#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6k n ARG 2 N 0.00 1.57 -1.69 3.17 3.00 -1.26 -4.84 116.66 116.61 1f6k n ARG 2 Ca 0.00 0.57 -0.44 0.00 -0.00 0.00 0.00 57.85 57.98 1f6k n ARG 2 Cb 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 32.46 30.15 1f6k n ARG 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1f6k n ASP 3 N 3.42 3.46 -0.53 6.15 -0.08 -1.26 -4.89 116.55 122.82 1f6k n ASP 3 Ca 0.19 1.09 0.05 0.00 -1.51 0.00 0.00 54.79 54.60 1f6k n ASP 3 Cb 0.23 -1.50 0.12 0.00 2.34 0.00 0.00 41.12 42.31 1f6k n ASP 3 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1f6k n LEU 4 N 3.40 2.68 -4.90 -2.67 4.77 -1.26 -4.81 117.00 114.21 1f6k n LEU 4 Ca 0.15 -1.88 -0.29 0.00 -0.03 0.00 0.00 56.01 53.96 1f6k n LEU 4 Cb 0.32 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1f6k n LEU 4 CO 0.64 0.66 0.76 -0.54 -1.33 0.00 0.00 177.39 177.57 1f6k s LYS 5 N -0.98 2.30 0.00 3.23 1.02 -1.26 -4.95 119.74 119.10 1f6k s LYS 5 Ca 0.19 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1f6k s LYS 5 Cb 0.10 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 1f6k s LYS 5 CO 0.13 -1.37 0.00 0.41 -0.92 0.00 0.00 175.35 173.60 1f6k n GLY 6 N -3.17 -1.19 3.56 -3.33 0.00 -0.60 -4.91 105.19 95.55 1f6k n GLY 6 Ca 0.08 -1.97 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1f6k n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f6k s ILE 7 N 0.00 5.05 -0.10 -0.61 -1.09 -1.26 -0.78 121.20 122.41 1f6k s ILE 7 Ca 0.00 0.33 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 1f6k s ILE 7 Cb 0.00 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1f6k s ILE 7 CO 0.00 -0.17 -0.24 -0.36 -1.23 0.00 0.00 174.94 172.95 1f6k s PHE 8 N 2.32 2.57 0.19 3.97 0.40 0.09 -0.32 117.98 127.20 1f6k s PHE 8 Ca 0.18 -1.04 -0.26 0.00 -0.60 0.00 0.00 56.93 55.21 1f6k s PHE 8 Cb -0.16 -1.71 -0.08 0.00 0.51 0.00 0.00 43.02 41.58 1f6k s PHE 8 CO 0.13 -0.41 0.82 -1.12 0.70 0.00 0.00 175.22 175.33 1f6k s SER 9 N 0.34 7.44 -0.59 1.36 0.01 -1.03 -1.49 113.70 119.73 1f6k s SER 9 Ca -0.19 1.72 -0.26 0.00 1.31 0.00 0.00 55.95 58.53 1f6k s SER 9 Cb -0.18 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.56 1f6k s SER 9 CO 0.09 0.19 1.09 0.00 0.41 0.00 0.00 173.24 175.02 1f6k s ALA 10 N -1.18 3.04 0.09 1.44 0.00 -0.25 -0.89 121.76 124.00 1f6k s ALA 10 Ca 0.37 -1.12 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 1f6k s ALA 10 Cb -0.24 -3.94 -0.12 0.00 0.00 0.00 0.00 23.12 18.83 1f6k s ALA 10 CO 0.27 -2.64 1.78 -0.11 0.00 0.00 0.00 175.76 175.06 1f6k n LEU 11 N 8.13 3.66 -4.86 0.00 7.94 -0.39 -4.58 117.00 126.90 1f6k n LEU 11 Ca 0.04 1.01 -0.31 0.00 -1.11 0.00 0.00 56.01 55.64 1f6k n LEU 11 Cb 0.48 -1.47 -0.04 0.00 0.53 0.00 0.00 43.42 42.91 1f6k n LEU 11 CO 0.68 0.00 0.46 -0.76 -1.11 0.00 0.00 177.39 176.66 1f6k s LEU 12 N 2.54 3.90 -0.00 -1.96 1.43 -1.26 -3.07 118.68 120.26 1f6k s LEU 12 Ca 0.84 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 55.25 1f6k s LEU 12 Cb -0.58 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 41.51 1f6k s LEU 12 CO 0.41 -0.34 -0.23 -0.69 0.23 0.00 0.00 176.35 175.72 1f6k s VAL 13 N -2.24 2.32 -0.20 -1.59 1.01 -1.26 -4.93 120.40 113.51 1f6k s VAL 13 Ca 0.53 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1f6k s VAL 13 Cb -0.10 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1f6k s VAL 13 CO 0.25 0.51 0.51 -0.55 0.00 0.00 0.00 175.10 175.83 1f6k s SER 14 N -0.85 6.55 0.14 3.32 0.15 -1.26 -4.91 113.70 116.85 1f6k s SER 14 Ca 0.11 0.66 0.07 0.00 0.70 0.00 0.00 55.95 57.50 1f6k s SER 14 Cb -0.10 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 1f6k s SER 14 CO 0.01 -0.18 -0.06 -0.36 1.20 0.00 0.00 173.24 173.85 1f6k s PHE 15 N 1.65 2.77 0.82 3.44 0.08 -1.15 -0.98 117.98 124.61 1f6k s PHE 15 Ca 0.24 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 1f6k s PHE 15 Cb -0.15 -1.39 0.09 0.00 -0.57 0.00 0.00 43.02 41.00 1f6k s PHE 15 CO 0.09 0.48 1.19 -0.80 -0.10 0.00 0.00 175.22 176.08 1f6k s ASN 16 N -2.60 4.39 0.49 1.36 0.01 0.92 -0.86 114.94 118.65 1f6k s ASN 16 Ca 0.24 0.75 0.16 0.00 -0.71 0.00 0.00 52.86 53.31 1f6k s ASN 16 Cb -0.10 -1.21 1.19 0.00 0.41 0.00 0.00 41.25 41.54 1f6k s ASN 16 CO 0.16 -1.98 2.07 -0.08 -1.51 0.00 0.00 177.10 175.76 1f6k h GLU 17 N -1.11 0.16 -0.06 -0.60 4.81 -1.95 -1.30 114.58 114.53 1f6k h GLU 17 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1f6k h GLU 17 Cb 1.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1f6k h GLU 17 CO 0.64 0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 1f6k n ASP 18 N -4.48 1.03 0.00 1.04 5.75 -1.26 -4.92 116.55 113.71 1f6k n ASP 18 Ca 0.03 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1f6k n ASP 18 Cb 0.25 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1f6k n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f6k n GLY 19 N 1.06 1.05 3.80 6.12 0.00 -0.49 -5.04 105.19 111.68 1f6k n GLY 19 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1f6k n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f6k s THR 20 N -2.26 3.63 0.23 2.61 -4.23 -1.26 -4.71 115.64 109.65 1f6k s THR 20 Ca 0.00 0.53 -0.30 0.00 -1.18 0.00 0.00 61.69 60.74 1f6k s THR 20 Cb 0.00 -3.19 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 1f6k s THR 20 CO 0.00 -0.69 1.23 -0.63 -0.54 0.00 0.00 174.62 173.99 1f6k s ILE 21 N -3.02 3.33 -0.77 2.99 1.01 -1.26 -0.05 121.20 123.43 1f6k s ILE 21 Ca 0.60 1.17 -0.17 0.00 0.00 0.00 0.00 60.65 62.25 1f6k s ILE 21 Cb -0.15 -3.75 0.16 0.00 0.01 0.00 0.00 42.46 38.73 1f6k s ILE 21 CO 0.55 0.21 0.83 0.21 0.00 0.00 0.00 174.94 176.74 1f6k s ASN 22 N -0.07 6.52 0.19 3.58 3.84 -0.16 -4.71 114.94 124.14 1f6k s ASN 22 Ca 0.52 -2.11 -0.12 0.00 0.21 0.00 0.00 52.86 51.36 1f6k s ASN 22 Cb -0.35 -2.29 0.12 0.00 -0.55 0.00 0.00 41.25 38.18 1f6k s ASN 22 CO 0.40 -0.87 1.86 -0.08 -2.79 0.00 0.00 177.10 175.62 1f6k h GLU 23 N 8.53 0.87 -0.65 0.43 4.81 -1.94 -0.32 114.58 126.31 1f6k h GLU 23 Ca -0.02 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1f6k h GLU 23 Cb 1.05 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1f6k h GLU 23 CO 0.96 0.57 0.41 -0.22 -0.73 0.00 0.00 179.01 180.01 1f6k h LYS 24 N 0.89 0.80 -0.49 1.92 3.64 -1.97 -1.09 116.57 120.28 1f6k h LYS 24 Ca 0.24 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1f6k h LYS 24 Cb -0.10 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1f6k h LYS 24 CO -0.05 0.53 -0.14 0.78 -2.27 0.00 0.00 179.45 178.30 1f6k h GLY 25 N 0.83 1.04 0.79 5.01 0.00 -1.68 -1.67 103.07 107.39 1f6k h GLY 25 Ca 0.25 -0.87 0.03 0.00 0.00 0.00 0.00 47.33 46.74 1f6k h GLY 25 CO -0.08 0.79 0.24 -2.00 0.00 0.00 0.00 176.54 175.49 1f6k h LEU 26 N 0.81 0.35 -0.89 3.11 5.85 -0.72 -0.66 115.31 123.16 1f6k h LEU 26 Ca 0.12 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1f6k h LEU 26 Cb 0.70 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1f6k h LEU 26 CO 0.05 0.25 0.59 0.03 -0.34 0.00 0.00 178.44 179.02 1f6k h ARG 27 N 0.47 1.17 -0.53 1.25 3.08 -0.99 -1.00 114.38 117.82 1f6k h ARG 27 Ca 0.19 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1f6k h ARG 27 Cb 0.08 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1f6k h ARG 27 CO -0.13 0.77 0.21 1.96 -1.07 0.00 0.00 179.97 181.72 1f6k h GLN 28 N 1.20 0.76 -0.52 0.04 4.20 -0.71 0.52 115.11 120.60 1f6k h GLN 28 Ca 0.33 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 1f6k h GLN 28 Cb -0.12 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 1f6k h GLN 28 CO -0.08 0.62 0.05 0.82 -0.67 0.00 0.00 178.83 179.58 1f6k h ILE 29 N 0.75 1.26 -0.32 2.54 2.04 -0.42 -1.13 117.51 122.22 1f6k h ILE 29 Ca 0.18 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1f6k h ILE 29 Cb 0.14 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1f6k h ILE 29 CO -0.02 0.36 0.16 0.40 0.00 0.00 0.00 178.15 179.05 1f6k h ILE 30 N 0.76 1.16 -0.78 -0.67 2.04 -0.71 -1.75 117.51 117.55 1f6k h ILE 30 Ca 0.15 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1f6k h ILE 30 Cb 0.45 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1f6k h ILE 30 CO 0.02 0.16 0.43 0.03 0.00 0.00 0.00 178.15 178.79 1f6k h ARG 31 N 0.39 1.09 -0.56 2.37 2.47 -0.81 -1.38 114.38 117.95 1f6k h ARG 31 Ca 0.11 -0.13 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1f6k h ARG 31 Cb 0.11 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.19 1f6k h ARG 31 CO -0.01 0.80 0.37 1.25 0.56 0.00 0.00 179.97 182.94 1f6k h HIS 32 N 1.08 0.70 -0.64 3.04 2.76 -0.95 0.11 115.15 121.25 1f6k h HIS 32 Ca 0.28 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.43 1f6k h HIS 32 Cb 0.03 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 1f6k h HIS 32 CO 0.00 0.44 0.26 -0.91 -1.30 0.00 0.00 177.93 176.42 1f6k h ASN 33 N 0.75 0.88 0.02 3.26 2.35 -0.82 -0.53 115.58 121.49 1f6k h ASN 33 Ca 0.21 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1f6k h ASN 33 Cb -0.08 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1f6k h ASN 33 CO -0.05 0.80 -0.01 0.40 -1.65 0.00 0.00 177.43 176.92 1f6k h ILE 34 N 0.89 1.50 0.06 2.81 2.04 -0.98 -2.49 117.51 121.35 1f6k h ILE 34 Ca 0.21 -1.78 -0.24 0.00 1.00 0.00 0.00 64.86 64.05 1f6k h ILE 34 Cb 0.19 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1f6k h ILE 34 CO -0.02 0.45 -1.11 0.44 0.00 0.00 0.00 178.15 177.91 1f6k h ASP 35 N -0.82 0.20 0.00 1.72 3.32 -0.87 -3.26 116.42 116.71 1f6k h ASP 35 Ca -0.00 -0.22 -0.22 0.00 0.02 0.00 0.00 57.03 56.61 1f6k h ASP 35 Cb 0.75 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1f6k h ASP 35 CO 0.00 1.16 -1.79 0.29 -1.72 0.00 0.00 179.24 177.19 1f6k n LYS 36 N -3.44 0.33 0.08 3.56 4.76 -0.32 -4.60 118.16 118.52 1f6k n LYS 36 Ca -0.04 0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.63 1f6k n LYS 36 Cb 0.97 -1.18 0.46 0.00 -1.84 0.00 0.00 35.03 33.44 1f6k n LYS 36 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1f6k n MET 37 N -3.16 0.17 -3.79 1.97 2.81 -0.55 -4.84 117.12 109.73 1f6k n MET 37 Ca -0.26 0.20 -0.29 0.00 -1.81 0.00 0.00 57.70 55.54 1f6k n MET 37 Cb 0.74 -1.72 0.02 0.00 -0.71 0.00 0.00 33.22 31.55 1f6k n MET 37 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1f6k n LYS 38 N -2.03 -5.27 -1.97 0.03 4.76 -0.96 -4.30 118.16 108.42 1f6k n LYS 38 Ca 0.05 0.61 -0.34 0.00 -2.87 0.00 0.00 58.31 55.76 1f6k n LYS 38 Cb 0.36 -5.48 0.03 0.00 -1.84 0.00 0.00 35.03 28.10 1f6k n LYS 38 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1f6k s VAL 39 N -3.25 3.17 0.15 -0.18 -7.23 -1.07 -4.95 120.40 107.05 1f6k s VAL 39 Ca 0.62 0.62 0.12 0.00 -1.81 0.00 0.00 61.98 61.53 1f6k s VAL 39 Cb -0.31 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.44 1f6k s VAL 39 CO 0.76 -0.26 1.54 0.44 -0.31 0.00 0.00 175.10 177.26 1f6k h ASP 40 N 0.53 0.00 -1.86 4.85 3.32 -1.02 -3.47 116.42 118.76 1f6k h ASP 40 Ca -0.48 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.71 1f6k h ASP 40 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 1f6k h ASP 40 CO 0.55 0.64 0.47 0.61 -1.72 0.00 0.00 179.24 179.79 1f6k n GLY 41 N 0.66 0.70 3.19 2.75 0.00 -1.13 -1.83 105.19 109.52 1f6k n GLY 41 Ca -0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 1f6k n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1f6k s LEU 42 N 0.00 2.09 -0.36 0.99 1.43 -0.58 -2.48 118.68 119.77 1f6k s LEU 42 Ca 0.17 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.80 1f6k s LEU 42 Cb -0.02 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.37 1f6k s LEU 42 CO 0.03 0.17 0.15 -0.47 0.23 0.00 0.00 176.35 176.46 1f6k s TYR 43 N -0.59 3.27 -0.13 0.29 5.04 -0.07 -1.45 117.35 123.71 1f6k s TYR 43 Ca 0.06 -1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 53.35 1f6k s TYR 43 Cb -0.07 -2.41 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 1f6k s TYR 43 CO 0.00 -0.72 -0.02 0.08 -1.34 0.00 0.00 175.55 173.55 1f6k s VAL 44 N 1.45 4.09 0.00 3.14 1.01 -0.06 -1.26 120.40 128.76 1f6k s VAL 44 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1f6k s VAL 44 Cb -0.20 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1f6k s VAL 44 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1f6k n GLY 45 N 3.03 0.74 0.02 4.51 0.00 -1.26 -0.39 105.19 111.83 1f6k n GLY 45 Ca -0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1f6k n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f6k n GLY 46 N -2.44 0.15 0.26 -0.02 0.00 -1.26 -4.62 105.19 97.27 1f6k n GLY 46 Ca 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.15 1f6k n GLY 46 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1f6k h SER 47 N -0.00 0.53 0.01 1.61 0.02 -1.97 -1.42 113.55 112.32 1f6k h SER 47 Ca -0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1f6k h SER 47 Cb 0.01 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1f6k h SER 47 CO 0.00 0.34 -0.01 0.74 -1.14 0.00 0.00 176.83 176.76 1f6k h THR 48 N 0.67 0.71 -0.03 -2.27 2.02 -1.92 -0.85 112.91 111.24 1f6k h THR 48 Ca 0.31 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.47 1f6k h THR 48 Cb 0.23 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1f6k h THR 48 CO -0.20 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.30 1f6k n GLY 49 N -1.38 -0.75 2.37 2.16 0.00 -0.54 -4.51 105.19 102.54 1f6k n GLY 49 Ca -0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 1f6k n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f6k n GLU 50 N -0.59 -1.13 -0.19 1.61 1.02 -0.32 -4.51 120.64 116.52 1f6k n GLU 50 Ca 0.16 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.20 1f6k n GLU 50 Cb 0.12 -5.14 0.09 0.00 -0.02 0.00 0.00 31.44 26.50 1f6k n GLU 50 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1f6k h ASN 51 N 0.00 -0.20 0.38 1.62 -0.73 -1.72 -2.76 115.58 112.18 1f6k h ASN 51 Ca -0.33 0.14 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1f6k h ASN 51 Cb 1.12 0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.94 1f6k h ASN 51 CO 0.44 -0.08 0.00 0.49 -0.37 0.00 0.00 177.43 177.91 1f6k n PHE 52 N -5.24 0.00 0.56 0.67 3.72 -1.26 -1.46 117.46 114.45 1f6k n PHE 52 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.60 1f6k n PHE 52 Cb 0.33 -0.44 0.25 0.00 -0.94 0.00 0.00 39.48 38.68 1f6k n PHE 52 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1f6k n MET 53 N -1.44 2.32 -3.94 -1.08 2.81 -1.04 -4.99 117.12 109.75 1f6k n MET 53 Ca 0.04 -1.99 -0.22 0.00 -1.81 0.00 0.00 57.70 53.72 1f6k n MET 53 Cb 0.14 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.12 1f6k n MET 53 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1f6k s LEU 54 N -1.51 3.48 0.74 4.03 1.43 -0.53 -4.97 118.68 121.34 1f6k s LEU 54 Ca 0.37 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.78 1f6k s LEU 54 Cb 0.21 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.45 1f6k s LEU 54 CO 0.30 -0.31 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 1f6k s SER 55 N -3.92 4.88 0.22 2.29 1.04 -1.26 -4.89 113.70 112.06 1f6k s SER 55 Ca 0.39 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.51 1f6k s SER 55 Cb -0.05 -1.41 0.18 0.00 0.10 0.00 0.00 66.02 64.84 1f6k s SER 55 CO 0.25 -1.63 1.82 0.74 0.98 0.00 0.00 173.24 175.40 1f6k h THR 56 N -0.77 1.25 -0.33 2.02 2.02 -1.99 -1.00 112.91 114.12 1f6k h THR 56 Ca -0.45 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 65.93 1f6k h THR 56 Cb 1.30 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1f6k h THR 56 CO 0.64 0.30 -0.20 -0.33 0.37 0.00 0.00 175.52 176.30 1f6k h GLU 57 N 1.18 0.62 -0.58 6.66 4.39 -1.99 -0.61 114.58 124.23 1f6k h GLU 57 Ca 0.29 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1f6k h GLU 57 Cb 0.10 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1f6k h GLU 57 CO -0.04 0.78 0.07 0.93 -1.16 0.00 0.00 179.01 179.59 1f6k h GLU 58 N 0.55 0.99 -0.78 2.33 5.08 -1.80 -0.48 114.58 120.46 1f6k h GLU 58 Ca 0.08 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 1f6k h GLU 58 Cb 0.65 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1f6k h GLU 58 CO 0.05 0.95 0.39 0.87 -1.00 0.00 0.00 179.01 180.26 1f6k h LYS 59 N 0.88 1.12 -0.80 2.33 1.57 -0.80 -1.30 116.57 119.57 1f6k h LYS 59 Ca 0.17 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1f6k h LYS 59 Cb 0.46 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1f6k h LYS 59 CO 0.02 0.86 0.37 0.87 -0.57 0.00 0.00 179.45 180.99 1f6k h LYS 60 N 1.10 1.16 -0.70 3.15 1.57 -0.67 -1.45 116.57 120.74 1f6k h LYS 60 Ca 0.27 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1f6k h LYS 60 Cb 0.10 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1f6k h LYS 60 CO -0.04 0.91 0.39 1.49 -0.57 0.00 0.00 179.45 181.63 1f6k h GLU 61 N 1.14 0.97 -0.70 3.15 4.81 -0.42 -0.44 114.58 123.08 1f6k h GLU 61 Ca 0.27 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1f6k h GLU 61 Cb 0.15 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1f6k h GLU 61 CO -0.03 0.72 0.20 0.82 -0.73 0.00 0.00 179.01 179.99 1f6k h ILE 62 N 0.95 1.26 -0.63 2.32 2.04 -0.99 -0.63 117.51 121.82 1f6k h ILE 62 Ca 0.25 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1f6k h ILE 62 Cb 0.03 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1f6k h ILE 62 CO -0.04 0.35 0.37 -0.26 0.00 0.00 0.00 178.15 178.57 1f6k h PHE 63 N 1.03 0.85 0.05 1.37 0.04 -0.53 -0.78 116.94 118.97 1f6k h PHE 63 Ca 0.22 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.98 1f6k h PHE 63 Cb 0.32 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1f6k h PHE 63 CO 0.03 0.59 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.21 1f6k h ARG 64 N 0.86 -0.06 -0.34 1.51 2.43 -0.76 -2.13 114.38 115.88 1f6k h ARG 64 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1f6k h ARG 64 Cb -0.00 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1f6k h ARG 64 CO -0.04 0.06 0.22 0.82 -1.51 0.00 0.00 179.97 179.53 1f6k h ILE 65 N -0.18 1.10 -0.69 1.20 2.04 -1.03 -0.03 117.51 119.92 1f6k h ILE 65 Ca -0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1f6k h ILE 65 Cb 0.16 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1f6k h ILE 65 CO 0.01 0.09 0.34 0.00 0.00 0.00 0.00 178.15 178.59 1f6k h ALA 66 N 1.11 0.89 -0.19 1.87 0.00 -1.10 -0.71 119.26 121.13 1f6k h ALA 66 Ca 0.13 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1f6k h ALA 66 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1f6k h ALA 66 CO -0.03 0.44 -0.59 -0.22 0.00 0.00 0.00 179.25 178.86 1f6k h LYS 67 N 0.95 0.63 -0.35 0.00 1.63 -1.23 -0.52 116.57 117.68 1f6k h LYS 67 Ca 0.24 -0.42 -0.07 0.00 -0.85 0.00 0.00 60.65 59.55 1f6k h LYS 67 Cb 0.11 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1f6k h LYS 67 CO -0.03 1.03 -0.09 0.22 -3.45 0.00 0.00 179.45 177.13 1f6k h ASP 68 N 0.47 0.58 0.13 4.20 3.58 -0.75 0.83 116.42 125.46 1f6k h ASP 68 Ca -0.00 -0.15 -0.18 0.00 0.42 0.00 0.00 57.03 57.12 1f6k h ASP 68 Cb 1.16 -0.16 0.02 0.00 1.72 0.00 0.00 39.33 42.07 1f6k h ASP 68 CO 0.11 0.71 -0.80 -0.08 -2.88 0.00 0.00 179.24 176.31 1f6k h GLU 69 N 0.56 0.31 0.00 0.28 4.57 -1.05 -3.35 114.58 115.90 1f6k h GLU 69 Ca 0.10 -0.51 -0.13 0.00 -1.18 0.00 0.00 59.36 57.64 1f6k h GLU 69 Cb 0.49 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 1f6k h GLU 69 CO 0.03 1.23 -0.62 0.00 -1.18 0.00 0.00 179.01 178.47 1f6k h ALA 70 N 0.11 0.71 -0.57 2.92 0.00 -1.11 -3.48 119.26 117.83 1f6k h ALA 70 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1f6k h ALA 70 Cb 1.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1f6k h ALA 70 CO 0.15 0.78 0.00 1.63 0.00 0.00 0.00 179.25 181.81 1f6k n LYS 71 N -3.42 0.00 -0.16 0.00 5.02 0.28 -1.68 118.16 118.20 1f6k n LYS 71 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.36 1f6k n LYS 71 Cb 0.72 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.86 1f6k n LYS 71 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1f6k n ASP 72 N 5.86 2.75 0.07 4.39 5.68 -1.26 -4.71 116.55 129.33 1f6k n ASP 72 Ca 0.00 -2.57 -0.02 0.00 -0.50 0.00 0.00 54.79 51.71 1f6k n ASP 72 Cb 0.00 -0.31 0.25 0.00 -1.14 0.00 0.00 41.12 39.92 1f6k n ASP 72 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1f6k h GLN 73 N 0.85 0.31 -4.97 0.11 4.15 -1.72 -3.45 115.11 110.40 1f6k h GLN 73 Ca 0.00 -0.12 -0.42 0.00 0.77 0.00 0.00 58.65 58.88 1f6k h GLN 73 Cb 0.92 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.46 1f6k h GLN 73 CO 0.05 0.60 -0.58 0.96 -1.93 0.00 0.00 178.83 177.93 1f6k s ILE 74 N -4.36 0.62 0.45 2.39 -4.36 -1.26 -5.07 121.20 109.61 1f6k s ILE 74 Ca -0.05 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.13 1f6k s ILE 74 Cb 0.14 -2.60 -0.10 0.00 1.25 0.00 0.00 42.46 41.15 1f6k s ILE 74 CO 0.77 0.00 0.99 0.00 0.24 0.00 0.00 174.94 176.94 1f6k s ALA 75 N -3.56 2.97 -0.04 2.27 0.00 -0.76 -4.95 121.76 117.69 1f6k s ALA 75 Ca 0.35 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 1f6k s ALA 75 Cb 0.07 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1f6k s ALA 75 CO 0.15 -0.07 0.00 -0.51 0.00 0.00 0.00 175.76 175.33 1f6k s LEU 76 N -3.27 0.88 -0.08 0.00 1.43 -1.26 -1.53 118.68 114.85 1f6k s LEU 76 Ca 0.64 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1f6k s LEU 76 Cb -0.13 -0.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.77 1f6k s LEU 76 CO 0.17 -0.14 -0.14 -0.63 0.23 0.00 0.00 176.35 175.83 1f6k s ILE 77 N 1.43 3.02 -0.24 -0.59 1.01 -0.53 -1.10 121.20 124.21 1f6k s ILE 77 Ca -0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1f6k s ILE 77 Cb -0.13 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1f6k s ILE 77 CO -0.03 0.57 0.00 0.00 0.00 0.00 0.00 174.94 175.48 1f6k s ALA 78 N -0.36 2.94 -0.27 9.38 0.00 -0.59 -0.88 121.76 131.99 1f6k s ALA 78 Ca 0.04 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 1f6k s ALA 78 Cb -0.12 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 1f6k s ALA 78 CO 0.02 -0.49 0.78 -1.14 0.00 0.00 0.00 175.76 174.94 1f6k s GLN 79 N 1.52 4.10 0.00 0.00 -0.44 0.47 -0.78 119.66 124.53 1f6k s GLN 79 Ca 0.06 0.76 0.00 0.00 -2.50 0.00 0.00 55.36 53.68 1f6k s GLN 79 Cb -0.15 -3.67 0.00 0.00 -1.64 0.00 0.00 33.01 27.55 1f6k s GLN 79 CO -0.01 -0.55 0.72 1.33 0.50 0.00 0.00 175.29 177.28 1f6k n VAL 80 N 5.34 0.51 -2.01 1.34 0.24 -0.06 -4.59 118.33 119.10 1f6k n VAL 80 Ca 0.04 -0.67 -0.37 0.00 -2.04 0.00 0.00 64.34 61.30 1f6k n VAL 80 Cb 0.48 0.81 0.02 0.00 -1.47 0.00 0.00 33.84 33.68 1f6k n VAL 80 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1f6k s GLY 81 N -0.51 2.81 0.31 7.63 0.00 -1.25 -4.21 107.32 112.11 1f6k s GLY 81 Ca 0.00 1.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.63 1f6k s GLY 81 CO 0.00 1.57 0.76 -0.45 0.00 0.00 0.00 173.10 174.97 1f6k s SER 82 N -1.28 -0.15 0.34 1.64 0.15 -1.26 -4.72 113.70 108.42 1f6k s SER 82 Ca 0.71 -0.80 0.22 0.00 0.70 0.00 0.00 55.95 56.77 1f6k s SER 82 Cb -0.33 0.76 0.20 0.00 -1.71 0.00 0.00 66.02 64.94 1f6k s SER 82 CO 0.39 -1.46 1.41 0.58 1.20 0.00 0.00 173.24 175.36 1f6k h VAL 83 N 2.00 0.13 -3.47 4.45 2.07 -1.94 -3.41 116.25 116.08 1f6k h VAL 83 Ca -0.24 -1.19 -0.68 0.00 0.82 0.00 0.00 66.70 65.40 1f6k h VAL 83 Cb 1.25 1.93 -0.18 0.00 -1.52 0.00 0.00 31.29 32.77 1f6k h VAL 83 CO 0.30 0.07 -0.06 0.21 0.02 0.00 0.00 177.57 178.11 1f6k s ASN 84 N -6.01 6.23 0.36 0.57 3.84 -1.26 -4.93 114.94 113.75 1f6k s ASN 84 Ca 0.04 -0.67 0.07 0.00 0.21 0.00 0.00 52.86 52.51 1f6k s ASN 84 Cb 0.07 -2.26 0.67 0.00 -0.55 0.00 0.00 41.25 39.17 1f6k s ASN 84 CO 0.72 -0.71 1.88 0.25 -2.79 0.00 0.00 177.10 176.45 1f6k h LEU 85 N 9.37 0.37 -0.80 3.21 5.85 -2.00 -1.65 115.31 129.66 1f6k h LEU 85 Ca -0.26 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.32 1f6k h LEU 85 Cb 1.10 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1f6k h LEU 85 CO 0.87 0.49 0.21 0.11 -0.34 0.00 0.00 178.44 179.77 1f6k h LYS 86 N 0.37 1.10 -0.39 1.25 1.57 -1.97 -0.39 116.57 118.12 1f6k h LYS 86 Ca 0.08 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1f6k h LYS 86 Cb 0.37 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1f6k h LYS 86 CO 0.02 0.95 0.02 1.49 -0.57 0.00 0.00 179.45 181.36 1f6k h GLU 87 N 1.06 0.67 -0.96 3.15 4.81 -1.85 -1.39 114.58 120.06 1f6k h GLU 87 Ca 0.23 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1f6k h GLU 87 Cb 0.32 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 1f6k h GLU 87 CO -0.00 0.75 0.63 0.00 -0.73 0.00 0.00 179.01 179.66 1f6k h ALA 88 N 0.89 1.22 -0.47 2.92 0.00 -0.86 0.82 119.26 123.78 1f6k h ALA 88 Ca 0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1f6k h ALA 88 Cb 0.44 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1f6k h ALA 88 CO 0.02 0.60 -0.17 0.28 0.00 0.00 0.00 179.25 179.97 1f6k h VAL 89 N 1.29 1.27 -0.38 0.00 2.07 -0.93 0.53 116.25 120.10 1f6k h VAL 89 Ca 0.35 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1f6k h VAL 89 Cb -0.13 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1f6k h VAL 89 CO -0.08 0.45 0.24 -0.08 0.02 0.00 0.00 177.57 178.12 1f6k h GLU 90 N 0.79 0.52 -0.41 1.57 4.81 -0.63 0.21 114.58 121.44 1f6k h GLU 90 Ca 0.11 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1f6k h GLU 90 Cb 0.74 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1f6k h GLU 90 CO 0.06 0.38 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.42 1f6k h LEU 91 N 0.51 0.85 -0.67 1.64 3.38 -0.77 -2.05 115.31 118.20 1f6k h LEU 91 Ca 0.14 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1f6k h LEU 91 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1f6k h LEU 91 CO -0.03 1.05 0.06 1.23 0.09 0.00 0.00 178.44 180.84 1f6k h GLY 92 N 0.94 1.17 0.99 0.83 0.00 -0.53 0.78 103.07 107.25 1f6k h GLY 92 Ca 0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1f6k h GLY 92 CO 0.06 0.75 0.19 0.50 0.00 0.00 0.00 176.54 178.05 1f6k h LYS 93 N 1.01 0.84 -0.21 4.80 1.57 -0.76 -0.89 116.57 122.93 1f6k h LYS 93 Ca 0.19 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1f6k h LYS 93 Cb 0.49 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1f6k h LYS 93 CO 0.02 0.75 0.07 -0.92 -0.57 0.00 0.00 179.45 178.80 1f6k h TYR 94 N 0.75 0.33 -0.43 -1.35 3.20 -1.08 0.58 116.97 118.97 1f6k h TYR 94 Ca 0.18 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 1f6k h TYR 94 Cb 0.25 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1f6k h TYR 94 CO 0.01 0.40 0.06 0.00 -1.64 0.00 0.00 178.16 176.99 1f6k h ALA 95 N 0.90 1.30 -0.26 1.82 0.00 -0.78 -0.97 119.26 121.27 1f6k h ALA 95 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1f6k h ALA 95 Cb 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1f6k h ALA 95 CO -0.00 0.48 0.07 1.15 0.00 0.00 0.00 179.25 180.95 1f6k h THR 96 N 0.64 1.21 -0.65 0.00 2.02 -0.90 -2.02 112.91 113.20 1f6k h THR 96 Ca 0.14 -0.68 0.02 0.00 0.77 0.00 0.00 66.41 66.65 1f6k h THR 96 Cb 0.31 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 1f6k h THR 96 CO 0.00 0.22 0.43 -0.33 0.37 0.00 0.00 175.52 176.22 1f6k h GLU 97 N 0.25 0.83 0.00 6.66 5.08 -0.10 -1.59 114.58 125.71 1f6k h GLU 97 Ca 0.08 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1f6k h GLU 97 Cb 0.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1f6k h GLU 97 CO 0.00 0.55 0.00 -0.07 -1.00 0.00 0.00 179.01 178.49 1f6k h LEU 98 N 0.85 0.00 0.00 1.33 3.38 -0.98 -3.47 115.31 116.42 1f6k h LEU 98 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1f6k h LEU 98 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1f6k h LEU 98 CO -0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1f6k n GLY 99 N 0.31 1.09 3.62 0.83 0.00 -0.60 -5.04 105.19 105.41 1f6k n GLY 99 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1f6k n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1f6k n TYR 100 N -1.67 1.24 0.11 1.61 4.02 -0.79 -4.89 117.16 116.79 1f6k n TYR 100 Ca 0.00 0.53 -0.03 0.00 -0.01 0.00 0.00 57.90 58.39 1f6k n TYR 100 Cb 0.00 -2.23 0.08 0.00 -0.02 0.00 0.00 39.34 37.17 1f6k n TYR 100 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1f6k h ASP 101 N 1.43 0.00 -5.02 7.72 3.32 -1.46 -3.46 116.42 118.95 1f6k h ASP 101 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 1f6k h ASP 101 Cb 1.34 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.74 1f6k h ASP 101 CO 0.56 0.73 0.06 0.00 -1.72 0.00 0.00 179.24 178.87 1f6k s LEU 103 N -2.23 3.87 0.03 0.00 1.43 -0.49 -1.55 118.68 119.75 1f6k s LEU 103 Ca -0.03 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1f6k s LEU 103 Cb -0.00 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.57 1f6k s LEU 103 CO -0.05 -0.46 0.15 -0.55 0.23 0.00 0.00 176.35 175.68 1f6k s SER 104 N -4.16 0.06 -0.17 2.29 0.15 0.04 -1.21 113.70 110.70 1f6k s SER 104 Ca 0.45 -0.35 -0.09 0.00 0.70 0.00 0.00 55.95 56.66 1f6k s SER 104 Cb -0.09 0.24 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1f6k s SER 104 CO 0.30 -0.48 0.41 0.00 1.20 0.00 0.00 173.24 174.68 1f6k s ALA 105 N -2.16 -1.06 0.59 5.45 0.00 -0.88 -0.88 121.76 122.82 1f6k s ALA 105 Ca -0.08 1.55 -0.20 0.00 0.00 0.00 0.00 51.96 53.22 1f6k s ALA 105 Cb -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1f6k s ALA 105 CO -0.02 -0.27 1.30 0.54 0.00 0.00 0.00 175.76 177.32 1f6k s VAL 106 N 1.41 2.18 0.30 0.00 0.11 -1.26 -1.84 120.40 121.29 1f6k s VAL 106 Ca -0.10 0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.78 1f6k s VAL 106 Cb -0.08 -3.06 -0.12 0.00 -1.53 0.00 0.00 36.38 31.59 1f6k s VAL 106 CO -0.13 -0.01 1.57 0.35 -3.33 0.00 0.00 175.10 173.55 1f6k n THR 107 N -1.43 1.10 -1.62 5.04 -2.24 -1.14 -4.60 114.28 109.39 1f6k n THR 107 Ca 0.13 -0.28 -0.47 0.00 -2.27 0.00 0.00 64.05 61.16 1f6k n THR 107 Cb 0.47 -1.93 -0.04 0.00 -2.10 0.00 0.00 70.33 66.73 1f6k n THR 107 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1f6k n PRO 108 N 2.00 1.54 -1.58 -0.78 -0.04 -1.26 -4.96 135.00 129.92 1f6k n PRO 108 Ca 0.08 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.09 1f6k n PRO 108 Cb 0.37 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1f6k n PRO 108 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1f6k n PHE 109 N 1.83 0.00 0.00 0.54 -1.74 -1.26 -4.78 117.46 112.05 1f6k n PHE 109 Ca 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.03 1f6k n PHE 109 Cb 0.27 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.27 1f6k n PHE 109 CO 0.00 0.00 0.00 0.98 -0.56 0.00 0.00 176.76 177.18 1f6k n TYR 110 N 0.00 0.00 -1.53 2.97 9.36 -1.26 -4.82 117.16 121.88 1f6k n TYR 110 Ca 0.00 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 60.90 1f6k n TYR 110 Cb 0.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 1f6k n TYR 110 CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 1f6k s TYR 111 N 0.00 2.57 -1.18 2.98 2.02 -1.26 -4.95 117.35 117.52 1f6k s TYR 111 Ca 0.00 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 1f6k s TYR 111 Cb 0.00 -3.13 0.21 0.00 -0.40 0.00 0.00 41.96 38.63 1f6k s TYR 111 CO 0.00 -1.78 1.34 1.63 -1.57 0.00 0.00 175.55 175.17 1f6k n LYS 112 N -2.90 3.43 -2.15 -0.62 4.76 -1.26 -5.02 118.16 114.40 1f6k n LYS 112 Ca 0.10 -4.04 -0.39 0.00 -2.87 0.00 0.00 58.31 51.12 1f6k n LYS 112 Cb 0.52 -2.89 -0.01 0.00 -1.84 0.00 0.00 35.03 30.82 1f6k n LYS 112 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1f6k s PHE 113 N 0.67 2.88 0.74 2.13 0.08 -1.26 -5.02 117.98 118.19 1f6k s PHE 113 Ca 0.39 1.48 -0.11 0.00 0.12 0.00 0.00 56.93 58.81 1f6k s PHE 113 Cb -0.05 -3.54 0.04 0.00 -0.57 0.00 0.00 43.02 38.90 1f6k s PHE 113 CO -0.02 -1.78 1.08 -1.54 -0.10 0.00 0.00 175.22 172.86 1f6k s SER 114 N -0.99 5.01 0.15 1.36 1.04 -1.26 -4.86 113.70 114.15 1f6k s SER 114 Ca 0.59 1.34 -0.17 0.00 0.48 0.00 0.00 55.95 58.20 1f6k s SER 114 Cb -0.34 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.65 1f6k s SER 114 CO 0.43 -1.64 1.79 0.15 0.98 0.00 0.00 173.24 174.95 1f6k h PHE 115 N -0.86 0.40 -0.88 5.02 3.57 -1.99 -1.04 116.94 121.15 1f6k h PHE 115 Ca -0.46 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.18 1f6k h PHE 115 Cb 1.25 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 1f6k h PHE 115 CO 0.52 0.24 0.57 -1.35 -2.23 0.00 0.00 178.31 176.06 1f6k h PRO 116 N 0.44 0.72 -0.52 6.41 0.11 -1.99 -0.32 132.00 136.85 1f6k h PRO 116 Ca 0.14 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1f6k h PRO 116 Cb -0.01 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1f6k h PRO 116 CO -0.06 0.47 -0.13 0.93 -0.21 0.00 0.00 178.00 179.01 1f6k h GLU 117 N 0.74 1.00 -0.40 1.05 5.08 -1.71 -0.54 114.58 119.80 1f6k h GLU 117 Ca 0.43 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1f6k h GLU 117 Cb 0.62 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1f6k h GLU 117 CO -0.19 1.06 0.14 0.82 -1.00 0.00 0.00 179.01 179.84 1f6k h ILE 118 N 0.87 1.21 -0.67 3.13 2.04 0.05 -0.74 117.51 123.40 1f6k h ILE 118 Ca 0.13 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1f6k h ILE 118 Cb 0.70 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1f6k h ILE 118 CO 0.05 0.24 0.24 0.50 0.00 0.00 0.00 178.15 179.18 1f6k h LYS 119 N 0.50 1.01 -0.48 2.37 3.64 -1.06 -1.78 116.57 120.77 1f6k h LYS 119 Ca 0.13 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1f6k h LYS 119 Cb 0.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1f6k h LYS 119 CO -0.01 0.84 -0.03 1.25 -2.27 0.00 0.00 179.45 179.23 1f6k h HIS 120 N 0.98 0.89 -0.31 1.91 2.76 -0.79 -0.50 115.15 120.09 1f6k h HIS 120 Ca 0.22 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1f6k h HIS 120 Cb 0.23 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1f6k h HIS 120 CO 0.02 0.83 0.16 -0.92 -1.30 0.00 0.00 177.93 176.71 1f6k h TYR 121 N 0.76 0.44 -0.35 5.26 5.03 -0.60 -0.02 116.97 127.48 1f6k h TYR 121 Ca 0.14 -0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1f6k h TYR 121 Cb 0.50 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.63 1f6k h TYR 121 CO 0.03 0.38 0.05 1.88 -1.32 0.00 0.00 178.16 179.17 1f6k h TYR 122 N 0.37 0.62 -0.33 -3.82 0.05 -1.10 -2.07 116.97 110.69 1f6k h TYR 122 Ca 0.11 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 1f6k h TYR 122 Cb 0.10 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1f6k h TYR 122 CO -0.02 0.65 0.08 -0.44 -1.05 0.00 0.00 178.16 177.37 1f6k h ASP 123 N 0.41 0.43 -0.16 3.88 3.32 -0.91 -2.11 116.42 121.29 1f6k h ASP 123 Ca 0.11 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1f6k h ASP 123 Cb 0.37 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1f6k h ASP 123 CO 0.01 0.44 -0.26 0.74 -1.72 0.00 0.00 179.24 178.45 1f6k h THR 124 N 0.47 1.35 -0.74 0.35 2.02 -0.83 -0.43 112.91 115.11 1f6k h THR 124 Ca 0.11 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.80 1f6k h THR 124 Cb 0.19 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 1f6k h THR 124 CO -0.00 0.45 0.46 0.40 0.37 0.00 0.00 175.52 177.19 1f6k h ILE 125 N 0.09 1.20 -0.20 3.11 2.04 -1.14 -0.63 117.51 121.99 1f6k h ILE 125 Ca 0.01 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1f6k h ILE 125 Cb 0.84 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1f6k h ILE 125 CO 0.06 0.21 0.04 0.40 0.00 0.00 0.00 178.15 178.85 1f6k h ILE 126 N 1.00 1.22 -0.67 -0.67 2.04 -1.33 -2.63 117.51 116.48 1f6k h ILE 126 Ca 0.27 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1f6k h ILE 126 Cb -0.06 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1f6k h ILE 126 CO -0.05 0.22 0.21 0.00 0.00 0.00 0.00 178.15 178.53 1f6k h ALA 127 N 0.84 0.87 0.00 1.87 0.00 -0.72 0.20 119.26 122.32 1f6k h ALA 127 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1f6k h ALA 127 Cb 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1f6k h ALA 127 CO 0.00 0.54 0.00 0.93 0.00 0.00 0.00 179.25 180.72 1f6k h GLU 128 N 0.97 0.00 0.00 0.00 4.39 -1.13 -3.34 114.58 115.46 1f6k h GLU 128 Ca 0.22 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.76 1f6k h GLU 128 Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1f6k h GLU 128 CO -0.01 0.00 -1.57 0.25 -1.16 0.00 0.00 179.01 176.52 1f6k n THR 129 N -2.67 0.57 -0.92 1.13 -2.24 -0.99 -4.89 114.28 104.27 1f6k n THR 129 Ca 0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1f6k n THR 129 Cb 0.36 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1f6k n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1f6k n GLY 130 N 2.53 0.76 3.94 3.38 0.00 0.68 -4.97 105.19 111.51 1f6k n GLY 130 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1f6k n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6k s SER 131 N -2.53 6.35 0.80 1.61 0.01 -1.25 -5.06 113.70 113.64 1f6k s SER 131 Ca 0.00 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 1f6k s SER 131 Cb 0.00 -1.99 0.07 0.00 0.21 0.00 0.00 66.02 64.31 1f6k s SER 131 CO 0.00 -0.11 1.09 0.20 0.41 0.00 0.00 173.24 174.83 1f6k s ASN 132 N -3.52 4.41 -0.01 2.44 0.01 -1.26 -4.66 114.94 112.35 1f6k s ASN 132 Ca 0.38 1.48 0.03 0.00 -0.71 0.00 0.00 52.86 54.04 1f6k s ASN 132 Cb -0.10 -2.22 -0.00 0.00 0.41 0.00 0.00 41.25 39.33 1f6k s ASN 132 CO 0.31 -2.04 -0.09 -0.32 -1.51 0.00 0.00 177.10 173.45 1f6k s MET 133 N -5.05 0.73 -0.21 -0.60 -2.45 0.26 -1.39 119.30 110.59 1f6k s MET 133 Ca 0.61 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.71 1f6k s MET 133 Cb -0.16 -0.70 -0.01 0.00 1.25 0.00 0.00 34.83 35.21 1f6k s MET 133 CO 0.55 0.17 -0.04 0.42 1.05 0.00 0.00 175.02 177.17 1f6k s ILE 134 N -0.13 3.45 0.10 10.11 1.01 -0.35 -0.55 121.20 134.83 1f6k s ILE 134 Ca 0.02 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 59.89 1f6k s ILE 134 Cb -0.04 -2.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 1f6k s ILE 134 CO -0.00 0.43 1.37 -0.69 0.00 0.00 0.00 174.94 176.04 1f6k s VAL 135 N 1.35 3.45 -0.38 2.92 1.01 -0.28 -2.07 120.40 126.41 1f6k s VAL 135 Ca 0.04 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1f6k s VAL 135 Cb -0.14 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1f6k s VAL 135 CO -0.02 0.07 0.25 -0.47 0.00 0.00 0.00 175.10 174.93 1f6k s TYR 136 N 1.23 3.23 -0.26 5.22 5.04 -0.77 -0.32 117.35 130.72 1f6k s TYR 136 Ca 0.64 -0.63 -0.07 0.00 -2.44 0.00 0.00 57.07 54.57 1f6k s TYR 136 Cb -0.35 -2.50 -0.02 0.00 0.35 0.00 0.00 41.96 39.44 1f6k s TYR 136 CO 0.30 -0.55 0.08 0.45 -1.34 0.00 0.00 175.55 174.49 1f6k s SER 137 N 1.64 5.15 -0.43 4.32 0.15 -0.35 -2.90 113.70 121.29 1f6k s SER 137 Ca 0.04 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.45 1f6k s SER 137 Cb -0.19 -1.92 0.22 0.00 -1.71 0.00 0.00 66.02 62.42 1f6k s SER 137 CO 0.09 -0.07 0.59 0.00 1.20 0.00 0.00 173.24 175.04 1f6k n ILE 138 N 4.92 -0.58 -0.14 6.45 3.06 -1.26 -0.91 119.36 130.90 1f6k n ILE 138 Ca -0.16 -2.93 0.14 0.00 -2.50 0.00 0.00 62.75 57.30 1f6k n ILE 138 Cb 0.51 -0.75 0.50 0.00 0.54 0.00 0.00 39.64 40.44 1f6k n ILE 138 CO 0.00 0.00 0.00 -0.65 -2.50 0.00 0.00 176.55 173.40 1f6k h PRO 139 N 4.52 0.41 -0.27 9.51 0.11 -1.74 -0.81 132.00 143.72 1f6k h PRO 139 Ca 0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1f6k h PRO 139 Cb 0.95 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1f6k h PRO 139 CO 0.35 0.27 0.08 0.35 -0.21 0.00 0.00 178.00 178.84 1f6k h PHE 140 N 0.42 0.38 0.06 0.65 3.57 -1.91 0.21 116.94 120.31 1f6k h PHE 140 Ca 0.34 -0.01 -0.38 0.00 3.53 0.00 0.00 57.97 61.45 1f6k h PHE 140 Cb 0.75 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1f6k h PHE 140 CO -0.00 0.33 -2.23 1.28 -2.23 0.00 0.00 178.31 175.45 1f6k n LEU 141 N -4.40 2.70 0.11 0.59 4.77 -0.71 -4.62 117.00 115.43 1f6k n LEU 141 Ca 0.01 0.04 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 1f6k n LEU 141 Cb 0.15 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.13 1f6k n LEU 141 CO 0.36 0.88 -0.36 0.71 -1.33 0.00 0.00 177.39 177.65 1f6k h THR 142 N 0.03 1.13 0.00 -5.08 1.35 -1.10 -3.48 112.91 105.76 1f6k h THR 142 Ca -0.50 -2.65 0.00 0.00 -0.55 0.00 0.00 66.41 62.71 1f6k h THR 142 Cb 1.98 2.89 0.00 0.00 -1.73 0.00 0.00 68.15 71.29 1f6k h THR 142 CO 0.00 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 1f6k n GLY 143 N 1.76 0.70 3.55 5.82 0.00 0.72 -4.72 105.19 113.02 1f6k n GLY 143 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1f6k n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6k s VAL 144 N -2.22 4.92 -0.34 1.61 1.01 -1.26 -5.06 120.40 119.06 1f6k s VAL 144 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1f6k s VAL 144 Cb 0.00 -3.32 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1f6k s VAL 144 CO 0.00 0.30 0.06 0.20 0.00 0.00 0.00 175.10 175.66 1f6k s ASN 145 N 1.57 4.68 0.21 3.32 0.01 -1.26 -4.25 114.94 119.21 1f6k s ASN 145 Ca 0.07 -2.12 -0.19 0.00 -0.71 0.00 0.00 52.86 49.91 1f6k s ASN 145 Cb -0.15 -1.54 -0.08 0.00 0.41 0.00 0.00 41.25 39.89 1f6k s ASN 145 CO 0.07 -0.38 0.70 -0.04 -1.51 0.00 0.00 177.10 175.94 1f6k s MET 146 N 0.96 4.23 0.48 -0.60 -1.94 -1.26 -5.08 119.30 116.08 1f6k s MET 146 Ca 0.11 0.83 0.03 0.00 -1.71 0.00 0.00 55.69 54.95 1f6k s MET 146 Cb -0.19 -2.91 0.09 0.00 2.01 0.00 0.00 34.83 33.83 1f6k s MET 146 CO -0.10 0.42 0.66 0.41 -0.01 0.00 0.00 175.02 176.39 1f6k n GLY 147 N 0.79 1.25 0.29 -0.03 0.00 -1.26 -4.93 105.19 101.29 1f6k n GLY 147 Ca -0.03 -2.09 -0.05 0.00 0.00 0.00 0.00 46.02 43.84 1f6k n GLY 147 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1f6k h ILE 148 N -0.27 1.20 -0.73 -0.61 1.08 -1.98 -1.95 117.51 114.25 1f6k h ILE 148 Ca -0.22 -0.45 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 1f6k h ILE 148 Cb 0.89 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1f6k h ILE 148 CO 0.27 0.21 0.29 -0.08 -0.69 0.00 0.00 178.15 178.14 1f6k h GLU 149 N 0.97 1.10 -0.53 2.37 4.22 -1.99 -2.04 114.58 118.69 1f6k h GLU 149 Ca 0.26 -0.20 -0.05 0.00 0.08 0.00 0.00 59.36 59.44 1f6k h GLU 149 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1f6k h GLU 149 CO -0.05 0.91 0.13 1.96 -2.18 0.00 0.00 179.01 179.78 1f6k h GLN 150 N 1.06 0.85 -0.71 1.92 4.20 -1.90 -1.93 115.11 118.60 1f6k h GLN 150 Ca 0.24 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1f6k h GLN 150 Cb 0.22 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1f6k h GLN 150 CO -0.02 0.81 0.44 0.74 -0.67 0.00 0.00 178.83 180.13 1f6k h PHE 151 N 0.74 0.91 -0.58 2.96 0.04 -1.13 -1.23 116.94 118.65 1f6k h PHE 151 Ca 0.17 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.02 1f6k h PHE 151 Cb 0.34 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 1f6k h PHE 151 CO 0.02 0.59 0.25 0.78 -0.60 0.00 0.00 178.31 179.36 1f6k h GLY 152 N 0.98 0.81 1.03 -1.45 0.00 -0.79 0.38 103.07 104.04 1f6k h GLY 152 Ca 0.26 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1f6k h GLY 152 CO -0.05 0.05 0.08 0.83 0.00 0.00 0.00 176.54 177.44 1f6k h GLU 153 N 0.47 0.97 -0.76 4.80 4.39 -0.57 -2.71 114.58 121.17 1f6k h GLU 153 Ca 0.28 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1f6k h GLU 153 Cb 0.27 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1f6k h GLU 153 CO -0.24 0.93 0.32 -0.07 -1.16 0.00 0.00 179.01 178.79 1f6k h LEU 154 N 0.87 1.04 0.00 1.33 3.38 -0.66 -2.70 115.31 118.57 1f6k h LEU 154 Ca 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f6k h LEU 154 Cb 0.44 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1f6k h LEU 154 CO 0.01 0.92 0.00 -1.22 0.09 0.00 0.00 178.44 178.25 1f6k n TYR 155 N -4.33 0.00 0.25 1.13 4.01 0.07 -2.11 117.16 116.18 1f6k n TYR 155 Ca 0.07 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.92 1f6k n TYR 155 Cb 0.17 -0.16 0.65 0.00 -0.31 0.00 0.00 39.34 39.69 1f6k n TYR 155 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1f6k h LYS 156 N 0.00 0.00 -6.12 -0.72 1.57 -1.18 -3.37 116.57 106.75 1f6k h LYS 156 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1f6k h LYS 156 Cb 0.09 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 1f6k h LYS 156 CO 0.00 0.16 0.65 1.21 -0.57 0.00 0.00 179.45 180.90 1f6k s ASN 157 N -6.22 6.74 0.49 0.86 3.84 -0.90 -4.93 114.94 114.83 1f6k s ASN 157 Ca -0.02 0.71 0.33 0.00 0.21 0.00 0.00 52.86 54.09 1f6k s ASN 157 Cb 0.13 -2.48 1.61 0.00 -0.55 0.00 0.00 41.25 39.96 1f6k s ASN 157 CO 0.60 -0.85 2.00 1.55 -2.79 0.00 0.00 177.10 177.61 1f6k h PRO 158 N 8.36 0.00 -0.00 0.43 0.13 -1.88 -1.84 132.00 137.19 1f6k h PRO 158 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1f6k h PRO 158 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1f6k h PRO 158 CO 0.99 0.00 -0.07 1.63 -0.23 0.00 0.00 178.00 180.32 1f6k n LYS 159 N -2.75 0.90 -2.98 0.86 5.02 -1.26 -4.61 118.16 113.34 1f6k n LYS 159 Ca -0.01 -0.30 -0.43 0.00 -2.02 0.00 0.00 58.31 55.56 1f6k n LYS 159 Cb 0.16 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1f6k n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1f6k s VAL 160 N -2.30 4.70 -0.18 -0.18 1.01 -0.69 -0.58 120.40 122.17 1f6k s VAL 160 Ca 0.34 0.54 0.18 0.00 0.00 0.00 0.00 61.98 63.04 1f6k s VAL 160 Cb 0.21 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 1f6k s VAL 160 CO 0.43 -0.61 1.07 -0.07 0.00 0.00 0.00 175.10 175.92 1f6k h LEU 161 N 9.95 0.00 0.00 3.92 3.38 -1.08 -3.47 115.31 128.02 1f6k h LEU 161 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1f6k h LEU 161 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1f6k h LEU 161 CO 0.93 0.37 0.00 0.61 0.09 0.00 0.00 178.44 180.44 1f6k n GLY 162 N 1.28 -0.52 2.95 0.83 0.00 -1.26 -1.61 105.19 106.87 1f6k n GLY 162 Ca -0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 1f6k n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f6k s VAL 163 N -3.22 0.02 -0.54 1.61 0.11 -0.64 -1.13 120.40 116.61 1f6k s VAL 163 Ca 0.00 -0.14 -0.22 0.00 -2.93 0.00 0.00 61.98 58.69 1f6k s VAL 163 Cb 0.00 -0.13 0.05 0.00 -1.53 0.00 0.00 36.38 34.77 1f6k s VAL 163 CO 0.00 -0.08 0.84 -0.75 -3.33 0.00 0.00 175.10 171.78 1f6k s LYS 164 N -0.21 3.25 -0.98 1.54 2.20 0.56 -1.42 119.74 124.67 1f6k s LYS 164 Ca -0.03 -0.51 -0.17 0.00 -0.36 0.00 0.00 55.97 54.90 1f6k s LYS 164 Cb -0.02 -4.08 0.15 0.00 -1.51 0.00 0.00 37.83 32.37 1f6k s LYS 164 CO 0.00 -1.42 1.17 0.12 -0.36 0.00 0.00 175.35 174.85 1f6k s PHE 165 N 3.52 3.25 -1.17 4.03 5.36 0.24 -1.21 117.98 132.01 1f6k s PHE 165 Ca 0.25 -1.59 -0.06 0.00 -0.96 0.00 0.00 56.93 54.57 1f6k s PHE 165 Cb -0.15 -4.25 0.24 0.00 -0.34 0.00 0.00 43.02 38.52 1f6k s PHE 165 CO 0.16 -1.43 1.73 2.41 -1.46 0.00 0.00 175.22 176.63 1f6k n THR 166 N 5.19 5.07 -3.59 0.12 -1.04 -0.08 -0.95 114.28 119.00 1f6k n THR 166 Ca 0.26 -5.27 -0.11 0.00 -2.04 0.00 0.00 64.05 56.89 1f6k n THR 166 Cb 0.48 -2.12 -0.03 0.00 -1.82 0.00 0.00 70.33 66.83 1f6k n THR 166 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6k s ALA 167 N -1.71 -1.21 -1.10 2.41 0.00 -1.26 -4.13 121.76 114.76 1f6k s ALA 167 Ca 0.37 0.11 0.12 0.00 0.00 0.00 0.00 51.96 52.55 1f6k s ALA 167 Cb 0.09 0.82 0.33 0.00 0.00 0.00 0.00 23.12 24.36 1f6k s ALA 167 CO 0.03 -0.75 1.26 0.41 0.00 0.00 0.00 175.76 176.71 1f6k n GLY 168 N -0.33 2.53 3.55 0.00 0.00 -1.26 -4.71 105.19 104.97 1f6k n GLY 168 Ca -0.14 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1f6k n GLY 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f6k s ASP 169 N -1.00 6.16 0.00 1.61 -1.08 -1.26 -4.85 116.67 116.25 1f6k s ASP 169 Ca 0.26 -0.65 0.29 0.00 -0.52 0.00 0.00 52.55 51.93 1f6k s ASP 169 Cb 0.14 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.28 1f6k s ASP 169 CO 0.18 -1.81 1.89 0.49 0.52 0.00 0.00 175.17 176.43 1f6k n PHE 170 N 9.58 0.00 -0.03 -5.34 3.72 -1.26 -1.91 117.46 122.22 1f6k n PHE 170 Ca 0.12 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.37 1f6k n PHE 170 Cb 0.50 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1f6k n PHE 170 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1f6k h TYR 171 N 0.24 0.33 -0.73 1.38 3.20 -1.99 -2.18 116.97 117.22 1f6k h TYR 171 Ca 0.00 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 1f6k h TYR 171 Cb 0.38 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1f6k h TYR 171 CO 0.00 0.92 0.29 1.25 -1.64 0.00 0.00 178.16 178.98 1f6k h LEU 172 N -0.36 1.00 -0.33 2.82 5.85 -1.95 -0.35 115.31 121.99 1f6k h LEU 172 Ca -0.03 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1f6k h LEU 172 Cb 0.98 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1f6k h LEU 172 CO 0.06 0.89 0.19 0.25 -0.34 0.00 0.00 178.44 179.49 1f6k h LEU 173 N 1.06 0.31 -0.70 2.25 5.85 -1.42 -0.78 115.31 121.87 1f6k h LEU 173 Ca 0.24 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1f6k h LEU 173 Cb 0.21 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1f6k h LEU 173 CO -0.02 0.23 0.28 -0.08 -0.34 0.00 0.00 178.44 178.51 1f6k h GLU 174 N 0.39 1.05 -0.45 1.25 4.22 -0.78 -2.82 114.58 117.44 1f6k h GLU 174 Ca 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 1f6k h GLU 174 Cb 0.01 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1f6k h GLU 174 CO -0.06 0.87 0.17 0.00 -2.18 0.00 0.00 179.01 177.80 1f6k h ARG 175 N 1.01 0.65 -0.33 1.92 2.47 -0.24 -1.41 114.38 118.44 1f6k h ARG 175 Ca 0.24 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 1f6k h ARG 175 Cb 0.21 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 1f6k h ARG 175 CO -0.02 0.55 0.14 -0.07 0.56 0.00 0.00 179.97 181.13 1f6k h LEU 176 N 0.65 0.45 -0.99 3.04 3.38 -0.98 -0.69 115.31 120.16 1f6k h LEU 176 Ca 0.16 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1f6k h LEU 176 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1f6k h LEU 176 CO -0.01 0.48 -0.45 0.50 0.09 0.00 0.00 178.44 179.05 1f6k h LYS 177 N 0.39 0.12 0.26 1.13 1.63 -1.24 -0.59 116.57 118.27 1f6k h LYS 177 Ca 0.11 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 1f6k h LYS 177 Cb 0.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 1f6k h LYS 177 CO -0.01 0.55 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.19 1f6k h LYS 178 N 0.10 -0.33 -0.27 1.90 1.63 -1.15 -3.14 116.57 115.31 1f6k h LYS 178 Ca 0.01 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.73 1f6k h LYS 178 Cb 0.83 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 1f6k h LYS 178 CO 0.06 0.00 -0.22 0.00 -3.45 0.00 0.00 179.45 175.85 1f6k h ALA 179 N -0.13 0.39 -2.53 5.00 0.00 -1.06 -3.38 119.26 117.55 1f6k h ALA 179 Ca -0.04 -0.36 -0.60 0.00 0.00 0.00 0.00 54.91 53.91 1f6k h ALA 179 Cb 0.49 -0.09 -0.41 0.00 0.00 0.00 0.00 17.79 17.78 1f6k h ALA 179 CO 0.06 0.34 -0.70 0.66 0.00 0.00 0.00 179.25 179.61 1f6k n TYR 180 N -4.36 2.42 0.26 0.00 4.01 -0.23 -4.95 117.16 114.31 1f6k n TYR 180 Ca -0.04 -4.04 0.12 0.00 -0.16 0.00 0.00 57.90 53.79 1f6k n TYR 180 Cb 0.42 -0.45 0.68 0.00 -0.31 0.00 0.00 39.34 39.68 1f6k n TYR 180 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1f6k h PRO 181 N 4.79 0.00 -0.01 -0.72 0.13 -1.73 -2.13 132.00 132.33 1f6k h PRO 181 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1f6k h PRO 181 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1f6k h PRO 181 CO 0.69 0.14 -0.25 0.09 -0.23 0.00 0.00 178.00 178.44 1f6k n ASN 182 N -3.61 0.92 -4.87 1.44 3.02 -1.26 -4.88 115.26 106.02 1f6k n ASN 182 Ca -0.02 -0.81 -0.33 0.00 -0.03 0.00 0.00 54.58 53.39 1f6k n ASN 182 Cb 0.27 0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 1f6k n ASN 182 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1f6k s HIS 183 N -2.53 3.52 0.34 3.10 3.76 -0.80 -5.05 115.29 117.63 1f6k s HIS 183 Ca 0.24 0.79 -0.12 0.00 -0.15 0.00 0.00 55.06 55.81 1f6k s HIS 183 Cb 0.19 -2.17 -0.08 0.00 1.11 0.00 0.00 32.58 31.63 1f6k s HIS 183 CO 0.52 0.43 0.72 -0.51 -0.85 0.00 0.00 174.74 175.05 1f6k s LEU 184 N -2.31 4.00 -0.04 0.89 1.43 -0.63 -4.97 118.68 117.04 1f6k s LEU 184 Ca 0.39 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1f6k s LEU 184 Cb -0.13 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.12 1f6k s LEU 184 CO 0.20 -0.26 -0.05 -0.63 0.23 0.00 0.00 176.35 175.85 1f6k s ILE 185 N -2.10 0.53 -0.17 -0.59 1.01 -1.26 -1.62 121.20 117.01 1f6k s ILE 185 Ca 0.52 -0.13 -0.02 0.00 0.00 0.00 0.00 60.65 61.02 1f6k s ILE 185 Cb -0.10 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 1f6k s ILE 185 CO 0.23 0.22 -0.07 0.26 0.00 0.00 0.00 174.94 175.57 1f6k s TRP 186 N 0.86 2.92 0.39 3.97 0.51 -0.51 -0.81 118.94 126.28 1f6k s TRP 186 Ca -0.12 -0.63 -0.25 0.00 -2.12 0.00 0.00 56.10 52.98 1f6k s TRP 186 Cb -0.14 -1.96 -0.09 0.00 -0.81 0.00 0.00 33.47 30.47 1f6k s TRP 186 CO 0.00 -0.26 1.16 0.00 -0.51 0.00 0.00 176.95 177.34 1f6k s ALA 187 N 0.71 3.17 -0.38 0.98 0.00 0.08 -0.59 121.76 125.73 1f6k s ALA 187 Ca -0.04 0.95 0.09 0.00 0.00 0.00 0.00 51.96 52.96 1f6k s ALA 187 Cb -0.15 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1f6k s ALA 187 CO 0.02 -0.48 0.36 0.41 0.00 0.00 0.00 175.76 176.06 1f6k n GLY 188 N 0.64 0.14 3.30 0.00 0.00 -0.13 -0.78 105.19 108.36 1f6k n GLY 188 Ca 0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1f6k n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f6k s PHE 189 N -1.88 3.32 0.43 1.61 0.08 -1.26 -4.84 117.98 115.44 1f6k s PHE 189 Ca 0.03 -1.38 0.10 0.00 0.12 0.00 0.00 56.93 55.79 1f6k s PHE 189 Cb 0.06 -3.01 0.93 0.00 -0.57 0.00 0.00 43.02 40.44 1f6k s PHE 189 CO 0.36 -0.83 2.04 -0.44 -0.10 0.00 0.00 175.22 176.24 1f6k h ASP 190 N 8.49 0.29 0.63 1.36 5.19 -1.90 -1.21 116.42 129.26 1f6k h ASP 190 Ca -0.24 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1f6k h ASP 190 Cb 1.09 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1f6k h ASP 190 CO 0.79 0.27 0.00 -1.84 -3.12 0.00 0.00 179.24 175.34 1f6k n GLU 191 N -4.43 0.15 -0.60 3.56 0.00 -1.26 -2.65 120.64 115.41 1f6k n GLU 191 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 57.16 57.32 1f6k n GLU 191 Cb 0.13 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.27 1f6k n GLU 191 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1f6k n MET 192 N -1.41 1.51 -0.18 3.44 2.81 -0.47 -4.84 117.12 117.99 1f6k n MET 192 Ca 0.08 -3.21 -0.07 0.00 -1.81 0.00 0.00 57.70 52.68 1f6k n MET 192 Cb 0.23 -1.55 0.02 0.00 -0.71 0.00 0.00 33.22 31.21 1f6k n MET 192 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1f6k h MET 193 N 0.93 0.72 0.46 0.03 4.05 -1.43 -2.42 114.93 117.28 1f6k h MET 193 Ca -0.01 -0.09 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1f6k h MET 193 Cb 1.03 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.69 1f6k h MET 193 CO 0.00 0.57 -0.26 1.25 0.23 0.00 0.00 176.91 178.70 1f6k h LEU 194 N 0.69 -0.65 -1.49 3.39 6.46 -1.88 0.18 115.31 122.02 1f6k h LEU 194 Ca 0.18 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 1f6k h LEU 194 Cb 0.05 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 1f6k h LEU 194 CO -0.03 -0.43 0.13 1.55 -0.62 0.00 0.00 178.44 179.05 1f6k h PRO 195 N -0.68 0.48 -0.37 5.25 0.13 -1.95 0.04 132.00 134.89 1f6k h PRO 195 Ca -0.06 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 1f6k h PRO 195 Cb 0.55 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1f6k h PRO 195 CO 0.07 0.40 -0.26 0.00 -0.23 0.00 0.00 178.00 177.97 1f6k h ALA 196 N 1.67 0.83 -0.01 -0.56 0.00 -1.07 -2.45 119.26 117.68 1f6k h ALA 196 Ca 0.12 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1f6k h ALA 196 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1f6k h ALA 196 CO -0.01 0.64 -0.37 0.00 0.00 0.00 0.00 179.25 179.51 1f6k h ALA 197 N 1.03 1.37 0.00 0.00 0.00 -0.12 -1.97 119.26 119.58 1f6k h ALA 197 Ca 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1f6k h ALA 197 Cb 0.79 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1f6k h ALA 197 CO 0.06 0.47 -0.16 0.66 0.00 0.00 0.00 179.25 180.29 1f6k h SER 198 N 0.02 0.00 -0.41 0.00 4.64 -0.53 -1.80 113.55 115.47 1f6k h SER 198 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1f6k h SER 198 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1f6k h SER 198 CO 0.05 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.35 1f6k n LEU 199 N -4.11 2.30 0.00 5.97 4.77 -0.75 -4.95 117.00 120.23 1f6k n LEU 199 Ca -0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1f6k n LEU 199 Cb 0.23 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1f6k n LEU 199 CO 0.34 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1f6k n GLY 200 N 1.20 0.67 3.73 -0.72 0.00 -0.68 -4.94 105.19 104.46 1f6k n GLY 200 Ca 0.15 -0.74 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 1f6k n GLY 200 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f6k s VAL 201 N -2.00 2.33 -0.96 1.61 -7.23 -1.14 -4.91 120.40 108.09 1f6k s VAL 201 Ca 0.00 0.18 0.26 0.00 -1.81 0.00 0.00 61.98 60.61 1f6k s VAL 201 Cb 0.00 -2.87 0.07 0.00 0.56 0.00 0.00 36.38 34.14 1f6k s VAL 201 CO 0.00 -0.07 1.53 0.47 -0.31 0.00 0.00 175.10 176.72 1f6k n ASP 202 N -2.33 0.41 0.00 4.85 8.00 0.01 -4.89 116.55 122.59 1f6k n ASP 202 Ca 0.14 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1f6k n ASP 202 Cb 0.50 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1f6k n ASP 202 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f6k n GLY 203 N 1.48 -1.24 3.22 0.44 0.00 -1.18 -1.56 105.19 106.35 1f6k n GLY 203 Ca 0.06 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1f6k n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6k s ALA 204 N -1.00 -0.81 -0.20 4.61 0.00 0.04 -0.74 121.76 123.67 1f6k s ALA 204 Ca 0.00 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1f6k s ALA 204 Cb 0.00 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1f6k s ALA 204 CO 0.00 -0.18 -0.12 0.42 0.00 0.00 0.00 175.76 175.88 1f6k s ILE 205 N -0.19 1.77 -0.00 0.00 1.01 0.04 -0.73 121.20 123.09 1f6k s ILE 205 Ca -0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1f6k s ILE 205 Cb -0.03 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.66 1f6k s ILE 205 CO 0.01 0.22 0.18 -0.83 0.00 0.00 0.00 174.94 174.53 1f6k s GLY 206 N 1.35 -0.01 0.22 6.18 0.00 -0.56 -4.37 107.32 110.14 1f6k s GLY 206 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1f6k s GLY 206 CO -0.09 -0.15 1.53 1.48 0.00 0.00 0.00 173.10 175.87 1f6k h SER 207 N 4.23 0.26 0.86 1.64 4.64 -1.89 -0.65 113.55 122.63 1f6k h SER 207 Ca -0.30 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1f6k h SER 207 Cb 1.19 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1f6k h SER 207 CO 0.40 0.84 0.00 0.35 -0.87 0.00 0.00 176.83 177.55 1f6k n THR 208 N -3.83 0.26 0.49 2.95 -2.24 -1.26 -2.75 114.28 107.90 1f6k n THR 208 Ca -0.03 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1f6k n THR 208 Cb 0.65 -0.63 0.45 0.00 -2.10 0.00 0.00 70.33 68.70 1f6k n THR 208 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1f6k n PHE 209 N -1.50 0.65 0.29 4.78 3.72 -1.21 -0.52 117.46 123.68 1f6k n PHE 209 Ca 0.06 0.24 0.14 0.00 -0.05 0.00 0.00 57.45 57.84 1f6k n PHE 209 Cb 0.29 -0.89 0.85 0.00 -0.94 0.00 0.00 39.48 38.80 1f6k n PHE 209 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 1f6k h ASN 210 N 0.00 0.00 0.00 4.37 2.35 -1.72 -2.85 115.58 117.73 1f6k h ASN 210 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f6k h ASN 210 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1f6k h ASN 210 CO 0.00 0.02 -0.75 1.33 -1.65 0.00 0.00 177.43 176.38 1f6k n VAL 211 N -3.92 0.00 -1.36 2.81 0.24 -0.74 -4.79 118.33 110.57 1f6k n VAL 211 Ca -0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.28 1f6k n VAL 211 Cb 0.11 -0.09 0.21 0.00 -1.47 0.00 0.00 33.84 32.59 1f6k n VAL 211 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1f6k n ASN 212 N -1.33 2.57 0.28 -1.34 5.15 0.33 -4.79 115.26 116.12 1f6k n ASN 212 Ca 0.00 -3.60 0.14 0.00 -0.60 0.00 0.00 54.58 50.52 1f6k n ASN 212 Cb 0.16 -0.58 0.82 0.00 -0.53 0.00 0.00 39.78 39.64 1f6k n ASN 212 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1f6k h GLY 213 N 1.03 0.00 0.58 8.20 0.00 -1.70 -1.06 103.07 110.12 1f6k h GLY 213 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1f6k h GLY 213 CO 0.26 0.00 -0.06 -2.08 0.00 0.00 0.00 176.54 174.66 1f6k h VAL 214 N 0.00 1.04 -0.71 4.60 2.07 -1.87 -2.04 116.25 119.34 1f6k h VAL 214 Ca -0.00 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 1f6k h VAL 214 Cb 0.17 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1f6k h VAL 214 CO 0.01 0.20 0.24 0.03 0.02 0.00 0.00 177.57 178.07 1f6k h ARG 215 N -0.60 1.08 -0.77 1.57 3.08 -1.88 -2.33 114.38 114.53 1f6k h ARG 215 Ca -0.02 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1f6k h ARG 215 Cb 0.46 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1f6k h ARG 215 CO 0.03 0.90 0.51 0.00 -1.07 0.00 0.00 179.97 180.34 1f6k h ALA 216 N 1.22 0.97 -0.55 0.04 0.00 -1.17 -0.51 119.26 119.27 1f6k h ALA 216 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1f6k h ALA 216 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1f6k h ALA 216 CO -0.01 0.38 0.19 -0.09 0.00 0.00 0.00 179.25 179.72 1f6k h ARG 217 N 1.03 0.83 -0.31 0.00 2.43 -1.08 -2.40 114.38 114.89 1f6k h ARG 217 Ca 0.28 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1f6k h ARG 217 Cb -0.11 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.28 1f6k h ARG 217 CO -0.06 0.74 0.12 1.96 -1.51 0.00 0.00 179.97 181.22 1f6k h GLN 218 N 0.75 0.25 -0.29 0.20 4.20 -0.87 0.18 115.11 119.53 1f6k h GLN 218 Ca 0.18 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1f6k h GLN 218 Cb 0.24 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1f6k h GLN 218 CO -0.01 0.16 0.14 0.82 -0.67 0.00 0.00 178.83 179.27 1f6k h ILE 219 N 0.26 0.98 0.21 2.54 2.04 -0.90 0.12 117.51 122.75 1f6k h ILE 219 Ca 0.14 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1f6k h ILE 219 Cb 0.10 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1f6k h ILE 219 CO -0.13 0.05 -0.13 0.15 0.00 0.00 0.00 178.15 178.09 1f6k h PHE 220 N 0.30 -0.34 -0.38 1.37 3.57 -1.21 -0.70 116.94 119.54 1f6k h PHE 220 Ca 0.12 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 1f6k h PHE 220 Cb 0.05 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1f6k h PHE 220 CO -0.10 -0.21 -0.35 0.93 -2.23 0.00 0.00 178.31 176.35 1f6k h GLU 221 N -0.33 0.89 -0.58 1.11 5.08 -0.82 -2.21 114.58 117.72 1f6k h GLU 221 Ca -0.02 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1f6k h GLU 221 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1f6k h GLU 221 CO 0.01 1.10 0.06 -0.07 -1.00 0.00 0.00 179.01 179.11 1f6k h LEU 222 N 0.74 0.95 -0.64 1.33 3.38 -0.69 -2.08 115.31 118.30 1f6k h LEU 222 Ca 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1f6k h LEU 222 Cb 0.93 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1f6k h LEU 222 CO 0.09 0.99 0.24 0.74 0.09 0.00 0.00 178.44 180.58 1f6k h THR 223 N 0.87 1.24 0.00 0.22 2.02 -1.03 -0.10 112.91 116.14 1f6k h THR 223 Ca 0.17 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 1f6k h THR 223 Cb 0.46 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1f6k h THR 223 CO 0.02 0.30 -0.09 0.11 0.37 0.00 0.00 175.52 176.23 1f6k h LYS 224 N 0.90 0.00 -0.00 6.66 1.57 -1.16 -0.58 116.57 123.96 1f6k h LYS 224 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1f6k h LYS 224 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1f6k h LYS 224 CO -0.01 0.09 -0.07 0.00 -0.57 0.00 0.00 179.45 178.89 1f6k n ALA 225 N -2.44 2.70 -1.01 3.86 0.00 -0.80 -4.91 120.51 117.91 1f6k n ALA 225 Ca -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.15 1f6k n ALA 225 Cb 0.17 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 1f6k n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f6k n GLY 226 N 1.22 0.46 3.06 0.00 0.00 -0.22 -4.95 105.19 104.76 1f6k n GLY 226 Ca 0.17 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1f6k n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6k n LYS 227 N -2.91 3.53 -0.15 1.61 5.02 -0.11 -4.81 118.16 120.34 1f6k n LYS 227 Ca -0.00 -3.62 -0.10 0.00 -2.02 0.00 0.00 58.31 52.57 1f6k n LYS 227 Cb 0.02 -2.97 -0.01 0.00 -0.02 0.00 0.00 35.03 32.05 1f6k n LYS 227 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1f6k h LEU 228 N 8.53 0.73 -0.59 -0.35 3.38 -1.90 -1.07 115.31 124.04 1f6k h LEU 228 Ca 0.37 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1f6k h LEU 228 Cb 0.71 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1f6k h LEU 228 CO 1.51 0.83 0.34 0.50 0.09 0.00 0.00 178.44 181.71 1f6k h LYS 229 N 0.60 0.82 -0.34 1.13 3.64 -1.98 0.25 116.57 120.69 1f6k h LYS 229 Ca 0.13 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1f6k h LYS 229 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1f6k h LYS 229 CO 0.02 0.60 -0.03 0.93 -2.27 0.00 0.00 179.45 178.70 1f6k h GLU 230 N 0.80 0.61 -0.67 1.90 5.08 -1.94 -2.20 114.58 118.17 1f6k h GLU 230 Ca 0.21 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1f6k h GLU 230 Cb 0.01 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1f6k h GLU 230 CO -0.04 0.76 0.41 0.00 -1.00 0.00 0.00 179.01 179.14 1f6k h ALA 231 N 0.84 0.85 -0.27 3.43 0.00 -0.98 -2.72 119.26 120.40 1f6k h ALA 231 Ca 0.09 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1f6k h ALA 231 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1f6k h ALA 231 CO 0.02 0.32 -0.09 1.25 0.00 0.00 0.00 179.25 180.76 1f6k h LEU 232 N 0.90 0.41 -0.44 0.00 5.85 -0.35 0.92 115.31 122.60 1f6k h LEU 232 Ca 0.24 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1f6k h LEU 232 Cb -0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1f6k h LEU 232 CO -0.05 0.54 0.22 -0.08 -0.34 0.00 0.00 178.44 178.74 1f6k h GLU 233 N 0.41 0.63 -0.05 1.25 4.57 -1.14 0.21 114.58 120.46 1f6k h GLU 233 Ca 0.08 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1f6k h GLU 233 Cb 0.41 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1f6k h GLU 233 CO 0.02 0.53 -0.59 0.82 -1.18 0.00 0.00 179.01 178.60 1f6k h ILE 234 N 0.57 1.40 -0.44 2.32 2.04 -1.17 -2.38 117.51 119.85 1f6k h ILE 234 Ca 0.15 -1.98 -0.08 0.00 1.00 0.00 0.00 64.86 63.94 1f6k h ILE 234 Cb 0.10 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1f6k h ILE 234 CO -0.02 0.58 -0.07 -0.61 0.00 0.00 0.00 178.15 178.03 1f6k h GLN 235 N 0.12 0.76 -0.54 2.37 5.75 -0.40 -0.87 115.11 122.30 1f6k h GLN 235 Ca -0.01 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 1f6k h GLN 235 Cb 1.08 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1f6k h GLN 235 CO 0.09 0.81 0.23 0.45 -2.65 0.00 0.00 178.83 177.76 1f6k h HIS 236 N 0.70 0.81 -0.28 3.99 3.86 -0.21 0.12 115.15 124.13 1f6k h HIS 236 Ca 0.13 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1f6k h HIS 236 Cb 0.53 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 1f6k h HIS 236 CO 0.03 0.66 -0.09 0.28 0.86 0.00 0.00 177.93 179.66 1f6k h VAL 237 N 0.73 1.29 -0.56 2.45 2.07 -1.32 -1.99 116.25 118.91 1f6k h VAL 237 Ca 0.18 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.63 1f6k h VAL 237 Cb 0.18 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1f6k h VAL 237 CO -0.02 0.36 0.22 0.74 0.02 0.00 0.00 177.57 178.90 1f6k h THR 238 N 0.32 0.82 0.00 2.57 2.02 -1.03 -1.58 112.91 116.03 1f6k h THR 238 Ca 0.07 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1f6k h THR 238 Cb 0.59 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1f6k h THR 238 CO 0.03 0.08 -0.20 0.78 0.37 0.00 0.00 175.52 176.58 1f6k h ASN 239 N 0.42 0.00 -0.52 4.18 4.21 -0.59 0.13 115.58 123.41 1f6k h ASN 239 Ca 0.27 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.71 1f6k h ASN 239 Cb 0.30 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 1f6k h ASN 239 CO -0.26 0.20 0.05 0.44 -1.29 0.00 0.00 177.43 176.57 1f6k h ASP 240 N 0.00 0.86 -0.04 5.81 3.32 -0.63 0.22 116.42 125.96 1f6k h ASP 240 Ca -0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1f6k h ASP 240 Cb 0.81 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1f6k h ASP 240 CO 0.03 0.93 0.01 0.25 -1.72 0.00 0.00 179.24 178.74 1f6k h LEU 241 N 0.76 0.06 -0.59 1.55 5.85 -0.55 -2.38 115.31 120.02 1f6k h LEU 241 Ca 0.15 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1f6k h LEU 241 Cb 0.46 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1f6k h LEU 241 CO 0.02 0.24 0.34 0.40 -0.34 0.00 0.00 178.44 179.10 1f6k h ILE 242 N -0.12 1.18 -0.63 4.05 2.04 -0.69 -0.15 117.51 123.18 1f6k h ILE 242 Ca 0.01 -0.43 0.08 0.00 1.00 0.00 0.00 64.86 65.52 1f6k h ILE 242 Cb 0.20 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1f6k h ILE 242 CO -0.00 0.19 0.30 -0.08 0.00 0.00 0.00 178.15 178.56 1f6k h GLU 243 N 0.80 0.51 -0.44 2.37 4.81 -0.48 0.19 114.58 122.33 1f6k h GLU 243 Ca 0.21 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1f6k h GLU 243 Cb 0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1f6k h GLU 243 CO -0.04 0.34 -0.20 0.78 -0.73 0.00 0.00 179.01 179.16 1f6k h GLY 244 N 0.53 0.95 0.94 1.92 0.00 -0.87 -2.17 103.07 104.37 1f6k h GLY 244 Ca 0.31 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1f6k h GLY 244 CO -0.25 0.74 0.05 -2.22 0.00 0.00 0.00 176.54 174.86 1f6k h ILE 245 N 0.76 1.08 -0.78 2.60 2.04 -0.25 -1.28 117.51 121.69 1f6k h ILE 245 Ca 0.11 -0.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1f6k h ILE 245 Cb 0.74 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1f6k h ILE 245 CO 0.06 0.07 0.30 -0.07 0.00 0.00 0.00 178.15 178.50 1f6k h LEU 246 N 0.07 1.09 -0.87 1.44 3.38 -0.57 -1.80 115.31 118.04 1f6k h LEU 246 Ca 0.03 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1f6k h LEU 246 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1f6k h LEU 246 CO -0.01 0.98 -0.37 0.00 0.09 0.00 0.00 178.44 179.13 1f6k h ALA 247 N 1.16 1.04 0.00 1.53 0.00 -1.28 -3.04 119.26 118.66 1f6k h ALA 247 Ca 0.26 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1f6k h ALA 247 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1f6k h ALA 247 CO -0.02 0.59 -0.19 -0.97 0.00 0.00 0.00 179.25 178.67 1f6k h ASN 248 N 0.32 0.00 0.00 0.00 -0.00 -1.07 -3.49 115.58 111.35 1f6k h ASN 248 Ca 0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 56.30 56.28 1f6k h ASN 248 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 1f6k h ASN 248 CO 0.06 0.03 0.00 0.61 -0.00 0.00 0.00 177.43 178.13 1f6k n GLY 249 N 1.29 2.09 0.48 1.57 0.00 -0.69 -4.78 105.19 105.14 1f6k n GLY 249 Ca 0.05 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 1f6k n GLY 249 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6k h LEU 250 N 0.00 -1.37 0.11 0.99 5.85 -1.73 0.50 115.31 119.65 1f6k h LEU 250 Ca 0.00 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1f6k h LEU 250 Cb 0.00 0.48 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1f6k h LEU 250 CO 0.00 -0.61 -0.05 1.88 -0.34 0.00 0.00 178.44 179.32 1f6k h TYR 251 N -0.88 -0.13 -0.33 1.25 -1.99 -1.96 -2.03 116.97 110.90 1f6k h TYR 251 Ca -0.03 -0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 1f6k h TYR 251 Cb 0.81 0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 1f6k h TYR 251 CO -0.31 0.06 -0.15 -0.07 -0.00 0.00 0.00 178.16 177.69 1f6k h LEU 252 N -0.30 0.56 -0.34 3.88 3.38 -1.93 -2.17 115.31 118.40 1f6k h LEU 252 Ca -0.01 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1f6k h LEU 252 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1f6k h LEU 252 CO 0.02 0.73 -0.22 0.74 0.09 0.00 0.00 178.44 179.81 1f6k h THR 253 N 0.52 1.29 -0.70 0.22 2.02 -0.79 -0.91 112.91 114.56 1f6k h THR 253 Ca 0.09 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 1f6k h THR 253 Cb 0.56 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1f6k h THR 253 CO 0.04 0.44 0.25 0.40 0.37 0.00 0.00 175.52 177.02 1f6k h ILE 254 N 0.51 1.24 -0.60 3.11 2.04 -1.22 0.71 117.51 123.31 1f6k h ILE 254 Ca 0.07 -0.80 -0.09 0.00 1.00 0.00 0.00 64.86 65.04 1f6k h ILE 254 Cb 0.77 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1f6k h ILE 254 CO 0.06 0.32 0.04 0.11 0.00 0.00 0.00 178.15 178.67 1f6k h LYS 255 N 1.01 1.03 -0.26 2.37 1.57 -1.26 -0.82 116.57 120.21 1f6k h LYS 255 Ca 0.23 -0.30 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1f6k h LYS 255 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1f6k h LYS 255 CO -0.02 0.98 -0.32 1.49 -0.57 0.00 0.00 179.45 181.02 1f6k h GLU 256 N 0.95 0.54 -0.67 3.15 4.57 -0.57 -0.35 114.58 122.21 1f6k h GLU 256 Ca 0.18 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1f6k h GLU 256 Cb 0.50 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 1f6k h GLU 256 CO 0.02 0.80 0.25 -0.07 -1.18 0.00 0.00 179.01 178.83 1f6k h LEU 257 N 0.47 0.94 -0.57 1.64 3.38 -0.52 -1.53 115.31 119.11 1f6k h LEU 257 Ca 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1f6k h LEU 257 Cb 0.78 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1f6k h LEU 257 CO 0.06 0.87 0.18 -0.07 0.09 0.00 0.00 178.44 179.58 1f6k h LEU 258 N 0.95 0.82 -1.19 1.67 3.38 -0.82 -2.90 115.31 117.23 1f6k h LEU 258 Ca 0.22 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1f6k h LEU 258 Cb 0.24 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1f6k h LEU 258 CO -0.01 0.81 0.57 0.50 0.09 0.00 0.00 178.44 180.39 1f6k h LYS 259 N 0.80 0.93 0.00 1.13 3.64 -0.59 -1.34 116.57 121.14 1f6k h LYS 259 Ca 0.18 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1f6k h LYS 259 Cb 0.27 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1f6k h LYS 259 CO -0.01 0.62 -0.13 -0.07 -2.27 0.00 0.00 179.45 177.59 1f6k h LEU 260 N 0.96 0.00 -1.44 5.20 3.38 -1.08 -1.33 115.31 120.99 1f6k h LEU 260 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1f6k h LEU 260 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1f6k h LEU 260 CO -0.15 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 177.90 1f6k n GLU 261 N -3.47 1.93 -0.48 1.13 -0.58 -0.59 -4.92 120.64 113.67 1f6k n GLU 261 Ca -0.01 -1.42 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 1f6k n GLU 261 Cb 0.29 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1f6k n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1f6k n GLY 262 N 1.20 0.74 3.62 0.62 0.00 -0.50 -5.06 105.19 105.81 1f6k n GLY 262 Ca 0.16 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1f6k n GLY 262 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f6k s VAL 263 N -2.00 5.23 -1.31 1.61 1.01 -0.69 -4.99 120.40 119.25 1f6k s VAL 263 Ca 0.00 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 1f6k s VAL 263 Cb 0.00 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1f6k s VAL 263 CO 0.00 0.21 1.84 -0.67 0.00 0.00 0.00 175.10 176.48 1f6k n ASP 264 N 5.04 4.60 0.00 3.32 2.03 -1.26 -2.81 116.55 127.47 1f6k n ASP 264 Ca -0.10 -2.89 0.12 0.00 0.52 0.00 0.00 54.79 52.44 1f6k n ASP 264 Cb 0.51 -1.72 0.58 0.00 -0.72 0.00 0.00 41.12 39.77 1f6k n ASP 264 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1f6k n ALA 265 N 8.32 2.19 -0.98 -1.67 0.00 -1.26 -4.31 120.51 122.79 1f6k n ALA 265 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1f6k n ALA 265 Cb 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1f6k n ALA 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f6k n GLY 266 N 0.78 0.98 3.97 0.00 0.00 -1.26 -4.06 105.19 105.60 1f6k n GLY 266 Ca 0.10 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1f6k n GLY 266 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f6k s TYR 267 N 0.00 2.87 0.38 1.61 1.51 -0.04 -4.80 117.35 118.88 1f6k s TYR 267 Ca 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1f6k s TYR 267 Cb 0.00 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.05 1f6k s TYR 267 CO 0.00 -0.90 0.60 0.00 -1.11 0.00 0.00 175.55 174.14 1f6k s ARG 269 N -4.41 4.30 0.01 0.00 6.06 -1.26 -4.37 118.95 119.28 1f6k s ARG 269 Ca 0.43 0.47 -0.30 0.00 -2.50 0.00 0.00 55.73 53.82 1f6k s ARG 269 Cb -0.10 -3.41 -0.07 0.00 0.06 0.00 0.00 34.95 31.44 1f6k s ARG 269 CO 0.37 0.23 1.64 -1.21 -2.50 0.00 0.00 175.30 173.83 1f6k s GLU 270 N 0.38 4.20 0.00 5.12 2.02 -1.26 -1.22 118.70 127.94 1f6k s GLU 270 Ca 0.26 2.24 0.22 0.00 0.02 0.00 0.00 54.97 57.71 1f6k s GLU 270 Cb -0.15 -3.79 0.08 0.00 0.10 0.00 0.00 34.13 30.36 1f6k s GLU 270 CO 0.11 -0.77 1.12 -0.35 0.02 0.00 0.00 175.26 175.39 1f6k n PRO 271 N 6.32 1.70 -1.83 0.39 -0.04 -1.26 -5.03 135.00 135.25 1f6k n PRO 271 Ca 0.16 -1.38 -0.33 0.00 -0.04 0.00 0.00 63.50 61.92 1f6k n PRO 271 Cb 0.42 -1.43 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1f6k n PRO 271 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1f6k s MET 272 N -2.13 2.92 0.06 0.54 -1.94 -0.36 -4.92 119.30 113.47 1f6k s MET 272 Ca 0.22 1.37 -0.30 0.00 -1.71 0.00 0.00 55.69 55.26 1f6k s MET 272 Cb 0.18 -1.97 -0.09 0.00 2.01 0.00 0.00 34.83 34.96 1f6k s MET 272 CO 0.42 -1.15 1.92 0.99 -0.01 0.00 0.00 175.02 177.18 1f6k s THR 273 N -2.33 2.86 0.10 2.05 2.01 -1.26 -4.65 115.64 114.42 1f6k s THR 273 Ca 0.67 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.75 1f6k s THR 273 Cb -0.20 -3.03 -0.23 0.00 0.01 0.00 0.00 72.50 69.06 1f6k s THR 273 CO 0.40 -0.00 1.22 0.77 -0.69 0.00 0.00 174.62 176.32 1f6k h SER 274 N 9.92 0.10 -4.43 3.53 4.64 -1.90 -3.41 113.55 122.00 1f6k h SER 274 Ca -0.48 -0.11 -0.62 0.00 -0.47 0.00 0.00 61.79 60.11 1f6k h SER 274 Cb 1.23 -0.03 -0.29 0.00 -0.31 0.00 0.00 62.40 63.00 1f6k h SER 274 CO 0.94 1.09 -0.86 -0.75 -0.87 0.00 0.00 176.83 176.38 1f6k s LYS 275 N -2.69 1.71 0.58 4.77 2.20 -1.26 -1.41 119.74 123.64 1f6k s LYS 275 Ca -0.00 -0.82 -0.18 0.00 -0.36 0.00 0.00 55.97 54.61 1f6k s LYS 275 Cb 0.09 -1.69 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 1f6k s LYS 275 CO 0.83 0.46 1.11 0.00 -0.36 0.00 0.00 175.35 177.39 1f6k s ALA 276 N -0.56 2.64 0.79 3.13 0.00 -1.26 -5.04 121.76 121.46 1f6k s ALA 276 Ca 0.08 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1f6k s ALA 276 Cb -0.09 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1f6k s ALA 276 CO -0.00 -0.89 1.16 0.95 0.00 0.00 0.00 175.76 176.98 1f6k s THR 277 N -2.03 2.25 0.23 0.00 -4.23 -1.26 -4.87 115.64 105.73 1f6k s THR 277 Ca 0.70 0.07 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1f6k s THR 277 Cb -0.21 -3.08 0.21 0.00 1.34 0.00 0.00 72.50 70.76 1f6k s THR 277 CO 0.32 -0.10 1.91 0.00 -0.54 0.00 0.00 174.62 176.20 1f6k h ALA 278 N -0.98 1.14 -0.79 3.99 0.00 -1.99 -1.07 119.26 119.55 1f6k h ALA 278 Ca -0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1f6k h ALA 278 Cb 1.32 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1f6k h ALA 278 CO 0.65 0.55 0.42 0.93 0.00 0.00 0.00 179.25 181.80 1f6k h GLU 279 N 1.22 1.12 -0.69 0.00 3.07 -1.99 -0.11 114.58 117.19 1f6k h GLU 279 Ca 0.33 -0.14 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 1f6k h GLU 279 Cb -0.14 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.53 1f6k h GLU 279 CO -0.07 0.84 0.17 1.96 -1.40 0.00 0.00 179.01 180.51 1f6k h GLN 280 N 1.11 1.11 -0.17 2.33 4.20 -1.78 -1.25 115.11 120.66 1f6k h GLN 280 Ca 0.28 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1f6k h GLN 280 Cb 0.06 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1f6k h GLN 280 CO -0.04 0.98 0.06 0.28 -0.67 0.00 0.00 178.83 179.44 1f6k h VAL 281 N 1.04 1.17 -0.71 -0.54 2.07 -0.84 -1.22 116.25 117.23 1f6k h VAL 281 Ca 0.22 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1f6k h VAL 281 Cb 0.37 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 1f6k h VAL 281 CO 0.00 0.16 0.43 0.00 0.02 0.00 0.00 177.57 178.18 1f6k h ALA 282 N 0.89 0.95 -0.34 1.67 0.00 -0.86 -0.89 119.26 120.67 1f6k h ALA 282 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1f6k h ALA 282 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1f6k h ALA 282 CO -0.00 0.17 -0.20 -0.22 0.00 0.00 0.00 179.25 179.00 1f6k h LYS 283 N 0.82 0.64 -0.53 0.00 1.63 -1.12 -2.15 116.57 115.86 1f6k h LYS 283 Ca 0.30 -0.23 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 1f6k h LYS 283 Cb 0.10 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1f6k h LYS 283 CO -0.14 0.80 0.04 0.00 -3.45 0.00 0.00 179.45 176.70 1f6k h ALA 284 N 1.21 1.07 -0.58 5.00 0.00 -0.53 -1.04 119.26 124.40 1f6k h ALA 284 Ca 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1f6k h ALA 284 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1f6k h ALA 284 CO 0.05 0.59 0.11 0.87 0.00 0.00 0.00 179.25 180.87 1f6k h LYS 285 N 0.82 0.91 -0.46 0.00 1.57 -0.84 -0.66 116.57 117.90 1f6k h LYS 285 Ca 0.16 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1f6k h LYS 285 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1f6k h LYS 285 CO 0.01 0.83 -0.12 -0.44 -0.57 0.00 0.00 179.45 179.16 1f6k h ASP 286 N 0.87 0.83 -0.64 0.86 3.32 -0.73 -0.19 116.42 120.74 1f6k h ASP 286 Ca 0.18 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 1f6k h ASP 286 Cb 0.35 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1f6k h ASP 286 CO 0.00 0.97 0.13 -0.07 -1.72 0.00 0.00 179.24 178.55 1f6k h LEU 287 N 0.75 1.01 -0.32 1.55 3.38 -0.70 -0.39 115.31 120.60 1f6k h LEU 287 Ca 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1f6k h LEU 287 Cb 0.63 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1f6k h LEU 287 CO 0.04 0.99 0.12 0.50 0.09 0.00 0.00 178.44 180.19 1f6k h LYS 288 N 1.00 0.48 -0.49 1.13 3.11 -0.67 -0.93 116.57 120.20 1f6k h LYS 288 Ca 0.20 -0.09 0.03 0.00 -2.81 0.00 0.00 60.65 57.98 1f6k h LYS 288 Cb 0.40 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.52 1f6k h LYS 288 CO 0.01 0.49 0.28 0.00 -2.81 0.00 0.00 179.45 177.42 1f6k h ALA 289 N 0.96 0.63 -0.03 5.00 0.00 -0.78 -0.47 119.26 124.57 1f6k h ALA 289 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 1f6k h ALA 289 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1f6k h ALA 289 CO -0.01 -0.04 -0.93 0.87 0.00 0.00 0.00 179.25 179.15 1f6k h LYS 290 N 0.55 0.55 0.00 0.00 1.57 -0.94 -3.40 116.57 114.91 1f6k h LYS 290 Ca 0.20 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1f6k h LYS 290 Cb 0.05 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1f6k h LYS 290 CO -0.11 1.18 -0.59 1.19 -0.57 0.00 0.00 179.45 180.55 1f6k n PHE 291 N -3.82 0.00 -2.60 -1.35 3.72 -0.37 -4.84 117.46 108.21 1f6k n PHE 291 Ca -0.08 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 1f6k n PHE 291 Cb 0.82 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 39.38 1f6k n PHE 291 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1f6k n LEU 292 N -1.31 2.55 0.00 4.37 4.77 -0.20 -5.03 117.00 122.15 1f6k n LEU 292 Ca 0.00 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.41 1f6k n LEU 292 Cb 0.05 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1f6k n LEU 292 CO 0.05 1.38 0.11 -1.20 -1.33 0.00 0.00 177.39 176.39