#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9a n GLN 5 N 0.00 1.72 -2.15 0.38 6.02 -1.26 -5.01 117.38 117.08 1k9a n GLN 5 Ca 0.00 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1k9a n GLN 5 Cb 0.00 -1.13 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1k9a n GLN 5 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k9a s ALA 6 N -2.12 3.61 0.46 -1.58 0.00 -1.26 -4.97 121.76 115.90 1k9a s ALA 6 Ca -0.05 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.59 1k9a s ALA 6 Cb 0.02 -3.63 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1k9a s ALA 6 CO 0.18 -1.02 1.34 -1.13 0.00 0.00 0.00 175.76 175.13 1k9a n SER 7 N 5.69 2.84 -4.72 0.00 3.41 -1.26 -4.90 113.62 114.68 1k9a n SER 7 Ca 0.14 1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 59.41 1k9a n SER 7 Cb 0.43 -1.55 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 1k9a n SER 7 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1k9a n TRP 8 N -0.40 2.75 -2.04 7.33 8.01 -1.26 -4.97 117.44 126.86 1k9a n TRP 8 Ca 0.07 0.12 -0.33 0.00 -1.31 0.00 0.00 57.50 56.05 1k9a n TRP 8 Cb 0.41 -2.64 0.02 0.00 -2.01 0.00 0.00 31.31 27.09 1k9a n TRP 8 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 1k9a s PRO 9 N 0.64 3.22 0.41 -0.99 0.02 -1.26 -4.62 135.00 132.42 1k9a s PRO 9 Ca 0.72 1.33 -0.26 0.00 0.02 0.00 0.00 61.00 62.81 1k9a s PRO 9 Cb -0.51 -2.01 -0.10 0.00 0.02 0.00 0.00 34.50 31.90 1k9a s PRO 9 CO 0.38 -0.91 1.29 0.45 -0.33 0.00 0.00 177.00 177.88 1k9a n SER 10 N -1.93 2.64 0.00 2.53 2.88 -1.26 -1.72 113.62 116.76 1k9a n SER 10 Ca 0.10 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1k9a n SER 10 Cb 0.52 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1k9a n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9a n GLY 11 N 0.79 1.03 3.74 0.46 0.00 0.15 -4.98 105.19 106.38 1k9a n GLY 11 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 3.49 -0.15 2.61 2.01 -0.70 -4.73 115.64 115.52 1k9a s THR 12 Ca 0.00 1.27 -0.08 0.00 0.31 0.00 0.00 61.69 63.18 1k9a s THR 12 Cb 0.00 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1k9a s THR 12 CO 0.00 0.21 0.14 -0.70 -0.69 0.00 0.00 174.62 173.58 1k9a s GLU 13 N -0.33 3.78 0.03 4.92 2.12 -1.26 -0.15 118.70 127.80 1k9a s GLU 13 Ca 0.53 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.71 1k9a s GLU 13 Cb -0.33 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1k9a s GLU 13 CO 0.38 0.56 -0.07 0.00 -0.54 0.00 0.00 175.26 175.59 1k9a s ILE 15 N -1.03 4.10 0.13 0.00 2.07 -0.20 0.35 121.20 126.62 1k9a s ILE 15 Ca -0.07 -0.62 -0.30 0.00 -1.41 0.00 0.00 60.65 58.25 1k9a s ILE 15 Cb -0.08 -2.83 -0.07 0.00 0.13 0.00 0.00 42.46 39.62 1k9a s ILE 15 CO 0.00 0.37 1.22 0.00 -1.91 0.00 0.00 174.94 174.62 1k9a s ALA 16 N -1.08 3.43 -0.14 1.50 0.00 0.11 -0.38 121.76 125.20 1k9a s ALA 16 Ca 0.19 0.92 0.19 0.00 0.00 0.00 0.00 51.96 53.26 1k9a s ALA 16 Cb -0.11 -3.44 -0.15 0.00 0.00 0.00 0.00 23.12 19.42 1k9a s ALA 16 CO 0.10 -0.42 0.75 1.63 0.00 0.00 0.00 175.76 177.82 1k9a n LYS 17 N 3.23 0.63 -4.16 0.00 5.02 0.73 -1.05 118.16 122.57 1k9a n LYS 17 Ca 0.07 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.32 1k9a n LYS 17 Cb 0.45 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1k9a n LYS 17 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k9a n TYR 18 N -2.76 -1.17 -3.18 2.13 4.01 -1.24 -4.84 117.16 110.10 1k9a n TYR 18 Ca -0.09 -2.63 -0.32 0.00 -0.16 0.00 0.00 57.90 54.70 1k9a n TYR 18 Cb 0.78 0.44 -0.05 0.00 -0.31 0.00 0.00 39.34 40.20 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 -3.30 6.70 -0.10 7.72 0.01 -1.26 -2.88 114.94 121.83 1k9a s ASN 19 Ca 0.35 1.15 -0.00 0.00 -0.71 0.00 0.00 52.86 53.65 1k9a s ASN 19 Cb 0.00 -2.32 0.02 0.00 0.41 0.00 0.00 41.25 39.36 1k9a s ASN 19 CO 0.25 -0.20 -0.07 0.12 -1.51 0.00 0.00 177.10 175.69 1k9a s PHE 20 N -1.99 1.36 -2.17 2.20 5.36 0.24 -4.92 117.98 118.06 1k9a s PHE 20 Ca 0.52 -0.62 0.21 0.00 -0.96 0.00 0.00 56.93 56.08 1k9a s PHE 20 Cb -0.10 -1.13 0.41 0.00 -0.34 0.00 0.00 43.02 41.86 1k9a s PHE 20 CO 0.20 -0.44 1.36 0.72 -1.46 0.00 0.00 175.22 175.60 1k9a n HIS 21 N 4.74 0.52 -0.16 10.12 8.25 -1.26 -2.18 115.22 135.24 1k9a n HIS 21 Ca -0.14 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.03 1k9a n HIS 21 Cb 0.50 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 1.36 -3.38 0.00 -1.41 0.00 -1.26 -4.91 105.19 95.58 1k9a n GLY 22 Ca 0.18 -0.98 0.06 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.56 0.00 -4.00 2.61 -2.24 -1.26 -5.03 114.28 103.79 1k9a n THR 23 Ca 0.00 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1k9a n THR 23 Cb 0.00 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1k9a n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a s ALA 24 N -2.42 -0.00 0.53 6.98 0.00 -1.26 -5.04 121.76 120.54 1k9a s ALA 24 Ca 0.01 -0.97 0.25 0.00 0.00 0.00 0.00 51.96 51.25 1k9a s ALA 24 Cb 0.09 1.05 1.56 0.00 0.00 0.00 0.00 23.12 25.82 1k9a s ALA 24 CO 0.50 -0.76 2.17 1.49 0.00 0.00 0.00 175.76 179.16 1k9a h GLU 25 N 2.38 0.00 -0.00 0.00 4.81 -2.01 -1.96 114.58 117.80 1k9a h GLU 25 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1k9a h GLU 25 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1k9a h GLU 25 CO 0.41 0.04 -0.08 0.00 -0.73 0.00 0.00 179.01 178.66 1k9a n GLN 26 N -3.98 0.32 -2.40 1.92 10.64 -1.26 -4.91 117.38 117.71 1k9a n GLN 26 Ca -0.03 -0.06 -0.33 0.00 -1.83 0.00 0.00 57.00 54.75 1k9a n GLN 26 Cb 0.13 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.99 1k9a n GLN 26 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1k9a s ASP 27 N -2.72 6.25 -0.38 2.61 1.01 -0.74 -1.06 116.67 121.65 1k9a s ASP 27 Ca 0.22 1.84 -0.09 0.00 0.71 0.00 0.00 52.55 55.23 1k9a s ASP 27 Cb 0.20 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.62 1k9a s ASP 27 CO 0.51 -0.84 0.19 -0.22 0.21 0.00 0.00 175.17 175.02 1k9a s LEU 28 N -3.83 4.73 0.46 1.23 2.96 0.15 -4.59 118.68 119.79 1k9a s LEU 28 Ca 0.65 -1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 1k9a s LEU 28 Cb -0.15 -1.98 -0.09 0.00 0.50 0.00 0.00 46.19 44.47 1k9a s LEU 28 CO 0.26 -0.41 1.03 -2.84 -1.32 0.00 0.00 176.35 173.07 1k9a s PRO 29 N 1.49 3.92 0.22 0.98 0.02 -1.26 -4.74 135.00 135.62 1k9a s PRO 29 Ca 0.01 1.37 -0.13 0.00 0.02 0.00 0.00 61.00 62.27 1k9a s PRO 29 Cb -0.20 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.12 1k9a s PRO 29 CO 0.05 -0.33 0.44 -0.59 -0.33 0.00 0.00 177.00 176.24 1k9a s PHE 30 N -1.93 0.28 0.07 6.54 -0.12 -0.93 -4.99 117.98 116.90 1k9a s PHE 30 Ca 0.65 -0.63 0.04 0.00 -0.05 0.00 0.00 56.93 56.94 1k9a s PHE 30 Cb -0.17 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.36 1k9a s PHE 30 CO 0.21 -0.92 -0.02 0.00 -0.05 0.00 0.00 175.22 174.44 1k9a n LYS 32 N 0.85 1.43 -0.02 0.00 4.81 -1.14 -0.71 118.16 123.38 1k9a n LYS 32 Ca -0.12 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1k9a n LYS 32 Cb 0.52 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.37 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 2.90 0.33 3.78 3.14 0.00 -0.21 -4.95 105.19 110.18 1k9a n GLY 33 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1k9a n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9a s ASP 34 N -2.36 6.53 -0.20 1.61 1.01 0.12 -4.64 116.67 118.73 1k9a s ASP 34 Ca 0.00 2.04 -0.10 0.00 0.71 0.00 0.00 52.55 55.20 1k9a s ASP 34 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1k9a s ASP 34 CO 0.00 -0.65 0.13 -0.69 0.21 0.00 0.00 175.17 174.17 1k9a s VAL 35 N -1.74 5.39 0.00 -1.27 1.01 -1.26 0.08 120.40 122.61 1k9a s VAL 35 Ca 0.62 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1k9a s VAL 35 Cb -0.21 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1k9a s VAL 35 CO 0.26 0.43 -0.19 -0.76 0.00 0.00 0.00 175.10 174.84 1k9a s LEU 36 N 0.44 2.08 -0.14 3.92 1.43 0.15 -4.24 118.68 122.33 1k9a s LEU 36 Ca 0.08 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1k9a s LEU 36 Cb -0.11 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1k9a s LEU 36 CO -0.01 0.20 0.10 -0.89 0.23 0.00 0.00 176.35 175.98 1k9a s THR 37 N -0.57 5.15 -0.11 5.49 2.01 0.28 -0.76 115.64 127.14 1k9a s THR 37 Ca 0.07 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1k9a s THR 37 Cb -0.08 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1k9a s THR 37 CO 0.00 0.55 1.09 -0.63 -0.69 0.00 0.00 174.62 174.94 1k9a s ILE 38 N -0.45 4.57 -0.16 1.82 -1.09 0.79 -0.04 121.20 126.64 1k9a s ILE 38 Ca 0.11 1.87 -0.16 0.00 -2.23 0.00 0.00 60.65 60.24 1k9a s ILE 38 Cb -0.12 -4.20 -0.12 0.00 -1.58 0.00 0.00 42.46 36.44 1k9a s ILE 38 CO 0.02 -0.03 0.13 0.58 -1.23 0.00 0.00 174.94 174.41 1k9a h VAL 39 N 5.14 0.62 -1.59 2.92 2.07 -0.98 0.42 116.25 124.85 1k9a h VAL 39 Ca -0.30 -1.67 0.12 0.00 0.82 0.00 0.00 66.70 65.67 1k9a h VAL 39 Cb 1.14 1.37 -0.22 0.00 -1.52 0.00 0.00 31.29 32.06 1k9a h VAL 39 CO 0.89 0.21 0.61 0.00 0.02 0.00 0.00 177.57 179.30 1k9a s ALA 40 N -2.49 -1.95 0.52 1.67 0.00 -0.77 -4.43 121.76 114.31 1k9a s ALA 40 Ca -0.20 1.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.14 1k9a s ALA 40 Cb 0.03 -0.62 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 1k9a s ALA 40 CO 0.41 -0.37 1.01 0.54 0.00 0.00 0.00 175.76 177.35 1k9a s VAL 41 N -1.47 4.12 0.26 0.00 0.11 -1.26 0.57 120.40 122.74 1k9a s VAL 41 Ca 0.01 1.13 0.02 0.00 -2.93 0.00 0.00 61.98 60.22 1k9a s VAL 41 Cb -0.01 -3.54 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 1k9a s VAL 41 CO -0.01 -0.47 0.36 0.35 -3.33 0.00 0.00 175.10 171.99 1k9a n THR 42 N -1.43 0.00 0.26 5.04 -2.24 -0.62 -4.81 114.28 110.49 1k9a n THR 42 Ca 0.08 -0.75 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 1k9a n THR 42 Cb 0.53 -0.94 0.72 0.00 -2.10 0.00 0.00 70.33 68.54 1k9a n THR 42 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1k9a h LYS 43 N 0.00 0.00 -4.99 -0.78 1.57 -1.97 -3.37 116.57 107.02 1k9a h LYS 43 Ca -0.12 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.00 1k9a h LYS 43 Cb 0.51 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.66 1k9a h LYS 43 CO 0.16 0.08 -0.26 0.34 -0.57 0.00 0.00 179.45 179.20 1k9a s ASP 44 N -6.49 6.20 0.66 0.86 -1.08 -1.26 -4.95 116.67 110.60 1k9a s ASP 44 Ca -0.04 -0.18 0.32 0.00 -0.52 0.00 0.00 52.55 52.13 1k9a s ASP 44 Cb 0.15 -2.21 1.76 0.00 -1.46 0.00 0.00 42.92 41.16 1k9a s ASP 44 CO 0.61 -0.34 2.01 -0.65 0.52 0.00 0.00 175.17 177.31 1k9a h PRO 45 N 8.45 0.00 -0.00 4.34 0.11 -1.99 -0.08 132.00 142.82 1k9a h PRO 45 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1k9a h PRO 45 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1k9a h PRO 45 CO 0.70 0.00 -0.13 0.09 -0.21 0.00 0.00 178.00 178.44 1k9a n ASN 46 N -3.05 0.21 -4.20 -2.05 3.02 -1.26 -4.85 115.26 103.09 1k9a n ASN 46 Ca -0.01 0.03 -0.24 0.00 -0.03 0.00 0.00 54.58 54.32 1k9a n ASN 46 Cb 0.35 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.15 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 -2.84 1.62 0.12 3.10 0.52 -0.05 -1.09 118.94 120.33 1k9a s TRP 47 Ca 0.18 -0.33 0.05 0.00 0.02 0.00 0.00 56.10 56.02 1k9a s TRP 47 Cb 0.19 -1.00 -0.04 0.00 -1.15 0.00 0.00 33.47 31.47 1k9a s TRP 47 CO 0.55 0.02 -0.12 0.71 0.02 0.00 0.00 176.95 178.13 1k9a s TYR 48 N -0.61 1.30 -0.19 -1.98 1.51 0.08 -1.60 117.35 115.86 1k9a s TYR 48 Ca 0.06 -0.62 -0.12 0.00 -1.01 0.00 0.00 57.07 55.38 1k9a s TYR 48 Cb -0.08 -0.68 -0.05 0.00 -0.11 0.00 0.00 41.96 41.05 1k9a s TYR 48 CO 0.00 0.10 0.22 0.21 -1.11 0.00 0.00 175.55 174.98 1k9a s LYS 49 N -2.94 4.20 0.22 -0.62 2.20 0.19 0.48 119.74 123.46 1k9a s LYS 49 Ca 0.10 -0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.65 1k9a s LYS 49 Cb -0.03 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1k9a s LYS 49 CO 0.02 0.20 0.05 0.00 -0.36 0.00 0.00 175.35 175.26 1k9a s ALA 50 N 0.61 1.55 -0.04 3.13 0.00 0.16 -0.31 121.76 126.86 1k9a s ALA 50 Ca 0.12 -1.73 0.06 0.00 0.00 0.00 0.00 51.96 50.41 1k9a s ALA 50 Cb -0.12 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1k9a s ALA 50 CO 0.02 -0.39 -0.22 0.21 0.00 0.00 0.00 175.76 175.39 1k9a s LYS 51 N -3.98 2.01 0.48 0.00 2.20 0.95 -1.77 119.74 119.63 1k9a s LYS 51 Ca 0.31 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 1k9a s LYS 51 Cb 0.07 -1.81 0.03 0.00 -1.51 0.00 0.00 37.83 34.61 1k9a s LYS 51 CO 0.09 0.39 0.65 0.54 -0.36 0.00 0.00 175.35 176.66 1k9a s ASN 52 N -0.27 5.46 0.00 1.43 2.20 -0.64 -0.56 114.94 122.56 1k9a s ASN 52 Ca 0.02 -0.45 0.00 0.00 -0.94 0.00 0.00 52.86 51.49 1k9a s ASN 52 Cb -0.11 -0.48 0.00 0.00 -2.00 0.00 0.00 41.25 38.66 1k9a s ASN 52 CO 0.01 -0.95 0.88 2.29 -2.94 0.00 0.00 177.10 176.38 1k9a n LYS 53 N -2.02 0.00 0.00 3.55 2.85 -1.26 -0.37 118.16 120.92 1k9a n LYS 53 Ca 0.10 0.38 0.07 0.00 -1.05 0.00 0.00 58.31 57.81 1k9a n LYS 53 Cb 0.60 -1.51 0.04 0.00 -0.65 0.00 0.00 35.03 33.51 1k9a n LYS 53 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1k9a n VAL 54 N -1.38 0.00 -0.12 0.58 3.14 -1.26 -4.98 118.33 114.31 1k9a n VAL 54 Ca 0.00 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1k9a n VAL 54 Cb 0.01 1.27 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 1k9a n VAL 54 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k9a n GLY 55 N 0.92 0.78 3.77 7.55 0.00 0.51 -5.06 105.19 113.65 1k9a n GLY 55 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.71 4.37 0.10 1.61 0.52 -1.26 -4.74 118.95 118.85 1k9a s ARG 56 Ca 0.00 1.99 0.09 0.00 -0.52 0.00 0.00 55.73 57.30 1k9a s ARG 56 Cb 0.00 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1k9a s ARG 56 CO 0.00 -0.10 -0.23 -1.21 0.02 0.00 0.00 175.30 173.78 1k9a s GLU 57 N -1.81 1.29 -0.07 3.54 2.02 -1.26 -1.63 118.70 120.79 1k9a s GLU 57 Ca 0.50 -1.21 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 1k9a s GLU 57 Cb -0.35 -1.62 0.10 0.00 0.10 0.00 0.00 34.13 32.36 1k9a s GLU 57 CO 0.46 0.39 1.34 0.20 0.02 0.00 0.00 175.26 177.67 1k9a s GLY 58 N -1.85 -0.20 -0.01 -1.39 0.00 -0.73 -4.82 107.32 98.33 1k9a s GLY 58 Ca 0.10 0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 1k9a s GLY 58 CO 0.05 6.17 0.77 -0.42 0.00 0.00 0.00 173.10 179.66 1k9a s ILE 59 N -2.02 4.88 0.04 0.90 -1.09 -0.22 -0.67 121.20 123.02 1k9a s ILE 59 Ca 0.31 1.61 0.04 0.00 -2.23 0.00 0.00 60.65 60.38 1k9a s ILE 59 Cb 0.00 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1k9a s ILE 59 CO -0.02 0.29 -0.12 0.27 -1.23 0.00 0.00 174.94 174.13 1k9a s ILE 60 N 0.44 0.93 -0.05 2.92 -4.36 0.18 -0.67 121.20 120.58 1k9a s ILE 60 Ca 0.40 -0.95 -0.29 0.00 -0.26 0.00 0.00 60.65 59.55 1k9a s ILE 60 Cb -0.19 -0.87 -0.02 0.00 1.25 0.00 0.00 42.46 42.63 1k9a s ILE 60 CO 0.22 -0.07 0.97 -2.16 0.24 0.00 0.00 174.94 174.14 1k9a s PRO 61 N -1.15 4.49 0.15 0.37 0.04 -1.26 -0.74 135.00 136.90 1k9a s PRO 61 Ca -0.01 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.15 1k9a s PRO 61 Cb -0.08 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.99 1k9a s PRO 61 CO 0.01 -0.17 1.60 0.00 0.04 0.00 0.00 177.00 178.48 1k9a h ALA 62 N 6.94 -0.30 -0.81 8.56 0.00 -1.44 -1.66 119.26 130.57 1k9a h ALA 62 Ca -0.36 0.07 0.23 0.00 0.00 0.00 0.00 54.91 54.85 1k9a h ALA 62 Cb 1.18 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1k9a h ALA 62 CO 0.80 -0.78 0.88 -0.91 0.00 0.00 0.00 179.25 179.23 1k9a h ASN 63 N -0.32 0.00 1.57 0.00 2.35 -1.93 0.15 115.58 117.41 1k9a h ASN 63 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1k9a h ASN 63 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1k9a h ASN 63 CO -0.49 0.00 -0.15 1.88 -1.65 0.00 0.00 177.43 177.02 1k9a h TYR 64 N 0.00 0.00 -2.41 1.19 -1.99 -1.69 -3.47 116.97 108.59 1k9a h TYR 64 Ca 0.38 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.51 1k9a h TYR 64 Cb 2.13 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 40.72 1k9a h TYR 64 CO 0.00 0.00 -0.75 0.14 -0.00 0.00 0.00 178.16 177.55 1k9a s VAL 65 N -3.17 2.70 -0.13 -2.88 -7.23 0.53 -0.19 120.40 110.02 1k9a s VAL 65 Ca 0.08 -2.20 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 1k9a s VAL 65 Cb 0.09 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.65 1k9a s VAL 65 CO 0.65 -0.33 -0.20 -1.58 -0.31 0.00 0.00 175.10 173.33 1k9a s GLN 66 N -3.37 2.83 0.26 4.82 2.00 0.48 -4.89 119.66 121.80 1k9a s GLN 66 Ca 0.28 -0.79 -0.31 0.00 -2.00 0.00 0.00 55.36 52.55 1k9a s GLN 66 Cb -0.06 -2.31 -0.11 0.00 0.80 0.00 0.00 33.01 31.32 1k9a s GLN 66 CO 0.15 -0.03 1.63 0.21 -0.50 0.00 0.00 175.29 176.75 1k9a s LYS 67 N 0.87 4.13 -0.13 1.67 2.20 -1.26 -1.03 119.74 126.18 1k9a s LYS 67 Ca -0.07 2.57 -0.08 0.00 -0.36 0.00 0.00 55.97 58.03 1k9a s LYS 67 Cb -0.15 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1k9a s LYS 67 CO -0.02 -0.66 0.15 0.50 -0.36 0.00 0.00 175.35 174.96 1k9a s ARG 68 N 0.11 3.60 0.25 4.03 3.52 0.36 -3.93 118.95 126.89 1k9a s ARG 68 Ca 0.67 -0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.98 1k9a s ARG 68 Cb -0.48 -3.24 0.01 0.00 -1.56 0.00 0.00 34.95 29.68 1k9a s ARG 68 CO 0.42 0.68 0.58 -1.83 -0.81 0.00 0.00 175.30 174.34 1k9a s GLU 69 N -0.76 1.60 0.56 5.12 -1.05 -0.73 -4.69 118.70 118.75 1k9a s GLU 69 Ca 0.14 -1.08 -0.20 0.00 -0.15 0.00 0.00 54.97 53.68 1k9a s GLU 69 Cb -0.12 0.53 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 1k9a s GLU 69 CO 0.03 -0.70 1.25 0.20 0.95 0.00 0.00 175.26 177.00 1k9a s GLY 70 N -2.95 2.81 -0.39 -3.83 0.00 -1.25 -4.82 107.32 96.89 1k9a s GLY 70 Ca 0.16 1.12 -0.14 0.00 0.00 0.00 0.00 44.72 45.85 1k9a s GLY 70 CO 0.06 1.56 0.29 0.14 0.00 0.00 0.00 173.10 175.15 1k9a s VAL 71 N -1.47 5.26 0.06 1.40 1.01 -1.26 -5.01 120.40 120.38 1k9a s VAL 71 Ca 0.73 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1k9a s VAL 71 Cb -0.34 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 1k9a s VAL 71 CO 0.38 -0.21 1.47 0.07 0.00 0.00 0.00 175.10 176.81 1k9a h LYS 72 N 8.59 0.33 0.00 2.72 -0.00 -1.93 -3.44 116.57 122.83 1k9a h LYS 72 Ca -0.28 -0.11 0.00 0.00 -0.00 0.00 0.00 60.65 60.25 1k9a h LYS 72 Cb 1.13 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 1k9a h LYS 72 CO 0.70 0.57 0.00 0.00 -0.00 0.00 0.00 179.45 180.72 1k9a n ALA 73 N -2.34 0.00 -0.63 0.07 0.00 -1.26 -4.93 120.51 111.42 1k9a n ALA 73 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1k9a n ALA 73 Cb 0.25 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1k9a n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9a n GLY 74 N -1.00 1.30 0.00 0.00 0.00 -1.26 -4.25 105.19 99.99 1k9a n GLY 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k9a n GLY 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9a n THR 75 N -2.00 0.00 1.59 2.61 -1.04 -1.26 -4.83 114.28 109.35 1k9a n THR 75 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1k9a n THR 75 Cb 0.00 0.00 0.62 0.00 -1.82 0.00 0.00 70.33 69.13 1k9a n THR 75 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1k9a n LYS 76 N 0.00 0.79 -3.47 -2.82 2.85 -1.26 -4.47 118.16 109.79 1k9a n LYS 76 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 1k9a n LYS 76 Cb 0.00 -1.41 -0.10 0.00 -0.65 0.00 0.00 35.03 32.87 1k9a n LYS 76 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1k9a s LEU 77 N -1.83 4.22 0.18 -5.58 2.96 -1.26 0.35 118.68 117.72 1k9a s LEU 77 Ca 0.32 -0.05 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 1k9a s LEU 77 Cb 0.14 -2.28 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1k9a s LEU 77 CO 0.24 -0.20 0.36 -0.55 -1.32 0.00 0.00 176.35 174.88 1k9a s SER 78 N 1.71 -0.04 0.00 3.68 0.15 -0.83 -4.81 113.70 113.56 1k9a s SER 78 Ca 0.11 -0.80 0.06 0.00 0.70 0.00 0.00 55.95 56.02 1k9a s SER 78 Cb -0.16 0.49 -0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1k9a s SER 78 CO 0.11 -0.96 0.50 0.18 1.20 0.00 0.00 173.24 174.27 1k9a n LEU 79 N -0.27 0.98 -3.68 3.45 4.77 -1.26 0.45 117.00 121.44 1k9a n LEU 79 Ca -0.07 -0.77 -0.28 0.00 -0.03 0.00 0.00 56.01 54.86 1k9a n LEU 79 Cb 0.63 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.60 1k9a n LEU 79 CO 0.22 0.21 -0.17 -0.04 -1.33 0.00 0.00 177.39 176.28 1k9a s MET 80 N -1.02 1.72 0.58 3.23 -1.94 -1.26 -4.94 119.30 115.66 1k9a s MET 80 Ca 0.05 -2.71 0.28 0.00 -1.71 0.00 0.00 55.69 51.60 1k9a s MET 80 Cb 0.05 -2.52 1.62 0.00 2.01 0.00 0.00 34.83 36.00 1k9a s MET 80 CO 0.16 -1.31 2.11 -1.00 -0.01 0.00 0.00 175.02 174.97 1k9a h PRO 81 N 5.65 0.00 -0.00 2.03 0.13 -1.97 0.75 132.00 138.58 1k9a h PRO 81 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1k9a h PRO 81 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1k9a h PRO 81 CO 0.56 0.00 -0.03 -2.67 -0.23 0.00 0.00 178.00 175.62 1k9a n TRP 82 N -3.90 0.00 -3.18 1.56 4.27 -1.26 -1.10 117.44 113.83 1k9a n TRP 82 Ca 0.02 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.24 1k9a n TRP 82 Cb 0.31 -0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 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 -2.17 3.75 -0.31 -2.67 5.36 0.26 -1.73 117.98 120.46 1k9a s PHE 83 Ca 0.39 1.30 0.03 0.00 -0.96 0.00 0.00 56.93 57.68 1k9a s PHE 83 Cb 0.21 -2.62 0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1k9a s PHE 83 CO 0.40 0.43 0.79 0.72 -1.46 0.00 0.00 175.22 176.09 1k9a n HIS 84 N 2.33 0.05 -4.56 10.12 8.25 0.18 -4.72 115.22 126.86 1k9a n HIS 84 Ca -0.07 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1k9a n HIS 84 Cb 0.51 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.00 1.11 2.31 -1.41 0.00 -1.26 -4.09 105.19 101.85 1k9a n GLY 85 Ca 0.02 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.13 1k9a n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9a n LYS 86 N 6.47 2.09 -3.62 1.61 4.01 -1.26 -2.32 118.16 125.14 1k9a n LYS 86 Ca 0.00 -1.24 -0.36 0.00 -0.51 0.00 0.00 58.31 56.20 1k9a n LYS 86 Cb 0.00 -2.22 -0.06 0.00 -0.51 0.00 0.00 35.03 32.24 1k9a n LYS 86 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1k9a s ILE 87 N 2.22 5.17 0.78 -0.18 1.01 -1.26 -5.01 121.20 123.92 1k9a s ILE 87 Ca 0.50 0.52 -0.11 0.00 0.00 0.00 0.00 60.65 61.56 1k9a s ILE 87 Cb 0.18 -3.62 0.06 0.00 0.01 0.00 0.00 42.46 39.09 1k9a s ILE 87 CO -0.02 0.47 1.09 0.42 0.00 0.00 0.00 174.94 176.90 1k9a s THR 88 N -1.20 3.21 0.24 2.92 -4.23 -1.26 -4.61 115.64 110.71 1k9a s THR 88 Ca 0.26 0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1k9a s THR 88 Cb -0.15 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.73 1k9a s THR 88 CO 0.14 -0.51 1.79 -0.09 -0.54 0.00 0.00 174.62 175.40 1k9a h ARG 89 N -1.01 0.67 0.00 3.99 2.43 -1.98 -2.15 114.38 116.33 1k9a h ARG 89 Ca -0.46 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 1k9a h ARG 89 Cb 1.26 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1k9a h ARG 89 CO 0.59 0.44 -0.53 1.05 -1.51 0.00 0.00 179.97 180.02 1k9a h GLU 90 N 0.69 0.00 -0.02 0.20 4.11 -1.99 -2.62 114.58 114.95 1k9a h GLU 90 Ca 0.38 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.73 1k9a h GLU 90 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1k9a h GLU 90 CO -0.27 0.53 -0.37 1.96 0.07 0.00 0.00 179.01 180.93 1k9a h GLN 91 N 0.00 0.03 -0.54 1.06 4.20 -1.82 0.13 115.11 118.18 1k9a h GLN 91 Ca -0.01 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1k9a h GLN 91 Cb 1.39 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1k9a h GLN 91 CO 0.07 0.40 0.04 0.00 -0.67 0.00 0.00 178.83 178.66 1k9a h ALA 92 N 1.60 1.06 -0.67 3.87 0.00 -1.19 -1.26 119.26 122.68 1k9a h ALA 92 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1k9a h ALA 92 Cb 0.67 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1k9a h ALA 92 CO 0.05 0.60 0.44 0.93 0.00 0.00 0.00 179.25 181.26 1k9a h GLU 93 N 0.83 0.88 0.10 0.00 4.39 -0.62 -2.41 114.58 117.74 1k9a h GLU 93 Ca 0.16 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1k9a h GLU 93 Cb 0.44 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1k9a h GLU 93 CO 0.02 0.59 -0.05 0.00 -1.16 0.00 0.00 179.01 178.41 1k9a h ARG 94 N 0.90 -0.13 -0.98 2.33 3.08 -1.00 -2.35 114.38 116.24 1k9a h ARG 94 Ca 0.24 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.51 1k9a h ARG 94 Cb -0.09 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 1k9a h ARG 94 CO -0.05 0.26 0.62 -0.07 -1.07 0.00 0.00 179.97 179.66 1k9a h LEU 95 N -0.55 0.61 -3.85 3.04 3.38 -1.17 0.56 115.31 117.34 1k9a h LEU 95 Ca -0.01 0.07 -0.48 0.00 0.09 0.00 0.00 57.88 57.56 1k9a h LEU 95 Cb 0.45 -0.03 -0.27 0.00 0.09 0.00 0.00 40.66 40.90 1k9a h LEU 95 CO 0.02 0.22 0.48 0.18 0.09 0.00 0.00 178.44 179.42 1k9a n LEU 96 N -4.65 6.27 0.00 1.67 4.77 -0.92 -4.88 117.00 119.27 1k9a n LEU 96 Ca 0.22 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 1k9a n LEU 96 Cb 0.66 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1k9a n LEU 96 CO 0.25 1.22 0.10 0.00 -1.33 0.00 0.00 177.39 177.63 1k9a n TYR 97 N -1.09 0.00 -1.34 -1.77 9.36 0.20 -4.29 117.16 118.23 1k9a n TYR 97 Ca 0.54 0.00 -0.55 0.00 3.32 0.00 0.00 57.90 61.21 1k9a n TYR 97 Cb 1.33 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.94 1k9a n TYR 97 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1k9a n PRO 98 N -0.21 0.37 -1.60 2.98 -0.02 -1.26 -4.67 135.00 130.59 1k9a n PRO 98 Ca 0.00 0.10 -0.53 0.00 -2.02 0.00 0.00 63.50 61.05 1k9a n PRO 98 Cb 0.00 -1.86 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 1k9a n PRO 98 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1k9a n PRO 99 N 7.84 1.08 -3.52 0.52 -0.02 -1.26 -4.98 135.00 134.67 1k9a n PRO 99 Ca 0.51 0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 62.25 1k9a n PRO 99 Cb 0.07 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 1k9a n PRO 99 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k9a s GLU 100 N 0.78 0.23 -0.07 -0.52 2.12 -1.26 -4.95 118.70 115.03 1k9a s GLU 100 Ca 0.86 0.53 -0.34 0.00 0.36 0.00 0.00 54.97 56.39 1k9a s GLU 100 Cb -0.98 -0.52 -0.11 0.00 0.26 0.00 0.00 34.13 32.77 1k9a s GLU 100 CO 0.49 -0.51 1.89 2.41 -0.54 0.00 0.00 175.26 179.01 1k9a n THR 101 N 5.35 0.60 0.00 -1.70 -1.04 -1.26 -1.75 114.28 114.48 1k9a n THR 101 Ca -0.05 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1k9a n THR 101 Cb 0.50 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 4.42 3.23 3.66 3.41 0.00 -0.91 -4.73 105.19 114.26 1k9a n GLY 102 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1k9a n GLY 102 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k9a n LEU 103 N 0.00 4.01 -4.35 0.99 7.94 -0.71 -2.00 117.00 122.88 1k9a n LEU 103 Ca 0.00 0.84 -0.21 0.00 -1.11 0.00 0.00 56.01 55.53 1k9a n LEU 103 Cb 0.00 -1.51 -0.08 0.00 0.53 0.00 0.00 43.42 42.35 1k9a n LEU 103 CO 0.00 0.09 -0.14 0.72 -1.11 0.00 0.00 177.39 176.95 1k9a s PHE 104 N 4.81 1.73 0.05 1.96 -0.12 -1.00 -0.47 117.98 124.94 1k9a s PHE 104 Ca 0.91 -1.54 -0.28 0.00 -0.05 0.00 0.00 56.93 55.96 1k9a s PHE 104 Cb -0.45 -0.84 0.09 0.00 -0.63 0.00 0.00 43.02 41.19 1k9a s PHE 104 CO 0.43 -0.69 1.05 -0.48 -0.05 0.00 0.00 175.22 175.47 1k9a s LEU 105 N -3.43 -0.18 0.01 -1.99 0.05 -0.59 -1.24 118.68 111.31 1k9a s LEU 105 Ca 0.36 -0.22 0.05 0.00 0.05 0.00 0.00 54.13 54.37 1k9a s LEU 105 Cb 0.03 1.87 -0.02 0.00 -2.05 0.00 0.00 46.19 46.02 1k9a s LEU 105 CO 0.23 -0.63 -0.15 -0.69 -0.55 0.00 0.00 176.35 174.56 1k9a s VAL 106 N -2.96 1.20 0.30 1.48 1.01 -0.71 -1.24 120.40 119.48 1k9a s VAL 106 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1k9a s VAL 106 Cb 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1k9a s VAL 106 CO -0.02 0.20 0.33 0.00 0.00 0.00 0.00 175.10 175.61 1k9a s ARG 107 N -0.72 1.66 0.26 2.72 1.70 -0.68 -0.65 118.95 123.24 1k9a s ARG 107 Ca 0.04 -1.78 -0.15 0.00 -0.47 0.00 0.00 55.73 53.38 1k9a s ARG 107 Cb -0.07 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 1k9a s ARG 107 CO 0.00 -0.64 0.66 -1.21 -1.08 0.00 0.00 175.30 173.04 1k9a s GLU 108 N -3.53 4.01 0.03 3.89 2.02 -0.98 -0.06 118.70 124.08 1k9a s GLU 108 Ca 0.35 0.60 -0.30 0.00 0.02 0.00 0.00 54.97 55.64 1k9a s GLU 108 Cb 0.02 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1k9a s GLU 108 CO 0.20 0.29 1.04 0.45 0.02 0.00 0.00 175.26 177.26 1k9a s SER 109 N -2.08 7.30 -0.11 -0.19 0.15 0.17 -4.66 113.70 114.27 1k9a s SER 109 Ca 0.48 1.78 -0.22 0.00 0.70 0.00 0.00 55.95 58.69 1k9a s SER 109 Cb -0.12 -2.58 -0.19 0.00 -1.71 0.00 0.00 66.02 61.42 1k9a s SER 109 CO 0.19 -0.30 0.70 0.71 1.20 0.00 0.00 173.24 175.74 1k9a h THR 110 N 4.62 1.28 -0.07 6.45 1.35 -1.92 -3.32 112.91 121.30 1k9a h THR 110 Ca -0.41 -1.79 -0.13 0.00 -0.55 0.00 0.00 66.41 63.53 1k9a h THR 110 Cb 1.22 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.97 1k9a h THR 110 CO 0.76 0.41 -0.52 0.78 -0.25 0.00 0.00 175.52 176.70 1k9a h ASN 111 N -0.93 0.22 -2.38 5.36 2.35 -1.98 -3.33 115.58 114.89 1k9a h ASN 111 Ca -0.00 -0.11 -0.66 0.00 -0.55 0.00 0.00 56.30 54.98 1k9a h ASN 111 Cb 0.70 -0.06 -0.38 0.00 0.05 0.00 0.00 38.32 38.62 1k9a h ASN 111 CO 0.01 0.70 -0.22 -1.22 -1.65 0.00 0.00 177.43 175.05 1k9a n TYR 112 N -3.93 3.31 -1.17 1.19 4.01 -1.26 -5.07 117.16 114.23 1k9a n TYR 112 Ca -0.02 -3.73 -0.44 0.00 -0.16 0.00 0.00 57.90 53.56 1k9a n TYR 112 Cb 0.55 -0.74 -0.05 0.00 -0.31 0.00 0.00 39.34 38.80 1k9a n TYR 112 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1k9a n PRO 113 N 0.90 0.00 0.00 -0.72 -0.02 -1.25 -0.54 135.00 133.37 1k9a n PRO 113 Ca 0.29 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1k9a n PRO 113 Cb 0.39 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 1k9a n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k9a n GLY 114 N 1.38 2.81 3.92 -1.23 0.00 -1.26 -5.02 105.19 105.79 1k9a n GLY 114 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1k9a n GLY 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9a s ASP 115 N 0.62 4.71 0.36 1.61 1.01 0.30 -4.70 116.67 120.59 1k9a s ASP 115 Ca 0.00 0.59 0.08 0.00 0.71 0.00 0.00 52.55 53.93 1k9a s ASP 115 Cb 0.00 -1.18 -0.07 0.00 1.01 0.00 0.00 42.92 42.68 1k9a s ASP 115 CO 0.00 -1.71 -0.05 -0.31 0.21 0.00 0.00 175.17 173.31 1k9a s TYR 116 N -3.37 2.40 -0.05 4.23 1.51 -0.87 0.42 117.35 121.62 1k9a s TYR 116 Ca 0.61 -0.59 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1k9a s TYR 116 Cb -0.11 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1k9a s TYR 116 CO 0.46 0.50 -0.03 0.99 -1.11 0.00 0.00 175.55 176.36 1k9a s THR 117 N -2.70 0.42 -0.27 -0.71 2.01 0.92 0.10 115.64 115.42 1k9a s THR 117 Ca 0.33 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 1k9a s THR 117 Cb 0.06 -0.49 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 1k9a s THR 117 CO 0.17 0.21 0.49 -0.22 -0.69 0.00 0.00 174.62 174.58 1k9a s LEU 118 N 1.15 4.07 -0.27 4.42 2.96 0.18 -1.69 118.68 129.50 1k9a s LEU 118 Ca -0.08 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1k9a s LEU 118 Cb -0.14 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.94 1k9a s LEU 118 CO -0.01 -0.29 0.03 0.00 -1.32 0.00 0.00 176.35 174.76 1k9a s VAL 120 N 1.46 1.52 0.07 0.00 1.01 -0.09 -1.54 120.40 122.83 1k9a s VAL 120 Ca 0.02 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1k9a s VAL 120 Cb -0.17 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1k9a s VAL 120 CO 0.00 0.44 1.09 -0.55 0.00 0.00 0.00 175.10 176.08 1k9a s SER 121 N 0.40 7.24 -0.26 3.32 0.15 0.39 -0.04 113.70 124.90 1k9a s SER 121 Ca -0.13 1.90 -0.14 0.00 0.70 0.00 0.00 55.95 58.28 1k9a s SER 121 Cb -0.16 -2.58 0.08 0.00 -1.71 0.00 0.00 66.02 61.65 1k9a s SER 121 CO 0.05 -0.32 0.62 0.00 1.20 0.00 0.00 173.24 174.79 1k9a n GLU 123 N 4.41 -4.66 -1.16 0.00 1.02 -1.26 -1.64 120.64 117.35 1k9a n GLU 123 Ca -0.20 0.53 -0.05 0.00 -0.02 0.00 0.00 57.16 57.41 1k9a n GLU 123 Cb 0.57 -5.26 -0.02 0.00 -0.02 0.00 0.00 31.44 26.70 1k9a n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9a n GLY 124 N -1.64 0.78 3.32 0.62 0.00 -1.26 -5.01 105.19 102.01 1k9a n GLY 124 Ca -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1k9a n GLY 124 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9a s LYS 125 N -2.08 0.66 -0.05 1.61 -2.85 -0.65 -4.92 119.74 111.46 1k9a s LYS 125 Ca 0.00 0.23 -0.27 0.00 -1.00 0.00 0.00 55.97 54.93 1k9a s LYS 125 Cb 0.00 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.05 1k9a s LYS 125 CO 0.00 -0.15 0.86 0.08 0.10 0.00 0.00 175.35 176.24 1k9a s VAL 126 N -0.63 4.93 -0.24 1.79 1.01 -1.26 -0.83 120.40 125.16 1k9a s VAL 126 Ca -0.07 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.57 1k9a s VAL 126 Cb -0.04 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1k9a s VAL 126 CO 0.04 0.17 0.26 -1.61 0.00 0.00 0.00 175.10 173.95 1k9a s GLU 127 N 1.13 4.07 -0.36 2.72 0.41 0.95 -4.92 118.70 122.69 1k9a s GLU 127 Ca 0.45 -0.11 -0.11 0.00 -0.41 0.00 0.00 54.97 54.79 1k9a s GLU 127 Cb -0.19 -3.57 0.02 0.00 -1.78 0.00 0.00 34.13 28.61 1k9a s GLU 127 CO 0.22 -0.05 0.20 -1.01 -0.49 0.00 0.00 175.26 174.13 1k9a s HIS 128 N 1.37 3.23 -0.26 1.61 3.76 -1.26 -0.91 115.29 122.84 1k9a s HIS 128 Ca 0.11 -0.88 -0.08 0.00 -0.15 0.00 0.00 55.06 54.06 1k9a s HIS 128 Cb -0.14 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1k9a s HIS 128 CO 0.07 -0.61 0.11 0.71 -0.85 0.00 0.00 174.74 174.17 1k9a s TYR 129 N 1.57 3.12 0.23 1.40 1.51 0.23 -4.93 117.35 120.49 1k9a s TYR 129 Ca 0.03 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1k9a s TYR 129 Cb -0.19 -2.28 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 1k9a s TYR 129 CO 0.07 -0.30 1.26 0.50 -1.11 0.00 0.00 175.55 175.96 1k9a s ARG 130 N 1.66 4.43 -0.36 -0.62 3.52 -1.26 0.50 118.95 126.83 1k9a s ARG 130 Ca 0.07 2.01 -0.02 0.00 -0.13 0.00 0.00 55.73 57.66 1k9a s ARG 130 Cb -0.15 -3.18 0.08 0.00 -1.56 0.00 0.00 34.95 30.14 1k9a s ARG 130 CO 0.06 -0.15 0.11 0.42 -0.81 0.00 0.00 175.30 174.92 1k9a s ILE 131 N -0.29 3.05 0.14 4.11 1.01 0.29 -4.54 121.20 124.97 1k9a s ILE 131 Ca 0.53 -1.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.04 1k9a s ILE 131 Cb -0.36 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 1k9a s ILE 131 CO 0.41 -0.45 1.61 -0.04 0.00 0.00 0.00 174.94 176.47 1k9a s MET 132 N 1.16 4.20 -0.42 2.79 -1.94 -0.04 -2.04 119.30 123.01 1k9a s MET 132 Ca 0.03 2.37 -0.01 0.00 -1.71 0.00 0.00 55.69 56.37 1k9a s MET 132 Cb -0.21 -3.30 0.11 0.00 2.01 0.00 0.00 34.83 33.44 1k9a s MET 132 CO -0.03 -0.66 0.20 -0.47 -0.01 0.00 0.00 175.02 174.05 1k9a s TYR 133 N 1.66 3.59 -0.09 -0.03 5.04 -1.25 -2.09 117.35 124.19 1k9a s TYR 133 Ca 0.72 -2.57 -0.14 0.00 -2.44 0.00 0.00 57.07 52.64 1k9a s TYR 133 Cb -0.43 -3.16 0.03 0.00 0.35 0.00 0.00 41.96 38.75 1k9a s TYR 133 CO 0.32 -0.95 0.35 -1.58 -1.34 0.00 0.00 175.55 172.34 1k9a s HIS 134 N 0.95 -0.32 -1.36 4.97 2.46 -0.60 -4.77 115.29 116.61 1k9a s HIS 134 Ca 0.10 0.70 -0.07 0.00 0.47 0.00 0.00 55.06 56.25 1k9a s HIS 134 Cb -0.22 0.12 0.03 0.00 -0.13 0.00 0.00 32.58 32.38 1k9a s HIS 134 CO -0.05 -0.28 1.02 0.00 -2.47 0.00 0.00 174.74 172.96 1k9a n ALA 135 N 2.22 -1.57 -3.15 1.58 0.00 -1.26 -1.84 120.51 116.49 1k9a n ALA 135 Ca -0.16 0.16 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1k9a n ALA 135 Cb 0.57 -4.02 0.02 0.00 0.00 0.00 0.00 19.45 16.02 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 -3.00 -5.31 -4.06 0.00 7.64 -1.26 -4.96 113.62 102.67 1k9a n SER 136 Ca -0.10 -0.33 -0.10 0.00 1.01 0.00 0.00 58.87 59.35 1k9a n SER 136 Cb 0.59 -4.31 -0.07 0.00 -1.01 0.00 0.00 64.21 59.41 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 -5.83 1.34 -0.02 1.43 1.02 -0.76 -4.76 119.74 112.15 1k9a s LYS 137 Ca 0.34 -1.36 0.03 0.00 0.02 0.00 0.00 55.97 55.00 1k9a s LYS 137 Cb -0.16 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1k9a s LYS 137 CO 0.43 -0.51 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.75 1k9a s LEU 138 N -3.05 1.85 -0.06 3.17 1.43 0.31 -1.56 118.68 120.76 1k9a s LEU 138 Ca 0.27 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 1k9a s LEU 138 Cb 0.03 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.78 1k9a s LEU 138 CO 0.08 0.08 0.56 -0.55 0.23 0.00 0.00 176.35 176.75 1k9a s SER 139 N 0.09 -0.52 -0.11 2.29 0.15 -0.89 -0.20 113.70 114.50 1k9a s SER 139 Ca -0.01 0.59 0.08 0.00 0.70 0.00 0.00 55.95 57.30 1k9a s SER 139 Cb -0.07 0.55 -0.12 0.00 -1.71 0.00 0.00 66.02 64.66 1k9a s SER 139 CO 0.00 -0.52 0.00 -0.38 1.20 0.00 0.00 173.24 173.55 1k9a n ILE 140 N 1.21 0.74 0.28 6.45 5.41 -1.26 -0.86 119.36 131.33 1k9a n ILE 140 Ca -0.19 -0.42 0.03 0.00 1.00 0.00 0.00 62.75 63.17 1k9a n ILE 140 Cb 0.57 -0.77 0.02 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.50 1.49 -2.73 4.38 5.68 -1.26 -4.92 116.55 116.69 1k9a n ASP 141 Ca -0.19 -1.24 -0.20 0.00 -0.50 0.00 0.00 54.79 52.65 1k9a n ASP 141 Cb 0.83 0.05 0.01 0.00 -1.14 0.00 0.00 41.12 40.87 1k9a n ASP 141 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1k9a n GLU 142 N 0.29 -3.13 0.00 0.11 1.02 -1.26 -4.79 120.64 112.88 1k9a n GLU 142 Ca 0.04 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1k9a n GLU 142 Cb 0.16 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 25.99 1k9a n GLU 142 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k9a n GLU 143 N -3.43 2.11 -4.50 3.49 1.02 -1.26 -5.01 120.64 113.06 1k9a n GLU 143 Ca -0.16 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.75 1k9a n GLU 143 Cb 0.64 -0.93 -0.16 0.00 -0.02 0.00 0.00 31.44 30.96 1k9a n GLU 143 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1k9a s VAL 144 N -1.86 0.99 0.33 2.62 -7.23 -1.26 -5.15 120.40 108.84 1k9a s VAL 144 Ca 0.00 -0.41 0.09 0.00 -1.81 0.00 0.00 61.98 59.86 1k9a s VAL 144 Cb 0.00 -0.91 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 1k9a s VAL 144 CO 0.00 0.32 0.00 -0.31 -0.31 0.00 0.00 175.10 174.80 1k9a s TYR 145 N 0.63 2.55 0.14 2.82 1.51 -1.26 -4.46 117.35 119.28 1k9a s TYR 145 Ca -0.12 -0.42 -0.07 0.00 -1.01 0.00 0.00 57.07 55.45 1k9a s TYR 145 Cb -0.15 -1.44 -0.02 0.00 -0.11 0.00 0.00 41.96 40.24 1k9a s TYR 145 CO 0.03 0.50 0.21 -0.06 -1.11 0.00 0.00 175.55 175.12 1k9a s PHE 146 N -2.50 0.47 -0.21 2.71 0.40 0.72 -4.94 117.98 114.63 1k9a s PHE 146 Ca 0.34 -0.85 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1k9a s PHE 146 Cb -0.01 -0.16 -0.21 0.00 0.51 0.00 0.00 43.02 43.15 1k9a s PHE 146 CO 0.19 -0.64 -0.01 0.39 0.70 0.00 0.00 175.22 175.84 1k9a n GLU 147 N -0.16 0.67 -4.23 0.44 1.02 -1.26 -0.53 120.64 116.60 1k9a n GLU 147 Ca -0.08 0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 57.05 1k9a n GLU 147 Cb 0.63 -1.57 -0.10 0.00 -0.02 0.00 0.00 31.44 30.38 1k9a n GLU 147 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k9a s ASN 148 N -6.33 1.71 0.48 1.62 2.20 -1.26 -4.28 114.94 109.09 1k9a s ASN 148 Ca -0.25 -0.93 0.13 0.00 -0.94 0.00 0.00 52.86 50.87 1k9a s ASN 148 Cb 0.08 -0.01 1.13 0.00 -2.00 0.00 0.00 41.25 40.44 1k9a s ASN 148 CO 0.69 -0.29 2.11 -0.07 -2.94 0.00 0.00 177.10 176.60 1k9a h LEU 149 N 3.09 0.17 -0.69 3.54 3.38 -1.76 -1.30 115.31 121.75 1k9a h LEU 149 Ca -0.37 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1k9a h LEU 149 Cb 1.19 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1k9a h LEU 149 CO 0.59 0.12 0.37 0.24 0.09 0.00 0.00 178.44 179.85 1k9a h MET 150 N 0.21 0.64 -0.54 1.13 2.86 -1.86 0.47 114.93 117.84 1k9a h MET 150 Ca 0.07 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1k9a h MET 150 Cb 0.04 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1k9a h MET 150 CO -0.01 0.42 0.35 1.96 1.06 0.00 0.00 176.91 180.69 1k9a h GLN 151 N 0.66 0.71 0.58 1.72 4.20 -1.23 0.62 115.11 122.37 1k9a h GLN 151 Ca 0.32 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.96 1k9a h GLN 151 Cb 0.26 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.88 1k9a h GLN 151 CO -0.22 0.47 -0.28 1.25 -0.67 0.00 0.00 178.83 179.39 1k9a h LEU 152 N 0.73 -0.66 -0.90 1.46 6.46 -1.08 -1.80 115.31 119.52 1k9a h LEU 152 Ca 0.20 0.02 0.21 0.00 -0.12 0.00 0.00 57.88 58.19 1k9a h LEU 152 Cb -0.08 0.17 -0.12 0.00 -0.73 0.00 0.00 40.66 39.90 1k9a h LEU 152 CO -0.04 -0.35 0.42 0.58 -0.62 0.00 0.00 178.44 178.43 1k9a h VAL 153 N -1.00 0.52 -0.41 1.05 2.07 -0.09 0.46 116.25 118.84 1k9a h VAL 153 Ca -0.08 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1k9a h VAL 153 Cb 0.59 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1k9a h VAL 153 CO 0.13 0.08 0.26 -0.08 0.02 0.00 0.00 177.57 177.99 1k9a h GLU 154 N 0.45 0.52 0.24 1.57 4.22 -0.84 -0.41 114.58 120.34 1k9a h GLU 154 Ca 0.56 -0.03 0.01 0.00 0.08 0.00 0.00 59.36 59.97 1k9a h GLU 154 Cb 1.02 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1k9a h GLU 154 CO -0.50 0.34 -0.41 1.25 -2.18 0.00 0.00 179.01 177.51 1k9a h HIS 155 N 0.54 -1.14 0.00 0.92 2.76 0.80 -2.28 115.15 116.74 1k9a h HIS 155 Ca 0.16 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1k9a h HIS 155 Cb -0.04 0.47 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1k9a h HIS 155 CO -0.06 -0.53 0.00 0.66 -1.30 0.00 0.00 177.93 176.70 1k9a n TYR 156 N -5.48 0.00 0.08 5.26 4.02 -0.68 -1.84 117.16 118.52 1k9a n TYR 156 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.79 1k9a n TYR 156 Cb 0.39 -0.28 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1k9a n TYR 156 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1k9a h THR 157 N 0.00 1.04 0.07 -0.72 2.02 -0.52 0.90 112.91 115.71 1k9a h THR 157 Ca 0.00 -2.58 -0.24 0.00 0.77 0.00 0.00 66.41 64.36 1k9a h THR 157 Cb 0.21 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1k9a h THR 157 CO 0.00 0.59 -1.12 0.74 0.37 0.00 0.00 175.52 176.11 1k9a h THR 158 N 0.00 1.57 -1.57 3.16 2.02 -0.93 -3.40 112.91 113.75 1k9a h THR 158 Ca -0.06 -3.12 0.07 0.00 0.77 0.00 0.00 66.41 64.08 1k9a h THR 158 Cb 1.59 2.85 -0.27 0.00 -1.74 0.00 0.00 68.15 70.59 1k9a h THR 158 CO 0.08 0.90 0.47 -0.62 0.37 0.00 0.00 175.52 176.72 1k9a s ASP 159 N -6.99 -0.44 0.30 4.18 -1.08 -1.13 -5.05 116.67 106.46 1k9a s ASP 159 Ca -0.02 0.83 0.05 0.00 -0.52 0.00 0.00 52.55 52.88 1k9a s ASP 159 Cb 0.08 0.88 0.69 0.00 -1.46 0.00 0.00 42.92 43.11 1k9a s ASP 159 CO 0.86 -0.14 1.81 0.00 0.52 0.00 0.00 175.17 178.22 1k9a h ALA 160 N 4.40 1.65 -6.85 3.66 0.00 -1.82 -3.37 119.26 116.93 1k9a h ALA 160 Ca -0.28 0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.11 1k9a h ALA 160 Cb 1.18 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 18.65 1k9a h ALA 160 CO 0.12 0.04 -0.91 -3.47 0.00 0.00 0.00 179.25 175.03 1k9a n ASP 161 N -4.68 -0.52 0.00 0.00 2.03 -1.26 -1.47 116.55 110.65 1k9a n ASP 161 Ca 0.21 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.38 1k9a n ASP 161 Cb 0.48 -2.28 0.00 0.00 -0.72 0.00 0.00 41.12 38.60 1k9a n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k9a n GLY 162 N -2.00 1.93 3.82 0.27 0.00 -1.26 -5.08 105.19 102.87 1k9a n GLY 162 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1k9a n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9a s LEU 163 N 0.00 2.70 0.28 0.99 1.43 -0.54 -4.94 118.68 118.60 1k9a s LEU 163 Ca 0.00 1.29 0.02 0.00 -1.03 0.00 0.00 54.13 54.41 1k9a s LEU 163 Cb 0.00 -3.96 0.58 0.00 0.03 0.00 0.00 46.19 42.84 1k9a s LEU 163 CO 0.00 -1.80 1.82 0.00 0.23 0.00 0.00 176.35 176.60 1k9a s THR 165 N -5.94 0.04 0.72 0.00 -1.32 -1.26 -5.07 115.64 102.80 1k9a s THR 165 Ca -0.12 -0.57 -0.11 0.00 -1.21 0.00 0.00 61.69 59.68 1k9a s THR 165 Cb 0.23 -1.30 0.02 0.00 -1.51 0.00 0.00 72.50 69.94 1k9a s THR 165 CO 0.81 -0.19 1.07 0.00 -2.21 0.00 0.00 174.62 174.10 1k9a s ARG 166 N -3.82 2.69 0.20 7.08 1.70 -1.26 -4.61 118.95 120.92 1k9a s ARG 166 Ca 0.05 1.07 -0.30 0.00 -0.47 0.00 0.00 55.73 56.08 1k9a s ARG 166 Cb 0.00 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 32.35 1k9a s ARG 166 CO -0.09 -1.30 1.07 -0.51 -1.08 0.00 0.00 175.30 173.39 1k9a s LEU 167 N -5.61 4.52 0.00 -1.89 1.43 0.31 -4.52 118.68 112.92 1k9a s LEU 167 Ca 0.60 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1k9a s LEU 167 Cb -0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1k9a s LEU 167 CO 0.54 -0.15 0.00 -0.38 0.23 0.00 0.00 176.35 176.59 1k9a n ILE 168 N 2.11 0.00 -3.03 -0.59 5.41 -0.85 -4.51 119.36 117.90 1k9a n ILE 168 Ca 0.01 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 1k9a n ILE 168 Cb 0.46 -0.03 -0.05 0.00 -0.71 0.00 0.00 39.64 39.31 1k9a n ILE 168 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1k9a s LYS 169 N 0.00 4.25 0.30 0.38 2.20 -1.22 -4.96 119.74 120.68 1k9a s LYS 169 Ca 0.00 0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 56.10 1k9a s LYS 169 Cb 0.00 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.65 1k9a s LYS 169 CO 0.00 -0.26 1.02 -2.14 -0.36 0.00 0.00 175.35 173.61 1k9a s PRO 170 N 1.97 4.61 -1.21 4.03 0.02 -1.26 -2.38 135.00 140.77 1k9a s PRO 170 Ca 0.32 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 1k9a s PRO 170 Cb -0.16 -3.04 0.19 0.00 0.02 0.00 0.00 34.50 31.51 1k9a s PRO 170 CO 0.11 0.24 1.51 1.17 -0.33 0.00 0.00 177.00 179.70 1k9a n LYS 171 N 0.95 3.50 -1.60 5.54 0.00 -0.37 -4.87 118.16 121.30 1k9a n LYS 171 Ca 0.00 -3.88 -0.49 0.00 0.00 0.00 0.00 58.31 53.95 1k9a n LYS 171 Cb 0.47 -2.93 -0.04 0.00 0.00 0.00 0.00 35.03 32.52 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 3.94 0.59 -2.82 3.15 0.31 -1.26 -4.65 118.33 117.58 1k9a n VAL 172 Ca 0.36 -0.15 -0.38 0.00 -0.01 0.00 0.00 64.34 64.16 1k9a n VAL 172 Cb 0.40 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.05 4.65 0.26 5.55 1.75 -0.26 -4.99 119.30 126.21 1k9a s MET 173 Ca 0.76 1.32 -0.30 0.00 -1.25 0.00 0.00 55.69 56.23 1k9a s MET 173 Cb -0.84 -3.03 -0.10 0.00 2.84 0.00 0.00 34.83 33.70 1k9a s MET 173 CO 0.49 0.41 1.35 -1.21 -0.65 0.00 0.00 175.02 175.41 1k9a s GLU 174 N -1.63 4.35 -0.06 4.11 0.41 -1.26 -3.63 118.70 120.98 1k9a s GLU 174 Ca 0.45 2.18 -0.00 0.00 -0.41 0.00 0.00 54.97 57.18 1k9a s GLU 174 Cb -0.22 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 1k9a s GLU 174 CO 0.27 -0.28 0.05 0.41 -0.49 0.00 0.00 175.26 175.22 1k9a n GLY 175 N 1.83 0.64 3.54 -1.39 0.00 -1.26 -5.07 105.19 103.49 1k9a n GLY 175 Ca 0.04 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1k9a n GLY 175 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1k9a s THR 176 N -3.02 3.42 -0.22 2.61 -1.32 -1.24 -4.44 115.64 111.44 1k9a s THR 176 Ca 0.01 -0.67 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 1k9a s THR 176 Cb -0.01 -2.40 0.03 0.00 -1.51 0.00 0.00 72.50 68.61 1k9a s THR 176 CO 0.04 0.53 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.16 1k9a s VAL 177 N -0.83 2.38 -0.64 5.08 1.01 1.08 -4.98 120.40 123.49 1k9a s VAL 177 Ca 0.13 -1.12 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 1k9a s VAL 177 Cb -0.11 -2.17 -0.12 0.00 0.00 0.00 0.00 36.38 33.98 1k9a s VAL 177 CO 0.03 0.29 2.49 0.00 0.00 0.00 0.00 175.10 177.91 1k9a n ALA 178 N 4.59 0.66 -0.24 5.51 0.00 -1.26 -1.96 120.51 127.81 1k9a n ALA 178 Ca -0.18 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.64 1k9a n ALA 178 Cb 0.47 -2.86 0.16 0.00 0.00 0.00 0.00 19.45 17.22 1k9a n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9a h ALA 179 N 16.59 0.99 -0.20 0.00 0.00 -0.36 -1.37 119.26 134.91 1k9a h ALA 179 Ca -0.18 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1k9a h ALA 179 Cb 1.29 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1k9a h ALA 179 CO 1.22 -0.14 -0.14 -0.56 0.00 0.00 0.00 179.25 179.63 1k9a h GLN 180 N 0.50 -0.13 -0.50 0.00 -0.00 -1.87 -1.86 115.11 111.25 1k9a h GLN 180 Ca 0.37 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.95 1k9a h GLN 180 Cb 0.49 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.98 1k9a h GLN 180 CO -0.34 -0.09 -0.01 -0.44 -0.00 0.00 0.00 178.83 177.96 1k9a h ASP 181 N -0.13 0.88 -0.43 0.06 3.32 -1.83 -2.42 116.42 115.87 1k9a h ASP 181 Ca 0.12 -0.31 0.08 0.00 0.02 0.00 0.00 57.03 56.94 1k9a h ASP 181 Cb 0.31 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 1k9a h ASP 181 CO -0.28 0.97 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.05 1k9a h GLU 182 N 0.76 0.02 -0.34 3.56 4.57 -0.84 0.45 114.58 122.75 1k9a h GLU 182 Ca 0.14 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.22 1k9a h GLU 182 Cb 0.53 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1k9a h GLU 182 CO 0.03 0.01 -0.19 0.74 -1.18 0.00 0.00 179.01 178.42 1k9a h PHE 183 N 0.02 0.71 -0.15 0.92 -1.00 -1.28 -1.33 116.94 114.83 1k9a h PHE 183 Ca 0.21 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.80 1k9a h PHE 183 Cb 0.31 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1k9a h PHE 183 CO -0.35 0.78 -0.10 -0.92 -1.61 0.00 0.00 178.31 176.11 1k9a h TYR 184 N 0.57 0.40 -0.18 -0.55 3.20 -0.70 0.35 116.97 120.06 1k9a h TYR 184 Ca 0.09 -0.11 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1k9a h TYR 184 Cb 0.64 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1k9a h TYR 184 CO 0.03 0.69 -0.27 0.00 -1.64 0.00 0.00 178.16 176.96 1k9a h ARG 185 N -0.00 0.34 -0.27 1.82 2.47 -0.13 -2.67 114.38 115.94 1k9a h ARG 185 Ca 0.03 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1k9a h ARG 185 Cb 0.60 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 1k9a h ARG 185 CO 0.03 0.59 0.00 0.43 0.56 0.00 0.00 179.97 181.58 1k9a n SER 186 N -4.13 1.01 -1.63 7.04 7.64 -0.51 -4.72 113.62 118.33 1k9a n SER 186 Ca -0.01 -2.03 -0.13 0.00 1.01 0.00 0.00 58.87 57.72 1k9a n SER 186 Cb 0.39 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.66 -0.07 0.10 0.23 0.00 -1.01 -1.77 105.19 103.34 1k9a n GLY 187 Ca 0.05 -0.31 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.99 0.07 -3.13 1.61 7.02 0.08 -4.88 117.44 114.22 1k9a n TRP 188 Ca -0.10 -0.58 -0.40 0.00 -1.02 0.00 0.00 57.50 55.39 1k9a n TRP 188 Cb 0.59 -0.07 -0.06 0.00 -2.42 0.00 0.00 31.31 29.35 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 -1.32 3.59 0.47 6.99 0.00 -1.23 0.15 121.76 130.41 1k9a s ALA 189 Ca 0.08 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1k9a s ALA 189 Cb 0.06 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1k9a s ALA 189 CO 0.02 -0.73 0.65 -0.51 0.00 0.00 0.00 175.76 175.20 1k9a s LEU 190 N 2.31 3.52 -0.34 0.00 1.02 -0.33 -4.86 118.68 120.00 1k9a s LEU 190 Ca 0.26 -0.23 -0.06 0.00 0.02 0.00 0.00 54.13 54.12 1k9a s LEU 190 Cb -0.16 -2.76 0.05 0.00 0.02 0.00 0.00 46.19 43.34 1k9a s LEU 190 CO 0.09 -0.89 0.10 0.20 0.02 0.00 0.00 176.35 175.87 1k9a s ASN 191 N -4.37 5.27 0.30 2.29 0.01 -1.26 -4.79 114.94 112.39 1k9a s ASN 191 Ca 0.55 -1.21 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 1k9a s ASN 191 Cb -0.10 -1.85 0.80 0.00 0.41 0.00 0.00 41.25 40.51 1k9a s ASN 191 CO 0.35 -0.34 1.65 -0.03 -1.51 0.00 0.00 177.10 177.23 1k9a h MET 192 N 8.19 0.23 -0.36 -0.60 1.85 -1.95 0.22 114.93 122.52 1k9a h MET 192 Ca -0.22 -0.01 0.11 0.00 -0.61 0.00 0.00 59.70 58.96 1k9a h MET 192 Cb 1.08 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 1k9a h MET 192 CO 0.60 0.15 0.34 0.87 -0.40 0.00 0.00 176.91 178.48 1k9a h LYS 193 N 0.24 0.00 -0.64 0.39 6.56 -2.03 0.06 116.57 121.15 1k9a h LYS 193 Ca 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.19 1k9a h LYS 193 Cb 1.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1k9a h LYS 193 CO -0.64 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.14 1k9a n GLU 194 N -3.93 2.60 -4.13 3.15 -0.58 0.78 -4.89 120.64 113.65 1k9a n GLU 194 Ca 0.06 -2.33 -0.33 0.00 -0.42 0.00 0.00 57.16 54.14 1k9a n GLU 194 Cb 0.51 -1.54 -0.16 0.00 -0.57 0.00 0.00 31.44 29.69 1k9a n GLU 194 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1k9a s LEU 195 N -1.09 2.28 -0.27 -4.62 1.98 0.01 -2.26 118.68 114.71 1k9a s LEU 195 Ca 0.43 -0.59 -0.05 0.00 -2.89 0.00 0.00 54.13 51.03 1k9a s LEU 195 Cb 0.23 -1.53 0.01 0.00 0.66 0.00 0.00 46.19 45.56 1k9a s LEU 195 CO 0.28 0.00 0.02 -0.54 -1.89 0.00 0.00 176.35 174.22 1k9a s LYS 196 N 1.28 3.13 0.35 1.98 -0.14 0.01 -4.96 119.74 121.38 1k9a s LYS 196 Ca 0.04 -0.81 -0.26 0.00 -1.36 0.00 0.00 55.97 53.58 1k9a s LYS 196 Cb -0.13 -3.20 -0.09 0.00 -1.68 0.00 0.00 37.83 32.72 1k9a s LYS 196 CO -0.10 -0.36 1.04 -0.51 -0.76 0.00 0.00 175.35 174.66 1k9a s LEU 197 N 1.46 4.31 0.00 3.17 1.43 -1.26 -0.92 118.68 126.86 1k9a s LEU 197 Ca 0.03 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1k9a s LEU 197 Cb -0.16 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.08 1k9a s LEU 197 CO -0.00 -0.30 0.00 0.18 0.23 0.00 0.00 176.35 176.45 1k9a n LEU 198 N 0.45 0.00 -4.24 1.79 4.77 -0.37 -4.93 117.00 114.47 1k9a n LEU 198 Ca 0.03 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.70 1k9a n LEU 198 Cb 0.48 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.75 1k9a n LEU 198 CO 0.48 0.00 -0.47 0.00 -1.33 0.00 0.00 177.39 176.07 1k9a n GLN 199 N 0.00 -1.82 -3.67 3.23 0.00 -1.26 -4.59 117.38 109.27 1k9a n GLN 199 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 57.00 56.10 1k9a n GLN 199 Cb 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 30.24 28.45 1k9a n GLN 199 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1k9a s THR 200 N -2.21 4.51 0.30 -0.39 2.01 -1.26 -1.88 115.64 116.72 1k9a s THR 200 Ca 0.54 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1k9a s THR 200 Cb -0.11 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.21 1k9a s THR 200 CO 0.62 0.08 1.77 0.40 -0.69 0.00 0.00 174.62 176.80 1k9a h ILE 201 N 5.68 1.24 -1.09 1.82 2.04 -1.44 -3.46 117.51 122.31 1k9a h ILE 201 Ca -0.32 -1.11 0.19 0.00 1.00 0.00 0.00 64.86 64.61 1k9a h ILE 201 Cb 1.14 1.23 -0.31 0.00 -0.74 0.00 0.00 36.82 38.15 1k9a h ILE 201 CO 0.61 0.36 0.61 -0.83 0.00 0.00 0.00 178.15 178.89 1k9a s GLY 202 N -3.97 0.40 0.24 5.37 0.00 -0.49 -4.97 107.32 103.90 1k9a s GLY 202 Ca -0.07 3.61 -0.19 0.00 0.00 0.00 0.00 44.72 48.07 1k9a s GLY 202 CO 0.78 2.81 0.73 0.54 0.00 0.00 0.00 173.10 177.97 1k9a s LYS 203 N 1.29 4.22 0.27 2.90 1.02 -1.26 -0.58 119.74 127.61 1k9a s LYS 203 Ca -0.07 0.85 -0.08 0.00 0.02 0.00 0.00 55.97 56.68 1k9a s LYS 203 Cb -0.03 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1k9a s LYS 203 CO -0.12 0.35 0.44 0.20 -0.92 0.00 0.00 175.35 175.30 1k9a s GLY 204 N -1.77 0.92 0.04 -3.33 0.00 -1.10 -4.95 107.32 97.14 1k9a s GLY 204 Ca 0.45 -1.16 -0.09 0.00 0.00 0.00 0.00 44.72 43.92 1k9a s GLY 204 CO 0.20 -0.82 1.16 0.83 0.00 0.00 0.00 173.10 174.47 1k9a h GLU 205 N 2.25 -0.06 -0.85 2.90 3.07 -2.02 -3.21 114.58 116.66 1k9a h GLU 205 Ca -0.28 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.03 1k9a h GLU 205 Cb 1.25 0.01 -0.43 0.00 -0.84 0.00 0.00 28.75 28.74 1k9a h GLU 205 CO 0.39 -0.04 -0.80 1.19 -1.40 0.00 0.00 179.01 178.35 1k9a n PHE 206 N -3.55 2.84 0.00 4.33 3.01 -1.26 -4.90 117.46 117.93 1k9a n PHE 206 Ca -0.00 -2.34 0.00 0.00 1.01 0.00 0.00 57.45 56.12 1k9a n PHE 206 Cb 0.09 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1k9a n PHE 206 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k9a n GLY 207 N -0.68 4.26 3.80 1.37 0.00 -1.21 -1.82 105.19 110.91 1k9a n GLY 207 Ca 0.43 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1k9a n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9a s ASP 208 N 0.00 5.53 -0.05 1.61 1.01 -1.19 -2.71 116.67 120.86 1k9a s ASP 208 Ca 0.00 -0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.18 1k9a s ASP 208 Cb 0.00 -1.44 -0.01 0.00 1.01 0.00 0.00 42.92 42.48 1k9a s ASP 208 CO 0.00 0.06 -0.23 -0.69 0.21 0.00 0.00 175.17 174.52 1k9a s VAL 209 N -1.78 1.89 0.01 -1.27 1.01 0.26 -2.35 120.40 118.17 1k9a s VAL 209 Ca 0.31 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1k9a s VAL 209 Cb -0.10 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1k9a s VAL 209 CO 0.24 0.53 -0.09 -0.04 0.00 0.00 0.00 175.10 175.74 1k9a s MET 210 N -0.14 0.65 0.40 2.72 -1.94 0.64 -1.12 119.30 120.50 1k9a s MET 210 Ca -0.03 -0.47 -0.26 0.00 -1.71 0.00 0.00 55.69 53.22 1k9a s MET 210 Cb -0.13 -0.60 -0.09 0.00 2.01 0.00 0.00 34.83 36.03 1k9a s MET 210 CO 0.03 0.15 1.25 -1.17 -0.01 0.00 0.00 175.02 175.27 1k9a s LEU 211 N -0.67 4.22 0.10 -0.03 2.96 -0.79 -1.11 118.68 123.37 1k9a s LEU 211 Ca -0.00 2.53 -0.05 0.00 -0.22 0.00 0.00 54.13 56.39 1k9a s LEU 211 Cb -0.05 -3.93 -0.02 0.00 0.50 0.00 0.00 46.19 42.68 1k9a s LEU 211 CO 0.00 -0.76 0.11 -0.83 -1.32 0.00 0.00 176.35 173.56 1k9a s GLY 212 N -0.88 0.48 -0.21 7.98 0.00 0.97 -1.23 107.32 114.42 1k9a s GLY 212 Ca 0.56 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 44.26 1k9a s GLY 212 CO 0.45 -1.09 -0.15 -0.35 0.00 0.00 0.00 173.10 171.96 1k9a s ASP 213 N -2.94 3.70 -0.18 1.64 -1.08 -0.10 -0.36 116.67 117.35 1k9a s ASP 213 Ca 0.12 -0.88 0.01 0.00 -0.52 0.00 0.00 52.55 51.28 1k9a s ASP 213 Cb 0.06 -1.53 0.02 0.00 -1.46 0.00 0.00 42.92 40.01 1k9a s ASP 213 CO -0.06 -0.07 -0.17 -0.47 0.52 0.00 0.00 175.17 174.92 1k9a s TYR 214 N 1.25 2.58 -1.59 -5.34 5.04 0.08 -0.81 117.35 118.55 1k9a s TYR 214 Ca 0.00 -1.55 -0.11 0.00 -2.44 0.00 0.00 57.07 52.98 1k9a s TYR 214 Cb -0.15 -1.79 0.09 0.00 0.35 0.00 0.00 41.96 40.45 1k9a s TYR 214 CO -0.09 -0.76 0.59 0.54 -1.34 0.00 0.00 175.55 174.48 1k9a n ARG 215 N 4.66 -3.00 -0.58 4.97 1.74 -0.96 -1.41 116.66 122.09 1k9a n ARG 215 Ca -0.19 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 1k9a n ARG 215 Cb 0.49 -4.77 0.00 0.00 -1.02 0.00 0.00 32.46 27.16 1k9a n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9a n GLY 216 N -1.70 1.05 3.20 -0.13 0.00 -1.26 -5.05 105.19 101.29 1k9a n GLY 216 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1k9a n GLY 216 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9a s ASN 217 N -3.06 1.98 0.41 1.61 0.01 -0.50 -5.09 114.94 110.30 1k9a s ASN 217 Ca 0.00 -0.56 -0.27 0.00 -0.71 0.00 0.00 52.86 51.33 1k9a s ASN 217 Cb 0.00 -0.11 -0.09 0.00 0.41 0.00 0.00 41.25 41.45 1k9a s ASN 217 CO 0.00 0.03 1.40 -0.54 -1.51 0.00 0.00 177.10 176.48 1k9a s LYS 218 N -1.47 3.93 0.10 -0.60 1.02 -1.26 -0.75 119.74 120.72 1k9a s LYS 218 Ca 0.03 2.38 -0.19 0.00 0.02 0.00 0.00 55.97 58.21 1k9a s LYS 218 Cb -0.09 -2.81 0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1k9a s LYS 218 CO 0.02 -0.60 0.46 0.54 -0.92 0.00 0.00 175.35 174.85 1k9a s VAL 219 N -1.19 0.05 0.06 3.17 0.11 0.51 -4.46 120.40 118.66 1k9a s VAL 219 Ca 0.57 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 1k9a s VAL 219 Cb -0.43 -1.06 -0.05 0.00 -1.53 0.00 0.00 36.38 33.31 1k9a s VAL 219 CO 0.56 -0.22 0.34 0.00 -3.33 0.00 0.00 175.10 172.45 1k9a s ALA 220 N -3.26 3.79 -0.06 1.54 0.00 -0.41 -0.02 121.76 123.35 1k9a s ALA 220 Ca -0.01 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1k9a s ALA 220 Cb 0.00 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1k9a s ALA 220 CO -0.08 0.62 -0.08 0.08 0.00 0.00 0.00 175.76 176.31 1k9a s VAL 221 N -1.40 0.82 -0.01 0.00 1.01 -0.26 -1.07 120.40 119.48 1k9a s VAL 221 Ca 0.32 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.12 1k9a s VAL 221 Cb -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1k9a s VAL 221 CO 0.19 0.30 -0.25 -0.75 0.00 0.00 0.00 175.10 174.58 1k9a s LYS 222 N 1.01 1.96 -0.31 2.72 2.20 -0.38 -0.26 119.74 126.69 1k9a s LYS 222 Ca -0.09 -0.93 -0.02 0.00 -0.36 0.00 0.00 55.97 54.57 1k9a s LYS 222 Cb -0.14 -1.94 0.10 0.00 -1.51 0.00 0.00 37.83 34.34 1k9a s LYS 222 CO -0.00 0.53 0.12 0.00 -0.36 0.00 0.00 175.35 175.63 1k9a n ILE 224 N 4.93 0.44 -4.31 0.00 2.08 -1.26 -3.20 119.36 118.05 1k9a n ILE 224 Ca -0.03 -0.29 -0.20 0.00 0.56 0.00 0.00 62.75 62.80 1k9a n ILE 224 Cb 0.42 -0.55 -0.11 0.00 -0.75 0.00 0.00 39.64 38.64 1k9a n ILE 224 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1k9a s LYS 225 N -3.14 1.21 -1.50 0.38 1.02 -0.75 -4.75 119.74 112.21 1k9a s LYS 225 Ca 0.57 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.05 1k9a s LYS 225 Cb -0.25 -1.15 0.07 0.00 -0.52 0.00 0.00 37.83 35.99 1k9a s LYS 225 CO 0.67 0.22 0.91 0.09 -0.92 0.00 0.00 175.35 176.32 1k9a n ASN 226 N 0.22 -3.97 -3.83 2.83 4.13 -1.26 -4.70 115.26 108.67 1k9a n ASN 226 Ca -0.13 -0.81 -0.30 0.00 1.68 0.00 0.00 54.58 55.03 1k9a n ASN 226 Cb 0.58 -3.83 -0.10 0.00 -1.54 0.00 0.00 39.78 34.89 1k9a n ASN 226 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1k9a n ASP 227 N -2.87 3.55 -0.23 6.41 2.03 -1.26 -4.93 116.55 119.24 1k9a n ASP 227 Ca -0.03 -3.26 -0.06 0.00 0.52 0.00 0.00 54.79 51.96 1k9a n ASP 227 Cb 0.56 -0.81 0.05 0.00 -0.72 0.00 0.00 41.12 40.19 1k9a n ASP 227 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k9a h ALA 228 N 5.20 0.83 -0.09 -1.67 0.00 -1.91 -2.88 119.26 118.75 1k9a h ALA 228 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1k9a h ALA 228 Cb 0.74 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1k9a h ALA 228 CO 0.79 0.29 0.00 0.25 0.00 0.00 0.00 179.25 180.59 1k9a n THR 229 N -4.60 0.10 -1.13 0.00 -2.24 -1.26 -2.13 114.28 103.02 1k9a n THR 229 Ca 0.05 -0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1k9a n THR 229 Cb 0.04 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 1k9a n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a n ALA 230 N 0.59 -0.07 0.24 6.98 0.00 -1.09 -4.83 120.51 122.33 1k9a n ALA 230 Ca 0.17 0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1k9a n ALA 230 Cb 0.43 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 1k9a n ALA 230 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1k9a h GLN 231 N 0.17 -0.73 -0.37 0.00 5.75 -1.91 -1.45 115.11 116.58 1k9a h GLN 231 Ca -0.09 0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.53 1k9a h GLN 231 Cb 0.84 0.16 -0.08 0.00 1.07 0.00 0.00 27.48 29.48 1k9a h GLN 231 CO 0.14 -0.48 -0.15 0.00 -2.65 0.00 0.00 178.83 175.68 1k9a h ALA 232 N -0.30 0.15 -0.67 3.38 0.00 -1.93 0.12 119.26 120.00 1k9a h ALA 232 Ca -0.03 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1k9a h ALA 232 Cb 0.67 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1k9a h ALA 232 CO -0.05 -0.52 0.32 0.35 0.00 0.00 0.00 179.25 179.35 1k9a h PHE 233 N -0.08 0.57 -0.12 0.00 3.57 -1.90 -0.72 116.94 118.26 1k9a h PHE 233 Ca 0.18 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.60 1k9a h PHE 233 Cb 0.36 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1k9a h PHE 233 CO -0.38 0.20 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.44 1k9a h LEU 234 N 0.55 0.54 -0.19 0.59 -0.00 -0.52 -1.92 115.31 114.35 1k9a h LEU 234 Ca 0.33 -0.61 0.04 0.00 -0.00 0.00 0.00 57.88 57.64 1k9a h LEU 234 Cb 0.35 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.81 1k9a h LEU 234 CO -0.27 1.06 -0.07 0.00 -0.00 0.00 0.00 178.44 179.16 1k9a h ALA 235 N 0.50 0.10 -0.23 1.53 0.00 -0.47 0.13 119.26 120.82 1k9a h ALA 235 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1k9a h ALA 235 Cb 1.01 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1k9a h ALA 235 CO 0.08 -0.50 -0.35 1.49 0.00 0.00 0.00 179.25 179.97 1k9a h GLU 236 N -0.03 0.50 -0.00 0.00 4.81 -1.19 -2.94 114.58 115.73 1k9a h GLU 236 Ca 0.10 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 1k9a h GLU 236 Cb 0.18 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1k9a h GLU 236 CO -0.22 0.79 -0.30 0.00 -0.73 0.00 0.00 179.01 178.55 1k9a h ALA 237 N 1.19 0.04 -0.31 2.92 0.00 -1.01 -2.95 119.26 119.14 1k9a h ALA 237 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1k9a h ALA 237 Cb 0.82 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1k9a h ALA 237 CO 0.07 0.13 0.19 0.66 0.00 0.00 0.00 179.25 180.30 1k9a h SER 238 N -0.44 0.36 -0.87 0.00 4.64 -0.81 -1.86 113.55 114.58 1k9a h SER 238 Ca -0.04 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1k9a h SER 238 Cb 1.05 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 1k9a h SER 238 CO 0.06 0.29 0.57 1.62 -0.87 0.00 0.00 176.83 178.51 1k9a h VAL 239 N 0.40 1.22 0.00 0.95 3.04 -1.64 -1.43 116.25 118.79 1k9a h VAL 239 Ca 0.11 -0.40 -0.01 0.00 -1.01 0.00 0.00 66.70 65.39 1k9a h VAL 239 Cb -0.01 -0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.21 1k9a h VAL 239 CO -0.02 0.21 -0.06 0.24 -1.01 0.00 0.00 177.57 176.93 1k9a h MET 240 N 1.17 0.00 0.00 4.17 2.07 -1.18 0.75 114.93 121.92 1k9a h MET 240 Ca 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.95 1k9a h MET 240 Cb -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1k9a h MET 240 CO -0.07 0.06 0.00 0.25 1.07 0.00 0.00 176.91 178.22 1k9a n THR 241 N -3.35 0.16 -0.02 2.22 -2.24 -0.54 -3.30 114.28 107.21 1k9a n THR 241 Ca -0.01 0.04 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1k9a n THR 241 Cb 0.22 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.71 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 -1.39 0.69 -2.83 -0.78 6.02 0.22 -3.86 117.38 115.45 1k9a n GLN 242 Ca 0.10 -0.13 -0.40 0.00 -0.01 0.00 0.00 57.00 56.55 1k9a n GLN 242 Cb 0.26 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.04 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 -4.45 4.54 -0.38 1.08 1.43 -1.00 -5.02 118.68 114.88 1k9a s LEU 243 Ca -0.07 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1k9a s LEU 243 Cb 0.10 -3.46 0.16 0.00 0.03 0.00 0.00 46.19 43.02 1k9a s LEU 243 CO 0.74 0.05 0.41 -0.60 0.23 0.00 0.00 176.35 177.18 1k9a s ARG 244 N -0.49 0.69 -0.16 1.70 6.06 -1.26 -4.92 118.95 120.57 1k9a s ARG 244 Ca 0.42 -0.88 -0.14 0.00 -2.50 0.00 0.00 55.73 52.63 1k9a s ARG 244 Cb -0.23 -0.66 0.05 0.00 0.06 0.00 0.00 34.95 34.16 1k9a s ARG 244 CO 0.28 -1.21 0.42 -1.58 -2.50 0.00 0.00 175.30 170.72 1k9a s HIS 245 N 1.37 -0.50 0.10 5.12 2.46 -1.26 -5.02 115.29 117.56 1k9a s HIS 245 Ca 0.18 1.18 0.20 0.00 0.47 0.00 0.00 55.06 57.09 1k9a s HIS 245 Cb -0.13 0.19 1.12 0.00 -0.13 0.00 0.00 32.58 33.62 1k9a s HIS 245 CO -0.03 -0.25 1.58 0.66 -2.47 0.00 0.00 174.74 174.22 1k9a h SER 246 N 5.84 0.00 -0.24 9.88 4.64 -2.00 -0.62 113.55 131.04 1k9a h SER 246 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1k9a h SER 246 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1k9a h SER 246 CO 0.25 0.00 -0.00 0.59 -0.87 0.00 0.00 176.83 176.80 1k9a n ASN 247 N -2.32 3.68 -4.23 4.97 3.02 -1.26 -4.93 115.26 114.20 1k9a n ASN 247 Ca -0.01 -3.06 -0.29 0.00 -0.03 0.00 0.00 54.58 51.18 1k9a n ASN 247 Cb 0.23 -0.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 1k9a n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9a s LEU 248 N -2.86 2.02 0.17 3.41 1.43 -0.24 -1.65 118.68 120.96 1k9a s LEU 248 Ca 0.41 -0.45 -0.32 0.00 -1.03 0.00 0.00 54.13 52.75 1k9a s LEU 248 Cb 0.34 -1.23 -0.11 0.00 0.03 0.00 0.00 46.19 45.23 1k9a s LEU 248 CO 0.08 0.22 1.70 -0.69 0.23 0.00 0.00 176.35 177.89 1k9a s VAL 249 N -0.15 2.36 0.10 -1.59 1.01 -0.44 -4.71 120.40 116.98 1k9a s VAL 249 Ca -0.02 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 1k9a s VAL 249 Cb -0.12 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 1k9a s VAL 249 CO 0.03 0.01 0.69 -1.58 0.00 0.00 0.00 175.10 174.24 1k9a s GLN 250 N 1.58 4.41 0.19 2.72 2.00 -1.26 -4.93 119.66 124.37 1k9a s GLN 250 Ca 0.75 0.96 -0.30 0.00 -2.00 0.00 0.00 55.36 54.77 1k9a s GLN 250 Cb -0.47 -3.28 -0.08 0.00 0.80 0.00 0.00 33.01 29.99 1k9a s GLN 250 CO 0.33 0.53 0.95 -1.17 -0.50 0.00 0.00 175.29 175.42 1k9a s LEU 251 N -0.86 4.60 -0.19 3.68 2.96 -1.26 -1.03 118.68 126.57 1k9a s LEU 251 Ca 0.33 1.90 0.17 0.00 -0.22 0.00 0.00 54.13 56.32 1k9a s LEU 251 Cb -0.21 -3.60 -0.24 0.00 0.50 0.00 0.00 46.19 42.64 1k9a s LEU 251 CO 0.22 0.08 0.07 0.18 -1.32 0.00 0.00 176.35 175.58 1k9a n LEU 252 N 1.95 0.00 0.00 -0.68 4.32 0.54 -4.89 117.00 118.23 1k9a n LEU 252 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1k9a n LEU 252 Cb 0.48 0.48 0.00 0.00 -1.62 0.00 0.00 43.42 42.76 1k9a n LEU 252 CO 0.50 0.48 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 1k9a n GLY 253 N 1.79 -1.56 3.12 -0.72 0.00 -1.10 -4.92 105.19 101.80 1k9a n GLY 253 Ca -0.32 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.38 1k9a n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9a s VAL 254 N -2.87 0.65 -0.08 1.61 0.11 0.40 -2.27 120.40 117.95 1k9a s VAL 254 Ca 0.00 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1k9a s VAL 254 Cb 0.00 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1k9a s VAL 254 CO 0.00 -0.61 -0.06 -0.63 -3.33 0.00 0.00 175.10 170.47 1k9a s ILE 255 N -2.47 0.79 -0.01 7.04 1.01 0.06 -1.18 121.20 126.43 1k9a s ILE 255 Ca 0.01 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.53 1k9a s ILE 255 Cb -0.03 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1k9a s ILE 255 CO -0.02 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.36 1k9a s VAL 256 N 1.40 2.77 -0.25 2.92 1.01 -1.26 -0.39 120.40 126.60 1k9a s VAL 256 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1k9a s VAL 256 Cb -0.13 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.27 1k9a s VAL 256 CO -0.04 0.50 0.24 -1.61 0.00 0.00 0.00 175.10 174.19 1k9a s GLU 257 N -0.95 0.24 0.17 2.72 2.02 -0.84 -5.01 118.70 117.06 1k9a s GLU 257 Ca 0.12 -0.02 -0.20 0.00 0.02 0.00 0.00 54.97 54.89 1k9a s GLU 257 Cb -0.10 -1.01 0.09 0.00 0.10 0.00 0.00 34.13 33.21 1k9a s GLU 257 CO 0.02 -0.84 1.62 1.49 0.02 0.00 0.00 175.26 177.57 1k9a h GLU 258 N 8.31 -0.16 0.02 1.61 4.81 -1.96 -1.61 114.58 125.59 1k9a h GLU 258 Ca -0.16 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.85 1k9a h GLU 258 Cb 1.11 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1k9a h GLU 258 CO 0.32 -0.11 -1.16 -0.22 -0.73 0.00 0.00 179.01 177.11 1k9a h LYS 259 N -0.17 0.05 0.00 1.92 3.64 -1.94 -3.20 116.57 116.87 1k9a h LYS 259 Ca 0.19 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1k9a h LYS 259 Cb 0.47 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1k9a h LYS 259 CO -0.51 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 178.04 1k9a n GLY 260 N 1.42 1.58 3.98 5.01 0.00 -0.61 -4.93 105.19 111.65 1k9a n GLY 260 Ca -0.04 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 1k9a n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k9a s GLY 261 N -0.26 1.76 -0.22 -0.02 0.00 -1.25 -4.62 107.32 102.71 1k9a s GLY 261 Ca 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 44.72 43.05 1k9a s GLY 261 CO 0.00 -1.03 -0.10 1.08 0.00 0.00 0.00 173.10 173.05 1k9a s LEU 262 N -5.36 2.70 0.03 0.66 1.43 -1.26 -1.98 118.68 114.91 1k9a s LEU 262 Ca 0.69 -1.09 0.06 0.00 -1.03 0.00 0.00 54.13 52.76 1k9a s LEU 262 Cb -0.04 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1k9a s LEU 262 CO 0.47 -0.16 -0.13 -0.31 0.23 0.00 0.00 176.35 176.45 1k9a s TYR 263 N 1.29 2.70 -0.28 0.29 1.51 0.47 -4.06 117.35 119.28 1k9a s TYR 263 Ca -0.04 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1k9a s TYR 263 Cb -0.18 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1k9a s TYR 263 CO -0.07 0.31 -0.01 0.42 -1.11 0.00 0.00 175.55 175.08 1k9a s ILE 264 N -0.97 3.07 -0.28 2.71 1.01 0.61 -0.76 121.20 126.58 1k9a s ILE 264 Ca 0.16 -1.15 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 1k9a s ILE 264 Cb -0.11 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1k9a s ILE 264 CO 0.07 0.04 0.39 -0.69 0.00 0.00 0.00 174.94 174.75 1k9a s VAL 265 N 1.31 5.16 0.43 2.92 1.01 -0.96 -1.24 120.40 129.03 1k9a s VAL 265 Ca -0.02 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.58 1k9a s VAL 265 Cb -0.18 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1k9a s VAL 265 CO -0.02 0.12 0.03 0.28 0.00 0.00 0.00 175.10 175.51 1k9a s THR 266 N 2.10 1.88 0.43 3.92 -1.32 -0.24 -0.34 115.64 122.07 1k9a s THR 266 Ca 0.16 -1.96 -0.24 0.00 -1.21 0.00 0.00 61.69 58.44 1k9a s THR 266 Cb -0.16 -2.83 -0.08 0.00 -1.51 0.00 0.00 72.50 67.92 1k9a s THR 266 CO 0.10 0.00 1.16 -1.83 -2.21 0.00 0.00 174.62 171.84 1k9a s GLU 267 N -3.77 3.92 -0.10 7.08 -1.05 -0.20 -1.29 118.70 123.30 1k9a s GLU 267 Ca 0.30 1.78 -0.26 0.00 -0.15 0.00 0.00 54.97 56.64 1k9a s GLU 267 Cb 0.08 -2.53 -0.02 0.00 -0.44 0.00 0.00 34.13 31.21 1k9a s GLU 267 CO 0.16 -0.41 0.86 -0.47 0.95 0.00 0.00 175.26 176.34 1k9a s TYR 268 N -1.50 3.53 -0.51 4.83 5.04 -1.26 -4.31 117.35 123.17 1k9a s TYR 268 Ca 0.60 1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 56.53 1k9a s TYR 268 Cb -0.29 -3.01 0.13 0.00 0.35 0.00 0.00 41.96 39.14 1k9a s TYR 268 CO 0.36 -0.10 0.41 -1.64 -1.34 0.00 0.00 175.55 173.23 1k9a s MET 269 N 1.54 2.65 0.56 4.97 -1.94 -1.26 -4.80 119.30 121.02 1k9a s MET 269 Ca 0.43 -1.82 0.29 0.00 -1.71 0.00 0.00 55.69 52.87 1k9a s MET 269 Cb -0.18 -4.03 1.47 0.00 2.01 0.00 0.00 34.83 34.10 1k9a s MET 269 CO 0.18 -1.23 1.92 0.00 -0.01 0.00 0.00 175.02 175.88 1k9a h ALA 270 N 8.46 2.41 -0.42 3.03 0.00 -1.86 -2.75 119.26 128.13 1k9a h ALA 270 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1k9a h ALA 270 Cb 1.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1k9a h ALA 270 CO 0.89 -0.79 0.00 1.63 0.00 0.00 0.00 179.25 180.98 1k9a n LYS 271 N -4.01 2.40 0.00 0.00 5.02 -1.02 -4.97 118.16 115.58 1k9a n LYS 271 Ca 0.11 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1k9a n LYS 271 Cb 0.72 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 1.46 -0.61 3.76 0.72 0.00 -1.04 -4.46 105.19 105.03 1k9a n GLY 272 Ca 0.19 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1k9a n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9a s SER 273 N -4.00 5.40 0.35 1.61 1.04 -1.26 -1.30 113.70 115.53 1k9a s SER 273 Ca 0.00 2.34 0.05 0.00 0.48 0.00 0.00 55.95 58.82 1k9a s SER 273 Cb 0.00 -2.60 0.69 0.00 0.10 0.00 0.00 66.02 64.21 1k9a s SER 273 CO 0.00 -1.45 1.94 0.25 0.98 0.00 0.00 173.24 174.96 1k9a h LEU 274 N 1.07 0.73 0.42 2.42 5.85 0.60 0.29 115.31 126.68 1k9a h LEU 274 Ca -0.50 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1k9a h LEU 274 Cb 1.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1k9a h LEU 274 CO 0.56 0.47 -0.39 0.58 -0.34 0.00 0.00 178.44 179.31 1k9a h VAL 275 N 0.83 0.20 -0.58 1.05 2.07 -1.81 0.56 116.25 118.57 1k9a h VAL 275 Ca 0.34 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.88 1k9a h VAL 275 Cb 0.26 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1k9a h VAL 275 CO -0.12 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.27 1k9a h ASP 276 N -0.82 0.60 -0.20 0.57 3.32 -1.67 0.14 116.42 118.36 1k9a h ASP 276 Ca -0.04 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.06 1k9a h ASP 276 Cb 0.73 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1k9a h ASP 276 CO -0.05 0.42 -0.10 0.22 -1.72 0.00 0.00 179.24 178.01 1k9a h TYR 277 N 0.72 -0.24 -0.52 4.55 3.20 0.14 -2.04 116.97 122.79 1k9a h TYR 277 Ca 0.23 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 1k9a h TYR 277 Cb -0.00 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1k9a h TYR 277 CO -0.05 -0.16 0.09 -0.07 -1.64 0.00 0.00 178.16 176.33 1k9a h LEU 278 N -0.08 0.82 -1.21 2.82 3.38 0.56 -2.96 115.31 118.64 1k9a h LEU 278 Ca 0.11 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1k9a h LEU 278 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1k9a h LEU 278 CO -0.25 0.87 -0.05 0.03 0.09 0.00 0.00 178.44 179.12 1k9a h ARG 279 N 0.74 0.48 0.00 1.13 3.08 -0.40 -2.36 114.38 117.04 1k9a h ARG 279 Ca 0.16 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1k9a h ARG 279 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1k9a h ARG 279 CO 0.01 0.55 -0.57 -1.13 -1.07 0.00 0.00 179.97 177.76 1k9a n SER 280 N -4.26 0.57 -0.11 7.04 3.41 -0.79 -4.33 113.62 115.14 1k9a n SER 280 Ca 0.01 -0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.07 1k9a n SER 280 Cb 0.27 0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 1k9a n SER 280 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k9a n ARG 281 N -1.52 0.56 -0.40 4.33 5.12 -1.12 -5.10 116.66 118.53 1k9a n ARG 281 Ca 0.05 0.40 0.05 0.00 -1.93 0.00 0.00 57.85 56.42 1k9a n ARG 281 Cb 0.34 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 1k9a n ARG 281 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k9a n GLY 282 N 1.39 -2.21 0.35 -0.13 0.00 -0.90 -3.87 105.19 99.82 1k9a n GLY 282 Ca -0.36 -1.38 0.18 0.00 0.00 0.00 0.00 46.02 44.46 1k9a n GLY 282 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k9a h ARG 283 N -0.39 0.00 0.00 1.61 0.11 -1.89 -0.70 114.38 113.12 1k9a h ARG 283 Ca -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 1k9a h ARG 283 Cb 0.38 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 1k9a h ARG 283 CO 0.01 0.00 -0.17 0.66 0.10 0.00 0.00 179.97 180.58 1k9a h SER 284 N 0.00 0.00 0.00 0.08 4.64 -2.01 -3.32 113.55 112.94 1k9a h SER 284 Ca 0.13 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.24 1k9a h SER 284 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.73 1k9a h SER 284 CO -0.00 0.17 -1.78 0.52 -0.87 0.00 0.00 176.83 174.86 1k9a n VAL 285 N -3.49 0.78 -3.57 0.95 0.31 -0.35 -4.96 118.33 108.01 1k9a n VAL 285 Ca -0.01 -0.42 -0.40 0.00 -0.01 0.00 0.00 64.34 63.50 1k9a n VAL 285 Cb 0.33 -0.81 -0.11 0.00 -0.91 0.00 0.00 33.84 32.34 1k9a n VAL 285 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k9a s LEU 286 N -5.16 4.57 0.00 7.52 1.43 -0.73 -5.05 118.68 121.26 1k9a s LEU 286 Ca -0.10 -0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 1k9a s LEU 286 Cb 0.04 -2.07 0.16 0.00 0.03 0.00 0.00 46.19 44.35 1k9a s LEU 286 CO 0.41 -0.31 1.06 0.61 0.23 0.00 0.00 176.35 178.36 1k9a n GLY 287 N 5.05 -0.11 0.31 -3.19 0.00 -1.26 -4.64 105.19 101.35 1k9a n GLY 287 Ca -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.96 1.14 0.42 -0.02 0.00 -1.97 -1.84 103.07 99.84 1k9a h GLY 288 Ca -0.35 -0.42 0.07 0.00 0.00 0.00 0.00 47.33 46.63 1k9a h GLY 288 CO 0.32 0.41 0.03 -0.55 0.00 0.00 0.00 176.54 176.76 1k9a h ASP 289 N 1.09 -0.09 0.11 0.19 3.45 -1.94 -0.12 116.42 119.11 1k9a h ASP 289 Ca 0.30 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.84 1k9a h ASP 289 Cb -0.12 0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 1k9a h ASP 289 CO -0.07 -0.01 -0.09 0.00 -1.57 0.00 0.00 179.24 177.51 1k9a h LEU 291 N -0.21 0.49 -0.29 0.00 3.38 -1.03 -2.13 115.31 115.51 1k9a h LEU 291 Ca -0.00 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 1k9a h LEU 291 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1k9a h LEU 291 CO -0.01 0.40 -0.77 0.25 0.09 0.00 0.00 178.44 178.41 1k9a h LEU 292 N 0.56 0.68 -0.70 1.67 5.85 -0.70 -2.50 115.31 120.16 1k9a h LEU 292 Ca 0.14 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1k9a h LEU 292 Cb 0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1k9a h LEU 292 CO -0.02 1.22 0.43 0.50 -0.34 0.00 0.00 178.44 180.23 1k9a h LYS 293 N 0.38 0.94 -0.06 1.25 1.63 -0.38 0.93 116.57 121.26 1k9a h LYS 293 Ca -0.04 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1k9a h LYS 293 Cb 1.37 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1k9a h LYS 293 CO 0.14 0.66 0.03 0.74 -3.45 0.00 0.00 179.45 177.57 1k9a h PHE 294 N 0.95 0.09 -0.65 1.91 0.05 -1.40 0.37 116.94 118.25 1k9a h PHE 294 Ca 0.25 -0.00 0.13 0.00 3.82 0.00 0.00 57.97 62.16 1k9a h PHE 294 Cb -0.05 -0.03 -0.09 0.00 2.00 0.00 0.00 35.95 37.78 1k9a h PHE 294 CO -0.02 0.16 0.17 0.77 -0.18 0.00 0.00 178.31 179.22 1k9a h SER 295 N -0.02 0.06 -0.36 2.17 0.02 -0.98 0.12 113.55 114.56 1k9a h SER 295 Ca 0.02 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1k9a h SER 295 Cb 0.11 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1k9a h SER 295 CO -0.00 0.02 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.47 1k9a h LEU 296 N 0.30 0.77 0.07 5.07 3.38 -0.37 0.34 115.31 124.87 1k9a h LEU 296 Ca 0.35 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1k9a h LEU 296 Cb 0.54 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1k9a h LEU 296 CO -0.42 1.00 -0.46 0.44 0.09 0.00 0.00 178.44 179.09 1k9a h ASP 297 N 0.53 -1.38 -0.38 -0.43 3.32 0.12 -0.01 116.42 118.18 1k9a h ASP 297 Ca 0.08 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1k9a h ASP 297 Cb 0.71 0.52 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1k9a h ASP 297 CO 0.05 -0.50 0.22 0.58 -1.72 0.00 0.00 179.24 177.87 1k9a h VAL 298 N -0.66 1.04 -0.59 -1.35 2.07 -0.83 -2.54 116.25 113.38 1k9a h VAL 298 Ca 0.02 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1k9a h VAL 298 Cb 0.70 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1k9a h VAL 298 CO -0.29 0.08 0.39 0.00 0.02 0.00 0.00 177.57 177.78 1k9a h GLU 300 N 0.46 0.26 -0.24 0.00 5.08 -0.69 -1.43 114.58 118.02 1k9a h GLU 300 Ca 0.27 -0.26 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1k9a h GLU 300 Cb 0.45 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1k9a h GLU 300 CO -0.08 0.96 0.14 0.00 -1.00 0.00 0.00 179.01 179.04 1k9a h ALA 301 N 0.95 0.29 -0.56 3.43 0.00 -0.74 -0.44 119.26 122.19 1k9a h ALA 301 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1k9a h ALA 301 Cb 1.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 1k9a h ALA 301 CO 0.13 -0.25 0.03 0.52 0.00 0.00 0.00 179.25 179.69 1k9a h MET 302 N 0.30 0.96 -0.94 0.00 2.86 -1.21 -1.66 114.93 115.23 1k9a h MET 302 Ca 0.09 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1k9a h MET 302 Cb -0.02 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.49 1k9a h MET 302 CO -0.03 0.95 0.60 1.49 1.06 0.00 0.00 176.91 180.97 1k9a h GLU 303 N 0.85 1.08 -0.70 1.72 4.81 -0.87 0.33 114.58 121.79 1k9a h GLU 303 Ca 0.16 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1k9a h GLU 303 Cb 0.49 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1k9a h GLU 303 CO 0.02 0.71 0.32 -0.92 -0.73 0.00 0.00 179.01 178.42 1k9a h TYR 304 N 1.11 1.03 0.07 0.92 3.20 -0.61 0.33 116.97 123.01 1k9a h TYR 304 Ca 0.40 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1k9a h TYR 304 Cb 0.12 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1k9a h TYR 304 CO -0.01 0.77 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.18 1k9a h LEU 305 N 0.98 -0.08 -0.98 2.82 3.38 -0.15 -0.42 115.31 120.86 1k9a h LEU 305 Ca 0.24 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1k9a h LEU 305 Cb 0.15 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1k9a h LEU 305 CO -0.03 0.19 0.62 -0.08 0.09 0.00 0.00 178.44 179.23 1k9a h GLU 306 N -0.35 0.96 0.00 1.13 4.81 -0.26 0.33 114.58 121.20 1k9a h GLU 306 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1k9a h GLU 306 Cb 0.30 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1k9a h GLU 306 CO 0.02 0.64 -0.05 0.78 -0.73 0.00 0.00 179.01 179.67 1k9a h GLY 307 N 0.99 0.00 -2.04 1.92 0.00 0.33 -1.95 103.07 102.32 1k9a h GLY 307 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1k9a h GLY 307 CO -0.25 0.00 0.01 0.70 0.00 0.00 0.00 176.54 177.00 1k9a n ASN 308 N -3.58 4.13 -3.76 0.19 3.02 0.10 -4.98 115.26 110.39 1k9a n ASN 308 Ca -0.02 -3.07 -0.24 0.00 -0.03 0.00 0.00 54.58 51.22 1k9a n ASN 308 Cb 0.15 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1k9a n ASN 308 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k9a n ASN 309 N -0.37 -1.67 -4.18 6.41 5.15 -0.53 -4.99 115.26 115.09 1k9a n ASN 309 Ca 0.24 -0.90 -0.23 0.00 -0.60 0.00 0.00 54.58 53.09 1k9a n ASN 309 Cb 0.98 -3.69 -0.14 0.00 -0.53 0.00 0.00 39.78 36.40 1k9a n ASN 309 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1k9a s PHE 310 N -3.72 1.51 -0.10 1.20 2.99 -0.74 -3.77 117.98 115.35 1k9a s PHE 310 Ca 0.08 -0.33 0.03 0.00 0.00 0.00 0.00 56.93 56.72 1k9a s PHE 310 Cb -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 43.02 42.06 1k9a s PHE 310 CO 0.84 0.03 -0.21 0.08 -0.00 0.00 0.00 175.22 175.96 1k9a s VAL 311 N -0.65 2.37 -0.12 -0.44 1.01 -0.44 -4.05 120.40 118.09 1k9a s VAL 311 Ca 0.05 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.83 1k9a s VAL 311 Cb -0.08 -1.93 -0.25 0.00 0.00 0.00 0.00 36.38 34.13 1k9a s VAL 311 CO 0.01 0.55 0.86 -0.74 0.00 0.00 0.00 175.10 175.78 1k9a h HIS 312 N 6.52 -0.00 0.00 5.22 2.76 -1.86 -2.79 115.15 125.00 1k9a h HIS 312 Ca -0.24 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1k9a h HIS 312 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1k9a h HIS 312 CO 0.47 0.90 0.00 0.54 -1.30 0.00 0.00 177.93 178.54 1k9a n ARG 313 N -4.66 0.00 -2.75 5.26 1.74 -1.26 -3.91 116.66 111.08 1k9a n ARG 313 Ca -0.10 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.95 1k9a n ARG 313 Cb 0.44 -1.98 0.05 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.88 -4.66 0.55 2.03 -1.26 -4.91 116.55 110.18 1k9a n ASP 314 Ca 0.00 -2.24 -0.43 0.00 0.52 0.00 0.00 54.79 52.64 1k9a n ASP 314 Cb 0.00 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 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 -3.73 4.12 -0.04 -2.67 2.96 -1.26 -4.81 118.68 113.25 1k9a s LEU 315 Ca 0.29 1.48 -0.29 0.00 -0.22 0.00 0.00 54.13 55.39 1k9a s LEU 315 Cb 0.34 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.58 1k9a s LEU 315 CO -0.03 -0.72 0.77 0.00 -1.32 0.00 0.00 176.35 175.05 1k9a s ALA 316 N 3.35 -1.79 0.33 5.97 0.00 -1.26 -4.73 121.76 123.63 1k9a s ALA 316 Ca 0.48 1.22 0.10 0.00 0.00 0.00 0.00 51.96 53.77 1k9a s ALA 316 Cb -0.17 0.01 0.91 0.00 0.00 0.00 0.00 23.12 23.87 1k9a s ALA 316 CO 0.10 -0.45 1.73 0.00 0.00 0.00 0.00 175.76 177.14 1k9a h ALA 317 N 2.64 1.83 0.00 0.00 0.00 -1.93 1.23 119.26 123.03 1k9a h ALA 317 Ca -0.25 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1k9a h ALA 317 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k9a h ALA 317 CO 0.36 -0.31 0.00 0.07 0.00 0.00 0.00 179.25 179.37 1k9a h ARG 318 N 0.56 0.00 -0.71 0.00 0.11 -1.95 -1.73 114.38 110.65 1k9a h ARG 318 Ca 0.65 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.73 1k9a h ARG 318 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1k9a h ARG 318 CO -0.47 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.69 1k9a n ASN 319 N -2.90 4.21 -4.35 0.08 3.02 0.42 -4.75 115.26 110.99 1k9a n ASN 319 Ca -0.01 -2.14 -0.33 0.00 -0.03 0.00 0.00 54.58 52.07 1k9a n ASN 319 Cb 0.16 -0.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 1k9a n ASN 319 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k9a s VAL 320 N -1.26 3.00 0.24 2.41 1.01 -0.66 -1.18 120.40 123.97 1k9a s VAL 320 Ca 0.50 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1k9a s VAL 320 Cb 0.28 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1k9a s VAL 320 CO 0.31 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 175.24 1k9a s LEU 321 N 0.53 3.47 -0.11 3.92 1.43 -0.44 0.92 118.68 128.40 1k9a s LEU 321 Ca -0.08 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1k9a s LEU 321 Cb -0.16 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1k9a s LEU 321 CO 0.04 0.00 -0.14 -0.69 0.23 0.00 0.00 176.35 175.79 1k9a s VAL 322 N -2.14 2.98 0.86 -1.59 1.01 -0.42 -0.45 120.40 120.65 1k9a s VAL 322 Ca 0.31 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 1k9a s VAL 322 Cb -0.08 -2.23 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1k9a s VAL 322 CO 0.22 0.54 1.22 -0.94 0.00 0.00 0.00 175.10 176.13 1k9a s SER 323 N 0.14 4.06 0.38 3.32 1.04 0.71 -2.45 113.70 120.90 1k9a s SER 323 Ca -0.07 0.64 0.06 0.00 0.48 0.00 0.00 55.95 57.06 1k9a s SER 323 Cb -0.15 -1.01 0.75 0.00 0.10 0.00 0.00 66.02 65.71 1k9a s SER 323 CO 0.05 -2.17 1.98 -0.08 0.98 0.00 0.00 173.24 174.00 1k9a h GLU 324 N -1.24 0.53 0.00 4.02 4.57 -1.90 0.20 114.58 120.76 1k9a h GLU 324 Ca -0.46 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 1k9a h GLU 324 Cb 1.30 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1k9a h GLU 324 CO 0.58 0.44 0.00 -3.47 -1.18 0.00 0.00 179.01 175.38 1k9a n ASP 325 N -4.39 0.00 -0.72 1.04 2.03 -1.26 -4.88 116.55 108.37 1k9a n ASP 325 Ca 0.02 -1.11 -0.08 0.00 0.52 0.00 0.00 54.79 54.14 1k9a n ASP 325 Cb 0.14 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.52 1k9a n ASP 325 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1k9a n ASN 326 N -0.92 -3.59 -4.77 1.67 2.85 0.71 -5.02 115.26 106.19 1k9a n ASN 326 Ca 0.19 0.13 -0.37 0.00 -0.11 0.00 0.00 54.58 54.42 1k9a n ASN 326 Cb 0.09 -2.18 -0.07 0.00 1.24 0.00 0.00 39.78 38.87 1k9a n ASN 326 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1k9a s VAL 327 N -2.33 5.27 0.12 3.44 1.01 -1.26 -4.73 120.40 121.91 1k9a s VAL 327 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 1k9a s VAL 327 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1k9a s VAL 327 CO 0.00 0.46 0.60 0.00 0.00 0.00 0.00 175.10 176.16 1k9a s ALA 328 N -0.09 3.56 -0.11 5.51 0.00 -1.26 -0.21 121.76 129.16 1k9a s ALA 328 Ca 0.18 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.10 1k9a s ALA 328 Cb -0.14 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.36 1k9a s ALA 328 CO 0.06 0.40 0.27 0.15 0.00 0.00 0.00 175.76 176.64 1k9a s LYS 329 N -1.41 0.27 0.42 0.00 1.02 0.40 -4.65 119.74 115.79 1k9a s LYS 329 Ca 0.33 0.47 -0.26 0.00 0.02 0.00 0.00 55.97 56.54 1k9a s LYS 329 Cb -0.18 0.02 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 1k9a s LYS 329 CO 0.20 -0.10 1.35 0.08 -0.92 0.00 0.00 175.35 175.96 1k9a s VAL 330 N 0.73 2.41 0.00 3.17 1.01 -0.66 -1.32 120.40 125.73 1k9a s VAL 330 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1k9a s VAL 330 Cb -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1k9a s VAL 330 CO -0.05 0.05 0.00 -1.54 0.00 0.00 0.00 175.10 173.57 1k9a n SER 331 N -0.01 3.23 -4.29 3.32 3.41 -0.32 -1.33 113.62 117.64 1k9a n SER 331 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 1k9a n SER 331 Cb 0.43 0.28 -0.09 0.00 -0.26 0.00 0.00 64.21 64.57 1k9a n SER 331 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1k9a s ASP 332 N -2.53 5.76 -0.22 4.04 1.01 -1.26 -4.87 116.67 118.60 1k9a s ASP 332 Ca 0.00 -1.52 0.11 0.00 0.71 0.00 0.00 52.55 51.85 1k9a s ASP 332 Cb 0.00 -2.03 0.69 0.00 1.01 0.00 0.00 42.92 42.59 1k9a s ASP 332 CO 0.00 -0.58 1.59 0.49 0.21 0.00 0.00 175.17 176.87 1k9a n PHE 333 N 4.98 1.86 -0.21 4.23 3.01 -1.26 -4.48 117.46 125.58 1k9a n PHE 333 Ca -0.10 -0.71 0.14 0.00 1.01 0.00 0.00 57.45 57.79 1k9a n PHE 333 Cb 0.43 -0.49 0.45 0.00 -0.01 0.00 0.00 39.48 39.86 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 3.95 0.93 -2.04 1.37 0.00 -1.90 -2.01 103.07 103.37 1k9a h GLY 334 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1k9a h GLY 334 CO 0.47 0.07 0.00 1.04 0.00 0.00 0.00 176.54 178.12 1k9a n LEU 335 N -4.52 3.89 -4.73 3.11 4.32 -1.26 -4.49 117.00 113.32 1k9a n LEU 335 Ca 0.16 -2.45 -0.40 0.00 -0.02 0.00 0.00 56.01 53.30 1k9a n LEU 335 Cb 0.51 -0.45 -0.04 0.00 -1.62 0.00 0.00 43.42 41.82 1k9a n LEU 335 CO 0.31 0.75 0.49 -0.89 -1.22 0.00 0.00 177.39 176.83 1k9a s THR 336 N -1.82 4.87 0.00 -5.08 2.01 -0.76 -4.64 115.64 110.23 1k9a s THR 336 Ca 0.39 1.66 0.00 0.00 0.31 0.00 0.00 61.69 64.05 1k9a s THR 336 Cb 0.26 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1k9a s THR 336 CO 0.17 0.28 0.00 1.17 -0.69 0.00 0.00 174.62 175.55 1k9a n LYS 337 N 3.40 -1.36 0.00 4.92 3.00 -1.05 -4.91 118.16 122.16 1k9a n LYS 337 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1k9a n LYS 337 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.54 1k9a n LYS 337 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1k9a n GLU 338 N -0.51 0.00 -2.79 1.64 -0.58 -1.25 -1.33 120.64 115.82 1k9a n GLU 338 Ca 0.00 0.43 -0.06 0.00 -0.42 0.00 0.00 57.16 57.11 1k9a n GLU 338 Cb 0.00 -0.74 0.01 0.00 -0.57 0.00 0.00 31.44 30.14 1k9a n GLU 338 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k9a n ALA 339 N -1.55 -1.55 -2.42 0.62 0.00 -1.26 -4.41 120.51 109.95 1k9a n ALA 339 Ca 0.00 -1.20 -0.27 0.00 0.00 0.00 0.00 53.44 51.96 1k9a n ALA 339 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 1k9a n ALA 339 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1k9a s GLY 346 N 0.41 1.64 -0.14 0.00 0.00 -1.26 -4.67 107.32 103.31 1k9a s GLY 346 Ca 0.31 -1.57 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 1k9a s GLY 346 CO -0.09 -1.58 0.20 1.17 0.00 0.00 0.00 173.10 172.80 1k9a n LYS 347 N 0.49 -0.72 -4.58 2.90 4.81 -1.26 -4.98 118.16 114.82 1k9a n LYS 347 Ca -0.14 0.84 -0.33 0.00 -0.87 0.00 0.00 58.31 57.80 1k9a n LYS 347 Cb 0.55 -1.12 -0.11 0.00 0.02 0.00 0.00 35.03 34.37 1k9a n LYS 347 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1k9a s LEU 348 N -1.28 3.10 -0.19 3.14 1.02 -1.26 -5.06 118.68 118.14 1k9a s LEU 348 Ca 0.12 -0.11 -0.42 0.00 0.02 0.00 0.00 54.13 53.74 1k9a s LEU 348 Cb -0.01 -1.72 -0.19 0.00 0.02 0.00 0.00 46.19 44.29 1k9a s LEU 348 CO 0.27 0.32 1.42 -2.65 0.02 0.00 0.00 176.35 175.72 1k9a n PRO 349 N 1.91 0.44 -0.12 1.29 -0.02 -1.26 -4.88 135.00 132.35 1k9a n PRO 349 Ca -0.17 0.16 -0.13 0.00 -2.02 0.00 0.00 63.50 61.34 1k9a n PRO 349 Cb 0.53 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.26 1k9a n PRO 349 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1k9a h VAL 350 N 4.11 1.27 0.00 -1.45 2.07 -1.97 -2.70 116.25 117.58 1k9a h VAL 350 Ca -0.47 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.52 1k9a h VAL 350 Cb 1.37 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1k9a h VAL 350 CO 0.84 0.51 0.00 0.11 0.02 0.00 0.00 177.57 179.05 1k9a h LYS 351 N 0.75 0.00 -0.01 1.57 1.57 -1.99 -3.07 116.57 115.39 1k9a h LYS 351 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1k9a h LYS 351 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1k9a h LYS 351 CO 0.09 0.00 -0.06 0.91 -0.57 0.00 0.00 179.45 179.82 1k9a n TRP 352 N -2.93 0.00 -4.30 -1.35 8.01 -1.22 -5.00 117.44 110.65 1k9a n TRP 352 Ca 0.00 0.00 -0.35 0.00 -1.31 0.00 0.00 57.50 55.84 1k9a n TRP 352 Cb 0.26 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.46 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 -0.91 4.39 0.43 -0.99 2.01 -1.02 -3.95 115.64 115.60 1k9a s THR 353 Ca 0.09 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 1k9a s THR 353 Cb 0.07 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 1k9a s THR 353 CO 0.15 0.58 1.30 0.00 -0.69 0.00 0.00 174.62 175.96 1k9a s ALA 354 N -0.60 3.18 0.15 7.40 0.00 -1.26 -4.84 121.76 125.79 1k9a s ALA 354 Ca 0.10 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.99 1k9a s ALA 354 Cb -0.12 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.46 1k9a s ALA 354 CO 0.02 -0.89 1.56 -1.35 0.00 0.00 0.00 175.76 175.10 1k9a h PRO 355 N 2.45 -0.28 0.00 0.00 0.11 -1.95 0.25 132.00 132.58 1k9a h PRO 355 Ca -0.50 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k9a h PRO 355 Cb 1.25 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1k9a h PRO 355 CO 0.62 -0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.37 1k9a n GLU 356 N -5.38 0.04 -0.09 1.05 -0.00 -1.26 -0.50 120.64 114.50 1k9a n GLU 356 Ca -0.01 0.16 -0.08 0.00 -0.00 0.00 0.00 57.16 57.23 1k9a n GLU 356 Cb 0.34 -1.50 -0.16 0.00 -0.00 0.00 0.00 31.44 30.12 1k9a n GLU 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1k9a n ALA 357 N -1.17 1.63 -0.15 -1.84 0.00 0.83 -3.92 120.51 115.89 1k9a n ALA 357 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.20 1k9a n ALA 357 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1k9a n ALA 357 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k9a n LEU 358 N -2.70 0.39 -0.40 0.00 4.77 0.34 -3.83 117.00 115.57 1k9a n LEU 358 Ca -0.30 0.36 0.39 0.00 -0.03 0.00 0.00 56.01 56.43 1k9a n LEU 358 Cb 1.10 -0.42 0.67 0.00 -2.33 0.00 0.00 43.42 42.43 1k9a n LEU 358 CO 0.43 -0.42 1.36 -0.09 -1.33 0.00 0.00 177.39 177.33 1k9a h ARG 359 N 0.00 0.00 -3.00 3.23 9.65 -1.36 -3.32 114.38 119.58 1k9a h ARG 359 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.54 1k9a h ARG 359 Cb 0.00 0.00 -0.37 0.00 -1.39 0.00 0.00 29.97 28.21 1k9a h ARG 359 CO 0.00 0.00 -0.67 -2.00 2.80 0.00 0.00 179.97 180.10 1k9a s GLU 360 N -4.70 0.06 -0.79 0.20 2.12 -1.25 -5.06 118.70 109.28 1k9a s GLU 360 Ca -0.04 0.35 -0.25 0.00 0.36 0.00 0.00 54.97 55.39 1k9a s GLU 360 Cb 0.21 -0.77 -0.15 0.00 0.26 0.00 0.00 34.13 33.68 1k9a s GLU 360 CO 0.70 -0.45 2.40 1.63 -0.54 0.00 0.00 175.26 179.01 1k9a n LYS 361 N 5.31 0.55 -3.26 4.30 4.76 -1.25 -3.96 118.16 124.61 1k9a n LYS 361 Ca -0.05 -0.75 -0.06 0.00 -2.87 0.00 0.00 58.31 54.59 1k9a n LYS 361 Cb 0.50 -3.51 -0.04 0.00 -1.84 0.00 0.00 35.03 30.13 1k9a n LYS 361 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1k9a s LYS 362 N 8.77 0.45 -0.19 1.97 2.20 -1.25 -5.09 119.74 126.60 1k9a s LYS 362 Ca 0.96 0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 56.77 1k9a s LYS 362 Cb -0.18 -0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 35.94 1k9a s LYS 362 CO 0.13 -1.02 0.03 -0.06 -0.36 0.00 0.00 175.35 174.07 1k9a s PHE 363 N 2.62 3.12 0.21 4.03 0.40 -1.26 -4.27 117.98 122.82 1k9a s PHE 363 Ca 0.10 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1k9a s PHE 363 Cb -0.12 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 1k9a s PHE 363 CO -0.29 -0.07 0.05 0.45 0.70 0.00 0.00 175.22 176.06 1k9a s SER 364 N 0.77 1.09 0.40 1.36 0.15 -1.26 -4.81 113.70 111.39 1k9a s SER 364 Ca 0.02 -1.27 0.14 0.00 0.70 0.00 0.00 55.95 55.54 1k9a s SER 364 Cb -0.14 0.16 0.99 0.00 -1.71 0.00 0.00 66.02 65.32 1k9a s SER 364 CO 0.02 -0.66 1.86 0.74 1.20 0.00 0.00 173.24 176.40 1k9a h THR 365 N 2.58 0.73 0.00 6.45 2.02 -1.94 0.33 112.91 123.08 1k9a h THR 365 Ca -0.37 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1k9a h THR 365 Cb 1.22 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1k9a h THR 365 CO 0.61 0.09 -0.01 0.11 0.37 0.00 0.00 175.52 176.69 1k9a h LYS 366 N 0.50 0.00 0.02 6.66 1.79 -1.92 0.51 116.57 124.14 1k9a h LYS 366 Ca 0.46 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.66 1k9a h LYS 366 Cb 1.00 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.61 1k9a h LYS 366 CO -0.19 0.01 -1.52 0.66 -1.08 0.00 0.00 179.45 177.33 1k9a h SER 367 N 0.00 0.07 -0.58 0.86 4.64 -0.74 -2.87 113.55 114.93 1k9a h SER 367 Ca -0.00 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1k9a h SER 367 Cb 0.04 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1k9a h SER 367 CO 0.00 1.09 0.06 0.44 -0.87 0.00 0.00 176.83 177.55 1k9a h ASP 368 N 0.01 0.95 -0.91 4.97 3.32 -0.55 -0.54 116.42 123.68 1k9a h ASP 368 Ca -0.22 -0.28 0.10 0.00 0.02 0.00 0.00 57.03 56.66 1k9a h ASP 368 Cb 1.95 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 41.18 1k9a h ASP 368 CO 0.10 1.00 0.58 0.58 -1.72 0.00 0.00 179.24 179.78 1k9a h VAL 369 N 0.88 0.95 -0.26 -1.35 2.07 -0.09 0.29 116.25 118.74 1k9a h VAL 369 Ca 0.17 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1k9a h VAL 369 Cb 0.47 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1k9a h VAL 369 CO 0.02 0.16 -0.04 -0.25 0.02 0.00 0.00 177.57 177.48 1k9a h TRP 370 N 0.88 0.53 -0.45 1.57 2.91 -1.09 -2.82 115.95 117.47 1k9a h TRP 370 Ca 0.43 -0.11 0.06 0.00 1.13 0.00 0.00 58.89 60.40 1k9a h TRP 370 Cb 0.45 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 28.92 1k9a h TRP 370 CO -0.00 0.67 0.17 0.77 -1.03 0.00 0.00 178.44 179.02 1k9a h SER 371 N 0.23 0.19 -3.90 2.65 0.02 0.49 -3.02 113.55 110.22 1k9a h SER 371 Ca 0.07 0.05 -0.52 0.00 -0.84 0.00 0.00 61.79 60.54 1k9a h SER 371 Cb 0.49 0.03 0.07 0.00 0.14 0.00 0.00 62.40 63.12 1k9a h SER 371 CO 0.02 0.14 0.64 0.12 -1.14 0.00 0.00 176.83 176.61 1k9a s PHE 372 N -6.14 2.97 0.00 3.45 5.36 0.84 -0.35 117.98 124.10 1k9a s PHE 372 Ca -0.13 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1k9a s PHE 372 Cb 0.14 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.11 1k9a s PHE 372 CO 0.72 -1.98 0.00 0.41 -1.46 0.00 0.00 175.22 172.91 1k9a n GLY 373 N 0.74 3.04 0.06 13.12 0.00 -1.26 -4.60 105.19 116.29 1k9a n GLY 373 Ca 0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1k9a n GLY 373 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k9a h ILE 374 N 0.00 1.44 -0.89 -0.61 1.08 -0.55 0.17 117.51 118.15 1k9a h ILE 374 Ca 0.00 -1.32 0.08 0.00 -0.39 0.00 0.00 64.86 63.23 1k9a h ILE 374 Cb 0.00 2.33 -0.07 0.00 -3.07 0.00 0.00 36.82 36.01 1k9a h ILE 374 CO 0.00 0.34 0.54 0.25 -0.69 0.00 0.00 178.15 178.59 1k9a h LEU 375 N -0.57 0.82 -0.54 1.44 5.85 -0.99 0.29 115.31 121.61 1k9a h LEU 375 Ca -0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1k9a h LEU 375 Cb 0.56 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1k9a h LEU 375 CO 0.00 0.49 0.31 -0.07 -0.34 0.00 0.00 178.44 178.84 1k9a h LEU 376 N 0.94 0.50 -0.54 2.25 3.38 -1.75 0.25 115.31 120.33 1k9a h LEU 376 Ca 0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1k9a h LEU 376 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1k9a h LEU 376 CO -0.21 0.35 0.35 -0.25 0.09 0.00 0.00 178.44 178.77 1k9a h TRP 377 N 0.62 0.69 -0.13 1.13 7.01 0.16 -1.34 115.95 124.09 1k9a h TRP 377 Ca 0.22 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1k9a h TRP 377 Cb 0.05 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1k9a h TRP 377 CO -0.07 0.44 -0.03 0.93 -2.79 0.00 0.00 178.44 176.92 1k9a h GLU 378 N 0.74 -0.00 -0.00 2.65 5.08 0.63 -1.17 114.58 122.50 1k9a h GLU 378 Ca 0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1k9a h GLU 378 Cb -0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1k9a h GLU 378 CO -0.04 -0.00 -0.25 0.82 -1.00 0.00 0.00 179.01 178.54 1k9a h ILE 379 N -0.00 0.43 0.00 3.13 2.04 -0.06 -0.45 117.51 122.60 1k9a h ILE 379 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1k9a h ILE 379 Cb 0.10 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1k9a h ILE 379 CO -0.13 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.80 1k9a n TYR 380 N -5.37 0.00 0.10 1.37 4.02 -0.55 -1.29 117.16 115.43 1k9a n TYR 380 Ca -0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.95 1k9a n TYR 380 Cb 0.28 -0.36 0.22 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.36 3.38 -3.65 7.72 7.64 -0.46 -4.74 113.62 122.15 1k9a n SER 381 Ca 0.07 -1.95 -0.22 0.00 1.01 0.00 0.00 58.87 57.77 1k9a n SER 381 Cb 0.15 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.13 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 1.32 -2.19 -0.57 1.43 3.01 -0.41 -2.79 117.46 117.26 1k9a n PHE 382 Ca 0.18 0.90 0.00 0.00 1.01 0.00 0.00 57.45 59.55 1k9a n PHE 382 Cb 0.56 -4.60 0.00 0.00 -0.01 0.00 0.00 39.48 35.43 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 -1.54 1.02 3.54 1.37 0.00 -0.28 -3.50 105.19 105.79 1k9a n GLY 383 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1k9a n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k9a n ARG 384 N -2.00 0.47 -2.72 1.61 0.63 -1.12 -4.93 116.66 108.60 1k9a n ARG 384 Ca 0.00 0.20 -0.40 0.00 -0.92 0.00 0.00 57.85 56.73 1k9a n ARG 384 Cb 0.00 -2.00 -0.06 0.00 0.45 0.00 0.00 32.46 30.85 1k9a n ARG 384 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1k9a s VAL 385 N -1.81 4.03 0.69 5.15 1.01 -1.26 -4.78 120.40 123.43 1k9a s VAL 385 Ca 0.70 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 64.54 1k9a s VAL 385 Cb -0.36 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.73 1k9a s VAL 385 CO 0.53 0.48 1.06 -2.65 0.00 0.00 0.00 175.10 174.52 1k9a n PRO 386 N 1.52 0.69 -3.37 2.72 -0.02 -1.26 -4.18 135.00 131.09 1k9a n PRO 386 Ca -0.02 0.29 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1k9a n PRO 386 Cb 0.47 -2.31 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1k9a n PRO 386 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k9a n TYR 387 N -2.31 -2.49 -2.62 6.00 4.02 -1.26 -4.99 117.16 113.51 1k9a n TYR 387 Ca 0.14 0.88 -0.35 0.00 -0.01 0.00 0.00 57.90 58.57 1k9a n TYR 387 Cb 0.49 -3.71 -0.05 0.00 -0.02 0.00 0.00 39.34 36.05 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 -4.25 4.04 0.00 -0.72 0.02 -1.26 -3.18 135.00 129.65 1k9a s PRO 388 Ca 0.18 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.55 1k9a s PRO 388 Cb -0.05 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.20 1k9a s PRO 388 CO 0.80 -0.22 0.00 0.54 -0.33 0.00 0.00 177.00 177.79 1k9a n ARG 389 N -0.56 -0.16 -3.99 5.54 1.74 -1.26 -4.96 116.66 113.02 1k9a n ARG 389 Ca 0.07 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 1k9a n ARG 389 Cb 0.52 -3.60 -0.16 0.00 -1.02 0.00 0.00 32.46 28.20 1k9a n ARG 389 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k9a s ILE 390 N -2.32 1.61 0.19 0.55 1.01 -1.19 -5.11 121.20 115.95 1k9a s ILE 390 Ca 0.00 -1.01 -0.32 0.00 0.00 0.00 0.00 60.65 59.32 1k9a s ILE 390 Cb 0.00 -1.71 -0.15 0.00 0.01 0.00 0.00 42.46 40.62 1k9a s ILE 390 CO 0.00 0.15 1.31 -2.65 0.00 0.00 0.00 174.94 173.75 1k9a n PRO 391 N 4.69 1.62 0.33 2.79 -0.02 -1.26 -4.81 135.00 138.34 1k9a n PRO 391 Ca -0.14 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1k9a n PRO 391 Cb 0.46 -2.17 0.75 0.00 -0.02 0.00 0.00 33.50 32.52 1k9a n PRO 391 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1k9a h LEU 392 N 4.02 0.00 -0.29 2.45 5.85 -1.99 0.60 115.31 125.95 1k9a h LEU 392 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1k9a h LEU 392 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1k9a h LEU 392 CO 0.74 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 179.13 1k9a n LYS 393 N -2.85 0.19 0.00 1.25 5.02 -1.26 -3.51 118.16 117.00 1k9a n LYS 393 Ca -0.02 0.28 0.01 0.00 -2.02 0.00 0.00 58.31 56.56 1k9a n LYS 393 Cb 0.43 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1k9a n LYS 393 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k9a n ASP 394 N -2.13 0.79 0.00 4.39 8.00 0.21 -4.81 116.55 123.00 1k9a n ASP 394 Ca 0.04 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1k9a n ASP 394 Cb 0.32 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1k9a n ASP 394 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k9a n VAL 395 N -0.28 0.00 -0.17 2.53 0.31 -1.12 -1.65 118.33 117.95 1k9a n VAL 395 Ca 0.01 1.26 -0.07 0.00 -0.01 0.00 0.00 64.34 65.53 1k9a n VAL 395 Cb 0.04 -2.04 -0.01 0.00 -0.91 0.00 0.00 33.84 30.92 1k9a n VAL 395 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1k9a h VAL 396 N 0.00 0.18 0.18 2.52 2.07 -1.88 1.00 116.25 120.32 1k9a h VAL 396 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1k9a h VAL 396 Cb 0.00 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1k9a h VAL 396 CO 0.00 0.00 -0.32 -0.65 0.02 0.00 0.00 177.57 176.62 1k9a h PRO 397 N -0.21 -0.57 -0.06 1.57 0.11 -1.87 -0.93 132.00 130.04 1k9a h PRO 397 Ca 0.20 0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 1k9a h PRO 397 Cb 0.55 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 1k9a h PRO 397 CO -0.62 -0.38 -0.23 -0.09 -0.21 0.00 0.00 178.00 176.47 1k9a h ARG 398 N -0.59 0.10 0.25 1.05 2.43 -1.07 -3.02 114.38 113.54 1k9a h ARG 398 Ca 0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1k9a h ARG 398 Cb 0.59 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1k9a h ARG 398 CO -0.15 0.34 -0.12 0.28 -1.51 0.00 0.00 179.97 178.80 1k9a h VAL 399 N 0.09 0.78 0.00 0.20 2.07 -0.49 -2.24 116.25 116.67 1k9a h VAL 399 Ca 0.02 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1k9a h VAL 399 Cb 0.47 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1k9a h VAL 399 CO 0.03 0.14 0.21 -0.62 0.02 0.00 0.00 177.57 177.35 1k9a n GLU 400 N -5.08 0.05 -1.01 1.57 1.02 -0.38 0.16 120.64 116.98 1k9a n GLU 400 Ca -0.09 0.46 -0.05 0.00 -0.02 0.00 0.00 57.16 57.46 1k9a n GLU 400 Cb 0.26 -1.87 0.31 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.71 3.80 -1.00 3.49 5.02 -1.04 -4.89 118.16 121.82 1k9a n LYS 401 Ca -0.00 -3.10 -0.00 0.00 -2.02 0.00 0.00 58.31 53.18 1k9a n LYS 401 Cb 0.22 -2.21 -0.00 0.00 -0.02 0.00 0.00 35.03 33.02 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 -0.12 0.42 3.76 0.72 0.00 0.42 -5.03 105.19 105.37 1k9a n GLY 402 Ca 0.40 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.00 2.49 -0.15 1.61 5.04 -0.83 -5.00 117.35 118.50 1k9a s TYR 403 Ca 0.00 1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 56.03 1k9a s TYR 403 Cb 0.00 -3.57 0.06 0.00 0.35 0.00 0.00 41.96 38.80 1k9a s TYR 403 CO 0.00 -2.27 0.35 0.15 -1.34 0.00 0.00 175.55 172.44 1k9a s LYS 404 N -3.00 0.31 0.87 4.97 1.02 -1.26 -4.74 119.74 117.90 1k9a s LYS 404 Ca 0.71 0.72 -0.14 0.00 0.02 0.00 0.00 55.97 57.29 1k9a s LYS 404 Cb -0.34 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 1k9a s LYS 404 CO 0.39 -0.18 0.59 -1.33 -0.92 0.00 0.00 175.35 173.90 1k9a n MET 405 N 4.43 -0.08 -2.23 1.68 2.81 -1.26 -4.96 117.12 117.51 1k9a n MET 405 Ca -0.21 0.03 -0.29 0.00 -1.81 0.00 0.00 57.70 55.41 1k9a n MET 405 Cb 0.54 -1.96 0.01 0.00 -0.71 0.00 0.00 33.22 31.10 1k9a n MET 405 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k9a s ASP 406 N -1.92 6.10 0.20 7.83 1.01 -1.26 -5.00 116.67 123.64 1k9a s ASP 406 Ca 0.62 1.12 -0.31 0.00 0.71 0.00 0.00 52.55 54.70 1k9a s ASP 406 Cb -0.26 -2.25 -0.10 0.00 1.01 0.00 0.00 42.92 41.32 1k9a s ASP 406 CO 0.62 -0.82 1.47 0.00 0.21 0.00 0.00 175.17 176.66 1k9a s ALA 407 N -3.01 3.67 0.64 5.23 0.00 -1.26 -4.94 121.76 122.10 1k9a s ALA 407 Ca 0.52 1.31 -0.18 0.00 0.00 0.00 0.00 51.96 53.61 1k9a s ALA 407 Cb -0.11 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.41 1k9a s ALA 407 CO 0.49 -0.73 1.08 -2.30 0.00 0.00 0.00 175.76 174.30 1k9a n PRO 408 N 3.15 0.89 -1.64 0.00 -0.02 -1.26 -4.85 135.00 131.26 1k9a n PRO 408 Ca 0.10 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1k9a n PRO 408 Cb 0.40 -2.31 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1k9a n PRO 408 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k9a n ASP 409 N -1.36 1.78 0.00 2.55 8.00 -1.26 -1.10 116.55 125.16 1k9a n ASP 409 Ca 0.15 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1k9a n ASP 409 Cb 0.48 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 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 1.04 0.97 3.72 0.44 0.00 -1.26 -4.95 105.19 105.15 1k9a n GLY 410 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 1.06 4.10 0.34 0.00 0.02 -1.26 -4.87 135.00 134.39 1k9a s PRO 412 Ca 0.66 2.41 0.13 0.00 0.02 0.00 0.00 61.00 64.21 1k9a s PRO 412 Cb -0.39 -4.10 1.08 0.00 0.02 0.00 0.00 34.50 31.11 1k9a s PRO 412 CO 0.31 -0.97 1.59 -1.35 -0.33 0.00 0.00 177.00 176.24 1k9a h PRO 413 N 10.40 0.04 -0.54 5.54 0.11 -1.92 0.63 132.00 146.27 1k9a h PRO 413 Ca -0.45 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1k9a h PRO 413 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1k9a h PRO 413 CO 0.95 0.03 0.17 0.00 -0.21 0.00 0.00 178.00 178.93 1k9a h ALA 414 N 1.97 1.29 -0.30 -0.75 0.00 -1.90 0.49 119.26 120.06 1k9a h ALA 414 Ca 0.73 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 55.30 1k9a h ALA 414 Cb 1.77 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1k9a h ALA 414 CO -0.80 0.51 -0.48 0.28 0.00 0.00 0.00 179.25 178.76 1k9a h VAL 415 N 0.78 1.28 -0.42 0.00 2.07 -0.10 -2.60 116.25 117.27 1k9a h VAL 415 Ca 0.18 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.95 1k9a h VAL 415 Cb 0.23 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1k9a h VAL 415 CO -0.01 0.54 -0.09 0.22 0.02 0.00 0.00 177.57 178.25 1k9a h TYR 416 N 0.64 0.80 -0.15 1.57 3.20 -0.69 -1.56 116.97 120.78 1k9a h TYR 416 Ca 0.03 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 1k9a h TYR 416 Cb 1.06 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1k9a h TYR 416 CO 0.06 0.80 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.86 1k9a h ASP 417 N 0.67 0.22 -0.49 -2.11 3.32 -0.75 0.34 116.42 117.62 1k9a h ASP 417 Ca 0.12 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1k9a h ASP 417 Cb 0.55 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1k9a h ASP 417 CO 0.03 0.33 -0.07 0.58 -1.72 0.00 0.00 179.24 178.39 1k9a h VAL 418 N 0.23 1.27 0.66 -1.35 2.07 -0.92 -0.58 116.25 117.62 1k9a h VAL 418 Ca 0.05 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1k9a h VAL 418 Cb 0.30 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1k9a h VAL 418 CO 0.01 0.42 -0.46 0.24 0.02 0.00 0.00 177.57 177.80 1k9a h MET 419 N 0.78 -1.03 -0.80 1.57 2.86 -0.43 -2.21 114.93 115.66 1k9a h MET 419 Ca 0.13 0.07 0.19 0.00 -2.06 0.00 0.00 59.70 58.03 1k9a h MET 419 Cb 0.62 0.23 -0.12 0.00 0.06 0.00 0.00 31.60 32.39 1k9a h MET 419 CO 0.04 -0.69 0.24 0.87 1.06 0.00 0.00 176.91 178.44 1k9a h LYS 420 N -1.07 0.29 -0.17 1.72 1.57 -0.90 0.26 116.57 118.28 1k9a h LYS 420 Ca -0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1k9a h LYS 420 Cb 0.87 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1k9a h LYS 420 CO 0.05 0.19 0.10 -0.97 -0.57 0.00 0.00 179.45 178.25 1k9a h ASN 421 N 0.30 0.19 1.42 0.86 -1.24 -0.90 0.69 115.58 116.90 1k9a h ASN 421 Ca 0.47 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.48 1k9a h ASN 421 Cb 0.85 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1k9a h ASN 421 CO -0.54 0.15 0.00 0.00 -1.29 0.00 0.00 177.43 175.75 1k9a n TRP 423 N -2.53 2.56 -2.26 0.00 8.01 0.23 -4.15 117.44 119.30 1k9a n TRP 423 Ca 0.04 -1.42 -0.42 0.00 -1.31 0.00 0.00 57.50 54.39 1k9a n TRP 423 Cb 0.40 -0.77 -0.03 0.00 -2.01 0.00 0.00 31.31 28.91 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 -2.91 3.02 0.52 -5.99 3.76 -1.24 -4.87 115.29 107.58 1k9a s HIS 424 Ca 0.52 0.94 0.20 0.00 -0.15 0.00 0.00 55.06 56.57 1k9a s HIS 424 Cb 0.42 -3.61 1.32 0.00 1.11 0.00 0.00 32.58 31.82 1k9a s HIS 424 CO 0.11 -2.18 2.08 -0.07 -0.85 0.00 0.00 174.74 173.84 1k9a h LEU 425 N 7.91 0.01 -8.27 0.89 3.38 -1.95 -3.34 115.31 113.94 1k9a h LEU 425 Ca -0.39 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.96 1k9a h LEU 425 Cb 1.19 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 1k9a h LEU 425 CO 0.88 0.00 0.59 -0.62 0.09 0.00 0.00 178.44 179.39 1k9a s ASP 426 N -6.68 6.18 0.24 -0.43 2.15 -1.26 -4.89 116.67 111.97 1k9a s ASP 426 Ca -0.05 -0.91 -0.14 0.00 0.43 0.00 0.00 52.55 51.88 1k9a s ASP 426 Cb 0.18 -2.43 0.30 0.00 -0.30 0.00 0.00 42.92 40.67 1k9a s ASP 426 CO 0.70 -1.47 1.48 0.00 -0.17 0.00 0.00 175.17 175.71 1k9a n ALA 427 N 7.85 -0.00 0.01 3.66 0.00 -1.25 -0.16 120.51 130.60 1k9a n ALA 427 Ca -0.03 0.98 0.22 0.00 0.00 0.00 0.00 53.44 54.62 1k9a n ALA 427 Cb 0.46 -0.49 0.73 0.00 0.00 0.00 0.00 19.45 20.14 1k9a n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9a h ALA 428 N 1.51 2.38 0.00 0.00 0.00 -1.92 -1.00 119.26 120.24 1k9a h ALA 428 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1k9a h ALA 428 Cb 0.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1k9a h ALA 428 CO -0.96 -0.76 0.00 1.15 0.00 0.00 0.00 179.25 178.68 1k9a h THR 429 N 0.00 0.00 -4.00 0.00 2.02 -0.91 -3.45 112.91 106.56 1k9a h THR 429 Ca 0.26 -0.63 -0.48 0.00 0.77 0.00 0.00 66.41 66.33 1k9a h THR 429 Cb 1.21 1.59 0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1k9a h THR 429 CO -0.00 0.00 0.41 -0.13 0.37 0.00 0.00 175.52 176.16 1k9a s ARG 430 N -3.28 4.01 0.82 6.66 0.52 -0.38 -4.99 118.95 122.31 1k9a s ARG 430 Ca 0.06 1.48 -0.11 0.00 -0.52 0.00 0.00 55.73 56.64 1k9a s ARG 430 Cb 0.09 -2.38 0.09 0.00 0.52 0.00 0.00 34.95 33.26 1k9a s ARG 430 CO 0.58 -0.27 1.09 -1.25 0.02 0.00 0.00 175.30 175.47 1k9a s PRO 431 N -2.77 1.86 0.75 3.54 0.04 -1.26 -5.05 135.00 132.12 1k9a s PRO 431 Ca 0.61 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 1k9a s PRO 431 Cb -0.20 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.56 1k9a s PRO 431 CO 0.25 -1.84 1.06 0.95 0.04 0.00 0.00 177.00 177.47 1k9a s THR 432 N -2.98 2.21 0.28 1.26 -4.23 -1.26 -4.89 115.64 106.03 1k9a s THR 432 Ca 0.62 -0.28 0.10 0.00 -1.18 0.00 0.00 61.69 60.95 1k9a s THR 432 Cb -0.17 -2.93 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 1k9a s THR 432 CO 0.56 0.00 1.64 -0.26 -0.54 0.00 0.00 174.62 176.02 1k9a h PHE 433 N -0.76 0.04 -0.83 3.99 -1.00 -1.93 -1.41 116.94 115.04 1k9a h PHE 433 Ca -0.43 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.30 1k9a h PHE 433 Cb 1.29 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.81 1k9a h PHE 433 CO -0.00 0.60 0.38 1.25 -1.61 0.00 0.00 178.31 178.93 1k9a h LEU 434 N 0.03 1.11 -0.52 1.54 6.46 -1.93 0.24 115.31 122.23 1k9a h LEU 434 Ca -0.01 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.48 1k9a h LEU 434 Cb 1.02 -0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1k9a h LEU 434 CO 0.08 0.94 -0.16 1.56 -0.62 0.00 0.00 178.44 180.24 1k9a h GLN 435 N 1.19 1.03 0.07 1.25 4.20 -1.84 -0.61 115.11 120.41 1k9a h GLN 435 Ca 0.28 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1k9a h GLN 435 Cb 0.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1k9a h GLN 435 CO -0.03 1.10 -0.04 -0.07 -0.67 0.00 0.00 178.83 179.12 1k9a h LEU 436 N 0.90 -0.08 -0.13 1.46 3.38 -0.70 -1.18 115.31 118.96 1k9a h LEU 436 Ca 0.13 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1k9a h LEU 436 Cb 0.74 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1k9a h LEU 436 CO 0.06 0.01 -0.29 -0.09 0.09 0.00 0.00 178.44 178.21 1k9a h ARG 437 N -0.17 -0.35 -0.84 1.13 2.43 -0.40 -0.13 114.38 116.05 1k9a h ARG 437 Ca -0.01 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.35 1k9a h ARG 437 Cb 0.14 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.66 1k9a h ARG 437 CO 0.02 -0.23 0.38 0.93 -1.51 0.00 0.00 179.97 179.56 1k9a h GLU 438 N -0.36 0.49 -0.17 0.20 4.39 -0.88 -0.01 114.58 118.24 1k9a h GLU 438 Ca 0.10 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 59.58 1k9a h GLU 438 Cb 0.51 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1k9a h GLU 438 CO -0.34 0.32 -0.68 0.37 -1.16 0.00 0.00 179.01 177.53 1k9a h GLN 439 N 0.50 0.66 -0.44 2.33 5.75 -0.40 -0.03 115.11 123.49 1k9a h GLN 439 Ca 0.48 -0.49 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1k9a h GLN 439 Cb 0.77 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 1k9a h GLN 439 CO -0.43 1.11 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.79 1k9a h LEU 440 N 0.47 0.68 -0.43 -2.39 3.38 -0.13 -0.67 115.31 116.22 1k9a h LEU 440 Ca -0.02 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1k9a h LEU 440 Cb 1.27 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1k9a h LEU 440 CO 0.13 0.75 -0.56 -0.33 0.09 0.00 0.00 178.44 178.52 1k9a h GLU 441 N 0.67 0.66 -0.99 1.13 5.08 -0.91 -0.66 114.58 119.56 1k9a h GLU 441 Ca 0.13 -0.42 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1k9a h GLU 441 Cb 0.42 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1k9a h GLU 441 CO 0.02 1.04 0.65 1.25 -1.00 0.00 0.00 179.01 180.97 1k9a h HIS 442 N 0.50 1.21 0.16 4.33 2.76 -0.34 0.28 115.15 124.04 1k9a h HIS 442 Ca 0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1k9a h HIS 442 Cb 1.13 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1k9a h HIS 442 CO 0.05 0.70 -0.08 0.82 -1.30 0.00 0.00 177.93 178.13 1k9a h ILE 443 N 1.25 0.96 -0.37 6.26 2.04 -0.81 -2.66 117.51 124.17 1k9a h ILE 443 Ca 0.39 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1k9a h ILE 443 Cb 0.01 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1k9a h ILE 443 CO -0.12 0.13 0.10 -0.09 0.00 0.00 0.00 178.15 178.16 1k9a h ARG 444 N -0.48 0.23 -0.94 2.37 2.43 -0.58 0.29 114.38 117.71 1k9a h ARG 444 Ca -0.02 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.28 1k9a h ARG 444 Cb 0.37 -0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.78 1k9a h ARG 444 CO 0.04 0.15 0.55 1.15 -1.51 0.00 0.00 179.97 180.35 1k9a h THR 445 N 0.24 0.81 -0.23 0.20 2.02 -0.42 -1.27 112.91 114.25 1k9a h THR 445 Ca 0.18 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1k9a h THR 445 Cb 0.18 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1k9a h THR 445 CO -0.21 0.15 0.00 1.41 0.37 0.00 0.00 175.52 177.24 1k9a n HIS 446 N -4.75 0.28 -2.63 3.16 8.25 -0.81 -4.95 115.22 113.78 1k9a n HIS 446 Ca 0.19 -0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.30 1k9a n HIS 446 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 1.23 -2.78 0.00 -0.41 1.02 0.95 -4.83 120.64 115.82 1k9a n GLU 447 Ca 0.17 0.93 0.08 0.00 -0.02 0.00 0.00 57.16 58.32 1k9a n GLU 447 Cb 0.56 -5.65 0.48 0.00 -0.02 0.00 0.00 31.44 26.81 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 -3.33 0.00 -0.00 -4.62 4.77 -0.69 -1.64 117.00 111.48 1k9a n LEU 448 Ca -0.19 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1k9a n LEU 448 Cb 0.66 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.63 1k9a n LEU 448 CO 0.34 0.00 -0.15 0.00 -1.33 0.00 0.00 177.39 176.26 1k9a n HIS 449 N -0.97 0.00 0.92 -1.77 1.44 -1.26 -4.64 115.22 108.94 1k9a n HIS 449 Ca 0.12 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.94 1k9a n HIS 449 Cb 0.06 -0.07 0.09 0.00 0.12 0.00 0.00 29.99 30.19 1k9a n HIS 449 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81