#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfx n GLY 3 N 0.00 -2.32 0.35 0.00 0.00 -1.26 -2.95 105.19 99.01 1kfx n GLY 3 Ca 0.00 -0.53 0.32 0.00 0.00 0.00 0.00 46.02 45.81 1kfx n GLY 3 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1kfx h ILE 4 N -0.29 0.08 -0.89 -0.61 -2.65 -2.04 0.19 117.51 111.29 1kfx h ILE 4 Ca -0.04 -0.03 0.24 0.00 1.03 0.00 0.00 64.86 66.07 1kfx h ILE 4 Cb 0.66 -0.01 -0.15 0.00 -2.05 0.00 0.00 36.82 35.27 1kfx h ILE 4 CO 0.01 0.01 0.12 0.00 0.03 0.00 0.00 178.15 178.33 1kfx h ALA 5 N 1.89 1.16 0.34 0.16 0.00 -1.97 0.17 119.26 121.00 1kfx h ALA 5 Ca 0.83 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.99 1kfx h ALA 5 Cb 2.22 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.45 1kfx h ALA 5 CO -0.67 -0.51 -0.16 0.00 0.00 0.00 0.00 179.25 177.91 1kfx h ALA 6 N 1.84 -0.75 0.00 0.00 0.00 -0.50 0.53 119.26 120.38 1kfx h ALA 6 Ca 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1kfx h ALA 6 Cb 1.10 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1kfx h ALA 6 CO -0.75 -0.72 0.10 1.17 0.00 0.00 0.00 179.25 179.05 1kfx n LYS 7 N -3.77 0.00 -0.02 0.00 3.00 -0.87 -0.09 118.16 116.42 1kfx n LYS 7 Ca -0.06 0.18 0.01 0.00 -0.00 0.00 0.00 58.31 58.45 1kfx n LYS 7 Cb 0.18 -1.60 -0.08 0.00 0.00 0.00 0.00 35.03 33.53 1kfx n LYS 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1kfx n LEU 8 N -1.10 0.00 0.07 3.14 7.94 0.56 -4.28 117.00 123.32 1kfx n LEU 8 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 1kfx n LEU 8 Cb 0.10 0.10 0.10 0.00 0.53 0.00 0.00 43.42 44.25 1kfx n LEU 8 CO 0.00 0.10 0.21 0.00 -1.11 0.00 0.00 177.39 176.59 1kfx h ALA 9 N 0.76 0.53 0.00 1.96 0.00 0.18 -3.18 119.26 119.51 1kfx h ALA 9 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1kfx h ALA 9 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kfx h ALA 9 CO 0.01 0.00 -0.02 -0.22 0.00 0.00 0.00 179.25 179.02 1kfx h LYS 10 N 0.00 0.00 -0.05 0.00 3.11 -1.54 -2.99 116.57 115.11 1kfx h LYS 10 Ca 0.00 0.00 -0.12 0.00 -2.81 0.00 0.00 60.65 57.72 1kfx h LYS 10 Cb 0.82 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.06 1kfx h LYS 10 CO 0.00 0.00 -0.43 -0.44 -2.81 0.00 0.00 179.45 175.77 1kfx h ASP 11 N 0.00 0.45 -0.34 4.20 3.45 -1.73 0.54 116.42 123.00 1kfx h ASP 11 Ca 0.00 -0.70 -0.06 0.00 0.43 0.00 0.00 57.03 56.70 1kfx h ASP 11 Cb 0.90 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1kfx h ASP 11 CO 0.00 1.08 0.02 0.08 -1.57 0.00 0.00 179.24 178.85 1kfx h ARG 12 N -0.14 0.68 -0.23 3.56 0.11 -1.67 0.17 114.38 116.86 1kfx h ARG 12 Ca -0.04 -0.16 -0.20 0.00 0.10 0.00 0.00 59.98 59.68 1kfx h ARG 12 Cb 1.11 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.10 1kfx h ARG 12 CO 0.09 0.68 -0.62 0.93 0.10 0.00 0.00 179.97 181.15 1kfx h GLU 13 N 0.65 0.84 0.00 0.08 4.39 -1.40 -2.62 114.58 116.52 1kfx h GLU 13 Ca 0.13 -0.59 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 1kfx h GLU 13 Cb 0.37 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1kfx h GLU 13 CO 0.01 1.21 -0.26 0.00 -1.16 0.00 0.00 179.01 178.82 1kfx h ALA 14 N 0.63 0.97 0.00 3.43 0.00 0.42 -2.23 119.26 122.48 1kfx h ALA 14 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1kfx h ALA 14 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1kfx h ALA 14 CO 0.13 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.67 1kfx h ALA 15 N 1.74 0.99 0.00 0.00 0.00 -0.55 -3.34 119.26 118.10 1kfx h ALA 15 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1kfx h ALA 15 Cb 0.85 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1kfx h ALA 15 CO 0.03 0.05 -0.54 0.93 0.00 0.00 0.00 179.25 179.72 1kfx h GLU 16 N 0.00 0.00 0.00 0.00 5.08 -1.03 -3.49 114.58 115.14 1kfx h GLU 16 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1kfx h GLU 16 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1kfx h GLU 16 CO 0.00 0.37 0.00 0.41 -1.00 0.00 0.00 179.01 178.79 1kfx n GLY 17 N 1.60 -1.65 0.00 -3.84 0.00 -1.03 -5.11 105.19 95.16 1kfx n GLY 17 Ca -0.12 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1kfx n GLY 17 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kfx n LEU 18 N -3.19 0.00 0.00 0.99 7.94 -1.17 -2.31 117.00 119.26 1kfx n LEU 18 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kfx n LEU 18 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kfx n LEU 18 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1kfx n GLY 19 N 0.00 3.10 3.59 -3.96 0.00 0.59 -4.50 105.19 104.00 1kfx n GLY 19 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1kfx n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfx n SER 20 N 1.19 -0.45 -0.05 1.61 3.41 -0.98 -0.64 113.62 117.71 1kfx n SER 20 Ca 0.00 0.36 -0.02 0.00 -0.26 0.00 0.00 58.87 58.95 1kfx n SER 20 Cb 0.00 -1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 62.54 1kfx n SER 20 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1kfx h HIS 21 N -1.86 -0.35 -0.15 7.33 -0.00 -1.91 0.70 115.15 118.91 1kfx h HIS 21 Ca -0.44 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1kfx h HIS 21 Cb 1.28 0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.84 1kfx h HIS 21 CO 0.45 -0.08 -0.09 0.39 -0.00 0.00 0.00 177.93 178.60 1kfx n GLU 22 N -3.33 -0.07 -2.87 5.26 4.71 -1.26 -1.45 120.64 121.64 1kfx n GLU 22 Ca -0.00 0.77 -0.41 0.00 -0.01 0.00 0.00 57.16 57.51 1kfx n GLU 22 Cb 0.06 -1.14 0.01 0.00 -1.01 0.00 0.00 31.44 29.35 1kfx n GLU 22 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1kfx n ARG 23 N -3.17 4.75 -2.54 3.49 1.74 -0.80 -5.04 116.66 115.09 1kfx n ARG 23 Ca 0.00 -4.63 -0.35 0.00 -0.77 0.00 0.00 57.85 52.11 1kfx n ARG 23 Cb 0.04 -2.47 -0.04 0.00 -1.02 0.00 0.00 32.46 28.98 1kfx n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kfx s ALA 24 N -3.48 2.91 0.84 7.54 0.00 0.17 0.22 121.76 129.96 1kfx s ALA 24 Ca 0.36 0.63 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1kfx s ALA 24 Cb 0.12 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 20.09 1kfx s ALA 24 CO -0.01 -0.30 1.16 0.42 0.00 0.00 0.00 175.76 177.04 1kfx s ILE 25 N -1.91 2.28 -0.63 0.00 1.01 0.58 -4.64 121.20 117.89 1kfx s ILE 25 Ca 0.65 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1kfx s ILE 25 Cb -0.18 -2.37 0.16 0.00 0.01 0.00 0.00 42.46 40.08 1kfx s ILE 25 CO 0.21 -0.10 0.43 -0.54 0.00 0.00 0.00 174.94 174.94 1kfx s LYS 26 N -4.43 2.53 0.03 2.79 1.02 -1.26 0.20 119.74 120.62 1kfx s LYS 26 Ca 0.69 -2.59 -0.38 0.00 0.02 0.00 0.00 55.97 53.71 1kfx s LYS 26 Cb -0.24 -3.69 -0.20 0.00 -0.52 0.00 0.00 37.83 33.18 1kfx s LYS 26 CO 0.53 -1.17 0.99 0.98 -0.92 0.00 0.00 175.35 175.76 1kfx n TYR 27 N 3.37 0.47 -1.62 3.18 9.36 -0.91 0.32 117.16 131.32 1kfx n TYR 27 Ca 0.08 1.04 -0.16 0.00 3.32 0.00 0.00 57.90 62.19 1kfx n TYR 27 Cb 0.37 -2.07 -0.06 0.00 -0.63 0.00 0.00 39.34 36.95 1kfx n TYR 27 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1kfx n LEU 28 N 1.58 -1.19 -3.65 2.98 4.77 -1.26 -2.84 117.00 117.40 1kfx n LEU 28 Ca 0.20 0.34 -0.26 0.00 -0.03 0.00 0.00 56.01 56.26 1kfx n LEU 28 Cb 0.11 -2.30 0.04 0.00 -2.33 0.00 0.00 43.42 38.94 1kfx n LEU 28 CO 0.60 -0.71 -0.07 0.59 -1.33 0.00 0.00 177.39 176.47 1kfx n ASN 29 N -0.96 -3.87 -4.30 -1.43 3.02 0.15 -4.99 115.26 102.87 1kfx n ASN 29 Ca -0.16 -0.92 -0.33 0.00 -0.03 0.00 0.00 54.58 53.15 1kfx n ASN 29 Cb 0.53 -3.81 -0.15 0.00 -0.61 0.00 0.00 39.78 35.74 1kfx n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1kfx s GLN 30 N -5.80 3.25 -0.23 3.52 -0.21 -1.13 -5.11 119.66 113.95 1kfx s GLN 30 Ca 0.30 -0.76 -0.09 0.00 0.02 0.00 0.00 55.36 54.83 1kfx s GLN 30 Cb -0.09 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 1kfx s GLN 30 CO 0.83 0.17 0.12 0.34 -2.12 0.00 0.00 175.29 174.63 1kfx s ASP 31 N 0.44 5.75 0.00 5.90 3.68 -1.26 -4.80 116.67 126.38 1kfx s ASP 31 Ca -0.12 0.01 0.00 0.00 2.13 0.00 0.00 52.55 54.57 1kfx s ASP 31 Cb -0.16 -2.03 0.00 0.00 -1.45 0.00 0.00 42.92 39.28 1kfx s ASP 31 CO 0.06 0.06 0.80 0.00 0.13 0.00 0.00 175.17 176.21 1kfx n TYR 32 N 4.34 0.00 -0.33 -5.34 9.36 -1.26 -0.57 117.16 123.36 1kfx n TYR 32 Ca -0.16 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.00 1kfx n TYR 32 Cb 0.52 -0.37 -0.05 0.00 -0.63 0.00 0.00 39.34 38.81 1kfx n TYR 32 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1kfx n GLU 33 N -1.61 -0.30 0.00 2.98 1.02 -1.26 0.14 120.64 121.60 1kfx n GLU 33 Ca 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 57.16 58.35 1kfx n GLU 33 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 1kfx n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kfx n ALA 34 N -3.45 0.00 -0.27 0.62 0.00 -1.18 0.39 120.51 116.61 1kfx n ALA 34 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.53 1kfx n ALA 34 Cb 0.24 0.01 0.13 0.00 0.00 0.00 0.00 19.45 19.82 1kfx n ALA 34 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kfx n LEU 35 N -0.04 -0.25 0.04 0.00 4.32 0.27 0.10 117.00 121.44 1kfx n LEU 35 Ca 0.00 1.32 -0.05 0.00 -0.02 0.00 0.00 56.01 57.26 1kfx n LEU 35 Cb 0.00 -0.41 -0.03 0.00 -1.62 0.00 0.00 43.42 41.36 1kfx n LEU 35 CO 0.00 -1.28 0.50 -0.09 -1.22 0.00 0.00 177.39 175.31 1kfx h ARG 36 N 0.00 -0.22 -0.61 3.23 2.43 0.14 -1.07 114.38 118.28 1kfx h ARG 36 Ca 0.38 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.69 1kfx h ARG 36 Cb 0.63 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.11 1kfx h ARG 36 CO -0.78 -0.14 -0.13 -0.91 -1.51 0.00 0.00 179.97 176.50 1kfx h ASN 37 N -0.22 -0.52 0.00 -3.80 -0.26 0.36 0.26 115.58 111.40 1kfx h ASN 37 Ca -0.00 0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1kfx h ASN 37 Cb 0.22 0.36 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1kfx h ASN 37 CO -0.07 -0.19 0.00 -0.62 -1.06 0.00 0.00 177.43 175.49 1kfx n GLU 38 N -5.40 0.69 0.00 0.81 1.02 0.28 -2.51 120.64 115.53 1kfx n GLU 38 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1kfx n GLU 38 Cb 0.33 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1kfx n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kfx h LEU 40 N 0.00 0.13 -2.08 0.00 3.38 -1.12 0.18 115.31 115.81 1kfx h LEU 40 Ca 0.00 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.02 1kfx h LEU 40 Cb 0.08 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kfx h LEU 40 CO 0.00 1.05 -0.08 -0.33 0.09 0.00 0.00 178.44 179.17 1kfx h GLU 41 N -0.77 0.00 0.00 1.13 5.08 -1.80 -0.29 114.58 117.93 1kfx h GLU 41 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1kfx h GLU 41 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1kfx h GLU 41 CO 0.04 0.08 -0.49 0.00 -1.00 0.00 0.00 179.01 177.64 1kfx h ALA 42 N 1.92 0.74 -0.02 3.43 0.00 -1.81 -3.47 119.26 120.05 1kfx h ALA 42 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1kfx h ALA 42 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kfx h ALA 42 CO 0.01 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.67 1kfx n GLY 43 N 1.17 0.40 3.84 0.00 0.00 -0.12 -5.04 105.19 105.44 1kfx n GLY 43 Ca 0.02 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1kfx n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfx s THR 44 N -2.01 1.46 -0.14 2.61 -4.23 0.02 -5.02 115.64 108.32 1kfx s THR 44 Ca 0.00 -1.71 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1kfx s THR 44 Cb 0.00 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1kfx s THR 44 CO 0.00 0.00 -0.12 -0.76 -0.54 0.00 0.00 174.62 173.20 1kfx s LEU 45 N -4.10 2.70 0.69 4.79 1.43 -1.26 -4.44 118.68 118.49 1kfx s LEU 45 Ca 0.22 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1kfx s LEU 45 Cb -0.00 -1.62 -0.14 0.00 0.03 0.00 0.00 46.19 44.46 1kfx s LEU 45 CO 0.13 0.13 -0.43 0.33 0.23 0.00 0.00 176.35 176.75 1kfx n PHE 46 N 3.76 -3.76 -3.30 0.29 7.35 0.84 -4.99 117.46 117.66 1kfx n PHE 46 Ca -0.18 0.20 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 1kfx n PHE 46 Cb 0.52 -1.46 -0.05 0.00 0.35 0.00 0.00 39.48 38.84 1kfx n PHE 46 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1kfx s GLN 47 N -1.39 0.71 -0.83 -4.13 -0.21 -1.26 -4.95 119.66 107.61 1kfx s GLN 47 Ca 0.46 -0.61 -0.27 0.00 0.02 0.00 0.00 55.36 54.95 1kfx s GLN 47 Cb -0.32 -0.39 -0.18 0.00 1.00 0.00 0.00 33.01 33.12 1kfx s GLN 47 CO 0.69 -1.19 2.54 -0.25 -2.12 0.00 0.00 175.29 174.96 1kfx n ASP 48 N 4.33 0.85 0.17 5.90 8.00 -1.26 -4.76 116.55 129.77 1kfx n ASP 48 Ca 0.11 -0.21 0.13 0.00 0.71 0.00 0.00 54.79 55.53 1kfx n ASP 48 Cb 0.50 -1.14 0.49 0.00 -0.02 0.00 0.00 41.12 40.95 1kfx n ASP 48 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1kfx h PRO 49 N 14.38 0.00 0.15 -0.24 0.13 -1.98 -1.44 132.00 143.00 1kfx h PRO 49 Ca -0.10 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.76 1kfx h PRO 49 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1kfx h PRO 49 CO 1.32 0.00 -1.29 0.77 -0.23 0.00 0.00 178.00 178.57 1kfx h SER 50 N 0.00 0.51 -2.10 1.44 0.02 -1.99 -3.40 113.55 108.04 1kfx h SER 50 Ca 0.00 -0.91 -0.57 0.00 -0.84 0.00 0.00 61.79 59.47 1kfx h SER 50 Cb 0.54 -0.17 -0.40 0.00 0.14 0.00 0.00 62.40 62.51 1kfx h SER 50 CO 0.00 1.59 -0.87 0.33 -1.14 0.00 0.00 176.83 176.73 1kfx n PHE 51 N -3.91 1.61 -0.69 3.45 7.35 -1.15 -5.12 117.46 119.00 1kfx n PHE 51 Ca -0.20 -3.85 -0.32 0.00 -0.76 0.00 0.00 57.45 52.31 1kfx n PHE 51 Cb 0.93 -0.45 0.16 0.00 0.35 0.00 0.00 39.48 40.47 1kfx n PHE 51 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1kfx n PRO 52 N 0.98 -1.09 -1.79 -7.13 -0.02 -0.55 -4.70 135.00 120.70 1kfx n PRO 52 Ca 0.26 -0.28 -0.35 0.00 -2.02 0.00 0.00 63.50 61.10 1kfx n PRO 52 Cb 0.48 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1kfx n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfx n ALA 53 N -4.16 6.49 -3.05 3.55 0.00 -1.26 -4.59 120.51 117.48 1kfx n ALA 53 Ca 0.04 -3.73 -0.03 0.00 0.00 0.00 0.00 53.44 49.73 1kfx n ALA 53 Cb 0.57 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.94 1kfx n ALA 53 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1kfx n ILE 54 N 0.07 0.00 0.02 0.00 -6.64 -1.26 -4.92 119.36 106.64 1kfx n ILE 54 Ca 0.52 -0.22 -0.19 0.00 -1.77 0.00 0.00 62.75 61.09 1kfx n ILE 54 Cb 0.35 -0.90 -0.09 0.00 -1.44 0.00 0.00 39.64 37.56 1kfx n ILE 54 CO 0.00 0.00 0.00 -0.65 -1.77 0.00 0.00 176.55 174.13 1kfx h PRO 55 N 0.00 0.74 -0.30 6.28 0.11 -1.96 -3.28 132.00 133.59 1kfx h PRO 55 Ca -0.03 -0.73 0.09 0.00 0.11 0.00 0.00 66.00 65.43 1kfx h PRO 55 Cb 0.14 0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1kfx h PRO 55 CO 0.04 1.31 0.41 0.66 -0.21 0.00 0.00 178.00 180.22 1kfx h SER 56 N 0.44 0.00 0.33 -2.05 4.64 -1.93 0.39 113.55 115.37 1kfx h SER 56 Ca -0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 1kfx h SER 56 Cb 1.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.70 1kfx h SER 56 CO 0.19 0.00 -0.60 0.00 -0.87 0.00 0.00 176.83 175.55 1kfx h ALA 57 N 1.45 0.82 0.63 5.18 0.00 -1.81 -3.26 119.26 122.28 1kfx h ALA 57 Ca 0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1kfx h ALA 57 Cb 0.97 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1kfx h ALA 57 CO -0.00 0.73 -0.30 -0.07 0.00 0.00 0.00 179.25 179.60 1kfx h LEU 58 N 0.21 -0.72 0.00 0.00 4.07 -0.41 -0.96 115.31 117.50 1kfx h LEU 58 Ca -0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1kfx h LEU 58 Cb 1.11 0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.04 1kfx h LEU 58 CO 0.10 -0.41 0.00 0.61 -1.08 0.00 0.00 178.44 177.66 1kfx n GLY 59 N -0.70 1.73 3.37 0.83 0.00 -1.03 -0.08 105.19 109.29 1kfx n GLY 59 Ca -0.11 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1kfx n GLY 59 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kfx s PHE 60 N -3.04 0.91 0.00 1.61 -0.12 -1.26 -4.29 117.98 111.79 1kfx s PHE 60 Ca 0.00 -1.16 0.00 0.00 -0.05 0.00 0.00 56.93 55.72 1kfx s PHE 60 Cb 0.00 -0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.12 1kfx s PHE 60 CO 0.00 -0.82 0.00 1.63 -0.05 0.00 0.00 175.22 175.98 1kfx n LYS 61 N -0.36 0.00 0.00 1.99 5.02 -1.26 -2.76 118.16 120.80 1kfx n LYS 61 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1kfx n LYS 61 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1kfx n LYS 61 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1kfx n GLU 62 N 0.48 0.00 -0.51 1.97 4.07 -1.26 -4.39 120.64 121.00 1kfx n GLU 62 Ca 0.00 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 57.08 1kfx n GLU 62 Cb 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.54 1kfx n GLU 62 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1kfx n LEU 63 N 0.00 3.92 -4.81 4.31 4.32 -1.23 -4.62 117.00 118.89 1kfx n LEU 63 Ca 0.00 -2.02 -0.32 0.00 -0.02 0.00 0.00 56.01 53.65 1kfx n LEU 63 Cb 0.00 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1kfx n LEU 63 CO 0.00 0.56 0.71 -0.83 -1.22 0.00 0.00 177.39 176.61 1kfx s GLY 64 N -0.30 2.09 1.14 -0.72 0.00 -1.11 -2.75 107.32 105.68 1kfx s GLY 64 Ca 0.28 0.33 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 1kfx s GLY 64 CO 0.07 0.63 0.44 -1.55 0.00 0.00 0.00 173.10 172.69 1kfx n PRO 65 N -1.97 -2.81 0.00 2.90 -0.04 -1.26 -2.32 135.00 129.51 1kfx n PRO 65 Ca 0.08 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1kfx n PRO 65 Cb 0.53 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1kfx n PRO 65 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1kfx n TYR 66 N -4.78 0.00 -1.48 0.54 9.36 -1.26 -4.84 117.16 114.70 1kfx n TYR 66 Ca 0.07 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.90 1kfx n TYR 66 Cb 0.46 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.20 1kfx n TYR 66 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1kfx n SER 67 N 0.90 -0.88 0.06 2.98 2.88 -0.98 -4.75 113.62 113.84 1kfx n SER 67 Ca 0.00 0.76 -0.10 0.00 -1.33 0.00 0.00 58.87 58.20 1kfx n SER 67 Cb 0.00 -1.18 0.02 0.00 -0.75 0.00 0.00 64.21 62.30 1kfx n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1kfx h SER 68 N 0.32 0.44 -1.34 -3.46 0.02 -1.88 -1.83 113.55 105.83 1kfx h SER 68 Ca -0.45 -0.30 0.40 0.00 -0.84 0.00 0.00 61.79 60.60 1kfx h SER 68 Cb 1.40 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 63.71 1kfx h SER 68 CO 0.48 1.05 0.91 0.50 -1.14 0.00 0.00 176.83 178.62 1kfx h LYS 69 N 0.24 0.12 -0.00 3.45 1.63 -1.89 -1.10 116.57 119.01 1kfx h LYS 69 Ca -0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1kfx h LYS 69 Cb 1.34 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1kfx h LYS 69 CO 0.13 0.08 0.00 0.25 -3.45 0.00 0.00 179.45 176.45 1kfx n THR 70 N -4.45 0.02 -2.23 1.00 -2.24 -1.17 -4.98 114.28 100.24 1kfx n THR 70 Ca 0.33 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1kfx n THR 70 Cb 1.37 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 70.59 1kfx n THR 70 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1kfx s ARG 71 N -0.17 4.42 -0.14 -0.78 3.52 -0.42 -4.35 118.95 121.02 1kfx s ARG 71 Ca 0.02 2.06 -0.06 0.00 -0.13 0.00 0.00 55.73 57.62 1kfx s ARG 71 Cb 0.01 -3.16 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1kfx s ARG 71 CO 0.02 -0.17 0.13 0.41 -0.81 0.00 0.00 175.30 174.88 1kfx n GLY 72 N 1.80 -4.36 2.95 8.12 0.00 -1.26 -4.98 105.19 107.47 1kfx n GLY 72 Ca 0.04 0.89 -0.11 0.00 0.00 0.00 0.00 46.02 46.84 1kfx n GLY 72 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kfx s MET 73 N -0.85 0.18 -0.55 1.61 1.75 -1.26 -4.93 119.30 115.25 1kfx s MET 73 Ca -0.15 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.02 1kfx s MET 73 Cb 0.01 0.07 0.14 0.00 2.84 0.00 0.00 34.83 37.89 1kfx s MET 73 CO 0.53 -0.03 0.34 1.03 -0.65 0.00 0.00 175.02 176.24 1kfx s ARG 74 N -0.68 2.30 -0.81 4.11 0.52 -1.01 -4.98 118.95 118.40 1kfx s ARG 74 Ca -0.08 -2.37 -0.26 0.00 -0.52 0.00 0.00 55.73 52.50 1kfx s ARG 74 Cb -0.05 -3.61 0.03 0.00 0.52 0.00 0.00 34.95 31.84 1kfx s ARG 74 CO -0.00 -1.13 1.43 -1.58 0.02 0.00 0.00 175.30 174.03 1kfx s TRP 75 N 0.19 2.26 0.08 -0.53 0.52 -1.26 -1.18 118.94 119.02 1kfx s TRP 75 Ca 0.15 -0.14 0.06 0.00 0.02 0.00 0.00 56.10 56.19 1kfx s TRP 75 Cb -0.22 -4.56 -0.04 0.00 -1.15 0.00 0.00 33.47 27.51 1kfx s TRP 75 CO -0.03 -2.05 -0.11 0.15 0.02 0.00 0.00 176.95 174.93 1kfx s LYS 76 N 5.74 2.19 0.54 4.98 1.02 -0.75 -4.78 119.74 128.67 1kfx s LYS 76 Ca 0.44 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 1kfx s LYS 76 Cb -0.06 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1kfx s LYS 76 CO 0.08 0.53 0.80 1.03 -0.92 0.00 0.00 175.35 176.87 1kfx s ARG 77 N -1.95 2.87 0.10 1.68 0.52 -1.26 -1.71 118.95 119.19 1kfx s ARG 77 Ca 0.20 -0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 54.82 1kfx s ARG 77 Cb -0.11 -2.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.86 1kfx s ARG 77 CO 0.11 -0.58 1.44 -1.35 0.02 0.00 0.00 175.30 174.95 1kfx h PRO 78 N 0.05 -0.36 -0.22 3.54 0.11 -1.90 -2.41 132.00 130.81 1kfx h PRO 78 Ca -0.45 0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.70 1kfx h PRO 78 Cb 1.27 0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 1kfx h PRO 78 CO 0.58 -0.24 -0.13 0.25 -0.21 0.00 0.00 178.00 178.25 1kfx n THR 79 N -4.87 -0.15 0.00 -1.15 -2.24 -1.26 0.16 114.28 104.77 1kfx n THR 79 Ca -0.04 1.44 0.00 0.00 -2.27 0.00 0.00 64.05 63.19 1kfx n THR 79 Cb 0.29 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.65 1kfx n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kfx n GLU 80 N -3.42 0.00 -2.78 -0.78 1.02 -0.92 -3.06 120.64 110.70 1kfx n GLU 80 Ca 0.00 0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1kfx n GLU 80 Cb 0.06 -1.57 0.03 0.00 -0.02 0.00 0.00 31.44 29.93 1kfx n GLU 80 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1kfx n ILE 81 N -0.84 -0.05 0.00 -3.67 -5.35 0.42 -4.89 119.36 104.98 1kfx n ILE 81 Ca 0.00 -1.52 0.00 0.00 -0.27 0.00 0.00 62.75 60.96 1kfx n ILE 81 Cb 0.07 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1kfx n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfx n ALA 83 N 0.00 0.00 -3.31 0.00 0.00 -1.26 -4.98 120.51 110.96 1kfx n ALA 83 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1kfx n ALA 83 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1kfx n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kfx n ASP 84 N 0.00 -4.63 -4.73 0.00 9.92 -1.26 -4.93 116.55 110.91 1kfx n ASP 84 Ca 0.00 -0.44 -0.42 0.00 -0.53 0.00 0.00 54.79 53.39 1kfx n ASP 84 Cb 0.00 -4.12 -0.02 0.00 -0.64 0.00 0.00 41.12 36.34 1kfx n ASP 84 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1kfx n PRO 85 N -3.94 2.60 -4.01 -0.24 -0.02 -1.26 -4.93 135.00 123.21 1kfx n PRO 85 Ca -0.05 0.93 -0.22 0.00 -2.02 0.00 0.00 63.50 62.14 1kfx n PRO 85 Cb 0.57 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 1kfx n PRO 85 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1kfx s GLN 86 N -0.43 3.30 -0.19 -0.52 -1.52 0.32 -4.35 119.66 116.27 1kfx s GLN 86 Ca 0.65 -0.82 -0.19 0.00 -1.95 0.00 0.00 55.36 53.06 1kfx s GLN 86 Cb -0.52 -2.81 -0.20 0.00 -0.22 0.00 0.00 33.01 29.26 1kfx s GLN 86 CO 0.48 0.43 0.23 0.34 -0.25 0.00 0.00 175.29 176.53 1kfx n PHE 87 N -1.23 1.05 -3.58 0.91 7.35 -1.26 -2.07 117.46 118.63 1kfx n PHE 87 Ca -0.08 0.40 -0.02 0.00 -0.76 0.00 0.00 57.45 56.99 1kfx n PHE 87 Cb 0.57 -1.11 -0.05 0.00 0.35 0.00 0.00 39.48 39.23 1kfx n PHE 87 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1kfx s ILE 88 N -2.40 -0.39 -0.24 -2.13 2.07 -1.26 -0.30 121.20 116.55 1kfx s ILE 88 Ca -0.28 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1kfx s ILE 88 Cb 0.06 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.71 1kfx s ILE 88 CO 0.62 0.00 -0.08 0.27 -1.91 0.00 0.00 174.94 173.84 1kfx s ILE 89 N 2.10 1.80 0.00 2.00 -5.25 -1.26 -5.09 121.20 115.51 1kfx s ILE 89 Ca -0.07 -1.36 0.00 0.00 -0.99 0.00 0.00 60.65 58.23 1kfx s ILE 89 Cb -0.07 -1.98 0.00 0.00 2.95 0.00 0.00 42.46 43.36 1kfx s ILE 89 CO -0.18 -0.03 0.00 0.61 -1.79 0.00 0.00 174.94 173.55 1kfx n GLY 90 N 4.58 0.35 2.65 6.27 0.00 -1.26 -4.65 105.19 113.13 1kfx n GLY 90 Ca -0.13 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1kfx n GLY 90 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfx s GLY 91 N -4.21 1.61 1.15 -0.02 0.00 -1.26 -5.13 107.32 99.46 1kfx s GLY 91 Ca 0.00 -2.58 -0.16 0.00 0.00 0.00 0.00 44.72 41.97 1kfx s GLY 91 CO 0.00 1.65 0.58 0.00 0.00 0.00 0.00 173.10 175.33 1kfx n ALA 92 N 3.38 -3.51 0.39 3.20 0.00 -1.26 -4.94 120.51 117.78 1kfx n ALA 92 Ca 0.13 -1.02 0.08 0.00 0.00 0.00 0.00 53.44 52.63 1kfx n ALA 92 Cb 0.37 -0.09 -0.12 0.00 0.00 0.00 0.00 19.45 19.61 1kfx n ALA 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kfx n THR 93 N -4.90 0.00 -4.56 0.00 -2.24 -1.26 -4.93 114.28 96.40 1kfx n THR 93 Ca 0.09 -0.25 -0.27 0.00 -2.27 0.00 0.00 64.05 61.35 1kfx n THR 93 Cb 0.40 0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 69.09 1kfx n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfx s ARG 94 N -2.91 1.96 -0.09 -0.78 1.70 -1.25 -4.63 118.95 112.94 1kfx s ARG 94 Ca -0.00 -2.20 -0.09 0.00 -0.47 0.00 0.00 55.73 52.98 1kfx s ARG 94 Cb 0.12 -0.82 -0.03 0.00 -0.57 0.00 0.00 34.95 33.66 1kfx s ARG 94 CO 0.71 -0.43 -0.17 0.25 -1.08 0.00 0.00 175.30 174.59 1kfx n THR 95 N -0.96 0.73 -0.35 4.99 -2.24 0.66 -4.91 114.28 112.20 1kfx n THR 95 Ca -0.08 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1kfx n THR 95 Cb 0.65 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 1kfx n THR 95 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1kfx n ASP 96 N -3.46 -0.29 -4.79 3.42 2.03 -1.26 -4.97 116.55 107.23 1kfx n ASP 96 Ca -0.07 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.91 1kfx n ASP 96 Cb 0.25 -0.05 0.01 0.00 -0.72 0.00 0.00 41.12 40.60 1kfx n ASP 96 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1kfx s ILE 97 N -2.51 3.63 -0.04 5.18 2.07 -1.26 -0.22 121.20 128.05 1kfx s ILE 97 Ca 0.00 0.85 -0.29 0.00 -1.41 0.00 0.00 60.65 59.79 1kfx s ILE 97 Cb 0.00 -3.34 0.11 0.00 0.13 0.00 0.00 42.46 39.36 1kfx s ILE 97 CO 0.00 -0.39 0.90 0.00 -1.91 0.00 0.00 174.94 173.55 1kfx s GLN 99 N -2.66 3.42 0.00 0.00 -1.52 -1.26 -0.30 119.66 117.34 1kfx s GLN 99 Ca 0.03 -0.40 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 1kfx s GLN 99 Cb -0.01 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1kfx s GLN 99 CO -0.06 0.63 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 1kfx n GLY 100 N 0.56 0.58 0.00 3.09 0.00 0.13 -4.94 105.19 104.60 1kfx n GLY 100 Ca -0.07 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1kfx n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx n ALA 101 N -3.00 -0.02 -0.35 4.61 0.00 -1.08 -3.63 120.51 117.04 1kfx n ALA 101 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1kfx n ALA 101 Cb 0.00 0.12 0.33 0.00 0.00 0.00 0.00 19.45 19.90 1kfx n ALA 101 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kfx h LEU 102 N 0.00 0.78 -9.35 0.00 4.07 -1.84 -3.45 115.31 105.51 1kfx h LEU 102 Ca 0.00 0.10 -0.51 0.00 0.08 0.00 0.00 57.88 57.54 1kfx h LEU 102 Cb 0.00 -0.04 0.24 0.00 1.08 0.00 0.00 40.66 41.93 1kfx h LEU 102 CO 0.00 0.27 -1.53 0.61 -1.08 0.00 0.00 178.44 176.71 1kfx n GLY 103 N -1.33 -3.16 0.00 0.83 0.00 0.61 -4.96 105.19 97.18 1kfx n GLY 103 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1kfx n GLY 103 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kfx n ASP 104 N 1.12 0.00 0.00 1.61 2.03 -1.26 -4.86 116.55 115.19 1kfx n ASP 104 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1kfx n ASP 104 Cb 0.61 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1kfx n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kfx n TRP 106 N 0.00 0.91 -0.06 0.00 4.27 -1.26 -2.81 117.44 118.49 1kfx n TRP 106 Ca 0.00 0.28 -0.14 0.00 -3.89 0.00 0.00 57.50 53.75 1kfx n TRP 106 Cb 0.00 -0.95 -0.03 0.00 -1.36 0.00 0.00 31.31 28.97 1kfx n TRP 106 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1kfx h LEU 107 N 0.00 0.92 -0.60 5.67 -0.00 -1.94 -2.34 115.31 117.02 1kfx h LEU 107 Ca 0.00 -0.50 0.12 0.00 -0.00 0.00 0.00 57.88 57.49 1kfx h LEU 107 Cb 0.68 -0.26 -0.09 0.00 -0.00 0.00 0.00 40.66 40.99 1kfx h LEU 107 CO 0.00 1.29 0.10 -0.07 -0.00 0.00 0.00 178.44 179.76 1kfx h LEU 108 N 0.63 -0.05 -0.02 1.67 -0.00 -1.89 0.61 115.31 116.26 1kfx h LEU 108 Ca 0.01 0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1kfx h LEU 108 Cb 1.16 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 1kfx h LEU 108 CO 0.12 -0.02 -0.09 0.00 -0.00 0.00 0.00 178.44 178.46 1kfx h ALA 109 N 1.49 0.03 -0.57 1.53 0.00 -1.68 -2.25 119.26 117.81 1kfx h ALA 109 Ca 0.31 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kfx h ALA 109 Cb 0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1kfx h ALA 109 CO -0.42 -0.06 0.29 0.00 0.00 0.00 0.00 179.25 179.05 1kfx h ALA 110 N 0.34 0.74 -0.04 0.00 0.00 -1.06 -2.48 119.26 116.77 1kfx h ALA 110 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1kfx h ALA 110 Cb 0.77 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kfx h ALA 110 CO 0.02 -0.07 -0.05 0.82 0.00 0.00 0.00 179.25 179.97 1kfx h ILE 111 N 0.54 1.39 -0.95 0.00 2.04 0.13 -3.31 117.51 117.35 1kfx h ILE 111 Ca 0.26 -1.25 0.10 0.00 1.00 0.00 0.00 64.86 64.97 1kfx h ILE 111 Cb 0.19 2.14 -0.12 0.00 -0.74 0.00 0.00 36.82 38.28 1kfx h ILE 111 CO -0.19 0.34 -0.56 0.00 0.00 0.00 0.00 178.15 177.74 1kfx h ALA 112 N 0.52 -0.46 -0.51 1.87 0.00 -1.16 -0.59 119.26 118.92 1kfx h ALA 112 Ca 0.01 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.14 1kfx h ALA 112 Cb 0.57 1.30 -0.10 0.00 0.00 0.00 0.00 17.79 19.56 1kfx h ALA 112 CO 0.01 -0.92 -0.36 0.77 0.00 0.00 0.00 179.25 178.75 1kfx h SER 113 N -0.03 -1.21 -0.78 0.00 0.02 -1.55 0.14 113.55 110.14 1kfx h SER 113 Ca 0.18 0.22 0.14 0.00 -0.84 0.00 0.00 61.79 61.49 1kfx h SER 113 Cb 0.45 0.57 -0.14 0.00 0.14 0.00 0.00 62.40 63.42 1kfx h SER 113 CO -0.92 -0.32 -0.28 -0.07 -1.14 0.00 0.00 176.83 174.10 1kfx h LEU 114 N -0.22 -1.02 -0.61 5.07 3.38 -1.22 -0.26 115.31 120.44 1kfx h LEU 114 Ca 0.20 0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.54 1kfx h LEU 114 Cb 0.55 0.58 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 1kfx h LEU 114 CO -0.62 -0.28 -0.19 0.74 0.09 0.00 0.00 178.44 178.17 1kfx h THR 115 N -0.05 0.33 -0.14 0.22 2.02 -0.14 -1.73 112.91 113.42 1kfx h THR 115 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 1kfx h THR 115 Cb 0.58 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1kfx h THR 115 CO -0.82 0.00 0.00 0.18 0.37 0.00 0.00 175.52 175.25 1kfx n LEU 116 N -5.43 2.01 -3.21 2.58 4.77 -0.12 -4.00 117.00 113.59 1kfx n LEU 116 Ca 0.07 -1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.94 1kfx n LEU 116 Cb 0.33 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1kfx n LEU 116 CO 0.04 0.33 -0.04 0.20 -1.33 0.00 0.00 177.39 176.59 1kfx s ASN 117 N -0.28 -0.19 0.58 -1.43 -0.87 -0.65 -5.05 114.94 107.05 1kfx s ASN 117 Ca 0.13 -1.46 0.39 0.00 -1.57 0.00 0.00 52.86 50.35 1kfx s ASN 117 Cb 0.10 1.19 2.05 0.00 -0.02 0.00 0.00 41.25 44.57 1kfx s ASN 117 CO 0.04 -0.18 2.19 1.05 -2.57 0.00 0.00 177.10 177.63 1kfx h GLU 118 N 6.57 0.00 0.00 -0.60 4.11 -1.69 -2.59 114.58 120.37 1kfx h GLU 118 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1kfx h GLU 118 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1kfx h GLU 118 CO 0.15 0.00 -0.91 1.49 0.07 0.00 0.00 179.01 179.81 1kfx h GLU 119 N 0.00 0.00 -0.04 1.06 4.81 -1.95 -2.89 114.58 115.58 1kfx h GLU 119 Ca 0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 1kfx h GLU 119 Cb 0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1kfx h GLU 119 CO 0.00 0.00 -0.81 0.82 -0.73 0.00 0.00 179.01 178.29 1kfx h ILE 120 N 0.00 1.41 0.00 2.32 5.03 -1.76 -2.69 117.51 121.81 1kfx h ILE 120 Ca 0.00 -2.32 0.00 0.00 -0.12 0.00 0.00 64.86 62.42 1kfx h ILE 120 Cb 0.92 2.26 0.00 0.00 -3.03 0.00 0.00 36.82 36.97 1kfx h ILE 120 CO 0.00 0.69 0.00 -0.11 -0.68 0.00 0.00 178.15 178.05 1kfx n LEU 121 N -3.78 0.66 0.22 1.44 0.00 -1.14 -2.46 117.00 111.94 1kfx n LEU 121 Ca -0.05 0.58 0.14 0.00 0.00 0.00 0.00 56.01 56.69 1kfx n LEU 121 Cb 0.76 -0.40 0.40 0.00 0.00 0.00 0.00 43.42 44.17 1kfx n LEU 121 CO 0.48 -0.25 0.89 0.00 0.00 0.00 0.00 177.39 178.51 1kfx h ALA 122 N 2.52 1.00 0.13 1.96 0.00 -1.26 -1.75 119.26 121.86 1kfx h ALA 122 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1kfx h ALA 122 Cb 0.61 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.42 1kfx h ALA 122 CO 0.00 0.00 -1.23 0.00 0.00 0.00 0.00 179.25 178.02 1kfx h ARG 123 N 0.00 0.42 0.00 0.00 2.47 -1.54 -3.40 114.38 112.33 1kfx h ARG 123 Ca 0.00 -0.63 -0.07 0.00 -1.26 0.00 0.00 59.98 58.02 1kfx h ARG 123 Cb 0.75 0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.28 1kfx h ARG 123 CO 0.00 1.27 -0.61 0.28 0.56 0.00 0.00 179.97 181.48 1kfx h VAL 124 N 0.16 0.45 -3.57 2.04 2.07 -1.63 -3.39 116.25 112.38 1kfx h VAL 124 Ca -0.16 -1.49 -0.61 0.00 0.82 0.00 0.00 66.70 65.26 1kfx h VAL 124 Cb 1.93 1.00 -0.13 0.00 -1.52 0.00 0.00 31.29 32.57 1kfx h VAL 124 CO 0.22 0.15 -0.31 -0.69 0.02 0.00 0.00 177.57 176.96 1kfx s VAL 125 N -2.17 5.25 -1.41 2.57 1.01 -0.66 -1.02 120.40 123.97 1kfx s VAL 125 Ca -0.17 0.50 -0.14 0.00 0.00 0.00 0.00 61.98 62.17 1kfx s VAL 125 Cb 0.02 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1kfx s VAL 125 CO 0.34 0.26 2.36 -2.65 0.00 0.00 0.00 175.10 175.42 1kfx n PRO 126 N 4.60 2.88 -1.25 2.72 -0.02 -1.26 -4.38 135.00 138.28 1kfx n PRO 126 Ca -0.11 -2.39 -0.28 0.00 -2.02 0.00 0.00 63.50 58.71 1kfx n PRO 126 Cb 0.51 -3.11 -0.15 0.00 -0.02 0.00 0.00 33.50 30.73 1kfx n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1kfx n LEU 127 N 5.59 -0.38 0.00 2.45 4.32 -1.26 -4.05 117.00 123.67 1kfx n LEU 127 Ca 0.58 -0.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1kfx n LEU 127 Cb 0.34 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1kfx n LEU 127 CO 0.90 -0.85 0.00 -3.20 -1.22 0.00 0.00 177.39 173.01 1kfx n ASN 128 N 7.01 0.00 -3.97 -1.43 2.85 -1.26 -5.16 115.26 113.29 1kfx n ASN 128 Ca 0.56 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.94 1kfx n ASN 128 Cb 0.06 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.00 1kfx n ASN 128 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1kfx s GLN 129 N 0.00 0.81 -0.16 1.20 -0.21 -1.26 -5.11 119.66 114.93 1kfx s GLN 129 Ca 0.00 -1.11 -0.35 0.00 0.02 0.00 0.00 55.36 53.92 1kfx s GLN 129 Cb 0.00 0.29 0.14 0.00 1.00 0.00 0.00 33.01 34.44 1kfx s GLN 129 CO 0.00 -0.23 1.25 -1.54 -2.12 0.00 0.00 175.29 172.65 1kfx s SER 130 N -2.91 -0.11 0.00 5.90 1.04 -1.26 -4.76 113.70 111.60 1kfx s SER 130 Ca 0.09 -0.03 0.15 0.00 0.48 0.00 0.00 55.95 56.64 1kfx s SER 130 Cb 0.06 0.13 0.54 0.00 0.10 0.00 0.00 66.02 66.85 1kfx s SER 130 CO -0.08 -0.22 1.40 0.49 0.98 0.00 0.00 173.24 175.81 1kfx n PHE 131 N -0.17 0.32 0.00 5.02 3.01 -1.26 -4.36 117.46 120.02 1kfx n PHE 131 Ca -0.01 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1kfx n PHE 131 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 1kfx n PHE 131 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1kfx n GLN 132 N 0.35 0.34 -3.29 -1.08 3.00 -1.26 -4.73 117.38 110.71 1kfx n GLN 132 Ca 0.14 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.66 1kfx n GLN 132 Cb 0.29 -0.96 -0.04 0.00 0.00 0.00 0.00 30.24 29.54 1kfx n GLN 132 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1kfx s GLU 133 N -1.91 3.27 -0.13 -1.09 2.02 -1.26 -4.43 118.70 115.17 1kfx s GLU 133 Ca 0.00 -2.00 -0.01 0.00 0.02 0.00 0.00 54.97 52.99 1kfx s GLU 133 Cb 0.00 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.86 1kfx s GLU 133 CO 0.00 -1.35 0.12 0.09 0.02 0.00 0.00 175.26 174.14 1kfx n ASN 134 N 4.84 -2.25 -4.72 -0.19 5.03 -1.26 -4.69 115.26 112.02 1kfx n ASN 134 Ca -0.01 -0.06 -0.39 0.00 0.87 0.00 0.00 54.58 54.99 1kfx n ASN 134 Cb 0.43 -0.98 -0.05 0.00 -1.02 0.00 0.00 39.78 38.16 1kfx n ASN 134 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1kfx s TYR 135 N -3.04 3.55 0.00 3.10 5.04 -1.26 -4.88 117.35 119.87 1kfx s TYR 135 Ca 0.03 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 1kfx s TYR 135 Cb -0.01 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.56 1kfx s TYR 135 CO 0.08 0.10 0.22 0.00 -1.34 0.00 0.00 175.55 174.60 1kfx n ALA 136 N 3.82 0.89 -2.00 3.97 0.00 -1.26 -4.94 120.51 120.99 1kfx n ALA 136 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1kfx n ALA 136 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1kfx n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 137 N -0.02 0.60 3.64 0.00 0.00 -1.26 -0.11 105.19 108.04 1kfx n GLY 137 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 1kfx n GLY 137 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kfx s ILE 138 N -2.88 0.00 0.30 -0.61 2.07 -1.26 -3.21 121.20 115.62 1kfx s ILE 138 Ca 0.00 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 1kfx s ILE 138 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1kfx s ILE 138 CO 0.00 0.00 0.14 -0.36 -1.91 0.00 0.00 174.94 172.81 1kfx s PHE 139 N 1.27 1.62 0.11 3.50 0.40 -0.13 -4.97 117.98 119.78 1kfx s PHE 139 Ca -0.07 -1.32 -0.04 0.00 -0.60 0.00 0.00 56.93 54.90 1kfx s PHE 139 Cb -0.05 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1kfx s PHE 139 CO -0.14 -0.46 0.10 -3.38 0.70 0.00 0.00 175.22 172.04 1kfx s HIS 140 N -3.59 0.58 0.07 0.36 -3.43 -1.26 -1.32 115.29 106.71 1kfx s HIS 140 Ca 0.35 -1.01 -0.12 0.00 -0.80 0.00 0.00 55.06 53.48 1kfx s HIS 140 Cb 0.05 -0.31 0.01 0.00 -1.43 0.00 0.00 32.58 30.90 1kfx s HIS 140 CO 0.17 -0.53 0.28 -0.06 -2.00 0.00 0.00 174.74 172.60 1kfx s PHE 141 N -3.97 -0.03 -0.14 0.38 0.40 -0.77 -4.11 117.98 109.74 1kfx s PHE 141 Ca 0.16 -0.23 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1kfx s PHE 141 Cb 0.06 0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.64 1kfx s PHE 141 CO -0.03 -0.55 -0.05 -0.65 0.70 0.00 0.00 175.22 174.64 1kfx s GLN 142 N -3.17 3.46 0.00 0.44 -0.21 -0.19 -0.91 119.66 119.09 1kfx s GLN 142 Ca -0.01 -0.53 0.04 0.00 0.02 0.00 0.00 55.36 54.88 1kfx s GLN 142 Cb 0.01 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 1kfx s GLN 142 CO -0.07 0.33 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.25 1kfx s PHE 143 N 0.10 1.08 0.01 0.91 2.99 -0.38 -4.29 117.98 118.40 1kfx s PHE 143 Ca -0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 56.93 56.44 1kfx s PHE 143 Cb -0.14 -0.68 -0.05 0.00 0.00 0.00 0.00 43.02 42.16 1kfx s PHE 143 CO 0.03 -0.01 0.69 -0.46 -0.00 0.00 0.00 175.22 175.47 1kfx s TRP 144 N -0.45 3.69 -0.10 0.36 -0.00 0.18 -0.71 118.94 121.91 1kfx s TRP 144 Ca 0.03 1.33 -0.04 0.00 -0.00 0.00 0.00 56.10 57.43 1kfx s TRP 144 Cb -0.05 -2.74 0.05 0.00 -0.00 0.00 0.00 33.47 30.73 1kfx s TRP 144 CO -0.00 0.27 0.19 -0.65 -0.00 0.00 0.00 176.95 176.76 1kfx s GLN 145 N 0.03 0.08 -0.16 5.86 -0.21 -0.80 -4.27 119.66 120.19 1kfx s GLN 145 Ca 0.35 0.59 -0.02 0.00 0.02 0.00 0.00 55.36 56.31 1kfx s GLN 145 Cb -0.19 -0.19 0.02 0.00 1.00 0.00 0.00 33.01 33.64 1kfx s GLN 145 CO 0.20 -0.28 0.05 0.66 -2.12 0.00 0.00 175.29 173.80 1kfx n TYR 146 N 5.18 -1.86 0.00 0.91 4.02 -1.26 -0.85 117.16 123.30 1kfx n TYR 146 Ca -0.08 0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1kfx n TYR 146 Cb 0.50 -1.04 0.00 0.00 -0.02 0.00 0.00 39.34 38.79 1kfx n TYR 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kfx n GLY 147 N -0.53 0.93 3.49 2.72 0.00 -1.26 -4.76 105.19 105.78 1kfx n GLY 147 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1kfx n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1kfx s GLU 148 N -0.21 0.72 -0.11 1.61 -1.05 -0.03 -4.97 118.70 114.66 1kfx s GLU 148 Ca 0.00 0.74 -0.29 0.00 -0.15 0.00 0.00 54.97 55.27 1kfx s GLU 148 Cb 0.00 0.35 -0.03 0.00 -0.44 0.00 0.00 34.13 34.01 1kfx s GLU 148 CO 0.00 -0.11 1.38 -1.58 0.95 0.00 0.00 175.26 175.91 1kfx s TRP 149 N 0.14 2.62 -0.04 4.83 0.52 0.19 -1.90 118.94 125.29 1kfx s TRP 149 Ca -0.01 0.77 -0.01 0.00 0.02 0.00 0.00 56.10 56.87 1kfx s TRP 149 Cb -0.04 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.61 1kfx s TRP 149 CO 0.02 -2.36 0.02 0.08 0.02 0.00 0.00 176.95 174.73 1kfx s VAL 150 N 3.46 4.41 -0.25 4.03 1.01 0.11 -0.31 120.40 132.87 1kfx s VAL 150 Ca 0.61 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.18 1kfx s VAL 150 Cb -0.26 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.20 1kfx s VAL 150 CO 0.20 0.48 -0.02 -0.70 0.00 0.00 0.00 175.10 175.06 1kfx s GLU 151 N -1.27 3.13 -0.18 2.72 2.12 0.53 -1.25 118.70 124.50 1kfx s GLU 151 Ca 0.17 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 1kfx s GLU 151 Cb -0.12 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1kfx s GLU 151 CO 0.07 -0.32 0.06 0.08 -0.54 0.00 0.00 175.26 174.61 1kfx s VAL 152 N 1.43 4.77 -0.21 3.70 1.01 -0.09 -2.15 120.40 128.88 1kfx s VAL 152 Ca 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1kfx s VAL 152 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1kfx s VAL 152 CO -0.03 0.46 0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1kfx s VAL 153 N 0.36 4.99 0.03 2.92 1.01 -1.26 -1.84 120.40 126.61 1kfx s VAL 153 Ca 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1kfx s VAL 153 Cb -0.12 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1kfx s VAL 153 CO 0.00 0.42 -0.00 0.54 0.00 0.00 0.00 175.10 176.05 1kfx s VAL 154 N 0.66 0.15 0.38 2.92 0.11 -0.43 -5.00 120.40 119.20 1kfx s VAL 154 Ca 0.05 -1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 57.83 1kfx s VAL 154 Cb -0.13 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1kfx s VAL 154 CO 0.01 -0.69 0.62 1.51 -3.33 0.00 0.00 175.10 173.22 1kfx s ASP 155 N -2.10 6.30 -0.05 3.54 3.84 -1.26 -0.96 116.67 125.99 1kfx s ASP 155 Ca -0.06 0.63 0.03 0.00 -0.00 0.00 0.00 52.55 53.16 1kfx s ASP 155 Cb -0.02 -2.11 0.18 0.00 -1.38 0.00 0.00 42.92 39.58 1kfx s ASP 155 CO -0.05 -0.37 0.83 -0.90 -0.00 0.00 0.00 175.17 174.68 1kfx n ASP 156 N -1.83 1.89 -4.64 2.11 5.68 -1.20 -4.83 116.55 113.73 1kfx n ASP 156 Ca -0.03 -2.18 -0.43 0.00 -0.50 0.00 0.00 54.79 51.66 1kfx n ASP 156 Cb 0.56 -0.48 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 1kfx n ASP 156 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1kfx s ARG 157 N -1.45 4.02 0.09 0.11 0.52 -1.26 -4.18 118.95 116.80 1kfx s ARG 157 Ca 0.12 1.68 0.05 0.00 -0.52 0.00 0.00 55.73 57.06 1kfx s ARG 157 Cb 0.09 -3.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 1kfx s ARG 157 CO 0.04 -1.00 -0.04 -0.51 0.02 0.00 0.00 175.30 173.81 1kfx s LEU 158 N 4.32 3.31 -0.47 2.53 1.43 -0.69 -4.89 118.68 124.20 1kfx s LEU 158 Ca 0.64 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.21 1kfx s LEU 158 Cb -0.24 -2.05 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1kfx s LEU 158 CO 0.24 0.19 1.13 -2.84 0.23 0.00 0.00 176.35 175.29 1kfx s PRO 159 N -2.19 3.72 0.00 1.29 0.02 -1.26 -1.82 135.00 134.76 1kfx s PRO 159 Ca 0.24 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1kfx s PRO 159 Cb -0.11 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.50 1kfx s PRO 159 CO 0.16 -1.37 0.00 0.25 -0.33 0.00 0.00 177.00 175.71 1kfx n THR 160 N 6.82 0.00 0.00 0.99 -2.24 -0.32 -2.15 114.28 117.37 1kfx n THR 160 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1kfx n THR 160 Cb 0.49 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1kfx n THR 160 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kfx n LYS 161 N -0.33 0.00 -2.35 -0.78 4.81 -0.44 -2.39 118.16 116.68 1kfx n LYS 161 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1kfx n LYS 161 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 1kfx n LYS 161 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1kfx n ASP 162 N 0.00 -2.20 0.00 3.14 10.43 -1.26 -3.25 116.55 123.41 1kfx n ASP 162 Ca 0.00 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.30 1kfx n ASP 162 Cb 0.00 -1.00 0.00 0.00 1.84 0.00 0.00 41.12 41.96 1kfx n ASP 162 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kfx n GLY 163 N -0.87 0.00 3.64 0.44 0.00 -1.26 -4.92 105.19 102.23 1kfx n GLY 163 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1kfx n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfx s GLU 164 N -1.54 3.92 -0.12 1.61 0.41 -1.20 -5.06 118.70 116.72 1kfx s GLU 164 Ca 0.00 -0.34 -0.29 0.00 -0.41 0.00 0.00 54.97 53.93 1kfx s GLU 164 Cb 0.00 -3.20 -0.01 0.00 -1.78 0.00 0.00 34.13 29.14 1kfx s GLU 164 CO 0.00 0.31 1.11 -0.51 -0.49 0.00 0.00 175.26 175.68 1kfx s LEU 165 N 0.27 4.22 0.14 1.80 1.02 -1.26 -1.33 118.68 123.54 1kfx s LEU 165 Ca 0.04 1.61 0.27 0.00 0.02 0.00 0.00 54.13 56.07 1kfx s LEU 165 Cb -0.12 -3.55 0.95 0.00 0.02 0.00 0.00 46.19 43.49 1kfx s LEU 165 CO 0.00 -0.58 1.82 0.18 0.02 0.00 0.00 176.35 177.79 1kfx n LEU 166 N 5.56 0.53 0.00 1.79 4.77 -0.91 -4.18 117.00 124.55 1kfx n LEU 166 Ca 0.11 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1kfx n LEU 166 Cb 0.47 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1kfx n LEU 166 CO 0.54 -0.14 0.00 0.49 -1.33 0.00 0.00 177.39 176.94 1kfx n PHE 167 N -2.00 0.00 -2.83 -1.77 3.01 -1.26 -0.28 117.46 112.32 1kfx n PHE 167 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 1kfx n PHE 167 Cb 0.39 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1kfx n PHE 167 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1kfx s VAL 168 N 3.55 4.80 0.33 -4.37 0.11 -1.26 0.17 120.40 123.74 1kfx s VAL 168 Ca 0.00 1.70 -0.08 0.00 -2.93 0.00 0.00 61.98 60.67 1kfx s VAL 168 Cb 0.00 -4.17 0.01 0.00 -1.53 0.00 0.00 36.38 30.69 1kfx s VAL 168 CO 0.00 -0.08 0.55 -1.38 -3.33 0.00 0.00 175.10 170.85 1kfx s HIS 169 N 2.82 0.69 0.09 1.54 -3.43 0.59 -2.85 115.29 114.73 1kfx s HIS 169 Ca 0.38 -1.05 -0.07 0.00 -0.80 0.00 0.00 55.06 53.51 1kfx s HIS 169 Cb -0.15 0.19 -0.05 0.00 -1.43 0.00 0.00 32.58 31.13 1kfx s HIS 169 CO 0.08 -1.20 0.36 0.45 -2.00 0.00 0.00 174.74 172.43 1kfx s SER 170 N -3.15 6.56 0.13 7.38 0.15 -1.26 0.55 113.70 124.05 1kfx s SER 170 Ca 0.25 0.67 -0.14 0.00 0.70 0.00 0.00 55.95 57.44 1kfx s SER 170 Cb -0.02 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 1kfx s SER 170 CO 0.16 0.15 1.58 0.00 1.20 0.00 0.00 173.24 176.33 1kfx h ALA 171 N 3.47 0.58 -0.59 5.45 0.00 -0.91 -3.26 119.26 123.99 1kfx h ALA 171 Ca -0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 53.81 1kfx h ALA 171 Cb 1.18 -0.16 -0.18 0.00 0.00 0.00 0.00 17.79 18.64 1kfx h ALA 171 CO 0.68 0.36 0.45 -1.91 0.00 0.00 0.00 179.25 178.83 1kfx n GLU 172 N -4.42 1.86 0.00 0.00 2.13 -1.26 -5.05 120.64 113.90 1kfx n GLU 172 Ca -0.00 -1.85 0.00 0.00 0.66 0.00 0.00 57.16 55.96 1kfx n GLU 172 Cb 0.29 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1kfx n GLU 172 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1kfx n GLY 173 N -0.22 1.45 5.19 8.31 0.00 -1.23 -4.70 105.19 113.99 1kfx n GLY 173 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1kfx n GLY 173 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kfx n SER 174 N -2.04 0.00 -4.76 1.61 7.64 -1.26 -4.78 113.62 110.03 1kfx n SER 174 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1kfx n SER 174 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1kfx n SER 174 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1kfx s GLU 175 N 0.00 4.48 0.00 1.43 2.02 -1.26 -0.52 118.70 124.85 1kfx s GLU 175 Ca 0.00 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.02 1kfx s GLU 175 Cb 0.00 -3.13 0.00 0.00 0.10 0.00 0.00 34.13 31.10 1kfx s GLU 175 CO 0.00 -0.01 0.08 1.19 0.02 0.00 0.00 175.26 176.54 1kfx n PHE 176 N 1.01 0.00 -0.35 1.61 3.01 -0.88 -4.60 117.46 117.26 1kfx n PHE 176 Ca -0.00 0.00 0.24 0.00 1.01 0.00 0.00 57.45 58.69 1kfx n PHE 176 Cb 0.43 0.00 0.50 0.00 -0.01 0.00 0.00 39.48 40.40 1kfx n PHE 176 CO 0.00 0.00 0.00 0.11 1.01 0.00 0.00 176.76 177.88 1kfx h TRP 177 N 0.00 0.77 0.00 1.38 5.08 -0.89 -1.96 115.95 120.33 1kfx h TRP 177 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1kfx h TRP 177 Cb 0.18 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 1kfx h TRP 177 CO 0.00 -0.02 0.00 0.45 -1.28 0.00 0.00 178.44 177.59 1kfx n SER 178 N -4.78 0.00 -0.19 0.11 2.88 -1.26 -0.35 113.62 110.03 1kfx n SER 178 Ca 0.29 0.51 0.29 0.00 -1.33 0.00 0.00 58.87 58.63 1kfx n SER 178 Cb 0.95 -0.01 0.58 0.00 -0.75 0.00 0.00 64.21 64.98 1kfx n SER 178 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kfx h ALA 179 N -1.99 2.85 0.00 -1.46 0.00 -1.28 -0.48 119.26 116.90 1kfx h ALA 179 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1kfx h ALA 179 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1kfx h ALA 179 CO 0.00 -1.53 -0.26 -0.07 0.00 0.00 0.00 179.25 177.40 1kfx h LEU 180 N 0.00 0.00 -1.79 0.00 3.38 -1.08 -1.48 115.31 114.33 1kfx h LEU 180 Ca 0.47 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1kfx h LEU 180 Cb 2.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.24 1kfx h LEU 180 CO -0.00 0.87 0.48 0.25 0.09 0.00 0.00 178.44 180.13 1kfx h LEU 181 N -1.00 0.00 0.08 1.67 6.46 0.84 1.35 115.31 124.71 1kfx h LEU 181 Ca -0.05 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.41 1kfx h LEU 181 Cb 0.64 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 1kfx h LEU 181 CO -0.03 0.00 -1.53 -0.08 -0.62 0.00 0.00 178.44 176.18 1kfx h GLU 182 N 0.00 0.16 -0.48 1.25 4.81 -1.24 -2.35 114.58 116.73 1kfx h GLU 182 Ca 0.11 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1kfx h GLU 182 Cb 1.07 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1kfx h GLU 182 CO -0.00 0.98 -0.17 -0.22 -0.73 0.00 0.00 179.01 178.87 1kfx h LYS 183 N 0.04 0.93 0.08 1.92 3.64 0.26 -2.28 116.57 121.17 1kfx h LYS 183 Ca -0.23 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1kfx h LYS 183 Cb 1.98 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1kfx h LYS 183 CO 0.13 1.02 -0.07 0.00 -2.27 0.00 0.00 179.45 178.27 1kfx h ALA 184 N 0.98 -0.85 -1.27 5.00 0.00 -0.18 -2.20 119.26 120.74 1kfx h ALA 184 Ca 0.12 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 55.38 1kfx h ALA 184 Cb 0.71 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.67 1kfx h ALA 184 CO 0.05 -0.85 0.85 -0.92 0.00 0.00 0.00 179.25 178.38 1kfx h TYR 185 N -0.14 0.44 -0.39 0.00 5.03 -1.40 1.18 116.97 121.68 1kfx h TYR 185 Ca -0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 1kfx h TYR 185 Cb 0.12 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1kfx h TYR 185 CO -0.04 -0.08 -0.20 0.00 -1.32 0.00 0.00 178.16 176.53 1kfx h ALA 186 N 1.52 0.92 0.93 1.82 0.00 -1.11 -2.51 119.26 120.84 1kfx h ALA 186 Ca 0.72 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1kfx h ALA 186 Cb 2.31 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.95 1kfx h ALA 186 CO -0.28 0.62 -0.45 -0.22 0.00 0.00 0.00 179.25 178.92 1kfx h LYS 187 N 0.66 -1.20 -0.96 0.00 3.64 0.20 1.40 116.57 120.31 1kfx h LYS 187 Ca 0.10 0.08 0.21 0.00 -1.27 0.00 0.00 60.65 59.76 1kfx h LYS 187 Cb 0.69 0.27 -0.08 0.00 -0.41 0.00 0.00 32.23 32.70 1kfx h LYS 187 CO 0.05 -0.80 0.62 0.97 -2.27 0.00 0.00 179.45 178.02 1kfx h ILE 188 N -1.33 0.67 -0.04 2.00 -0.00 -1.46 1.99 117.51 119.35 1kfx h ILE 188 Ca -0.13 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.55 1kfx h ILE 188 Cb 0.96 0.09 0.00 0.00 -0.00 0.00 0.00 36.82 37.86 1kfx h ILE 188 CO 0.21 0.10 0.00 0.59 -0.00 0.00 0.00 178.15 179.05 1kfx n ASN 189 N -4.61 0.67 0.00 2.19 4.13 -0.95 -4.94 115.26 111.75 1kfx n ASN 189 Ca 0.21 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 55.09 1kfx n ASN 189 Cb 0.67 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 1kfx n ASN 189 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kfx n GLY 190 N 1.00 2.12 0.00 7.41 0.00 0.68 -4.88 105.19 111.52 1kfx n GLY 190 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1kfx n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx h TYR 192 N 0.00 -0.72 0.00 0.00 -1.99 -0.61 -2.95 116.97 110.70 1kfx h TYR 192 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1kfx h TYR 192 Cb 0.00 0.24 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1kfx h TYR 192 CO 0.00 -0.41 0.40 -1.91 -0.00 0.00 0.00 178.16 176.24 1kfx n GLU 193 N -5.39 0.06 0.12 4.88 2.13 0.88 0.49 120.64 123.82 1kfx n GLU 193 Ca -0.12 0.51 0.12 0.00 0.66 0.00 0.00 57.16 58.34 1kfx n GLU 193 Cb 0.34 -2.11 0.28 0.00 0.27 0.00 0.00 31.44 30.22 1kfx n GLU 193 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kfx h ALA 194 N 0.89 0.89 0.00 4.31 0.00 -1.77 -2.76 119.26 120.82 1kfx h ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kfx h ALA 194 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1kfx h ALA 194 CO 0.00 0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.11 1kfx h LEU 195 N 0.00 0.00 -8.13 0.00 4.07 -0.11 -1.66 115.31 109.48 1kfx h LEU 195 Ca 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1kfx h LEU 195 Cb 0.82 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.55 1kfx h LEU 195 CO 0.00 0.01 0.17 -0.24 -1.08 0.00 0.00 178.44 177.30 1kfx n SER 196 N -2.41 1.00 0.00 -0.43 2.88 -1.04 -3.16 113.62 110.46 1kfx n SER 196 Ca 0.05 -2.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.49 1kfx n SER 196 Cb 0.45 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.34 1kfx n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfx n GLY 197 N 6.10 0.78 0.00 0.46 0.00 -1.26 -4.84 105.19 106.44 1kfx n GLY 197 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1kfx n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfx n GLY 198 N 0.00 0.00 3.75 -0.02 0.00 -1.19 -4.83 105.19 102.89 1kfx n GLY 198 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1kfx n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx s ALA 199 N 0.00 3.33 0.34 4.61 0.00 -1.26 -4.84 121.76 123.93 1kfx s ALA 199 Ca 0.00 0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.56 1kfx s ALA 199 Cb 0.00 -3.18 0.74 0.00 0.00 0.00 0.00 23.12 20.68 1kfx s ALA 199 CO 0.00 0.13 1.87 1.79 0.00 0.00 0.00 175.76 179.54 1kfx h THR 200 N 3.58 0.87 0.00 0.00 1.35 -1.88 0.27 112.91 117.11 1kfx h THR 200 Ca -0.44 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1kfx h THR 200 Cb 1.21 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1kfx h THR 200 CO 0.69 0.14 -0.09 0.71 -0.25 0.00 0.00 175.52 176.73 1kfx h THR 201 N 0.78 0.96 0.00 6.82 1.35 -1.96 -3.07 112.91 117.79 1kfx h THR 201 Ca 0.45 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 1kfx h THR 201 Cb 0.62 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1kfx h THR 201 CO -0.21 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 174.52 1kfx n GLU 202 N -4.29 0.00 0.01 4.72 1.02 0.92 -3.88 120.64 119.14 1kfx n GLU 202 Ca -0.03 0.10 0.17 0.00 -0.02 0.00 0.00 57.16 57.38 1kfx n GLU 202 Cb 0.17 -0.52 0.26 0.00 -0.02 0.00 0.00 31.44 31.32 1kfx n GLU 202 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1kfx h GLY 203 N 0.00 0.00 1.61 0.62 0.00 -1.59 1.13 103.07 104.84 1kfx h GLY 203 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1kfx h GLY 203 CO 0.00 0.00 -1.03 -2.75 0.00 0.00 0.00 176.54 172.76 1kfx h PHE 204 N 0.00 0.52 -0.37 5.60 3.04 -1.72 -1.36 116.94 122.66 1kfx h PHE 204 Ca 0.29 -0.32 -0.14 0.00 3.98 0.00 0.00 57.97 61.78 1kfx h PHE 204 Cb 2.55 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 41.00 1kfx h PHE 204 CO 0.00 1.17 -0.35 0.93 -2.02 0.00 0.00 178.31 178.04 1kfx h GLU 205 N 0.16 0.84 -0.49 1.11 5.08 0.12 -1.34 114.58 120.06 1kfx h GLU 205 Ca -0.09 -0.41 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1kfx h GLU 205 Cb 1.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.92 1kfx h GLU 205 CO 0.17 1.05 0.33 -0.44 -1.00 0.00 0.00 179.01 179.12 1kfx h ASP 206 N 0.70 0.48 1.13 1.42 5.19 -1.29 1.19 116.42 125.24 1kfx h ASP 206 Ca 0.07 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1kfx h ASP 206 Cb 0.91 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.31 1kfx h ASP 206 CO 0.08 0.34 -0.37 0.49 -3.12 0.00 0.00 179.24 176.66 1kfx n PHE 207 N -4.47 0.73 0.00 4.55 3.72 -0.52 0.47 117.46 121.93 1kfx n PHE 207 Ca 0.05 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1kfx n PHE 207 Cb 0.14 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 1kfx n PHE 207 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1kfx n THR 208 N -2.19 0.00 0.00 4.37 -2.24 -0.57 -4.45 114.28 109.20 1kfx n THR 208 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1kfx n THR 208 Cb 0.44 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1kfx n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfx n GLY 209 N 2.44 0.68 0.86 3.38 0.00 0.40 -4.82 105.19 108.13 1kfx n GLY 209 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1kfx n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfx n GLY 210 N -1.14 -1.89 3.24 -0.02 0.00 -1.26 -4.33 105.19 99.78 1kfx n GLY 210 Ca 0.00 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1kfx n GLY 210 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kfx s ILE 211 N -1.57 2.66 -0.50 -0.61 2.07 -0.19 -4.73 121.20 118.33 1kfx s ILE 211 Ca 0.17 -0.75 -0.20 0.00 -1.41 0.00 0.00 60.65 58.46 1kfx s ILE 211 Cb -0.01 -2.15 0.05 0.00 0.13 0.00 0.00 42.46 40.48 1kfx s ILE 211 CO 0.13 0.50 0.66 0.00 -1.91 0.00 0.00 174.94 174.32 1kfx s ALA 212 N 1.09 3.35 0.01 1.50 0.00 -1.26 -2.43 121.76 124.02 1kfx s ALA 212 Ca 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1kfx s ALA 212 Cb -0.14 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1kfx s ALA 212 CO -0.04 -2.01 0.25 -1.83 0.00 0.00 0.00 175.76 172.13 1kfx s GLU 213 N 2.81 3.54 0.03 0.00 -1.05 -0.84 -4.94 118.70 118.25 1kfx s GLU 213 Ca 0.18 -0.14 0.01 0.00 -0.15 0.00 0.00 54.97 54.87 1kfx s GLU 213 Cb -0.17 -3.08 -0.02 0.00 -0.44 0.00 0.00 34.13 30.42 1kfx s GLU 213 CO 0.14 0.65 -0.05 1.67 0.95 0.00 0.00 175.26 178.62 1kfx s TRP 214 N -1.32 0.43 0.07 4.83 1.48 -1.26 -1.88 118.94 121.29 1kfx s TRP 214 Ca 0.28 -0.47 0.05 0.00 -1.06 0.00 0.00 56.10 54.90 1kfx s TRP 214 Cb -0.13 -0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 31.87 1kfx s TRP 214 CO 0.17 -0.13 -0.14 0.71 -4.06 0.00 0.00 176.95 173.50 1kfx s TYR 215 N -1.30 1.20 -0.55 1.66 1.51 -0.34 -5.03 117.35 114.51 1kfx s TYR 215 Ca -0.12 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.28 1kfx s TYR 215 Cb -0.09 -0.68 0.08 0.00 -0.11 0.00 0.00 41.96 41.16 1kfx s TYR 215 CO -0.00 0.06 0.68 -2.00 -1.11 0.00 0.00 175.55 173.17 1kfx s GLU 216 N -1.78 3.10 0.46 -0.62 2.56 -1.26 -2.55 118.70 118.60 1kfx s GLU 216 Ca -0.02 -1.04 0.21 0.00 0.00 0.00 0.00 54.97 54.12 1kfx s GLU 216 Cb -0.10 -4.17 1.19 0.00 2.00 0.00 0.00 34.13 33.05 1kfx s GLU 216 CO 0.02 -1.38 1.90 -0.07 -0.56 0.00 0.00 175.26 175.17 1kfx h LEU 217 N 9.92 0.27 -0.97 2.70 3.38 -1.84 -2.09 115.31 126.69 1kfx h LEU 217 Ca -0.28 0.02 0.15 0.00 0.09 0.00 0.00 57.88 57.87 1kfx h LEU 217 Cb 1.09 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1kfx h LEU 217 CO 1.03 0.12 -0.37 0.11 0.09 0.00 0.00 178.44 179.42 1kfx h LYS 218 N 0.28 -0.01 -2.55 1.13 1.79 -1.85 -3.23 116.57 112.13 1kfx h LYS 218 Ca 0.41 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.28 1kfx h LYS 218 Cb 1.16 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.42 1kfx h LYS 218 CO -0.11 -0.01 -0.88 0.15 -1.08 0.00 0.00 179.45 177.52 1kfx s LYS 219 N -5.98 1.06 0.53 3.15 3.01 -0.79 -5.11 119.74 115.60 1kfx s LYS 219 Ca -0.14 -2.09 -0.05 0.00 -1.01 0.00 0.00 55.97 52.67 1kfx s LYS 219 Cb 0.21 -1.72 -0.02 0.00 -1.01 0.00 0.00 37.83 35.29 1kfx s LYS 219 CO 0.72 -1.32 0.83 -1.25 0.51 0.00 0.00 175.35 174.84 1kfx s PRO 220 N 0.11 3.25 0.65 -1.68 0.04 -1.19 -4.77 135.00 131.40 1kfx s PRO 220 Ca 0.28 0.08 -0.14 0.00 0.04 0.00 0.00 61.00 61.26 1kfx s PRO 220 Cb -0.05 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1kfx s PRO 220 CO -0.14 -0.43 1.07 -1.25 0.04 0.00 0.00 177.00 176.29 1kfx s PRO 221 N -4.85 3.03 0.17 0.56 0.04 -1.26 -4.95 135.00 127.74 1kfx s PRO 221 Ca 0.50 1.16 -0.17 0.00 0.04 0.00 0.00 61.00 62.54 1kfx s PRO 221 Cb -0.10 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.53 1kfx s PRO 221 CO 0.45 -1.04 1.67 -1.35 0.04 0.00 0.00 177.00 176.77 1kfx h PRO 222 N -0.09 0.01 -0.81 0.56 0.11 -2.06 0.34 132.00 130.06 1kfx h PRO 222 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kfx h PRO 222 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1kfx h PRO 222 CO 0.56 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.45 1kfx n ASN 223 N -5.29 1.43 -0.32 -2.05 5.03 -1.26 -4.33 115.26 108.47 1kfx n ASN 223 Ca 0.02 -2.10 0.19 0.00 0.87 0.00 0.00 54.58 53.56 1kfx n ASN 223 Cb 0.22 -0.45 0.39 0.00 -1.02 0.00 0.00 39.78 38.92 1kfx n ASN 223 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1kfx h LEU 224 N 0.52 0.31 0.07 3.41 5.85 -1.29 -2.97 115.31 121.22 1kfx h LEU 224 Ca 0.00 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1kfx h LEU 224 Cb 0.60 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1kfx h LEU 224 CO 0.05 -0.13 -0.03 0.15 -0.34 0.00 0.00 178.44 178.14 1kfx h PHE 225 N 0.30 -0.09 0.00 1.25 3.57 -1.83 -3.29 116.94 116.85 1kfx h PHE 225 Ca 0.65 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.15 1kfx h PHE 225 Cb 1.41 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.17 1kfx h PHE 225 CO -0.12 0.31 0.00 1.63 -2.23 0.00 0.00 178.31 177.90 1kfx n LYS 226 N -4.79 0.29 0.04 1.11 5.02 -1.12 -2.13 118.16 116.57 1kfx n LYS 226 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1kfx n LYS 226 Cb 0.21 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 1kfx n LYS 226 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kfx n ILE 227 N 1.09 0.18 -0.18 -0.18 2.08 -1.22 -4.57 119.36 116.57 1kfx n ILE 227 Ca 0.00 0.06 -0.00 0.00 0.56 0.00 0.00 62.75 63.37 1kfx n ILE 227 Cb 0.15 -0.95 0.09 0.00 -0.75 0.00 0.00 39.64 38.18 1kfx n ILE 227 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1kfx h ILE 228 N 0.00 0.58 -0.30 1.39 2.04 -1.50 4.11 117.51 123.83 1kfx h ILE 228 Ca 0.00 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1kfx h ILE 228 Cb 0.29 0.41 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 1kfx h ILE 228 CO 0.00 0.03 -0.26 1.56 0.00 0.00 0.00 178.15 179.48 1kfx h GLN 229 N 0.15 -0.23 -0.71 2.37 4.20 -1.83 0.43 115.11 119.49 1kfx h GLN 229 Ca 0.29 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1kfx h GLN 229 Cb 0.45 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1kfx h GLN 229 CO -0.45 -0.16 0.38 0.87 -0.67 0.00 0.00 178.83 178.81 1kfx h LYS 230 N -0.24 0.98 0.00 1.46 1.79 -0.31 0.74 116.57 120.99 1kfx h LYS 230 Ca 0.15 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1kfx h LYS 230 Cb 0.48 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1kfx h LYS 230 CO -0.44 0.73 0.00 0.00 -1.08 0.00 0.00 179.45 178.66 1kfx n ALA 231 N -2.43 -0.03 -0.33 3.86 0.00 1.31 0.29 120.51 123.17 1kfx n ALA 231 Ca 0.07 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.74 1kfx n ALA 231 Cb 0.10 0.07 0.45 0.00 0.00 0.00 0.00 19.45 20.07 1kfx n ALA 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1kfx h LEU 232 N 0.00 0.45 -1.72 0.00 7.12 -0.57 1.39 115.31 121.98 1kfx h LEU 232 Ca 0.00 0.19 0.23 0.00 0.13 0.00 0.00 57.88 58.44 1kfx h LEU 232 Cb 0.00 0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 1kfx h LEU 232 CO 0.00 -0.14 0.62 -0.61 -0.13 0.00 0.00 178.44 178.18 1kfx h GLN 233 N 0.31 0.21 0.04 1.25 4.15 0.11 -1.47 115.11 119.71 1kfx h GLN 233 Ca 0.71 -0.01 -0.27 0.00 0.77 0.00 0.00 58.65 59.85 1kfx h GLN 233 Cb 1.61 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 29.22 1kfx h GLN 233 CO -0.62 0.14 -1.45 0.87 -1.93 0.00 0.00 178.83 175.84 1kfx h LYS 234 N 0.22 0.09 0.00 1.69 1.79 0.65 -0.50 116.57 120.50 1kfx h LYS 234 Ca 0.46 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1kfx h LYS 234 Cb 1.44 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.14 1kfx h LYS 234 CO -0.11 0.87 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1kfx n GLY 235 N 1.54 1.42 3.36 3.86 0.00 -0.56 -3.36 105.19 111.45 1kfx n GLY 235 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1kfx n GLY 235 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kfx n SER 236 N 0.00 -2.09 -4.36 1.61 7.64 -1.22 -4.92 113.62 110.28 1kfx n SER 236 Ca 0.00 -0.04 -0.32 0.00 1.01 0.00 0.00 58.87 59.52 1kfx n SER 236 Cb 0.00 -1.08 -0.15 0.00 -1.01 0.00 0.00 64.21 61.97 1kfx n SER 236 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kfx s LEU 237 N -2.79 2.27 -0.05 -3.43 1.43 -1.17 -4.51 118.68 110.43 1kfx s LEU 237 Ca 0.59 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 1kfx s LEU 237 Cb -0.17 -1.41 -0.00 0.00 0.03 0.00 0.00 46.19 44.64 1kfx s LEU 237 CO 0.66 0.33 -0.18 -0.76 0.23 0.00 0.00 176.35 176.62 1kfx s LEU 238 N -0.67 1.94 0.00 1.79 1.02 -1.26 -0.69 118.68 120.81 1kfx s LEU 238 Ca 0.11 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1kfx s LEU 238 Cb -0.10 -1.03 -0.00 0.00 0.02 0.00 0.00 46.19 45.07 1kfx s LEU 238 CO -0.00 0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1kfx n GLY 239 N 3.11 3.86 3.38 -3.19 0.00 -0.74 0.98 105.19 112.59 1kfx n GLY 239 Ca -0.18 -2.29 0.03 0.00 0.00 0.00 0.00 46.02 43.58 1kfx n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx s SER 241 N 1.69 4.33 -0.17 0.00 0.01 -0.99 -1.18 113.70 117.39 1kfx s SER 241 Ca -0.03 -1.55 -0.14 0.00 1.31 0.00 0.00 55.95 55.54 1kfx s SER 241 Cb -0.02 0.62 0.05 0.00 0.21 0.00 0.00 66.02 66.88 1kfx s SER 241 CO -0.14 -1.01 0.45 -0.63 0.41 0.00 0.00 173.24 172.33 1kfx s ILE 242 N -2.87 -0.01 0.01 1.44 1.01 -1.26 -1.40 121.20 118.13 1kfx s ILE 242 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1kfx s ILE 242 Cb -0.01 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1kfx s ILE 242 CO 0.08 0.01 0.06 -0.90 0.00 0.00 0.00 174.94 174.19 1kfx n ASP 243 N 3.23 0.00 0.00 3.58 5.75 -1.26 -4.18 116.55 123.66 1kfx n ASP 243 Ca -0.16 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1kfx n ASP 243 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1kfx n ASP 243 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kfx n LYS 260 N -0.21 0.00 -1.01 0.11 5.02 -1.26 -5.09 118.16 115.72 1kfx n LYS 260 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1kfx n LYS 260 Cb 0.06 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.00 1kfx n LYS 260 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kfx n GLY 261 N 0.00 3.44 3.25 0.72 0.00 -1.26 -4.83 105.19 106.51 1kfx n GLY 261 Ca 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.59 1kfx n GLY 261 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1kfx s HIS 262 N -0.40 2.42 -0.27 1.61 5.04 -1.26 -5.03 115.29 117.40 1kfx s HIS 262 Ca 0.45 -0.76 -0.18 0.00 -1.54 0.00 0.00 55.06 53.03 1kfx s HIS 262 Cb 0.26 -1.59 -0.02 0.00 0.04 0.00 0.00 32.58 31.26 1kfx s HIS 262 CO -0.06 -0.24 0.51 0.00 -2.34 0.00 0.00 174.74 172.61 1kfx s ALA 263 N -0.08 3.57 0.07 1.58 0.00 -1.26 -4.40 121.76 121.24 1kfx s ALA 263 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1kfx s ALA 263 Cb -0.14 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.08 1kfx s ALA 263 CO 0.04 -0.80 0.08 0.66 0.00 0.00 0.00 175.76 175.74 1kfx n TYR 264 N 5.57 -2.57 -3.95 0.00 4.02 -0.33 -4.78 117.16 115.12 1kfx n TYR 264 Ca -0.04 -0.26 -0.13 0.00 -0.01 0.00 0.00 57.90 57.47 1kfx n TYR 264 Cb 0.50 -0.06 -0.14 0.00 -0.02 0.00 0.00 39.34 39.62 1kfx n TYR 264 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1kfx s SER 265 N -1.42 0.20 -0.76 7.72 0.01 -1.02 -2.62 113.70 115.81 1kfx s SER 265 Ca 0.06 -0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.10 1kfx s SER 265 Cb -0.01 -0.00 0.20 0.00 0.21 0.00 0.00 66.02 66.42 1kfx s SER 265 CO 0.04 -0.03 0.68 -0.69 0.41 0.00 0.00 173.24 173.65 1kfx s VAL 266 N -0.25 5.26 -2.00 3.43 1.01 0.28 -0.21 120.40 127.91 1kfx s VAL 266 Ca -0.02 -2.42 0.20 0.00 0.00 0.00 0.00 61.98 59.74 1kfx s VAL 266 Cb -0.02 -4.28 0.56 0.00 0.00 0.00 0.00 36.38 32.64 1kfx s VAL 266 CO -0.00 -0.98 1.63 0.35 0.00 0.00 0.00 175.10 176.09 1kfx n THR 267 N 4.06 0.00 0.00 3.92 -2.24 -0.64 -4.35 114.28 115.03 1kfx n THR 267 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1kfx n THR 267 Cb 0.45 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 1kfx n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfx n GLY 268 N 0.49 2.87 3.16 3.38 0.00 -1.23 -5.00 105.19 108.86 1kfx n GLY 268 Ca 0.15 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.66 1kfx n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx s ALA 269 N -1.99 -3.55 -0.12 4.61 0.00 -1.26 -0.00 121.76 119.45 1kfx s ALA 269 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1kfx s ALA 269 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1kfx s ALA 269 CO 0.00 -1.44 0.02 -2.00 0.00 0.00 0.00 175.76 172.34 1kfx s GLU 270 N 2.91 3.33 -0.98 0.00 2.56 -1.25 -4.72 118.70 120.55 1kfx s GLU 270 Ca -0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 54.97 54.47 1kfx s GLU 270 Cb -0.09 -2.93 -0.11 0.00 2.00 0.00 0.00 34.13 33.00 1kfx s GLU 270 CO -0.10 0.55 2.74 -1.91 -0.56 0.00 0.00 175.26 175.98 1kfx n GLU 271 N 2.62 2.66 -1.53 4.30 2.13 -1.26 -2.89 120.64 126.67 1kfx n GLU 271 Ca -0.18 -1.60 -0.57 0.00 0.66 0.00 0.00 57.16 55.46 1kfx n GLU 271 Cb 0.53 -2.46 -0.07 0.00 0.27 0.00 0.00 31.44 29.71 1kfx n GLU 271 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1kfx n VAL 272 N 3.50 0.00 -4.04 6.31 0.31 -1.25 -4.52 118.33 118.65 1kfx n VAL 272 Ca 0.57 -0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.55 1kfx n VAL 272 Cb 0.34 -0.24 -0.13 0.00 -0.91 0.00 0.00 33.84 32.90 1kfx n VAL 272 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1kfx s GLU 273 N 0.22 3.53 -0.06 5.55 -1.05 -1.26 -1.24 118.70 124.38 1kfx s GLU 273 Ca 0.90 -0.56 0.04 0.00 -0.15 0.00 0.00 54.97 55.19 1kfx s GLU 273 Cb -1.19 -3.05 0.22 0.00 -0.44 0.00 0.00 34.13 29.67 1kfx s GLU 273 CO 0.55 -0.06 0.84 0.43 0.95 0.00 0.00 175.26 177.97 1kfx n SER 274 N 4.43 2.26 0.00 0.83 7.64 -1.26 -4.80 113.62 122.73 1kfx n SER 274 Ca -0.17 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1kfx n SER 274 Cb 0.51 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1kfx n SER 274 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1kfx n ASN 275 N 0.17 0.00 0.00 6.43 2.85 -1.26 -4.10 115.26 119.35 1kfx n ASN 275 Ca 0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1kfx n ASN 275 Cb 0.50 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 39.91 1kfx n ASN 275 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1kfx n GLY 276 N -1.16 0.10 1.01 8.20 0.00 -1.26 -4.92 105.19 107.15 1kfx n GLY 276 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kfx n GLY 276 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfx n SER 277 N -0.48 0.42 -2.30 1.61 3.41 -1.26 -5.08 113.62 109.94 1kfx n SER 277 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1kfx n SER 277 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1kfx n SER 277 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1kfx n LEU 278 N -2.85 -4.38 -4.41 1.04 7.94 -1.26 -4.86 117.00 108.21 1kfx n LEU 278 Ca 0.00 -0.07 -0.45 0.00 -1.11 0.00 0.00 56.01 54.39 1kfx n LEU 278 Cb 0.42 -2.15 -0.03 0.00 0.53 0.00 0.00 43.42 42.20 1kfx n LEU 278 CO 0.00 -0.51 0.78 -1.10 -1.11 0.00 0.00 177.39 175.45 1kfx s GLN 279 N -3.07 3.52 0.59 1.96 -1.52 -0.38 -4.88 119.66 115.90 1kfx s GLN 279 Ca 0.02 -1.84 -0.18 0.00 -1.95 0.00 0.00 55.36 51.41 1kfx s GLN 279 Cb -0.00 -4.70 -0.03 0.00 -0.22 0.00 0.00 33.01 28.05 1kfx s GLN 279 CO 0.38 -1.64 1.19 -1.59 -0.25 0.00 0.00 175.29 173.38 1kfx s LYS 280 N 2.15 2.99 0.19 2.91 0.00 -1.23 -3.92 119.74 122.82 1kfx s LYS 280 Ca 0.27 1.75 0.04 0.00 0.00 0.00 0.00 55.97 58.02 1kfx s LYS 280 Cb -0.09 -1.94 -0.05 0.00 0.00 0.00 0.00 37.83 35.76 1kfx s LYS 280 CO -0.07 -1.17 -0.04 -0.51 0.00 0.00 0.00 175.35 173.56 1kfx s LEU 281 N -4.13 2.31 -0.19 2.77 1.43 -1.14 -4.38 118.68 115.35 1kfx s LEU 281 Ca 0.76 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1kfx s LEU 281 Cb -0.28 -0.27 0.03 0.00 0.03 0.00 0.00 46.19 45.70 1kfx s LEU 281 CO 0.33 -0.45 -0.17 -0.63 0.23 0.00 0.00 176.35 175.66 1kfx s ILE 282 N -3.42 1.99 -1.21 -0.59 1.09 -1.19 -3.76 121.20 114.10 1kfx s ILE 282 Ca 0.23 -1.02 -0.14 0.00 -1.10 0.00 0.00 60.65 58.62 1kfx s ILE 282 Cb 0.04 -1.87 0.16 0.00 -1.06 0.00 0.00 42.46 39.73 1kfx s ILE 282 CO 0.05 0.41 1.46 -0.60 -0.10 0.00 0.00 174.94 176.16 1kfx s ARG 283 N 1.29 4.08 0.71 2.79 3.52 1.00 -1.48 118.95 130.86 1kfx s ARG 283 Ca 0.02 -2.53 -0.11 0.00 -0.13 0.00 0.00 55.73 52.98 1kfx s ARG 283 Cb -0.14 -5.10 0.02 0.00 -1.56 0.00 0.00 34.95 28.16 1kfx s ARG 283 CO -0.11 -1.81 1.07 0.42 -0.81 0.00 0.00 175.30 174.06 1kfx s ILE 284 N 1.79 3.86 0.09 4.11 1.01 -1.26 -1.62 121.20 129.18 1kfx s ILE 284 Ca 0.44 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.61 1kfx s ILE 284 Cb -0.02 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1kfx s ILE 284 CO 0.01 -0.79 0.18 -0.60 0.00 0.00 0.00 174.94 173.74 1kfx s ARG 285 N -5.03 0.84 -0.07 2.79 3.00 0.70 -4.70 118.95 116.47 1kfx s ARG 285 Ca 0.59 -0.97 0.05 0.00 -1.00 0.00 0.00 55.73 54.40 1kfx s ARG 285 Cb -0.14 0.34 -0.01 0.00 0.00 0.00 0.00 34.95 35.14 1kfx s ARG 285 CO 0.55 -0.26 -0.25 1.21 0.00 0.00 0.00 175.30 176.55 1kfx s ASN 286 N -2.86 3.08 0.21 -2.12 2.47 -1.26 -2.45 114.94 112.01 1kfx s ASN 286 Ca 0.05 -0.53 -0.04 0.00 0.42 0.00 0.00 52.86 52.76 1kfx s ASN 286 Cb 0.05 -1.03 0.19 0.00 -1.45 0.00 0.00 41.25 39.00 1kfx s ASN 286 CO -0.11 0.22 1.62 -0.65 -3.72 0.00 0.00 177.10 174.46 1kfx h PRO 287 N 6.28 0.74 0.00 0.43 0.11 -1.90 -3.06 132.00 134.60 1kfx h PRO 287 Ca -0.27 -0.31 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1kfx h PRO 287 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1kfx h PRO 287 CO 0.47 0.92 0.00 0.91 -0.21 0.00 0.00 178.00 180.09 1kfx n TRP 288 N -4.10 0.00 0.00 0.65 8.01 -1.26 -0.24 117.44 120.49 1kfx n TRP 288 Ca -0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1kfx n TRP 288 Cb 0.45 -0.13 0.00 0.00 -2.01 0.00 0.00 31.31 29.61 1kfx n TRP 288 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kfx n GLY 289 N 0.96 2.09 3.70 6.99 0.00 -1.16 -4.59 105.19 113.17 1kfx n GLY 289 Ca 0.18 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1kfx n GLY 289 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kfx n GLU 290 N 0.00 1.36 -3.73 1.61 0.28 -1.26 -4.79 120.64 114.10 1kfx n GLU 290 Ca 0.00 0.51 -0.12 0.00 -0.16 0.00 0.00 57.16 57.38 1kfx n GLU 290 Cb 0.00 -2.42 -0.11 0.00 1.43 0.00 0.00 31.44 30.34 1kfx n GLU 290 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1kfx s VAL 291 N -1.36 -0.01 -0.28 3.84 1.01 -1.26 -4.80 120.40 117.54 1kfx s VAL 291 Ca 0.74 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.51 1kfx s VAL 291 Cb -0.42 -0.54 0.09 0.00 0.00 0.00 0.00 36.38 35.51 1kfx s VAL 291 CO 0.48 0.01 0.85 -0.70 0.00 0.00 0.00 175.10 175.73 1kfx s GLU 292 N 0.51 0.68 0.00 2.72 2.12 -1.26 -5.19 118.70 118.27 1kfx s GLU 292 Ca -0.02 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1kfx s GLU 292 Cb -0.04 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.65 1kfx s GLU 292 CO -0.03 -0.09 0.00 -2.67 -0.54 0.00 0.00 175.26 171.93 1kfx n TRP 293 N 2.76 -0.28 -3.91 5.30 4.27 -1.26 -5.11 117.44 119.20 1kfx n TRP 293 Ca -0.14 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.17 1kfx n TRP 293 Cb 0.56 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.37 1kfx n TRP 293 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 1kfx s THR 294 N -2.29 2.28 0.02 -1.67 -1.32 -1.26 -4.90 115.64 106.51 1kfx s THR 294 Ca 0.00 -3.01 0.00 0.00 -1.21 0.00 0.00 61.69 57.47 1kfx s THR 294 Cb 0.00 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1kfx s THR 294 CO 0.00 -0.79 0.00 0.61 -2.21 0.00 0.00 174.62 172.23 1kfx n GLY 295 N 3.37 -1.64 0.00 6.08 0.00 -1.26 -5.10 105.19 106.64 1kfx n GLY 295 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1kfx n GLY 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfx n ARG 296 N -2.64 0.00 -0.92 1.61 5.12 -1.26 -4.76 116.66 113.80 1kfx n ARG 296 Ca 0.00 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1kfx n ARG 296 Cb 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.27 1kfx n ARG 296 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 1kfx n TRP 325 N 0.00 -1.66 -4.16 -1.55 7.02 -1.26 -5.08 117.44 110.75 1kfx n TRP 325 Ca 0.00 0.88 -0.16 0.00 -1.02 0.00 0.00 57.50 57.20 1kfx n TRP 325 Cb 0.00 -1.51 -0.13 0.00 -2.42 0.00 0.00 31.31 27.26 1kfx n TRP 325 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1kfx s MET 326 N -3.49 0.61 0.00 -0.99 -1.94 -0.55 -4.91 119.30 108.03 1kfx s MET 326 Ca 0.00 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1kfx s MET 326 Cb 0.00 -0.50 0.00 0.00 2.01 0.00 0.00 34.83 36.34 1kfx s MET 326 CO 0.00 0.12 0.15 -1.13 -0.01 0.00 0.00 175.02 174.14 1kfx n SER 327 N 1.98 0.26 0.00 3.03 3.41 -1.26 -3.20 113.62 117.84 1kfx n SER 327 Ca -0.19 -0.55 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 1kfx n SER 327 Cb 0.56 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1kfx n SER 327 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1kfx n PHE 328 N 0.31 0.00 0.91 7.33 -0.00 -1.26 -4.55 117.46 120.20 1kfx n PHE 328 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.45 57.49 1kfx n PHE 328 Cb 0.07 -1.49 0.12 0.00 -0.00 0.00 0.00 39.48 38.18 1kfx n PHE 328 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1kfx n SER 329 N 0.20 1.79 0.02 -2.13 2.88 -1.26 -3.50 113.62 111.63 1kfx n SER 329 Ca 0.00 -2.11 -0.07 0.00 -1.33 0.00 0.00 58.87 55.36 1kfx n SER 329 Cb 0.30 -0.30 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1kfx n SER 329 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 1kfx h ASP 330 N 1.46 0.52 -0.39 -3.46 2.03 -1.90 -2.54 116.42 112.13 1kfx h ASP 330 Ca 0.00 -0.26 0.11 0.00 -0.73 0.00 0.00 57.03 56.16 1kfx h ASP 330 Cb 0.57 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.90 1kfx h ASP 330 CO 0.06 0.93 0.34 2.19 -1.03 0.00 0.00 179.24 181.72 1kfx h PHE 331 N 0.38 0.00 -0.00 4.15 -0.00 -1.85 1.92 116.94 121.53 1kfx h PHE 331 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.99 1kfx h PHE 331 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 1kfx h PHE 331 CO 0.04 0.00 -0.38 1.28 -0.00 0.00 0.00 178.31 179.24 1kfx n LEU 332 N -4.06 0.64 -0.08 2.10 4.77 -0.97 -4.30 117.00 115.10 1kfx n LEU 332 Ca 0.07 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1kfx n LEU 332 Cb 0.52 -0.22 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 1kfx n LEU 332 CO 0.32 0.14 -1.05 0.54 -1.33 0.00 0.00 177.39 176.01 1kfx n ARG 333 N -1.20 0.42 -3.70 3.23 5.12 0.56 -5.02 116.66 116.07 1kfx n ARG 333 Ca 0.08 0.10 -0.34 0.00 -1.93 0.00 0.00 57.85 55.76 1kfx n ARG 333 Cb 0.34 -1.32 -0.05 0.00 -1.16 0.00 0.00 32.46 30.26 1kfx n ARG 333 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1kfx s HIS 334 N -2.33 3.57 -0.18 -1.55 3.76 0.35 -5.00 115.29 113.90 1kfx s HIS 334 Ca -0.23 0.63 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 1kfx s HIS 334 Cb 0.06 -2.04 -0.22 0.00 1.11 0.00 0.00 32.58 31.50 1kfx s HIS 334 CO 0.38 0.57 0.10 0.98 -0.85 0.00 0.00 174.74 175.92 1kfx n TYR 335 N 0.96 0.42 -4.26 1.40 9.36 -0.99 -4.72 117.16 119.34 1kfx n TYR 335 Ca -0.09 0.11 -0.17 0.00 3.32 0.00 0.00 57.90 61.06 1kfx n TYR 335 Cb 0.52 -1.06 -0.13 0.00 -0.63 0.00 0.00 39.34 38.04 1kfx n TYR 335 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1kfx s SER 336 N -6.34 1.20 -0.03 2.98 0.15 -0.49 -3.09 113.70 108.07 1kfx s SER 336 Ca -0.22 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1kfx s SER 336 Cb 0.08 -0.07 0.03 0.00 -1.71 0.00 0.00 66.02 64.34 1kfx s SER 336 CO 0.72 -0.00 0.01 -0.60 1.20 0.00 0.00 173.24 174.57 1kfx s ARG 337 N -0.92 0.19 -0.11 5.44 3.52 -1.06 -2.34 118.95 123.67 1kfx s ARG 337 Ca -0.01 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.68 1kfx s ARG 337 Cb -0.07 -0.39 0.03 0.00 -1.56 0.00 0.00 34.95 32.97 1kfx s ARG 337 CO 0.01 -0.14 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.83 1kfx s LEU 338 N 0.99 0.96 -0.20 -0.88 1.02 -1.16 -1.20 118.68 118.21 1kfx s LEU 338 Ca -0.09 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.66 1kfx s LEU 338 Cb -0.13 -0.62 -0.03 0.00 0.02 0.00 0.00 46.19 45.43 1kfx s LEU 338 CO -0.02 -0.20 0.02 -1.83 0.02 0.00 0.00 176.35 174.34 1kfx s GLU 339 N 1.85 3.71 -0.76 1.70 -1.05 -0.79 -1.80 118.70 121.57 1kfx s GLU 339 Ca 0.03 -0.47 -0.06 0.00 -0.15 0.00 0.00 54.97 54.31 1kfx s GLU 339 Cb -0.14 -3.12 0.20 0.00 -0.44 0.00 0.00 34.13 30.63 1kfx s GLU 339 CO -0.07 0.08 0.64 -1.50 0.95 0.00 0.00 175.26 175.36 1kfx s ILE 340 N 0.84 4.54 0.78 1.83 2.07 0.13 -1.98 121.20 129.40 1kfx s ILE 340 Ca 0.01 -3.00 -0.14 0.00 -1.41 0.00 0.00 60.65 56.11 1kfx s ILE 340 Cb -0.14 -3.86 0.06 0.00 0.13 0.00 0.00 42.46 38.65 1kfx s ILE 340 CO 0.02 -0.98 1.16 0.00 -1.91 0.00 0.00 174.94 173.23 1kfx s ASN 342 N -1.94 2.98 0.06 0.00 0.01 -1.26 -1.02 114.94 113.78 1kfx s ASN 342 Ca 0.74 -0.88 -0.31 0.00 -0.71 0.00 0.00 52.86 51.71 1kfx s ASN 342 Cb -0.31 -0.20 -0.08 0.00 0.41 0.00 0.00 41.25 41.07 1kfx s ASN 342 CO 0.50 0.02 1.71 -1.48 -1.51 0.00 0.00 177.10 176.34 1kfx s LEU 343 N -2.74 4.37 0.57 0.60 0.05 -1.26 -4.71 118.68 115.57 1kfx s LEU 343 Ca 0.18 2.53 0.29 0.00 0.05 0.00 0.00 54.13 57.18 1kfx s LEU 343 Cb -0.06 -3.56 1.47 0.00 -2.05 0.00 0.00 46.19 41.99 1kfx s LEU 343 CO 0.08 -0.93 1.90 0.71 -0.55 0.00 0.00 176.35 177.56 1kfx h THR 344 N 4.94 0.43 0.00 5.48 1.35 -1.95 -1.60 112.91 121.55 1kfx h THR 344 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1kfx h THR 344 Cb 1.21 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1kfx h THR 344 CO 0.94 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 175.40 1kfx n PRO 345 N -3.87 0.89 0.00 4.72 -0.04 -1.26 -3.97 135.00 131.47 1kfx n PRO 345 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1kfx n PRO 345 Cb 0.73 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1kfx n PRO 345 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1kfx n ASP 346 N -0.98 0.00 -4.58 3.54 8.00 -0.60 -3.45 116.55 118.47 1kfx n ASP 346 Ca 0.21 0.78 -0.35 0.00 0.71 0.00 0.00 54.79 56.14 1kfx n ASP 346 Cb 0.09 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 1kfx n ASP 346 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1kfx s THR 347 N -2.11 3.78 -1.81 -3.53 -4.23 -1.25 -4.75 115.64 101.75 1kfx s THR 347 Ca 0.00 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1kfx s THR 347 Cb 0.00 -4.81 0.00 0.00 1.34 0.00 0.00 72.50 69.03 1kfx s THR 347 CO 0.00 -1.45 0.44 -0.11 -0.54 0.00 0.00 174.62 172.97 1kfx n LEU 348 N 11.72 0.00 0.00 4.79 0.00 -1.22 -4.64 117.00 127.66 1kfx n LEU 348 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.46 1kfx n LEU 348 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 1kfx n LEU 348 CO 0.71 0.00 0.00 0.35 0.00 0.00 0.00 177.39 178.45 1kfx n THR 349 N -0.94 0.00 0.00 1.96 -2.24 -1.26 -5.04 114.28 106.76 1kfx n THR 349 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1kfx n THR 349 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1kfx n THR 349 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kfx n SER 350 N 0.00 0.00 -1.38 3.42 7.64 -1.26 -4.67 113.62 117.37 1kfx n SER 350 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 1kfx n SER 350 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1kfx n SER 350 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kfx n ASP 351 N 3.47 -4.84 -4.40 6.43 8.00 -1.26 -4.95 116.55 119.00 1kfx n ASP 351 Ca 0.00 0.27 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 1kfx n ASP 351 Cb 0.00 -3.80 -0.14 0.00 -0.02 0.00 0.00 41.12 37.16 1kfx n ASP 351 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kfx s THR 352 N -2.64 2.54 0.05 -3.53 2.01 -1.26 -5.00 115.64 107.80 1kfx s THR 352 Ca 0.00 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1kfx s THR 352 Cb 0.00 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1kfx s THR 352 CO 0.00 0.52 0.00 -1.22 -0.69 0.00 0.00 174.62 173.23 1kfx n TYR 353 N 2.17 -0.48 -2.24 4.92 4.01 -1.26 -4.87 117.16 119.41 1kfx n TYR 353 Ca -0.17 0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.41 1kfx n TYR 353 Cb 0.52 -1.48 -0.03 0.00 -0.31 0.00 0.00 39.34 38.04 1kfx n TYR 353 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1kfx s LYS 354 N -4.85 4.32 -0.17 -0.72 3.01 -0.20 -4.88 119.74 116.26 1kfx s LYS 354 Ca 0.00 1.97 -0.23 0.00 -1.01 0.00 0.00 55.97 56.70 1kfx s LYS 354 Cb 0.00 -3.43 -0.02 0.00 -1.01 0.00 0.00 37.83 33.37 1kfx s LYS 354 CO 0.00 -0.48 0.71 -1.59 0.51 0.00 0.00 175.35 174.50 1kfx s LYS 355 N 1.74 4.28 1.18 1.68 0.00 -1.26 -4.37 119.74 122.98 1kfx s LYS 355 Ca 0.63 0.79 -0.15 0.00 0.00 0.00 0.00 55.97 57.24 1kfx s LYS 355 Cb -0.33 -3.55 0.28 0.00 0.00 0.00 0.00 37.83 34.23 1kfx s LYS 355 CO 0.28 -0.21 1.04 -1.58 0.00 0.00 0.00 175.35 174.88 1kfx s TRP 356 N 1.79 1.09 0.19 1.78 0.52 -1.26 -5.01 118.94 118.04 1kfx s TRP 356 Ca 0.33 0.89 0.09 0.00 0.02 0.00 0.00 56.10 57.44 1kfx s TRP 356 Cb -0.16 -3.17 -0.04 0.00 -1.15 0.00 0.00 33.47 28.95 1kfx s TRP 356 CO 0.12 -3.83 -0.09 0.21 0.02 0.00 0.00 176.95 173.39 1kfx s LYS 357 N -4.85 2.09 0.01 4.98 2.47 -1.18 -4.78 119.74 118.47 1kfx s LYS 357 Ca 0.68 -1.27 -0.20 0.00 -1.56 0.00 0.00 55.97 53.62 1kfx s LYS 357 Cb -0.19 -2.17 0.04 0.00 -1.46 0.00 0.00 37.83 34.05 1kfx s LYS 357 CO 0.60 0.43 0.43 -1.17 0.16 0.00 0.00 175.35 175.81 1kfx s LEU 358 N -2.89 0.34 -0.28 5.43 2.96 -1.26 -1.87 118.68 121.11 1kfx s LEU 358 Ca 0.25 0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 54.16 1kfx s LEU 358 Cb -0.09 1.75 0.09 0.00 0.50 0.00 0.00 46.19 48.44 1kfx s LEU 358 CO 0.16 -0.59 0.77 0.28 -1.32 0.00 0.00 176.35 175.65 1kfx s THR 359 N -1.86 0.00 0.08 3.68 -1.32 -1.15 -4.97 115.64 110.11 1kfx s THR 359 Ca -0.09 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.43 1kfx s THR 359 Cb -0.02 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1kfx s THR 359 CO 0.02 0.00 -0.12 -1.59 -2.21 0.00 0.00 174.62 170.72 1kfx s LYS 360 N 1.41 0.83 0.15 7.08 -2.85 -1.26 -1.53 119.74 123.57 1kfx s LYS 360 Ca -0.08 -1.04 -0.01 0.00 -1.00 0.00 0.00 55.97 53.84 1kfx s LYS 360 Cb -0.05 -0.70 -0.04 0.00 -2.06 0.00 0.00 37.83 34.99 1kfx s LYS 360 CO -0.17 0.14 0.07 -1.64 0.10 0.00 0.00 175.35 173.85 1kfx s MET 361 N -2.19 1.00 0.17 1.78 -1.94 -0.86 -5.01 119.30 112.25 1kfx s MET 361 Ca 0.01 -1.49 0.10 0.00 -1.71 0.00 0.00 55.69 52.60 1kfx s MET 361 Cb -0.07 0.20 -0.04 0.00 2.01 0.00 0.00 34.83 36.93 1kfx s MET 361 CO 0.02 -0.28 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.08 1kfx s ASP 362 N -3.08 3.92 0.17 3.03 -0.00 -1.26 -1.87 116.67 117.58 1kfx s ASP 362 Ca 0.27 -0.67 -0.23 0.00 -0.00 0.00 0.00 52.55 51.92 1kfx s ASP 362 Cb 0.07 -0.54 0.06 0.00 -0.00 0.00 0.00 42.92 42.51 1kfx s ASP 362 CO 0.04 0.12 0.73 -0.83 -0.00 0.00 0.00 175.17 175.24 1kfx s GLY 363 N -2.64 -0.37 0.27 0.21 0.00 -1.02 -5.00 107.32 98.76 1kfx s GLY 363 Ca 0.22 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.22 1kfx s GLY 363 CO 0.12 0.08 0.15 -1.31 0.00 0.00 0.00 173.10 172.15 1kfx s ASN 364 N -2.79 1.13 -0.31 1.64 0.01 -1.26 -1.55 114.94 111.80 1kfx s ASN 364 Ca 0.06 -1.49 -0.02 0.00 -0.71 0.00 0.00 52.86 50.70 1kfx s ASN 364 Cb -0.03 0.35 0.12 0.00 0.41 0.00 0.00 41.25 42.10 1kfx s ASN 364 CO -0.04 -0.85 0.17 0.26 -1.51 0.00 0.00 177.10 175.13 1kfx s TRP 365 N -3.76 0.39 -0.22 2.20 0.51 -0.79 -4.69 118.94 112.57 1kfx s TRP 365 Ca 0.37 -1.08 -0.17 0.00 -2.12 0.00 0.00 56.10 53.10 1kfx s TRP 365 Cb 0.06 -0.87 -0.04 0.00 -0.81 0.00 0.00 33.47 31.82 1kfx s TRP 365 CO 0.16 -0.84 0.44 1.03 -0.51 0.00 0.00 176.95 177.23 1kfx s ARG 366 N 1.76 4.13 0.25 4.98 1.81 -1.26 -2.86 118.95 127.76 1kfx s ARG 366 Ca 0.12 0.23 -0.28 0.00 -1.72 0.00 0.00 55.73 54.09 1kfx s ARG 366 Cb -0.18 -3.58 -0.16 0.00 -0.45 0.00 0.00 34.95 30.58 1kfx s ARG 366 CO -0.24 -0.16 0.74 -2.13 -0.68 0.00 0.00 175.30 172.83 1kfx n ARG 367 N 4.89 0.63 -1.23 3.54 0.63 -1.26 -0.60 116.66 123.25 1kfx n ARG 367 Ca -0.07 0.22 -0.08 0.00 -0.92 0.00 0.00 57.85 57.00 1kfx n ARG 367 Cb 0.51 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 31.98 1kfx n ARG 367 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kfx n GLY 368 N 1.64 0.94 2.10 5.14 0.00 -1.26 -4.67 105.19 109.08 1kfx n GLY 368 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1kfx n GLY 368 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kfx n SER 369 N -0.22 -1.89 -0.38 1.61 2.88 -0.34 -3.88 113.62 111.40 1kfx n SER 369 Ca -0.08 0.48 0.04 0.00 -1.33 0.00 0.00 58.87 57.98 1kfx n SER 369 Cb 0.37 1.94 0.07 0.00 -0.75 0.00 0.00 64.21 65.83 1kfx n SER 369 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1kfx n THR 370 N -3.08 0.47 -2.62 2.46 -2.24 0.23 -4.83 114.28 104.67 1kfx n THR 370 Ca 0.00 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.62 1kfx n THR 370 Cb 0.00 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1kfx n THR 370 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfx n ALA 371 N 0.33 5.45 -0.35 6.98 0.00 -1.00 -3.96 120.51 127.95 1kfx n ALA 371 Ca 0.06 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 48.97 1kfx n ALA 371 Cb 0.28 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.09 1kfx n ALA 371 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 372 N 1.88 0.07 2.34 0.00 0.00 -1.26 -0.31 105.19 107.91 1kfx n GLY 372 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1kfx n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfx n GLY 373 N 2.09 -5.87 0.00 -0.02 0.00 -1.26 -3.37 105.19 96.77 1kfx n GLY 373 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1kfx n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx h ARG 375 N 0.00 0.87 -1.17 0.00 0.11 -1.94 -0.38 114.38 111.89 1kfx h ARG 375 Ca 0.00 -0.05 0.33 0.00 0.10 0.00 0.00 59.98 60.36 1kfx h ARG 375 Cb 0.00 -0.20 -0.08 0.00 1.11 0.00 0.00 29.97 30.80 1kfx h ARG 375 CO 0.00 0.58 0.79 -0.91 0.10 0.00 0.00 179.97 180.53 1kfx h ASN 376 N 0.90 0.25 -3.41 0.08 4.21 -1.96 -3.02 115.58 112.64 1kfx h ASN 376 Ca 0.52 0.06 -0.74 0.00 1.21 0.00 0.00 56.30 57.36 1kfx h ASN 376 Cb 0.65 0.03 -0.33 0.00 -1.12 0.00 0.00 38.32 37.55 1kfx h ASN 376 CO -0.30 0.01 0.12 -0.31 -1.29 0.00 0.00 177.43 175.65 1kfx s TYR 377 N -5.26 4.05 -2.00 1.19 1.51 -0.15 -4.86 117.35 111.83 1kfx s TYR 377 Ca -0.07 -2.92 0.07 0.00 -1.01 0.00 0.00 57.07 53.14 1kfx s TYR 377 Cb 0.25 -3.46 0.44 0.00 -0.11 0.00 0.00 41.96 39.08 1kfx s TYR 377 CO 0.81 -0.81 0.88 -0.35 -1.11 0.00 0.00 175.55 174.96 1kfx n PRO 378 N 2.44 0.46 -0.02 -1.71 -0.04 -1.14 -1.25 135.00 133.74 1kfx n PRO 378 Ca 0.23 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1kfx n PRO 378 Cb 0.38 -1.25 0.29 0.00 -0.04 0.00 0.00 33.50 32.88 1kfx n PRO 378 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1kfx n ASN 379 N -0.75 2.37 0.00 3.54 4.05 -1.26 -4.54 115.26 118.67 1kfx n ASN 379 Ca 0.06 -1.79 0.00 0.00 0.45 0.00 0.00 54.58 53.30 1kfx n ASN 379 Cb 0.03 -0.03 0.00 0.00 1.23 0.00 0.00 39.78 41.00 1kfx n ASN 379 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1kfx n THR 380 N 0.84 0.00 -0.30 -0.44 -2.24 -0.90 -4.94 114.28 106.29 1kfx n THR 380 Ca 0.17 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.20 1kfx n THR 380 Cb 0.49 0.00 0.47 0.00 -2.10 0.00 0.00 70.33 69.19 1kfx n THR 380 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kfx n PHE 381 N -0.96 0.95 1.45 4.78 7.35 -0.38 0.30 117.46 130.95 1kfx n PHE 381 Ca 0.00 1.08 0.12 0.00 -0.76 0.00 0.00 57.45 57.89 1kfx n PHE 381 Cb 0.00 -1.41 0.70 0.00 0.35 0.00 0.00 39.48 39.12 1kfx n PHE 381 CO 0.00 0.00 0.00 -2.67 -0.76 0.00 0.00 176.76 173.33 1kfx n TRP 382 N -5.12 0.00 0.74 -5.13 4.27 -1.26 -2.74 117.44 108.20 1kfx n TRP 382 Ca 0.31 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 54.04 1kfx n TRP 382 Cb 1.06 -0.07 0.13 0.00 -1.36 0.00 0.00 31.31 31.07 1kfx n TRP 382 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1kfx n MET 383 N -1.07 0.17 -0.23 -2.67 2.81 0.86 -4.77 117.12 112.22 1kfx n MET 383 Ca 0.17 0.02 -0.26 0.00 -1.81 0.00 0.00 57.70 55.82 1kfx n MET 383 Cb 0.11 -1.58 0.26 0.00 -0.71 0.00 0.00 33.22 31.30 1kfx n MET 383 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kfx n ASN 384 N -1.82 -3.90 -4.88 7.83 3.02 -1.11 -4.57 115.26 109.84 1kfx n ASN 384 Ca 0.04 -0.76 -0.30 0.00 -0.03 0.00 0.00 54.58 53.53 1kfx n ASN 384 Cb 0.40 -0.89 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1kfx n ASN 384 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1kfx s PRO 385 N -4.72 3.70 -0.05 3.52 0.02 -1.26 -5.05 135.00 131.15 1kfx s PRO 385 Ca 0.58 0.50 0.02 0.00 0.02 0.00 0.00 61.00 62.12 1kfx s PRO 385 Cb -0.10 -2.30 0.02 0.00 0.02 0.00 0.00 34.50 32.14 1kfx s PRO 385 CO 0.48 -0.22 -0.08 -0.65 -0.33 0.00 0.00 177.00 176.21 1kfx s GLN 386 N -4.39 1.14 0.05 5.54 -0.21 -1.24 -4.27 119.66 116.28 1kfx s GLN 386 Ca 0.52 -0.24 0.06 0.00 0.02 0.00 0.00 55.36 55.71 1kfx s GLN 386 Cb -0.10 -1.03 -0.02 0.00 1.00 0.00 0.00 33.01 32.85 1kfx s GLN 386 CO 0.40 -0.01 -0.17 0.71 -2.12 0.00 0.00 175.29 174.10 1kfx s TYR 387 N 0.69 1.49 -0.16 0.91 1.51 -1.20 0.36 117.35 120.95 1kfx s TYR 387 Ca -0.11 -0.37 -0.09 0.00 -1.01 0.00 0.00 57.07 55.48 1kfx s TYR 387 Cb -0.14 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 1kfx s TYR 387 CO 0.02 0.07 0.15 -1.17 -1.11 0.00 0.00 175.55 173.51 1kfx s LEU 388 N -1.24 4.28 -0.16 -1.29 2.96 -0.17 -3.00 118.68 120.06 1kfx s LEU 388 Ca 0.04 0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 54.30 1kfx s LEU 388 Cb -0.08 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.53 1kfx s LEU 388 CO 0.02 0.26 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.61 1kfx s ILE 389 N -0.16 1.18 -0.29 6.68 1.01 -1.05 0.17 121.20 128.75 1kfx s ILE 389 Ca 0.11 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1kfx s ILE 389 Cb -0.12 -1.32 0.05 0.00 0.01 0.00 0.00 42.46 41.08 1kfx s ILE 389 CO 0.01 0.17 -0.02 -0.75 0.00 0.00 0.00 174.94 174.34 1kfx s LYS 390 N 1.61 2.49 -0.12 2.79 2.20 -1.00 -1.98 119.74 125.73 1kfx s LYS 390 Ca 0.01 -1.22 -0.26 0.00 -0.36 0.00 0.00 55.97 54.15 1kfx s LYS 390 Cb -0.15 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1kfx s LYS 390 CO -0.08 -0.57 0.83 -0.51 -0.36 0.00 0.00 175.35 174.67 1kfx s LEU 391 N 1.25 4.24 0.00 5.43 1.43 -1.23 -3.24 118.68 126.57 1kfx s LEU 391 Ca -0.05 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 1kfx s LEU 391 Cb -0.19 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1kfx s LEU 391 CO -0.02 -0.32 0.00 -0.62 0.23 0.00 0.00 176.35 175.62 1kfx n GLU 392 N 4.70 0.00 -1.79 1.70 1.02 -1.26 -3.96 120.64 121.06 1kfx n GLU 392 Ca 0.04 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 1kfx n GLU 392 Cb 0.50 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.00 1kfx n GLU 392 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1kfx s GLU 393 N 0.29 2.21 0.00 3.49 -1.05 -1.26 -4.56 118.70 117.83 1kfx s GLU 393 Ca 0.00 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 1kfx s GLU 393 Cb 0.00 -1.96 0.00 0.00 -0.44 0.00 0.00 34.13 31.73 1kfx s GLU 393 CO 0.00 -1.47 0.00 -0.85 0.95 0.00 0.00 175.26 173.89 1kfx n GLU 394 N -3.28 1.89 -0.02 -4.83 0.28 -1.26 -4.38 120.64 109.04 1kfx n GLU 394 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.06 1kfx n GLU 394 Cb 0.59 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.46 1kfx n GLU 394 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1kfx n ASP 395 N -1.56 -1.31 -1.61 -1.84 10.43 -1.26 -4.89 116.55 114.51 1kfx n ASP 395 Ca 0.00 -0.38 -0.02 0.00 2.57 0.00 0.00 54.79 56.96 1kfx n ASP 395 Cb 0.00 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 42.93 1kfx n ASP 395 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1kfx n GLU 396 N -1.73 0.38 -4.34 -1.24 1.02 -1.26 -5.12 120.64 108.35 1kfx n GLU 396 Ca 0.00 -1.66 -0.18 0.00 -0.02 0.00 0.00 57.16 55.31 1kfx n GLU 396 Cb 0.02 0.08 -0.10 0.00 -0.02 0.00 0.00 31.44 31.42 1kfx n GLU 396 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kfx s THR 406 N -3.66 4.99 -0.05 0.00 -4.23 -1.26 0.10 115.64 111.54 1kfx s THR 406 Ca 0.36 0.87 -0.17 0.00 -1.18 0.00 0.00 61.69 61.57 1kfx s THR 406 Cb 0.07 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 70.21 1kfx s THR 406 CO 0.15 0.56 0.39 0.72 -0.54 0.00 0.00 174.62 175.90 1kfx s PHE 407 N -1.11 -0.32 -0.15 3.99 -0.12 0.62 -2.61 117.98 118.29 1kfx s PHE 407 Ca 0.25 0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 57.62 1kfx s PHE 407 Cb -0.17 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.34 1kfx s PHE 407 CO 0.14 -0.39 0.17 -1.17 -0.05 0.00 0.00 175.22 173.92 1kfx s LEU 408 N -0.99 4.30 -0.06 -1.99 1.98 1.35 -2.33 118.68 120.95 1kfx s LEU 408 Ca -0.10 0.40 -0.00 0.00 -2.89 0.00 0.00 54.13 51.54 1kfx s LEU 408 Cb -0.04 -2.14 0.03 0.00 0.66 0.00 0.00 46.19 44.69 1kfx s LEU 408 CO 0.04 0.27 -0.02 -0.69 -1.89 0.00 0.00 176.35 174.07 1kfx s VAL 409 N -0.27 0.43 0.04 1.68 1.01 -1.21 0.23 120.40 122.32 1kfx s VAL 409 Ca 0.13 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1kfx s VAL 409 Cb -0.12 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1kfx s VAL 409 CO 0.02 0.23 -0.12 -0.83 0.00 0.00 0.00 175.10 174.41 1kfx s GLY 410 N 1.41 0.70 -0.44 4.51 0.00 -1.13 -2.15 107.32 110.22 1kfx s GLY 410 Ca -0.03 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.90 1kfx s GLY 410 CO -0.03 -0.82 0.20 -2.27 0.00 0.00 0.00 173.10 170.19 1kfx s LEU 411 N -1.32 3.57 0.26 0.66 2.96 0.32 -2.15 118.68 122.97 1kfx s LEU 411 Ca -0.02 -2.58 -0.09 0.00 -0.22 0.00 0.00 54.13 51.22 1kfx s LEU 411 Cb -0.08 -1.33 -0.07 0.00 0.50 0.00 0.00 46.19 45.20 1kfx s LEU 411 CO 0.01 -0.29 0.57 -0.51 -1.32 0.00 0.00 176.35 174.82 1kfx s ILE 412 N 0.35 4.93 -0.22 6.68 1.10 -0.96 -1.51 121.20 131.57 1kfx s ILE 412 Ca 0.15 0.40 0.02 0.00 -0.51 0.00 0.00 60.65 60.72 1kfx s ILE 412 Cb -0.23 -3.65 0.04 0.00 0.15 0.00 0.00 42.46 38.76 1kfx s ILE 412 CO -0.04 -0.17 -0.15 0.00 -2.11 0.00 0.00 174.94 172.47 1kfx s GLN 413 N -3.08 2.56 0.85 3.50 -2.07 -1.26 -2.48 119.66 117.68 1kfx s GLN 413 Ca 0.47 -1.06 -0.16 0.00 -1.82 0.00 0.00 55.36 52.78 1kfx s GLN 413 Cb -0.11 -2.70 -0.09 0.00 -1.09 0.00 0.00 33.01 29.02 1kfx s GLN 413 CO 0.24 -0.39 -0.20 1.63 -1.32 0.00 0.00 175.29 175.25 1kfx n LYS 414 N 4.54 0.00 -0.57 9.60 5.02 -1.14 -4.84 118.16 130.77 1kfx n LYS 414 Ca -0.17 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.84 1kfx n LYS 414 Cb 0.46 -1.32 0.21 0.00 -0.02 0.00 0.00 35.03 34.36 1kfx n LYS 414 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1kfx n HIS 415 N -2.51 -0.74 -3.59 2.13 -0.00 -1.26 -4.77 115.22 104.49 1kfx n HIS 415 Ca 0.04 0.06 -0.06 0.00 -0.00 0.00 0.00 57.72 57.75 1kfx n HIS 415 Cb 0.53 -1.77 -0.08 0.00 -0.00 0.00 0.00 29.99 28.67 1kfx n HIS 415 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1kfx s ARG 416 N -4.29 0.39 0.00 1.57 0.52 -1.26 -4.84 118.95 111.04 1kfx s ARG 416 Ca 0.66 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 1kfx s ARG 416 Cb -0.23 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.61 1kfx s ARG 416 CO 0.64 -0.31 0.00 -2.13 0.02 0.00 0.00 175.30 173.52 1kfx n ARG 417 N 5.40 0.00 0.00 3.54 0.63 -1.26 -0.72 116.66 124.25 1kfx n ARG 417 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1kfx n ARG 417 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1kfx n ARG 417 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1kfx n ARG 418 N -3.32 0.00 -1.67 -0.14 3.00 -1.26 -4.57 116.66 108.70 1kfx n ARG 418 Ca 0.00 0.33 -0.57 0.00 -0.00 0.00 0.00 57.85 57.61 1kfx n ARG 418 Cb 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 32.46 31.83 1kfx n ARG 418 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1kfx n GLN 419 N -1.56 0.95 -0.00 -0.14 6.02 0.10 -4.95 117.38 117.80 1kfx n GLN 419 Ca 0.00 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.36 1kfx n GLN 419 Cb 0.00 -1.99 -0.04 0.00 1.02 0.00 0.00 30.24 29.24 1kfx n GLN 419 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1kfx n ARG 420 N 4.18 1.16 -4.30 -1.09 1.74 -1.26 -4.85 116.66 112.23 1kfx n ARG 420 Ca 0.24 -0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 1kfx n ARG 420 Cb 0.12 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.41 1kfx n ARG 420 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1kfx s LYS 421 N -2.17 1.19 0.77 5.56 2.20 -1.26 -4.61 119.74 121.42 1kfx s LYS 421 Ca -0.01 -1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 54.13 1kfx s LYS 421 Cb 0.03 -1.22 0.06 0.00 -1.51 0.00 0.00 37.83 35.19 1kfx s LYS 421 CO 0.20 0.25 1.18 -1.64 -0.36 0.00 0.00 175.35 174.98 1kfx s MET 422 N -2.67 1.97 0.00 4.03 -1.94 -0.63 -2.96 119.30 117.11 1kfx s MET 422 Ca 0.13 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 1kfx s MET 422 Cb -0.06 -1.83 0.00 0.00 2.01 0.00 0.00 34.83 34.95 1kfx s MET 422 CO 0.05 -1.94 0.00 0.41 -0.01 0.00 0.00 175.02 173.54 1kfx n GLY 423 N 0.15 0.96 3.57 -0.03 0.00 -1.26 -4.49 105.19 104.09 1kfx n GLY 423 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1kfx n GLY 423 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kfx s GLU 424 N 0.00 -0.34 -0.54 1.61 2.02 -1.16 -4.09 118.70 116.20 1kfx s GLU 424 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.68 1kfx s GLU 424 Cb 0.00 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.60 1kfx s GLU 424 CO 0.00 -3.29 0.00 -0.25 0.02 0.00 0.00 175.26 171.74 1kfx n ASP 425 N -4.59 -2.02 -4.84 -0.19 8.00 -1.26 -4.86 116.55 106.78 1kfx n ASP 425 Ca 0.04 0.27 -0.32 0.00 0.71 0.00 0.00 54.79 55.49 1kfx n ASP 425 Cb 0.56 -1.93 -0.05 0.00 -0.02 0.00 0.00 41.12 39.67 1kfx n ASP 425 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1kfx s MET 426 N -3.99 4.06 0.46 -1.24 1.75 -1.26 -4.81 119.30 114.26 1kfx s MET 426 Ca 0.00 0.98 -0.06 0.00 -1.25 0.00 0.00 55.69 55.36 1kfx s MET 426 Cb 0.00 -2.18 -0.04 0.00 2.84 0.00 0.00 34.83 35.45 1kfx s MET 426 CO 0.00 -0.14 0.77 -1.01 -0.65 0.00 0.00 175.02 173.99 1kfx s HIS 427 N -2.40 3.54 -1.19 4.11 3.76 -1.26 -4.78 115.29 117.08 1kfx s HIS 427 Ca 0.60 0.84 -0.14 0.00 -0.15 0.00 0.00 55.06 56.20 1kfx s HIS 427 Cb -0.10 -2.31 0.16 0.00 1.11 0.00 0.00 32.58 31.45 1kfx s HIS 427 CO 0.23 -0.22 1.42 0.99 -0.85 0.00 0.00 174.74 176.32 1kfx s THR 428 N -2.63 4.96 0.91 1.30 2.01 -1.25 -3.49 115.64 117.43 1kfx s THR 428 Ca 0.48 -2.50 -0.14 0.00 0.31 0.00 0.00 61.69 59.84 1kfx s THR 428 Cb -0.10 -4.91 0.17 0.00 0.01 0.00 0.00 72.50 67.66 1kfx s THR 428 CO 0.42 -1.63 1.26 0.27 -0.69 0.00 0.00 174.62 174.24 1kfx s ILE 429 N 1.82 2.02 -0.02 1.82 -0.00 -0.99 0.02 121.20 125.88 1kfx s ILE 429 Ca 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.01 1kfx s ILE 429 Cb -0.03 -2.96 0.00 0.00 -0.00 0.00 0.00 42.46 39.47 1kfx s ILE 429 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.55 1kfx n GLY 430 N -3.58 -1.14 3.63 6.27 0.00 -0.84 -2.40 105.19 107.13 1kfx n GLY 430 Ca 0.14 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.14 1kfx n GLY 430 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1kfx s PHE 431 N -2.34 -0.35 0.15 1.61 -0.12 -1.26 -2.98 117.98 112.69 1kfx s PHE 431 Ca 0.00 0.81 0.09 0.00 -0.05 0.00 0.00 56.93 57.78 1kfx s PHE 431 Cb 0.00 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1kfx s PHE 431 CO 0.00 -0.19 -0.13 0.20 -0.05 0.00 0.00 175.22 175.05 1kfx s GLY 432 N -0.08 1.73 -0.03 1.99 0.00 -1.22 -0.75 107.32 108.96 1kfx s GLY 432 Ca 0.04 -1.41 0.05 0.00 0.00 0.00 0.00 44.72 43.40 1kfx s GLY 432 CO -0.07 -1.41 -0.17 -1.50 0.00 0.00 0.00 173.10 169.95 1kfx s ILE 433 N -1.45 1.37 0.05 0.90 2.07 -1.25 0.13 121.20 123.03 1kfx s ILE 433 Ca 0.22 -0.71 0.09 0.00 -1.41 0.00 0.00 60.65 58.84 1kfx s ILE 433 Cb -0.10 -1.17 -0.03 0.00 0.13 0.00 0.00 42.46 41.30 1kfx s ILE 433 CO 0.13 0.39 -0.25 -0.31 -1.91 0.00 0.00 174.94 172.99 1kfx s TYR 434 N -0.15 2.22 -0.04 3.50 1.51 1.33 -3.89 117.35 121.82 1kfx s TYR 434 Ca 0.01 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1kfx s TYR 434 Cb -0.09 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1kfx s TYR 434 CO 0.01 0.13 1.36 -1.83 -1.11 0.00 0.00 175.55 174.11 1kfx s GLU 435 N -1.27 4.28 -0.59 -0.62 -1.05 -1.25 0.60 118.70 118.81 1kfx s GLU 435 Ca 0.11 1.87 -0.26 0.00 -0.15 0.00 0.00 54.97 56.55 1kfx s GLU 435 Cb -0.10 -3.64 0.04 0.00 -0.44 0.00 0.00 34.13 29.99 1kfx s GLU 435 CO 0.02 -0.59 1.05 0.08 0.95 0.00 0.00 175.26 176.77 1kfx s VAL 436 N 2.68 4.21 0.12 1.83 1.01 -1.08 -4.94 120.40 124.22 1kfx s VAL 436 Ca 0.61 0.44 -0.32 0.00 0.00 0.00 0.00 61.98 62.71 1kfx s VAL 436 Cb -0.29 -4.64 -0.11 0.00 0.00 0.00 0.00 36.38 31.34 1kfx s VAL 436 CO 0.24 -1.28 1.56 1.55 0.00 0.00 0.00 175.10 177.17 1kfx h PRO 437 N 9.47 -0.58 -0.06 2.72 0.13 -1.94 -3.41 132.00 138.33 1kfx h PRO 437 Ca -0.26 0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.74 1kfx h PRO 437 Cb 1.07 0.13 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 1kfx h PRO 437 CO 1.14 -0.39 -0.44 -0.85 -0.23 0.00 0.00 178.00 177.24 1kfx n GLU 438 N -5.45 0.94 0.00 0.86 0.00 -1.26 -5.18 120.64 110.55 1kfx n GLU 438 Ca -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 57.16 55.60 1kfx n GLU 438 Cb 0.38 0.16 0.00 0.00 0.00 0.00 0.00 31.44 31.98 1kfx n GLU 438 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1kfx n GLU 439 N -0.86 1.55 0.00 3.44 4.71 -1.26 -5.27 120.64 122.94 1kfx n GLU 439 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.99 1kfx n GLU 439 Cb 0.84 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.27 1kfx n GLU 439 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1kfx n THR 444 N 0.00 0.00 0.00 2.62 5.66 -1.26 -5.15 114.28 116.15 1kfx n THR 444 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kfx n THR 444 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1kfx n THR 444 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1kfx n ASN 445 N 0.00 0.00 -4.07 1.09 5.15 -1.26 -2.27 115.26 113.90 1kfx n ASN 445 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1kfx n ASN 445 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 1kfx n ASN 445 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1kfx s ILE 446 N -1.73 2.10 -0.39 -1.44 -1.09 -1.23 -4.15 121.20 113.26 1kfx s ILE 446 Ca 0.00 -1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 56.68 1kfx s ILE 446 Cb 0.00 -2.15 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1kfx s ILE 446 CO 0.00 0.09 1.72 -2.28 -1.23 0.00 0.00 174.94 173.24 1kfx s HIS 447 N 1.16 1.91 -0.29 3.97 5.65 -1.26 -4.28 115.29 122.16 1kfx s HIS 447 Ca -0.06 0.65 -0.44 0.00 0.25 0.00 0.00 55.06 55.47 1kfx s HIS 447 Cb -0.18 -4.16 -0.20 0.00 -1.18 0.00 0.00 32.58 26.86 1kfx s HIS 447 CO -0.07 -2.65 1.42 1.28 -0.65 0.00 0.00 174.74 174.07 1kfx n LEU 448 N 10.33 0.89 -4.91 8.88 4.77 -1.26 -4.94 117.00 130.76 1kfx n LEU 448 Ca 0.21 1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 57.08 1kfx n LEU 448 Cb 0.48 -0.92 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1kfx n LEU 448 CO 0.69 -1.19 0.73 -0.94 -1.33 0.00 0.00 177.39 175.35 1kfx s SER 449 N 1.90 4.78 0.36 -1.43 1.04 -1.26 -4.78 113.70 114.31 1kfx s SER 449 Ca 0.99 0.75 0.13 0.00 0.48 0.00 0.00 55.95 58.30 1kfx s SER 449 Cb -1.37 -1.35 0.95 0.00 0.10 0.00 0.00 66.02 64.35 1kfx s SER 449 CO 0.71 -1.70 1.79 0.50 0.98 0.00 0.00 173.24 175.52 1kfx h LYS 450 N -0.84 0.53 0.62 4.02 3.64 -1.92 -2.56 116.57 120.05 1kfx h LYS 450 Ca -0.45 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1kfx h LYS 450 Cb 1.31 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1kfx h LYS 450 CO 0.64 0.35 -0.50 -0.97 -2.27 0.00 0.00 179.45 176.70 1kfx h ASN 451 N 0.55 -1.34 -1.46 4.20 -1.24 -1.97 -0.89 115.58 113.42 1kfx h ASN 451 Ca 0.56 0.10 0.43 0.00 0.71 0.00 0.00 56.30 58.10 1kfx h ASN 451 Cb 1.19 0.42 -0.08 0.00 0.73 0.00 0.00 38.32 40.58 1kfx h ASN 451 CO -0.31 -0.70 1.03 0.15 -1.29 0.00 0.00 177.43 176.30 1kfx h PHE 452 N -1.09 0.15 0.00 0.67 3.57 -1.83 0.38 116.94 118.78 1kfx h PHE 452 Ca -0.08 0.01 -0.36 0.00 3.53 0.00 0.00 57.97 61.07 1kfx h PHE 452 Cb 0.92 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 1kfx h PHE 452 CO -0.20 -0.03 -2.31 1.19 -2.23 0.00 0.00 178.31 174.73 1kfx n PHE 453 N -4.22 0.11 0.30 0.41 3.01 -1.17 -3.03 117.46 112.86 1kfx n PHE 453 Ca 0.34 0.04 0.16 0.00 1.01 0.00 0.00 57.45 58.99 1kfx n PHE 453 Cb 1.51 -1.02 0.92 0.00 -0.01 0.00 0.00 39.48 40.88 1kfx n PHE 453 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1kfx h LEU 454 N 0.00 0.00 0.00 4.37 3.38 0.91 -3.38 115.31 120.59 1kfx h LEU 454 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1kfx h LEU 454 Cb 2.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.97 1kfx h LEU 454 CO 0.04 0.02 0.00 0.41 0.09 0.00 0.00 178.44 179.00 1kfx n THR 455 N -3.73 0.00 -0.59 0.22 -1.04 0.99 -4.93 114.28 105.20 1kfx n THR 455 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 1kfx n THR 455 Cb 0.11 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 1kfx n THR 455 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1kfx n ASN 456 N 0.00 0.08 0.08 8.00 4.13 -1.17 -4.84 115.26 121.54 1kfx n ASN 456 Ca 0.00 0.45 -0.03 0.00 1.68 0.00 0.00 54.58 56.68 1kfx n ASN 456 Cb 0.00 -0.35 -0.06 0.00 -1.54 0.00 0.00 39.78 37.83 1kfx n ASN 456 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1kfx h ARG 457 N 1.29 0.00 0.00 3.52 9.65 -1.90 -3.42 114.38 123.52 1kfx h ARG 457 Ca -0.19 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1kfx h ARG 457 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1kfx h ARG 457 CO 0.27 0.69 0.00 0.00 2.80 0.00 0.00 179.97 183.73 1kfx n ALA 458 N -2.32 0.00 0.00 2.80 0.00 -1.26 -5.02 120.51 114.71 1kfx n ALA 458 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1kfx n ALA 458 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1kfx n ALA 458 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1kfx n ARG 459 N 0.00 0.00 -0.79 0.00 0.00 -1.25 -3.78 116.66 110.83 1kfx n ARG 459 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1kfx n ARG 459 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1kfx n ARG 459 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1kfx n GLU 460 N 0.00 0.00 -4.75 -0.14 4.07 -1.26 -4.87 120.64 113.68 1kfx n GLU 460 Ca 0.00 0.36 -0.32 0.00 -0.06 0.00 0.00 57.16 57.14 1kfx n GLU 460 Cb 0.00 -0.43 -0.13 0.00 -0.06 0.00 0.00 31.44 30.82 1kfx n GLU 460 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1kfx s ARG 461 N -1.51 2.34 0.21 5.31 3.52 -1.26 -3.79 118.95 123.77 1kfx s ARG 461 Ca 0.00 -0.81 -0.18 0.00 -0.13 0.00 0.00 55.73 54.61 1kfx s ARG 461 Cb 0.00 -2.32 -0.12 0.00 -1.56 0.00 0.00 34.95 30.95 1kfx s ARG 461 CO 0.00 0.59 0.23 0.45 -0.81 0.00 0.00 175.30 175.76 1kfx n SER 462 N 1.92 -1.45 -2.90 -2.12 2.88 0.07 -4.68 113.62 107.34 1kfx n SER 462 Ca -0.16 0.71 -0.22 0.00 -1.33 0.00 0.00 58.87 57.87 1kfx n SER 462 Cb 0.52 -0.67 -0.05 0.00 -0.75 0.00 0.00 64.21 63.27 1kfx n SER 462 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1kfx n ASP 463 N 1.56 5.38 0.00 -3.46 9.92 -1.26 -4.81 116.55 123.88 1kfx n ASP 463 Ca 0.11 -2.33 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 1kfx n ASP 463 Cb 0.23 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1kfx n ASP 463 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1kfx n THR 464 N 3.61 0.00 -3.74 -3.53 -1.04 -1.26 -5.00 114.28 103.31 1kfx n THR 464 Ca 0.48 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 62.12 1kfx n THR 464 Cb 0.30 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.69 1kfx n THR 464 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1kfx s PHE 465 N -2.80 3.11 0.44 -1.42 0.40 -1.26 -4.69 117.98 111.75 1kfx s PHE 465 Ca 0.00 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 1kfx s PHE 465 Cb 0.00 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.27 1kfx s PHE 465 CO 0.00 -0.43 0.64 0.42 0.70 0.00 0.00 175.22 176.55 1kfx s ILE 466 N 1.58 3.91 -0.93 0.64 -1.09 -1.01 -4.89 121.20 119.41 1kfx s ILE 466 Ca 0.05 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1kfx s ILE 466 Cb -0.16 -3.43 0.33 0.00 -1.58 0.00 0.00 42.46 37.62 1kfx s ILE 466 CO 0.04 -0.28 1.69 -3.20 -1.23 0.00 0.00 174.94 171.96 1kfx n ASN 467 N -2.02 6.86 -3.50 3.58 2.85 -1.26 -2.33 115.26 119.44 1kfx n ASN 467 Ca 0.02 -3.70 -0.14 0.00 -0.11 0.00 0.00 54.58 50.64 1kfx n ASN 467 Cb 0.58 -1.05 -0.04 0.00 1.24 0.00 0.00 39.78 40.51 1kfx n ASN 467 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1kfx s LEU 468 N -4.17 -0.43 0.33 1.20 0.05 -1.23 -4.79 118.68 109.65 1kfx s LEU 468 Ca 0.42 0.26 -0.29 0.00 0.05 0.00 0.00 54.13 54.57 1kfx s LEU 468 Cb 0.23 2.42 -0.11 0.00 -2.05 0.00 0.00 46.19 46.68 1kfx s LEU 468 CO -0.15 -0.78 1.54 -1.14 -0.55 0.00 0.00 176.35 175.26 1kfx n ARG 469 N 0.25 2.68 -1.57 1.48 0.63 -1.26 -4.62 116.66 114.25 1kfx n ARG 469 Ca -0.18 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1kfx n ARG 469 Cb 0.61 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.82 1kfx n ARG 469 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1kfx n GLU 470 N 1.29 -3.61 -3.61 -0.14 2.13 -1.23 -4.89 120.64 110.59 1kfx n GLU 470 Ca 0.05 2.68 -0.16 0.00 0.66 0.00 0.00 57.16 60.39 1kfx n GLU 470 Cb 0.38 -3.15 -0.14 0.00 0.27 0.00 0.00 31.44 28.80 1kfx n GLU 470 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1kfx s VAL 471 N -3.22 -0.35 0.26 6.31 1.01 -0.57 -4.86 120.40 118.98 1kfx s VAL 471 Ca 0.00 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1kfx s VAL 471 Cb 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1kfx s VAL 471 CO 0.00 0.04 -0.08 -1.48 0.00 0.00 0.00 175.10 173.57 1kfx s LEU 472 N 2.36 2.50 0.08 3.92 -0.00 -1.26 0.12 118.68 126.41 1kfx s LEU 472 Ca 0.03 -1.14 -0.09 0.00 -0.00 0.00 0.00 54.13 52.93 1kfx s LEU 472 Cb -0.13 -0.67 0.00 0.00 -0.00 0.00 0.00 46.19 45.40 1kfx s LEU 472 CO -0.09 -0.28 0.21 0.21 -0.00 0.00 0.00 176.35 176.40 1kfx s ASN 473 N -3.42 0.08 -0.21 1.48 2.47 -0.91 -4.95 114.94 109.47 1kfx s ASN 473 Ca 0.28 -0.57 -0.06 0.00 0.42 0.00 0.00 52.86 52.93 1kfx s ASN 473 Cb 0.02 0.34 -0.02 0.00 -1.45 0.00 0.00 41.25 40.14 1kfx s ASN 473 CO 0.11 -0.71 0.02 -0.60 -3.72 0.00 0.00 177.10 172.20 1kfx s ARG 474 N -3.61 3.62 0.18 0.43 3.52 -1.26 -3.34 118.95 118.49 1kfx s ARG 474 Ca 0.03 -0.51 0.08 0.00 -0.13 0.00 0.00 55.73 55.20 1kfx s ARG 474 Cb 0.04 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1kfx s ARG 474 CO -0.10 -0.05 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.12 1kfx s PHE 475 N 1.18 1.77 -0.14 5.12 0.40 -0.98 -5.03 117.98 120.31 1kfx s PHE 475 Ca 0.03 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.81 1kfx s PHE 475 Cb -0.14 -0.85 0.07 0.00 0.51 0.00 0.00 43.02 42.60 1kfx s PHE 475 CO 0.02 0.35 0.25 0.15 0.70 0.00 0.00 175.22 176.69 1kfx s LYS 476 N -3.16 0.15 0.06 0.44 3.01 -1.26 -0.28 119.74 118.70 1kfx s LYS 476 Ca 0.19 0.66 -0.06 0.00 -1.01 0.00 0.00 55.97 55.75 1kfx s LYS 476 Cb -0.04 -0.20 -0.02 0.00 -1.01 0.00 0.00 37.83 36.57 1kfx s LYS 476 CO 0.07 -0.34 0.10 -0.51 0.51 0.00 0.00 175.35 175.18 1kfx s LEU 477 N 2.40 1.84 -0.73 3.17 1.43 0.29 -4.90 118.68 122.18 1kfx s LEU 477 Ca 0.02 -0.71 -0.26 0.00 -1.03 0.00 0.00 54.13 52.16 1kfx s LEU 477 Cb -0.13 0.67 -0.05 0.00 0.03 0.00 0.00 46.19 46.71 1kfx s LEU 477 CO -0.09 -0.62 2.02 -2.16 0.23 0.00 0.00 176.35 175.73 1kfx s PRO 478 N -3.46 2.42 0.00 1.29 0.04 -1.26 0.50 135.00 134.53 1kfx s PRO 478 Ca 0.02 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1kfx s PRO 478 Cb 0.04 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.87 1kfx s PRO 478 CO -0.09 -3.24 0.00 -2.30 0.04 0.00 0.00 177.00 171.42 1kfx n PRO 479 N 9.00 0.00 -4.02 0.56 -0.02 -1.26 -4.79 135.00 134.47 1kfx n PRO 479 Ca 0.33 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.56 1kfx n PRO 479 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 1kfx n PRO 479 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1kfx s GLY 480 N 0.00 2.34 -0.12 -1.23 0.00 -1.25 -4.67 107.32 102.38 1kfx s GLY 480 Ca 0.00 -1.89 -0.26 0.00 0.00 0.00 0.00 44.72 42.57 1kfx s GLY 480 CO 0.00 -1.89 0.86 -1.83 0.00 0.00 0.00 173.10 170.24 1kfx s GLU 481 N -4.00 4.38 -0.01 2.90 -1.05 -1.26 -3.50 118.70 116.16 1kfx s GLU 481 Ca 0.40 1.11 0.08 0.00 -0.15 0.00 0.00 54.97 56.41 1kfx s GLU 481 Cb 0.02 -3.53 -0.02 0.00 -0.44 0.00 0.00 34.13 30.16 1kfx s GLU 481 CO 0.23 -0.22 -0.26 0.71 0.95 0.00 0.00 175.26 176.67 1kfx s TYR 482 N 1.73 2.28 0.01 4.83 2.02 -0.84 -2.64 117.35 124.74 1kfx s TYR 482 Ca 0.42 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.71 1kfx s TYR 482 Cb -0.18 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1kfx s TYR 482 CO 0.16 -0.01 0.01 0.42 -1.57 0.00 0.00 175.55 174.56 1kfx s ILE 483 N -0.63 4.18 -0.00 2.71 -1.09 0.20 -2.54 121.20 124.03 1kfx s ILE 483 Ca 0.10 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 1kfx s ILE 483 Cb -0.10 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1kfx s ILE 483 CO -0.01 0.34 -0.07 -1.48 -1.23 0.00 0.00 174.94 172.49 1kfx s LEU 484 N -1.67 2.02 -0.51 2.97 2.34 -1.16 0.40 118.68 123.07 1kfx s LEU 484 Ca 0.21 -0.14 0.03 0.00 0.06 0.00 0.00 54.13 54.28 1kfx s LEU 484 Cb -0.12 -0.37 0.13 0.00 -0.56 0.00 0.00 46.19 45.27 1kfx s LEU 484 CO 0.12 0.09 0.26 -0.69 -1.06 0.00 0.00 176.35 175.06 1kfx s VAL 485 N -0.19 2.77 0.72 1.48 1.01 0.34 -3.22 120.40 123.31 1kfx s VAL 485 Ca 0.03 -3.08 -0.15 0.00 0.00 0.00 0.00 61.98 58.78 1kfx s VAL 485 Cb -0.03 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.48 1kfx s VAL 485 CO -0.00 -0.78 1.18 -2.16 0.00 0.00 0.00 175.10 173.34 1kfx s PRO 486 N -0.04 2.22 0.00 2.72 0.04 -1.26 -3.40 135.00 135.28 1kfx s PRO 486 Ca 0.16 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1kfx s PRO 486 Cb -0.24 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1kfx s PRO 486 CO -0.02 -1.75 0.00 -1.13 0.04 0.00 0.00 177.00 174.14 1kfx n SER 487 N -2.74 0.00 -3.55 6.66 3.41 -1.16 -4.45 113.62 111.79 1kfx n SER 487 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1kfx n SER 487 Cb 0.51 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1kfx n SER 487 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1kfx n THR 488 N -0.30 0.00 0.00 6.66 -2.24 -1.26 -1.99 114.28 115.15 1kfx n THR 488 Ca 0.00 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1kfx n THR 488 Cb 0.00 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 1kfx n THR 488 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1kfx n PHE 489 N -2.18 0.00 -0.00 4.78 7.35 0.10 -3.03 117.46 124.49 1kfx n PHE 489 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1kfx n PHE 489 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 1kfx n PHE 489 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1kfx n GLU 490 N -0.00 0.76 -1.91 -4.13 1.02 -1.26 -3.49 120.64 111.62 1kfx n GLU 490 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1kfx n GLU 490 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1kfx n GLU 490 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1kfx n PRO 491 N -0.16 1.50 -4.02 3.49 -0.04 -1.22 -4.25 135.00 130.31 1kfx n PRO 491 Ca 0.00 -0.43 -0.28 0.00 -0.04 0.00 0.00 63.50 62.75 1kfx n PRO 491 Cb 0.00 0.06 -0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1kfx n PRO 491 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kfx n ASN 492 N -1.76 -0.63 -4.04 3.54 5.03 0.58 -4.94 115.26 113.04 1kfx n ASN 492 Ca -0.01 -1.08 -0.33 0.00 0.87 0.00 0.00 54.58 54.03 1kfx n ASN 492 Cb 0.08 -2.69 -0.13 0.00 -1.02 0.00 0.00 39.78 36.02 1kfx n ASN 492 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1kfx s LYS 493 N -6.74 1.84 -0.03 3.52 -0.14 -1.26 -4.78 119.74 112.15 1kfx s LYS 493 Ca 0.07 -2.10 -0.34 0.00 -1.36 0.00 0.00 55.97 52.24 1kfx s LYS 493 Cb -0.03 -3.39 -0.12 0.00 -1.68 0.00 0.00 37.83 32.61 1kfx s LYS 493 CO 0.92 -1.04 1.81 -0.25 -0.76 0.00 0.00 175.35 176.02 1kfx n ASP 494 N 4.01 3.34 0.00 2.83 8.00 -1.24 -4.72 116.55 128.77 1kfx n ASP 494 Ca 0.03 1.00 0.00 0.00 0.71 0.00 0.00 54.79 56.53 1kfx n ASP 494 Cb 0.39 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1kfx n ASP 494 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kfx n GLY 495 N 4.16 1.12 3.62 0.44 0.00 -1.13 -5.03 105.19 108.36 1kfx n GLY 495 Ca 0.21 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 1kfx n GLY 495 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kfx s ASP 496 N 0.00 3.64 0.30 1.61 1.01 -1.26 -1.88 116.67 120.09 1kfx s ASP 496 Ca 0.00 -1.44 -0.19 0.00 0.71 0.00 0.00 52.55 51.63 1kfx s ASP 496 Cb 0.00 -0.13 0.05 0.00 1.01 0.00 0.00 42.92 43.85 1kfx s ASP 496 CO 0.00 -0.57 0.83 0.72 0.21 0.00 0.00 175.17 176.35 1kfx s PHE 497 N -2.86 0.00 -0.06 4.23 -0.12 -0.60 -2.87 117.98 115.71 1kfx s PHE 497 Ca 0.29 -0.55 -0.05 0.00 -0.05 0.00 0.00 56.93 56.57 1kfx s PHE 497 Cb 0.08 0.77 0.02 0.00 -0.63 0.00 0.00 43.02 43.25 1kfx s PHE 497 CO 0.14 -1.31 0.15 0.00 -0.05 0.00 0.00 175.22 174.15 1kfx s ILE 499 N 0.15 2.16 0.41 0.00 1.01 -0.78 -2.25 121.20 121.90 1kfx s ILE 499 Ca -0.01 -1.68 0.08 0.00 0.00 0.00 0.00 60.65 59.04 1kfx s ILE 499 Cb -0.02 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.16 1kfx s ILE 499 CO -0.00 -0.07 0.51 -0.13 0.00 0.00 0.00 174.94 175.25 1kfx s ARG 500 N 1.09 2.77 -0.25 2.79 0.52 -0.92 -2.03 118.95 122.92 1kfx s ARG 500 Ca -0.08 -1.30 -0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1kfx s ARG 500 Cb -0.20 -2.66 0.14 0.00 0.52 0.00 0.00 34.95 32.75 1kfx s ARG 500 CO -0.05 -0.23 0.38 0.08 0.02 0.00 0.00 175.30 175.50 1kfx s VAL 501 N -2.37 -0.60 -0.41 3.52 1.01 -0.58 -2.86 120.40 118.11 1kfx s VAL 501 Ca 0.52 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1kfx s VAL 501 Cb -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1kfx s VAL 501 CO 0.31 -0.17 0.41 -0.36 0.00 0.00 0.00 175.10 175.30 1kfx s PHE 502 N 2.54 3.18 0.00 5.22 0.40 0.14 -2.94 117.98 126.52 1kfx s PHE 502 Ca 0.12 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1kfx s PHE 502 Cb -0.15 -2.83 0.00 0.00 0.51 0.00 0.00 43.02 40.55 1kfx s PHE 502 CO -0.19 -0.64 0.00 -1.13 0.70 0.00 0.00 175.22 173.95 1kfx n SER 503 N 5.52 0.43 -0.05 1.36 3.41 -0.78 0.41 113.62 123.92 1kfx n SER 503 Ca -0.08 -0.23 -0.09 0.00 -0.26 0.00 0.00 58.87 58.20 1kfx n SER 503 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 1kfx n SER 503 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kfx n GLU 504 N -0.18 0.20 -4.33 4.33 -0.58 -1.07 -3.11 120.64 115.89 1kfx n GLU 504 Ca 0.00 0.08 -0.22 0.00 -0.42 0.00 0.00 57.16 56.60 1kfx n GLU 504 Cb 0.00 -0.89 -0.11 0.00 -0.57 0.00 0.00 31.44 29.87 1kfx n GLU 504 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1kfx s LYS 505 N -2.17 1.26 0.01 3.49 3.01 -1.26 -4.57 119.74 119.51 1kfx s LYS 505 Ca -0.13 -1.39 -0.03 0.00 -1.01 0.00 0.00 55.97 53.41 1kfx s LYS 505 Cb 0.05 -1.35 -0.02 0.00 -1.01 0.00 0.00 37.83 35.50 1kfx s LYS 505 CO 0.17 0.28 0.08 1.17 0.51 0.00 0.00 175.35 177.55 1kfx n LYS 506 N 0.37 0.00 -3.90 1.68 3.00 -1.26 -4.83 118.16 113.22 1kfx n LYS 506 Ca -0.14 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.03 1kfx n LYS 506 Cb 0.57 -0.12 -0.15 0.00 0.00 0.00 0.00 35.03 35.33 1kfx n LYS 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kfx s ALA 507 N -0.05 0.13 -0.66 3.14 0.00 -1.26 -4.05 121.76 119.01 1kfx s ALA 507 Ca 0.07 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 1kfx s ALA 507 Cb -0.10 -0.13 0.17 0.00 0.00 0.00 0.00 23.12 23.05 1kfx s ALA 507 CO 0.05 -0.02 0.58 -0.51 0.00 0.00 0.00 175.76 175.86 1kfx s ASP 508 N 0.42 6.27 -0.31 0.00 1.01 -1.20 -4.88 116.67 117.98 1kfx s ASP 508 Ca -0.04 -2.29 -0.19 0.00 0.71 0.00 0.00 52.55 50.74 1kfx s ASP 508 Cb -0.06 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.71 1kfx s ASP 508 CO -0.01 -0.67 0.58 -0.47 0.21 0.00 0.00 175.17 174.81 1kfx s TYR 509 N 0.80 3.21 0.00 4.23 6.04 -1.25 -2.38 117.35 128.00 1kfx s TYR 509 Ca 0.11 0.50 0.00 0.00 0.04 0.00 0.00 57.07 57.72 1kfx s TYR 509 Cb -0.20 -2.93 0.00 0.00 -1.04 0.00 0.00 41.96 37.79 1kfx s TYR 509 CO -0.03 -0.46 0.00 1.04 -1.54 0.00 0.00 175.55 174.56 1kfx n GLN 510 N 5.79 2.28 -3.83 4.97 6.02 0.46 -4.94 117.38 128.13 1kfx n GLN 510 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 1kfx n GLN 510 Cb 0.49 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.61 1kfx n GLN 510 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kfx s ALA 511 N -2.00 -0.04 -0.55 -1.58 0.00 -1.26 -1.00 121.76 115.33 1kfx s ALA 511 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.87 1kfx s ALA 511 Cb 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.04 1kfx s ALA 511 CO 0.00 -0.04 1.01 0.08 0.00 0.00 0.00 175.76 176.81 1kfx s VAL 512 N 0.33 4.29 0.11 0.00 1.01 1.13 -4.73 120.40 122.54 1kfx s VAL 512 Ca -0.03 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1kfx s VAL 512 Cb -0.04 -4.58 0.08 0.00 0.00 0.00 0.00 36.38 31.84 1kfx s VAL 512 CO -0.01 -1.14 1.06 -0.62 0.00 0.00 0.00 175.10 174.39 1kfx s ASP 513 N 2.80 -0.13 0.48 3.32 3.68 -0.96 -3.70 116.67 122.17 1kfx s ASP 513 Ca 0.35 -0.35 0.00 0.00 2.13 0.00 0.00 52.55 54.68 1kfx s ASP 513 Cb -0.11 0.39 0.00 0.00 -1.45 0.00 0.00 42.92 41.76 1kfx s ASP 513 CO 0.22 -0.73 0.00 0.47 0.13 0.00 0.00 175.17 175.26 1kfx n ASP 514 N -0.54 0.00 -4.17 -0.34 8.00 -1.26 -3.57 116.55 114.66 1kfx n ASP 514 Ca -0.06 -0.88 -0.13 0.00 0.71 0.00 0.00 54.79 54.42 1kfx n ASP 514 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 1kfx n ASP 514 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1kfx s GLU 515 N -2.09 0.85 -0.15 -1.24 2.02 -1.26 -4.16 118.70 112.67 1kfx s GLU 515 Ca 0.00 -1.23 -0.35 0.00 0.02 0.00 0.00 54.97 53.41 1kfx s GLU 515 Cb 0.00 -0.41 -0.12 0.00 0.10 0.00 0.00 34.13 33.70 1kfx s GLU 515 CO 0.00 0.04 1.89 -0.89 0.02 0.00 0.00 175.26 176.33 1kfx n ILE 516 N 0.32 0.50 -3.45 -1.63 -0.00 -1.25 -4.00 119.36 109.86 1kfx n ILE 516 Ca -0.14 -0.12 -0.18 0.00 -0.00 0.00 0.00 62.75 62.31 1kfx n ILE 516 Cb 0.59 -1.77 -0.11 0.00 -0.00 0.00 0.00 39.64 38.35 1kfx n ILE 516 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1kfx s GLU 517 N 4.24 0.25 -0.09 0.38 2.12 0.88 -4.99 118.70 121.49 1kfx s GLU 517 Ca 0.95 0.04 0.01 0.00 0.36 0.00 0.00 54.97 56.34 1kfx s GLU 517 Cb -0.76 -0.95 0.02 0.00 0.26 0.00 0.00 34.13 32.70 1kfx s GLU 517 CO 0.54 -0.82 -0.11 0.00 -0.54 0.00 0.00 175.26 174.32 1kfx s ALA 518 N 2.34 1.36 -0.34 6.30 0.00 -1.26 -0.89 121.76 129.27 1kfx s ALA 518 Ca 0.08 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1kfx s ALA 518 Cb -0.15 -0.74 0.15 0.00 0.00 0.00 0.00 23.12 22.38 1kfx s ALA 518 CO -0.22 -0.11 0.36 0.54 0.00 0.00 0.00 175.76 176.33 1kfx s ASN 519 N 1.09 1.21 0.74 0.00 2.20 -1.14 -5.07 114.94 113.97 1kfx s ASN 519 Ca -0.06 -1.25 -0.04 0.00 -0.94 0.00 0.00 52.86 50.57 1kfx s ASN 519 Cb -0.14 0.61 0.12 0.00 -2.00 0.00 0.00 41.25 39.83 1kfx s ASN 519 CO -0.02 -0.30 1.03 -0.76 -2.94 0.00 0.00 177.10 174.11 1kfx s LEU 520 N 1.78 2.94 -0.17 3.54 2.01 -1.26 -4.86 118.68 122.67 1kfx s LEU 520 Ca 0.14 -0.12 -0.29 0.00 0.01 0.00 0.00 54.13 53.87 1kfx s LEU 520 Cb -0.15 -2.27 -0.00 0.00 0.01 0.00 0.00 46.19 43.78 1kfx s LEU 520 CO -0.14 -1.89 1.06 -1.61 1.01 0.00 0.00 176.35 174.77 1kfx s GLU 521 N -5.24 4.33 -0.76 1.70 2.02 -1.26 -4.97 118.70 114.52 1kfx s GLU 521 Ca 0.66 1.42 -0.11 0.00 0.02 0.00 0.00 54.97 56.96 1kfx s GLU 521 Cb -0.06 -3.61 0.20 0.00 0.10 0.00 0.00 34.13 30.76 1kfx s GLU 521 CO 0.45 -0.50 0.66 -2.00 0.02 0.00 0.00 175.26 173.89 1kfx s GLU 522 N 2.70 3.27 0.47 1.61 2.56 -1.26 -5.06 118.70 122.98 1kfx s GLU 522 Ca 0.47 -2.47 -0.22 0.00 0.00 0.00 0.00 54.97 52.76 1kfx s GLU 522 Cb -0.17 -4.21 -0.08 0.00 2.00 0.00 0.00 34.13 31.67 1kfx s GLU 522 CO 0.12 -1.25 1.09 -0.06 -0.56 0.00 0.00 175.26 174.60 1kfx s PHE 523 N 0.12 2.98 -0.23 5.30 0.08 -1.26 -4.98 117.98 120.00 1kfx s PHE 523 Ca 0.17 1.58 0.14 0.00 0.12 0.00 0.00 56.93 58.94 1kfx s PHE 523 Cb -0.14 -3.20 0.46 0.00 -0.57 0.00 0.00 43.02 39.57 1kfx s PHE 523 CO -0.07 -1.07 1.18 -3.47 -0.10 0.00 0.00 175.22 171.69 1kfx n ASP 524 N -0.66 2.94 -4.75 1.36 -0.08 -1.26 -5.06 116.55 109.04 1kfx n ASP 524 Ca 0.08 -3.20 -0.41 0.00 -1.51 0.00 0.00 54.79 49.75 1kfx n ASP 524 Cb 0.50 -0.41 -0.02 0.00 2.34 0.00 0.00 41.12 43.53 1kfx n ASP 524 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1kfx s ILE 525 N -3.53 2.43 -0.98 5.18 -0.00 -1.26 -4.93 121.20 118.11 1kfx s ILE 525 Ca 0.41 0.36 -0.05 0.00 -0.00 0.00 0.00 60.65 61.37 1kfx s ILE 525 Cb 0.38 -3.23 0.24 0.00 -0.00 0.00 0.00 42.46 39.85 1kfx s ILE 525 CO -0.03 0.06 0.91 -0.44 -0.00 0.00 0.00 174.94 175.44 1kfx s SER 526 N 0.41 6.54 -1.34 4.36 0.01 -1.26 -4.65 113.70 117.78 1kfx s SER 526 Ca 0.61 -3.65 0.00 0.00 1.31 0.00 0.00 55.95 54.22 1kfx s SER 526 Cb -0.44 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1kfx s SER 526 CO 0.45 -0.23 0.00 1.21 0.41 0.00 0.00 173.24 175.08 1kfx n GLU 527 N 2.51 -1.58 0.00 12.44 0.00 -1.26 -4.84 120.64 127.91 1kfx n GLU 527 Ca 0.22 0.88 0.00 0.00 0.00 0.00 0.00 57.16 58.26 1kfx n GLU 527 Cb 0.38 -5.18 0.00 0.00 0.00 0.00 0.00 31.44 26.64 1kfx n GLU 527 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1kfx n ASP 528 N -0.89 0.00 -3.29 4.31 4.64 -1.26 -4.88 116.55 115.18 1kfx n ASP 528 Ca -0.13 0.00 -0.20 0.00 -1.38 0.00 0.00 54.79 53.08 1kfx n ASP 528 Cb 0.55 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.59 1kfx n ASP 528 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1kfx n ASP 529 N 0.00 -1.28 0.14 1.67 9.92 -1.26 -4.78 116.55 120.96 1kfx n ASP 529 Ca 0.00 -0.37 0.12 0.00 -0.53 0.00 0.00 54.79 54.02 1kfx n ASP 529 Cb 0.00 -1.17 0.21 0.00 -0.64 0.00 0.00 41.12 39.51 1kfx n ASP 529 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1kfx h ILE 530 N -0.40 0.00 0.00 0.53 3.07 -2.00 -3.47 117.51 115.24 1kfx h ILE 530 Ca -0.28 -0.76 0.00 0.00 1.55 0.00 0.00 64.86 65.37 1kfx h ILE 530 Cb 1.07 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 39.22 1kfx h ILE 530 CO 0.42 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.99 1kfx n ASP 531 N -2.61 0.00 0.00 2.16 8.00 -1.26 -3.76 116.55 119.08 1kfx n ASP 531 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1kfx n ASP 531 Cb 0.49 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 1kfx n ASP 531 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1kfx n ASP 532 N 0.00 0.00 -0.32 -2.24 -0.08 -1.26 -4.24 116.55 108.41 1kfx n ASP 532 Ca 0.00 0.00 0.26 0.00 -1.51 0.00 0.00 54.79 53.54 1kfx n ASP 532 Cb 0.00 0.00 0.57 0.00 2.34 0.00 0.00 41.12 44.03 1kfx n ASP 532 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1kfx h GLY 533 N 0.00 0.91 0.34 0.27 0.00 -2.00 1.50 103.07 104.10 1kfx h GLY 533 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 1kfx h GLY 533 CO 0.00 -0.11 -1.08 -2.08 0.00 0.00 0.00 176.54 173.28 1kfx h VAL 534 N 0.29 1.18 -0.22 4.60 2.07 -1.74 -3.10 116.25 119.33 1kfx h VAL 534 Ca 0.58 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.79 1kfx h VAL 534 Cb 1.67 2.76 -0.07 0.00 -1.52 0.00 0.00 31.29 34.14 1kfx h VAL 534 CO -0.23 0.60 -0.51 -0.09 0.02 0.00 0.00 177.57 177.36 1kfx h ARG 535 N -0.59 -0.48 -0.72 1.57 1.12 -0.78 0.21 114.38 114.71 1kfx h ARG 535 Ca -0.25 0.03 0.10 0.00 -1.11 0.00 0.00 59.98 58.76 1kfx h ARG 535 Cb 1.51 0.11 -0.12 0.00 -0.01 0.00 0.00 29.97 31.46 1kfx h ARG 535 CO -0.01 -0.32 -0.45 -0.09 -3.11 0.00 0.00 179.97 176.00 1kfx h ARG 536 N -0.50 -0.15 -2.13 0.20 2.43 0.18 0.09 114.38 114.50 1kfx h ARG 536 Ca 0.06 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1kfx h ARG 536 Cb 0.65 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1kfx h ARG 536 CO -0.48 -0.10 -0.04 1.28 -1.51 0.00 0.00 179.97 179.12 1kfx n LEU 537 N -5.40 3.61 0.00 3.80 4.32 0.73 -4.34 117.00 119.72 1kfx n LEU 537 Ca 0.03 -1.93 0.00 0.00 -0.02 0.00 0.00 56.01 54.09 1kfx n LEU 537 Cb 0.35 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1kfx n LEU 537 CO -0.06 0.82 0.00 0.33 -1.22 0.00 0.00 177.39 177.26 1kfx n PHE 538 N 2.08 0.00 -0.27 -1.77 7.35 0.02 -4.86 117.46 120.01 1kfx n PHE 538 Ca 0.12 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 57.05 1kfx n PHE 538 Cb 0.46 0.00 0.40 0.00 0.35 0.00 0.00 39.48 40.69 1kfx n PHE 538 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1kfx n ALA 539 N -3.00 0.79 0.55 3.13 0.00 -1.26 0.16 120.51 120.88 1kfx n ALA 539 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 53.44 54.04 1kfx n ALA 539 Cb 0.00 -0.64 0.27 0.00 0.00 0.00 0.00 19.45 19.07 1kfx n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfx n GLN 540 N -4.01 0.25 -0.08 0.00 -0.00 -1.26 -1.97 117.38 110.30 1kfx n GLN 540 Ca 0.24 0.06 -0.11 0.00 -0.00 0.00 0.00 57.00 57.19 1kfx n GLN 540 Cb 0.92 -1.50 -0.15 0.00 -0.00 0.00 0.00 30.24 29.51 1kfx n GLN 540 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1kfx n LEU 541 N -1.08 0.74 0.00 2.61 4.77 0.43 -4.79 117.00 119.68 1kfx n LEU 541 Ca 0.06 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1kfx n LEU 541 Cb 0.04 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1kfx n LEU 541 CO 0.06 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 176.68 1kfx n ALA 542 N -2.80 0.00 0.00 -1.18 0.00 -0.83 -5.02 120.51 110.68 1kfx n ALA 542 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1kfx n ALA 542 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1kfx n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 543 N 2.56 0.27 0.00 0.00 0.00 -1.16 -4.92 105.19 101.93 1kfx n GLY 543 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1kfx n GLY 543 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1kfx n GLU 544 N 0.00 0.00 -0.03 1.61 1.02 -1.26 -3.40 120.64 118.59 1kfx n GLU 544 Ca 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 57.16 57.37 1kfx n GLU 544 Cb 0.00 -0.37 0.57 0.00 -0.02 0.00 0.00 31.44 31.62 1kfx n GLU 544 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1kfx h ASP 545 N 0.00 0.00 -3.16 1.62 -0.00 -1.99 -3.44 116.42 109.44 1kfx h ASP 545 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.03 56.70 1kfx h ASP 545 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.35 1kfx h ASP 545 CO 0.00 0.00 -0.47 0.00 -0.00 0.00 0.00 179.24 178.77 1kfx n ALA 546 N -2.22 -0.67 -2.68 4.15 0.00 -1.22 -5.02 120.51 112.85 1kfx n ALA 546 Ca 0.14 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1kfx n ALA 546 Cb 1.06 -2.69 -0.07 0.00 0.00 0.00 0.00 19.45 17.75 1kfx n ALA 546 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1kfx s GLU 547 N -5.21 2.18 0.30 0.00 2.02 -1.26 -4.78 118.70 111.95 1kfx s GLU 547 Ca 0.14 -2.30 0.08 0.00 0.02 0.00 0.00 54.97 52.92 1kfx s GLU 547 Cb -0.06 -1.64 -0.06 0.00 0.10 0.00 0.00 34.13 32.47 1kfx s GLU 547 CO 0.18 -0.36 -0.08 0.42 0.02 0.00 0.00 175.26 175.44 1kfx s ILE 548 N -2.83 1.94 0.13 -1.63 -1.09 -0.68 -4.69 121.20 112.35 1kfx s ILE 548 Ca 0.14 -2.18 0.03 0.00 -2.23 0.00 0.00 60.65 56.41 1kfx s ILE 548 Cb 0.02 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1kfx s ILE 548 CO 0.08 -0.28 -0.08 -0.55 -1.23 0.00 0.00 174.94 172.89 1kfx s SER 549 N -3.51 1.48 0.11 3.58 0.15 -1.26 -1.45 113.70 112.80 1kfx s SER 549 Ca 0.30 -1.03 -0.22 0.00 0.70 0.00 0.00 55.95 55.71 1kfx s SER 549 Cb 0.03 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 1kfx s SER 549 CO 0.14 -0.41 1.35 0.00 1.20 0.00 0.00 173.24 175.52 1kfx n ALA 550 N -0.14 -0.45 -0.17 5.45 0.00 -1.26 0.34 120.51 124.28 1kfx n ALA 550 Ca -0.11 0.59 -0.05 0.00 0.00 0.00 0.00 53.44 53.88 1kfx n ALA 550 Cb 0.61 0.04 0.12 0.00 0.00 0.00 0.00 19.45 20.22 1kfx n ALA 550 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1kfx h PHE 551 N 0.00 0.99 -0.25 0.00 -1.00 -1.95 0.14 116.94 114.87 1kfx h PHE 551 Ca 0.11 -0.12 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1kfx h PHE 551 Cb 0.29 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1kfx h PHE 551 CO -0.98 0.85 0.14 1.49 -1.61 0.00 0.00 178.31 178.20 1kfx h GLU 552 N 0.88 0.35 -0.83 1.51 4.81 -1.06 -1.83 114.58 118.42 1kfx h GLU 552 Ca 0.18 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.44 1kfx h GLU 552 Cb 0.40 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1kfx h GLU 552 CO 0.01 0.32 0.54 1.25 -0.73 0.00 0.00 179.01 180.40 1kfx h LEU 553 N 0.29 0.77 0.52 1.64 5.85 0.63 0.22 115.31 125.24 1kfx h LEU 553 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1kfx h LEU 553 Cb 0.07 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.95 1kfx h LEU 553 CO -0.01 0.49 -0.25 -0.61 -0.34 0.00 0.00 178.44 177.72 1kfx h GLN 554 N 0.87 -0.67 0.28 1.25 4.15 0.06 0.36 115.11 121.42 1kfx h GLN 554 Ca 0.36 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.82 1kfx h GLN 554 Cb 0.29 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1kfx h GLN 554 CO -0.14 -0.38 -0.14 1.79 -1.93 0.00 0.00 178.83 178.04 1kfx h THR 555 N -0.85 0.74 -0.91 2.39 1.35 -1.18 -0.03 112.91 114.43 1kfx h THR 555 Ca -0.07 -0.58 0.08 0.00 -0.55 0.00 0.00 66.41 65.29 1kfx h THR 555 Cb 0.59 1.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.95 1kfx h THR 555 CO 0.12 0.12 -0.55 0.40 -0.25 0.00 0.00 175.52 175.35 1kfx h ILE 556 N -0.70 0.00 0.24 6.82 1.08 -0.60 0.26 117.51 124.61 1kfx h ILE 556 Ca -0.04 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1kfx h ILE 556 Cb 0.48 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 1kfx h ILE 556 CO 0.06 0.00 -0.31 0.25 -0.69 0.00 0.00 178.15 177.46 1kfx h LEU 557 N -0.02 -0.87 -0.87 1.44 7.12 -0.22 -2.27 115.31 119.63 1kfx h LEU 557 Ca 0.15 0.09 0.14 0.00 0.13 0.00 0.00 57.88 58.38 1kfx h LEU 557 Cb 0.39 0.31 -0.09 0.00 -0.53 0.00 0.00 40.66 40.73 1kfx h LEU 557 CO -0.86 -0.43 0.46 -0.09 -0.13 0.00 0.00 178.44 177.40 1kfx h ARG 558 N -0.61 0.65 0.00 1.25 2.43 -0.07 0.96 114.38 118.99 1kfx h ARG 558 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1kfx h ARG 558 Cb 0.59 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1kfx h ARG 558 CO -0.11 0.43 0.00 -2.13 -1.51 0.00 0.00 179.97 176.65 1kfx n ARG 559 N -4.84 0.22 -3.84 0.20 0.63 0.84 -3.45 116.66 106.42 1kfx n ARG 559 Ca 0.17 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.82 1kfx n ARG 559 Cb 0.43 -1.11 -0.12 0.00 0.45 0.00 0.00 32.46 32.10 1kfx n ARG 559 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1kfx s VAL 560 N -2.00 2.54 0.00 5.15 1.01 0.33 -5.03 120.40 122.41 1kfx s VAL 560 Ca 0.02 -3.97 0.00 0.00 0.00 0.00 0.00 61.98 58.03 1kfx s VAL 560 Cb 0.01 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1kfx s VAL 560 CO 0.02 -1.01 0.00 -0.11 0.00 0.00 0.00 175.10 174.00 1kfx n LEU 561 N 2.20 0.00 0.00 3.92 7.94 -1.22 -4.99 117.00 124.85 1kfx n LEU 561 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1kfx n LEU 561 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1kfx n LEU 561 CO 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.53 1kfx n ALA 562 N -0.08 0.00 -0.02 1.96 0.00 -1.26 -5.08 120.51 116.04 1kfx n ALA 562 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1kfx n ALA 562 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1kfx n ALA 562 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kfx n LYS 563 N 0.00 0.25 0.00 0.00 4.01 -1.26 -5.33 118.16 115.83 1kfx n LYS 563 Ca 0.00 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.90 1kfx n LYS 563 Cb 0.00 -0.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.59 1kfx n LYS 563 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1kfx n ARG 564 N -3.93 0.00 0.00 1.97 3.00 -1.26 -5.25 116.66 111.18 1kfx n ARG 564 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 1kfx n ARG 564 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.70 1kfx n ARG 564 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1kfx n LYS 568 N 0.00 0.00 -0.84 5.56 4.76 -1.26 -5.15 118.16 121.23 1kfx n LYS 568 Ca 0.00 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 1kfx n LYS 568 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1kfx n LYS 568 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1kfx n SER 569 N 1.75 -2.01 -2.70 4.39 2.88 -1.26 -4.99 113.62 111.67 1kfx n SER 569 Ca 0.00 0.50 -0.06 0.00 -1.33 0.00 0.00 58.87 57.98 1kfx n SER 569 Cb 0.00 -0.57 0.06 0.00 -0.75 0.00 0.00 64.21 62.95 1kfx n SER 569 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1kfx n ASP 570 N 1.55 -2.01 -0.17 -3.46 4.64 -1.26 -5.15 116.55 110.69 1kfx n ASP 570 Ca 0.07 -2.37 0.00 0.00 -1.38 0.00 0.00 54.79 51.10 1kfx n ASP 570 Cb 0.27 1.19 0.00 0.00 -1.04 0.00 0.00 41.12 41.54 1kfx n ASP 570 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1kfx n GLY 571 N 1.68 0.21 3.73 0.27 0.00 -1.26 -4.76 105.19 105.06 1kfx n GLY 571 Ca 0.06 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1kfx n GLY 571 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kfx s PHE 572 N 0.00 3.02 0.98 1.61 0.08 -1.26 -4.76 117.98 117.64 1kfx s PHE 572 Ca 0.00 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 1kfx s PHE 572 Cb 0.00 -1.48 0.18 0.00 -0.57 0.00 0.00 43.02 41.15 1kfx s PHE 572 CO 0.00 0.51 1.08 -1.54 -0.10 0.00 0.00 175.22 175.18 1kfx s SER 573 N -2.88 2.71 0.07 1.36 1.04 -1.26 -4.91 113.70 109.83 1kfx s SER 573 Ca 0.29 1.45 -0.18 0.00 0.48 0.00 0.00 55.95 57.98 1kfx s SER 573 Cb -0.10 -2.12 -0.11 0.00 0.10 0.00 0.00 66.02 63.79 1kfx s SER 573 CO 0.21 -3.11 1.41 -0.29 0.98 0.00 0.00 173.24 172.43 1kfx h ILE 574 N -1.88 1.31 -0.78 -1.02 2.10 -1.99 -3.10 117.51 112.16 1kfx h ILE 574 Ca -0.53 -1.25 0.18 0.00 1.08 0.00 0.00 64.86 64.35 1kfx h ILE 574 Cb 1.31 1.67 -0.15 0.00 -1.09 0.00 0.00 36.82 38.56 1kfx h ILE 574 CO 0.54 0.38 -0.11 -0.62 -1.08 0.00 0.00 178.15 177.26 1kfx n GLU 575 N -4.50 -0.07 0.00 2.19 4.71 -1.26 0.20 120.64 121.91 1kfx n GLU 575 Ca -0.05 1.20 0.00 0.00 -0.01 0.00 0.00 57.16 58.30 1kfx n GLU 575 Cb 0.36 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 1kfx n GLU 575 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1kfx n THR 576 N -5.20 0.00 -0.36 2.62 -1.04 -1.17 -1.21 114.28 107.92 1kfx n THR 576 Ca 0.15 1.41 -0.02 0.00 -2.04 0.00 0.00 64.05 63.54 1kfx n THR 576 Cb 0.48 -2.27 0.02 0.00 -1.82 0.00 0.00 70.33 66.74 1kfx n THR 576 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kfx h LYS 578 N 0.00 0.08 0.00 0.00 1.63 0.27 0.68 116.57 119.24 1kfx h LYS 578 Ca 0.29 -0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.88 1kfx h LYS 578 Cb 0.52 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.09 1kfx h LYS 578 CO -0.90 0.06 -2.07 1.51 -3.45 0.00 0.00 179.45 174.60 1kfx n ILE 579 N -4.63 0.90 -0.01 2.00 0.00 1.00 -2.62 119.36 116.00 1kfx n ILE 579 Ca 0.37 -0.71 -0.12 0.00 0.00 0.00 0.00 62.75 62.29 1kfx n ILE 579 Cb 1.45 -0.37 -0.06 0.00 0.00 0.00 0.00 39.64 40.65 1kfx n ILE 579 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1kfx h MET 580 N 0.00 -0.47 0.07 9.51 2.86 0.54 0.16 114.93 127.59 1kfx h MET 580 Ca -0.29 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1kfx h MET 580 Cb 1.71 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 33.44 1kfx h MET 580 CO 0.02 -0.31 -0.47 0.28 1.06 0.00 0.00 176.91 177.49 1kfx h VAL 581 N -0.49 0.00 -1.38 -2.22 2.07 -1.04 -1.98 116.25 111.21 1kfx h VAL 581 Ca 0.08 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.00 1kfx h VAL 581 Cb 0.63 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.32 1kfx h VAL 581 CO -0.42 0.00 0.96 0.44 0.02 0.00 0.00 177.57 178.57 1kfx h ASP 582 N -0.64 0.13 0.09 0.57 3.45 -1.02 1.00 116.42 120.00 1kfx h ASP 582 Ca -0.00 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1kfx h ASP 582 Cb 0.65 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1kfx h ASP 582 CO -0.27 -0.03 0.00 0.80 -1.57 0.00 0.00 179.24 178.17 1kfx n MET 583 N -4.32 0.89 0.00 3.56 1.56 0.45 -4.10 117.12 115.17 1kfx n MET 583 Ca 0.33 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.76 1kfx n MET 583 Cb 1.42 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 35.29 1kfx n MET 583 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1kfx n LEU 584 N -1.05 0.00 -4.56 -0.89 4.77 0.32 -4.94 117.00 110.65 1kfx n LEU 584 Ca 0.22 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 1kfx n LEU 584 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1kfx n LEU 584 CO 0.19 0.00 1.31 -0.62 -1.33 0.00 0.00 177.39 176.94 1kfx s ASP 585 N -1.35 4.67 -0.16 -1.43 3.68 0.21 -4.74 116.67 117.55 1kfx s ASP 585 Ca 0.00 -0.65 -0.24 0.00 2.13 0.00 0.00 52.55 53.79 1kfx s ASP 585 Cb 0.00 -2.56 -0.21 0.00 -1.45 0.00 0.00 42.92 38.69 1kfx s ASP 585 CO 0.00 -3.24 0.50 -1.28 0.13 0.00 0.00 175.17 171.28 1kfx h SER 586 N 11.45 0.00 0.00 -0.34 0.87 -1.91 -3.32 113.55 120.30 1kfx h SER 586 Ca 0.08 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.91 1kfx h SER 586 Cb 0.99 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1kfx h SER 586 CO 1.14 1.13 0.20 -0.90 -0.53 0.00 0.00 176.83 177.87 1kfx n ASP 587 N -4.56 0.01 -0.31 6.23 5.68 -1.26 -4.75 116.55 117.59 1kfx n ASP 587 Ca -0.17 0.31 -0.04 0.00 -0.50 0.00 0.00 54.79 54.40 1kfx n ASP 587 Cb 0.51 -0.31 -0.01 0.00 -1.14 0.00 0.00 41.12 40.16 1kfx n ASP 587 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kfx n GLY 588 N -1.31 0.61 0.00 6.12 0.00 -1.25 -5.00 105.19 104.37 1kfx n GLY 588 Ca -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1kfx n GLY 588 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kfx n SER 589 N 1.38 0.00 0.00 1.61 3.41 -1.26 -5.01 113.62 113.75 1kfx n SER 589 Ca -0.04 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kfx n SER 589 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1kfx n SER 589 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfx n GLY 590 N 2.09 -0.63 3.24 5.00 0.00 -1.26 -5.15 105.19 108.48 1kfx n GLY 590 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1kfx n GLY 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfx s LYS 591 N 0.00 1.23 0.03 1.61 1.02 -1.26 -4.32 119.74 118.05 1kfx s LYS 591 Ca 0.00 -1.65 0.05 0.00 0.02 0.00 0.00 55.97 54.39 1kfx s LYS 591 Cb 0.00 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1kfx s LYS 591 CO 0.00 -0.31 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.46 1kfx s LEU 592 N -3.20 2.13 0.00 3.17 1.43 -0.53 -4.83 118.68 116.85 1kfx s LEU 592 Ca 0.35 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1kfx s LEU 592 Cb 0.07 -0.67 0.05 0.00 0.03 0.00 0.00 46.19 45.68 1kfx s LEU 592 CO 0.10 0.08 0.45 0.61 0.23 0.00 0.00 176.35 177.82 1kfx n GLY 593 N 2.13 2.15 0.29 -3.19 0.00 -1.26 -1.68 105.19 103.63 1kfx n GLY 593 Ca -0.17 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.61 1kfx n GLY 593 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1kfx h LEU 594 N 0.00 -0.84 -0.00 0.99 -0.00 -1.97 -1.18 115.31 112.30 1kfx h LEU 594 Ca -0.18 0.20 0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1kfx h LEU 594 Cb 0.78 0.46 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 1kfx h LEU 594 CO 0.26 -0.26 -0.29 0.07 -0.00 0.00 0.00 178.44 178.23 1kfx h LYS 595 N -0.10 -0.35 0.36 0.17 -0.00 -1.94 0.33 116.57 115.04 1kfx h LYS 595 Ca 0.25 0.02 -0.02 0.00 -0.00 0.00 0.00 60.65 60.91 1kfx h LYS 595 Cb 0.50 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.81 1kfx h LYS 595 CO -0.62 -0.23 -0.17 1.05 -0.00 0.00 0.00 179.45 179.47 1kfx h GLU 596 N -0.36 -0.47 -1.08 0.07 9.09 -1.95 -1.10 114.58 118.78 1kfx h GLU 596 Ca 0.01 0.03 0.30 0.00 0.05 0.00 0.00 59.36 59.75 1kfx h GLU 596 Cb 0.39 0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.53 1kfx h GLU 596 CO -0.19 -0.26 0.76 0.35 0.05 0.00 0.00 179.01 179.72 1kfx h PHE 597 N -0.57 0.17 0.48 2.06 3.57 -1.14 0.34 116.94 121.85 1kfx h PHE 597 Ca -0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1kfx h PHE 597 Cb 0.42 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1kfx h PHE 597 CO -0.03 0.02 -0.23 -0.92 -2.23 0.00 0.00 178.31 174.92 1kfx h TYR 598 N 0.10 -0.59 -0.61 0.41 3.20 0.76 -1.20 116.97 119.04 1kfx h TYR 598 Ca 0.54 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.51 1kfx h TYR 598 Cb 1.93 0.20 -0.12 0.00 1.54 0.00 0.00 36.73 40.28 1kfx h TYR 598 CO -0.00 -0.27 -0.22 0.82 -1.64 0.00 0.00 178.16 176.85 1kfx h ILE 599 N -0.97 0.29 0.00 1.81 2.04 0.69 0.16 117.51 121.53 1kfx h ILE 599 Ca -0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1kfx h ILE 599 Cb 0.59 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1kfx h ILE 599 CO 0.11 0.00 0.00 -0.11 0.00 0.00 0.00 178.15 178.15 1kfx n LEU 600 N -5.44 0.00 -0.24 1.44 7.94 0.44 0.94 117.00 122.08 1kfx n LEU 600 Ca 0.06 0.81 0.04 0.00 -1.11 0.00 0.00 56.01 55.81 1kfx n LEU 600 Cb 0.34 -0.31 0.09 0.00 0.53 0.00 0.00 43.42 44.07 1kfx n LEU 600 CO 0.03 -0.31 0.45 1.87 -1.11 0.00 0.00 177.39 178.32 1kfx n TRP 601 N -1.83 0.23 -0.11 1.96 -0.00 -0.46 0.18 117.44 117.41 1kfx n TRP 601 Ca 0.00 0.83 -0.13 0.00 -0.00 0.00 0.00 57.50 58.19 1kfx n TRP 601 Cb 0.00 -0.89 -0.02 0.00 -0.00 0.00 0.00 31.31 30.40 1kfx n TRP 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1kfx h THR 602 N 0.00 1.27 -0.07 5.87 1.03 -0.49 -0.29 112.91 120.24 1kfx h THR 602 Ca 0.32 -1.59 0.00 0.00 -0.01 0.00 0.00 66.41 65.13 1kfx h THR 602 Cb 0.49 1.42 -0.00 0.00 -1.07 0.00 0.00 68.15 68.99 1kfx h THR 602 CO -0.70 0.53 0.04 0.11 -0.01 0.00 0.00 175.52 175.50 1kfx h LYS 603 N 0.75 0.09 -0.03 0.00 1.57 0.87 -0.71 116.57 119.11 1kfx h LYS 603 Ca 0.05 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1kfx h LYS 603 Cb 1.02 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 1kfx h LYS 603 CO 0.10 0.07 -0.38 0.82 -0.57 0.00 0.00 179.45 179.50 1kfx h ILE 604 N 0.08 0.00 -0.64 1.86 1.08 0.04 0.72 117.51 120.65 1kfx h ILE 604 Ca 0.02 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.60 1kfx h ILE 604 Cb 0.00 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.64 1kfx h ILE 604 CO -0.01 0.00 -0.22 0.00 -0.69 0.00 0.00 178.15 177.24 1kfx n GLN 605 N -4.55 -0.12 0.25 2.37 1.13 -0.13 -0.17 117.38 116.15 1kfx n GLN 605 Ca -0.05 1.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.91 1kfx n GLN 605 Cb 0.27 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.09 1kfx n GLN 605 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1kfx h LYS 606 N 0.00 -0.62 -0.10 -1.09 1.63 0.52 -2.57 116.57 114.35 1kfx h LYS 606 Ca 0.25 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.11 1kfx h LYS 606 Cb 0.42 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1kfx h LYS 606 CO -0.65 -0.41 -0.06 0.66 -3.45 0.00 0.00 179.45 175.54 1kfx n TYR 607 N -3.77 -0.04 -0.43 1.91 4.01 0.76 0.81 117.16 120.40 1kfx n TYR 607 Ca -0.08 0.12 0.36 0.00 -0.16 0.00 0.00 57.90 58.14 1kfx n TYR 607 Cb 0.25 -0.39 0.66 0.00 -0.31 0.00 0.00 39.34 39.55 1kfx n TYR 607 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1kfx h GLN 608 N 0.00 0.12 -0.40 -0.72 4.15 -0.88 0.31 115.11 117.69 1kfx h GLN 608 Ca 0.02 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1kfx h GLN 608 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1kfx h GLN 608 CO -0.09 0.08 0.21 -0.22 -1.93 0.00 0.00 178.83 176.88 1kfx h LYS 609 N 0.13 0.55 0.07 1.69 3.64 0.83 -2.89 116.57 120.59 1kfx h LYS 609 Ca 0.74 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.92 1kfx h LYS 609 Cb 2.46 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 34.18 1kfx h LYS 609 CO -0.26 0.42 -0.61 0.82 -2.27 0.00 0.00 179.45 177.55 1kfx h ILE 610 N 0.56 1.51 -0.54 2.00 2.04 -0.30 0.13 117.51 122.90 1kfx h ILE 610 Ca 0.14 -2.31 0.09 0.00 1.00 0.00 0.00 64.86 63.79 1kfx h ILE 610 Cb 0.04 2.98 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 1kfx h ILE 610 CO -0.02 0.65 0.15 0.22 0.00 0.00 0.00 178.15 179.15 1kfx h TYR 611 N -0.36 0.25 -0.28 1.37 3.20 -1.48 -2.20 116.97 117.48 1kfx h TYR 611 Ca -0.10 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.70 1kfx h TYR 611 Cb 1.41 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1kfx h TYR 611 CO 0.19 0.03 -0.22 0.00 -1.64 0.00 0.00 178.16 176.52 1kfx h ARG 612 N 0.30 0.64 0.00 1.82 2.47 -1.57 1.23 114.38 119.27 1kfx h ARG 612 Ca 0.27 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1kfx h ARG 612 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1kfx h ARG 612 CO -0.32 0.92 0.01 -1.91 0.56 0.00 0.00 179.97 179.23 1kfx n GLU 613 N -4.34 0.00 0.00 0.04 4.07 0.44 -2.74 120.64 118.10 1kfx n GLU 613 Ca -0.04 0.41 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 1kfx n GLU 613 Cb 0.43 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.30 1kfx n GLU 613 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1kfx n ILE 614 N -1.40 0.00 -1.18 6.31 -0.00 -0.88 -4.73 119.36 117.48 1kfx n ILE 614 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.40 1kfx n ILE 614 Cb 0.01 -0.61 -0.02 0.00 -0.00 0.00 0.00 39.64 39.02 1kfx n ILE 614 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1kfx n ASP 615 N -2.04 6.98 -2.38 4.38 -0.08 0.42 -4.75 116.55 119.07 1kfx n ASP 615 Ca 0.00 -2.53 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1kfx n ASP 615 Cb 0.41 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1kfx n ASP 615 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1kfx n VAL 616 N 4.00 0.00 -1.41 5.18 0.24 -1.25 -4.45 118.33 120.64 1kfx n VAL 616 Ca 0.66 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.96 1kfx n VAL 616 Cb 0.22 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.36 1kfx n VAL 616 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1kfx n ASP 617 N 2.58 0.00 -2.78 -1.34 9.92 -1.26 -5.05 116.55 118.62 1kfx n ASP 617 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1kfx n ASP 617 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1kfx n ASP 617 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1kfx n ARG 618 N 0.00 2.09 -0.13 -1.24 -4.01 -1.26 -4.83 116.66 107.29 1kfx n ARG 618 Ca 0.00 -3.91 -0.20 0.00 -1.04 0.00 0.00 57.85 52.70 1kfx n ARG 618 Cb 0.00 -1.79 -0.11 0.00 -3.04 0.00 0.00 32.46 27.51 1kfx n ARG 618 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1kfx n SER 619 N -0.13 2.01 -2.21 2.89 3.41 -1.26 -4.96 113.62 113.36 1kfx n SER 619 Ca 0.25 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.72 1kfx n SER 619 Cb 0.66 -0.50 0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1kfx n SER 619 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfx n GLY 620 N 2.04 0.10 3.59 5.00 0.00 -1.26 -4.67 105.19 109.99 1kfx n GLY 620 Ca -0.47 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 1kfx n GLY 620 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfx s THR 621 N -3.18 -0.49 -0.01 2.61 -4.23 -1.26 -4.36 115.64 104.72 1kfx s THR 621 Ca 0.22 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.82 1kfx s THR 621 Cb -0.10 -0.95 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 1kfx s THR 621 CO 0.39 0.01 -0.20 0.00 -0.54 0.00 0.00 174.62 174.28 1kfx s MET 622 N 2.25 1.58 0.34 3.99 0.23 -1.17 -4.89 119.30 121.63 1kfx s MET 622 Ca -0.08 -0.73 -0.28 0.00 -1.03 0.00 0.00 55.69 53.58 1kfx s MET 622 Cb -0.09 -1.54 -0.12 0.00 -1.53 0.00 0.00 34.83 31.55 1kfx s MET 622 CO -0.19 0.42 1.30 0.09 -2.03 0.00 0.00 175.02 174.61 1kfx n ASN 623 N 2.53 2.79 -0.20 -1.18 3.02 -1.26 -1.48 115.26 119.48 1kfx n ASN 623 Ca -0.15 1.21 0.02 0.00 -0.03 0.00 0.00 54.58 55.63 1kfx n ASN 623 Cb 0.53 -1.49 0.29 0.00 -0.61 0.00 0.00 39.78 38.50 1kfx n ASN 623 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1kfx h SER 624 N 2.55 0.79 -0.06 6.41 0.02 -1.69 -2.05 113.55 119.53 1kfx h SER 624 Ca -0.46 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1kfx h SER 624 Cb 1.28 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1kfx h SER 624 CO 0.62 0.55 0.16 1.88 -1.14 0.00 0.00 176.83 178.90 1kfx h TYR 625 N 0.92 0.00 -0.10 3.45 -1.99 -1.87 -1.21 116.97 116.17 1kfx h TYR 625 Ca 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.00 1kfx h TYR 625 Cb -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.72 1kfx h TYR 625 CO -0.00 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.09 1kfx h GLU 626 N 0.00 0.17 -1.37 4.88 4.39 -1.73 -3.27 114.58 117.64 1kfx h GLU 626 Ca 0.03 -0.05 0.45 0.00 0.34 0.00 0.00 59.36 60.12 1kfx h GLU 626 Cb 0.34 -0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 28.87 1kfx h GLU 626 CO -0.00 0.41 0.92 -1.33 -1.16 0.00 0.00 179.01 177.85 1kfx n MET 627 N -4.83 -0.02 0.05 2.33 2.81 -0.46 0.73 117.12 117.72 1kfx n MET 627 Ca -0.06 1.06 -0.13 0.00 -1.81 0.00 0.00 57.70 56.76 1kfx n MET 627 Cb 0.19 -2.19 -0.09 0.00 -0.71 0.00 0.00 33.22 30.42 1kfx n MET 627 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1kfx h ARG 628 N 0.00 -0.12 0.00 0.03 2.43 -1.72 -0.55 114.38 114.45 1kfx h ARG 628 Ca 0.79 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.97 1kfx h ARG 628 Cb 2.75 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 32.33 1kfx h ARG 628 CO -0.30 0.22 0.00 1.17 -1.51 0.00 0.00 179.97 179.55 1kfx n LYS 629 N -4.99 0.00 0.00 0.20 3.00 0.22 -2.58 118.16 114.02 1kfx n LYS 629 Ca -0.08 0.68 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 1kfx n LYS 629 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1kfx n LYS 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kfx n ALA 630 N -2.27 0.00 -0.44 3.14 0.00 -0.22 0.21 120.51 120.93 1kfx n ALA 630 Ca 0.00 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.81 1kfx n ALA 630 Cb 0.00 0.13 0.65 0.00 0.00 0.00 0.00 19.45 20.23 1kfx n ALA 630 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1kfx h LEU 631 N 0.00 0.24 -0.47 0.00 3.38 -1.02 1.10 115.31 118.54 1kfx h LEU 631 Ca 0.00 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1kfx h LEU 631 Cb 0.00 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1kfx h LEU 631 CO 0.00 -0.21 0.17 -0.08 0.09 0.00 0.00 178.44 178.40 1kfx h GLU 632 N 0.07 0.72 -0.40 1.13 4.81 0.27 0.66 114.58 121.83 1kfx h GLU 632 Ca 0.84 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.93 1kfx h GLU 632 Cb 2.61 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.86 1kfx h GLU 632 CO -0.45 0.66 0.26 0.93 -0.73 0.00 0.00 179.01 179.69 1kfx h GLU 633 N 0.62 0.53 0.00 1.92 5.08 0.14 -0.77 114.58 122.10 1kfx h GLU 633 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1kfx h GLU 633 Cb 0.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1kfx h GLU 633 CO -0.01 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1kfx n ALA 634 N -2.21 2.32 -2.13 3.43 0.00 -0.67 -4.84 120.51 116.40 1kfx n ALA 634 Ca 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1kfx n ALA 634 Cb 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1kfx n ALA 634 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 635 N 0.37 0.47 3.09 0.00 0.00 -0.29 -4.86 105.19 103.98 1kfx n GLY 635 Ca 0.11 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 1kfx n GLY 635 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kfx s PHE 636 N -2.26 2.10 -0.04 1.61 0.08 0.22 -2.88 117.98 116.81 1kfx s PHE 636 Ca 0.00 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.13 1kfx s PHE 636 Cb -0.00 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1kfx s PHE 636 CO 0.01 -0.46 -0.15 0.15 -0.10 0.00 0.00 175.22 174.67 1kfx s LYS 637 N 0.82 1.59 -0.02 0.44 1.02 -0.07 -3.02 119.74 120.50 1kfx s LYS 637 Ca -0.10 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.19 1kfx s LYS 637 Cb -0.16 -1.39 0.03 0.00 -0.52 0.00 0.00 37.83 35.80 1kfx s LYS 637 CO 0.01 0.19 0.40 0.00 -0.92 0.00 0.00 175.35 175.03 1kfx s MET 638 N 0.13 0.77 1.00 1.68 0.23 -1.26 -0.09 119.30 121.77 1kfx s MET 638 Ca -0.05 -0.11 -0.12 0.00 -1.03 0.00 0.00 55.69 54.38 1kfx s MET 638 Cb -0.11 0.35 0.19 0.00 -1.53 0.00 0.00 34.83 33.73 1kfx s MET 638 CO 0.02 -0.23 1.09 -2.14 -2.03 0.00 0.00 175.02 171.73 1kfx s PRO 639 N -1.40 0.40 0.25 3.16 0.02 -1.26 -4.61 135.00 131.55 1kfx s PRO 639 Ca -0.12 0.60 -0.07 0.00 0.02 0.00 0.00 61.00 61.43 1kfx s PRO 639 Cb -0.04 -1.73 0.45 0.00 0.02 0.00 0.00 34.50 33.21 1kfx s PRO 639 CO 0.05 -2.77 1.63 0.00 -0.33 0.00 0.00 177.00 175.58 1kfx h GLN 641 N 0.11 -0.23 -0.09 0.00 -0.00 -2.00 -3.03 115.11 109.86 1kfx h GLN 641 Ca 0.42 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 59.11 1kfx h GLN 641 Cb 0.74 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.25 1kfx h GLN 641 CO -0.67 -0.15 -0.06 -0.07 0.00 0.00 0.00 178.83 177.88 1kfx h LEU 642 N -0.24 -0.19 -1.08 -2.39 -0.00 -1.86 -1.96 115.31 107.58 1kfx h LEU 642 Ca 0.18 0.04 0.25 0.00 -0.00 0.00 0.00 57.88 58.35 1kfx h LEU 642 Cb 0.55 0.10 -0.12 0.00 -0.00 0.00 0.00 40.66 41.19 1kfx h LEU 642 CO -0.58 -0.08 0.61 0.45 -0.00 0.00 0.00 178.44 178.84 1kfx h HIS 643 N -0.07 0.94 0.74 1.13 3.86 -1.61 1.73 115.15 121.87 1kfx h HIS 643 Ca 0.06 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1kfx h HIS 643 Cb 0.15 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 28.35 1kfx h HIS 643 CO -0.17 0.07 -0.36 1.96 0.86 0.00 0.00 177.93 180.29 1kfx h GLN 644 N 0.55 -0.96 -0.95 2.45 4.20 -1.27 0.46 115.11 119.59 1kfx h GLN 644 Ca 0.63 0.07 0.25 0.00 0.06 0.00 0.00 58.65 59.66 1kfx h GLN 644 Cb 1.27 0.22 -0.05 0.00 0.30 0.00 0.00 27.48 29.22 1kfx h GLN 644 CO -0.43 -0.64 0.66 -0.39 -0.67 0.00 0.00 178.83 177.35 1kfx h VAL 645 N -1.00 0.57 -0.13 -0.54 -1.51 0.59 0.78 116.25 115.01 1kfx h VAL 645 Ca -0.10 -0.06 -0.10 0.00 -1.23 0.00 0.00 66.70 65.21 1kfx h VAL 645 Cb 0.77 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 1kfx h VAL 645 CO 0.16 0.03 -0.36 0.40 -1.23 0.00 0.00 177.57 176.57 1kfx h ILE 646 N 0.16 1.29 0.00 7.19 2.04 0.44 0.33 117.51 128.96 1kfx h ILE 646 Ca 0.48 -1.40 -0.15 0.00 1.00 0.00 0.00 64.86 64.79 1kfx h ILE 646 Cb 1.60 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1kfx h ILE 646 CO -0.09 0.42 -1.59 0.52 0.00 0.00 0.00 178.15 177.40 1kfx n VAL 647 N -4.07 0.95 0.01 1.67 0.31 0.15 -1.92 118.33 115.44 1kfx n VAL 647 Ca -0.01 -0.67 -0.18 0.00 -0.01 0.00 0.00 64.34 63.48 1kfx n VAL 647 Cb 0.44 -0.53 -0.13 0.00 -0.91 0.00 0.00 33.84 32.72 1kfx n VAL 647 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kfx h ALA 648 N 1.53 -0.01 0.00 3.52 0.00 0.43 -1.20 119.26 123.54 1kfx h ALA 648 Ca -0.17 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1kfx h ALA 648 Cb 1.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1kfx h ALA 648 CO 0.03 0.28 0.00 -2.13 0.00 0.00 0.00 179.25 177.43 1kfx n ARG 649 N -4.27 0.26 0.00 0.00 3.00 0.12 -4.38 116.66 111.38 1kfx n ARG 649 Ca -0.12 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1kfx n ARG 649 Cb 0.68 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1kfx n ARG 649 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1kfx n PHE 650 N -2.26 0.00 -2.15 -0.14 0.99 -0.81 -5.05 117.46 108.05 1kfx n PHE 650 Ca 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.35 1kfx n PHE 650 Cb 0.42 0.00 0.09 0.00 -1.00 0.00 0.00 39.48 38.99 1kfx n PHE 650 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1kfx n ALA 651 N -0.67 -0.24 -2.15 4.37 0.00 -0.45 -4.71 120.51 116.66 1kfx n ALA 651 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 53.44 52.09 1kfx n ALA 651 Cb 0.00 0.11 0.04 0.00 0.00 0.00 0.00 19.45 19.60 1kfx n ALA 651 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kfx s ASP 652 N -3.60 4.93 0.44 0.00 2.15 -0.44 -4.87 116.67 115.28 1kfx s ASP 652 Ca 0.42 -1.00 0.23 0.00 0.43 0.00 0.00 52.55 52.63 1kfx s ASP 652 Cb -0.02 0.40 0.98 0.00 -0.30 0.00 0.00 42.92 43.98 1kfx s ASP 652 CO 0.28 -1.31 1.86 0.44 -0.17 0.00 0.00 175.17 176.28 1kfx h ASP 653 N 0.32 0.00 0.60 -0.34 3.32 -1.99 -1.89 116.42 116.44 1kfx h ASP 653 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.74 1kfx h ASP 653 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1kfx h ASP 653 CO 0.45 0.25 -0.37 0.00 -1.72 0.00 0.00 179.24 177.84 1kfx n GLN 654 N -3.52 0.04 -1.94 3.56 3.00 -1.26 -4.95 117.38 112.31 1kfx n GLN 654 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1kfx n GLN 654 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1kfx n GLN 654 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1kfx n LEU 655 N -1.46 -1.57 -4.33 1.08 4.77 -0.71 -5.02 117.00 109.76 1kfx n LEU 655 Ca 0.06 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 1kfx n LEU 655 Cb 0.34 -0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1kfx n LEU 655 CO 0.33 0.00 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.24 1kfx s ILE 656 N -2.77 2.47 -0.30 -0.08 1.09 -1.26 -2.15 121.20 118.20 1kfx s ILE 656 Ca 0.00 -0.91 -0.07 0.00 -1.10 0.00 0.00 60.65 58.57 1kfx s ILE 656 Cb 0.00 -1.95 0.00 0.00 -1.06 0.00 0.00 42.46 39.46 1kfx s ILE 656 CO 0.00 0.56 0.10 -0.63 -0.10 0.00 0.00 174.94 174.87 1kfx s ILE 657 N -0.16 4.12 1.17 2.92 1.09 -0.55 -1.33 121.20 128.47 1kfx s ILE 657 Ca -0.03 -0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 58.75 1kfx s ILE 657 Cb -0.14 -3.11 0.27 0.00 -1.06 0.00 0.00 42.46 38.42 1kfx s ILE 657 CO 0.04 0.09 1.07 1.51 -0.10 0.00 0.00 174.94 177.55 1kfx s ASP 658 N 1.53 1.12 0.09 3.58 1.47 -1.26 -3.04 116.67 120.16 1kfx s ASP 658 Ca 0.03 0.89 -0.17 0.00 1.18 0.00 0.00 52.55 54.48 1kfx s ASP 658 Cb -0.17 -1.32 -0.07 0.00 -0.34 0.00 0.00 42.92 41.02 1kfx s ASP 658 CO 0.03 -4.03 1.51 0.15 0.68 0.00 0.00 175.17 173.52 1kfx h PHE 659 N -2.51 0.58 0.01 2.11 3.04 -1.99 -2.15 116.94 116.03 1kfx h PHE 659 Ca -0.49 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 61.36 1kfx h PHE 659 Cb 1.32 -0.15 -0.04 0.00 2.56 0.00 0.00 35.95 39.64 1kfx h PHE 659 CO -1.36 0.69 -0.43 0.22 -2.02 0.00 0.00 178.31 175.42 1kfx h ASP 660 N 0.30 -1.32 -0.88 0.41 -0.00 -1.92 -1.54 116.42 111.47 1kfx h ASP 660 Ca 0.08 0.15 0.07 0.00 -0.00 0.00 0.00 57.03 57.33 1kfx h ASP 660 Cb 0.48 0.50 -0.07 0.00 -0.00 0.00 0.00 39.33 40.24 1kfx h ASP 660 CO 0.02 -0.42 0.54 0.78 -0.00 0.00 0.00 179.24 180.16 1kfx h ASN 661 N -0.54 0.84 -0.67 2.28 4.21 -1.94 0.89 115.58 120.64 1kfx h ASN 661 Ca 0.01 0.02 0.12 0.00 1.21 0.00 0.00 56.30 57.67 1kfx h ASN 661 Cb 0.58 -0.15 -0.13 0.00 -1.12 0.00 0.00 38.32 37.50 1kfx h ASN 661 CO -0.28 0.52 -0.28 0.15 -1.29 0.00 0.00 177.43 176.24 1kfx h PHE 662 N 0.96 -0.74 0.02 1.19 -0.00 -0.68 0.68 116.94 118.37 1kfx h PHE 662 Ca 0.39 0.07 -0.21 0.00 -0.00 0.00 0.00 57.97 58.22 1kfx h PHE 662 Cb 0.23 0.43 -0.02 0.00 -0.00 0.00 0.00 35.95 36.58 1kfx h PHE 662 CO -0.03 -0.36 -1.01 -0.39 -0.00 0.00 0.00 178.31 176.52 1kfx h VAL 663 N -0.09 1.67 -0.79 1.41 -1.51 -0.07 -2.57 116.25 114.30 1kfx h VAL 663 Ca 0.28 -3.29 0.15 0.00 -1.23 0.00 0.00 66.70 62.61 1kfx h VAL 663 Cb 0.55 2.81 -0.06 0.00 -2.13 0.00 0.00 31.29 32.47 1kfx h VAL 663 CO -0.73 0.94 0.52 -0.09 -1.23 0.00 0.00 177.57 176.99 1kfx h ARG 664 N 0.01 0.49 0.16 5.19 2.43 0.23 0.37 114.38 123.26 1kfx h ARG 664 Ca -0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1kfx h ARG 664 Cb 1.75 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1kfx h ARG 664 CO 0.14 0.32 -0.08 0.00 -1.51 0.00 0.00 179.97 178.84 1kfx h LEU 666 N -0.36 -0.39 0.24 0.00 3.38 -1.15 0.61 115.31 117.64 1kfx h LEU 666 Ca -0.02 0.26 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1kfx h LEU 666 Cb 0.17 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1kfx h LEU 666 CO 0.04 -0.32 -0.11 0.58 0.09 0.00 0.00 178.44 178.71 1kfx h VAL 667 N 0.04 0.00 -0.93 1.22 2.07 -1.00 -2.50 116.25 115.15 1kfx h VAL 667 Ca 0.59 -0.03 0.27 0.00 0.82 0.00 0.00 66.70 68.35 1kfx h VAL 667 Cb 1.22 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 1kfx h VAL 667 CO -0.87 0.00 0.31 -0.09 0.02 0.00 0.00 177.57 176.94 1kfx h ARG 668 N -0.35 0.19 0.03 1.57 2.43 0.05 0.16 114.38 118.46 1kfx h ARG 668 Ca -0.03 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1kfx h ARG 668 Cb 0.25 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1kfx h ARG 668 CO 0.05 0.12 -0.11 1.25 -1.51 0.00 0.00 179.97 179.78 1kfx h LEU 669 N 0.19 -0.31 -0.59 3.80 5.85 0.17 -0.88 115.31 123.54 1kfx h LEU 669 Ca 0.62 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.45 1kfx h LEU 669 Cb 1.34 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.44 1kfx h LEU 669 CO -0.69 -0.16 0.29 -0.08 -0.34 0.00 0.00 178.44 177.46 1kfx h GLU 670 N -0.20 0.51 0.40 1.25 4.81 -0.27 0.24 114.58 121.32 1kfx h GLU 670 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1kfx h GLU 670 Cb 0.24 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1kfx h GLU 670 CO -0.09 0.34 -0.25 1.15 -0.73 0.00 0.00 179.01 179.42 1kfx h THR 671 N 0.53 0.00 -0.94 0.32 2.02 -0.62 -0.48 112.91 113.74 1kfx h THR 671 Ca 0.28 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.68 1kfx h THR 671 Cb 0.24 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.53 1kfx h THR 671 CO -0.21 0.00 0.49 -0.07 0.37 0.00 0.00 175.52 176.09 1kfx h LEU 672 N -0.62 0.51 0.00 2.58 -0.00 -0.97 0.15 115.31 116.96 1kfx h LEU 672 Ca -0.05 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1kfx h LEU 672 Cb 0.50 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1kfx h LEU 672 CO 0.05 0.07 0.00 0.49 -0.00 0.00 0.00 178.44 179.05 1kfx n PHE 673 N -4.95 0.00 -0.29 1.13 3.72 0.81 -0.93 117.46 116.95 1kfx n PHE 673 Ca 0.24 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.62 1kfx n PHE 673 Cb 0.67 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 38.95 1kfx n PHE 673 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1kfx n LYS 674 N -1.50 -0.20 -0.27 -1.08 4.81 -0.22 0.31 118.16 120.02 1kfx n LYS 674 Ca 0.00 1.13 0.05 0.00 -0.87 0.00 0.00 58.31 58.63 1kfx n LYS 674 Cb 0.00 -1.68 0.20 0.00 0.02 0.00 0.00 35.03 33.57 1kfx n LYS 674 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1kfx h ILE 675 N 0.00 0.70 0.10 3.15 2.04 -0.66 1.95 117.51 124.79 1kfx h ILE 675 Ca 0.23 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1kfx h ILE 675 Cb 0.41 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1kfx h ILE 675 CO -0.73 0.10 -0.05 0.15 0.00 0.00 0.00 178.15 177.62 1kfx h PHE 676 N 0.52 -0.12 0.18 1.37 3.04 0.68 -0.95 116.94 121.66 1kfx h PHE 676 Ca 0.42 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.38 1kfx h PHE 676 Cb 0.61 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 1kfx h PHE 676 CO -0.13 0.31 -0.45 -0.22 -2.02 0.00 0.00 178.31 175.80 1kfx h LYS 677 N -0.60 -0.67 -0.55 1.11 1.63 0.26 -1.29 116.57 116.47 1kfx h LYS 677 Ca -0.01 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.92 1kfx h LYS 677 Cb 0.48 0.15 -0.11 0.00 -0.60 0.00 0.00 32.23 32.16 1kfx h LYS 677 CO 0.02 -0.45 -0.40 1.96 -3.45 0.00 0.00 179.45 177.13 1kfx h GLN 678 N -0.70 -0.22 0.00 1.90 1.08 0.30 0.13 115.11 117.60 1kfx h GLN 678 Ca -0.02 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1kfx h GLN 678 Cb 0.67 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1kfx h GLN 678 CO -0.20 -0.15 0.00 -0.07 -0.95 0.00 0.00 178.83 177.46 1kfx h LEU 679 N -0.23 0.00 -5.35 1.46 3.38 -0.85 -2.89 115.31 110.84 1kfx h LEU 679 Ca 0.19 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.47 1kfx h LEU 679 Cb 0.56 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 40.97 1kfx h LEU 679 CO -0.66 0.00 0.17 -0.67 0.09 0.00 0.00 178.44 177.37 1kfx n ASP 680 N -2.79 5.98 0.03 -0.43 4.64 0.45 -4.87 116.55 119.57 1kfx n ASP 680 Ca -0.02 -3.73 0.01 0.00 -1.38 0.00 0.00 54.79 49.67 1kfx n ASP 680 Cb 0.08 -0.82 0.05 0.00 -1.04 0.00 0.00 41.12 39.39 1kfx n ASP 680 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1kfx n PRO 681 N -0.30 0.01 -0.00 -0.67 -0.02 -1.09 -0.76 135.00 132.16 1kfx n PRO 681 Ca 0.42 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 1kfx n PRO 681 Cb 0.38 -1.87 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1kfx n PRO 681 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kfx n GLU 682 N -1.36 0.79 -2.20 -0.52 -0.58 -1.26 -5.03 120.64 110.48 1kfx n GLU 682 Ca -0.00 -0.08 -0.04 0.00 -0.42 0.00 0.00 57.16 56.62 1kfx n GLU 682 Cb 0.33 -1.21 0.02 0.00 -0.57 0.00 0.00 31.44 30.01 1kfx n GLU 682 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1kfx n ASN 683 N -1.77 -2.39 0.00 1.62 5.15 0.06 -4.97 115.26 112.95 1kfx n ASN 683 Ca -0.01 -0.16 -0.09 0.00 -0.60 0.00 0.00 54.58 53.72 1kfx n ASN 683 Cb 0.26 -1.62 -0.14 0.00 -0.53 0.00 0.00 39.78 37.75 1kfx n ASN 683 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1kfx h THR 684 N -0.39 1.04 0.00 -0.44 1.35 -1.96 -3.48 112.91 109.02 1kfx h THR 684 Ca -0.14 -2.85 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1kfx h THR 684 Cb 1.08 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1kfx h THR 684 CO 0.11 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1kfx n GLY 685 N 1.53 1.17 3.38 5.82 0.00 -1.26 -5.10 105.19 110.74 1kfx n GLY 685 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1kfx n GLY 685 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kfx s THR 686 N -2.00 0.00 -0.60 2.61 -4.23 -1.26 -5.11 115.64 105.05 1kfx s THR 686 Ca 0.00 -0.03 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1kfx s THR 686 Cb 0.00 -0.69 0.23 0.00 1.34 0.00 0.00 72.50 73.38 1kfx s THR 686 CO 0.00 -0.01 0.64 2.30 -0.54 0.00 0.00 174.62 177.00 1kfx n ILE 687 N 2.66 1.51 -1.37 2.99 -5.35 -1.26 -4.87 119.36 113.67 1kfx n ILE 687 Ca -0.14 -4.85 -0.47 0.00 -0.27 0.00 0.00 62.75 57.02 1kfx n ILE 687 Cb 0.57 -2.07 -0.03 0.00 -1.74 0.00 0.00 39.64 36.37 1kfx n ILE 687 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 1kfx n GLU 688 N 1.27 0.00 -3.59 6.28 0.00 -1.26 -5.02 120.64 118.32 1kfx n GLU 688 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.26 1kfx n GLU 688 Cb 0.42 -0.98 -0.07 0.00 0.00 0.00 0.00 31.44 30.82 1kfx n GLU 688 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1kfx s LEU 689 N 2.97 -0.18 0.66 -1.84 1.43 -1.26 -5.09 118.68 115.38 1kfx s LEU 689 Ca 0.63 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 54.24 1kfx s LEU 689 Cb -0.90 2.14 0.11 0.00 0.03 0.00 0.00 46.19 47.57 1kfx s LEU 689 CO 0.55 -0.58 0.91 1.51 0.23 0.00 0.00 176.35 178.98 1kfx s ASP 690 N -1.31 4.65 0.00 2.29 1.47 -1.26 -4.88 116.67 117.62 1kfx s ASP 690 Ca -0.11 -0.54 0.00 0.00 1.18 0.00 0.00 52.55 53.08 1kfx s ASP 690 Cb -0.02 0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.65 1kfx s ASP 690 CO 0.07 -1.65 0.81 -0.11 0.68 0.00 0.00 175.17 174.97 1kfx n LEU 691 N -2.60 0.00 -0.08 2.11 7.94 -1.26 -1.43 117.00 121.68 1kfx n LEU 691 Ca 0.15 0.81 -0.02 0.00 -1.11 0.00 0.00 56.01 55.84 1kfx n LEU 691 Cb 0.61 -0.31 -0.02 0.00 0.53 0.00 0.00 43.42 44.23 1kfx n LEU 691 CO 0.41 -0.31 0.37 -0.38 -1.11 0.00 0.00 177.39 176.37 1kfx n ILE 692 N -1.78 -0.13 -0.33 1.96 2.08 -1.26 0.68 119.36 120.58 1kfx n ILE 692 Ca 0.00 1.28 0.15 0.00 0.56 0.00 0.00 62.75 64.74 1kfx n ILE 692 Cb 0.00 -1.67 0.34 0.00 -0.75 0.00 0.00 39.64 37.56 1kfx n ILE 692 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1kfx h SER 693 N 0.00 0.52 0.27 4.38 4.64 -1.97 -0.59 113.55 120.81 1kfx h SER 693 Ca 0.03 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1kfx h SER 693 Cb 0.08 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1kfx h SER 693 CO -0.18 0.07 -0.13 -0.25 -0.87 0.00 0.00 176.83 175.47 1kfx h TRP 694 N 0.51 -0.34 -0.57 4.77 -0.00 0.14 -2.66 115.95 117.81 1kfx h TRP 694 Ca 0.60 -0.01 0.17 0.00 -0.00 0.00 0.00 58.89 59.64 1kfx h TRP 694 Cb 1.11 0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 30.36 1kfx h TRP 694 CO -0.07 -0.14 0.48 -0.07 -0.00 0.00 0.00 178.44 178.64 1kfx h LEU 695 N -0.46 0.00 0.34 0.65 3.38 0.12 0.35 115.31 119.69 1kfx h LEU 695 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1kfx h LEU 695 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1kfx h LEU 695 CO 0.06 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.43 1kfx h PHE 697 N -0.92 -1.54 -0.08 0.00 0.04 -1.27 -2.97 116.94 110.20 1kfx h PHE 697 Ca -0.05 0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1kfx h PHE 697 Cb 0.35 0.67 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1kfx h PHE 697 CO 0.02 -0.58 -0.05 0.43 -0.60 0.00 0.00 178.31 177.53 1kfx n SER 698 N -5.47 -0.09 -4.57 2.17 7.64 0.12 -2.97 113.62 110.44 1kfx n SER 698 Ca -0.08 0.21 -0.17 0.00 1.01 0.00 0.00 58.87 59.85 1kfx n SER 698 Cb 0.40 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.46 1kfx n SER 698 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1kfx s VAL 699 N -4.19 3.13 0.00 0.44 0.11 -1.09 -5.08 120.40 113.72 1kfx s VAL 699 Ca -0.01 -0.18 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1kfx s VAL 699 Cb 0.01 -3.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1kfx s VAL 699 CO 0.05 -0.24 0.00 -0.11 -3.33 0.00 0.00 175.10 171.47