#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfe n MET 12 N 0.00 0.00 -4.07 -3.83 2.81 -1.26 -5.02 117.12 105.75 3kfe n MET 12 Ca 0.00 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 3kfe n MET 12 Cb 0.00 -0.03 -0.17 0.00 -0.71 0.00 0.00 33.22 32.32 3kfe n MET 12 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3kfe s LYS 13 N -1.92 0.80 -0.01 0.03 1.02 -0.88 -5.07 119.74 113.71 3kfe s LYS 13 Ca 0.00 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 3kfe s LYS 13 Cb 0.00 -0.89 0.01 0.00 -0.52 0.00 0.00 37.83 36.43 3kfe s LYS 13 CO 0.00 -0.14 0.04 0.50 -0.92 0.00 0.00 175.35 174.83 3kfe s ARG 14 N 1.17 0.03 -0.11 1.68 3.52 -1.26 -1.07 118.95 122.91 3kfe s ARG 14 Ca -0.07 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3kfe s ARG 14 Cb -0.14 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 3kfe s ARG 14 CO -0.01 -0.02 -0.14 0.71 -0.81 0.00 0.00 175.30 175.02 3kfe s TYR 15 N 0.15 2.77 -0.15 5.12 2.02 -1.16 -4.99 117.35 121.11 3kfe s TYR 15 Ca -0.01 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 56.02 3kfe s TYR 15 Cb -0.02 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3kfe s TYR 15 CO -0.00 -0.17 0.08 -1.64 -1.57 0.00 0.00 175.55 172.25 3kfe s MET 16 N 0.18 3.68 2.91 -0.62 -1.94 -1.26 -2.94 119.30 119.31 3kfe s MET 16 Ca -0.08 -0.28 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 3kfe s MET 16 Cb -0.15 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.53 3kfe s MET 16 CO 0.05 0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.96 3kfe n GLY 17 N 2.86 2.54 0.32 -0.03 0.00 0.18 -0.68 105.19 110.38 3kfe n GLY 17 Ca -0.18 0.35 0.21 0.00 0.00 0.00 0.00 46.02 46.41 3kfe n GLY 17 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfe h ARG 18 N 0.00 0.00 0.08 1.61 3.08 -1.96 -1.32 114.38 115.87 3kfe h ARG 18 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 3kfe h ARG 18 Cb 0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 3kfe h ARG 18 CO 0.00 0.00 -0.81 -0.44 -1.07 0.00 0.00 179.97 177.65 3kfe h ASP 19 N 0.00 0.58 -0.06 7.04 3.32 -1.26 -2.35 116.42 123.68 3kfe h ASP 19 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 57.03 56.08 3kfe h ASP 19 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3kfe h ASP 19 CO 0.00 1.36 -0.36 0.00 -1.72 0.00 0.00 179.24 178.52 3kfe h ALA 20 N 0.22 0.90 -0.07 3.45 0.00 -1.28 0.21 119.26 122.71 3kfe h ALA 20 Ca -0.12 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3kfe h ALA 20 Cb 1.56 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3kfe h ALA 20 CO 0.16 0.63 -0.08 1.96 0.00 0.00 0.00 179.25 181.91 3kfe h GLN 21 N 0.47 0.17 -0.70 0.00 4.20 -1.39 -2.40 115.11 115.47 3kfe h GLN 21 Ca 0.05 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3kfe h GLN 21 Cb 0.84 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.60 3kfe h GLN 21 CO 0.07 0.63 0.42 -0.09 -0.67 0.00 0.00 178.83 179.19 3kfe h ARG 22 N -0.27 0.94 -0.16 1.46 2.43 -1.25 0.31 114.38 117.83 3kfe h ARG 22 Ca 0.01 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3kfe h ARG 22 Cb 0.60 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3kfe h ARG 22 CO 0.02 0.66 0.01 1.98 -1.51 0.00 0.00 179.97 181.13 3kfe h MET 23 N 0.96 0.06 0.01 0.20 4.05 -0.54 -1.08 114.93 118.59 3kfe h MET 23 Ca 0.25 -0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.46 3kfe h MET 23 Cb -0.04 -0.01 0.02 0.00 -0.80 0.00 0.00 31.60 30.77 3kfe h MET 23 CO -0.05 0.04 -0.82 -0.91 0.23 0.00 0.00 176.91 175.40 3kfe h ASN 24 N 0.06 0.71 -0.26 1.39 2.35 -0.78 0.33 115.58 119.39 3kfe h ASN 24 Ca 0.08 -0.76 -0.01 0.00 -0.55 0.00 0.00 56.30 55.05 3kfe h ASN 24 Cb 0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3kfe h ASN 24 CO -0.12 1.38 0.12 0.40 -1.65 0.00 0.00 177.43 177.56 3kfe h ILE 25 N 0.12 1.12 0.06 2.81 2.04 -0.44 -0.19 117.51 123.03 3kfe h ILE 25 Ca -0.10 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 3kfe h ILE 25 Cb 1.51 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3kfe h ILE 25 CO 0.16 0.14 -0.41 0.25 0.00 0.00 0.00 178.15 178.30 3kfe h LEU 26 N 0.42 0.26 -1.48 1.44 6.46 -1.06 -2.23 115.31 119.12 3kfe h LEU 26 Ca 0.11 -0.92 0.10 0.00 -0.12 0.00 0.00 57.88 57.05 3kfe h LEU 26 Cb 0.08 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 3kfe h LEU 26 CO -0.01 1.16 0.48 0.00 -0.62 0.00 0.00 178.44 179.44 3kfe h ALA 27 N 0.10 1.90 0.26 1.25 0.00 -0.67 -1.27 119.26 120.83 3kfe h ALA 27 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kfe h ALA 27 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kfe h ALA 27 CO 0.08 -0.06 -0.12 0.78 0.00 0.00 0.00 179.25 179.92 3kfe h GLY 28 N 0.57 -0.36 1.82 0.00 0.00 -1.04 -3.10 103.07 100.96 3kfe h GLY 28 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3kfe h GLY 28 CO -0.12 -0.13 0.09 3.21 0.00 0.00 0.00 176.54 179.59 3kfe h ARG 29 N -0.70 0.00 0.19 4.80 3.08 -0.62 -2.40 114.38 118.73 3kfe h ARG 29 Ca -0.04 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.69 3kfe h ARG 29 Cb 0.48 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.55 3kfe h ARG 29 CO 0.06 0.00 -1.55 0.82 -1.07 0.00 0.00 179.97 178.23 3kfe h ILE 30 N 0.00 1.18 0.00 2.04 2.04 -1.28 -0.43 117.51 121.06 3kfe h ILE 30 Ca 0.00 -2.71 0.00 0.00 1.00 0.00 0.00 64.86 63.15 3kfe h ILE 30 Cb 0.18 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3kfe h ILE 30 CO -0.00 0.84 0.00 0.16 0.00 0.00 0.00 178.15 179.15 3kfe h ILE 31 N 0.11 0.00 -0.00 -0.67 3.07 -1.45 -2.45 117.51 116.12 3kfe h ILE 31 Ca -0.27 -0.64 -0.00 0.00 1.55 0.00 0.00 64.86 65.50 3kfe h ILE 31 Cb 2.09 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 40.26 3kfe h ILE 31 CO 0.21 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.31 3kfe h ALA 32 N 2.27 0.00 0.00 0.16 0.00 -1.38 -3.13 119.26 117.19 3kfe h ALA 32 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3kfe h ALA 32 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kfe h ALA 32 CO 0.00 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.45 3kfe n GLU 33 N -4.79 0.03 0.13 0.00 1.02 -0.18 -1.75 120.64 115.10 3kfe n GLU 33 Ca -0.09 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 3kfe n GLU 33 Cb 0.30 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.49 3kfe n GLU 33 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3kfe h THR 34 N 0.00 0.00 0.00 2.62 2.02 -1.38 -3.34 112.91 112.83 3kfe h THR 34 Ca 0.00 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3kfe h THR 34 Cb 0.13 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3kfe h THR 34 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 3kfe n VAL 35 N -2.53 0.00 -0.33 3.16 0.24 -0.72 -4.62 118.33 113.53 3kfe n VAL 35 Ca 0.04 -0.39 0.36 0.00 -2.04 0.00 0.00 64.34 62.31 3kfe n VAL 35 Cb 0.47 1.03 0.69 0.00 -1.47 0.00 0.00 33.84 34.57 3kfe n VAL 35 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3kfe h ARG 36 N 0.00 0.00 -0.00 7.34 3.08 -1.55 -0.08 114.38 123.16 3kfe h ARG 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kfe h ARG 36 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3kfe h ARG 36 CO 0.00 0.00 -0.21 -1.13 -1.07 0.00 0.00 179.97 177.56 3kfe n SER 37 N -3.81 0.30 -0.50 7.04 3.41 -1.26 -3.31 113.62 115.49 3kfe n SER 37 Ca 0.27 -0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 3kfe n SER 37 Cb 1.43 -0.12 0.23 0.00 -0.26 0.00 0.00 64.21 65.49 3kfe n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kfe n THR 38 N -1.36 0.00 -2.68 6.66 -2.24 -0.04 -1.35 114.28 113.26 3kfe n THR 38 Ca 0.08 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 3kfe n THR 38 Cb 0.32 0.89 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 3kfe n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3kfe s LEU 39 N -2.31 4.18 0.00 3.22 0.20 -1.21 -4.61 118.68 118.16 3kfe s LEU 39 Ca 0.26 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.54 3kfe s LEU 39 Cb 0.19 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 3kfe s LEU 39 CO 0.46 -0.54 0.00 0.61 -0.29 0.00 0.00 176.35 176.59 3kfe n GLY 40 N 3.19 1.00 0.24 7.98 0.00 -1.26 -4.20 105.19 112.14 3kfe n GLY 40 Ca 0.10 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3kfe n GLY 40 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kfe h PRO 41 N 0.00 0.74 -1.00 1.61 0.11 -1.88 -2.87 132.00 128.71 3kfe h PRO 41 Ca 0.00 -0.43 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 3kfe h PRO 41 Cb 0.00 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.07 3kfe h PRO 41 CO 0.00 1.06 0.17 1.63 -0.21 0.00 0.00 178.00 180.65 3kfe n LYS 42 N -4.00 1.33 -4.00 1.05 4.76 -1.26 -4.16 118.16 111.88 3kfe n LYS 42 Ca -0.03 -0.80 -0.22 0.00 -2.87 0.00 0.00 58.31 54.39 3kfe n LYS 42 Cb 0.59 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 3kfe n LYS 42 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfe s GLY 43 N 0.39 1.36 0.29 0.72 0.00 -1.08 -4.14 107.32 104.85 3kfe s GLY 43 Ca 0.15 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.71 3kfe s GLY 43 CO 0.03 -1.25 0.34 1.06 0.00 0.00 0.00 173.10 173.28 3kfe s MET 44 N -3.78 3.09 0.11 2.90 -1.94 -0.46 -4.82 119.30 114.39 3kfe s MET 44 Ca 0.34 -1.01 0.01 0.00 -1.71 0.00 0.00 55.69 53.32 3kfe s MET 44 Cb -0.09 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 3kfe s MET 44 CO 0.28 0.25 0.25 -0.51 -0.01 0.00 0.00 175.02 175.28 3kfe s ASP 45 N -4.01 6.33 -0.22 3.03 1.11 -1.26 -4.03 116.67 117.62 3kfe s ASP 45 Ca 0.38 0.21 -0.08 0.00 0.18 0.00 0.00 52.55 53.25 3kfe s ASP 45 Cb -0.08 -1.92 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 3kfe s ASP 45 CO 0.28 0.11 0.08 -0.54 1.18 0.00 0.00 175.17 176.27 3kfe s LYS 46 N -2.89 3.82 -0.01 8.23 -0.14 -0.56 -4.95 119.74 123.23 3kfe s LYS 46 Ca 0.35 -0.41 -0.17 0.00 -1.36 0.00 0.00 55.97 54.38 3kfe s LYS 46 Cb -0.12 -3.30 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 3kfe s LYS 46 CO 0.28 0.02 0.46 1.41 -0.76 0.00 0.00 175.35 176.77 3kfe s MET 47 N 1.06 4.09 -0.36 1.68 -2.45 -1.26 -2.51 119.30 119.55 3kfe s MET 47 Ca 0.04 0.50 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 3kfe s MET 47 Cb -0.14 -3.28 0.14 0.00 1.25 0.00 0.00 34.83 32.80 3kfe s MET 47 CO 0.03 0.55 0.21 -1.17 1.05 0.00 0.00 175.02 175.69 3kfe s LEU 48 N -0.66 1.22 0.78 4.11 0.20 -0.44 -4.96 118.68 118.92 3kfe s LEU 48 Ca 0.26 -2.21 -0.11 0.00 0.69 0.00 0.00 54.13 52.75 3kfe s LEU 48 Cb -0.17 -0.49 0.06 0.00 -0.43 0.00 0.00 46.19 45.16 3kfe s LEU 48 CO 0.14 -0.31 1.09 -0.69 -0.29 0.00 0.00 176.35 176.29 3kfe s VAL 49 N 1.01 3.25 0.00 1.68 1.01 -1.26 -2.40 120.40 123.69 3kfe s VAL 49 Ca 0.18 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3kfe s VAL 49 Cb -0.23 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3kfe s VAL 49 CO -0.00 -0.53 0.00 -0.90 0.00 0.00 0.00 175.10 173.67 3kfe n ASP 50 N -3.36 0.00 -0.82 3.32 5.68 -0.87 -4.96 116.55 115.55 3kfe n ASP 50 Ca 0.07 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.46 3kfe n ASP 50 Cb 0.56 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.63 3kfe n ASP 50 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kfe n ASP 51 N 0.00 2.71 -0.73 -1.12 5.68 -1.26 -4.39 116.55 117.44 3kfe n ASP 51 Ca 0.00 -1.84 0.04 0.00 -0.50 0.00 0.00 54.79 52.49 3kfe n ASP 51 Cb 0.00 -0.02 0.20 0.00 -1.14 0.00 0.00 41.12 40.16 3kfe n ASP 51 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3kfe n LEU 52 N 1.13 3.36 0.00 -2.12 4.77 -1.26 -4.92 117.00 117.96 3kfe n LEU 52 Ca 0.12 -3.49 0.00 0.00 -0.03 0.00 0.00 56.01 52.61 3kfe n LEU 52 Cb 0.50 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3kfe n LEU 52 CO 0.13 1.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3kfe n GLY 53 N -1.07 0.00 3.63 -0.72 0.00 -1.26 -4.90 105.19 100.87 3kfe n GLY 53 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3kfe n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfe s ASP 54 N -1.99 6.35 0.18 1.61 1.11 -1.26 -4.85 116.67 117.82 3kfe s ASP 54 Ca 0.00 1.63 -0.00 0.00 0.18 0.00 0.00 52.55 54.35 3kfe s ASP 54 Cb 0.00 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 3kfe s ASP 54 CO 0.00 -1.28 0.36 0.54 1.18 0.00 0.00 175.17 175.96 3kfe s VAL 55 N 5.30 5.24 -0.21 -1.27 0.11 -1.26 -2.05 120.40 126.26 3kfe s VAL 55 Ca 0.72 -0.40 -0.07 0.00 -2.93 0.00 0.00 61.98 59.30 3kfe s VAL 55 Cb -0.25 -3.72 0.09 0.00 -1.53 0.00 0.00 36.38 30.97 3kfe s VAL 55 CO 0.30 -0.12 0.44 0.54 -3.33 0.00 0.00 175.10 172.92 3kfe s VAL 56 N -1.81 -0.67 -0.17 2.04 0.11 -1.01 -4.95 120.40 113.95 3kfe s VAL 56 Ca 0.38 0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.50 3kfe s VAL 56 Cb -0.11 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3kfe s VAL 56 CO 0.29 0.06 0.09 -0.69 -3.33 0.00 0.00 175.10 171.52 3kfe s VAL 57 N 2.61 5.02 0.07 2.04 1.01 -1.26 -1.33 120.40 128.55 3kfe s VAL 57 Ca -0.02 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 3kfe s VAL 57 Cb -0.12 -3.25 0.08 0.00 0.00 0.00 0.00 36.38 33.09 3kfe s VAL 57 CO -0.13 0.48 0.72 0.28 0.00 0.00 0.00 175.10 176.45 3kfe s THR 58 N 0.11 0.00 -0.85 3.92 -1.32 -1.04 -4.76 115.64 111.69 3kfe s THR 58 Ca 0.06 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.63 3kfe s THR 58 Cb -0.12 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.89 3kfe s THR 58 CO 0.00 0.00 0.63 -3.20 -2.21 0.00 0.00 174.62 169.84 3kfe n ASN 59 N -0.13 1.27 -4.64 8.08 2.85 -1.26 -1.50 115.26 119.92 3kfe n ASN 59 Ca -0.14 -1.13 -0.43 0.00 -0.11 0.00 0.00 54.58 52.76 3kfe n ASN 59 Cb 0.63 0.34 -0.02 0.00 1.24 0.00 0.00 39.78 41.96 3kfe n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3kfe s ASP 60 N -1.07 6.69 0.10 1.20 2.15 -1.26 -4.93 116.67 119.56 3kfe s ASP 60 Ca 0.08 1.53 -0.27 0.00 0.43 0.00 0.00 52.55 54.32 3kfe s ASP 60 Cb 0.07 -2.54 -0.09 0.00 -0.30 0.00 0.00 42.92 40.06 3kfe s ASP 60 CO 0.18 -1.01 1.44 1.23 -0.17 0.00 0.00 175.17 176.85 3kfe h GLY 61 N 10.65 -1.19 0.94 2.66 0.00 -1.94 -2.93 103.07 111.27 3kfe h GLY 61 Ca -0.29 0.73 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3kfe h GLY 61 CO 1.00 -0.24 0.15 -0.24 0.00 0.00 0.00 176.54 177.21 3kfe h VAL 62 N -0.36 1.16 -0.19 4.60 3.04 -1.88 -2.13 116.25 120.48 3kfe h VAL 62 Ca 0.05 -0.44 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 3kfe h VAL 62 Cb 0.50 0.86 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 3kfe h VAL 62 CO -0.46 0.16 0.01 0.71 -1.01 0.00 0.00 177.57 176.98 3kfe h THR 63 N 0.38 0.88 -0.73 3.17 1.35 -1.97 1.14 112.91 117.13 3kfe h THR 63 Ca 0.11 -0.03 0.10 0.00 -0.55 0.00 0.00 66.41 66.05 3kfe h THR 63 Cb 0.11 0.80 -0.12 0.00 -1.73 0.00 0.00 68.15 67.21 3kfe h THR 63 CO -0.01 0.01 -0.44 0.40 -0.25 0.00 0.00 175.52 175.23 3kfe h ILE 64 N 0.07 0.06 0.43 6.82 2.04 -1.31 0.36 117.51 125.98 3kfe h ILE 64 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3kfe h ILE 64 Cb 0.10 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3kfe h ILE 64 CO -0.14 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.73 3kfe h LEU 65 N -0.14 -0.49 -0.26 1.44 3.38 -0.43 -3.19 115.31 115.63 3kfe h LEU 65 Ca 0.22 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3kfe h LEU 65 Cb 0.55 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3kfe h LEU 65 CO -0.79 -0.20 -0.33 0.03 0.09 0.00 0.00 178.44 177.24 3kfe h ARG 66 N -0.79 -0.21 -1.85 1.13 3.08 0.16 -2.81 114.38 113.10 3kfe h ARG 66 Ca -0.06 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 3kfe h ARG 66 Cb 0.54 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 3kfe h ARG 66 CO 0.10 -0.14 0.12 0.39 -1.07 0.00 0.00 179.97 179.36 3kfe n GLU 67 N -4.27 1.42 -4.16 0.04 1.02 0.12 -4.67 120.64 110.14 3kfe n GLU 67 Ca -0.02 -0.71 -0.16 0.00 -0.02 0.00 0.00 57.16 56.25 3kfe n GLU 67 Cb 0.20 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 30.15 3kfe n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfe s MET 68 N -0.58 0.68 -1.04 3.49 0.23 -1.06 -4.95 119.30 116.07 3kfe s MET 68 Ca 0.19 -0.76 -0.23 0.00 -1.03 0.00 0.00 55.69 53.86 3kfe s MET 68 Cb 0.13 -0.58 0.02 0.00 -1.53 0.00 0.00 34.83 32.86 3kfe s MET 68 CO -0.01 0.13 1.65 -1.12 -2.03 0.00 0.00 175.02 173.64 3kfe s SER 69 N -1.40 6.09 -0.18 -1.18 0.01 -1.26 -4.93 113.70 110.85 3kfe s SER 69 Ca -0.04 -1.41 -0.15 0.00 1.31 0.00 0.00 55.95 55.65 3kfe s SER 69 Cb -0.09 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 3kfe s SER 69 CO 0.01 -1.89 0.37 -0.69 0.41 0.00 0.00 173.24 171.45 3kfe s VAL 70 N 6.62 5.23 -0.13 3.43 1.01 -1.26 -4.97 120.40 130.33 3kfe s VAL 70 Ca 0.55 0.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3kfe s VAL 70 Cb -0.01 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3kfe s VAL 70 CO -0.03 0.30 -0.14 -0.62 0.00 0.00 0.00 175.10 174.60 3kfe n GLU 71 N 4.16 0.30 -1.66 2.72 -0.58 -1.26 -4.85 120.64 119.46 3kfe n GLU 71 Ca -0.09 0.10 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 3kfe n GLU 71 Cb 0.51 -1.13 -0.04 0.00 -0.57 0.00 0.00 31.44 30.22 3kfe n GLU 71 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3kfe n HIS 72 N -3.19 2.16 -0.22 -0.32 -0.00 -1.26 -4.83 115.22 107.55 3kfe n HIS 72 Ca -0.24 0.34 -0.06 0.00 0.46 0.00 0.00 57.72 58.22 3kfe n HIS 72 Cb 0.71 -2.50 0.04 0.00 -0.12 0.00 0.00 29.99 28.12 3kfe n HIS 72 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3kfe h PRO 73 N 5.45 0.84 0.36 1.57 0.13 -1.99 -1.39 132.00 136.99 3kfe h PRO 73 Ca -0.45 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3kfe h PRO 73 Cb 1.27 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 3kfe h PRO 73 CO 0.85 0.58 -0.52 0.00 -0.23 0.00 0.00 178.00 178.68 3kfe h ALA 74 N 1.21 -1.10 -0.99 -0.56 0.00 -1.92 -2.51 119.26 113.38 3kfe h ALA 74 Ca 0.23 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.11 3kfe h ALA 74 Cb -0.06 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3kfe h ALA 74 CO -0.05 -1.17 0.62 0.00 0.00 0.00 0.00 179.25 178.66 3kfe h ALA 75 N -0.76 1.59 -0.38 0.00 0.00 -1.75 0.18 119.26 118.15 3kfe h ALA 75 Ca -0.04 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3kfe h ALA 75 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kfe h ALA 75 CO -0.15 0.14 0.66 0.87 0.00 0.00 0.00 179.25 180.77 3kfe h LYS 76 N 0.92 0.00 0.00 0.00 1.57 -0.79 -1.02 116.57 117.24 3kfe h LYS 76 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3kfe h LYS 76 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3kfe h LYS 76 CO -0.27 0.00 -1.50 -1.33 -0.57 0.00 0.00 179.45 175.78 3kfe n MET 77 N -3.22 0.44 0.20 3.15 2.81 0.63 -3.48 117.12 117.65 3kfe n MET 77 Ca 0.07 -0.10 0.08 0.00 -1.81 0.00 0.00 57.70 55.94 3kfe n MET 77 Cb 0.80 -1.49 0.31 0.00 -0.71 0.00 0.00 33.22 32.13 3kfe n MET 77 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3kfe h LEU 78 N 0.00 0.00 -1.00 4.03 4.07 -1.18 -2.86 115.31 118.37 3kfe h LEU 78 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3kfe h LEU 78 Cb 0.74 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 3kfe h LEU 78 CO 0.00 0.29 -0.03 0.40 -1.08 0.00 0.00 178.44 178.02 3kfe h ILE 79 N 0.00 0.07 -0.43 1.22 2.04 -1.52 -1.66 117.51 117.22 3kfe h ILE 79 Ca -0.00 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3kfe h ILE 79 Cb 0.96 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 3kfe h ILE 79 CO 0.04 0.03 0.27 -0.33 0.00 0.00 0.00 178.15 178.16 3kfe h GLU 80 N 0.00 0.54 -0.28 2.37 4.39 -1.54 -1.27 114.58 118.79 3kfe h GLU 80 Ca -0.00 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kfe h GLU 80 Cb 0.69 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 3kfe h GLU 80 CO 0.00 0.35 0.17 0.28 -1.16 0.00 0.00 179.01 178.66 3kfe h VAL 81 N 0.55 1.05 -0.20 3.13 2.07 -1.39 -1.85 116.25 119.61 3kfe h VAL 81 Ca 0.17 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 3kfe h VAL 81 Cb -0.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kfe h VAL 81 CO -0.06 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.32 3kfe h ALA 82 N 1.12 1.16 0.00 1.67 0.00 -1.41 -1.43 119.26 120.36 3kfe h ALA 82 Ca 0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3kfe h ALA 82 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kfe h ALA 82 CO -0.04 0.54 -0.47 -0.22 0.00 0.00 0.00 179.25 179.06 3kfe h LYS 83 N 0.34 0.00 0.00 0.00 3.64 -0.51 -2.50 116.57 117.54 3kfe h LYS 83 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3kfe h LYS 83 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 3kfe h LYS 83 CO 0.05 0.47 -1.53 0.25 -2.27 0.00 0.00 179.45 176.42 3kfe n THR 84 N -3.68 0.10 0.01 1.00 -2.24 -0.76 -3.29 114.28 105.42 3kfe n THR 84 Ca -0.01 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.28 3kfe n THR 84 Cb 0.54 0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 3kfe n THR 84 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3kfe h GLN 85 N 0.00 0.02 -0.34 -0.78 5.75 -1.07 -1.43 115.11 117.26 3kfe h GLN 85 Ca 0.00 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3kfe h GLN 85 Cb 0.86 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.39 3kfe h GLN 85 CO 0.00 0.21 0.22 1.05 -2.65 0.00 0.00 178.83 177.66 3kfe h GLU 86 N -0.17 0.41 -0.14 1.69 4.11 -1.58 0.56 114.58 119.45 3kfe h GLU 86 Ca 0.00 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 3kfe h GLU 86 Cb 0.20 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kfe h GLU 86 CO -0.00 0.27 -0.63 -0.22 0.07 0.00 0.00 179.01 178.50 3kfe h LYS 87 N 0.42 0.51 -0.01 1.06 1.63 -1.49 -3.26 116.57 115.44 3kfe h LYS 87 Ca 0.13 -0.36 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 3kfe h LYS 87 Cb -0.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3kfe h LYS 87 CO -0.03 0.98 -0.24 0.39 -3.45 0.00 0.00 179.45 177.10 3kfe n GLU 88 N -3.91 1.61 0.00 1.90 -0.58 -0.56 -4.89 120.64 114.21 3kfe n GLU 88 Ca -0.04 -0.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 3kfe n GLU 88 Cb 0.65 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 3kfe n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kfe n VAL 89 N 0.11 0.00 0.00 2.62 0.31 0.13 -5.02 118.33 116.48 3kfe n VAL 89 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3kfe n VAL 89 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3kfe n VAL 89 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kfe n GLY 90 N 1.01 4.43 3.84 2.92 0.00 -1.21 -4.34 105.19 111.84 3kfe n GLY 90 Ca 0.00 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3kfe n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfe s ASP 91 N -0.01 4.82 -0.97 1.61 2.15 -1.26 -4.64 116.67 118.36 3kfe s ASP 91 Ca 0.00 -0.91 -0.04 0.00 0.43 0.00 0.00 52.55 52.03 3kfe s ASP 91 Cb 0.00 -0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.21 3kfe s ASP 91 CO 0.00 -0.69 0.55 0.61 -0.17 0.00 0.00 175.17 175.47 3kfe n GLY 92 N -1.49 -0.07 0.14 2.66 0.00 -1.26 -4.82 105.19 100.34 3kfe n GLY 92 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 3kfe n GLY 92 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kfe h THR 93 N -1.26 1.36 -0.20 2.61 1.35 -1.90 -3.19 112.91 111.69 3kfe h THR 93 Ca -0.36 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 3kfe h THR 93 Cb 1.24 3.10 -0.01 0.00 -1.73 0.00 0.00 68.15 70.75 3kfe h THR 93 CO 0.37 0.78 0.12 0.74 -0.25 0.00 0.00 175.52 177.28 3kfe h THR 94 N -0.03 1.04 -0.06 6.82 2.02 -1.92 -2.87 112.91 117.91 3kfe h THR 94 Ca -0.22 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3kfe h THR 94 Cb 1.98 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 3kfe h THR 94 CO 0.23 0.05 -0.14 0.71 0.37 0.00 0.00 175.52 176.74 3kfe h THR 95 N 0.25 1.14 -0.27 3.16 1.35 -1.97 0.13 112.91 116.70 3kfe h THR 95 Ca 0.07 -0.64 -0.10 0.00 -0.55 0.00 0.00 66.41 65.20 3kfe h THR 95 Cb -0.02 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3kfe h THR 95 CO -0.02 0.19 -0.22 0.00 -0.25 0.00 0.00 175.52 175.22 3kfe h ALA 96 N 1.77 0.39 -0.36 6.62 0.00 -1.52 -1.85 119.26 124.30 3kfe h ALA 96 Ca 0.02 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 3kfe h ALA 96 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kfe h ALA 96 CO 0.02 0.35 -0.08 0.28 0.00 0.00 0.00 179.25 179.81 3kfe h VAL 97 N 0.35 1.28 0.18 0.00 2.07 -1.25 -2.59 116.25 116.28 3kfe h VAL 97 Ca 0.05 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3kfe h VAL 97 Cb 0.77 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3kfe h VAL 97 CO 0.06 0.38 -0.10 0.58 0.02 0.00 0.00 177.57 178.50 3kfe h VAL 98 N 0.48 0.78 -0.65 2.57 2.07 -0.70 -1.23 116.25 119.57 3kfe h VAL 98 Ca 0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3kfe h VAL 98 Cb 0.59 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3kfe h VAL 98 CO 0.03 0.00 0.32 0.58 0.02 0.00 0.00 177.57 178.52 3kfe h VAL 99 N -0.27 0.87 -0.51 2.57 2.07 -1.43 -1.83 116.25 117.71 3kfe h VAL 99 Ca -0.02 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3kfe h VAL 99 Cb 0.22 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3kfe h VAL 99 CO 0.02 0.10 0.34 0.00 0.02 0.00 0.00 177.57 178.06 3kfe h ALA 100 N 1.39 1.98 -0.12 1.67 0.00 -1.00 0.26 119.26 123.45 3kfe h ALA 100 Ca 0.31 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3kfe h ALA 100 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kfe h ALA 100 CO -0.24 -0.08 -0.26 0.78 0.00 0.00 0.00 179.25 179.44 3kfe h GLY 101 N 0.38 0.43 2.00 0.00 0.00 -0.49 -3.06 103.07 102.34 3kfe h GLY 101 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3kfe h GLY 101 CO -0.06 0.46 0.00 -2.21 0.00 0.00 0.00 176.54 174.74 3kfe n GLU 102 N -4.45 0.21 0.11 4.80 4.07 0.27 -0.99 120.64 124.66 3kfe n GLU 102 Ca -0.07 0.33 -0.20 0.00 -0.06 0.00 0.00 57.16 57.16 3kfe n GLU 102 Cb 0.45 -1.83 -0.13 0.00 -0.06 0.00 0.00 31.44 29.86 3kfe n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3kfe h LEU 103 N 0.00 0.72 -0.86 4.31 3.38 -0.62 -2.83 115.31 119.40 3kfe h LEU 103 Ca 0.00 -0.71 -0.07 0.00 0.09 0.00 0.00 57.88 57.19 3kfe h LEU 103 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3kfe h LEU 103 CO 0.00 1.54 0.03 -0.07 0.09 0.00 0.00 178.44 180.03 3kfe h LEU 104 N 0.18 0.84 0.26 1.67 3.38 -1.05 0.28 115.31 120.87 3kfe h LEU 104 Ca -0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3kfe h LEU 104 Cb 1.97 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3kfe h LEU 104 CO 0.23 0.89 -0.13 -0.09 0.09 0.00 0.00 178.44 179.43 3kfe h ARG 105 N 0.82 -0.34 0.00 1.13 2.43 -1.12 -2.51 114.38 114.78 3kfe h ARG 105 Ca 0.16 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3kfe h ARG 105 Cb 0.44 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3kfe h ARG 105 CO 0.02 -0.19 -0.17 0.87 -1.51 0.00 0.00 179.97 178.98 3kfe h LYS 106 N -0.41 0.00 -0.13 0.20 1.79 -1.44 -2.82 116.57 113.76 3kfe h LYS 106 Ca -0.04 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3kfe h LYS 106 Cb 0.31 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3kfe h LYS 106 CO 0.06 0.17 -0.24 0.00 -1.08 0.00 0.00 179.45 178.36 3kfe h ALA 107 N 1.83 1.36 0.00 3.86 0.00 -0.49 -2.65 119.26 123.16 3kfe h ALA 107 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kfe h ALA 107 Cb 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kfe h ALA 107 CO 0.02 0.44 -0.29 -0.85 0.00 0.00 0.00 179.25 178.58 3kfe n GLU 108 N -4.18 0.21 0.21 0.00 0.28 -1.06 -2.45 120.64 113.66 3kfe n GLU 108 Ca -0.01 0.12 0.07 0.00 -0.16 0.00 0.00 57.16 57.18 3kfe n GLU 108 Cb 0.35 -1.69 0.46 0.00 1.43 0.00 0.00 31.44 31.99 3kfe n GLU 108 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kfe h GLU 109 N 0.00 0.00 0.03 3.44 5.08 -1.53 -0.74 114.58 120.86 3kfe h GLU 109 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3kfe h GLU 109 Cb 0.68 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3kfe h GLU 109 CO 0.00 0.29 -1.70 -0.07 -1.00 0.00 0.00 179.01 176.53 3kfe h LEU 110 N 0.00 0.09 -0.56 1.33 3.38 -1.56 -3.29 115.31 114.70 3kfe h LEU 110 Ca -0.00 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 3kfe h LEU 110 Cb 0.68 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3kfe h LEU 110 CO 0.04 1.17 -0.60 -0.07 0.09 0.00 0.00 178.44 179.07 3kfe h LEU 111 N 0.02 0.45 -0.28 1.67 3.38 -1.32 -1.15 115.31 118.08 3kfe h LEU 111 Ca -0.29 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3kfe h LEU 111 Cb 2.00 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.62 3kfe h LEU 111 CO 0.09 0.95 0.00 0.47 0.09 0.00 0.00 178.44 180.04 3kfe n ASP 112 N -3.90 0.41 -0.40 -0.43 9.92 -0.30 -1.09 116.55 120.76 3kfe n ASP 112 Ca -0.03 -1.67 0.04 0.00 -0.53 0.00 0.00 54.79 52.60 3kfe n ASP 112 Cb 0.63 -0.04 0.11 0.00 -0.64 0.00 0.00 41.12 41.18 3kfe n ASP 112 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kfe n GLN 113 N -0.43 2.80 -2.03 -1.24 6.02 -0.77 -5.00 117.38 116.73 3kfe n GLN 113 Ca 0.10 -2.00 -0.14 0.00 -0.01 0.00 0.00 57.00 54.96 3kfe n GLN 113 Cb 0.11 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 3kfe n GLN 113 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kfe n ASN 114 N -0.11 -4.32 -4.74 1.08 3.02 -0.25 -5.00 115.26 104.95 3kfe n ASN 114 Ca 0.09 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 3kfe n ASN 114 Cb 0.44 -3.37 -0.04 0.00 -0.61 0.00 0.00 39.78 36.20 3kfe n ASN 114 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kfe s VAL 115 N -2.63 3.72 0.32 2.41 1.01 -0.51 -5.00 120.40 119.72 3kfe s VAL 115 Ca 0.00 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 3kfe s VAL 115 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 3kfe s VAL 115 CO 0.00 0.29 1.34 -2.28 0.00 0.00 0.00 175.10 174.45 3kfe s HIS 116 N -0.44 3.00 0.25 5.22 2.46 -1.26 -4.51 115.29 120.02 3kfe s HIS 116 Ca 0.49 1.34 -0.03 0.00 0.47 0.00 0.00 55.06 57.33 3kfe s HIS 116 Cb -0.31 -3.73 0.51 0.00 -0.13 0.00 0.00 32.58 28.93 3kfe s HIS 116 CO 0.37 -2.06 1.72 -1.35 -2.47 0.00 0.00 174.74 170.94 3kfe h PRO 117 N 3.59 0.40 0.00 2.88 0.11 -1.94 -1.41 132.00 135.63 3kfe h PRO 117 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kfe h PRO 117 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kfe h PRO 117 CO 0.67 0.26 0.00 1.79 -0.21 0.00 0.00 178.00 180.51 3kfe h THR 118 N 0.41 0.00 0.22 -1.15 1.35 -1.90 -0.14 112.91 111.70 3kfe h THR 118 Ca 0.44 -0.23 -0.33 0.00 -0.55 0.00 0.00 66.41 65.74 3kfe h THR 118 Cb 0.72 1.03 0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3kfe h THR 118 CO -0.45 0.00 -1.56 0.40 -0.25 0.00 0.00 175.52 173.67 3kfe h ILE 119 N 0.00 1.15 0.36 6.82 1.08 -1.64 -2.74 117.51 122.54 3kfe h ILE 119 Ca 0.00 -2.61 -0.01 0.00 -0.39 0.00 0.00 64.86 61.85 3kfe h ILE 119 Cb 0.28 2.93 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 3kfe h ILE 119 CO 0.00 0.82 -0.23 0.58 -0.69 0.00 0.00 178.15 178.63 3kfe h VAL 120 N 0.09 0.52 0.00 1.67 2.07 -0.79 -1.55 116.25 118.26 3kfe h VAL 120 Ca -0.29 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kfe h VAL 120 Cb 2.11 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kfe h VAL 120 CO 0.23 0.00 -0.06 1.62 0.02 0.00 0.00 177.57 179.38 3kfe h VAL 121 N -0.57 0.27 -0.02 2.57 3.04 -1.19 0.66 116.25 121.01 3kfe h VAL 121 Ca -0.04 -0.38 -0.01 0.00 -1.01 0.00 0.00 66.70 65.27 3kfe h VAL 121 Cb 0.48 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.04 3kfe h VAL 121 CO 0.03 0.05 -0.02 0.50 -1.01 0.00 0.00 177.57 177.12 3kfe h LYS 122 N 0.00 0.04 0.00 4.17 3.64 -1.14 -2.73 116.57 120.56 3kfe h LYS 122 Ca -0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3kfe h LYS 122 Cb 0.28 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3kfe h LYS 122 CO 0.01 0.56 -0.52 0.78 -2.27 0.00 0.00 179.45 178.01 3kfe h GLY 123 N -0.48 0.00 1.07 5.01 0.00 -0.23 -0.87 103.07 107.58 3kfe h GLY 123 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3kfe h GLY 123 CO 0.01 0.00 -0.27 -0.97 0.00 0.00 0.00 176.54 175.30 3kfe h TYR 124 N 0.00 1.05 -0.24 5.60 0.99 -1.01 -2.49 116.97 120.88 3kfe h TYR 124 Ca -0.01 -0.28 -0.01 0.00 2.00 0.00 0.00 58.73 60.44 3kfe h TYR 124 Cb 1.07 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.56 3kfe h TYR 124 CO 0.00 1.08 0.12 0.37 -0.00 0.00 0.00 178.16 179.73 3kfe h GLN 125 N 0.71 0.34 -0.90 4.88 4.15 -1.13 -0.19 115.11 122.96 3kfe h GLN 125 Ca 0.08 -0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.59 3kfe h GLN 125 Cb 0.85 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.40 3kfe h GLN 125 CO 0.07 0.33 0.58 0.00 -1.93 0.00 0.00 178.83 177.88 3kfe h ALA 126 N 0.99 1.75 0.07 3.38 0.00 -1.08 0.73 119.26 125.10 3kfe h ALA 126 Ca 0.08 0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 3kfe h ALA 126 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kfe h ALA 126 CO -0.01 0.02 -1.38 0.00 0.00 0.00 0.00 179.25 177.88 3kfe h ALA 127 N 1.58 0.35 -0.59 0.00 0.00 -1.07 -2.72 119.26 116.81 3kfe h ALA 127 Ca 0.45 -1.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3kfe h ALA 127 Cb 0.62 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3kfe h ALA 127 CO -0.21 1.22 0.20 0.00 0.00 0.00 0.00 179.25 180.46 3kfe h ALA 128 N 0.71 1.23 0.20 0.00 0.00 -0.12 0.11 119.26 121.39 3kfe h ALA 128 Ca -0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3kfe h ALA 128 Cb 1.95 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3kfe h ALA 128 CO 0.15 0.55 -0.10 0.37 0.00 0.00 0.00 179.25 180.22 3kfe h GLN 129 N 0.86 -0.26 -0.13 0.00 5.75 -0.85 -2.82 115.11 117.67 3kfe h GLN 129 Ca 0.20 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3kfe h GLN 129 Cb 0.23 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3kfe h GLN 129 CO -0.01 -0.12 0.08 -0.22 -2.65 0.00 0.00 178.83 175.90 3kfe h LYS 130 N -0.33 0.17 0.00 1.69 1.63 -1.14 -2.32 116.57 116.27 3kfe h LYS 130 Ca -0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3kfe h LYS 130 Cb 0.25 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3kfe h LYS 130 CO 0.05 0.17 0.00 0.00 -3.45 0.00 0.00 179.45 176.21 3kfe h ALA 131 N 1.00 1.00 -0.11 5.00 0.00 -0.77 0.10 119.26 125.48 3kfe h ALA 131 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3kfe h ALA 131 Cb 0.04 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kfe h ALA 131 CO -0.01 0.00 -0.84 1.96 0.00 0.00 0.00 179.25 180.36 3kfe h GLN 132 N 0.00 0.77 0.00 0.00 1.08 -1.15 -2.54 115.11 113.27 3kfe h GLN 132 Ca 0.00 -0.68 0.00 0.00 -1.45 0.00 0.00 58.65 56.52 3kfe h GLN 132 Cb 0.15 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3kfe h GLN 132 CO 0.00 1.27 -0.75 1.05 -0.95 0.00 0.00 178.83 179.45 3kfe h GLU 133 N 0.50 0.00 0.00 1.46 4.11 -1.34 -3.00 114.58 116.30 3kfe h GLU 133 Ca -0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 3kfe h GLU 133 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3kfe h GLU 133 CO 0.17 0.00 -0.22 -0.07 0.07 0.00 0.00 179.01 178.96 3kfe h LEU 134 N 0.00 0.00 0.10 3.06 3.38 -0.83 -3.04 115.31 117.99 3kfe h LEU 134 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3kfe h LEU 134 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3kfe h LEU 134 CO 0.00 0.22 -1.21 -0.07 0.09 0.00 0.00 178.44 177.47 3kfe h LEU 135 N 0.00 0.34 -0.95 1.67 3.38 -1.47 -3.26 115.31 115.02 3kfe h LEU 135 Ca -0.00 -0.85 0.29 0.00 0.09 0.00 0.00 57.88 57.41 3kfe h LEU 135 Cb 0.69 -0.11 -0.16 0.00 0.09 0.00 0.00 40.66 41.18 3kfe h LEU 135 CO 0.03 1.53 0.31 0.11 0.09 0.00 0.00 178.44 180.51 3kfe h LYS 136 N -0.41 0.15 0.00 1.13 1.57 -1.41 0.15 116.57 117.74 3kfe h LYS 136 Ca -0.26 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3kfe h LYS 136 Cb 1.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 3kfe h LYS 136 CO 0.05 0.10 -0.55 1.79 -0.57 0.00 0.00 179.45 180.27 3kfe h THR 137 N 0.15 0.46 -0.58 -0.16 1.35 -1.67 -3.29 112.91 109.17 3kfe h THR 137 Ca 0.65 -1.69 -0.13 0.00 -0.55 0.00 0.00 66.41 64.69 3kfe h THR 137 Cb 1.44 2.13 -0.08 0.00 -1.73 0.00 0.00 68.15 69.92 3kfe h THR 137 CO -0.72 0.26 0.14 2.30 -0.25 0.00 0.00 175.52 177.25 3kfe n ILE 138 N -3.07 2.75 -3.77 6.82 -5.35 0.50 -4.89 119.36 112.36 3kfe n ILE 138 Ca 0.01 -1.74 -0.37 0.00 -0.27 0.00 0.00 62.75 60.38 3kfe n ILE 138 Cb 0.67 -0.32 -0.13 0.00 -1.74 0.00 0.00 39.64 38.12 3kfe n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kfe s ALA 139 N -2.95 3.10 0.50 -1.28 0.00 -1.01 -4.87 121.76 115.25 3kfe s ALA 139 Ca 0.52 -1.26 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 3kfe s ALA 139 Cb 0.42 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 3kfe s ALA 139 CO 0.12 -0.66 1.30 0.00 0.00 0.00 0.00 175.76 176.52 3kfe s GLU 141 N -2.77 3.74 0.00 0.00 0.41 -1.26 -1.43 118.70 117.39 3kfe s GLU 141 Ca 0.67 0.55 -0.14 0.00 -0.41 0.00 0.00 54.97 55.64 3kfe s GLU 141 Cb -0.37 -2.30 0.02 0.00 -1.78 0.00 0.00 34.13 29.71 3kfe s GLU 141 CO 0.44 -0.19 0.30 0.08 -0.49 0.00 0.00 175.26 175.40 3kfe s VAL 142 N -2.60 0.07 -0.00 2.63 1.01 0.82 -4.88 120.40 117.44 3kfe s VAL 142 Ca 0.52 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3kfe s VAL 142 Cb -0.10 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3kfe s VAL 142 CO 0.37 -0.31 0.96 -0.83 0.00 0.00 0.00 175.10 175.30 3kfe s GLY 143 N -1.55 2.90 0.27 4.51 0.00 -1.26 -4.72 107.32 107.45 3kfe s GLY 143 Ca -0.11 0.52 0.11 0.00 0.00 0.00 0.00 44.72 45.24 3kfe s GLY 143 CO 0.02 1.66 1.23 0.00 0.00 0.00 0.00 173.10 176.01 3kfe n ALA 144 N 3.88 0.64 -0.47 3.20 0.00 -1.26 0.51 120.51 127.01 3kfe n ALA 144 Ca 0.06 0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.61 3kfe n ALA 144 Cb 0.51 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 19.19 3kfe n ALA 144 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kfe n GLN 145 N -1.94 1.82 -1.06 0.00 7.27 -1.26 -4.69 117.38 117.52 3kfe n GLN 145 Ca -0.01 -1.25 -0.27 0.00 0.07 0.00 0.00 57.00 55.54 3kfe n GLN 145 Cb 0.29 -0.86 -0.11 0.00 2.41 0.00 0.00 30.24 31.96 3kfe n GLN 145 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3kfe n ASP 146 N -0.40 0.99 0.00 1.69 4.64 0.18 -4.65 116.55 119.01 3kfe n ASP 146 Ca 0.01 -2.39 0.04 0.00 -1.38 0.00 0.00 54.79 51.07 3kfe n ASP 146 Cb 0.38 -1.09 0.21 0.00 -1.04 0.00 0.00 41.12 39.58 3kfe n ASP 146 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 3kfe n LYS 147 N 7.80 0.13 -0.05 -0.67 4.81 -1.26 -1.38 118.16 127.55 3kfe n LYS 147 Ca 0.41 0.18 -0.21 0.00 -0.87 0.00 0.00 58.31 57.83 3kfe n LYS 147 Cb 0.44 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.86 3kfe n LYS 147 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3kfe h GLU 148 N 0.00 0.11 -0.32 1.64 4.81 -1.97 -3.33 114.58 115.52 3kfe h GLU 148 Ca 0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 3kfe h GLU 148 Cb 0.07 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3kfe h GLU 148 CO 0.00 1.09 -0.08 0.82 -0.73 0.00 0.00 179.01 180.12 3kfe h ILE 149 N -0.64 1.28 -1.25 2.32 2.04 -1.62 -2.26 117.51 117.38 3kfe h ILE 149 Ca -0.30 -1.12 0.36 0.00 1.00 0.00 0.00 64.86 64.80 3kfe h ILE 149 Cb 1.51 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3kfe h ILE 149 CO -0.06 0.36 0.89 -0.07 0.00 0.00 0.00 178.15 179.27 3kfe h LEU 150 N 0.40 0.06 0.00 1.44 3.38 -1.49 -0.07 115.31 119.02 3kfe h LEU 150 Ca 0.08 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3kfe h LEU 150 Cb 0.57 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3kfe h LEU 150 CO 0.03 0.00 -1.04 0.74 0.09 0.00 0.00 178.44 178.27 3kfe h THR 151 N 0.05 0.31 0.00 0.22 2.02 -1.52 -2.02 112.91 111.97 3kfe h THR 151 Ca 0.61 -1.57 -0.15 0.00 0.77 0.00 0.00 66.41 66.08 3kfe h THR 151 Cb 2.34 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 70.60 3kfe h THR 151 CO -0.05 0.18 -0.70 0.11 0.37 0.00 0.00 175.52 175.42 3kfe h LYS 152 N 0.00 0.00 -0.11 6.66 1.57 -0.73 -2.43 116.57 121.53 3kfe h LYS 152 Ca -0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3kfe h LYS 152 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3kfe h LYS 152 CO 0.03 0.70 -0.44 0.82 -0.57 0.00 0.00 179.45 180.00 3kfe h ILE 153 N 0.00 1.37 0.00 1.86 2.04 -1.08 -2.02 117.51 119.68 3kfe h ILE 153 Ca -0.01 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.10 3kfe h ILE 153 Cb 1.26 2.16 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3kfe h ILE 153 CO 0.09 0.53 0.00 0.00 0.00 0.00 0.00 178.15 178.77 3kfe h ALA 154 N 0.49 1.00 0.02 1.87 0.00 -1.41 -2.62 119.26 118.61 3kfe h ALA 154 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 3kfe h ALA 154 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 3kfe h ALA 154 CO 0.09 0.00 -1.71 1.98 0.00 0.00 0.00 179.25 179.61 3kfe h MET 155 N 0.00 0.05 0.00 0.00 1.85 -1.40 -3.17 114.93 112.25 3kfe h MET 155 Ca 0.00 -0.08 -0.08 0.00 -0.61 0.00 0.00 59.70 58.93 3kfe h MET 155 Cb 0.53 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.58 3kfe h MET 155 CO 0.00 0.64 -0.36 1.15 -0.40 0.00 0.00 176.91 177.94 3kfe h THR 156 N 0.01 0.86 -0.01 -0.77 2.02 -1.16 -2.82 112.91 111.04 3kfe h THR 156 Ca -0.29 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.38 3kfe h THR 156 Cb 2.01 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.33 3kfe h THR 156 CO 0.09 0.36 -0.08 -1.28 0.37 0.00 0.00 175.52 174.97 3kfe h SER 157 N 0.00 0.09 -0.12 4.18 0.87 -1.56 -3.35 113.55 113.65 3kfe h SER 157 Ca -0.00 -0.70 -0.00 0.00 -1.23 0.00 0.00 61.79 59.86 3kfe h SER 157 Cb 0.89 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 3kfe h SER 157 CO 0.05 0.77 0.07 0.40 -0.53 0.00 0.00 176.83 177.59 3kfe h ILE 158 N -0.59 1.10 -3.49 2.23 2.04 -1.56 -3.39 117.51 113.85 3kfe h ILE 158 Ca -0.01 -0.28 -0.52 0.00 1.00 0.00 0.00 64.86 65.05 3kfe h ILE 158 Cb 0.78 1.06 0.21 0.00 -0.74 0.00 0.00 36.82 38.13 3kfe h ILE 158 CO 0.02 0.09 -0.41 0.41 0.00 0.00 0.00 178.15 178.26 3kfe n THR 159 N -4.94 0.00 0.00 -0.27 -1.04 -1.07 -1.83 114.28 105.13 3kfe n THR 159 Ca -0.05 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3kfe n THR 159 Cb 0.08 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3kfe n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kfe n GLY 160 N 1.23 2.77 1.85 3.41 0.00 -1.26 -4.59 105.19 108.59 3kfe n GLY 160 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3kfe n GLY 160 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kfe n LYS 161 N -0.25 2.40 -0.01 1.61 5.02 -0.76 -4.19 118.16 121.98 3kfe n LYS 161 Ca 0.00 -2.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 3kfe n LYS 161 Cb 0.00 -1.93 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 3kfe n LYS 161 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfe n GLY 162 N -0.47 0.84 0.33 0.72 0.00 -1.26 -4.64 105.19 100.71 3kfe n GLY 162 Ca 0.40 -1.30 0.22 0.00 0.00 0.00 0.00 46.02 45.33 3kfe n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe h ALA 163 N 0.00 1.01 -0.00 4.61 0.00 -1.87 -2.62 119.26 120.39 3kfe h ALA 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kfe h ALA 163 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kfe h ALA 163 CO 0.00 -0.01 -0.21 -0.85 0.00 0.00 0.00 179.25 178.18 3kfe n GLU 164 N -3.03 0.27 0.01 0.00 0.00 -1.26 -2.33 120.64 114.29 3kfe n GLU 164 Ca -0.03 -0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.15 3kfe n GLU 164 Cb 0.08 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.22 3kfe n GLU 164 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3kfe n LYS 165 N -1.28 0.08 -0.24 3.44 5.02 -0.99 -4.56 118.16 119.63 3kfe n LYS 165 Ca 0.09 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3kfe n LYS 165 Cb 0.32 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3kfe n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kfe n ALA 166 N -1.59 2.78 -1.67 7.82 0.00 -0.99 -4.89 120.51 121.99 3kfe n ALA 166 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 53.01 3kfe n ALA 166 Cb 0.36 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 3kfe n ALA 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kfe n LYS 167 N 1.59 2.04 -0.13 0.00 3.00 -1.26 -4.87 118.16 118.53 3kfe n LYS 167 Ca 0.00 0.74 -0.08 0.00 -0.00 0.00 0.00 58.31 58.97 3kfe n LYS 167 Cb 0.28 -2.52 0.01 0.00 0.00 0.00 0.00 35.03 32.79 3kfe n LYS 167 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3kfe h GLU 168 N 6.94 0.50 0.00 1.64 4.39 -1.99 -1.95 114.58 124.10 3kfe h GLU 168 Ca -0.46 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3kfe h GLU 168 Cb 1.27 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3kfe h GLU 168 CO 0.90 0.33 0.00 1.63 -1.16 0.00 0.00 179.01 180.71 3kfe n LYS 169 N -4.83 0.85 -0.13 2.33 5.02 -1.26 -2.60 118.16 117.55 3kfe n LYS 169 Ca 0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 3kfe n LYS 169 Cb 0.04 -1.12 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 3kfe n LYS 169 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3kfe n LEU 170 N -0.62 2.76 0.10 -0.35 7.94 -0.74 -3.59 117.00 122.49 3kfe n LEU 170 Ca 0.05 -0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 54.70 3kfe n LEU 170 Cb 0.02 -0.81 -0.06 0.00 0.53 0.00 0.00 43.42 43.11 3kfe n LEU 170 CO 0.04 0.91 0.76 0.00 -1.11 0.00 0.00 177.39 177.98 3kfe h ALA 171 N 0.08 -0.28 -0.76 1.96 0.00 -1.40 -2.53 119.26 116.32 3kfe h ALA 171 Ca -0.58 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 54.45 3kfe h ALA 171 Cb 1.93 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.88 3kfe h ALA 171 CO -0.08 -0.69 0.32 0.93 0.00 0.00 0.00 179.25 179.73 3kfe h GLU 172 N -0.33 0.45 -0.48 0.00 5.08 -1.72 -0.69 114.58 116.89 3kfe h GLU 172 Ca 0.02 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3kfe h GLU 172 Cb 0.34 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3kfe h GLU 172 CO -0.09 0.30 0.27 0.82 -1.00 0.00 0.00 179.01 179.31 3kfe h ILE 173 N 0.46 1.02 0.25 3.13 2.04 -1.55 -2.32 117.51 120.54 3kfe h ILE 173 Ca 0.42 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 3kfe h ILE 173 Cb 0.63 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3kfe h ILE 173 CO -0.40 0.10 -0.12 0.40 0.00 0.00 0.00 178.15 178.13 3kfe h ILE 174 N 0.54 0.80 -0.16 -0.67 2.04 -0.75 -1.21 117.51 118.10 3kfe h ILE 174 Ca 0.20 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3kfe h ILE 174 Cb 0.06 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 3kfe h ILE 174 CO -0.11 0.06 -0.40 0.58 0.00 0.00 0.00 178.15 178.28 3kfe h VAL 175 N -0.46 0.17 -0.89 1.67 2.07 -1.27 0.16 116.25 117.70 3kfe h VAL 175 Ca -0.03 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.67 3kfe h VAL 175 Cb 0.35 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.19 3kfe h VAL 175 CO 0.06 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 178.02 3kfe h GLU 176 N -0.45 0.56 0.00 1.57 4.81 -1.27 -0.27 114.58 119.52 3kfe h GLU 176 Ca 0.09 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3kfe h GLU 176 Cb 0.60 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3kfe h GLU 176 CO -0.40 0.37 -0.45 0.00 -0.73 0.00 0.00 179.01 177.80 3kfe h ALA 177 N 1.62 0.75 0.07 2.92 0.00 0.28 -2.17 119.26 122.74 3kfe h ALA 177 Ca 0.52 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 3kfe h ALA 177 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3kfe h ALA 177 CO -0.42 0.56 -1.34 0.28 0.00 0.00 0.00 179.25 178.33 3kfe h VAL 178 N 0.00 1.35 -0.22 0.00 2.07 -0.27 -3.31 116.25 115.86 3kfe h VAL 178 Ca -0.00 -3.03 -0.06 0.00 0.82 0.00 0.00 66.70 64.43 3kfe h VAL 178 Cb 1.26 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.79 3kfe h VAL 178 CO 0.06 0.83 -0.13 0.28 0.02 0.00 0.00 177.57 178.64 3kfe h SER 179 N 0.04 0.35 -0.13 0.57 0.02 -0.86 -3.04 113.55 110.50 3kfe h SER 179 Ca -0.16 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.70 3kfe h SER 179 Cb 1.93 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.37 3kfe h SER 179 CO 0.15 0.51 0.05 0.00 -1.14 0.00 0.00 176.83 176.40 3kfe h ALA 180 N 1.53 0.17 -0.08 3.77 0.00 -1.49 -3.23 119.26 119.93 3kfe h ALA 180 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kfe h ALA 180 Cb 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kfe h ALA 180 CO 0.03 -0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.37 3kfe n VAL 181 N -4.89 0.28 -2.27 0.00 0.24 -1.15 -4.76 118.33 105.78 3kfe n VAL 181 Ca -0.05 -0.16 -0.43 0.00 -2.04 0.00 0.00 64.34 61.66 3kfe n VAL 181 Cb 0.12 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.18 3kfe n VAL 181 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3kfe s VAL 182 N -1.45 3.97 -0.90 3.34 1.01 -1.22 -4.31 120.40 120.84 3kfe s VAL 182 Ca 0.07 1.22 -0.18 0.00 0.00 0.00 0.00 61.98 63.09 3kfe s VAL 182 Cb 0.05 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.78 3kfe s VAL 182 CO 0.03 -0.08 1.06 1.51 0.00 0.00 0.00 175.10 177.62 3kfe s ASP 183 N 2.32 6.63 -0.10 3.32 -4.77 -0.34 -4.95 116.67 118.79 3kfe s ASP 183 Ca 0.62 -2.10 -0.30 0.00 -3.30 0.00 0.00 52.55 47.46 3kfe s ASP 183 Cb -0.27 -2.37 -0.08 0.00 -1.09 0.00 0.00 42.92 39.11 3kfe s ASP 183 CO 0.22 -1.00 2.06 0.47 0.70 0.00 0.00 175.17 177.62 3kfe n ASP 184 N 6.19 3.59 -4.46 2.11 8.00 -1.26 -2.28 116.55 128.44 3kfe n ASP 184 Ca 0.21 0.64 -0.27 0.00 0.71 0.00 0.00 54.79 56.09 3kfe n ASP 184 Cb 0.49 -1.49 -0.11 0.00 -0.02 0.00 0.00 41.12 39.99 3kfe n ASP 184 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kfe s GLU 185 N 5.18 1.65 -0.02 -1.24 2.02 -1.26 -5.04 118.70 119.99 3kfe s GLU 185 Ca 0.95 -1.50 0.11 0.00 0.02 0.00 0.00 54.97 54.55 3kfe s GLU 185 Cb -0.48 -1.90 0.19 0.00 0.10 0.00 0.00 34.13 32.04 3kfe s GLU 185 CO 0.42 0.40 1.09 0.41 0.02 0.00 0.00 175.26 177.60 3kfe n GLY 186 N 0.11 0.78 3.88 -1.39 0.00 -0.97 -5.14 105.19 102.47 3kfe n GLY 186 Ca -0.11 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3kfe n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfe s LYS 187 N -0.09 2.94 -0.23 1.61 -0.14 -1.21 -4.59 119.74 118.02 3kfe s LYS 187 Ca 0.14 -1.10 -0.06 0.00 -1.36 0.00 0.00 55.97 53.59 3kfe s LYS 187 Cb 0.17 -2.61 -0.02 0.00 -1.68 0.00 0.00 37.83 33.69 3kfe s LYS 187 CO -0.07 0.23 0.02 0.08 -0.76 0.00 0.00 175.35 174.85 3kfe s VAL 188 N -2.19 3.86 -0.68 3.17 1.01 -1.26 -1.20 120.40 123.11 3kfe s VAL 188 Ca 0.38 -0.33 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 3kfe s VAL 188 Cb -0.07 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3kfe s VAL 188 CO 0.27 0.38 1.10 -0.62 0.00 0.00 0.00 175.10 176.23 3kfe s ASP 189 N 1.53 6.19 0.14 3.32 3.68 -1.26 -4.88 116.67 125.39 3kfe s ASP 189 Ca 0.06 -0.70 0.08 0.00 2.13 0.00 0.00 52.55 54.12 3kfe s ASP 189 Cb -0.15 -2.48 0.41 0.00 -1.45 0.00 0.00 42.92 39.25 3kfe s ASP 189 CO 0.00 -1.59 1.16 0.29 0.13 0.00 0.00 175.17 175.16 3kfe n LYS 190 N 8.39 0.05 0.00 4.34 4.01 -1.26 -0.19 118.16 133.50 3kfe n LYS 190 Ca -0.00 0.49 0.12 0.00 -0.51 0.00 0.00 58.31 58.41 3kfe n LYS 190 Cb 0.47 -1.78 0.22 0.00 -0.51 0.00 0.00 35.03 33.43 3kfe n LYS 190 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kfe n ASP 191 N -1.73 2.29 0.04 4.39 8.00 -1.26 -4.01 116.55 124.27 3kfe n ASP 191 Ca -0.01 -1.70 0.12 0.00 0.71 0.00 0.00 54.79 53.92 3kfe n ASP 191 Cb 0.13 0.09 0.20 0.00 -0.02 0.00 0.00 41.12 41.51 3kfe n ASP 191 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kfe n LEU 192 N 0.66 0.62 -4.35 0.64 4.77 0.73 -4.56 117.00 115.51 3kfe n LEU 192 Ca 0.14 0.17 -0.45 0.00 -0.03 0.00 0.00 56.01 55.85 3kfe n LEU 192 Cb 0.49 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3kfe n LEU 192 CO 0.18 -0.01 0.14 -0.63 -1.33 0.00 0.00 177.39 175.74 3kfe s ILE 193 N -3.12 5.17 0.06 -0.08 1.01 -1.26 -2.07 121.20 120.91 3kfe s ILE 193 Ca 0.07 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 3kfe s ILE 193 Cb 0.15 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 3kfe s ILE 193 CO 0.71 -0.79 1.08 -0.75 0.00 0.00 0.00 174.94 175.19 3kfe s LYS 194 N 1.76 4.53 -0.26 2.79 2.20 0.11 -4.89 119.74 125.99 3kfe s LYS 194 Ca 0.05 1.60 -0.05 0.00 -0.36 0.00 0.00 55.97 57.21 3kfe s LYS 194 Cb -0.27 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 3kfe s LYS 194 CO 0.05 -0.08 0.01 0.42 -0.36 0.00 0.00 175.35 175.39 3kfe s ILE 195 N 0.73 3.53 -0.04 5.43 1.01 -1.26 0.53 121.20 131.13 3kfe s ILE 195 Ca 0.54 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.50 3kfe s ILE 195 Cb -0.26 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3kfe s ILE 195 CO 0.30 0.20 -0.16 -0.70 0.00 0.00 0.00 174.94 174.58 3kfe s GLU 196 N 1.45 2.44 -0.20 2.79 2.56 -0.33 -4.97 118.70 122.44 3kfe s GLU 196 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 54.97 54.27 3kfe s GLU 196 Cb -0.16 -2.33 0.03 0.00 2.00 0.00 0.00 34.13 33.66 3kfe s GLU 196 CO -0.01 0.61 -0.17 0.15 -0.56 0.00 0.00 175.26 175.28 3kfe s LYS 197 N -0.78 2.77 -0.04 4.30 1.02 -1.26 -0.17 119.74 125.58 3kfe s LYS 197 Ca 0.12 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 3kfe s LYS 197 Cb -0.11 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 3kfe s LYS 197 CO 0.01 -0.30 0.08 0.15 -0.92 0.00 0.00 175.35 174.37 3kfe s LYS 198 N 1.25 0.04 0.00 1.68 -0.14 -0.93 -5.01 119.74 116.63 3kfe s LYS 198 Ca 0.01 0.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 3kfe s LYS 198 Cb -0.15 -0.14 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 3kfe s LYS 198 CO -0.11 -0.12 0.29 -1.13 -0.76 0.00 0.00 175.35 173.52 3kfe n SER 199 N 3.85 0.00 -1.27 2.83 3.41 -1.26 -4.22 113.62 116.96 3kfe n SER 199 Ca -0.23 0.29 0.17 0.00 -0.26 0.00 0.00 58.87 58.84 3kfe n SER 199 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 3kfe n SER 199 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kfe n GLY 200 N -0.43 -2.41 2.68 5.00 0.00 -1.26 -1.27 105.19 107.51 3kfe n GLY 200 Ca 0.00 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 3kfe n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe n ALA 201 N -3.00 6.02 -2.00 4.61 0.00 -1.26 -3.49 120.51 121.39 3kfe n ALA 201 Ca -0.03 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 48.85 3kfe n ALA 201 Cb 0.59 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3kfe n ALA 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfe n SER 202 N 0.46 0.00 0.00 0.00 2.88 -1.26 -4.88 113.62 110.83 3kfe n SER 202 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 3kfe n SER 202 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3kfe n SER 202 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kfe n ILE 203 N 0.00 0.00 0.20 2.46 5.41 0.19 -4.13 119.36 123.48 3kfe n ILE 203 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.84 3kfe n ILE 203 Cb 0.00 0.00 0.24 0.00 -0.71 0.00 0.00 39.64 39.17 3kfe n ILE 203 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kfe h ASP 204 N 0.00 0.00 0.25 4.38 5.19 -1.90 -3.19 116.42 121.15 3kfe h ASP 204 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kfe h ASP 204 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3kfe h ASP 204 CO 0.00 0.20 0.00 0.47 -3.12 0.00 0.00 179.24 176.79 3kfe n ASP 205 N -3.19 0.00 -4.77 6.45 8.00 -1.26 -4.82 116.55 116.96 3kfe n ASP 205 Ca 0.02 -0.51 -0.41 0.00 0.71 0.00 0.00 54.79 54.60 3kfe n ASP 205 Cb 0.55 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 3kfe n ASP 205 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3kfe s THR 206 N -2.28 2.57 0.11 -3.53 -4.23 -1.21 -4.80 115.64 102.28 3kfe s THR 206 Ca 0.35 0.57 -0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3kfe s THR 206 Cb 0.19 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 3kfe s THR 206 CO 0.38 0.13 0.18 -1.83 -0.54 0.00 0.00 174.62 172.94 3kfe s GLU 207 N -1.73 0.92 -0.15 3.99 -1.05 -0.60 -4.98 118.70 115.11 3kfe s GLU 207 Ca 0.51 -1.09 -0.19 0.00 -0.15 0.00 0.00 54.97 54.04 3kfe s GLU 207 Cb -0.41 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.57 3kfe s GLU 207 CO 0.54 -0.29 0.54 -1.17 0.95 0.00 0.00 175.26 175.83 3kfe s LEU 208 N -2.92 4.23 -0.28 1.83 2.96 -1.26 -1.27 118.68 121.97 3kfe s LEU 208 Ca 0.10 0.83 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3kfe s LEU 208 Cb 0.05 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3kfe s LEU 208 CO -0.07 -0.11 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.23 3kfe s ILE 209 N 1.11 3.21 -1.35 6.68 1.01 -0.00 -4.97 121.20 126.89 3kfe s ILE 209 Ca 0.27 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 3kfe s ILE 209 Cb -0.16 -2.70 0.08 0.00 0.01 0.00 0.00 42.46 39.69 3kfe s ILE 209 CO 0.11 0.07 1.92 0.29 0.00 0.00 0.00 174.94 177.33 3kfe n LYS 210 N 4.71 3.13 0.00 2.79 5.02 -1.26 -0.59 118.16 131.96 3kfe n LYS 210 Ca -0.15 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 3kfe n LYS 210 Cb 0.46 -3.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 3kfe n LYS 210 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kfe n GLY 211 N 4.41 -0.82 3.04 0.72 0.00 -1.26 -1.44 105.19 109.85 3kfe n GLY 211 Ca 0.48 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 3kfe n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfe s VAL 212 N -4.00 0.63 -0.24 1.61 1.01 -1.18 -3.42 120.40 114.81 3kfe s VAL 212 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3kfe s VAL 212 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3kfe s VAL 212 CO 0.00 -0.05 0.11 -0.22 0.00 0.00 0.00 175.10 174.94 3kfe s LEU 213 N -0.80 3.77 -0.16 3.92 2.96 -1.26 -1.91 118.68 125.19 3kfe s LEU 213 Ca -0.02 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3kfe s LEU 213 Cb -0.06 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 3kfe s LEU 213 CO 0.00 0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 3kfe s VAL 214 N 1.29 3.06 -0.37 1.68 1.01 -1.02 -5.01 120.40 121.05 3kfe s VAL 214 Ca 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3kfe s VAL 214 Cb -0.15 -2.32 -0.13 0.00 0.00 0.00 0.00 36.38 33.79 3kfe s VAL 214 CO 0.05 0.49 3.22 -0.67 0.00 0.00 0.00 175.10 178.20 3kfe n ASP 215 N 4.03 6.13 -3.87 3.32 2.03 -1.26 -1.55 116.55 125.38 3kfe n ASP 215 Ca -0.18 -2.76 -0.25 0.00 0.52 0.00 0.00 54.79 52.12 3kfe n ASP 215 Cb 0.52 -1.37 -0.07 0.00 -0.72 0.00 0.00 41.12 39.48 3kfe n ASP 215 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kfe n LYS 216 N 2.04 0.59 -3.91 -0.67 4.76 -1.26 -5.02 118.16 114.69 3kfe n LYS 216 Ca 0.49 -3.41 -0.10 0.00 -2.87 0.00 0.00 58.31 52.42 3kfe n LYS 216 Cb 0.70 1.81 -0.11 0.00 -1.84 0.00 0.00 35.03 35.59 3kfe n LYS 216 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kfe s GLU 217 N -3.54 0.38 -0.16 1.97 -1.05 -1.26 -3.34 118.70 111.69 3kfe s GLU 217 Ca 0.19 -0.43 -0.41 0.00 -0.15 0.00 0.00 54.97 54.17 3kfe s GLU 217 Cb 0.01 0.15 -0.19 0.00 -0.44 0.00 0.00 34.13 33.66 3kfe s GLU 217 CO 0.14 -0.08 1.34 2.89 0.95 0.00 0.00 175.26 180.50 3kfe n ARG 218 N 1.68 0.31 0.22 -4.83 -4.01 -1.26 -4.72 116.66 104.04 3kfe n ARG 218 Ca -0.22 0.11 0.05 0.00 -1.04 0.00 0.00 57.85 56.75 3kfe n ARG 218 Cb 0.56 -1.66 0.48 0.00 -3.04 0.00 0.00 32.46 28.80 3kfe n ARG 218 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 3kfe h VAL 219 N 3.87 1.15 -3.32 8.89 3.04 -1.21 -3.40 116.25 125.27 3kfe h VAL 219 Ca -0.48 -0.70 -0.67 0.00 -1.01 0.00 0.00 66.70 63.83 3kfe h VAL 219 Cb 1.39 1.37 -0.31 0.00 -2.01 0.00 0.00 31.29 31.72 3kfe h VAL 219 CO 0.80 0.20 -0.85 -0.55 -1.01 0.00 0.00 177.57 176.16 3kfe s SER 220 N -6.99 3.35 0.40 3.17 0.15 -1.26 -5.01 113.70 107.51 3kfe s SER 220 Ca -0.04 -0.50 0.29 0.00 0.70 0.00 0.00 55.95 56.40 3kfe s SER 220 Cb 0.16 -1.47 1.37 0.00 -1.71 0.00 0.00 66.02 64.36 3kfe s SER 220 CO 0.70 0.15 1.86 0.00 1.20 0.00 0.00 173.24 177.15 3kfe h ALA 221 N 6.80 1.00 0.00 5.45 0.00 -1.97 -2.23 119.26 128.31 3kfe h ALA 221 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3kfe h ALA 221 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kfe h ALA 221 CO 0.50 0.00 -0.04 0.94 0.00 0.00 0.00 179.25 180.66 3kfe n GLN 222 N -2.55 0.21 -1.28 0.00 7.27 -1.26 -4.88 117.38 114.88 3kfe n GLN 222 Ca -0.00 0.16 -0.31 0.00 0.07 0.00 0.00 57.00 56.92 3kfe n GLN 222 Cb 0.16 -1.73 0.10 0.00 2.41 0.00 0.00 30.24 31.17 3kfe n GLN 222 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3kfe s MET 223 N -3.08 2.06 0.56 3.69 -1.94 -0.84 -4.94 119.30 114.80 3kfe s MET 223 Ca 0.11 1.04 -0.21 0.00 -1.71 0.00 0.00 55.69 54.92 3kfe s MET 223 Cb 0.14 -1.88 -0.05 0.00 2.01 0.00 0.00 34.83 35.04 3kfe s MET 223 CO 0.59 -1.74 1.21 -2.30 -0.01 0.00 0.00 175.02 172.76 3kfe n PRO 224 N -3.58 1.39 -0.15 2.03 -0.02 -1.26 -4.93 135.00 128.48 3kfe n PRO 224 Ca 0.08 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3kfe n PRO 224 Cb 0.54 -2.40 0.12 0.00 -0.02 0.00 0.00 33.50 31.74 3kfe n PRO 224 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kfe n LYS 225 N -0.96 2.76 -3.65 -0.52 4.81 -1.26 -4.85 118.16 114.50 3kfe n LYS 225 Ca 0.12 -2.05 -0.13 0.00 -0.87 0.00 0.00 58.31 55.38 3kfe n LYS 225 Cb 0.45 -1.30 -0.08 0.00 0.02 0.00 0.00 35.03 34.13 3kfe n LYS 225 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3kfe s LYS 226 N -1.47 0.75 -0.02 1.64 2.20 -1.26 -3.11 119.74 118.48 3kfe s LYS 226 Ca 0.20 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.77 3kfe s LYS 226 Cb 0.13 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 3kfe s LYS 226 CO 0.08 -0.10 -0.01 0.08 -0.36 0.00 0.00 175.35 175.04 3kfe s VAL 227 N 0.56 0.20 0.15 4.02 1.01 -0.89 -5.04 120.40 120.41 3kfe s VAL 227 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3kfe s VAL 227 Cb -0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 3kfe s VAL 227 CO -0.02 0.11 0.03 0.42 0.00 0.00 0.00 175.10 175.63 3kfe s THR 228 N 0.53 3.98 -1.41 3.92 -4.23 -1.26 -1.17 115.64 116.00 3kfe s THR 228 Ca -0.05 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.10 3kfe s THR 228 Cb -0.08 -2.97 0.13 0.00 1.34 0.00 0.00 72.50 70.91 3kfe s THR 228 CO -0.01 -0.04 0.57 0.47 -0.54 0.00 0.00 174.62 175.07 3kfe n ASP 229 N 0.04 -2.99 -4.74 3.99 8.00 -1.22 -4.89 116.55 114.74 3kfe n ASP 229 Ca -0.10 -0.67 -0.33 0.00 0.71 0.00 0.00 54.79 54.40 3kfe n ASP 229 Cb 0.54 -2.50 0.08 0.00 -0.02 0.00 0.00 41.12 39.23 3kfe n ASP 229 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kfe s ALA 230 N -3.01 2.19 -0.23 2.24 0.00 -0.89 -4.88 121.76 117.17 3kfe s ALA 230 Ca 0.56 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 3kfe s ALA 230 Cb -0.31 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3kfe s ALA 230 CO 0.69 -1.75 -0.06 0.15 0.00 0.00 0.00 175.76 174.79 3kfe s LYS 231 N -4.16 3.18 -0.24 0.00 1.02 -1.26 -3.38 119.74 114.90 3kfe s LYS 231 Ca 0.69 -0.75 -0.09 0.00 0.02 0.00 0.00 55.97 55.85 3kfe s LYS 231 Cb -0.24 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 3kfe s LYS 231 CO 0.46 -0.26 0.12 0.42 -0.92 0.00 0.00 175.35 175.17 3kfe s ILE 232 N 1.42 4.93 -0.33 2.17 1.01 -1.16 -2.71 121.20 126.52 3kfe s ILE 232 Ca 0.04 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.64 3kfe s ILE 232 Cb -0.15 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.04 3kfe s ILE 232 CO -0.05 0.35 0.14 0.00 0.00 0.00 0.00 174.94 175.38 3kfe s ALA 233 N 1.20 3.18 -0.31 9.38 0.00 -0.23 -0.71 121.76 134.27 3kfe s ALA 233 Ca 0.06 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 3kfe s ALA 233 Cb -0.14 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 3kfe s ALA 233 CO 0.05 -1.10 0.48 -0.51 0.00 0.00 0.00 175.76 174.69 3kfe s LEU 234 N 1.54 4.23 -0.34 0.00 1.02 -1.26 -1.90 118.68 121.97 3kfe s LEU 234 Ca 0.02 0.15 -0.10 0.00 0.02 0.00 0.00 54.13 54.22 3kfe s LEU 234 Cb -0.18 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.47 3kfe s LEU 234 CO 0.05 -0.38 0.18 -0.76 0.02 0.00 0.00 176.35 175.45 3kfe s LEU 235 N 2.30 4.38 0.00 1.79 1.43 -0.22 -2.60 118.68 125.77 3kfe s LEU 235 Ca 0.18 -0.73 0.27 0.00 -1.03 0.00 0.00 54.13 52.82 3kfe s LEU 235 Cb -0.16 -2.01 1.40 0.00 0.03 0.00 0.00 46.19 45.45 3kfe s LEU 235 CO 0.12 -0.28 1.93 -3.20 0.23 0.00 0.00 176.35 175.15 3kfe n ASN 236 N 4.99 0.00 -4.66 2.29 2.85 0.82 -1.76 115.26 119.79 3kfe n ASN 236 Ca -0.13 -0.19 -0.25 0.00 -0.11 0.00 0.00 54.58 53.90 3kfe n ASN 236 Cb 0.48 -0.25 0.11 0.00 1.24 0.00 0.00 39.78 41.35 3kfe n ASN 236 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kfe s ALA 238 N -3.24 2.60 -1.01 0.00 0.00 -1.26 -3.91 121.76 114.94 3kfe s ALA 238 Ca 0.66 -1.69 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 3kfe s ALA 238 Cb -0.06 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.46 3kfe s ALA 238 CO 0.45 -1.10 1.59 0.42 0.00 0.00 0.00 175.76 177.11 3kfe s ILE 239 N 1.16 3.82 1.00 0.00 1.01 -1.01 -4.97 121.20 122.21 3kfe s ILE 239 Ca -0.06 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 3kfe s ILE 239 Cb -0.19 -4.82 0.19 0.00 0.01 0.00 0.00 42.46 37.65 3kfe s ILE 239 CO -0.05 -1.71 1.17 -1.61 0.00 0.00 0.00 174.94 172.74 3kfe s GLU 240 N 5.42 0.41 0.01 2.79 8.01 -1.26 -1.94 118.70 132.13 3kfe s GLU 240 Ca 0.52 0.07 -0.00 0.00 0.01 0.00 0.00 54.97 55.57 3kfe s GLU 240 Cb -0.01 -1.77 0.00 0.00 -4.31 0.00 0.00 34.13 28.03 3kfe s GLU 240 CO -0.06 -2.65 0.01 -0.85 0.01 0.00 0.00 175.26 171.72 3kfe n GLU 263 N -4.04 0.02 0.00 1.61 0.28 -1.26 -4.67 120.64 112.58 3kfe n GLU 263 Ca 0.10 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3kfe n GLU 263 Cb 0.59 0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.52 3kfe n GLU 263 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3kfe n THR 264 N -0.01 0.00 -1.36 3.84 -2.24 -1.26 -5.05 114.28 108.19 3kfe n THR 264 Ca -0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3kfe n THR 264 Cb 0.01 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3kfe n THR 264 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kfe n ALA 265 N -2.64 0.59 -2.52 6.98 0.00 -1.26 -4.99 120.51 116.67 3kfe n ALA 265 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kfe n ALA 265 Cb 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 19.45 3kfe n ALA 265 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfe n SER 266 N 0.00 0.33 -4.41 0.00 2.88 -1.26 -5.04 113.62 106.12 3kfe n SER 266 Ca -0.01 -2.04 -0.36 0.00 -1.33 0.00 0.00 58.87 55.13 3kfe n SER 266 Cb 0.19 -0.06 -0.09 0.00 -0.75 0.00 0.00 64.21 63.50 3kfe n SER 266 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3kfe n GLU 267 N -0.27 -0.93 0.00 -1.46 0.28 -1.26 -4.75 120.64 112.25 3kfe n GLU 267 Ca -0.05 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 3kfe n GLU 267 Cb 0.91 -4.10 0.00 0.00 1.43 0.00 0.00 31.44 29.68 3kfe n GLU 267 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3kfe n MET 268 N -4.36 0.55 0.00 3.44 2.81 -1.26 -3.51 117.12 114.79 3kfe n MET 268 Ca -0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 3kfe n MET 268 Cb 0.59 -1.22 0.00 0.00 -0.71 0.00 0.00 33.22 31.88 3kfe n MET 268 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kfe n LEU 269 N 0.09 0.00 0.28 4.03 7.99 -1.26 -4.42 117.00 123.71 3kfe n LEU 269 Ca 0.00 -0.38 0.17 0.00 -0.01 0.00 0.00 56.01 55.80 3kfe n LEU 269 Cb 0.11 0.00 0.79 0.00 -0.11 0.00 0.00 43.42 44.21 3kfe n LEU 269 CO 0.00 0.00 1.02 0.11 -1.51 0.00 0.00 177.39 177.01 3kfe h LYS 270 N 0.00 0.00 0.17 3.23 1.57 -1.96 -0.12 116.57 119.47 3kfe h LYS 270 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kfe h LYS 270 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kfe h LYS 270 CO 0.00 0.04 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.40 3kfe h ASP 271 N 0.00 -0.20 -0.95 0.86 3.45 -1.82 -2.04 116.42 115.72 3kfe h ASP 271 Ca -0.00 0.01 0.16 0.00 0.43 0.00 0.00 57.03 57.63 3kfe h ASP 271 Cb 0.40 0.05 -0.08 0.00 -0.56 0.00 0.00 39.33 39.14 3kfe h ASP 271 CO 0.00 -0.11 0.60 0.24 -1.57 0.00 0.00 179.24 178.41 3kfe h MET 272 N -0.30 0.73 0.00 3.56 2.86 -1.76 -1.05 114.93 118.98 3kfe h MET 272 Ca -0.02 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 3kfe h MET 272 Cb 0.18 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3kfe h MET 272 CO 0.04 0.48 -0.61 0.28 1.06 0.00 0.00 176.91 178.16 3kfe h VAL 273 N 0.75 1.17 0.00 -2.22 2.07 -1.10 -3.21 116.25 113.71 3kfe h VAL 273 Ca 0.50 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3kfe h VAL 273 Cb 0.77 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3kfe h VAL 273 CO -0.27 0.60 -1.06 0.00 0.02 0.00 0.00 177.57 176.86 3kfe n ALA 274 N -2.30 4.48 0.16 1.67 0.00 -0.77 -3.43 120.51 120.32 3kfe n ALA 274 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 53.44 52.91 3kfe n ALA 274 Cb 0.71 -0.79 0.15 0.00 0.00 0.00 0.00 19.45 19.51 3kfe n ALA 274 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kfe h GLU 275 N 0.00 0.00 0.15 0.00 5.08 -1.25 -2.57 114.58 116.00 3kfe h GLU 275 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3kfe h GLU 275 Cb 0.55 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.81 3kfe h GLU 275 CO 0.00 0.47 -1.44 0.82 -1.00 0.00 0.00 179.01 177.87 3kfe h ILE 276 N 0.00 1.28 0.00 3.13 2.04 -1.68 -3.21 117.51 119.08 3kfe h ILE 276 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3kfe h ILE 276 Cb 1.21 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 3kfe h ILE 276 CO 0.06 0.85 0.00 1.17 0.00 0.00 0.00 178.15 180.23 3kfe n LYS 277 N -3.53 0.15 0.09 2.37 4.81 -1.22 -2.90 118.16 117.91 3kfe n LYS 277 Ca -0.14 0.28 -0.06 0.00 -0.87 0.00 0.00 58.31 57.52 3kfe n LYS 277 Cb 1.05 -1.73 0.08 0.00 0.02 0.00 0.00 35.03 34.45 3kfe n LYS 277 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kfe h ALA 278 N 2.47 0.74 0.00 3.14 0.00 -1.46 -3.19 119.26 120.97 3kfe h ALA 278 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3kfe h ALA 278 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kfe h ALA 278 CO 0.00 0.80 -0.23 0.66 0.00 0.00 0.00 179.25 180.48 3kfe h SER 279 N 0.15 0.00 0.00 0.00 4.64 -1.60 -3.48 113.55 113.25 3kfe h SER 279 Ca -0.02 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kfe h SER 279 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kfe h SER 279 CO 0.11 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 3kfe n GLY 280 N 1.28 1.13 3.59 -0.77 0.00 -1.21 -4.68 105.19 104.53 3kfe n GLY 280 Ca 0.04 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3kfe n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe s ALA 281 N -2.00 3.53 -1.87 4.61 0.00 -1.22 -4.72 121.76 120.09 3kfe s ALA 281 Ca 0.00 -0.82 0.20 0.00 0.00 0.00 0.00 51.96 51.34 3kfe s ALA 281 Cb 0.00 -2.95 0.61 0.00 0.00 0.00 0.00 23.12 20.78 3kfe s ALA 281 CO 0.00 -0.99 1.51 0.27 0.00 0.00 0.00 175.76 176.55 3kfe n ASN 282 N 5.65 3.76 -3.73 0.00 0.23 -1.10 -4.71 115.26 115.35 3kfe n ASN 282 Ca -0.05 -2.07 -0.13 0.00 -0.53 0.00 0.00 54.58 51.81 3kfe n ASN 282 Cb 0.49 -0.47 -0.10 0.00 -2.08 0.00 0.00 39.78 37.62 3kfe n ASN 282 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3kfe s VAL 283 N -1.22 -0.00 -0.09 3.53 1.01 -1.21 -2.00 120.40 120.42 3kfe s VAL 283 Ca 0.46 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.42 3kfe s VAL 283 Cb 0.25 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 36.11 3kfe s VAL 283 CO 0.29 0.01 0.17 -0.22 0.00 0.00 0.00 175.10 175.35 3kfe s LEU 284 N 0.41 0.13 -0.32 3.92 2.96 0.15 -1.07 118.68 124.85 3kfe s LEU 284 Ca -0.02 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 3kfe s LEU 284 Cb -0.04 0.37 0.03 0.00 0.50 0.00 0.00 46.19 47.05 3kfe s LEU 284 CO -0.02 -0.22 0.09 -0.36 -1.32 0.00 0.00 176.35 174.53 3kfe s PHE 285 N 1.97 3.22 -0.16 5.38 0.40 -0.80 -1.85 117.98 126.14 3kfe s PHE 285 Ca -0.01 -1.30 -0.06 0.00 -0.60 0.00 0.00 56.93 54.96 3kfe s PHE 285 Cb -0.12 -2.26 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 3kfe s PHE 285 CO -0.06 -0.69 0.04 0.00 0.70 0.00 0.00 175.22 175.21 3kfe h GLN 287 N 6.38 0.18 0.00 0.00 4.15 -1.57 -0.69 115.11 123.57 3kfe h GLN 287 Ca -0.38 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 58.75 3kfe h GLN 287 Cb 1.18 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.97 3kfe h GLN 287 CO 0.66 1.12 0.00 1.63 -1.93 0.00 0.00 178.83 180.31 3kfe n LYS 288 N -3.49 2.74 -3.38 1.69 4.76 -1.25 -3.60 118.16 115.63 3kfe n LYS 288 Ca -0.05 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.06 3kfe n LYS 288 Cb 0.97 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 34.11 3kfe n LYS 288 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3kfe s GLY 289 N -0.78 2.32 -0.30 0.72 0.00 -1.26 -1.36 107.32 106.66 3kfe s GLY 289 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 44.72 44.50 3kfe s GLY 289 CO 0.00 -0.05 -0.02 -0.42 0.00 0.00 0.00 173.10 172.60 3kfe s ILE 290 N -1.77 2.62 0.94 0.90 1.01 -1.26 -2.41 121.20 121.23 3kfe s ILE 290 Ca 0.46 -1.62 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 3kfe s ILE 290 Cb -0.12 -2.58 0.11 0.00 0.01 0.00 0.00 42.46 39.88 3kfe s ILE 290 CO 0.20 -0.16 0.84 -0.67 0.00 0.00 0.00 174.94 175.15 3kfe n ASP 291 N 4.51 -0.71 0.27 3.58 -0.08 -0.82 -4.76 116.55 118.54 3kfe n ASP 291 Ca -0.11 0.36 0.16 0.00 -1.51 0.00 0.00 54.79 53.69 3kfe n ASP 291 Cb 0.43 -1.36 0.67 0.00 2.34 0.00 0.00 41.12 43.20 3kfe n ASP 291 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3kfe h ASP 292 N -1.79 0.00 0.04 1.67 3.32 -1.95 -2.44 116.42 115.27 3kfe h ASP 292 Ca -0.44 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 3kfe h ASP 292 Cb 1.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.84 3kfe h ASP 292 CO 0.38 0.06 -0.78 -0.07 -1.72 0.00 0.00 179.24 177.11 3kfe h LEU 293 N 0.00 0.63 -0.10 1.55 3.38 -1.94 -3.25 115.31 115.58 3kfe h LEU 293 Ca -0.00 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.18 3kfe h LEU 293 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kfe h LEU 293 CO 0.01 1.35 0.00 0.00 0.09 0.00 0.00 178.44 179.88 3kfe n ALA 294 N -2.62 2.55 -0.06 1.53 0.00 -1.05 -2.63 120.51 118.24 3kfe n ALA 294 Ca -0.11 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 3kfe n ALA 294 Cb 0.77 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 3kfe n ALA 294 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfe n GLN 295 N -0.57 0.66 0.07 0.00 6.02 -0.95 -3.95 117.38 118.65 3kfe n GLN 295 Ca 0.08 0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 57.12 3kfe n GLN 295 Cb 0.06 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.52 3kfe n GLN 295 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3kfe h HIS 296 N 0.00 0.19 0.00 1.08 2.76 -1.54 -3.01 115.15 114.63 3kfe h HIS 296 Ca -0.40 -0.14 -0.08 0.00 -2.20 0.00 0.00 60.37 57.55 3kfe h HIS 296 Cb 2.10 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 31.04 3kfe h HIS 296 CO 0.00 1.12 -0.39 1.88 -1.30 0.00 0.00 177.93 179.25 3kfe h TYR 297 N 0.03 0.00 0.00 5.26 0.05 -1.73 -1.99 116.97 118.60 3kfe h TYR 297 Ca -0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.68 3kfe h TYR 297 Cb 1.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.62 3kfe h TYR 297 CO 0.03 0.39 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.45 3kfe h LEU 298 N 0.00 -0.00 -1.17 3.88 3.38 -1.69 -3.05 115.31 116.67 3kfe h LEU 298 Ca -0.00 -0.90 0.15 0.00 0.09 0.00 0.00 57.88 57.22 3kfe h LEU 298 Cb 1.06 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 3kfe h LEU 298 CO 0.05 0.90 0.60 0.00 0.09 0.00 0.00 178.44 180.08 3kfe h ALA 299 N 0.09 1.74 0.00 1.53 0.00 -1.55 -0.41 119.26 120.67 3kfe h ALA 299 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kfe h ALA 299 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3kfe h ALA 299 CO 0.00 -0.02 -0.32 -0.22 0.00 0.00 0.00 179.25 178.70 3kfe h LYS 300 N 0.77 0.00 0.00 0.00 3.64 -1.44 -3.18 116.57 116.37 3kfe h LYS 300 Ca 0.49 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.77 3kfe h LYS 300 Cb 0.73 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 3kfe h LYS 300 CO -0.26 0.32 -1.13 0.93 -2.27 0.00 0.00 179.45 177.05 3kfe h GLU 301 N 0.00 0.00 0.00 1.90 4.39 -0.97 -3.48 114.58 116.42 3kfe h GLU 301 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kfe h GLU 301 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3kfe h GLU 301 CO 0.04 0.22 0.00 0.41 -1.16 0.00 0.00 179.01 178.52 3kfe n GLY 302 N 1.30 0.86 3.66 -3.84 0.00 -0.87 -5.08 105.19 101.23 3kfe n GLY 302 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3kfe n GLY 302 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfe s ILE 303 N -2.00 5.05 0.21 -0.61 1.01 -1.07 -4.69 121.20 119.10 3kfe s ILE 303 Ca 0.00 1.13 -0.21 0.00 0.00 0.00 0.00 60.65 61.57 3kfe s ILE 303 Cb 0.00 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 3kfe s ILE 303 CO 0.00 0.14 0.75 -0.69 0.00 0.00 0.00 174.94 175.14 3kfe s VAL 304 N 1.75 4.51 -0.03 2.92 1.01 -0.85 -4.26 120.40 125.45 3kfe s VAL 304 Ca 0.28 1.41 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 3kfe s VAL 304 Cb -0.16 -3.93 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3kfe s VAL 304 CO 0.10 0.28 0.29 0.00 0.00 0.00 0.00 175.10 175.77 3kfe s ALA 305 N -1.44 -0.73 -0.04 5.51 0.00 -1.26 0.30 121.76 124.11 3kfe s ALA 305 Ca 0.42 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.77 3kfe s ALA 305 Cb -0.18 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3kfe s ALA 305 CO 0.22 -0.23 -0.09 0.00 0.00 0.00 0.00 175.76 175.65 3kfe s ALA 306 N -1.07 0.98 0.12 0.00 0.00 -0.77 -0.55 121.76 120.46 3kfe s ALA 306 Ca -0.11 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.55 3kfe s ALA 306 Cb -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3kfe s ALA 306 CO 0.03 0.11 0.26 -0.98 0.00 0.00 0.00 175.76 175.18 3kfe s ARG 307 N 0.50 3.45 -1.26 0.00 1.70 -1.26 -0.77 118.95 121.31 3kfe s ARG 307 Ca -0.09 -0.52 -0.01 0.00 -0.47 0.00 0.00 55.73 54.64 3kfe s ARG 307 Cb -0.12 -2.99 -0.00 0.00 -0.57 0.00 0.00 34.95 31.26 3kfe s ARG 307 CO 0.02 0.55 0.78 0.54 -1.08 0.00 0.00 175.30 176.11 3kfe n ARG 308 N -0.21 -4.93 -2.77 3.89 1.74 -0.30 -4.94 116.66 109.13 3kfe n ARG 308 Ca -0.06 0.68 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 3kfe n ARG 308 Cb 0.53 -5.32 -0.05 0.00 -1.02 0.00 0.00 32.46 26.60 3kfe n ARG 308 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kfe s VAL 309 N -3.57 4.39 0.26 1.55 1.01 -0.99 -4.99 120.40 118.05 3kfe s VAL 309 Ca 0.05 2.02 -0.27 0.00 0.00 0.00 0.00 61.98 63.78 3kfe s VAL 309 Cb -0.01 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.91 3kfe s VAL 309 CO 0.79 0.39 0.63 0.29 0.00 0.00 0.00 175.10 177.20 3kfe n LYS 310 N 2.34 0.42 -0.22 2.72 4.76 -1.26 -4.59 118.16 122.33 3kfe n LYS 310 Ca 0.00 0.15 -0.00 0.00 -2.87 0.00 0.00 58.31 55.59 3kfe n LYS 310 Cb 0.49 -1.28 0.23 0.00 -1.84 0.00 0.00 35.03 32.63 3kfe n LYS 310 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3kfe h LYS 311 N 1.21 1.01 -0.54 1.97 3.64 -1.94 -1.25 116.57 120.68 3kfe h LYS 311 Ca -0.33 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3kfe h LYS 311 Cb 1.41 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3kfe h LYS 311 CO 0.57 0.69 0.24 0.66 -2.27 0.00 0.00 179.45 179.33 3kfe h SER 312 N 1.03 0.68 0.91 4.20 4.64 -2.01 -1.57 113.55 121.45 3kfe h SER 312 Ca 0.28 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3kfe h SER 312 Cb -0.09 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3kfe h SER 312 CO -0.06 0.60 0.00 0.47 -0.87 0.00 0.00 176.83 176.97 3kfe n ASP 313 N -4.36 0.47 0.05 4.97 8.00 -0.53 -2.34 116.55 122.81 3kfe n ASP 313 Ca 0.04 0.58 -0.19 0.00 0.71 0.00 0.00 54.79 55.94 3kfe n ASP 313 Cb 0.14 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.40 3kfe n ASP 313 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3kfe h MET 314 N 0.00 0.29 -0.09 -1.24 2.86 -0.63 -2.96 114.93 113.15 3kfe h MET 314 Ca 0.00 -0.49 -0.20 0.00 -2.06 0.00 0.00 59.70 56.95 3kfe h MET 314 Cb 0.46 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3kfe h MET 314 CO 0.00 1.16 -0.79 0.93 1.06 0.00 0.00 176.91 179.27 3kfe h GLU 315 N 0.08 0.53 -0.75 1.72 5.08 -1.48 0.00 114.58 119.76 3kfe h GLU 315 Ca -0.30 -0.46 0.07 0.00 -1.00 0.00 0.00 59.36 57.66 3kfe h GLU 315 Cb 2.05 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 31.34 3kfe h GLU 315 CO 0.15 1.09 0.44 0.87 -1.00 0.00 0.00 179.01 180.56 3kfe h LYS 316 N 0.35 0.77 -0.01 2.33 1.79 -1.57 -1.99 116.57 118.24 3kfe h LYS 316 Ca -0.05 -0.05 -0.23 0.00 -2.18 0.00 0.00 60.65 58.14 3kfe h LYS 316 Cb 1.39 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 31.87 3kfe h LYS 316 CO 0.14 0.51 -0.95 -0.07 -1.08 0.00 0.00 179.45 178.00 3kfe h LEU 317 N 0.79 0.62 -0.51 2.94 3.38 -1.44 -2.45 115.31 118.64 3kfe h LEU 317 Ca 0.34 -0.49 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kfe h LEU 317 Cb 0.21 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 3kfe h LEU 317 CO -0.19 1.29 0.06 0.00 0.09 0.00 0.00 178.44 179.69 3kfe h ALA 318 N 0.67 0.55 0.18 1.53 0.00 -0.59 -3.13 119.26 118.46 3kfe h ALA 318 Ca -0.09 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3kfe h ALA 318 Cb 1.59 0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.59 3kfe h ALA 318 CO 0.17 -0.34 -1.35 0.87 0.00 0.00 0.00 179.25 178.59 3kfe h LYS 319 N 0.19 0.37 -0.14 0.00 1.57 -1.39 -1.68 116.57 115.50 3kfe h LYS 319 Ca 0.26 -0.64 -0.16 0.00 -1.87 0.00 0.00 60.65 58.25 3kfe h LYS 319 Cb 0.38 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3kfe h LYS 319 CO -0.38 1.31 -0.58 0.00 -0.57 0.00 0.00 179.45 179.22 3kfe h ALA 320 N 0.07 0.74 0.04 3.86 0.00 -1.47 -3.20 119.26 119.30 3kfe h ALA 320 Ca -0.26 -0.53 -0.29 0.00 0.00 0.00 0.00 54.91 53.83 3kfe h ALA 320 Cb 1.92 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 3kfe h ALA 320 CO 0.17 0.70 -1.64 1.79 0.00 0.00 0.00 179.25 180.28 3kfe h THR 321 N 0.33 0.97 -0.16 0.00 1.35 -1.74 -3.35 112.91 110.31 3kfe h THR 321 Ca -0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3kfe h THR 321 Cb 1.12 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 3kfe h THR 321 CO 0.10 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3kfe n GLY 322 N 1.61 1.00 0.00 5.82 0.00 -1.21 -2.24 105.19 110.17 3kfe n GLY 322 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3kfe n GLY 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe n ALA 323 N -0.42 0.00 -3.72 4.61 0.00 -0.63 -4.16 120.51 116.19 3kfe n ALA 323 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3kfe n ALA 323 Cb 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 3kfe n ALA 323 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kfe s ASN 324 N -0.98 -0.18 -0.70 0.00 0.01 -1.01 -4.82 114.94 107.26 3kfe s ASN 324 Ca 0.00 0.40 -0.27 0.00 -0.71 0.00 0.00 52.86 52.27 3kfe s ASN 324 Cb 0.00 0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.97 3kfe s ASN 324 CO 0.00 -0.15 1.33 -0.69 -1.51 0.00 0.00 177.10 176.08 3kfe s VAL 325 N 1.18 3.72 -0.23 1.60 1.01 -1.26 -4.33 120.40 122.10 3kfe s VAL 325 Ca -0.09 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 3kfe s VAL 325 Cb -0.11 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.44 3kfe s VAL 325 CO -0.07 -1.68 0.26 -0.63 0.00 0.00 0.00 175.10 172.98 3kfe s ILE 326 N 5.97 5.29 -0.04 2.22 -1.09 -1.07 -4.82 121.20 127.65 3kfe s ILE 326 Ca 0.40 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 59.24 3kfe s ILE 326 Cb -0.08 -3.60 -0.25 0.00 -1.58 0.00 0.00 42.46 36.94 3kfe s ILE 326 CO 0.17 0.30 0.67 0.74 -1.23 0.00 0.00 174.94 175.59 3kfe h THR 327 N 5.04 0.92 -3.46 2.92 2.02 -1.89 0.24 112.91 118.69 3kfe h THR 327 Ca -0.37 -2.66 -0.71 0.00 0.77 0.00 0.00 66.41 63.44 3kfe h THR 327 Cb 1.17 2.57 -0.20 0.00 -1.74 0.00 0.00 68.15 69.94 3kfe h THR 327 CO 0.68 0.73 -0.31 0.21 0.37 0.00 0.00 175.52 177.19 3kfe s ASN 328 N -6.67 6.15 0.59 4.18 2.47 -1.26 -4.13 114.94 116.27 3kfe s ASN 328 Ca -0.11 -0.91 0.30 0.00 0.42 0.00 0.00 52.86 52.57 3kfe s ASN 328 Cb 0.07 -2.19 1.84 0.00 -1.45 0.00 0.00 41.25 39.52 3kfe s ASN 328 CO 0.82 -0.55 2.26 -0.29 -3.72 0.00 0.00 177.10 175.62 3kfe h ILE 329 N 5.70 0.51 -0.31 -5.21 2.10 -2.00 -1.27 117.51 117.03 3kfe h ILE 329 Ca -0.27 -0.01 -0.11 0.00 1.08 0.00 0.00 64.86 65.55 3kfe h ILE 329 Cb 1.11 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 3kfe h ILE 329 CO 0.79 0.00 -0.24 0.11 -1.08 0.00 0.00 178.15 177.73 3kfe h LYS 330 N 0.00 0.70 -1.00 2.19 1.79 -1.97 -3.14 116.57 115.15 3kfe h LYS 330 Ca -0.00 -0.35 -0.00 0.00 -2.18 0.00 0.00 60.65 58.12 3kfe h LYS 330 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3kfe h LYS 330 CO 0.00 0.96 0.00 -3.47 -1.08 0.00 0.00 179.45 175.86 3kfe n ASP 331 N -4.29 1.58 -4.56 0.86 2.03 -0.48 -4.74 116.55 106.95 3kfe n ASP 331 Ca -0.03 -2.01 -0.37 0.00 0.52 0.00 0.00 54.79 52.90 3kfe n ASP 331 Cb 0.44 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 40.30 3kfe n ASP 331 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3kfe s LEU 332 N -0.03 3.36 1.05 -2.67 2.96 -1.19 -4.98 118.68 117.19 3kfe s LEU 332 Ca 0.01 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.74 3kfe s LEU 332 Cb 0.00 -2.56 0.22 0.00 0.50 0.00 0.00 46.19 44.35 3kfe s LEU 332 CO 0.00 -1.95 1.08 -0.55 -1.32 0.00 0.00 176.35 173.60 3kfe s SER 333 N 5.94 2.08 0.00 3.68 0.15 -1.26 -4.77 113.70 119.53 3kfe s SER 333 Ca 0.53 1.24 0.21 0.00 0.70 0.00 0.00 55.95 58.63 3kfe s SER 333 Cb -0.03 -1.94 0.68 0.00 -1.71 0.00 0.00 66.02 63.02 3kfe s SER 333 CO -0.04 -3.48 1.51 0.00 1.20 0.00 0.00 173.24 172.44 3kfe n ALA 334 N -4.41 2.50 0.04 5.45 0.00 -1.26 -3.64 120.51 119.19 3kfe n ALA 334 Ca 0.04 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.91 3kfe n ALA 334 Cb 0.57 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 19.01 3kfe n ALA 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kfe n GLN 335 N 0.51 1.55 -0.25 0.00 3.00 -1.26 -4.49 117.38 116.44 3kfe n GLN 335 Ca 0.16 -1.32 0.05 0.00 -0.01 0.00 0.00 57.00 55.89 3kfe n GLN 335 Cb 0.37 -1.10 0.17 0.00 0.00 0.00 0.00 30.24 29.68 3kfe n GLN 335 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3kfe n ASP 336 N 0.05 2.30 -4.83 1.08 10.43 -1.24 -4.86 116.55 119.48 3kfe n ASP 336 Ca 0.04 -2.11 -0.36 0.00 2.57 0.00 0.00 54.79 54.92 3kfe n ASP 336 Cb 0.23 -0.33 -0.07 0.00 1.84 0.00 0.00 41.12 42.80 3kfe n ASP 336 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3kfe s LEU 337 N -1.09 4.33 0.00 0.64 1.43 -1.26 -2.39 118.68 120.34 3kfe s LEU 337 Ca 0.25 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3kfe s LEU 337 Cb 0.15 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3kfe s LEU 337 CO 0.15 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.66 3kfe n GLY 338 N 2.51 -0.94 3.06 -3.19 0.00 0.11 -4.59 105.19 102.14 3kfe n GLY 338 Ca -0.18 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 3kfe n GLY 338 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kfe s ASP 339 N -1.00 0.19 -0.04 1.61 2.15 -0.95 -3.00 116.67 115.62 3kfe s ASP 339 Ca 0.00 0.59 0.04 0.00 0.43 0.00 0.00 52.55 53.60 3kfe s ASP 339 Cb 0.00 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.63 3kfe s ASP 339 CO 0.00 -0.26 -0.14 0.00 -0.17 0.00 0.00 175.17 174.60 3kfe s ALA 340 N 2.51 1.32 -1.90 3.66 0.00 -1.22 -4.03 121.76 122.11 3kfe s ALA 340 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3kfe s ALA 340 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3kfe s ALA 340 CO -0.12 0.22 0.53 0.41 0.00 0.00 0.00 175.76 176.81 3kfe n GLY 341 N 3.26 -0.42 3.65 0.00 0.00 -0.51 -2.11 105.19 109.07 3kfe n GLY 341 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 3kfe n GLY 341 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kfe s LEU 342 N -0.90 -0.11 -0.21 0.99 0.20 -1.23 -3.41 118.68 114.02 3kfe s LEU 342 Ca 0.00 0.18 -0.00 0.00 0.69 0.00 0.00 54.13 55.00 3kfe s LEU 342 Cb 0.00 1.16 0.05 0.00 -0.43 0.00 0.00 46.19 46.98 3kfe s LEU 342 CO 0.00 -0.03 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.29 3kfe s VAL 343 N 0.95 1.31 0.01 1.68 1.01 -0.31 -2.16 120.40 122.88 3kfe s VAL 343 Ca -0.06 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3kfe s VAL 343 Cb -0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 3kfe s VAL 343 CO -0.11 -0.02 -0.05 -0.70 0.00 0.00 0.00 175.10 174.23 3kfe s GLU 344 N 1.52 0.36 -0.37 2.72 2.12 0.32 -2.09 118.70 123.27 3kfe s GLU 344 Ca -0.03 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.76 3kfe s GLU 344 Cb -0.17 -0.25 0.00 0.00 0.26 0.00 0.00 34.13 33.97 3kfe s GLU 344 CO -0.07 0.06 0.58 -2.00 -0.54 0.00 0.00 175.26 173.29 3kfe s GLU 345 N -0.62 3.57 0.18 4.30 2.12 -1.18 0.14 118.70 127.21 3kfe s GLU 345 Ca -0.03 -0.13 0.09 0.00 0.36 0.00 0.00 54.97 55.26 3kfe s GLU 345 Cb -0.05 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3kfe s GLU 345 CO -0.00 -0.75 -0.14 1.03 -0.54 0.00 0.00 175.26 174.86 3kfe s ARG 346 N 2.59 1.91 -0.32 4.30 0.52 -0.24 -4.95 118.95 122.76 3kfe s ARG 346 Ca 0.21 -1.32 -0.15 0.00 -0.52 0.00 0.00 55.73 53.96 3kfe s ARG 346 Cb -0.15 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.22 3kfe s ARG 346 CO 0.15 0.43 0.37 0.15 0.02 0.00 0.00 175.30 176.42 3kfe s LYS 347 N -2.72 3.70 -0.20 3.54 1.02 -1.26 -0.30 119.74 123.52 3kfe s LYS 347 Ca 0.23 -0.28 -0.00 0.00 0.02 0.00 0.00 55.97 55.95 3kfe s LYS 347 Cb -0.09 -3.76 0.05 0.00 -0.52 0.00 0.00 37.83 33.51 3kfe s LYS 347 CO 0.13 -0.46 -0.05 -1.50 -0.92 0.00 0.00 175.35 172.55 3kfe s ILE 348 N 2.05 1.29 -1.01 2.17 1.10 -0.27 -4.73 121.20 121.81 3kfe s ILE 348 Ca 0.13 -0.88 -0.06 0.00 -0.51 0.00 0.00 60.65 59.33 3kfe s ILE 348 Cb -0.16 -1.51 0.01 0.00 0.15 0.00 0.00 42.46 40.95 3kfe s ILE 348 CO 0.11 0.03 0.77 -0.24 -2.11 0.00 0.00 174.94 173.50 3kfe n SER 349 N 4.79 -5.11 0.00 4.50 2.88 -1.26 -3.80 113.62 115.62 3kfe n SER 349 Ca -0.12 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 3kfe n SER 349 Cb 0.46 -3.76 0.00 0.00 -0.75 0.00 0.00 64.21 60.16 3kfe n SER 349 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kfe n GLY 350 N -1.53 2.27 3.75 0.46 0.00 -1.26 -4.88 105.19 104.00 3kfe n GLY 350 Ca -0.01 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 3kfe n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kfe s ASP 351 N 0.00 5.37 -0.25 1.61 1.01 -1.25 -4.89 116.67 118.27 3kfe s ASP 351 Ca 0.00 2.62 -0.06 0.00 0.71 0.00 0.00 52.55 55.81 3kfe s ASP 351 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 3kfe s ASP 351 CO 0.00 -1.49 0.05 -0.94 0.21 0.00 0.00 175.17 173.00 3kfe s SER 352 N -1.15 4.94 0.30 0.27 1.04 -1.26 -1.12 113.70 116.72 3kfe s SER 352 Ca 0.72 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.91 3kfe s SER 352 Cb -0.37 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 63.82 3kfe s SER 352 CO 0.43 -0.05 -0.07 -0.04 0.98 0.00 0.00 173.24 174.49 3kfe s MET 353 N 1.57 1.62 -0.52 4.02 -1.94 0.58 -4.62 119.30 120.01 3kfe s MET 353 Ca 0.06 -1.82 -0.15 0.00 -1.71 0.00 0.00 55.69 52.06 3kfe s MET 353 Cb -0.15 -1.29 0.12 0.00 2.01 0.00 0.00 34.83 35.52 3kfe s MET 353 CO 0.02 0.06 0.46 0.42 -0.01 0.00 0.00 175.02 175.97 3kfe s ILE 354 N -2.91 5.09 -0.04 2.53 1.01 -0.59 -1.08 121.20 125.21 3kfe s ILE 354 Ca 0.30 -1.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.20 3kfe s ILE 354 Cb 0.03 -4.23 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3kfe s ILE 354 CO 0.13 -0.80 1.00 -0.36 0.00 0.00 0.00 174.94 174.91 3kfe s PHE 355 N 1.58 3.59 -0.65 3.97 0.40 0.12 -2.42 117.98 124.57 3kfe s PHE 355 Ca 0.03 1.64 0.04 0.00 -0.60 0.00 0.00 56.93 58.04 3kfe s PHE 355 Cb -0.28 -3.16 0.32 0.00 0.51 0.00 0.00 43.02 40.40 3kfe s PHE 355 CO 0.03 -0.17 1.00 0.28 0.70 0.00 0.00 175.22 177.06 3kfe n VAL 356 N 4.15 3.26 -2.26 -0.44 0.31 -0.81 -0.52 118.33 122.02 3kfe n VAL 356 Ca 0.07 -5.56 -0.04 0.00 -0.01 0.00 0.00 64.34 58.81 3kfe n VAL 356 Cb 0.50 -1.59 0.02 0.00 -0.91 0.00 0.00 33.84 31.86 3kfe n VAL 356 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kfe n GLU 357 N 0.05 0.48 -4.17 5.55 0.28 -0.92 -3.10 120.64 118.81 3kfe n GLU 357 Ca 0.32 -0.44 -0.30 0.00 -0.16 0.00 0.00 57.16 56.59 3kfe n GLU 357 Cb 0.38 -0.11 -0.06 0.00 1.43 0.00 0.00 31.44 33.08 3kfe n GLU 357 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kfe n GLU 358 N -1.30 -1.74 -1.62 3.44 1.02 -1.24 -3.48 120.64 115.72 3kfe n GLU 358 Ca 0.03 0.21 -0.29 0.00 -0.02 0.00 0.00 57.16 57.08 3kfe n GLU 358 Cb 0.10 -3.87 0.11 0.00 -0.02 0.00 0.00 31.44 27.75 3kfe n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kfe h LYS 360 N -1.23 0.00 -2.91 0.00 1.79 -1.84 -3.45 116.57 108.93 3kfe h LYS 360 Ca -0.48 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.37 3kfe h LYS 360 Cb 1.30 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.54 3kfe h LYS 360 CO 0.62 0.00 -0.65 1.58 -1.08 0.00 0.00 179.45 179.92 3kfe n HIS 361 N -3.76 2.49 -2.38 -1.35 -0.00 -1.26 -5.09 115.22 103.87 3kfe n HIS 361 Ca -0.03 -4.12 -0.42 0.00 0.46 0.00 0.00 57.72 53.61 3kfe n HIS 361 Cb 0.11 -0.46 -0.03 0.00 -0.12 0.00 0.00 29.99 29.49 3kfe n HIS 361 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3kfe s PRO 362 N -1.24 4.37 0.00 1.57 0.02 -1.26 -4.76 135.00 133.71 3kfe s PRO 362 Ca 0.27 1.80 0.12 0.00 0.02 0.00 0.00 61.00 63.21 3kfe s PRO 362 Cb -0.02 -3.44 0.27 0.00 0.02 0.00 0.00 34.50 31.33 3kfe s PRO 362 CO -0.17 -0.39 1.17 1.63 -0.33 0.00 0.00 177.00 178.91 3kfe n LYS 363 N 4.57 2.27 -3.98 5.54 4.76 -1.22 -4.62 118.16 125.48 3kfe n LYS 363 Ca 0.10 -1.86 -0.10 0.00 -2.87 0.00 0.00 58.31 53.59 3kfe n LYS 363 Cb 0.45 -1.27 -0.11 0.00 -1.84 0.00 0.00 35.03 32.26 3kfe n LYS 363 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kfe s ALA 364 N -1.00 0.16 0.02 7.82 0.00 -1.26 -4.75 121.76 122.76 3kfe s ALA 364 Ca 0.22 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3kfe s ALA 364 Cb 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3kfe s ALA 364 CO 0.17 -0.13 0.11 0.08 0.00 0.00 0.00 175.76 175.99 3kfe s VAL 365 N -1.34 0.11 -0.09 0.00 1.01 -0.88 -4.10 120.40 115.11 3kfe s VAL 365 Ca -0.14 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 60.97 3kfe s VAL 365 Cb -0.09 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3kfe s VAL 365 CO -0.01 -0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 173.48 3kfe s THR 366 N -2.08 2.26 -0.38 3.92 2.01 0.24 0.08 115.64 121.71 3kfe s THR 366 Ca -0.09 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 3kfe s THR 366 Cb -0.04 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.61 3kfe s THR 366 CO -0.02 0.56 0.37 -0.04 -0.69 0.00 0.00 174.62 174.80 3kfe s MET 367 N 0.12 3.32 -0.51 4.92 -1.94 0.19 -0.82 119.30 124.58 3kfe s MET 367 Ca -0.11 -0.63 -0.22 0.00 -1.71 0.00 0.00 55.69 53.02 3kfe s MET 367 Cb -0.16 -3.88 0.04 0.00 2.01 0.00 0.00 34.83 32.84 3kfe s MET 367 CO 0.06 -0.66 0.79 -1.17 -0.01 0.00 0.00 175.02 174.03 3kfe s LEU 368 N 2.00 4.42 0.07 -0.03 2.96 -0.40 -1.18 118.68 126.51 3kfe s LEU 368 Ca 0.11 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 3kfe s LEU 368 Cb -0.17 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 3kfe s LEU 368 CO 0.12 -1.03 0.43 -0.63 -1.32 0.00 0.00 176.35 173.92 3kfe s ILE 369 N 3.33 5.04 0.01 6.68 1.01 0.75 -1.55 121.20 136.47 3kfe s ILE 369 Ca 0.25 0.62 -0.06 0.00 0.00 0.00 0.00 60.65 61.46 3kfe s ILE 369 Cb -0.14 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 3kfe s ILE 369 CO 0.18 0.35 0.11 -0.13 0.00 0.00 0.00 174.94 175.45 3kfe s ARG 370 N -1.71 0.46 -0.11 2.79 0.52 -1.26 -2.19 118.95 117.45 3kfe s ARG 370 Ca 0.31 -0.45 -0.32 0.00 -0.52 0.00 0.00 55.73 54.75 3kfe s ARG 370 Cb -0.15 0.19 0.12 0.00 0.52 0.00 0.00 34.95 35.63 3kfe s ARG 370 CO 0.17 -0.10 1.08 0.20 0.02 0.00 0.00 175.30 176.66 3kfe s GLY 371 N -1.43 -0.36 0.06 -3.53 0.00 -0.39 -0.64 107.32 101.02 3kfe s GLY 371 Ca -0.15 1.33 -0.29 0.00 0.00 0.00 0.00 44.72 45.62 3kfe s GLY 371 CO 0.01 0.44 1.44 -0.91 0.00 0.00 0.00 173.10 174.08 3kfe h THR 372 N 2.00 0.00 -5.81 0.90 1.35 -1.74 -3.37 112.91 106.24 3kfe h THR 372 Ca -0.15 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.35 3kfe h THR 372 Cb 1.20 0.00 0.03 0.00 -1.73 0.00 0.00 68.15 67.64 3kfe h THR 372 CO 0.26 0.00 -0.03 0.35 -0.25 0.00 0.00 175.52 175.85 3kfe n THR 373 N -4.86 0.00 0.06 6.82 -2.24 -1.26 -4.69 114.28 108.10 3kfe n THR 373 Ca -0.11 -1.41 -0.21 0.00 -2.27 0.00 0.00 64.05 60.05 3kfe n THR 373 Cb 0.39 -0.69 -0.15 0.00 -2.10 0.00 0.00 70.33 67.79 3kfe n THR 373 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3kfe h GLU 374 N 0.00 0.33 0.00 -0.78 4.57 -1.99 -2.79 114.58 113.92 3kfe h GLU 374 Ca -0.21 -0.56 0.00 0.00 -1.18 0.00 0.00 59.36 57.41 3kfe h GLU 374 Cb 0.93 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3kfe h GLU 374 CO 0.29 1.27 0.00 0.45 -1.18 0.00 0.00 179.01 179.84 3kfe h HIS 375 N -0.26 0.00 -0.24 0.92 3.86 -1.98 -0.51 115.15 116.94 3kfe h HIS 375 Ca -0.20 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 58.88 3kfe h HIS 375 Cb 1.77 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.24 3kfe h HIS 375 CO 0.17 0.00 -0.34 0.28 0.86 0.00 0.00 177.93 178.90 3kfe h VAL 376 N 0.00 1.31 -0.50 2.45 2.07 -1.96 -2.80 116.25 116.82 3kfe h VAL 376 Ca 0.00 -1.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 3kfe h VAL 376 Cb 0.76 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 3kfe h VAL 376 CO 0.00 0.48 0.11 0.40 0.02 0.00 0.00 177.57 178.58 3kfe h ILE 377 N 0.36 1.24 -0.02 4.57 2.04 -1.25 -2.93 117.51 121.53 3kfe h ILE 377 Ca 0.03 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 3kfe h ILE 377 Cb 0.92 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3kfe h ILE 377 CO 0.08 0.31 -0.37 -0.08 0.00 0.00 0.00 178.15 178.09 3kfe h GLU 378 N 0.69 0.04 0.00 2.37 4.81 -1.07 -1.89 114.58 119.52 3kfe h GLU 378 Ca 0.16 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 3kfe h GLU 378 Cb 0.35 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3kfe h GLU 378 CO 0.00 0.41 -1.19 1.49 -0.73 0.00 0.00 179.01 178.99 3kfe h GLU 379 N 0.03 0.00 0.00 1.92 4.57 -1.55 -2.73 114.58 116.81 3kfe h GLU 379 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 3kfe h GLU 379 Cb 0.68 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3kfe h GLU 379 CO 0.05 0.30 -0.23 0.28 -1.18 0.00 0.00 179.01 178.23 3kfe h VAL 380 N 0.00 1.04 -0.08 0.32 2.07 -1.30 -2.54 116.25 115.77 3kfe h VAL 380 Ca -0.12 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.47 3kfe h VAL 380 Cb 1.48 1.46 0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3kfe h VAL 380 CO 0.04 0.23 -0.40 0.00 0.02 0.00 0.00 177.57 177.46 3kfe h ALA 381 N 1.77 0.16 0.00 1.67 0.00 -1.29 -2.05 119.26 119.51 3kfe h ALA 381 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3kfe h ALA 381 Cb 0.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kfe h ALA 381 CO 0.03 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.48 3kfe h ARG 382 N -0.05 0.00 0.00 0.00 3.08 -1.39 -1.40 114.38 114.62 3kfe h ARG 382 Ca -0.03 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.77 3kfe h ARG 382 Cb 1.05 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.11 3kfe h ARG 382 CO 0.08 0.07 -1.02 0.00 -1.07 0.00 0.00 179.97 178.03 3kfe h ALA 383 N 1.93 0.19 -0.04 0.04 0.00 -1.28 -3.13 119.26 116.99 3kfe h ALA 383 Ca -0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 3kfe h ALA 383 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3kfe h ALA 383 CO 0.01 0.72 -0.31 0.28 0.00 0.00 0.00 179.25 179.96 3kfe h VAL 384 N 0.35 1.23 -0.09 0.00 2.07 -0.56 -2.24 116.25 117.02 3kfe h VAL 384 Ca -0.12 -1.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.19 3kfe h VAL 384 Cb 1.67 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 3kfe h VAL 384 CO 0.19 0.32 -0.39 0.44 0.02 0.00 0.00 177.57 178.16 3kfe h ASP 385 N 0.06 0.20 0.04 0.57 3.32 -1.33 -0.85 116.42 118.43 3kfe h ASP 385 Ca 0.01 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.78 3kfe h ASP 385 Cb 0.57 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.08 3kfe h ASP 385 CO 0.04 0.58 -0.78 0.44 -1.72 0.00 0.00 179.24 177.80 3kfe h ASP 386 N 0.17 0.63 0.33 6.45 3.32 -1.44 -2.56 116.42 123.32 3kfe h ASP 386 Ca 0.02 -0.79 -0.01 0.00 0.02 0.00 0.00 57.03 56.26 3kfe h ASP 386 Cb 0.77 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3kfe h ASP 386 CO 0.06 1.35 -0.35 0.00 -1.72 0.00 0.00 179.24 178.57 3kfe h ALA 387 N 0.29 -1.02 -0.30 3.45 0.00 -1.33 -2.16 119.26 118.18 3kfe h ALA 387 Ca -0.11 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.76 3kfe h ALA 387 Cb 1.50 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3kfe h ALA 387 CO 0.15 -1.05 0.58 0.28 0.00 0.00 0.00 179.25 179.22 3kfe h VAL 388 N -0.69 0.14 0.01 0.00 2.07 -1.22 0.42 116.25 116.98 3kfe h VAL 388 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3kfe h VAL 388 Cb 0.60 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3kfe h VAL 388 CO -0.05 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.76 3kfe h GLY 389 N 0.00 -0.02 1.95 2.17 0.00 -1.06 -2.72 103.07 103.39 3kfe h GLY 389 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 3kfe h GLY 389 CO -0.00 -0.01 -0.45 -0.39 0.00 0.00 0.00 176.54 175.69 3kfe h VAL 390 N -0.99 1.33 0.29 4.60 -1.51 -0.70 0.12 116.25 119.39 3kfe h VAL 390 Ca -0.00 -1.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 3kfe h VAL 390 Cb 0.60 1.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3kfe h VAL 390 CO 0.00 0.46 -0.14 0.58 -1.23 0.00 0.00 177.57 177.24 3kfe h VAL 391 N 0.05 0.75 -0.70 7.19 2.07 -1.11 -2.27 116.25 122.23 3kfe h VAL 391 Ca 0.00 -0.53 0.20 0.00 0.82 0.00 0.00 66.70 67.19 3kfe h VAL 391 Cb 0.82 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3kfe h VAL 391 CO 0.06 0.11 0.50 1.23 0.02 0.00 0.00 177.57 179.49 3kfe h GLY 392 N -0.67 0.07 2.00 2.17 0.00 -1.24 -1.61 103.07 103.78 3kfe h GLY 392 Ca -0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 3kfe h GLY 392 CO 0.06 0.00 -0.76 0.00 0.00 0.00 0.00 176.54 175.85 3kfe h THR 394 N 0.00 0.75 -0.92 0.00 2.02 -0.71 -1.01 112.91 113.04 3kfe h THR 394 Ca -0.01 -1.34 0.16 0.00 0.77 0.00 0.00 66.41 65.99 3kfe h THR 394 Cb 1.35 1.35 -0.16 0.00 -1.74 0.00 0.00 68.15 68.94 3kfe h THR 394 CO 0.10 0.23 -0.33 0.40 0.37 0.00 0.00 175.52 176.29 3kfe h ILE 395 N -0.96 0.05 0.41 3.11 2.04 -1.58 0.78 117.51 121.35 3kfe h ILE 395 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3kfe h ILE 395 Cb 0.47 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3kfe h ILE 395 CO 0.02 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.64 3kfe h GLU 396 N -0.02 -0.53 0.40 2.37 5.08 -1.42 -3.38 114.58 117.07 3kfe h GLU 396 Ca 0.36 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 3kfe h GLU 396 Cb 0.62 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kfe h GLU 396 CO -0.94 -0.25 -0.19 -0.44 -1.00 0.00 0.00 179.01 176.20 3kfe h ASP 397 N -0.78 -0.45 0.00 1.42 3.45 -0.78 -3.49 116.42 115.80 3kfe h ASP 397 Ca -0.06 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3kfe h ASP 397 Cb 0.53 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.42 3kfe h ASP 397 CO 0.09 -0.11 0.00 0.61 -1.57 0.00 0.00 179.24 178.26 3kfe n GLY 398 N 0.21 3.18 3.63 2.75 0.00 0.27 -5.06 105.19 110.17 3kfe n GLY 398 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3kfe n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kfe s ARG 399 N -0.90 2.53 0.19 1.61 0.52 -1.26 -0.13 118.95 121.51 3kfe s ARG 399 Ca 0.00 -0.78 -0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3kfe s ARG 399 Cb 0.00 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.93 3kfe s ARG 399 CO 0.00 0.58 0.17 0.96 0.02 0.00 0.00 175.30 177.03 3kfe s ILE 400 N -1.12 0.02 0.28 1.52 -4.36 -0.51 -2.23 121.20 114.80 3kfe s ILE 400 Ca 0.20 -1.87 0.05 0.00 -0.26 0.00 0.00 60.65 58.77 3kfe s ILE 400 Cb -0.11 -2.34 -0.02 0.00 1.25 0.00 0.00 42.46 41.24 3kfe s ILE 400 CO 0.11 -0.10 0.18 1.33 0.24 0.00 0.00 174.94 176.70 3kfe n VAL 401 N -0.25 0.00 -3.70 8.37 0.24 -0.14 -1.21 118.33 121.64 3kfe n VAL 401 Ca -0.00 -1.89 -0.37 0.00 -2.04 0.00 0.00 64.34 60.04 3kfe n VAL 401 Cb 0.65 0.85 -0.10 0.00 -1.47 0.00 0.00 33.84 33.76 3kfe n VAL 401 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kfe s SER 402 N -2.87 5.88 0.00 -1.34 1.04 -1.26 -1.09 113.70 114.06 3kfe s SER 402 Ca 0.26 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3kfe s SER 402 Cb 0.01 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.07 3kfe s SER 402 CO 0.18 0.04 0.00 0.61 0.98 0.00 0.00 173.24 175.05 3kfe n GLY 403 N 4.48 -1.01 2.45 7.32 0.00 0.21 -3.09 105.19 115.55 3kfe n GLY 403 Ca -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3kfe n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfe n GLY 404 N 3.12 0.50 1.57 -0.02 0.00 -1.26 -1.40 105.19 107.69 3kfe n GLY 404 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kfe n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kfe n GLY 405 N -2.14 0.58 0.11 -0.02 0.00 -1.26 -3.60 105.19 98.86 3kfe n GLY 405 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 3kfe n GLY 405 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kfe h SER 406 N 0.00 -0.24 0.00 1.61 0.87 -1.34 -2.92 113.55 111.52 3kfe h SER 406 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 3kfe h SER 406 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3kfe h SER 406 CO 0.00 -0.16 0.00 0.35 -0.53 0.00 0.00 176.83 176.49 3kfe n THR 407 N -2.82 0.00 -0.04 2.23 -2.24 -1.18 -1.34 114.28 108.89 3kfe n THR 407 Ca -0.04 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 3kfe n THR 407 Cb 0.11 -0.33 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 3kfe n THR 407 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kfe n GLU 408 N -0.57 0.69 -0.02 -0.78 4.71 -1.14 -2.52 120.64 121.01 3kfe n GLU 408 Ca 0.02 0.21 -0.18 0.00 -0.01 0.00 0.00 57.16 57.20 3kfe n GLU 408 Cb 0.01 -1.67 -0.08 0.00 -1.01 0.00 0.00 31.44 28.69 3kfe n GLU 408 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kfe h VAL 409 N 0.03 1.28 0.10 2.62 2.07 -1.03 -1.49 116.25 119.83 3kfe h VAL 409 Ca -0.43 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 3kfe h VAL 409 Cb 2.03 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.84 3kfe h VAL 409 CO 0.04 0.63 -0.06 -0.08 0.02 0.00 0.00 177.57 178.12 3kfe h GLU 410 N 0.51 -0.14 0.00 1.57 4.57 -1.61 -2.23 114.58 117.25 3kfe h GLU 410 Ca -0.06 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kfe h GLU 410 Cb 1.43 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 3kfe h GLU 410 CO 0.16 -0.09 0.55 1.25 -1.18 0.00 0.00 179.01 179.70 3kfe h LEU 411 N -0.15 0.00 0.06 1.64 5.85 -1.54 -0.10 115.31 121.08 3kfe h LEU 411 Ca -0.01 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.36 3kfe h LEU 411 Cb 0.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3kfe h LEU 411 CO 0.01 0.00 -2.02 -1.54 -0.34 0.00 0.00 178.44 174.55 3kfe n SER 412 N -2.62 1.58 0.02 1.25 3.41 -0.56 -2.82 113.62 113.88 3kfe n SER 412 Ca -0.01 0.20 -0.19 0.00 -0.26 0.00 0.00 58.87 58.61 3kfe n SER 412 Cb 0.58 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 3kfe n SER 412 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kfe h MET 413 N 0.04 0.67 -0.41 4.33 -0.00 -0.42 -1.97 114.93 117.16 3kfe h MET 413 Ca -0.42 -0.68 0.05 0.00 -0.00 0.00 0.00 59.70 58.65 3kfe h MET 413 Cb 2.03 0.18 -0.04 0.00 -0.00 0.00 0.00 31.60 33.77 3kfe h MET 413 CO 0.06 1.27 0.16 0.87 -0.00 0.00 0.00 176.91 179.27 3kfe h LYS 414 N 0.33 0.32 -0.09 -0.10 1.79 -1.54 0.37 116.57 117.65 3kfe h LYS 414 Ca -0.11 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3kfe h LYS 414 Cb 1.57 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 32.15 3kfe h LYS 414 CO 0.18 0.21 0.08 -0.07 -1.08 0.00 0.00 179.45 178.77 3kfe h LEU 415 N 0.33 0.00 -0.08 2.94 3.38 -1.50 -1.55 115.31 118.83 3kfe h LEU 415 Ca 0.19 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.92 3kfe h LEU 415 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kfe h LEU 415 CO -0.18 0.00 -1.04 -0.09 0.09 0.00 0.00 178.44 177.21 3kfe h ARG 416 N 0.00 0.33 -0.07 1.13 2.43 -0.15 -2.34 114.38 115.72 3kfe h ARG 416 Ca 0.04 -0.42 -0.18 0.00 -0.81 0.00 0.00 59.98 58.61 3kfe h ARG 416 Cb 0.20 0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3kfe h ARG 416 CO -0.00 1.13 -0.67 1.05 -1.51 0.00 0.00 179.97 179.97 3kfe h GLU 417 N 0.16 0.57 -0.09 0.20 4.11 -1.07 -2.82 114.58 115.64 3kfe h GLU 417 Ca -0.10 -0.52 0.03 0.00 0.07 0.00 0.00 59.36 58.84 3kfe h GLU 417 Cb 1.71 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 31.09 3kfe h GLU 417 CO 0.17 1.15 0.41 -0.92 0.07 0.00 0.00 179.01 179.90 3kfe h TYR 418 N 0.18 0.00 0.00 2.06 3.20 -1.24 0.88 116.97 122.06 3kfe h TYR 418 Ca -0.06 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.67 3kfe h TYR 418 Cb 1.33 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 3kfe h TYR 418 CO 0.12 0.00 -0.67 0.00 -1.64 0.00 0.00 178.16 175.97 3kfe h ALA 419 N 1.26 0.75 -0.01 1.82 0.00 -1.15 -3.20 119.26 118.73 3kfe h ALA 419 Ca 0.04 -0.61 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 3kfe h ALA 419 Cb 0.87 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kfe h ALA 419 CO -0.00 0.83 -0.89 0.93 0.00 0.00 0.00 179.25 180.13 3kfe h GLU 420 N 0.00 0.35 -1.02 0.00 5.08 -0.86 -2.96 114.58 115.17 3kfe h GLU 420 Ca -0.01 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3kfe h GLU 420 Cb 1.29 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3kfe h GLU 420 CO 0.09 1.04 0.00 0.41 -1.00 0.00 0.00 179.01 179.55 3kfe n GLY 421 N 0.86 0.92 3.04 -3.84 0.00 -1.21 -4.60 105.19 100.36 3kfe n GLY 421 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3kfe n GLY 421 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kfe s ILE 422 N -0.23 1.72 0.03 -0.61 1.01 -1.12 -5.10 121.20 116.89 3kfe s ILE 422 Ca 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3kfe s ILE 422 Cb 0.00 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.78 3kfe s ILE 422 CO 0.00 0.43 0.47 -0.94 0.00 0.00 0.00 174.94 174.90 3kfe s SER 423 N 1.42 6.91 0.00 3.58 1.04 -1.26 -4.68 113.70 120.70 3kfe s SER 423 Ca 0.04 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.55 3kfe s SER 423 Cb -0.13 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.69 3kfe s SER 423 CO -0.11 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3kfe n GLY 424 N 1.80 1.07 0.31 7.32 0.00 -1.26 -4.69 105.19 109.74 3kfe n GLY 424 Ca -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 3kfe n GLY 424 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kfe h ARG 425 N 0.00 1.07 0.00 1.61 3.08 -1.99 -2.79 114.38 115.36 3kfe h ARG 425 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3kfe h ARG 425 Cb 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3kfe h ARG 425 CO 0.00 0.83 0.37 -0.85 -1.07 0.00 0.00 179.97 179.25 3kfe n GLU 426 N -4.41 0.01 -0.05 0.04 0.28 -1.26 0.14 120.64 115.39 3kfe n GLU 426 Ca 0.06 0.22 -0.12 0.00 -0.16 0.00 0.00 57.16 57.17 3kfe n GLU 426 Cb 0.13 -1.90 -0.06 0.00 1.43 0.00 0.00 31.44 31.03 3kfe n GLU 426 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 3kfe h GLN 427 N 0.00 0.28 -0.74 3.44 4.15 -1.77 -2.78 115.11 117.69 3kfe h GLN 427 Ca 0.00 -0.11 0.12 0.00 0.77 0.00 0.00 58.65 59.43 3kfe h GLN 427 Cb 0.74 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.33 3kfe h GLN 427 CO 0.00 0.56 0.33 -0.07 -1.93 0.00 0.00 178.83 177.72 3kfe h LEU 428 N -0.02 0.38 -0.10 -2.39 3.38 0.10 -1.27 115.31 115.40 3kfe h LEU 428 Ca 0.04 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3kfe h LEU 428 Cb 0.46 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3kfe h LEU 428 CO 0.01 0.19 -0.38 0.00 0.09 0.00 0.00 178.44 178.36 3kfe h ALA 429 N 1.49 -0.51 -0.64 1.53 0.00 -1.64 -1.16 119.26 118.32 3kfe h ALA 429 Ca 0.38 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3kfe h ALA 429 Cb 0.50 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3kfe h ALA 429 CO -0.33 -0.88 0.43 0.28 0.00 0.00 0.00 179.25 178.75 3kfe h VAL 430 N -0.47 1.13 -0.27 0.00 2.07 -0.98 0.11 116.25 117.85 3kfe h VAL 430 Ca 0.08 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 3kfe h VAL 430 Cb 0.60 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3kfe h VAL 430 CO -0.36 0.15 -0.21 0.03 0.02 0.00 0.00 177.57 177.20 3kfe h ARG 431 N 0.83 0.62 -0.87 1.57 3.08 -1.20 -1.76 114.38 116.64 3kfe h ARG 431 Ca 0.25 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3kfe h ARG 431 Cb -0.03 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.97 3kfe h ARG 431 CO -0.06 0.90 0.56 0.00 -1.07 0.00 0.00 179.97 180.30 3kfe h ALA 432 N 0.71 1.57 -0.14 0.04 0.00 -0.36 0.17 119.26 121.26 3kfe h ALA 432 Ca 0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3kfe h ALA 432 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kfe h ALA 432 CO 0.05 0.29 -0.46 0.35 0.00 0.00 0.00 179.25 179.48 3kfe h PHE 433 N 0.95 0.42 -0.21 0.00 3.57 -0.68 -0.25 116.94 120.74 3kfe h PHE 433 Ca 0.38 -0.13 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3kfe h PHE 433 Cb 0.25 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3kfe h PHE 433 CO -0.00 0.75 -0.31 0.00 -2.23 0.00 0.00 178.31 176.51 3kfe h ALA 434 N 1.23 0.32 -0.13 2.41 0.00 -0.38 -3.15 119.26 119.56 3kfe h ALA 434 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3kfe h ALA 434 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3kfe h ALA 434 CO 0.08 0.35 -0.23 -0.44 0.00 0.00 0.00 179.25 179.01 3kfe h ASP 435 N 0.26 0.23 -0.44 0.00 3.32 -0.64 -3.09 116.42 116.07 3kfe h ASP 435 Ca 0.02 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.07 3kfe h ASP 435 Cb 0.90 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.33 3kfe h ASP 435 CO 0.07 0.47 0.10 0.00 -1.72 0.00 0.00 179.24 178.17 3kfe h ALA 436 N 1.55 0.49 0.00 3.45 0.00 -1.00 -2.64 119.26 121.11 3kfe h ALA 436 Ca 0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kfe h ALA 436 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kfe h ALA 436 CO 0.04 -0.30 0.00 -0.07 0.00 0.00 0.00 179.25 178.91 3kfe h LEU 437 N 0.24 0.00 0.00 0.00 3.38 -1.57 -1.13 115.31 116.23 3kfe h LEU 437 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kfe h LEU 437 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kfe h LEU 437 CO -0.27 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.64 3kfe n GLU 438 N -2.33 0.85 0.17 1.13 1.02 -1.00 -3.16 120.64 117.33 3kfe n GLU 438 Ca -0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 3kfe n GLU 438 Cb 0.11 -1.15 0.11 0.00 -0.02 0.00 0.00 31.44 30.50 3kfe n GLU 438 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kfe h VAL 439 N 0.00 0.54 -0.01 2.62 3.04 -1.39 -2.40 116.25 118.66 3kfe h VAL 439 Ca 0.00 -1.72 -0.07 0.00 -1.01 0.00 0.00 66.70 63.90 3kfe h VAL 439 Cb 0.00 2.23 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 3kfe h VAL 439 CO 0.00 0.30 -0.28 0.40 -1.01 0.00 0.00 177.57 176.98 3kfe h ILE 440 N 0.00 1.52 -0.77 3.17 1.08 -1.80 -0.62 117.51 120.09 3kfe h ILE 440 Ca -0.00 -1.91 -0.04 0.00 -0.39 0.00 0.00 64.86 62.52 3kfe h ILE 440 Cb 1.20 2.68 -0.04 0.00 -3.07 0.00 0.00 36.82 37.60 3kfe h ILE 440 CO 0.04 0.53 0.34 -0.65 -0.69 0.00 0.00 178.15 177.72 3kfe h PRO 441 N -0.42 1.13 0.34 2.37 0.11 -1.78 -2.25 132.00 131.50 3kfe h PRO 441 Ca -0.03 -0.18 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3kfe h PRO 441 Cb 1.01 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3kfe h PRO 441 CO 0.06 0.89 -0.16 -0.09 -0.21 0.00 0.00 178.00 178.49 3kfe h ARG 442 N 1.11 -0.44 0.00 1.05 2.43 -1.35 -2.45 114.38 114.73 3kfe h ARG 442 Ca 0.26 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3kfe h ARG 442 Cb 0.16 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3kfe h ARG 442 CO -0.03 -0.22 -0.36 1.79 -1.51 0.00 0.00 179.97 179.64 3kfe h THR 443 N -0.56 0.89 -0.75 0.20 1.35 -1.16 -2.09 112.91 110.79 3kfe h THR 443 Ca -0.05 -1.44 -0.03 0.00 -0.55 0.00 0.00 66.41 64.35 3kfe h THR 443 Cb 0.41 1.87 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 3kfe h THR 443 CO 0.08 0.35 0.35 -0.07 -0.25 0.00 0.00 175.52 175.98 3kfe h LEU 444 N 0.00 0.98 -0.13 3.87 3.38 -1.24 -2.59 115.31 119.58 3kfe h LEU 444 Ca -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kfe h LEU 444 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kfe h LEU 444 CO 0.05 0.83 0.05 0.00 0.09 0.00 0.00 178.44 179.46 3kfe h ALA 445 N 1.32 0.17 0.04 1.53 0.00 -1.04 -3.10 119.26 118.18 3kfe h ALA 445 Ca 0.26 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3kfe h ALA 445 Cb 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3kfe h ALA 445 CO -0.03 -0.23 -0.50 0.93 0.00 0.00 0.00 179.25 179.42 3kfe h GLU 446 N 0.05 -0.65 -0.27 0.00 5.08 -1.05 -1.81 114.58 115.93 3kfe h GLU 446 Ca 0.04 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kfe h GLU 446 Cb 0.19 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3kfe h GLU 446 CO -0.00 -0.43 0.17 -0.91 -1.00 0.00 0.00 179.01 176.84 3kfe h ASN 447 N -0.67 0.32 0.71 1.42 2.35 -1.57 0.53 115.58 118.66 3kfe h ASN 447 Ca 0.02 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kfe h ASN 447 Cb 0.72 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 3kfe h ASN 447 CO -0.32 0.24 -0.19 0.00 -1.65 0.00 0.00 177.43 175.51 3kfe h ALA 448 N 1.81 1.11 0.00 -0.83 0.00 -1.31 -3.44 119.26 116.60 3kfe h ALA 448 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kfe h ALA 448 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kfe h ALA 448 CO -0.02 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3kfe n GLY 449 N -0.16 0.65 3.72 0.00 0.00 0.18 -5.08 105.19 104.50 3kfe n GLY 449 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kfe n GLY 449 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfe s LEU 450 N 0.00 1.83 -0.71 0.99 1.02 -0.83 -4.94 118.68 116.04 3kfe s LEU 450 Ca 0.00 1.13 -0.26 0.00 0.02 0.00 0.00 54.13 55.02 3kfe s LEU 450 Cb 0.00 -3.40 0.04 0.00 0.02 0.00 0.00 46.19 42.85 3kfe s LEU 450 CO 0.00 -2.85 1.21 -0.62 0.02 0.00 0.00 176.35 174.12 3kfe s ASP 451 N -3.68 6.18 0.28 2.29 3.68 -1.26 -4.32 116.67 119.85 3kfe s ASP 451 Ca 0.64 -0.51 0.03 0.00 2.13 0.00 0.00 52.55 54.84 3kfe s ASP 451 Cb -0.17 -2.53 0.66 0.00 -1.45 0.00 0.00 42.92 39.43 3kfe s ASP 451 CO 0.56 -1.74 1.74 0.00 0.13 0.00 0.00 175.17 175.86 3kfe h ALA 452 N 9.91 1.43 -0.26 3.66 0.00 -1.87 -2.81 119.26 129.31 3kfe h ALA 452 Ca -0.28 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3kfe h ALA 452 Cb 1.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kfe h ALA 452 CO 1.25 -0.19 -0.20 0.82 0.00 0.00 0.00 179.25 180.93 3kfe h ILE 453 N 0.56 1.31 0.59 0.00 2.04 -1.94 -2.03 117.51 118.04 3kfe h ILE 453 Ca 0.53 -1.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3kfe h ILE 453 Cb 0.88 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3kfe h ILE 453 CO -0.43 0.42 -0.28 -0.08 0.00 0.00 0.00 178.15 177.78 3kfe h GLU 454 N 0.33 -0.77 -1.12 2.37 4.57 -1.94 -2.90 114.58 115.12 3kfe h GLU 454 Ca 0.05 0.05 0.37 0.00 -1.18 0.00 0.00 59.36 58.66 3kfe h GLU 454 Cb 0.75 0.17 -0.14 0.00 -0.16 0.00 0.00 28.75 29.37 3kfe h GLU 454 CO 0.05 -0.51 0.68 0.82 -1.18 0.00 0.00 179.01 178.87 3kfe h ILE 455 N -0.99 0.21 -0.24 2.32 2.04 -1.57 1.50 117.51 120.79 3kfe h ILE 455 Ca -0.08 -0.07 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3kfe h ILE 455 Cb 0.61 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3kfe h ILE 455 CO 0.13 0.04 -0.22 0.25 0.00 0.00 0.00 178.15 178.35 3kfe h LEU 456 N 0.19 0.43 -0.17 1.44 5.85 -1.28 -1.25 115.31 120.52 3kfe h LEU 456 Ca 0.77 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 59.22 3kfe h LEU 456 Cb 2.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.00 3kfe h LEU 456 CO -0.53 0.66 -0.43 0.58 -0.34 0.00 0.00 178.44 178.38 3kfe h VAL 457 N 0.39 1.34 0.05 1.05 2.07 0.23 -1.88 116.25 119.50 3kfe h VAL 457 Ca 0.06 -1.68 0.01 0.00 0.82 0.00 0.00 66.70 65.91 3kfe h VAL 457 Cb 0.60 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3kfe h VAL 457 CO 0.04 0.52 -0.12 0.11 0.02 0.00 0.00 177.57 178.14 3kfe h LYS 458 N 0.25 -0.22 0.00 1.57 1.57 -1.03 -1.09 116.57 117.63 3kfe h LYS 458 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kfe h LYS 458 Cb 1.04 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kfe h LYS 458 CO 0.09 -0.14 0.00 0.28 -0.57 0.00 0.00 179.45 179.11 3kfe h VAL 459 N -0.22 0.00 0.00 0.50 2.07 -1.25 -2.25 116.25 115.09 3kfe h VAL 459 Ca 0.02 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3kfe h VAL 459 Cb 0.25 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kfe h VAL 459 CO -0.08 0.00 -1.16 -0.09 0.02 0.00 0.00 177.57 176.26 3kfe h ARG 460 N 0.00 0.00 0.01 1.57 2.43 -0.45 -3.33 114.38 114.61 3kfe h ARG 460 Ca 0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3kfe h ARG 460 Cb 0.20 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3kfe h ARG 460 CO 0.00 0.20 -0.98 0.00 -1.51 0.00 0.00 179.97 177.68 3kfe h ALA 461 N 1.64 0.10 0.00 2.80 0.00 -0.73 -3.25 119.26 119.83 3kfe h ALA 461 Ca -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.14 3kfe h ALA 461 Cb 1.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3kfe h ALA 461 CO 0.03 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3kfe n ALA 462 N -2.64 1.92 -0.61 0.00 0.00 -0.89 -1.89 120.51 116.39 3kfe n ALA 462 Ca -0.11 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.35 3kfe n ALA 462 Cb 0.85 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 19.31 3kfe n ALA 462 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kfe n HIS 463 N -0.65 0.00 -1.31 0.00 -0.00 -1.23 -0.78 115.22 111.25 3kfe n HIS 463 Ca 0.03 -0.70 -0.39 0.00 -0.00 0.00 0.00 57.72 56.65 3kfe n HIS 463 Cb 0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.99 29.88 3kfe n HIS 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kfe n ALA 464 N -0.91 4.72 0.00 -1.41 0.00 -0.79 -4.49 120.51 117.63 3kfe n ALA 464 Ca 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 53.44 50.18 3kfe n ALA 464 Cb 0.46 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3kfe n ALA 464 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kfe n SER 465 N 6.13 0.00 0.00 0.00 3.41 -1.26 -4.84 113.62 117.06 3kfe n SER 465 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3kfe n SER 465 Cb 0.34 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3kfe n SER 465 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kfe n ASN 466 N 0.19 0.00 -3.27 4.04 6.94 -1.26 -5.04 115.26 116.86 3kfe n ASN 466 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 54.58 54.36 3kfe n ASN 466 Cb 0.00 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 37.56 3kfe n ASN 466 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kfe n GLY 467 N 4.45 -1.41 0.05 4.83 0.00 -1.26 -4.82 105.19 107.03 3kfe n GLY 467 Ca 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 3kfe n GLY 467 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kfe n ASN 468 N -3.59 1.97 0.00 1.61 3.02 0.04 -3.64 115.26 114.66 3kfe n ASN 468 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3kfe n ASN 468 Cb 0.39 0.91 0.00 0.00 -0.61 0.00 0.00 39.78 40.46 3kfe n ASN 468 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kfe n LYS 469 N -2.39 0.00 -0.05 3.52 2.85 -1.26 -4.53 118.16 116.29 3kfe n LYS 469 Ca -0.18 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.09 3kfe n LYS 469 Cb 0.83 -3.04 0.01 0.00 -0.65 0.00 0.00 35.03 32.18 3kfe n LYS 469 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kfe s ALA 471 N -0.64 3.27 0.23 0.00 0.00 -1.26 -0.09 121.76 123.26 3kfe s ALA 471 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3kfe s ALA 471 Cb 0.02 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3kfe s ALA 471 CO 0.00 -2.15 0.10 0.20 0.00 0.00 0.00 175.76 173.91 3kfe s GLY 472 N 2.65 1.59 -0.25 0.00 0.00 -0.62 -4.69 107.32 106.00 3kfe s GLY 472 Ca 0.24 -1.79 -0.26 0.00 0.00 0.00 0.00 44.72 42.91 3kfe s GLY 472 CO 0.17 -1.52 0.92 -2.27 0.00 0.00 0.00 173.10 170.40 3kfe s LEU 473 N -3.25 4.07 -0.34 0.66 2.96 -1.24 -0.42 118.68 121.13 3kfe s LEU 473 Ca 0.37 1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 55.17 3kfe s LEU 473 Cb 0.07 -3.33 0.00 0.00 0.50 0.00 0.00 46.19 43.44 3kfe s LEU 473 CO 0.12 -0.62 0.74 0.21 -1.32 0.00 0.00 176.35 175.49 3kfe s ASN 474 N 1.36 6.55 0.00 3.68 3.84 -1.18 -4.83 114.94 124.36 3kfe s ASN 474 Ca 0.39 0.40 0.19 0.00 0.21 0.00 0.00 52.86 54.05 3kfe s ASN 474 Cb -0.15 -2.38 0.87 0.00 -0.55 0.00 0.00 41.25 39.04 3kfe s ASN 474 CO 0.08 -0.65 1.61 1.33 -2.79 0.00 0.00 177.10 176.69 3kfe n VAL 475 N 5.64 0.60 -0.06 -5.21 0.24 -1.26 0.16 118.33 118.44 3kfe n VAL 475 Ca 0.02 0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.42 3kfe n VAL 475 Cb 0.48 -0.82 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 3kfe n VAL 475 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3kfe n PHE 476 N -1.43 0.55 -0.32 6.34 3.72 -1.26 -4.38 117.46 120.68 3kfe n PHE 476 Ca 0.06 0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.62 3kfe n PHE 476 Cb 0.20 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 38.06 3kfe n PHE 476 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3kfe n THR 477 N -4.17 -0.51 0.00 4.37 -1.04 -1.20 -4.83 114.28 106.90 3kfe n THR 477 Ca -0.07 2.04 0.00 0.00 -2.04 0.00 0.00 64.05 63.98 3kfe n THR 477 Cb 0.28 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.24 3kfe n THR 477 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kfe n GLY 478 N -1.19 3.09 3.64 3.41 0.00 0.12 -5.06 105.19 109.21 3kfe n GLY 478 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3kfe n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfe s ALA 479 N -2.77 3.20 -0.01 4.61 0.00 -1.25 -4.89 121.76 120.66 3kfe s ALA 479 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 3kfe s ALA 479 Cb 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 3kfe s ALA 479 CO 0.00 0.17 1.20 0.54 0.00 0.00 0.00 175.76 177.67 3kfe s VAL 480 N -2.41 4.17 0.13 0.00 0.11 -1.26 -3.12 120.40 118.03 3kfe s VAL 480 Ca 0.33 1.53 0.01 0.00 -2.93 0.00 0.00 61.98 60.92 3kfe s VAL 480 Cb -0.04 -3.98 -0.00 0.00 -1.53 0.00 0.00 36.38 30.82 3kfe s VAL 480 CO 0.20 0.05 0.03 -0.62 -3.33 0.00 0.00 175.10 171.43 3kfe n GLU 481 N 4.69 1.04 -3.27 1.54 1.02 0.44 -4.91 120.64 121.18 3kfe n GLU 481 Ca 0.10 -1.09 -0.44 0.00 -0.02 0.00 0.00 57.16 55.71 3kfe n GLU 481 Cb 0.46 0.51 -0.06 0.00 -0.02 0.00 0.00 31.44 32.33 3kfe n GLU 481 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kfe s ASP 482 N -1.80 6.18 0.33 1.62 -1.08 -1.26 -1.59 116.67 119.07 3kfe s ASP 482 Ca 0.05 -1.29 0.07 0.00 -0.52 0.00 0.00 52.55 50.86 3kfe s ASP 482 Cb 0.00 -2.23 0.57 0.00 -1.46 0.00 0.00 42.92 39.80 3kfe s ASP 482 CO 0.03 -0.81 1.78 0.24 0.52 0.00 0.00 175.17 176.94 3kfe h MET 483 N 8.90 0.26 -0.36 4.34 2.86 -0.81 -1.72 114.93 128.40 3kfe h MET 483 Ca -0.29 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3kfe h MET 483 Cb 1.10 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3kfe h MET 483 CO 0.96 0.53 0.12 0.00 1.06 0.00 0.00 176.91 179.57 3kfe h GLU 485 N 0.51 0.00 0.00 0.00 5.08 -1.78 -3.21 114.58 115.17 3kfe h GLU 485 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kfe h GLU 485 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3kfe h GLU 485 CO -0.01 0.59 0.00 0.09 -1.00 0.00 0.00 179.01 178.68 3kfe n ASN 486 N -3.12 0.00 -0.83 1.42 4.13 -0.70 -4.90 115.26 111.26 3kfe n ASN 486 Ca -0.08 -1.28 -0.06 0.00 1.68 0.00 0.00 54.58 54.84 3kfe n ASN 486 Cb 0.93 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.17 3kfe n ASN 486 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kfe n GLY 487 N 0.81 0.24 3.24 7.41 0.00 -1.01 -5.00 105.19 110.89 3kfe n GLY 487 Ca 0.16 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3kfe n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kfe s VAL 488 N -2.49 4.77 0.08 1.61 1.01 -0.47 -4.68 120.40 120.24 3kfe s VAL 488 Ca 0.04 -2.25 0.04 0.00 0.00 0.00 0.00 61.98 59.81 3kfe s VAL 488 Cb -0.02 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 3kfe s VAL 488 CO 0.05 -0.91 -0.11 0.68 0.00 0.00 0.00 175.10 174.82 3kfe s VAL 489 N 0.65 0.91 -0.07 2.92 -7.23 -1.26 -0.62 120.40 115.70 3kfe s VAL 489 Ca 0.12 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 3kfe s VAL 489 Cb -0.20 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.59 3kfe s VAL 489 CO -0.04 -0.46 0.18 -1.61 -0.31 0.00 0.00 175.10 172.86 3kfe s GLU 490 N -2.39 0.17 0.78 4.82 2.02 -0.25 -4.62 118.70 119.23 3kfe s GLU 490 Ca 0.02 0.33 -0.16 0.00 0.02 0.00 0.00 54.97 55.17 3kfe s GLU 490 Cb -0.05 -0.02 -0.07 0.00 0.10 0.00 0.00 34.13 34.08 3kfe s GLU 490 CO 0.01 -0.09 0.09 -2.30 0.02 0.00 0.00 175.26 172.99 3kfe n PRO 491 N 3.55 0.09 0.06 0.39 -0.02 -1.26 -0.96 135.00 136.84 3kfe n PRO 491 Ca -0.19 0.06 -0.05 0.00 -2.02 0.00 0.00 63.50 61.30 3kfe n PRO 491 Cb 0.56 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.69 3kfe n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3kfe h LEU 492 N -0.62 0.38 -2.15 2.45 5.85 -1.75 -2.95 115.31 116.52 3kfe h LEU 492 Ca -0.44 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.16 3kfe h LEU 492 Cb 1.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3kfe h LEU 492 CO 0.37 0.80 0.29 -0.09 -0.34 0.00 0.00 178.44 179.47 3kfe h ARG 493 N 0.28 0.00 -0.47 1.25 2.43 -1.88 -0.71 114.38 115.29 3kfe h ARG 493 Ca 0.02 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3kfe h ARG 493 Cb 0.94 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.47 3kfe h ARG 493 CO 0.08 0.00 0.05 0.28 -1.51 0.00 0.00 179.97 178.87 3kfe h VAL 494 N 0.00 1.25 0.00 0.20 2.07 -1.85 -2.20 116.25 115.72 3kfe h VAL 494 Ca 0.11 -0.95 -0.16 0.00 0.82 0.00 0.00 66.70 66.52 3kfe h VAL 494 Cb 0.69 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3kfe h VAL 494 CO -0.00 0.33 -1.37 0.11 0.02 0.00 0.00 177.57 176.66 3kfe h LYS 495 N 0.65 0.00 0.13 1.57 1.79 -1.32 -2.59 116.57 116.80 3kfe h LYS 495 Ca 0.14 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3kfe h LYS 495 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3kfe h LYS 495 CO 0.01 0.27 -0.06 1.79 -1.08 0.00 0.00 179.45 180.38 3kfe h THR 496 N 0.00 0.51 -0.47 -0.16 1.35 -1.50 -1.80 112.91 110.85 3kfe h THR 496 Ca -0.15 -1.15 0.08 0.00 -0.55 0.00 0.00 66.41 64.64 3kfe h THR 496 Cb 1.54 0.92 -0.07 0.00 -1.73 0.00 0.00 68.15 68.81 3kfe h THR 496 CO 0.04 0.15 0.04 -0.61 -0.25 0.00 0.00 175.52 174.90 3kfe h GLN 497 N -0.99 0.16 -0.07 4.72 5.75 -1.54 -1.39 115.11 121.75 3kfe h GLN 497 Ca -0.02 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3kfe h GLN 497 Cb 0.39 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 3kfe h GLN 497 CO 0.03 0.11 0.04 0.00 -2.65 0.00 0.00 178.83 176.36 3kfe h ALA 498 N 1.39 0.09 -0.17 3.38 0.00 -1.54 -1.37 119.26 121.04 3kfe h ALA 498 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kfe h ALA 498 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kfe h ALA 498 CO -0.35 -0.39 -0.09 0.82 0.00 0.00 0.00 179.25 179.24 3kfe h ILE 499 N 0.06 1.17 0.14 0.00 2.04 -1.02 -1.58 117.51 118.31 3kfe h ILE 499 Ca 0.03 -0.71 -0.32 0.00 1.00 0.00 0.00 64.86 64.85 3kfe h ILE 499 Cb 0.03 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 3kfe h ILE 499 CO -0.00 0.23 -1.61 -0.61 0.00 0.00 0.00 178.15 176.15 3kfe h GLN 500 N 0.26 0.30 0.00 2.37 4.15 -0.96 -2.18 115.11 119.05 3kfe h GLN 500 Ca 0.05 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 58.91 3kfe h GLN 500 Cb 0.33 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3kfe h GLN 500 CO 0.02 1.17 -0.30 0.66 -1.93 0.00 0.00 178.83 178.45 3kfe h SER 501 N 0.08 0.00 0.03 -0.69 4.64 -1.26 0.13 113.55 116.48 3kfe h SER 501 Ca -0.28 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 3kfe h SER 501 Cb 2.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.13 3kfe h SER 501 CO 0.17 0.30 -0.56 0.00 -0.87 0.00 0.00 176.83 175.86 3kfe h ALA 502 N 1.70 0.68 0.08 5.18 0.00 -1.33 -2.91 119.26 122.65 3kfe h ALA 502 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kfe h ALA 502 Cb 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3kfe h ALA 502 CO 0.04 0.69 -0.04 0.00 0.00 0.00 0.00 179.25 179.94 3kfe h ALA 503 N 0.95 -0.11 -0.63 0.00 0.00 -0.91 -3.04 119.26 115.53 3kfe h ALA 503 Ca 0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3kfe h ALA 503 Cb 1.11 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3kfe h ALA 503 CO 0.11 -0.25 0.38 0.93 0.00 0.00 0.00 179.25 180.42 3kfe h GLU 504 N -0.73 0.71 -0.07 0.00 5.08 -0.84 -0.88 114.58 117.85 3kfe h GLU 504 Ca -0.01 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3kfe h GLU 504 Cb 0.58 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3kfe h GLU 504 CO 0.02 0.47 -0.40 0.66 -1.00 0.00 0.00 179.01 178.76 3kfe h SER 505 N 0.73 0.47 0.34 1.42 4.64 -1.65 -2.67 113.55 116.83 3kfe h SER 505 Ca 0.26 -0.66 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 3kfe h SER 505 Cb 0.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3kfe h SER 505 CO -0.12 1.06 -0.20 0.71 -0.87 0.00 0.00 176.83 177.40 3kfe h THR 506 N -0.09 0.90 0.02 2.95 1.35 -1.41 -1.40 112.91 115.24 3kfe h THR 506 Ca -0.03 -0.76 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3kfe h THR 506 Cb 1.05 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3kfe h THR 506 CO 0.08 0.20 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.21 3kfe h GLU 507 N 0.00 -0.03 -0.18 4.72 5.08 -1.15 -2.17 114.58 120.85 3kfe h GLU 507 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3kfe h GLU 507 Cb 0.43 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3kfe h GLU 507 CO 0.03 0.09 -0.14 0.00 -1.00 0.00 0.00 179.01 177.98 3kfe h MET 508 N -0.14 0.30 -0.44 2.33 -0.00 -0.99 -2.88 114.93 113.12 3kfe h MET 508 Ca -0.00 -0.08 -0.13 0.00 -0.00 0.00 0.00 59.70 59.49 3kfe h MET 508 Cb 0.13 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.68 3kfe h MET 508 CO 0.00 0.45 -0.23 -0.07 -0.00 0.00 0.00 176.91 177.06 3kfe h LEU 509 N 0.28 0.93 -1.56 -0.10 3.38 -1.08 -2.97 115.31 114.20 3kfe h LEU 509 Ca 0.06 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3kfe h LEU 509 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3kfe h LEU 509 CO 0.03 1.12 -0.11 -0.07 0.09 0.00 0.00 178.44 179.49 3kfe h LEU 510 N 0.78 0.00 0.00 1.67 3.38 -1.17 -2.20 115.31 117.77 3kfe h LEU 510 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kfe h LEU 510 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3kfe h LEU 510 CO 0.07 0.11 0.00 0.54 0.09 0.00 0.00 178.44 179.25 3kfe n ARG 511 N -3.33 0.02 -3.16 1.13 1.74 -1.12 -4.77 116.66 107.16 3kfe n ARG 511 Ca -0.00 0.15 -0.39 0.00 -0.77 0.00 0.00 57.85 56.84 3kfe n ARG 511 Cb 0.32 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 3kfe n ARG 511 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kfe s ILE 512 N -2.97 5.09 0.00 0.55 1.01 -0.83 -4.93 121.20 119.11 3kfe s ILE 512 Ca 0.10 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.99 3kfe s ILE 512 Cb 0.13 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.65 3kfe s ILE 512 CO 0.36 0.30 0.00 -0.90 0.00 0.00 0.00 174.94 174.70 3kfe n ASP 513 N 3.62 1.17 -3.99 3.58 5.75 -1.26 -4.47 116.55 120.94 3kfe n ASP 513 Ca -0.04 -0.18 -0.17 0.00 -0.01 0.00 0.00 54.79 54.38 3kfe n ASP 513 Cb 0.51 0.60 -0.15 0.00 -1.03 0.00 0.00 41.12 41.05 3kfe n ASP 513 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kfe s ASP 514 N -0.83 0.86 0.10 -1.12 -1.08 -1.26 -0.65 116.67 112.70 3kfe s ASP 514 Ca 0.00 -0.13 0.07 0.00 -0.52 0.00 0.00 52.55 51.97 3kfe s ASP 514 Cb 0.00 -0.10 -0.03 0.00 -1.46 0.00 0.00 42.92 41.33 3kfe s ASP 514 CO 0.00 0.09 -0.19 -0.69 0.52 0.00 0.00 175.17 174.90 3kfe s VAL 515 N -0.16 1.58 -0.46 1.11 1.01 -1.15 -5.00 120.40 117.32 3kfe s VAL 515 Ca 0.03 -1.54 0.03 0.00 0.00 0.00 0.00 61.98 60.50 3kfe s VAL 515 Cb -0.03 -1.48 0.16 0.00 0.00 0.00 0.00 36.38 35.03 3kfe s VAL 515 CO -0.00 -0.14 0.34 -0.63 0.00 0.00 0.00 175.10 174.67 3kfe s ILE 516 N -1.32 0.92 -0.07 2.22 1.01 -1.26 -2.99 121.20 119.71 3kfe s ILE 516 Ca 0.06 -2.82 -0.18 0.00 0.00 0.00 0.00 60.65 57.71 3kfe s ILE 516 Cb -0.09 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 3kfe s ILE 516 CO 0.04 -1.12 0.49 0.00 0.00 0.00 0.00 174.94 174.35 3kfe s ALA 517 N -0.06 3.52 0.51 9.38 0.00 -0.23 -4.98 121.76 129.90 3kfe s ALA 517 Ca 0.28 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3kfe s ALA 517 Cb -0.05 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.47 3kfe s ALA 517 CO -0.14 0.13 0.28 0.00 0.00 0.00 0.00 175.76 176.03 3kfe s ALA 518 N 0.11 4.21 0.00 0.00 0.00 -1.26 -2.07 121.76 122.75 3kfe s ALA 518 Ca 0.26 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3kfe s ALA 518 Cb -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3kfe s ALA 518 CO 0.12 -0.30 0.00 -1.91 0.00 0.00 0.00 175.76 173.67