#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fur s ARG 5 N 0.00 0.88 -0.30 7.34 3.52 0.78 -4.57 118.95 126.62 1fur s ARG 5 Ca 0.00 -1.23 -0.07 0.00 -0.13 0.00 0.00 55.73 54.31 1fur s ARG 5 Cb 0.00 -0.52 0.01 0.00 -1.56 0.00 0.00 34.95 32.88 1fur s ARG 5 CO 0.00 0.07 0.08 0.45 -0.81 0.00 0.00 175.30 175.09 1fur s SER 6 N -2.63 5.11 0.29 -2.12 0.15 -1.26 -0.15 113.70 113.08 1fur s SER 6 Ca 0.08 -0.73 0.10 0.00 0.70 0.00 0.00 55.95 56.10 1fur s SER 6 Cb -0.01 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 1fur s SER 6 CO -0.00 -0.19 -0.01 -1.61 1.20 0.00 0.00 173.24 172.62 1fur s GLU 7 N 1.49 2.19 0.23 5.44 2.02 -0.49 -4.51 118.70 125.06 1fur s GLU 7 Ca 0.02 -1.54 -0.09 0.00 0.02 0.00 0.00 54.97 53.39 1fur s GLU 7 Cb -0.17 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 31.97 1fur s GLU 7 CO 0.02 0.29 0.35 -1.59 0.02 0.00 0.00 175.26 174.35 1fur s LYS 8 N -3.68 1.41 0.00 1.61 -2.85 -1.26 -0.10 119.74 114.87 1fur s LYS 8 Ca 0.33 -1.37 0.00 0.00 -1.00 0.00 0.00 55.97 53.93 1fur s LYS 8 Cb -0.05 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1fur s LYS 8 CO 0.20 -0.55 0.00 -0.40 0.10 0.00 0.00 175.35 174.70 1fur n ASP 9 N -0.33 0.00 0.08 0.03 5.68 0.05 -4.69 116.55 117.36 1fur n ASP 9 Ca -0.01 -0.77 0.06 0.00 -0.50 0.00 0.00 54.79 53.57 1fur n ASP 9 Cb 0.63 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.91 1fur n ASP 9 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1fur n SER 10 N -1.50 0.28 -0.49 -1.12 3.41 -1.26 -0.69 113.62 112.25 1fur n SER 10 Ca 0.00 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1fur n SER 10 Cb 0.00 -0.67 0.07 0.00 -0.26 0.00 0.00 64.21 63.35 1fur n SER 10 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1fur n MET 11 N -1.88 1.24 0.00 4.33 2.81 -1.26 -5.07 117.12 117.28 1fur n MET 11 Ca -0.01 -0.99 0.00 0.00 -1.81 0.00 0.00 57.70 54.90 1fur n MET 11 Cb 0.03 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1fur n MET 11 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1fur n GLY 12 N 1.40 0.32 3.95 3.03 0.00 0.13 -5.06 105.19 108.96 1fur n GLY 12 Ca 0.10 -2.29 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 1fur n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fur s ALA 13 N -2.00 3.83 -0.16 4.61 0.00 -1.26 -0.77 121.76 126.01 1fur s ALA 13 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1fur s ALA 13 Cb 0.00 -1.93 0.05 0.00 0.00 0.00 0.00 23.12 21.24 1fur s ALA 13 CO 0.00 0.21 0.50 -1.50 0.00 0.00 0.00 175.76 174.97 1fur s ILE 14 N -2.06 0.01 0.09 0.00 2.07 0.86 -4.96 121.20 117.21 1fur s ILE 14 Ca 0.37 -0.06 -0.28 0.00 -1.41 0.00 0.00 60.65 59.27 1fur s ILE 14 Cb -0.10 -0.73 -0.06 0.00 0.13 0.00 0.00 42.46 41.71 1fur s ILE 14 CO 0.31 -0.03 0.89 -1.81 -1.91 0.00 0.00 174.94 172.39 1fur s ASP 15 N -0.06 7.40 0.04 4.50 1.01 -1.26 -1.39 116.67 126.91 1fur s ASP 15 Ca -0.03 1.67 0.07 0.00 0.71 0.00 0.00 52.55 54.98 1fur s ASP 15 Cb -0.03 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1fur s ASP 15 CO 0.02 -0.03 -0.21 0.68 0.21 0.00 0.00 175.17 175.84 1fur s VAL 16 N -0.04 1.70 0.07 -1.27 -7.23 0.79 -4.92 120.40 109.50 1fur s VAL 16 Ca 0.44 -1.20 -0.34 0.00 -1.81 0.00 0.00 61.98 59.07 1fur s VAL 16 Cb -0.22 -1.48 -0.13 0.00 0.56 0.00 0.00 36.38 35.11 1fur s VAL 16 CO 0.27 0.23 1.72 -0.81 -0.31 0.00 0.00 175.10 176.20 1fur n PRO 17 N 1.87 2.26 -0.29 4.82 -0.04 -1.26 -0.15 135.00 142.20 1fur n PRO 17 Ca -0.17 0.82 0.18 0.00 -0.04 0.00 0.00 63.50 64.29 1fur n PRO 17 Cb 0.53 -2.64 0.45 0.00 -0.04 0.00 0.00 33.50 31.81 1fur n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fur h ALA 18 N 7.42 2.06 -0.02 0.55 0.00 -1.89 -0.27 119.26 127.10 1fur h ALA 18 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1fur h ALA 18 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fur h ALA 18 CO 0.92 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.39 1fur n ASP 19 N -4.59 0.64 -4.41 0.00 5.75 -1.26 -4.82 116.55 107.86 1fur n ASP 19 Ca 0.21 -2.02 -0.29 0.00 -0.01 0.00 0.00 54.79 52.69 1fur n ASP 19 Cb 0.68 -0.26 -0.13 0.00 -1.03 0.00 0.00 41.12 40.38 1fur n ASP 19 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fur s LYS 20 N -1.51 1.51 0.00 0.11 -0.14 -0.11 -5.05 119.74 114.55 1fur s LYS 20 Ca 0.02 -1.30 0.25 0.00 -1.36 0.00 0.00 55.97 53.58 1fur s LYS 20 Cb 0.01 -1.95 0.49 0.00 -1.68 0.00 0.00 37.83 34.70 1fur s LYS 20 CO 0.01 0.46 1.40 1.28 -0.76 0.00 0.00 175.35 177.74 1fur n LEU 21 N 0.91 1.17 -4.88 3.17 4.77 -1.26 -4.92 117.00 115.96 1fur n LEU 21 Ca -0.17 -0.35 -0.29 0.00 -0.03 0.00 0.00 56.01 55.17 1fur n LEU 21 Cb 0.53 -0.11 0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1fur n LEU 21 CO 0.24 0.23 0.78 -1.66 -1.33 0.00 0.00 177.39 175.65 1fur s TRP 22 N -2.60 2.73 0.00 -1.77 -2.14 -1.26 -3.58 118.94 110.32 1fur s TRP 22 Ca 0.20 0.73 0.00 0.00 2.66 0.00 0.00 56.10 59.70 1fur s TRP 22 Cb 0.19 -3.53 0.00 0.00 -3.10 0.00 0.00 33.47 27.03 1fur s TRP 22 CO 0.58 -1.99 0.00 0.41 -2.66 0.00 0.00 176.95 173.29 1fur n GLY 23 N -3.11 5.97 0.13 3.67 0.00 -1.26 -4.91 105.19 105.68 1fur n GLY 23 Ca 0.08 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1fur n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fur h ALA 24 N 0.49 0.32 -0.53 4.61 0.00 -1.86 -2.20 119.26 120.09 1fur h ALA 24 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1fur h ALA 24 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1fur h ALA 24 CO 0.00 -0.23 0.06 1.96 0.00 0.00 0.00 179.25 181.04 1fur h GLN 25 N 0.32 0.85 -0.47 0.00 4.20 -1.96 -0.49 115.11 117.57 1fur h GLN 25 Ca 0.10 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1fur h GLN 25 Cb -0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1fur h GLN 25 CO -0.04 0.81 -0.20 1.15 -0.67 0.00 0.00 178.83 179.88 1fur h THR 26 N 0.80 1.27 -0.59 -0.54 2.02 -1.88 -2.08 112.91 111.91 1fur h THR 26 Ca 0.16 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 65.89 1fur h THR 26 Cb 0.39 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1fur h THR 26 CO 0.01 0.46 -0.04 -0.61 0.37 0.00 0.00 175.52 175.71 1fur h GLN 27 N 0.82 1.06 -0.42 6.66 5.75 -1.09 -1.18 115.11 126.72 1fur h GLN 27 Ca 0.11 -0.36 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1fur h GLN 27 Cb 0.76 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1fur h GLN 27 CO 0.06 1.06 0.18 -0.09 -2.65 0.00 0.00 178.83 177.39 1fur h ARG 28 N 0.96 0.61 -0.34 1.69 2.43 -0.95 -2.73 114.38 116.05 1fur h ARG 28 Ca 0.16 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1fur h ARG 28 Cb 0.61 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1fur h ARG 28 CO 0.04 0.55 -0.19 0.77 -1.51 0.00 0.00 179.97 179.63 1fur h SER 29 N 0.53 0.62 -0.31 -3.80 0.02 -1.24 -2.07 113.55 107.30 1fur h SER 29 Ca 0.14 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1fur h SER 29 Cb 0.16 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1fur h SER 29 CO -0.01 0.82 0.21 0.25 -1.14 0.00 0.00 176.83 176.95 1fur h LEU 30 N 0.56 0.27 0.00 5.07 5.85 -0.95 0.15 115.31 126.26 1fur h LEU 30 Ca 0.09 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1fur h LEU 30 Cb 0.64 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1fur h LEU 30 CO 0.05 0.19 -1.13 -0.62 -0.34 0.00 0.00 178.44 176.59 1fur n GLU 31 N -4.49 0.61 0.01 1.25 1.02 -0.97 -4.30 120.64 113.76 1fur n GLU 31 Ca 0.02 0.13 0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1fur n GLU 31 Cb 0.14 -1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 29.64 1fur n GLU 31 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1fur n HIS 32 N -2.70 0.45 -3.14 -0.32 8.25 -0.78 -4.59 115.22 112.40 1fur n HIS 32 Ca -0.02 0.14 -0.26 0.00 -0.26 0.00 0.00 57.72 57.32 1fur n HIS 32 Cb 0.61 -0.82 -0.06 0.00 1.12 0.00 0.00 29.99 30.84 1fur n HIS 32 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1fur n PHE 33 N -2.57 3.51 -2.39 4.41 3.72 0.47 -4.95 117.46 119.65 1fur n PHE 33 Ca -0.09 -4.03 -0.42 0.00 -0.05 0.00 0.00 57.45 52.86 1fur n PHE 33 Cb 0.72 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1fur n PHE 33 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1fur n ARG 34 N 0.25 4.00 -3.94 -1.08 1.74 -1.26 -4.59 116.66 111.78 1fur n ARG 34 Ca 0.30 -3.72 -0.35 0.00 -0.77 0.00 0.00 57.85 53.32 1fur n ARG 34 Cb 0.42 -2.79 -0.14 0.00 -1.02 0.00 0.00 32.46 28.93 1fur n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fur s ILE 35 N -0.57 3.02 0.00 0.55 1.01 -1.26 -5.05 121.20 118.91 1fur s ILE 35 Ca 0.41 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1fur s ILE 35 Cb 0.11 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1fur s ILE 35 CO -0.00 0.25 0.00 -0.24 0.00 0.00 0.00 174.94 174.95 1fur n SER 36 N 4.71 -0.61 0.00 3.58 2.88 -1.26 -4.49 113.62 118.42 1fur n SER 36 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1fur n SER 36 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1fur n SER 36 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1fur n THR 37 N 0.00 0.00 -2.39 2.46 -2.24 -1.26 -5.05 114.28 105.80 1fur n THR 37 Ca 0.00 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1fur n THR 37 Cb 0.00 1.06 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 1fur n THR 37 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fur s GLU 38 N -0.37 4.37 0.49 -0.78 8.01 -1.26 -5.02 118.70 124.14 1fur s GLU 38 Ca 0.00 1.78 0.02 0.00 0.01 0.00 0.00 54.97 56.78 1fur s GLU 38 Cb 0.00 -3.47 -0.02 0.00 -4.31 0.00 0.00 34.13 26.33 1fur s GLU 38 CO 0.00 -0.40 0.01 0.15 0.01 0.00 0.00 175.26 175.03 1fur s LYS 39 N 1.77 2.16 0.20 1.61 -0.14 -1.26 -1.31 119.74 122.77 1fur s LYS 39 Ca 0.59 -2.34 -0.31 0.00 -1.36 0.00 0.00 55.97 52.55 1fur s LYS 39 Cb -0.28 -1.56 -0.10 0.00 -1.68 0.00 0.00 37.83 34.21 1fur s LYS 39 CO 0.26 -0.31 1.47 -1.64 -0.76 0.00 0.00 175.35 174.37 1fur s MET 40 N -3.86 4.26 0.62 1.68 -1.94 -1.22 -4.67 119.30 114.17 1fur s MET 40 Ca 0.11 2.28 -0.15 0.00 -1.71 0.00 0.00 55.69 56.22 1fur s MET 40 Cb 0.03 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 1fur s MET 40 CO 0.06 -0.47 1.07 -1.25 -0.01 0.00 0.00 175.02 174.41 1fur s PRO 41 N 0.34 3.18 0.28 2.03 0.04 -1.26 -4.85 135.00 134.76 1fur s PRO 41 Ca 0.63 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1fur s PRO 41 Cb -0.41 -2.01 0.61 0.00 0.04 0.00 0.00 34.50 32.72 1fur s PRO 41 CO 0.37 -0.92 1.74 1.15 0.04 0.00 0.00 177.00 179.38 1fur h THR 42 N 0.22 0.65 -0.91 1.26 2.02 -1.99 -1.25 112.91 112.91 1fur h THR 42 Ca -0.46 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 66.58 1fur h THR 42 Cb 1.22 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 1fur h THR 42 CO 0.57 0.10 0.59 0.77 0.37 0.00 0.00 175.52 177.92 1fur h SER 43 N 0.56 0.93 -0.17 4.18 4.64 -1.99 0.35 113.55 122.05 1fur h SER 43 Ca 0.50 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.62 1fur h SER 43 Cb 0.80 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1fur h SER 43 CO -0.42 0.61 -0.68 0.25 -0.87 0.00 0.00 176.83 175.72 1fur h LEU 44 N 1.06 0.90 -0.64 5.97 5.85 -1.63 -1.36 115.31 125.47 1fur h LEU 44 Ca 0.38 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1fur h LEU 44 Cb 0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1fur h LEU 44 CO -0.14 1.36 0.43 0.40 -0.34 0.00 0.00 178.44 180.15 1fur h ILE 45 N 0.50 1.16 -0.62 4.05 1.08 -0.67 -0.26 117.51 122.75 1fur h ILE 45 Ca -0.04 -0.30 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 1fur h ILE 45 Cb 1.31 0.22 -0.03 0.00 -3.07 0.00 0.00 36.82 35.25 1fur h ILE 45 CO 0.14 0.16 0.14 0.45 -0.69 0.00 0.00 178.15 178.35 1fur h HIS 46 N 0.87 1.06 -0.52 1.37 3.86 -0.90 -0.65 115.15 120.24 1fur h HIS 46 Ca 0.24 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1fur h HIS 46 Cb -0.09 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.06 1fur h HIS 46 CO -0.03 0.89 0.07 0.00 0.86 0.00 0.00 177.93 179.73 1fur h ALA 47 N 1.04 1.14 -0.36 2.45 0.00 -0.80 0.32 119.26 123.06 1fur h ALA 47 Ca 0.19 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1fur h ALA 47 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fur h ALA 47 CO 0.00 0.56 -0.20 1.25 0.00 0.00 0.00 179.25 180.87 1fur h LEU 48 N 0.79 0.81 -0.50 0.00 5.85 -0.68 -1.05 115.31 120.54 1fur h LEU 48 Ca 0.16 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1fur h LEU 48 Cb 0.37 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1fur h LEU 48 CO 0.01 1.05 0.27 0.00 -0.34 0.00 0.00 178.44 179.43 1fur h ALA 49 N 0.79 0.63 -1.00 1.25 0.00 -0.71 -1.32 119.26 118.90 1fur h ALA 49 Ca 0.08 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fur h ALA 49 Cb 0.76 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1fur h ALA 49 CO 0.06 0.15 0.66 -0.07 0.00 0.00 0.00 179.25 180.05 1fur h LEU 50 N 0.66 1.14 -0.68 0.00 3.38 -0.79 0.41 115.31 119.44 1fur h LEU 50 Ca 0.17 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1fur h LEU 50 Cb 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1fur h LEU 50 CO -0.03 0.82 0.21 0.74 0.09 0.00 0.00 178.44 180.28 1fur h THR 51 N 1.35 1.25 -0.32 0.22 2.02 -0.56 -1.08 112.91 115.79 1fur h THR 51 Ca 0.37 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.54 1fur h THR 51 Cb -0.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1fur h THR 51 CO -0.08 0.34 -0.34 0.11 0.37 0.00 0.00 175.52 175.92 1fur h LYS 52 N 0.99 0.72 -0.30 6.66 1.79 -0.66 -1.24 116.57 124.53 1fur h LYS 52 Ca 0.22 -0.34 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1fur h LYS 52 Cb 0.30 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1fur h LYS 52 CO -0.01 0.95 0.15 -0.09 -1.08 0.00 0.00 179.45 179.38 1fur h ARG 53 N 0.60 0.43 -0.51 3.15 2.43 -0.64 -1.10 114.38 118.75 1fur h ARG 53 Ca 0.06 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 1fur h ARG 53 Cb 0.86 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1fur h ARG 53 CO 0.08 0.40 0.09 0.00 -1.51 0.00 0.00 179.97 179.03 1fur h ALA 54 N 1.01 0.67 -0.87 2.80 0.00 -1.09 -2.59 119.26 119.20 1fur h ALA 54 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1fur h ALA 54 Cb 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1fur h ALA 54 CO -0.01 0.39 0.58 0.00 0.00 0.00 0.00 179.25 180.21 1fur h ALA 55 N 0.98 1.11 -0.48 0.00 0.00 -1.00 -2.02 119.26 117.86 1fur h ALA 55 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1fur h ALA 55 Cb 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1fur h ALA 55 CO 0.01 0.50 0.26 0.00 0.00 0.00 0.00 179.25 180.02 1fur h ALA 56 N 1.33 0.62 0.25 0.00 0.00 -1.02 -0.54 119.26 119.89 1fur h ALA 56 Ca 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1fur h ALA 56 Cb -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1fur h ALA 56 CO -0.08 0.14 -0.12 -0.22 0.00 0.00 0.00 179.25 178.97 1fur h LYS 57 N 0.64 -0.32 -0.72 0.00 1.63 -1.12 -1.42 116.57 115.26 1fur h LYS 57 Ca 0.17 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1fur h LYS 57 Cb 0.05 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 1fur h LYS 57 CO -0.03 -0.15 0.45 0.28 -3.45 0.00 0.00 179.45 176.56 1fur h VAL 58 N -0.42 1.20 -0.80 2.00 2.07 -1.33 -0.04 116.25 118.93 1fur h VAL 58 Ca -0.03 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1fur h VAL 58 Cb 0.32 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1fur h VAL 58 CO 0.06 0.20 0.53 0.78 0.02 0.00 0.00 177.57 179.15 1fur h ASN 59 N 0.97 0.90 -0.18 0.57 2.35 -0.96 -0.62 115.58 118.62 1fur h ASN 59 Ca 0.26 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 1fur h ASN 59 Cb -0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1fur h ASN 59 CO -0.05 0.65 0.00 -0.08 -1.65 0.00 0.00 177.43 176.30 1fur h GLU 60 N 1.06 0.32 -0.93 0.81 4.81 -0.47 0.33 114.58 120.51 1fur h GLU 60 Ca 0.30 -0.10 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 1fur h GLU 60 Cb -0.09 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.19 1fur h GLU 60 CO -0.07 0.53 0.60 -0.44 -0.73 0.00 0.00 179.01 178.89 1fur h ASP 61 N 0.07 0.86 -0.16 1.04 3.32 -0.24 0.88 116.42 122.19 1fur h ASP 61 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1fur h ASP 61 Cb 0.38 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1fur h ASP 61 CO 0.01 0.50 0.00 0.18 -1.72 0.00 0.00 179.24 178.21 1fur n LEU 62 N -4.54 1.21 -0.23 1.55 4.77 -0.31 -4.90 117.00 114.54 1fur n LEU 62 Ca 0.16 -0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 55.57 1fur n LEU 62 Cb 0.30 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 1fur n LEU 62 CO 0.31 0.27 -0.03 0.61 -1.33 0.00 0.00 177.39 177.22 1fur n GLY 63 N 0.98 0.53 0.11 -0.72 0.00 0.30 -4.87 105.19 101.52 1fur n GLY 63 Ca 0.13 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1fur n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fur h LEU 64 N 0.00 0.00 -7.82 0.99 3.38 -0.55 -3.45 115.31 107.85 1fur h LEU 64 Ca -0.06 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 1fur h LEU 64 Cb 0.53 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.01 1fur h LEU 64 CO 0.09 0.02 -0.72 -0.22 0.09 0.00 0.00 178.44 177.69 1fur s LEU 65 N -4.68 2.05 0.43 1.67 2.96 -1.06 -4.94 118.68 115.11 1fur s LEU 65 Ca 0.09 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 53.65 1fur s LEU 65 Cb 0.12 -0.05 -0.08 0.00 0.50 0.00 0.00 46.19 46.68 1fur s LEU 65 CO 0.63 -0.04 1.12 -0.94 -1.32 0.00 0.00 176.35 175.80 1fur s SER 66 N -0.31 6.43 0.24 3.68 1.04 -1.26 -4.30 113.70 119.21 1fur s SER 66 Ca -0.02 2.21 -0.04 0.00 0.48 0.00 0.00 55.95 58.58 1fur s SER 66 Cb -0.02 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 63.94 1fur s SER 66 CO -0.00 -0.73 1.74 -0.08 0.98 0.00 0.00 173.24 175.14 1fur h GLU 67 N 2.28 0.45 -0.61 4.02 4.81 -1.98 0.12 114.58 123.68 1fur h GLU 67 Ca -0.49 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1fur h GLU 67 Cb 1.23 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1fur h GLU 67 CO 0.61 0.30 0.35 1.05 -0.73 0.00 0.00 179.01 180.59 1fur h GLU 68 N 0.46 0.65 -0.05 1.92 4.11 -1.99 0.52 114.58 120.21 1fur h GLU 68 Ca 0.41 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.61 1fur h GLU 68 Cb 0.59 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1fur h GLU 68 CO -0.38 0.43 -0.70 0.87 0.07 0.00 0.00 179.01 179.30 1fur h LYS 69 N 0.67 0.56 -0.57 1.06 1.57 -1.79 -2.56 116.57 115.52 1fur h LYS 69 Ca 0.26 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1fur h LYS 69 Cb 0.10 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1fur h LYS 69 CO -0.14 1.16 0.37 0.00 -0.57 0.00 0.00 179.45 180.27 1fur h ALA 70 N 0.41 0.73 -0.32 3.86 0.00 -0.77 -0.50 119.26 122.67 1fur h ALA 70 Ca -0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1fur h ALA 70 Cb 1.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1fur h ALA 70 CO 0.14 0.19 -0.35 0.66 0.00 0.00 0.00 179.25 179.88 1fur h SER 71 N 0.78 0.76 -0.54 0.00 4.64 -0.97 -2.24 113.55 115.98 1fur h SER 71 Ca 0.21 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 1fur h SER 71 Cb -0.06 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.80 1fur h SER 71 CO -0.04 1.04 0.18 0.00 -0.87 0.00 0.00 176.83 177.13 1fur h ALA 72 N 1.00 0.70 -0.27 5.18 0.00 -1.02 -1.43 119.26 123.42 1fur h ALA 72 Ca 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1fur h ALA 72 Cb 0.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1fur h ALA 72 CO 0.08 0.36 0.11 0.82 0.00 0.00 0.00 179.25 180.62 1fur h ILE 73 N 0.74 1.16 -0.70 0.00 2.04 -0.98 -1.18 117.51 118.59 1fur h ILE 73 Ca 0.17 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1fur h ILE 73 Cb 0.27 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1fur h ILE 73 CO -0.01 0.17 0.46 0.03 0.00 0.00 0.00 178.15 178.80 1fur h ARG 74 N 0.29 0.93 -0.44 2.37 3.08 -1.25 0.55 114.38 119.92 1fur h ARG 74 Ca 0.09 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1fur h ARG 74 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1fur h ARG 74 CO -0.01 0.63 -0.27 0.37 -1.07 0.00 0.00 179.97 179.62 1fur h GLN 75 N 0.96 0.93 -0.54 0.04 4.15 -0.95 -0.09 115.11 119.60 1fur h GLN 75 Ca 0.26 -0.42 -0.09 0.00 0.77 0.00 0.00 58.65 59.17 1fur h GLN 75 Cb -0.09 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1fur h GLN 75 CO -0.05 1.08 -0.02 0.00 -1.93 0.00 0.00 178.83 177.90 1fur h ALA 76 N 0.89 0.94 -0.49 3.38 0.00 -0.53 -2.30 119.26 121.15 1fur h ALA 76 Ca 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1fur h ALA 76 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1fur h ALA 76 CO 0.07 0.63 0.20 0.00 0.00 0.00 0.00 179.25 180.16 1fur h ALA 77 N 1.10 0.63 -0.24 0.00 0.00 -0.54 -2.44 119.26 117.77 1fur h ALA 77 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fur h ALA 77 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1fur h ALA 77 CO 0.03 0.23 0.10 -0.44 0.00 0.00 0.00 179.25 179.17 1fur h ASP 78 N 0.64 0.29 -0.26 0.00 3.32 -0.74 -1.35 116.42 118.32 1fur h ASP 78 Ca 0.16 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1fur h ASP 78 Cb 0.18 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1fur h ASP 78 CO -0.01 0.27 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.31 1fur h GLU 79 N 0.33 0.69 -0.16 3.56 5.08 -0.94 -0.14 114.58 123.00 1fur h GLU 79 Ca 0.09 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1fur h GLU 79 Cb 0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1fur h GLU 79 CO -0.01 0.80 0.01 0.28 -1.00 0.00 0.00 179.01 179.09 1fur h VAL 80 N 0.62 1.24 -0.19 3.13 2.07 -1.00 -1.09 116.25 121.04 1fur h VAL 80 Ca 0.10 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1fur h VAL 80 Cb 0.59 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1fur h VAL 80 CO 0.04 0.23 0.13 -0.07 0.02 0.00 0.00 177.57 177.92 1fur h LEU 81 N 0.03 0.15 -0.05 2.57 3.38 -1.05 -0.60 115.31 119.74 1fur h LEU 81 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1fur h LEU 81 Cb 0.34 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1fur h LEU 81 CO 0.01 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1fur n ALA 82 N -2.53 2.66 -0.93 1.53 0.00 -0.09 -4.90 120.51 116.26 1fur n ALA 82 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1fur n ALA 82 Cb 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1fur n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fur n GLY 83 N 0.96 0.48 0.10 0.00 0.00 -0.23 -4.95 105.19 101.54 1fur n GLY 83 Ca 0.21 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fur n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1fur n GLN 84 N -2.93 0.23 -1.72 1.61 6.02 -0.44 -4.15 117.38 115.99 1fur n GLN 84 Ca 0.00 0.21 -0.01 0.00 -0.01 0.00 0.00 57.00 57.19 1fur n GLN 84 Cb 0.00 -1.78 0.07 0.00 1.02 0.00 0.00 30.24 29.55 1fur n GLN 84 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1fur n HIS 85 N -2.17 0.74 0.04 1.08 8.25 -1.26 -4.87 115.22 117.03 1fur n HIS 85 Ca 0.05 -1.41 0.10 0.00 -0.26 0.00 0.00 57.72 56.21 1fur n HIS 85 Cb 0.40 -0.22 0.54 0.00 1.12 0.00 0.00 29.99 31.83 1fur n HIS 85 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1fur h ASP 86 N 1.59 0.26 0.00 0.41 3.32 -1.90 -1.04 116.42 119.06 1fur h ASP 86 Ca -0.06 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1fur h ASP 86 Cb 1.48 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1fur h ASP 86 CO 0.20 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 176.99 1fur n ASP 87 N -4.48 0.00 -0.74 6.45 5.75 -1.26 -3.57 116.55 118.70 1fur n ASP 87 Ca 0.05 -1.05 0.11 0.00 -0.01 0.00 0.00 54.79 53.89 1fur n ASP 87 Cb 0.25 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.65 1fur n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fur n GLU 88 N -0.95 1.98 -3.72 0.11 -0.58 -0.39 -4.60 120.64 112.48 1fur n GLU 88 Ca 0.21 -1.47 -0.28 0.00 -0.42 0.00 0.00 57.16 55.20 1fur n GLU 88 Cb 0.09 -1.43 -0.11 0.00 -0.57 0.00 0.00 31.44 29.42 1fur n GLU 88 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1fur n PHE 89 N 0.70 2.02 1.57 -0.32 3.72 -1.23 -4.75 117.46 119.18 1fur n PHE 89 Ca 0.17 -4.01 0.14 0.00 -0.05 0.00 0.00 57.45 53.70 1fur n PHE 89 Cb 0.42 -0.37 0.62 0.00 -0.94 0.00 0.00 39.48 39.22 1fur n PHE 89 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1fur n PRO 90 N 2.14 1.26 -2.34 -1.08 -0.04 -1.26 -4.76 135.00 128.92 1fur n PRO 90 Ca 0.23 -0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 62.72 1fur n PRO 90 Cb 0.39 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1fur n PRO 90 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fur s LEU 91 N -2.13 4.50 0.67 1.53 1.43 -1.26 -4.99 118.68 118.43 1fur s LEU 91 Ca 0.37 2.40 -0.13 0.00 -1.03 0.00 0.00 54.13 55.75 1fur s LEU 91 Cb 0.21 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.80 1fur s LEU 91 CO 0.39 -0.30 1.07 0.00 0.23 0.00 0.00 176.35 177.73 1fur s ALA 92 N -1.01 2.63 0.25 4.21 0.00 -1.26 -3.46 121.76 123.13 1fur s ALA 92 Ca 0.47 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 1fur s ALA 92 Cb -0.35 -3.21 0.30 0.00 0.00 0.00 0.00 23.12 19.86 1fur s ALA 92 CO 0.44 -1.16 1.78 0.82 0.00 0.00 0.00 175.76 177.64 1fur h ILE 93 N -0.35 1.24 -0.45 0.00 1.08 -1.47 -3.35 117.51 114.22 1fur h ILE 93 Ca -0.45 -0.90 -0.69 0.00 -0.39 0.00 0.00 64.86 62.43 1fur h ILE 93 Cb 1.22 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 35.57 1fur h ILE 93 CO 0.56 0.34 2.61 0.79 -0.69 0.00 0.00 178.15 181.76 1fur n TRP 94 N -4.25 4.08 -2.09 1.37 7.02 -1.26 -4.61 117.44 117.70 1fur n TRP 94 Ca 0.04 -2.86 0.00 0.00 -1.02 0.00 0.00 57.50 53.66 1fur n TRP 94 Cb 0.25 -2.59 0.00 0.00 -2.42 0.00 0.00 31.31 26.55 1fur n TRP 94 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1fur n GLN 95 N 7.33 1.52 -1.69 -0.99 10.64 -1.26 -4.79 117.38 128.14 1fur n GLN 95 Ca 0.50 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 55.23 1fur n GLN 95 Cb 0.43 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.77 1fur n GLN 95 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1fur n THR 96 N 0.00 0.03 0.32 -0.39 -2.24 -1.26 -4.87 114.28 105.87 1fur n THR 96 Ca 0.00 -0.01 0.20 0.00 -2.27 0.00 0.00 64.05 61.98 1fur n THR 96 Cb 0.00 -1.78 1.11 0.00 -2.10 0.00 0.00 70.33 67.55 1fur n THR 96 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1fur h GLY 97 N 6.51 0.00 1.35 3.38 0.00 -1.95 -0.31 103.07 112.06 1fur h GLY 97 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1fur h GLY 97 CO 0.93 0.00 -0.41 -1.14 0.00 0.00 0.00 176.54 175.91 1fur n SER 98 N -3.30 0.55 0.00 0.19 3.41 -1.26 -2.59 113.62 110.61 1fur n SER 98 Ca -0.03 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1fur n SER 98 Cb 0.10 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1fur n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fur n GLY 99 N 1.41 0.49 0.23 5.00 0.00 -0.13 -4.68 105.19 107.50 1fur n GLY 99 Ca 0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1fur n GLY 99 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1fur h THR 100 N 0.00 0.80 -0.53 2.61 2.02 -1.88 -1.48 112.91 114.46 1fur h THR 100 Ca 0.00 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1fur h THR 100 Cb 0.00 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1fur h THR 100 CO 0.00 0.07 0.07 1.56 0.37 0.00 0.00 175.52 177.60 1fur h GLN 101 N 0.41 0.84 -0.02 6.66 4.20 -1.93 0.20 115.11 125.47 1fur h GLN 101 Ca 0.28 -0.20 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1fur h GLN 101 Cb 0.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1fur h GLN 101 CO -0.28 0.79 -0.49 0.77 -0.67 0.00 0.00 178.83 178.95 1fur h SER 102 N 0.79 0.05 -0.42 1.46 0.02 -1.83 0.82 113.55 114.44 1fur h SER 102 Ca 0.17 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 1fur h SER 102 Cb 0.37 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1fur h SER 102 CO 0.01 0.54 0.01 -1.13 -1.14 0.00 0.00 176.83 175.12 1fur h ASN 103 N 0.04 0.72 0.08 3.07 -1.24 -0.17 -2.41 115.58 115.67 1fur h ASN 103 Ca -0.00 -0.30 -0.12 0.00 0.71 0.00 0.00 56.30 56.58 1fur h ASN 103 Cb 0.89 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 1fur h ASN 103 CO 0.07 0.84 -0.42 0.24 -1.29 0.00 0.00 177.43 176.87 1fur h MET 104 N 0.57 0.43 -0.37 6.67 2.86 -0.34 -1.75 114.93 123.00 1fur h MET 104 Ca 0.12 -0.22 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1fur h MET 104 Cb 0.46 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1fur h MET 104 CO 0.02 0.78 0.14 -0.97 1.06 0.00 0.00 176.91 177.93 1fur h ASN 105 N 0.36 0.16 -0.52 1.22 -0.73 -0.68 0.18 115.58 115.56 1fur h ASN 105 Ca 0.03 0.04 -0.08 0.00 1.87 0.00 0.00 56.30 58.15 1fur h ASN 105 Cb 0.89 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.48 1fur h ASN 105 CO 0.07 0.13 -0.00 -0.03 -0.37 0.00 0.00 177.43 177.23 1fur h MET 106 N 0.30 0.92 -0.93 6.67 4.05 -1.24 -1.49 114.93 123.20 1fur h MET 106 Ca 0.17 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1fur h MET 106 Cb 0.14 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1fur h MET 106 CO -0.16 0.94 0.58 -0.91 0.23 0.00 0.00 176.91 177.58 1fur h ASN 107 N 0.78 1.11 -0.10 1.39 2.35 -0.74 -0.49 115.58 119.89 1fur h ASN 107 Ca 0.15 -0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 1fur h ASN 107 Cb 0.53 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.63 1fur h ASN 107 CO 0.03 0.84 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.78 1fur h GLU 108 N 1.28 0.53 -0.25 0.81 5.08 -0.81 -1.44 114.58 119.78 1fur h GLU 108 Ca 0.34 -0.44 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1fur h GLU 108 Cb -0.08 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1fur h GLU 108 CO -0.07 1.07 0.09 0.28 -1.00 0.00 0.00 179.01 179.38 1fur h VAL 109 N 0.13 1.19 -0.67 3.13 2.07 -1.19 -1.22 116.25 119.68 1fur h VAL 109 Ca -0.04 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1fur h VAL 109 Cb 1.18 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1fur h VAL 109 CO 0.11 0.19 0.11 -0.07 0.02 0.00 0.00 177.57 177.93 1fur h LEU 110 N 0.24 1.06 -0.13 2.57 4.07 -1.15 -1.87 115.31 120.10 1fur h LEU 110 Ca 0.08 -0.26 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1fur h LEU 110 Cb 0.21 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1fur h LEU 110 CO -0.00 1.05 -0.05 0.00 -1.08 0.00 0.00 178.44 178.36 1fur h ALA 111 N 1.05 0.18 -0.87 1.53 0.00 -1.18 0.51 119.26 120.49 1fur h ALA 111 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1fur h ALA 111 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1fur h ALA 111 CO 0.01 -0.05 0.48 -0.91 0.00 0.00 0.00 179.25 178.78 1fur h ASN 112 N -0.06 1.07 -0.12 0.00 2.35 -1.20 -0.89 115.58 116.73 1fur h ASN 112 Ca 0.03 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 1fur h ASN 112 Cb 0.49 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.59 1fur h ASN 112 CO 0.02 0.86 -0.62 -0.09 -1.65 0.00 0.00 177.43 175.94 1fur h ARG 113 N 1.21 0.63 -0.38 0.81 9.65 -1.33 -2.99 114.38 121.98 1fur h ARG 113 Ca 0.31 -0.52 0.01 0.00 -1.10 0.00 0.00 59.98 58.67 1fur h ARG 113 Cb 0.02 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1fur h ARG 113 CO -0.05 1.14 0.25 0.00 2.80 0.00 0.00 179.97 184.11 1fur h ALA 114 N 0.50 1.74 0.21 2.80 0.00 -0.66 -1.16 119.26 122.69 1fur h ALA 114 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 114 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1fur h ALA 114 CO 0.13 0.24 -0.10 1.03 0.00 0.00 0.00 179.25 180.55 1fur h SER 115 N 0.51 -0.24 -0.70 0.00 0.87 -1.12 -2.21 113.55 110.65 1fur h SER 115 Ca 0.14 -0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1fur h SER 115 Cb -0.05 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1fur h SER 115 CO -0.03 -0.08 0.36 -0.33 -0.53 0.00 0.00 176.83 176.22 1fur h GLU 116 N -0.39 0.61 -0.04 2.24 5.08 -1.22 0.25 114.58 121.13 1fur h GLU 116 Ca -0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1fur h GLU 116 Cb 0.30 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1fur h GLU 116 CO 0.05 0.40 0.03 -0.07 -1.00 0.00 0.00 179.01 178.42 1fur h LEU 117 N 0.63 0.00 -3.78 1.33 4.07 -0.99 -1.15 115.31 115.43 1fur h LEU 117 Ca 0.34 0.00 -0.47 0.00 0.08 0.00 0.00 57.88 57.83 1fur h LEU 117 Cb 0.32 0.00 -0.27 0.00 1.08 0.00 0.00 40.66 41.79 1fur h LEU 117 CO -0.25 0.00 0.60 0.18 -1.08 0.00 0.00 178.44 177.89 1fur n LEU 118 N -4.17 6.40 -0.11 1.67 4.77 0.11 -4.85 117.00 120.82 1fur n LEU 118 Ca -0.02 -3.42 -0.01 0.00 -0.03 0.00 0.00 56.01 52.52 1fur n LEU 118 Cb 0.13 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 1fur n LEU 118 CO 0.31 1.02 -0.01 0.61 -1.33 0.00 0.00 177.39 177.98 1fur n GLY 119 N -0.94 0.33 0.00 -0.72 0.00 -0.43 -4.97 105.19 98.47 1fur n GLY 119 Ca 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1fur n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fur n GLY 120 N -0.68 1.14 3.14 -0.02 0.00 0.66 -4.96 105.19 104.47 1fur n GLY 120 Ca -0.01 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 1fur n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fur s VAL 121 N 1.47 0.34 0.54 1.61 0.11 -1.26 -3.96 120.40 119.26 1fur s VAL 121 Ca 0.00 -1.88 -0.12 0.00 -2.93 0.00 0.00 61.98 57.06 1fur s VAL 121 Cb 0.00 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 33.06 1fur s VAL 121 CO 0.00 -0.79 0.95 0.00 -3.33 0.00 0.00 175.10 171.92 1fur s ARG 122 N -3.93 3.71 0.00 1.54 1.70 -1.26 -3.44 118.95 117.27 1fur s ARG 122 Ca 0.14 0.69 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 1fur s ARG 122 Cb 0.07 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 1fur s ARG 122 CO -0.05 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.23 1fur n GLY 123 N -2.15 -1.70 0.06 3.88 0.00 -1.26 -4.55 105.19 99.47 1fur n GLY 123 Ca 0.05 -2.11 0.05 0.00 0.00 0.00 0.00 46.02 44.01 1fur n GLY 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fur n MET 124 N -0.02 0.06 0.00 1.61 2.81 -1.26 -1.52 117.12 118.79 1fur n MET 124 Ca 0.00 0.53 0.14 0.00 -1.81 0.00 0.00 57.70 56.56 1fur n MET 124 Cb 0.00 -1.68 0.50 0.00 -0.71 0.00 0.00 33.22 31.33 1fur n MET 124 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1fur n GLU 125 N -1.80 1.41 -1.62 0.03 2.13 -1.26 -4.98 120.64 114.55 1fur n GLU 125 Ca -0.00 -0.80 -0.40 0.00 0.66 0.00 0.00 57.16 56.62 1fur n GLU 125 Cb 0.03 -1.48 0.03 0.00 0.27 0.00 0.00 31.44 30.29 1fur n GLU 125 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1fur n ARG 126 N -0.10 1.25 0.10 5.31 1.85 -0.58 -4.64 116.66 119.86 1fur n ARG 126 Ca 0.17 0.46 0.09 0.00 -1.00 0.00 0.00 57.85 57.57 1fur n ARG 126 Cb 0.34 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.62 1fur n ARG 126 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1fur h LYS 127 N 1.19 0.00 -5.45 2.89 1.57 -1.87 -3.45 116.57 111.45 1fur h LYS 127 Ca -0.47 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 57.66 1fur h LYS 127 Cb 1.34 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.42 1fur h LYS 127 CO 0.55 0.09 -0.71 0.08 -0.57 0.00 0.00 179.45 178.89 1fur s VAL 128 N -3.23 3.54 -0.19 0.50 1.01 -1.26 -5.00 120.40 115.77 1fur s VAL 128 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1fur s VAL 128 Cb 0.09 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1fur s VAL 128 CO 0.78 0.52 0.04 -1.00 0.00 0.00 0.00 175.10 175.44 1fur s HIS 129 N 0.17 3.16 0.15 5.22 3.76 -1.26 -4.57 115.29 121.92 1fur s HIS 129 Ca -0.04 -0.10 -0.26 0.00 -0.15 0.00 0.00 55.06 54.50 1fur s HIS 129 Cb -0.14 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1fur s HIS 129 CO 0.04 0.02 1.58 -1.00 -0.85 0.00 0.00 174.74 174.53 1fur h PRO 130 N 6.97 -0.32 0.12 8.40 0.13 -1.93 0.62 132.00 146.00 1fur h PRO 130 Ca -0.36 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1fur h PRO 130 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1fur h PRO 130 CO 0.66 -0.21 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.25 1fur h ASN 131 N -0.33 -0.14 -0.45 1.44 4.21 -1.96 -1.80 115.58 116.55 1fur h ASN 131 Ca 0.14 -0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.46 1fur h ASN 131 Cb 0.58 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 1fur h ASN 131 CO -0.54 0.41 0.26 0.44 -1.29 0.00 0.00 177.43 176.71 1fur h ASP 132 N -1.01 0.57 0.00 5.81 3.32 -1.93 -3.11 116.42 120.07 1fur h ASP 132 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1fur h ASP 132 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1fur h ASP 132 CO 0.03 0.46 -0.68 0.47 -1.72 0.00 0.00 179.24 177.80 1fur n ASP 133 N -4.42 1.44 0.01 6.45 8.00 0.18 -4.24 116.55 123.97 1fur n ASP 133 Ca 0.04 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.78 1fur n ASP 133 Cb 0.10 -0.63 0.30 0.00 -0.02 0.00 0.00 41.12 40.87 1fur n ASP 133 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1fur h VAL 134 N -0.68 1.20 -0.64 2.53 2.07 -1.35 -2.67 116.25 116.70 1fur h VAL 134 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1fur h VAL 134 Cb 0.68 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1fur h VAL 134 CO 0.00 0.27 0.00 -3.20 0.02 0.00 0.00 177.57 174.66 1fur n ASN 135 N -4.28 4.96 -4.74 0.57 5.15 -0.69 -4.91 115.26 111.33 1fur n ASN 135 Ca 0.01 -2.53 -0.42 0.00 -0.60 0.00 0.00 54.58 51.05 1fur n ASN 135 Cb 0.25 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 1fur n ASN 135 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1fur s LYS 136 N -2.00 4.11 -0.33 1.20 2.20 -1.01 -1.85 119.74 122.06 1fur s LYS 136 Ca 0.52 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 1fur s LYS 136 Cb 0.35 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.64 1fur s LYS 136 CO 0.24 -0.68 0.00 0.43 -0.36 0.00 0.00 175.35 174.98 1fur n SER 137 N 2.65 -4.46 -4.41 1.43 7.64 -1.26 -4.97 113.62 110.24 1fur n SER 137 Ca 0.10 0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.78 1fur n SER 137 Cb 0.37 -2.23 -0.08 0.00 -1.01 0.00 0.00 64.21 61.25 1fur n SER 137 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1fur s GLN 138 N -1.57 2.03 -0.06 1.43 -0.21 -0.77 -4.84 119.66 115.67 1fur s GLN 138 Ca 0.00 -2.26 -0.17 0.00 0.02 0.00 0.00 55.36 52.96 1fur s GLN 138 Cb 0.00 -1.03 0.03 0.00 1.00 0.00 0.00 33.01 33.01 1fur s GLN 138 CO 0.00 -0.41 0.38 0.45 -2.12 0.00 0.00 175.29 173.60 1fur s SER 139 N -3.72 -0.31 0.40 5.90 0.15 -1.26 -4.97 113.70 109.88 1fur s SER 139 Ca 0.17 0.37 0.09 0.00 0.70 0.00 0.00 55.95 57.28 1fur s SER 139 Cb 0.03 0.49 0.87 0.00 -1.71 0.00 0.00 66.02 65.69 1fur s SER 139 CO 0.10 -0.38 2.00 0.28 1.20 0.00 0.00 173.24 176.44 1fur h SER 140 N 4.22 0.50 -0.79 5.45 0.02 -1.94 -0.51 113.55 120.49 1fur h SER 140 Ca -0.29 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1fur h SER 140 Cb 1.17 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 1fur h SER 140 CO 0.36 0.34 0.44 0.78 -1.14 0.00 0.00 176.83 177.60 1fur h ASN 141 N 0.58 0.61 0.05 3.07 2.35 -1.86 -2.10 115.58 118.28 1fur h ASN 141 Ca 0.24 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1fur h ASN 141 Cb 0.22 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1fur h ASN 141 CO -0.07 0.34 -1.42 -0.90 -1.65 0.00 0.00 177.43 173.73 1fur n ASP 142 N -4.78 0.54 -0.02 5.81 5.75 -0.91 -4.38 116.55 118.55 1fur n ASP 142 Ca 0.13 -0.49 -0.15 0.00 -0.01 0.00 0.00 54.79 54.27 1fur n ASP 142 Cb 0.29 1.39 -0.12 0.00 -1.03 0.00 0.00 41.12 41.65 1fur n ASP 142 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1fur h VAL 143 N 0.00 1.56 -0.39 2.12 2.07 -0.74 -3.17 116.25 117.70 1fur h VAL 143 Ca 0.00 -2.01 -0.00 0.00 0.82 0.00 0.00 66.70 65.50 1fur h VAL 143 Cb 0.74 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 1fur h VAL 143 CO 0.00 0.55 0.24 0.15 0.02 0.00 0.00 177.57 178.53 1fur h PHE 144 N -0.51 0.52 -0.57 1.57 3.57 -1.62 -1.30 116.94 118.61 1fur h PHE 144 Ca -0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1fur h PHE 144 Cb 1.06 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1fur h PHE 144 CO 0.19 0.37 0.37 -1.35 -2.23 0.00 0.00 178.31 175.66 1fur h PRO 145 N 0.52 0.75 -0.15 6.41 0.11 -1.76 -0.08 132.00 137.80 1fur h PRO 145 Ca 0.14 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 1fur h PRO 145 Cb 0.01 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1fur h PRO 145 CO -0.03 0.51 0.04 1.15 -0.21 0.00 0.00 178.00 179.46 1fur h THR 146 N 0.77 1.20 -0.74 -1.15 2.02 -1.43 -2.10 112.91 111.50 1fur h THR 146 Ca 0.21 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1fur h THR 146 Cb -0.08 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1fur h THR 146 CO -0.04 0.19 0.44 0.00 0.37 0.00 0.00 175.52 176.48 1fur h ALA 147 N 0.84 1.40 -0.32 6.16 0.00 -0.61 -1.35 119.26 125.37 1fur h ALA 147 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fur h ALA 147 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1fur h ALA 147 CO 0.00 0.52 0.20 0.52 0.00 0.00 0.00 179.25 180.49 1fur h MET 148 N 1.01 0.44 -0.31 0.00 2.86 -0.80 -1.46 114.93 116.67 1fur h MET 148 Ca 0.26 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1fur h MET 148 Cb -0.04 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1fur h MET 148 CO -0.05 0.33 -0.38 0.45 1.06 0.00 0.00 176.91 178.32 1fur h HIS 149 N 0.42 0.85 -0.10 -0.22 3.86 -1.00 -0.93 115.15 118.02 1fur h HIS 149 Ca 0.12 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1fur h HIS 149 Cb 0.00 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 1fur h HIS 149 CO -0.04 0.98 0.04 0.28 0.86 0.00 0.00 177.93 180.05 1fur h VAL 150 N 0.59 1.14 -0.50 2.45 2.07 -1.12 -0.76 116.25 120.12 1fur h VAL 150 Ca 0.05 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1fur h VAL 150 Cb 0.91 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1fur h VAL 150 CO 0.08 0.12 0.21 0.00 0.02 0.00 0.00 177.57 178.01 1fur h ALA 151 N 0.89 0.65 0.40 1.67 0.00 -1.23 -2.04 119.26 119.60 1fur h ALA 151 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1fur h ALA 151 Cb 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1fur h ALA 151 CO -0.00 0.24 -0.19 0.00 0.00 0.00 0.00 179.25 179.29 1fur h ALA 152 N 1.06 -0.53 -0.51 0.00 0.00 -1.04 -1.06 119.26 117.18 1fur h ALA 152 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fur h ALA 152 Cb 0.17 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1fur h ALA 152 CO -0.02 -0.75 0.32 1.25 0.00 0.00 0.00 179.25 180.06 1fur h LEU 153 N -0.63 0.55 -0.87 0.00 5.85 -1.14 -0.71 115.31 118.35 1fur h LEU 153 Ca -0.05 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1fur h LEU 153 Cb 0.46 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1fur h LEU 153 CO 0.09 0.39 0.00 -0.07 -0.34 0.00 0.00 178.44 178.51 1fur h LEU 154 N 0.66 0.81 -0.52 2.25 3.38 -1.37 -0.22 115.31 120.30 1fur h LEU 154 Ca 0.19 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1fur h LEU 154 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1fur h LEU 154 CO -0.06 0.87 -0.05 0.00 0.09 0.00 0.00 178.44 179.29 1fur h ALA 155 N 1.22 0.70 -0.19 1.53 0.00 -0.79 0.17 119.26 121.90 1fur h ALA 155 Ca 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1fur h ALA 155 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1fur h ALA 155 CO 0.02 0.56 -0.02 -0.07 0.00 0.00 0.00 179.25 179.74 1fur h LEU 156 N 0.81 0.34 -0.18 0.00 3.38 -0.87 -0.96 115.31 117.83 1fur h LEU 156 Ca 0.14 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1fur h LEU 156 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1fur h LEU 156 CO 0.04 0.60 -0.41 0.03 0.09 0.00 0.00 178.44 178.78 1fur h ARG 157 N 0.07 0.59 0.04 1.13 3.08 -1.00 -1.22 114.38 117.08 1fur h ARG 157 Ca 0.05 -0.40 -0.27 0.00 0.07 0.00 0.00 59.98 59.43 1fur h ARG 157 Cb 0.44 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 1fur h ARG 157 CO 0.01 1.02 -1.42 0.87 -1.07 0.00 0.00 179.97 179.38 1fur h LYS 158 N 0.26 0.09 0.00 0.04 1.57 -0.73 -3.40 116.57 114.39 1fur h LYS 158 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1fur h LYS 158 Cb 1.02 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1fur h LYS 158 CO 0.09 0.88 -0.42 1.04 -0.57 0.00 0.00 179.45 180.47 1fur n GLN 159 N -3.29 0.22 0.37 3.15 3.00 -0.41 -4.69 117.38 115.73 1fur n GLN 159 Ca -0.11 0.09 -0.19 0.00 -0.01 0.00 0.00 57.00 56.78 1fur n GLN 159 Cb 1.01 -0.83 -0.10 0.00 0.00 0.00 0.00 30.24 30.33 1fur n GLN 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1fur h LEU 160 N -0.42 -1.26 -0.57 1.08 7.12 -1.44 -2.89 115.31 116.93 1fur h LEU 160 Ca 0.00 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.17 1fur h LEU 160 Cb 0.42 0.39 -0.06 0.00 -0.53 0.00 0.00 40.66 40.88 1fur h LEU 160 CO 0.00 -0.70 0.25 0.40 -0.13 0.00 0.00 178.44 178.26 1fur h ILE 161 N -1.09 0.85 -0.66 4.05 2.04 -1.45 -0.62 117.51 120.63 1fur h ILE 161 Ca -0.08 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 1fur h ILE 161 Cb 0.90 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1fur h ILE 161 CO 0.03 0.08 0.30 -0.65 0.00 0.00 0.00 178.15 177.91 1fur h PRO 162 N 0.46 0.97 -0.67 2.37 0.11 -1.76 -0.47 132.00 133.00 1fur h PRO 162 Ca 0.28 -0.16 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 1fur h PRO 162 Cb 0.28 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1fur h PRO 162 CO -0.24 0.79 0.18 1.96 -0.21 0.00 0.00 178.00 180.47 1fur h GLN 163 N 0.92 1.04 -0.35 1.05 1.08 -1.23 -1.26 115.11 116.37 1fur h GLN 163 Ca 0.22 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1fur h GLN 163 Cb 0.16 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1fur h GLN 163 CO -0.02 0.91 0.13 1.25 -0.95 0.00 0.00 178.83 180.15 1fur h LEU 164 N 1.00 0.48 -0.37 1.46 5.85 -0.77 -1.95 115.31 121.01 1fur h LEU 164 Ca 0.21 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1fur h LEU 164 Cb 0.33 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1fur h LEU 164 CO -0.00 0.53 0.19 0.11 -0.34 0.00 0.00 178.44 178.93 1fur h LYS 165 N 0.41 0.38 -0.44 1.25 6.56 -0.78 -1.84 116.57 122.11 1fur h LYS 165 Ca 0.11 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1fur h LYS 165 Cb 0.20 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1fur h LYS 165 CO -0.01 0.25 0.29 1.15 -2.06 0.00 0.00 179.45 179.07 1fur h THR 166 N 0.40 1.12 -0.66 -0.16 2.02 -1.06 -1.65 112.91 112.90 1fur h THR 166 Ca 0.15 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 1fur h THR 166 Cb 0.05 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1fur h THR 166 CO -0.10 0.11 0.13 0.25 0.37 0.00 0.00 175.52 176.29 1fur h LEU 167 N 0.59 1.02 -0.57 2.58 5.85 -1.18 -1.98 115.31 121.62 1fur h LEU 167 Ca 0.16 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1fur h LEU 167 Cb -0.06 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1fur h LEU 167 CO -0.03 1.00 0.35 0.74 -0.34 0.00 0.00 178.44 180.16 1fur h THR 168 N 1.01 1.17 -0.51 1.05 2.02 -1.02 -1.46 112.91 115.17 1fur h THR 168 Ca 0.21 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1fur h THR 168 Cb 0.40 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1fur h THR 168 CO 0.01 0.17 0.27 -0.61 0.37 0.00 0.00 175.52 175.73 1fur h GLN 169 N 0.77 0.71 -0.17 6.66 -0.00 -1.03 0.88 115.11 122.94 1fur h GLN 169 Ca 0.21 -0.09 0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1fur h GLN 169 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.30 1fur h GLN 169 CO -0.04 0.56 0.09 1.15 0.00 0.00 0.00 178.83 180.59 1fur h THR 170 N 0.68 1.01 -0.02 2.39 2.02 -1.07 -1.30 112.91 116.62 1fur h THR 170 Ca 0.18 -0.07 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 1fur h THR 170 Cb 0.06 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1fur h THR 170 CO -0.03 0.04 -0.35 -0.07 0.37 0.00 0.00 175.52 175.48 1fur h LEU 171 N 0.19 0.05 -0.68 2.58 3.38 -1.01 -2.03 115.31 117.78 1fur h LEU 171 Ca 0.07 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1fur h LEU 171 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1fur h LEU 171 CO -0.04 0.39 -0.31 -1.13 0.09 0.00 0.00 178.44 177.44 1fur h ASN 172 N 0.04 0.70 -0.41 -0.43 -0.00 -0.44 -1.25 115.58 113.79 1fur h ASN 172 Ca 0.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 56.30 55.98 1fur h ASN 172 Cb 0.64 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.75 1fur h ASN 172 CO 0.05 0.96 0.10 -0.33 -0.00 0.00 0.00 177.43 178.21 1fur h GLU 173 N 0.57 0.65 -0.55 6.67 5.08 -0.73 -2.47 114.58 123.82 1fur h GLU 173 Ca 0.07 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1fur h GLU 173 Cb 0.82 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1fur h GLU 173 CO 0.07 0.67 0.29 0.87 -1.00 0.00 0.00 179.01 179.91 1fur h LYS 174 N 0.52 0.77 -0.66 2.33 1.79 -1.15 -0.36 116.57 119.81 1fur h LYS 174 Ca 0.13 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1fur h LYS 174 Cb 0.31 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.78 1fur h LYS 174 CO 0.00 0.60 0.44 0.66 -1.08 0.00 0.00 179.45 180.07 1fur h SER 175 N 0.73 0.75 -0.32 0.86 4.64 -1.14 -0.62 113.55 118.45 1fur h SER 175 Ca 0.19 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1fur h SER 175 Cb 0.06 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1fur h SER 175 CO -0.03 0.54 0.19 -0.09 -0.87 0.00 0.00 176.83 176.57 1fur h ARG 176 N 0.89 0.45 -0.43 4.77 2.43 -1.23 -1.80 114.38 119.46 1fur h ARG 176 Ca 0.25 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1fur h ARG 176 Cb -0.09 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1fur h ARG 176 CO -0.06 0.36 0.16 0.00 -1.51 0.00 0.00 179.97 178.92 1fur h ALA 177 N 1.06 1.47 -0.51 2.80 0.00 -0.60 -2.96 119.26 120.52 1fur h ALA 177 Ca 0.11 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1fur h ALA 177 Cb 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 1fur h ALA 177 CO -0.02 0.40 0.13 1.19 0.00 0.00 0.00 179.25 180.95 1fur n PHE 178 N -4.36 1.70 0.31 0.00 3.72 -0.28 -4.63 117.46 113.91 1fur n PHE 178 Ca 0.03 -1.26 0.19 0.00 -0.05 0.00 0.00 57.45 56.36 1fur n PHE 178 Cb 0.16 -0.55 1.00 0.00 -0.94 0.00 0.00 39.48 39.15 1fur n PHE 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fur h ALA 179 N 1.86 1.16 -0.01 4.37 0.00 -1.16 -1.31 119.26 124.17 1fur h ALA 179 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1fur h ALA 179 Cb 1.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1fur h ALA 179 CO 0.52 0.03 -0.53 -0.40 0.00 0.00 0.00 179.25 178.87 1fur n ASP 180 N -3.34 1.86 -4.51 0.00 5.75 -1.26 -4.71 116.55 110.34 1fur n ASP 180 Ca -0.02 -1.42 -0.43 0.00 -0.01 0.00 0.00 54.79 52.91 1fur n ASP 180 Cb 0.14 0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 40.69 1fur n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1fur s ILE 181 N -2.54 4.62 0.07 2.12 1.01 -1.04 -5.01 121.20 120.42 1fur s ILE 181 Ca 0.18 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.71 1fur s ILE 181 Cb 0.18 -4.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1fur s ILE 181 CO 0.60 -0.86 0.88 -0.69 0.00 0.00 0.00 174.94 174.88 1fur s VAL 182 N 3.34 4.65 0.21 2.92 1.01 -1.26 -0.31 120.40 130.96 1fur s VAL 182 Ca 0.26 1.89 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1fur s VAL 182 Cb -0.14 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1fur s VAL 182 CO 0.19 0.31 0.09 -1.59 0.00 0.00 0.00 175.10 174.10 1fur s LYS 183 N 0.13 1.23 0.10 2.72 -2.85 0.07 -4.82 119.74 116.32 1fur s LYS 183 Ca 0.44 -1.64 -0.30 0.00 -1.00 0.00 0.00 55.97 53.47 1fur s LYS 183 Cb -0.22 -0.00 -0.06 0.00 -2.06 0.00 0.00 37.83 35.49 1fur s LYS 183 CO 0.27 -0.30 1.04 -1.50 0.10 0.00 0.00 175.35 174.95 1fur s ILE 184 N -3.93 4.32 0.59 3.79 1.10 -1.26 -1.81 121.20 124.00 1fur s ILE 184 Ca 0.35 1.85 -0.09 0.00 -0.51 0.00 0.00 60.65 62.24 1fur s ILE 184 Cb 0.07 -4.18 -0.02 0.00 0.15 0.00 0.00 42.46 38.48 1fur s ILE 184 CO 0.10 0.25 0.96 -0.83 -2.11 0.00 0.00 174.94 173.31 1fur s GLY 185 N 0.32 1.60 -0.05 1.50 0.00 -0.99 -4.84 107.32 104.86 1fur s GLY 185 Ca 0.50 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.89 1fur s GLY 185 CO 0.31 -0.06 0.08 0.50 0.00 0.00 0.00 173.10 173.93 1fur s ARG 186 N -5.07 -0.05 -0.04 2.90 0.52 -1.26 -0.18 118.95 115.76 1fur s ARG 186 Ca 0.53 0.39 0.04 0.00 -0.52 0.00 0.00 55.73 56.18 1fur s ARG 186 Cb -0.11 -0.53 -0.00 0.00 0.52 0.00 0.00 34.95 34.83 1fur s ARG 186 CO 0.50 -0.34 -0.18 0.95 0.02 0.00 0.00 175.30 176.25 1fur s THR 187 N 2.19 1.47 -2.01 0.02 -4.23 -0.68 -4.62 115.64 107.78 1fur s THR 187 Ca 0.05 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1fur s THR 187 Cb -0.12 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1fur s THR 187 CO -0.04 0.42 0.00 0.59 -0.54 0.00 0.00 174.62 175.05 1fur n ASN 188 N 3.12 -5.36 0.00 3.99 4.13 -1.26 -0.69 115.26 119.19 1fur n ASN 188 Ca -0.18 0.42 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1fur n ASN 188 Cb 0.53 -4.54 0.00 0.00 -1.54 0.00 0.00 39.78 34.23 1fur n ASN 188 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1fur n LEU 189 N -2.27 0.26 -4.93 3.41 4.77 -1.26 -5.01 117.00 111.97 1fur n LEU 189 Ca -0.20 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.52 1fur n LEU 189 Cb 0.64 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1fur n LEU 189 CO 0.29 -0.17 -0.11 -1.10 -1.33 0.00 0.00 177.39 174.97 1fur s GLN 190 N -0.35 3.40 0.26 3.23 -1.52 0.13 -5.03 119.66 119.78 1fur s GLN 190 Ca 0.00 -0.62 -0.31 0.00 -1.95 0.00 0.00 55.36 52.48 1fur s GLN 190 Cb 0.00 -2.94 -0.12 0.00 -0.22 0.00 0.00 33.01 29.73 1fur s GLN 190 CO 0.00 0.52 1.59 -0.25 -0.25 0.00 0.00 175.29 176.90 1fur n ASP 191 N -0.53 3.66 -1.05 5.90 8.00 -1.26 -1.69 116.55 129.58 1fur n ASP 191 Ca -0.07 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.55 1fur n ASP 191 Cb 0.54 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1fur n ASP 191 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fur n ALA 192 N 2.54 0.00 -1.76 2.24 0.00 0.74 -4.80 120.51 119.46 1fur n ALA 192 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.18 1fur n ALA 192 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.81 1fur n ALA 192 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fur s THR 193 N -1.51 2.82 0.81 0.00 -4.23 -1.26 -3.54 115.64 108.73 1fur s THR 193 Ca 0.00 0.58 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1fur s THR 193 Cb 0.00 -3.28 0.08 0.00 1.34 0.00 0.00 72.50 70.64 1fur s THR 193 CO 0.00 -0.04 1.12 -2.16 -0.54 0.00 0.00 174.62 173.00 1fur s PRO 194 N -2.94 1.85 0.19 3.99 0.04 -1.26 -2.36 135.00 134.51 1fur s PRO 194 Ca 0.69 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 1fur s PRO 194 Cb -0.31 -1.84 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1fur s PRO 194 CO 0.36 -1.98 0.58 -0.48 0.04 0.00 0.00 177.00 175.52 1fur s LEU 195 N -5.99 -0.25 0.37 -3.56 2.34 -0.75 -4.80 118.68 106.04 1fur s LEU 195 Ca 0.65 -0.27 -0.10 0.00 0.06 0.00 0.00 54.13 54.48 1fur s LEU 195 Cb -0.21 2.43 -0.06 0.00 -0.56 0.00 0.00 46.19 47.79 1fur s LEU 195 CO 0.54 -1.05 0.72 0.42 -1.06 0.00 0.00 176.35 175.93 1fur s THR 196 N -3.82 4.83 0.34 5.48 -4.23 -1.26 -0.76 115.64 116.23 1fur s THR 196 Ca 0.05 0.53 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1fur s THR 196 Cb -0.02 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.37 1fur s THR 196 CO -0.07 -0.45 1.99 0.25 -0.54 0.00 0.00 174.62 175.80 1fur h LEU 197 N 1.44 0.75 -0.93 4.79 5.85 -0.79 -1.15 115.31 125.27 1fur h LEU 197 Ca -0.47 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 1fur h LEU 197 Cb 1.19 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1fur h LEU 197 CO 0.64 0.53 0.31 1.23 -0.34 0.00 0.00 178.44 180.81 1fur h GLY 198 N 0.88 1.16 0.88 3.75 0.00 -1.43 -0.72 103.07 107.59 1fur h GLY 198 Ca 0.27 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1fur h GLY 198 CO -0.07 0.57 0.02 1.46 0.00 0.00 0.00 176.54 178.52 1fur h GLN 199 N 1.06 0.50 -0.78 4.80 4.20 -1.54 -0.15 115.11 123.20 1fur h GLN 199 Ca 0.25 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1fur h GLN 199 Cb 0.18 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1fur h GLN 199 CO -0.02 0.64 0.51 1.49 -0.67 0.00 0.00 178.83 180.77 1fur h GLU 200 N 0.30 0.97 -0.12 1.46 4.81 -0.93 -1.74 114.58 119.33 1fur h GLU 200 Ca 0.08 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1fur h GLU 200 Cb 0.40 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1fur h GLU 200 CO 0.01 0.64 -0.45 0.82 -0.73 0.00 0.00 179.01 179.30 1fur h ILE 201 N 1.00 1.32 0.00 2.32 2.04 -0.99 -2.57 117.51 120.64 1fur h ILE 201 Ca 0.30 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 1fur h ILE 201 Cb -0.04 1.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1fur h ILE 201 CO -0.09 0.49 -0.04 0.77 0.00 0.00 0.00 178.15 179.27 1fur h SER 202 N 0.24 0.00 -0.54 1.72 4.64 -0.13 0.08 113.55 119.56 1fur h SER 202 Ca 0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1fur h SER 202 Cb 0.90 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 1fur h SER 202 CO 0.07 0.04 0.18 1.23 -0.87 0.00 0.00 176.83 177.49 1fur h GLY 203 N 0.16 0.89 1.00 -0.77 0.00 -1.03 -0.26 103.07 103.06 1fur h GLY 203 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1fur h GLY 203 CO 0.01 0.48 0.31 1.49 0.00 0.00 0.00 176.54 178.83 1fur h TRP 204 N 0.74 0.91 -0.16 5.60 6.55 -1.04 -1.69 115.95 126.85 1fur h TRP 204 Ca 0.18 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 1fur h TRP 204 Cb 0.26 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1fur h TRP 204 CO 0.01 0.68 0.09 0.28 -1.05 0.00 0.00 178.44 178.46 1fur h VAL 205 N 0.87 1.09 -0.64 1.49 2.07 -1.08 -1.99 116.25 118.06 1fur h VAL 205 Ca 0.22 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fur h VAL 205 Cb 0.11 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1fur h VAL 205 CO -0.03 0.08 0.39 0.00 0.02 0.00 0.00 177.57 178.03 1fur h ALA 206 N 1.00 1.49 -0.29 1.67 0.00 -0.80 -0.43 119.26 121.89 1fur h ALA 206 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1fur h ALA 206 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1fur h ALA 206 CO -0.01 0.45 0.14 0.52 0.00 0.00 0.00 179.25 180.35 1fur h MET 207 N 0.87 0.42 -0.47 0.00 2.07 -0.96 -1.29 114.93 115.57 1fur h MET 207 Ca 0.23 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.73 1fur h MET 207 Cb -0.05 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.58 1fur h MET 207 CO -0.04 0.39 -0.02 -0.07 1.07 0.00 0.00 176.91 178.24 1fur h LEU 208 N 0.34 0.76 -0.55 1.22 3.38 -0.72 -1.66 115.31 118.07 1fur h LEU 208 Ca 0.10 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1fur h LEU 208 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1fur h LEU 208 CO -0.01 0.84 0.02 -0.33 0.09 0.00 0.00 178.44 179.04 1fur h GLU 209 N 0.73 0.96 -0.67 1.13 5.08 -0.87 -2.05 114.58 118.90 1fur h GLU 209 Ca 0.14 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1fur h GLU 209 Cb 0.47 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1fur h GLU 209 CO 0.02 0.96 0.15 0.45 -1.00 0.00 0.00 179.01 179.59 1fur h HIS 210 N 0.85 1.13 -0.90 4.33 3.86 -1.02 -2.88 115.15 120.52 1fur h HIS 210 Ca 0.16 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1fur h HIS 210 Cb 0.52 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1fur h HIS 210 CO 0.04 0.94 0.50 -0.91 0.86 0.00 0.00 177.93 179.36 1fur h ASN 211 N 1.00 1.12 -0.39 2.45 2.35 -1.07 -1.99 115.58 119.05 1fur h ASN 211 Ca 0.21 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1fur h ASN 211 Cb 0.38 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1fur h ASN 211 CO 0.00 0.89 0.21 0.25 -1.65 0.00 0.00 177.43 177.14 1fur h LEU 212 N 1.26 0.34 -0.34 1.61 5.85 -1.17 -0.39 115.31 122.47 1fur h LEU 212 Ca 0.32 0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1fur h LEU 212 Cb 0.01 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1fur h LEU 212 CO -0.05 0.24 0.11 0.50 -0.34 0.00 0.00 178.44 178.90 1fur h LYS 213 N 0.44 0.24 -0.74 1.25 3.64 -1.33 -0.50 116.57 119.58 1fur h LYS 213 Ca 0.16 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1fur h LYS 213 Cb 0.03 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1fur h LYS 213 CO -0.08 0.16 0.44 0.45 -2.27 0.00 0.00 179.45 178.15 1fur h HIS 214 N 0.25 0.97 -0.51 1.91 3.86 -0.81 -1.95 115.15 118.86 1fur h HIS 214 Ca 0.15 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 1fur h HIS 214 Cb 0.13 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1fur h HIS 214 CO -0.15 0.66 -0.04 0.82 0.86 0.00 0.00 177.93 180.08 1fur h ILE 215 N 1.01 1.26 -0.30 2.45 2.04 -0.69 -2.78 117.51 120.49 1fur h ILE 215 Ca 0.26 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 1fur h ILE 215 Cb -0.03 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1fur h ILE 215 CO -0.05 0.40 -0.09 -0.33 0.00 0.00 0.00 178.15 178.08 1fur h GLU 216 N 0.82 0.49 0.00 2.37 5.08 -0.64 -2.29 114.58 120.40 1fur h GLU 216 Ca 0.15 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1fur h GLU 216 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1fur h GLU 216 CO 0.03 0.58 -0.14 1.88 -1.00 0.00 0.00 179.01 180.37 1fur h TYR 217 N 0.46 0.00 0.00 4.33 0.05 -1.08 -2.71 116.97 118.02 1fur h TYR 217 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1fur h TYR 217 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1fur h TYR 217 CO 0.01 0.14 -0.38 -1.13 -1.05 0.00 0.00 178.16 175.75 1fur n SER 218 N -3.60 0.51 -0.16 3.88 3.41 -0.87 -4.35 113.62 112.43 1fur n SER 218 Ca -0.02 0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1fur n SER 218 Cb 0.27 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1fur n SER 218 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1fur h LEU 219 N 0.00 0.77 -0.93 1.04 3.38 -1.47 -3.22 115.31 114.89 1fur h LEU 219 Ca 0.00 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.83 1fur h LEU 219 Cb 0.61 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 1fur h LEU 219 CO 0.00 0.86 0.55 -0.65 0.09 0.00 0.00 178.44 179.28 1fur h PRO 220 N 0.66 0.80 -0.34 1.13 0.11 -1.76 -1.56 132.00 131.04 1fur h PRO 220 Ca 0.14 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.05 1fur h PRO 220 Cb 0.43 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1fur h PRO 220 CO 0.01 0.53 -0.40 1.25 -0.21 0.00 0.00 178.00 179.18 1fur h HIS 221 N 0.82 1.01 0.00 0.65 2.76 -1.85 -2.90 115.15 115.64 1fur h HIS 221 Ca 0.48 -0.31 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1fur h HIS 221 Cb 0.57 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1fur h HIS 221 CO -0.04 1.10 -0.23 0.28 -1.30 0.00 0.00 177.93 177.74 1fur h VAL 222 N 0.68 0.86 0.00 5.26 2.07 -1.40 -2.71 116.25 121.00 1fur h VAL 222 Ca 0.05 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1fur h VAL 222 Cb 0.98 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1fur h VAL 222 CO 0.09 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1fur n ALA 223 N -2.36 1.73 -2.53 1.67 0.00 -0.65 -4.73 120.51 113.65 1fur n ALA 223 Ca -0.02 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1fur n ALA 223 Cb 0.33 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1fur n ALA 223 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1fur s GLU 224 N -3.22 4.48 -0.02 0.00 2.02 -1.03 -1.68 118.70 119.25 1fur s GLU 224 Ca 0.06 1.63 0.01 0.00 0.02 0.00 0.00 54.97 56.69 1fur s GLU 224 Cb 0.10 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1fur s GLU 224 CO 0.39 -0.19 0.01 -0.51 0.02 0.00 0.00 175.26 174.98 1fur s LEU 225 N 1.10 3.57 0.35 1.80 1.43 0.57 -4.73 118.68 122.76 1fur s LEU 225 Ca 0.56 0.04 0.18 0.00 -1.03 0.00 0.00 54.13 53.89 1fur s LEU 225 Cb -0.26 -2.01 0.20 0.00 0.03 0.00 0.00 46.19 44.15 1fur s LEU 225 CO 0.28 0.30 1.52 0.00 0.23 0.00 0.00 176.35 178.68 1fur h ALA 226 N 4.48 0.81 -1.41 4.21 0.00 -1.87 0.36 119.26 125.84 1fur h ALA 226 Ca -0.49 -0.28 -0.75 0.00 0.00 0.00 0.00 54.91 53.39 1fur h ALA 226 Cb 1.18 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1fur h ALA 226 CO 0.57 0.38 0.62 1.28 0.00 0.00 0.00 179.25 182.11 1fur n LEU 227 N -3.18 1.64 0.00 0.00 4.77 -1.24 -1.30 117.00 117.69 1fur n LEU 227 Ca 0.03 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1fur n LEU 227 Cb 0.65 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1fur n LEU 227 CO 0.38 -0.88 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 1fur n GLY 228 N 3.32 2.53 0.18 -0.72 0.00 -1.26 -4.59 105.19 104.65 1fur n GLY 228 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1fur n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fur h GLY 229 N 0.00 0.00 0.00 -0.02 0.00 -1.48 -3.35 103.07 98.23 1fur h GLY 229 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fur h GLY 229 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 176.54 178.95 1fur n THR 230 N -3.54 0.00 -0.06 4.70 -1.04 -1.26 -1.30 114.28 111.77 1fur n THR 230 Ca -0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1fur n THR 230 Cb 0.52 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.00 1fur n THR 230 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fur h ALA 231 N -0.78 -0.28 -0.03 2.41 0.00 -1.93 -3.35 119.26 115.31 1fur h ALA 231 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fur h ALA 231 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1fur h ALA 231 CO 0.00 -0.76 0.00 1.33 0.00 0.00 0.00 179.25 179.82 1fur n VAL 232 N -5.41 0.32 0.00 0.00 0.24 -1.26 -4.88 118.33 107.33 1fur n VAL 232 Ca -0.01 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1fur n VAL 232 Cb 0.33 0.88 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 1fur n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fur n GLY 233 N 0.01 1.84 0.18 7.63 0.00 -0.42 -4.77 105.19 109.66 1fur n GLY 233 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 1fur n GLY 233 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1fur h THR 234 N 0.00 1.10 0.00 2.61 1.35 -1.88 -3.43 112.91 112.67 1fur h THR 234 Ca 0.00 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.25 1fur h THR 234 Cb 0.00 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1fur h THR 234 CO 0.00 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1fur n GLY 235 N 0.07 0.71 3.69 5.82 0.00 -0.83 -5.01 105.19 109.64 1fur n GLY 235 Ca -0.01 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1fur n GLY 235 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1fur n LEU 236 N 0.00 3.41 -0.68 0.99 7.94 -1.26 -2.79 117.00 124.62 1fur n LEU 236 Ca 0.00 1.13 -0.03 0.00 -1.11 0.00 0.00 56.01 56.00 1fur n LEU 236 Cb 0.00 -1.47 0.01 0.00 0.53 0.00 0.00 43.42 42.49 1fur n LEU 236 CO 0.00 -0.30 0.01 0.59 -1.11 0.00 0.00 177.39 176.58 1fur n ASN 237 N 2.37 -2.22 -3.89 1.96 3.02 -1.26 -4.81 115.26 110.43 1fur n ASN 237 Ca 0.12 -0.04 -0.11 0.00 -0.03 0.00 0.00 54.58 54.52 1fur n ASN 237 Cb 0.32 -1.10 -0.10 0.00 -0.61 0.00 0.00 39.78 38.30 1fur n ASN 237 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1fur s THR 238 N -2.69 0.10 0.28 3.41 -4.23 -1.12 -4.77 115.64 106.63 1fur s THR 238 Ca 0.05 -0.83 -0.29 0.00 -1.18 0.00 0.00 61.69 59.44 1fur s THR 238 Cb -0.02 -0.61 -0.10 0.00 1.34 0.00 0.00 72.50 73.12 1fur s THR 238 CO 0.06 -0.46 1.17 -2.28 -0.54 0.00 0.00 174.62 172.57 1fur s HIS 239 N -1.85 3.41 0.54 3.99 2.46 -1.26 -4.91 115.29 117.67 1fur s HIS 239 Ca -0.11 1.58 0.35 0.00 0.47 0.00 0.00 55.06 57.35 1fur s HIS 239 Cb -0.05 -3.42 1.53 0.00 -0.13 0.00 0.00 32.58 30.52 1fur s HIS 239 CO -0.01 -1.01 1.83 -1.00 -2.47 0.00 0.00 174.74 172.08 1fur h PRO 240 N 3.91 0.00 -0.00 2.88 0.13 -2.00 0.35 132.00 137.25 1fur h PRO 240 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1fur h PRO 240 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fur h PRO 240 CO 0.68 0.00 -0.55 0.39 -0.23 0.00 0.00 178.00 178.28 1fur n GLU 241 N -4.20 0.37 -0.11 0.86 1.02 -1.26 -4.54 120.64 112.78 1fur n GLU 241 Ca 0.23 -0.26 -0.05 0.00 -0.02 0.00 0.00 57.16 57.07 1fur n GLU 241 Cb 1.16 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 31.10 1fur n GLU 241 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 1fur h TYR 242 N 0.62 -0.20 -0.27 -0.32 3.20 -1.29 -0.51 116.97 118.20 1fur h TYR 242 Ca 0.00 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.92 1fur h TYR 242 Cb 0.54 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1fur h TYR 242 CO 0.00 -0.16 0.14 0.00 -1.64 0.00 0.00 178.16 176.49 1fur h ALA 243 N 1.37 0.33 -0.28 1.82 0.00 -1.80 0.55 119.26 121.26 1fur h ALA 243 Ca 0.18 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1fur h ALA 243 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fur h ALA 243 CO -0.39 -0.26 -0.29 -0.09 0.00 0.00 0.00 179.25 178.23 1fur h ARG 244 N 0.29 0.69 -0.14 0.00 9.65 -1.83 -2.27 114.38 120.76 1fur h ARG 244 Ca 0.11 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1fur h ARG 244 Cb 0.03 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1fur h ARG 244 CO -0.08 0.98 0.10 0.00 2.80 0.00 0.00 179.97 183.77 1fur h ARG 245 N 0.42 0.19 -0.52 0.20 3.08 -0.89 -0.01 114.38 116.85 1fur h ARG 245 Ca 0.04 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1fur h ARG 245 Cb 0.86 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1fur h ARG 245 CO 0.07 0.13 0.09 -0.24 -1.07 0.00 0.00 179.97 178.95 1fur h VAL 246 N 0.19 1.23 -0.50 2.04 3.04 -0.91 0.36 116.25 121.70 1fur h VAL 246 Ca 0.05 -0.88 -0.03 0.00 -1.01 0.00 0.00 66.70 64.83 1fur h VAL 246 Cb -0.02 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 29.98 1fur h VAL 246 CO -0.01 0.32 0.18 0.00 -1.01 0.00 0.00 177.57 177.05 1fur h ALA 247 N 1.31 0.65 -0.37 3.17 0.00 -1.04 -0.70 119.26 122.30 1fur h ALA 247 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1fur h ALA 247 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1fur h ALA 247 CO 0.01 0.29 0.11 -0.44 0.00 0.00 0.00 179.25 179.22 1fur h ASP 248 N 0.67 0.54 -0.45 0.00 3.32 -0.45 -1.35 116.42 118.70 1fur h ASP 248 Ca 0.16 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1fur h ASP 248 Cb 0.24 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1fur h ASP 248 CO -0.01 0.60 0.23 -0.08 -1.72 0.00 0.00 179.24 178.26 1fur h GLU 249 N 0.44 0.45 -0.86 3.56 4.57 -0.68 -0.40 114.58 121.66 1fur h GLU 249 Ca 0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1fur h GLU 249 Cb 0.26 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1fur h GLU 249 CO -0.00 0.30 0.54 1.25 -1.18 0.00 0.00 179.01 179.92 1fur h LEU 250 N 0.46 1.01 -0.44 1.64 5.85 -0.95 -1.40 115.31 121.49 1fur h LEU 250 Ca 0.19 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1fur h LEU 250 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1fur h LEU 250 CO -0.13 0.76 0.27 0.00 -0.34 0.00 0.00 178.44 179.00 1fur h ALA 251 N 1.30 0.56 0.23 1.25 0.00 -0.37 -1.81 119.26 120.42 1fur h ALA 251 Ca 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1fur h ALA 251 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1fur h ALA 251 CO -0.06 0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.40 1fur h VAL 252 N 0.59 0.78 0.00 0.00 2.07 -0.49 0.37 116.25 119.57 1fur h VAL 252 Ca 0.16 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1fur h VAL 252 Cb -0.02 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1fur h VAL 252 CO -0.03 0.01 -0.19 0.16 0.02 0.00 0.00 177.57 177.54 1fur h ILE 253 N -0.33 0.46 0.00 4.57 3.07 -1.21 -3.15 117.51 120.91 1fur h ILE 253 Ca -0.03 -1.03 0.00 0.00 1.55 0.00 0.00 64.86 65.35 1fur h ILE 253 Cb 0.26 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.54 1fur h ILE 253 CO 0.05 0.18 -1.66 0.35 -1.05 0.00 0.00 178.15 176.02 1fur n THR 254 N -3.34 0.00 -1.71 0.16 -2.24 -0.69 -4.98 114.28 101.48 1fur n THR 254 Ca 0.00 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1fur n THR 254 Cb 0.41 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.87 1fur n THR 254 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fur s ALA 256 N -2.54 2.98 -1.17 0.00 0.00 -1.16 -5.03 121.76 114.83 1fur s ALA 256 Ca 0.00 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 1fur s ALA 256 Cb 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 22.15 1fur s ALA 256 CO 0.00 0.64 2.39 -0.35 0.00 0.00 0.00 175.76 178.43 1fur n PRO 257 N 0.65 2.62 -2.58 0.00 -0.04 -1.26 -4.36 135.00 130.03 1fur n PRO 257 Ca -0.13 -1.80 -0.38 0.00 -0.04 0.00 0.00 63.50 61.15 1fur n PRO 257 Cb 0.52 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.29 1fur n PRO 257 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1fur s PHE 258 N 3.11 3.51 0.06 0.54 0.08 -1.26 -4.89 117.98 119.14 1fur s PHE 258 Ca 0.51 1.71 0.01 0.00 0.12 0.00 0.00 56.93 59.28 1fur s PHE 258 Cb 0.13 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1fur s PHE 258 CO -0.03 -0.35 -0.05 0.14 -0.10 0.00 0.00 175.22 174.82 1fur s VAL 259 N -1.44 0.43 0.21 -0.44 -7.23 -0.68 -4.68 120.40 106.58 1fur s VAL 259 Ca 0.51 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1fur s VAL 259 Cb -0.25 -1.30 -0.08 0.00 0.56 0.00 0.00 36.38 35.31 1fur s VAL 259 CO 0.32 -0.80 1.02 0.28 -0.31 0.00 0.00 175.10 175.60 1fur s THR 260 N -3.14 3.98 0.17 5.32 -1.32 -1.26 -0.32 115.64 119.06 1fur s THR 260 Ca 0.04 1.85 -0.31 0.00 -1.21 0.00 0.00 61.69 62.05 1fur s THR 260 Cb 0.02 -4.18 -0.11 0.00 -1.51 0.00 0.00 72.50 66.72 1fur s THR 260 CO -0.05 0.38 1.79 0.00 -2.21 0.00 0.00 174.62 174.53 1fur s ALA 261 N -0.73 3.85 0.45 11.08 0.00 0.12 -4.64 121.76 131.89 1fur s ALA 261 Ca 0.45 1.53 0.11 0.00 0.00 0.00 0.00 51.96 54.04 1fur s ALA 261 Cb -0.28 -3.74 1.02 0.00 0.00 0.00 0.00 23.12 20.12 1fur s ALA 261 CO 0.34 -1.09 2.08 -1.35 0.00 0.00 0.00 175.76 175.74 1fur h PRO 262 N 7.77 0.30 -3.95 0.00 0.11 -1.93 -3.36 132.00 130.95 1fur h PRO 262 Ca -0.45 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.05 1fur h PRO 262 Cb 1.21 -0.07 -0.39 0.00 0.11 0.00 0.00 31.00 31.86 1fur h PRO 262 CO 0.95 0.22 -0.76 1.21 -0.21 0.00 0.00 178.00 179.41 1fur s ASN 263 N -6.85 3.92 0.57 -2.05 3.84 -1.26 -4.99 114.94 108.11 1fur s ASN 263 Ca -0.07 -1.46 0.35 0.00 0.21 0.00 0.00 52.86 51.89 1fur s ASN 263 Cb 0.17 -1.03 1.51 0.00 -0.55 0.00 0.00 41.25 41.35 1fur s ASN 263 CO 0.71 -0.34 2.04 0.11 -2.79 0.00 0.00 177.10 176.82 1fur h LYS 264 N 8.00 0.00 -0.15 0.43 1.79 -1.84 -2.33 116.57 122.47 1fur h LYS 264 Ca -0.14 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.14 1fur h LYS 264 Cb 1.05 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1fur h LYS 264 CO 0.44 0.00 -0.66 0.74 -1.08 0.00 0.00 179.45 178.89 1fur h PHE 265 N 0.00 0.95 -0.58 -1.35 0.04 -1.86 -0.87 116.94 113.27 1fur h PHE 265 Ca -0.00 -0.41 -0.10 0.00 2.80 0.00 0.00 57.97 60.26 1fur h PHE 265 Cb 0.45 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1fur h PHE 265 CO 0.00 1.22 -0.04 1.49 -0.60 0.00 0.00 178.31 180.38 1fur h GLU 266 N 0.40 1.05 -0.69 1.51 4.22 -1.93 -0.77 114.58 118.37 1fur h GLU 266 Ca -0.04 -0.35 -0.06 0.00 0.08 0.00 0.00 59.36 58.99 1fur h GLU 266 Cb 1.29 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 1fur h GLU 266 CO 0.14 1.05 0.20 0.00 -2.18 0.00 0.00 179.01 178.22 1fur h ALA 267 N 0.96 1.06 0.20 2.92 0.00 -1.30 -2.83 119.26 120.27 1fur h ALA 267 Ca 0.16 -0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1fur h ALA 267 Cb 0.60 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1fur h ALA 267 CO 0.04 0.63 -1.68 -0.07 0.00 0.00 0.00 179.25 178.17 1fur h LEU 268 N 1.02 0.68 0.00 0.00 4.07 -1.06 -3.37 115.31 116.65 1fur h LEU 268 Ca 0.22 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.25 1fur h LEU 268 Cb 0.31 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1fur h LEU 268 CO -0.01 1.77 0.00 0.00 -1.08 0.00 0.00 178.44 179.13 1fur n ALA 269 N -2.83 2.17 -2.33 1.53 0.00 -0.30 -2.35 120.51 116.40 1fur n ALA 269 Ca -0.23 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1fur n ALA 269 Cb 1.08 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 1fur n ALA 269 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1fur s THR 270 N -2.99 0.00 -0.21 0.00 -4.23 -1.07 -3.67 115.64 103.48 1fur s THR 270 Ca 0.13 -1.92 0.12 0.00 -1.18 0.00 0.00 61.69 58.84 1fur s THR 270 Cb 0.17 -2.46 0.43 0.00 1.34 0.00 0.00 72.50 71.98 1fur s THR 270 CO 0.46 -0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.75 1fur h ASP 272 N 1.32 0.70 -0.83 0.00 3.32 -1.89 -1.62 116.42 117.42 1fur h ASP 272 Ca 0.05 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.17 1fur h ASP 272 Cb 1.23 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1fur h ASP 272 CO 0.18 0.36 0.55 0.00 -1.72 0.00 0.00 179.24 178.62 1fur h ALA 273 N 1.51 1.42 0.05 3.45 0.00 -1.90 -1.29 119.26 122.50 1fur h ALA 273 Ca 0.44 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 55.06 1fur h ALA 273 Cb 0.48 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1fur h ALA 273 CO -0.28 0.53 -1.05 -0.07 0.00 0.00 0.00 179.25 178.38 1fur h LEU 274 N 1.11 0.40 -0.58 0.00 3.38 -1.79 0.05 115.31 117.88 1fur h LEU 274 Ca 0.31 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1fur h LEU 274 Cb -0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1fur h LEU 274 CO -0.07 1.22 0.29 0.58 0.09 0.00 0.00 178.44 180.55 1fur h VAL 275 N 0.13 1.20 -0.08 1.22 2.07 -0.95 0.39 116.25 120.23 1fur h VAL 275 Ca -0.09 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1fur h VAL 275 Cb 1.73 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1fur h VAL 275 CO 0.17 0.23 -0.08 1.56 0.02 0.00 0.00 177.57 179.47 1fur h GLN 276 N 0.79 0.20 -0.90 1.57 1.08 -1.24 -2.56 115.11 114.05 1fur h GLN 276 Ca 0.20 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1fur h GLN 276 Cb 0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.49 1fur h GLN 276 CO -0.03 0.62 0.56 0.00 -0.95 0.00 0.00 178.83 179.03 1fur h ALA 277 N 0.57 1.30 0.00 3.87 0.00 -0.89 -0.47 119.26 123.64 1fur h ALA 277 Ca 0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1fur h ALA 277 Cb 0.59 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1fur h ALA 277 CO 0.02 0.62 -0.24 1.25 0.00 0.00 0.00 179.25 180.90 1fur h HIS 278 N 1.23 0.00 -0.90 0.00 -0.00 -0.89 -2.15 115.15 112.44 1fur h HIS 278 Ca 0.32 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.73 1fur h HIS 278 Cb -0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.27 1fur h HIS 278 CO 0.00 0.24 0.58 0.78 -0.00 0.00 0.00 177.93 179.53 1fur h GLY 279 N 1.33 1.32 1.92 5.26 0.00 -0.65 -0.09 103.07 112.16 1fur h GLY 279 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1fur h GLY 279 CO 0.03 0.36 -0.42 0.00 0.00 0.00 0.00 176.54 176.51 1fur h ALA 280 N 1.38 1.22 -0.28 3.60 0.00 -1.32 -2.28 119.26 121.58 1fur h ALA 280 Ca 0.37 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 1fur h ALA 280 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1fur h ALA 280 CO -0.13 0.56 -0.49 -0.07 0.00 0.00 0.00 179.25 179.12 1fur h LEU 281 N 0.08 0.92 -1.19 0.00 3.38 -0.99 -1.10 115.31 116.41 1fur h LEU 281 Ca 0.01 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1fur h LEU 281 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1fur h LEU 281 CO 0.06 1.28 -0.32 0.07 0.09 0.00 0.00 178.44 179.62 1fur h LYS 282 N 0.61 0.00 -0.29 1.13 5.09 -0.97 -0.75 116.57 121.39 1fur h LYS 282 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.71 1fur h LYS 282 Cb 1.10 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.42 1fur h LYS 282 CO 0.11 0.32 0.01 0.78 -2.09 0.00 0.00 179.45 178.57 1fur h GLY 283 N 1.67 0.55 1.41 0.07 0.00 -1.13 -1.85 103.07 103.79 1fur h GLY 283 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1fur h GLY 283 CO 0.04 0.37 0.06 -2.00 0.00 0.00 0.00 176.54 175.01 1fur h LEU 284 N 0.30 0.69 -0.86 3.11 5.85 -0.67 -2.56 115.31 121.17 1fur h LEU 284 Ca 0.08 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 1fur h LEU 284 Cb 0.42 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1fur h LEU 284 CO 0.01 0.72 0.39 0.00 -0.34 0.00 0.00 178.44 179.22 1fur h ALA 285 N 1.37 1.10 -0.54 1.25 0.00 -0.87 -0.65 119.26 120.92 1fur h ALA 285 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1fur h ALA 285 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1fur h ALA 285 CO 0.01 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.91 1fur h ALA 286 N 1.22 0.95 -0.18 0.00 0.00 -1.03 -0.91 119.26 119.31 1fur h ALA 286 Ca 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1fur h ALA 286 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1fur h ALA 286 CO -0.03 0.63 -0.05 0.77 0.00 0.00 0.00 179.25 180.57 1fur h SER 287 N 0.86 0.35 -0.50 0.00 0.02 -1.13 -2.83 113.55 110.33 1fur h SER 287 Ca 0.16 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 1fur h SER 287 Cb 0.53 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1fur h SER 287 CO 0.03 0.65 0.19 -0.07 -1.14 0.00 0.00 176.83 176.48 1fur h LEU 288 N 0.05 0.74 -0.57 5.07 3.38 -1.02 -1.97 115.31 121.00 1fur h LEU 288 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1fur h LEU 288 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1fur h LEU 288 CO 0.02 0.69 0.36 -0.03 0.09 0.00 0.00 178.44 179.57 1fur h MET 289 N 0.79 0.76 -0.49 1.13 4.05 -1.10 0.23 114.93 120.30 1fur h MET 289 Ca 0.18 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1fur h MET 289 Cb 0.21 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1fur h MET 289 CO -0.01 0.53 0.08 -0.22 0.23 0.00 0.00 176.91 177.52 1fur h LYS 290 N 0.77 0.82 -0.24 0.39 3.11 -1.21 -0.73 116.57 119.47 1fur h LYS 290 Ca 0.21 -0.22 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1fur h LYS 290 Cb -0.05 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.08 1fur h LYS 290 CO -0.04 0.82 0.08 0.82 -2.81 0.00 0.00 179.45 178.31 1fur h ILE 291 N 0.69 1.19 -0.71 2.00 2.04 -1.09 -0.93 117.51 120.69 1fur h ILE 291 Ca 0.15 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1fur h ILE 291 Cb 0.40 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1fur h ILE 291 CO 0.01 0.20 0.39 0.00 0.00 0.00 0.00 178.15 178.75 1fur h ALA 292 N 0.91 0.91 -0.56 1.87 0.00 -0.87 -1.84 119.26 119.68 1fur h ALA 292 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1fur h ALA 292 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1fur h ALA 292 CO -0.00 0.42 0.18 -0.91 0.00 0.00 0.00 179.25 178.94 1fur h ASN 293 N 0.98 0.81 -0.41 0.00 2.35 -0.93 -1.78 115.58 116.60 1fur h ASN 293 Ca 0.25 -0.20 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1fur h ASN 293 Cb 0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1fur h ASN 293 CO -0.04 0.79 0.26 0.44 -1.65 0.00 0.00 177.43 177.23 1fur h ASP 294 N 0.78 0.43 0.10 5.81 5.19 -0.85 -1.04 116.42 126.83 1fur h ASP 294 Ca 0.18 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1fur h ASP 294 Cb 0.27 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 1fur h ASP 294 CO -0.01 0.31 -0.06 0.58 -3.12 0.00 0.00 179.24 176.95 1fur h VAL 295 N 0.52 0.88 -0.07 -1.35 2.07 -1.15 0.38 116.25 117.53 1fur h VAL 295 Ca 0.15 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 1fur h VAL 295 Cb -0.03 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1fur h VAL 295 CO -0.05 0.00 -0.35 0.08 0.02 0.00 0.00 177.57 177.27 1fur h ARG 296 N -0.15 0.15 -0.15 1.57 0.11 -1.19 -1.12 114.38 113.60 1fur h ARG 296 Ca -0.01 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 59.83 1fur h ARG 296 Cb 0.12 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.20 1fur h ARG 296 CO 0.01 0.48 -0.61 -1.49 0.10 0.00 0.00 179.97 178.47 1fur h TRP 297 N 0.13 0.90 0.00 4.08 4.06 -1.02 -1.96 115.95 122.14 1fur h TRP 297 Ca 0.02 -0.38 -0.04 0.00 2.06 0.00 0.00 58.89 60.55 1fur h TRP 297 Cb 0.68 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 1fur h TRP 297 CO 0.01 1.19 -0.18 -0.07 -3.56 0.00 0.00 178.44 175.83 1fur h LEU 298 N 0.36 0.00 -1.31 -4.49 3.38 -0.71 -2.11 115.31 110.44 1fur h LEU 298 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1fur h LEU 298 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fur h LEU 298 CO 0.13 0.18 -0.05 0.00 0.09 0.00 0.00 178.44 178.79 1fur n ALA 299 N -2.31 2.63 -1.77 1.53 0.00 -0.44 -0.43 120.51 119.71 1fur n ALA 299 Ca -0.02 -0.55 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1fur n ALA 299 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1fur n ALA 299 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1fur n SER 300 N 0.56 3.68 0.00 0.00 3.41 -0.75 -4.58 113.62 115.95 1fur n SER 300 Ca 0.16 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1fur n SER 300 Cb 0.46 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1fur n SER 300 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fur n GLY 301 N 0.48 -0.49 0.22 5.00 0.00 -1.26 -0.33 105.19 108.81 1fur n GLY 301 Ca 0.02 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1fur n GLY 301 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fur h PRO 302 N 0.00 0.00 0.00 1.61 0.13 -1.88 -3.43 132.00 128.42 1fur h PRO 302 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1fur h PRO 302 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1fur h PRO 302 CO 0.00 0.00 -1.62 0.54 -0.23 0.00 0.00 178.00 176.69 1fur n ARG 303 N -2.90 2.31 -0.88 0.86 5.12 -1.26 -4.78 116.66 115.13 1fur n ARG 303 Ca 0.03 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.88 1fur n ARG 303 Cb 0.41 -1.23 0.19 0.00 -1.16 0.00 0.00 32.46 30.67 1fur n ARG 303 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fur n GLY 305 N -1.12 4.95 0.09 0.00 0.00 -1.26 -4.90 105.19 102.94 1fur n GLY 305 Ca 0.36 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 1fur n GLY 305 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fur n ILE 306 N 0.00 1.46 -2.66 -0.61 5.41 -1.07 -4.91 119.36 116.98 1fur n ILE 306 Ca 0.00 0.12 -0.20 0.00 1.00 0.00 0.00 62.75 63.67 1fur n ILE 306 Cb 0.00 -2.30 0.01 0.00 -0.71 0.00 0.00 39.64 36.64 1fur n ILE 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fur n GLY 307 N 1.52 -0.41 0.14 7.39 0.00 0.55 -4.92 105.19 109.46 1fur n GLY 307 Ca -0.16 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1fur n GLY 307 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fur h GLU 308 N -0.65 0.00 -5.13 1.61 5.08 -1.04 -3.43 114.58 111.02 1fur h GLU 308 Ca -0.47 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.49 1fur h GLU 308 Cb 1.33 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.44 1fur h GLU 308 CO 0.53 0.55 -0.65 0.96 -1.00 0.00 0.00 179.01 179.40 1fur s ILE 309 N -3.19 1.07 0.07 3.13 -4.36 -0.98 -0.34 121.20 116.61 1fur s ILE 309 Ca 0.02 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.44 1fur s ILE 309 Cb 0.09 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1fur s ILE 309 CO 0.74 -0.24 -0.18 -0.94 0.24 0.00 0.00 174.94 174.56 1fur s SER 310 N -3.35 2.21 0.13 4.36 1.04 0.95 -4.25 113.70 114.79 1fur s SER 310 Ca 0.31 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 56.20 1fur s SER 310 Cb 0.06 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1fur s SER 310 CO 0.11 0.04 -0.16 0.27 0.98 0.00 0.00 173.24 174.48 1fur s ILE 311 N -1.07 1.54 0.35 -1.02 -4.36 -1.26 -1.90 121.20 113.47 1fur s ILE 311 Ca 0.04 -1.75 -0.29 0.00 -0.26 0.00 0.00 60.65 58.40 1fur s ILE 311 Cb -0.09 -1.62 -0.11 0.00 1.25 0.00 0.00 42.46 41.88 1fur s ILE 311 CO 0.03 -0.33 1.54 -0.81 0.24 0.00 0.00 174.94 175.60 1fur n PRO 312 N 0.55 2.70 -3.08 0.37 -0.04 -1.26 -4.96 135.00 129.28 1fur n PRO 312 Ca -0.15 0.95 -0.41 0.00 -0.04 0.00 0.00 63.50 63.84 1fur n PRO 312 Cb 0.56 -2.71 -0.06 0.00 -0.04 0.00 0.00 33.50 31.26 1fur n PRO 312 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1fur s GLU 313 N -1.48 3.83 -0.07 0.54 2.12 -1.26 -4.93 118.70 117.45 1fur s GLU 313 Ca 0.57 0.27 0.19 0.00 0.36 0.00 0.00 54.97 56.36 1fur s GLU 313 Cb -0.48 -3.76 -0.29 0.00 0.26 0.00 0.00 34.13 29.86 1fur s GLU 313 CO 0.58 -0.66 0.34 0.09 -0.54 0.00 0.00 175.26 175.08 1fur n ASN 314 N 6.01 0.40 -4.58 -1.70 3.02 -1.26 -4.98 115.26 112.18 1fur n ASN 314 Ca -0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1fur n ASN 314 Cb 0.49 1.67 -0.10 0.00 -0.61 0.00 0.00 39.78 41.22 1fur n ASN 314 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fur s GLU 315 N -3.15 2.15 0.76 3.52 8.01 -1.26 -5.12 118.70 123.61 1fur s GLU 315 Ca -0.08 -1.01 -0.13 0.00 0.01 0.00 0.00 54.97 53.76 1fur s GLU 315 Cb 0.11 -2.32 0.05 0.00 -4.31 0.00 0.00 34.13 27.66 1fur s GLU 315 CO 0.82 0.51 1.15 -1.25 0.01 0.00 0.00 175.26 176.50 1fur s PRO 316 N -2.21 2.11 0.32 0.39 0.04 -1.26 -5.05 135.00 129.34 1fur s PRO 316 Ca 0.22 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1fur s PRO 316 Cb -0.11 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1fur s PRO 316 CO 0.14 -1.81 0.12 0.20 0.04 0.00 0.00 177.00 175.69 1fur s GLY 317 N -2.54 2.11 0.32 0.56 0.00 -1.26 -5.12 107.32 101.39 1fur s GLY 317 Ca 0.69 -1.73 -0.29 0.00 0.00 0.00 0.00 44.72 43.39 1fur s GLY 317 CO 0.49 -1.69 1.37 -0.56 0.00 0.00 0.00 173.10 172.71 1fur s SER 318 N -3.43 6.67 0.21 1.64 0.01 -1.26 -4.92 113.70 112.62 1fur s SER 318 Ca 0.34 2.75 -0.08 0.00 1.31 0.00 0.00 55.95 60.26 1fur s SER 318 Cb 0.06 -2.65 0.16 0.00 0.21 0.00 0.00 66.02 63.81 1fur s SER 318 CO 0.16 -0.63 1.81 -1.28 0.41 0.00 0.00 173.24 173.70 1fur h SER 319 N 3.71 1.06 0.13 2.44 0.87 -2.03 -1.88 113.55 117.86 1fur h SER 319 Ca -0.49 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1fur h SER 319 Cb 1.23 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1fur h SER 319 CO 0.68 0.90 0.00 0.00 -0.53 0.00 0.00 176.83 177.88 1fur n ILE 320 N -4.34 0.03 -2.97 2.23 3.06 -1.26 -3.97 119.36 112.13 1fur n ILE 320 Ca 0.08 0.01 -0.23 0.00 -2.50 0.00 0.00 62.75 60.10 1fur n ILE 320 Cb 0.14 -0.55 -0.03 0.00 0.54 0.00 0.00 39.64 39.74 1fur n ILE 320 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 1fur n MET 321 N -1.07 2.35 -2.30 9.51 2.81 -0.71 -5.07 117.12 122.64 1fur n MET 321 Ca 0.19 -4.23 -0.43 0.00 -1.81 0.00 0.00 57.70 51.43 1fur n MET 321 Cb 0.13 -2.00 -0.02 0.00 -0.71 0.00 0.00 33.22 30.62 1fur n MET 321 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1fur s PRO 322 N -3.10 4.25 0.00 0.03 0.04 -1.25 -3.31 135.00 131.67 1fur s PRO 322 Ca 0.45 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1fur s PRO 322 Cb 0.32 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1fur s PRO 322 CO -0.11 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1fur n GLY 323 N 3.70 2.30 3.55 0.56 0.00 -1.26 -5.06 105.19 108.97 1fur n GLY 323 Ca 0.14 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1fur n GLY 323 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fur s LYS 324 N 0.00 2.88 -0.38 1.61 2.20 -1.21 -4.29 119.74 120.55 1fur s LYS 324 Ca 0.00 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1fur s LYS 324 Cb 0.00 -4.31 0.10 0.00 -1.51 0.00 0.00 37.83 32.11 1fur s LYS 324 CO 0.00 -2.48 0.14 0.08 -0.36 0.00 0.00 175.35 172.73 1fur s VAL 325 N 7.60 3.12 0.15 4.02 1.01 -1.26 -4.95 120.40 130.09 1fur s VAL 325 Ca 0.53 -1.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 1fur s VAL 325 Cb -0.10 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.12 1fur s VAL 325 CO 0.18 -0.56 1.23 0.20 0.00 0.00 0.00 175.10 176.15 1fur s ASN 326 N 1.59 7.03 -1.46 3.32 0.01 -1.26 -4.90 114.94 119.27 1fur s ASN 326 Ca 0.06 2.21 -0.11 0.00 -0.71 0.00 0.00 52.86 54.31 1fur s ASN 326 Cb -0.22 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 38.79 1fur s ASN 326 CO -0.04 -0.44 2.65 -0.81 -1.51 0.00 0.00 177.10 176.95 1fur n PRO 327 N 2.99 3.21 -0.36 -0.60 -0.04 -1.26 -4.76 135.00 134.18 1fur n PRO 327 Ca 0.06 -2.17 0.03 0.00 -0.04 0.00 0.00 63.50 61.39 1fur n PRO 327 Cb 0.45 -2.86 0.19 0.00 -0.04 0.00 0.00 33.50 31.23 1fur n PRO 327 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1fur h THR 328 N 3.34 1.06 -0.61 0.52 1.35 -1.96 -0.80 112.91 115.81 1fur h THR 328 Ca 0.74 -0.39 -0.04 0.00 -0.55 0.00 0.00 66.41 66.17 1fur h THR 328 Cb 0.36 -0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 1fur h THR 328 CO 1.77 0.21 0.20 1.56 -0.25 0.00 0.00 175.52 179.01 1fur h GLN 329 N 1.14 0.91 -0.47 4.72 1.08 -1.93 0.15 115.11 120.71 1fur h GLN 329 Ca 0.44 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.37 1fur h GLN 329 Cb 0.22 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1fur h GLN 329 CO -0.18 0.77 -0.12 0.00 -0.95 0.00 0.00 178.83 178.35 1fur h GLU 331 N 0.78 1.04 -0.45 0.00 5.08 -0.57 -0.87 114.58 119.60 1fur h GLU 331 Ca 0.13 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 58.03 1fur h GLU 331 Cb 0.63 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1fur h GLU 331 CO 0.04 1.03 -0.21 0.00 -1.00 0.00 0.00 179.01 178.87 1fur h ALA 332 N 1.02 0.78 -0.30 3.43 0.00 -0.75 -2.51 119.26 120.93 1fur h ALA 332 Ca 0.17 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1fur h ALA 332 Cb 0.57 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1fur h ALA 332 CO 0.03 0.66 -0.10 1.25 0.00 0.00 0.00 179.25 181.09 1fur h LEU 333 N 0.79 0.61 -1.05 0.00 5.85 -0.88 -2.38 115.31 118.25 1fur h LEU 333 Ca 0.11 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1fur h LEU 333 Cb 0.76 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1fur h LEU 333 CO 0.06 0.85 -0.26 0.71 -0.34 0.00 0.00 178.44 179.46 1fur h THR 334 N 0.36 1.26 -0.38 1.05 1.35 -1.17 -2.02 112.91 113.36 1fur h THR 334 Ca 0.07 -1.22 -0.05 0.00 -0.55 0.00 0.00 66.41 64.66 1fur h THR 334 Cb 0.60 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1fur h THR 334 CO 0.03 0.38 0.05 0.24 -0.25 0.00 0.00 175.52 175.97 1fur h MET 335 N 0.32 0.64 0.00 4.72 2.86 -1.34 -2.39 114.93 119.73 1fur h MET 335 Ca 0.05 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1fur h MET 335 Cb 0.64 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1fur h MET 335 CO 0.05 0.71 -0.36 1.37 1.06 0.00 0.00 176.91 179.73 1fur h LEU 336 N 0.48 0.00 -0.64 1.22 8.10 -1.28 -2.64 115.31 120.55 1fur h LEU 336 Ca 0.11 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.99 1fur h LEU 336 Cb 0.38 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.59 1fur h LEU 336 CO 0.01 0.36 -0.14 0.00 -4.11 0.00 0.00 178.44 174.56 1fur h GLN 339 N 0.90 0.41 -0.85 0.00 5.75 -1.03 -1.99 115.11 118.29 1fur h GLN 339 Ca 0.20 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 1fur h GLN 339 Cb 0.28 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 1fur h GLN 339 CO -0.01 0.35 0.56 0.28 -2.65 0.00 0.00 178.83 177.36 1fur h VAL 340 N 0.36 1.14 -0.50 2.39 2.07 -1.01 0.13 116.25 120.83 1fur h VAL 340 Ca 0.10 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1fur h VAL 340 Cb 0.06 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1fur h VAL 340 CO -0.02 0.19 0.21 0.24 0.02 0.00 0.00 177.57 178.21 1fur h MET 341 N 1.07 0.74 -0.48 1.57 2.86 -1.13 -0.94 114.93 118.62 1fur h MET 341 Ca 0.34 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 1fur h MET 341 Cb 0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1fur h MET 341 CO -0.10 0.66 -0.11 0.78 1.06 0.00 0.00 176.91 179.19 1fur h GLY 342 N 0.67 1.00 1.21 8.32 0.00 -0.71 -2.92 103.07 110.64 1fur h GLY 342 Ca 0.17 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.72 1fur h GLY 342 CO -0.01 0.75 0.43 3.43 0.00 0.00 0.00 176.54 181.14 1fur h ASN 343 N 0.77 0.65 -0.80 0.19 4.21 -0.40 -1.99 115.58 118.21 1fur h ASN 343 Ca 0.12 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.60 1fur h ASN 343 Cb 0.67 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.68 1fur h ASN 343 CO 0.05 0.45 0.41 -0.78 -1.29 0.00 0.00 177.43 176.26 1fur h ASP 344 N 0.76 1.03 -0.43 5.81 3.58 -0.98 -1.91 116.42 124.27 1fur h ASP 344 Ca 0.27 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1fur h ASP 344 Cb 0.12 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1fur h ASP 344 CO -0.08 0.86 0.18 0.58 -2.88 0.00 0.00 179.24 177.90 1fur h VAL 345 N 1.12 1.19 -0.78 2.25 2.07 -1.33 0.09 116.25 120.87 1fur h VAL 345 Ca 0.28 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1fur h VAL 345 Cb 0.08 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1fur h VAL 345 CO -0.04 0.22 0.44 0.00 0.02 0.00 0.00 177.57 178.21 1fur h ALA 346 N 1.03 1.00 -0.52 1.67 0.00 -1.29 -1.17 119.26 119.98 1fur h ALA 346 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1fur h ALA 346 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1fur h ALA 346 CO -0.01 0.50 -0.08 0.82 0.00 0.00 0.00 179.25 180.48 1fur h ILE 347 N 1.08 1.27 -0.38 0.00 2.04 -1.11 -1.95 117.51 118.46 1fur h ILE 347 Ca 0.28 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1fur h ILE 347 Cb 0.01 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1fur h ILE 347 CO -0.05 0.43 0.18 0.78 0.00 0.00 0.00 178.15 179.49 1fur h ASN 348 N 0.83 0.49 -0.55 1.72 2.35 -0.62 0.37 115.58 120.18 1fur h ASN 348 Ca 0.14 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1fur h ASN 348 Cb 0.63 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1fur h ASN 348 CO 0.04 0.48 0.22 0.24 -1.65 0.00 0.00 177.43 176.76 1fur h MET 349 N 0.47 0.83 -0.46 0.81 2.86 -1.14 0.02 114.93 118.32 1fur h MET 349 Ca 0.13 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1fur h MET 349 Cb 0.12 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1fur h MET 349 CO -0.02 0.72 -0.20 0.78 1.06 0.00 0.00 176.91 179.25 1fur h GLY 350 N 0.75 1.03 1.93 8.32 0.00 -1.14 -2.83 103.07 111.13 1fur h GLY 350 Ca 0.18 -0.91 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1fur h GLY 350 CO -0.01 0.83 -0.28 -1.33 0.00 0.00 0.00 176.54 175.75 1fur h GLY 351 N 0.79 0.09 1.65 4.60 0.00 0.01 -2.22 103.07 108.00 1fur h GLY 351 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1fur h GLY 351 CO 0.06 0.06 -0.11 0.00 0.00 0.00 0.00 176.54 176.56 1fur n ALA 352 N -2.48 2.63 -0.84 3.60 0.00 -0.03 -4.25 120.51 119.15 1fur n ALA 352 Ca -0.02 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.32 1fur n ALA 352 Cb 0.35 -1.39 0.39 0.00 0.00 0.00 0.00 19.45 18.80 1fur n ALA 352 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fur n SER 353 N -1.42 5.57 -4.78 0.00 7.64 -0.83 -4.99 113.62 114.81 1fur n SER 353 Ca 0.08 -2.91 -0.33 0.00 1.01 0.00 0.00 58.87 56.72 1fur n SER 353 Cb 0.32 -0.68 0.03 0.00 -1.01 0.00 0.00 64.21 62.87 1fur n SER 353 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1fur s GLY 354 N -0.75 2.17 -0.06 0.23 0.00 -1.26 -4.77 107.32 102.88 1fur s GLY 354 Ca 0.53 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.76 1fur s GLY 354 CO 0.15 0.84 -0.07 -1.31 0.00 0.00 0.00 173.10 172.71 1fur s ASN 355 N -2.61 1.44 1.19 1.64 -0.87 -1.15 -4.98 114.94 109.59 1fur s ASN 355 Ca 0.66 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.74 1fur s ASN 355 Cb -0.19 -0.63 0.00 0.00 -0.02 0.00 0.00 41.25 40.41 1fur s ASN 355 CO 0.39 -0.04 0.00 0.49 -2.57 0.00 0.00 177.10 175.37 1fur n PHE 356 N 4.15 0.00 0.99 2.20 3.72 -1.26 -2.34 117.46 124.92 1fur n PHE 356 Ca -0.21 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1fur n PHE 356 Cb 0.51 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.63 1fur n PHE 356 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1fur n GLU 357 N 14.00 0.10 -3.73 -1.08 4.71 -1.26 -4.72 120.64 128.65 1fur n GLU 357 Ca 0.00 0.05 -0.13 0.00 -0.01 0.00 0.00 57.16 57.07 1fur n GLU 357 Cb 0.00 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.83 1fur n GLU 357 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1fur s LEU 358 N -2.89 0.43 -0.22 -4.62 2.96 -0.99 -3.34 118.68 110.01 1fur s LEU 358 Ca 0.16 0.79 -0.17 0.00 -0.22 0.00 0.00 54.13 54.69 1fur s LEU 358 Cb 0.17 1.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.14 1fur s LEU 358 CO 0.46 -0.14 0.44 0.21 -1.32 0.00 0.00 176.35 175.99 1fur s ASN 359 N 0.41 6.43 -0.52 3.68 3.84 -0.99 -2.93 114.94 124.86 1fur s ASN 359 Ca -0.02 0.51 0.03 0.00 0.21 0.00 0.00 52.86 53.59 1fur s ASN 359 Cb -0.04 -2.25 0.42 0.00 -0.55 0.00 0.00 41.25 38.83 1fur s ASN 359 CO -0.02 -0.15 1.46 1.33 -2.79 0.00 0.00 177.10 176.93 1fur n VAL 360 N 4.64 2.85 -0.82 -5.21 0.24 -1.26 -4.45 118.33 114.32 1fur n VAL 360 Ca -0.07 -4.33 0.04 0.00 -2.04 0.00 0.00 64.34 57.94 1fur n VAL 360 Cb 0.51 -1.21 0.05 0.00 -1.47 0.00 0.00 33.84 31.72 1fur n VAL 360 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fur n PHE 361 N -0.61 0.00 -0.03 6.34 3.01 -1.21 -4.23 117.46 120.72 1fur n PHE 361 Ca 0.47 -0.56 -0.08 0.00 1.01 0.00 0.00 57.45 58.29 1fur n PHE 361 Cb 0.65 -0.08 -0.02 0.00 -0.01 0.00 0.00 39.48 40.02 1fur n PHE 361 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1fur h ARG 362 N 0.00 -0.13 -0.96 -1.08 3.08 -1.71 -2.33 114.38 111.24 1fur h ARG 362 Ca 0.00 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.16 1fur h ARG 362 Cb 0.88 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.89 1fur h ARG 362 CO 0.00 -0.09 0.60 -1.35 -1.07 0.00 0.00 179.97 178.06 1fur h PRO 363 N -0.14 0.97 -0.41 0.04 0.11 -1.86 -0.84 132.00 129.88 1fur h PRO 363 Ca 0.11 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 1fur h PRO 363 Cb 0.30 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1fur h PRO 363 CO -0.27 0.64 -0.03 1.98 -0.21 0.00 0.00 178.00 180.11 1fur h MET 364 N 1.00 0.74 0.14 1.05 1.85 -1.76 -0.64 114.93 117.32 1fur h MET 364 Ca 0.45 -0.25 -0.01 0.00 -0.61 0.00 0.00 59.70 59.28 1fur h MET 364 Cb 0.35 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.33 1fur h MET 364 CO -0.23 0.84 -0.07 0.28 -0.40 0.00 0.00 176.91 177.33 1fur h VAL 365 N 0.56 0.88 -0.22 -5.77 2.07 -0.86 -1.83 116.25 111.08 1fur h VAL 365 Ca 0.11 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1fur h VAL 365 Cb 0.52 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1fur h VAL 365 CO 0.03 0.02 -0.22 -0.29 0.02 0.00 0.00 177.57 177.13 1fur h ILE 366 N -0.23 1.25 -0.15 4.57 6.09 -1.17 -0.93 117.51 126.94 1fur h ILE 366 Ca -0.02 -1.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.31 1fur h ILE 366 Cb 0.18 1.32 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 1fur h ILE 366 CO 0.03 0.37 0.10 -0.74 -3.07 0.00 0.00 178.15 174.84 1fur h HIS 367 N 0.37 0.19 -0.33 2.19 2.76 -0.83 -1.27 115.15 118.23 1fur h HIS 367 Ca 0.06 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1fur h HIS 367 Cb 0.59 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 1fur h HIS 367 CO 0.02 0.12 -0.06 -0.91 -1.30 0.00 0.00 177.93 175.79 1fur h ASN 368 N 0.20 0.63 0.03 3.26 4.21 -1.10 -2.56 115.58 120.25 1fur h ASN 368 Ca 0.06 -0.35 -0.00 0.00 1.21 0.00 0.00 56.30 57.21 1fur h ASN 368 Cb -0.02 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1fur h ASN 368 CO -0.01 0.84 -0.01 0.15 -1.29 0.00 0.00 177.43 177.10 1fur h PHE 369 N 0.42 -0.04 -0.33 1.19 3.04 -1.05 -1.07 116.94 119.11 1fur h PHE 369 Ca 0.09 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 1fur h PHE 369 Cb 0.55 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 1fur h PHE 369 CO 0.05 -0.01 -0.09 -0.07 -2.02 0.00 0.00 178.31 176.17 1fur h LEU 370 N -0.05 0.53 -0.52 0.59 3.38 -1.30 -2.03 115.31 115.91 1fur h LEU 370 Ca -0.00 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1fur h LEU 370 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1fur h LEU 370 CO 0.01 0.66 0.08 -0.61 0.09 0.00 0.00 178.44 178.66 1fur h GLN 371 N 0.51 0.86 -0.70 1.13 4.15 -1.19 -0.80 115.11 119.08 1fur h GLN 371 Ca 0.10 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1fur h GLN 371 Cb 0.46 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1fur h GLN 371 CO 0.02 0.85 0.32 0.77 -1.93 0.00 0.00 178.83 178.87 1fur h SER 372 N 0.74 0.92 -0.43 -0.69 0.02 -0.86 0.17 113.55 113.42 1fur h SER 372 Ca 0.16 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1fur h SER 372 Cb 0.41 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1fur h SER 372 CO 0.01 0.80 0.22 0.58 -1.14 0.00 0.00 176.83 177.30 1fur h VAL 373 N 0.97 1.17 -0.22 2.27 2.07 -1.14 -0.80 116.25 120.59 1fur h VAL 373 Ca 0.24 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1fur h VAL 373 Cb 0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1fur h VAL 373 CO -0.03 0.19 0.12 -0.09 0.02 0.00 0.00 177.57 177.77 1fur h ARG 374 N 0.56 0.24 -0.36 1.57 2.43 -0.71 0.16 114.38 118.27 1fur h ARG 374 Ca 0.15 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1fur h ARG 374 Cb 0.10 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1fur h ARG 374 CO -0.02 0.16 0.19 -0.07 -1.51 0.00 0.00 179.97 178.71 1fur h LEU 375 N 0.25 0.46 -0.38 3.80 3.38 -0.44 -1.49 115.31 120.88 1fur h LEU 375 Ca 0.09 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1fur h LEU 375 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1fur h LEU 375 CO -0.05 0.43 -0.37 -0.07 0.09 0.00 0.00 178.44 178.47 1fur h LEU 376 N 0.45 0.98 0.04 1.67 3.38 -0.97 0.75 115.31 121.59 1fur h LEU 376 Ca 0.12 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1fur h LEU 376 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1fur h LEU 376 CO -0.02 1.24 -0.02 0.00 0.09 0.00 0.00 178.44 179.74 1fur h ALA 377 N 0.77 -0.05 -0.23 1.53 0.00 -0.93 -1.24 119.26 119.12 1fur h ALA 377 Ca 0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1fur h ALA 377 Cb 0.96 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1fur h ALA 377 CO 0.09 -0.33 -0.41 -0.44 0.00 0.00 0.00 179.25 178.16 1fur h ASP 378 N -0.44 0.57 -0.41 0.00 3.32 -1.35 -2.25 116.42 115.87 1fur h ASP 378 Ca -0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1fur h ASP 378 Cb 0.41 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1fur h ASP 378 CO 0.01 0.92 0.16 1.23 -1.72 0.00 0.00 179.24 179.83 1fur h GLY 379 N 1.07 0.66 1.20 2.75 0.00 -0.84 -0.26 103.07 107.66 1fur h GLY 379 Ca 0.04 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1fur h GLY 379 CO 0.08 0.35 -0.13 -0.33 0.00 0.00 0.00 176.54 176.51 1fur h MET 380 N 0.52 0.93 0.20 4.80 2.86 -1.15 -1.16 114.93 121.94 1fur h MET 380 Ca 0.14 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1fur h MET 380 Cb 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1fur h MET 380 CO -0.01 1.00 -0.10 1.49 1.06 0.00 0.00 176.91 180.35 1fur h GLU 381 N 0.83 -0.26 -0.41 1.72 4.22 -1.21 0.34 114.58 119.80 1fur h GLU 381 Ca 0.13 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.59 1fur h GLU 381 Cb 0.67 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1fur h GLU 381 CO 0.05 -0.16 0.26 1.03 -2.18 0.00 0.00 179.01 178.00 1fur h SER 382 N -0.29 0.48 -0.78 1.04 0.87 -1.00 -1.51 113.55 112.36 1fur h SER 382 Ca -0.03 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 1fur h SER 382 Cb 0.22 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.03 1fur h SER 382 CO 0.05 0.37 0.34 0.15 -0.53 0.00 0.00 176.83 177.21 1fur h PHE 383 N 0.55 1.16 0.76 2.24 3.57 -1.08 -0.49 116.94 123.65 1fur h PHE 383 Ca 0.15 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1fur h PHE 383 Cb -0.03 -0.35 0.01 0.00 2.79 0.00 0.00 35.95 38.36 1fur h PHE 383 CO -0.04 0.87 -0.36 -0.97 -2.23 0.00 0.00 178.31 175.57 1fur h ASN 384 N 1.12 -0.86 -0.79 0.41 -0.73 -0.71 0.68 115.58 114.71 1fur h ASN 384 Ca 0.27 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.43 1fur h ASN 384 Cb 0.17 0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.95 1fur h ASN 384 CO -0.03 -0.55 0.34 0.50 -0.37 0.00 0.00 177.43 177.32 1fur h LYS 385 N -1.14 1.16 -0.40 6.67 3.64 -1.27 -1.91 116.57 123.32 1fur h LYS 385 Ca -0.10 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1fur h LYS 385 Cb 0.78 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1fur h LYS 385 CO 0.17 0.92 0.00 0.72 -2.27 0.00 0.00 179.45 178.99 1fur n HIS 386 N -4.32 0.51 0.07 1.91 8.25 -0.20 -4.73 115.22 116.72 1fur n HIS 386 Ca 0.07 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1fur n HIS 386 Cb 0.16 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1fur n HIS 386 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1fur h ALA 388 N 0.00 0.56 0.00 0.00 0.00 -0.78 -0.18 119.26 118.85 1fur h ALA 388 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1fur h ALA 388 Cb 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fur h ALA 388 CO 0.00 -0.38 -0.02 -0.39 0.00 0.00 0.00 179.25 178.45 1fur h VAL 389 N 0.13 0.40 -0.49 0.00 -1.51 -1.59 -2.81 116.25 110.37 1fur h VAL 389 Ca 0.29 -0.13 0.00 0.00 -1.23 0.00 0.00 66.70 65.63 1fur h VAL 389 Cb 0.45 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 1fur h VAL 389 CO -0.47 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 176.51 1fur n GLY 390 N -1.09 3.15 3.70 5.19 0.00 -0.09 -4.98 105.19 111.07 1fur n GLY 390 Ca -0.03 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1fur n GLY 390 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fur s ILE 391 N -2.19 3.65 0.01 -0.61 1.01 -1.07 -4.15 121.20 117.85 1fur s ILE 391 Ca 0.46 1.13 0.01 0.00 0.00 0.00 0.00 60.65 62.26 1fur s ILE 391 Cb 0.32 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1fur s ILE 391 CO 0.18 0.05 -0.05 -1.61 0.00 0.00 0.00 174.94 173.51 1fur s GLU 392 N 1.62 0.38 0.40 2.79 0.41 -0.80 -4.99 118.70 118.52 1fur s GLU 392 Ca 0.63 -0.30 -0.22 0.00 -0.41 0.00 0.00 54.97 54.67 1fur s GLU 392 Cb -0.33 -0.31 -0.11 0.00 -1.78 0.00 0.00 34.13 31.61 1fur s GLU 392 CO 0.28 0.08 0.94 -1.25 -0.49 0.00 0.00 175.26 174.82 1fur s PRO 393 N -0.46 4.32 -1.06 0.39 0.04 -1.26 -0.04 135.00 136.92 1fur s PRO 393 Ca -0.02 1.16 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1fur s PRO 393 Cb -0.04 -2.35 0.28 0.00 0.04 0.00 0.00 34.50 32.44 1fur s PRO 393 CO -0.00 0.05 1.21 0.09 0.04 0.00 0.00 177.00 178.40 1fur n ASN 394 N -0.32 5.68 -0.33 6.66 3.02 0.54 -4.81 115.26 125.69 1fur n ASN 394 Ca 0.06 -3.21 0.17 0.00 -0.03 0.00 0.00 54.58 51.57 1fur n ASN 394 Cb 0.53 -1.28 0.34 0.00 -0.61 0.00 0.00 39.78 38.76 1fur n ASN 394 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1fur h ARG 395 N 6.01 0.03 -0.03 3.52 3.08 -1.94 -0.14 114.38 124.91 1fur h ARG 395 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1fur h ARG 395 Cb 0.76 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1fur h ARG 395 CO 1.12 0.02 0.01 0.93 -1.07 0.00 0.00 179.97 180.98 1fur h GLU 396 N 0.03 0.03 -0.35 0.04 5.08 -1.96 -1.41 114.58 116.04 1fur h GLU 396 Ca 0.63 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 59.00 1fur h GLU 396 Cb 1.39 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 1fur h GLU 396 CO -0.87 0.02 0.23 -0.09 -1.00 0.00 0.00 179.01 177.30 1fur h ARG 397 N 0.03 0.46 -0.58 2.33 1.12 -1.40 0.17 114.38 116.50 1fur h ARG 397 Ca 0.01 -0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.91 1fur h ARG 397 Cb 0.01 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 29.81 1fur h ARG 397 CO -0.01 0.30 0.29 0.82 -3.11 0.00 0.00 179.97 178.26 1fur h ILE 398 N 0.47 0.93 -0.27 1.20 2.04 -1.05 -0.67 117.51 120.16 1fur h ILE 398 Ca 0.13 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.63 1fur h ILE 398 Cb -0.05 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1fur h ILE 398 CO -0.03 0.10 -0.51 0.78 0.00 0.00 0.00 178.15 178.49 1fur h ASN 399 N 0.55 0.83 -0.18 1.72 -0.26 -0.87 -1.27 115.58 116.09 1fur h ASN 399 Ca 0.27 -0.43 0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1fur h ASN 399 Cb 0.20 -0.24 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 1fur h ASN 399 CO -0.19 1.19 0.00 -0.61 -1.06 0.00 0.00 177.43 176.76 1fur h GLN 400 N 0.59 0.06 -0.39 0.81 4.15 -0.54 -0.11 115.11 119.67 1fur h GLN 400 Ca 0.02 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1fur h GLN 400 Cb 1.08 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.74 1fur h GLN 400 CO 0.11 0.04 0.19 -0.07 -1.93 0.00 0.00 178.83 177.17 1fur h LEU 401 N 0.07 0.51 -0.44 -2.39 3.38 -1.04 -0.86 115.31 114.54 1fur h LEU 401 Ca 0.09 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1fur h LEU 401 Cb 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1fur h LEU 401 CO -0.14 0.50 0.14 0.25 0.09 0.00 0.00 178.44 179.27 1fur h LEU 402 N 0.49 0.12 -0.09 1.67 6.46 -0.79 -1.33 115.31 121.84 1fur h LEU 402 Ca 0.13 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1fur h LEU 402 Cb 0.12 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1fur h LEU 402 CO -0.02 0.10 -0.06 0.59 -0.62 0.00 0.00 178.44 178.43 1fur n ASN 403 N -5.03 0.20 0.05 1.25 3.02 -0.09 -3.24 115.26 111.41 1fur n ASN 403 Ca 0.04 -0.28 0.11 0.00 -0.03 0.00 0.00 54.58 54.42 1fur n ASN 403 Cb 0.18 -0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 1fur n ASN 403 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1fur n GLU 404 N -1.18 0.62 -2.15 3.52 2.13 -0.34 -4.66 120.64 118.58 1fur n GLU 404 Ca 0.14 -0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.62 1fur n GLU 404 Cb 0.26 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1fur n GLU 404 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1fur s SER 405 N -4.91 6.28 0.00 4.31 1.04 -0.72 -4.87 113.70 114.83 1fur s SER 405 Ca -0.04 1.30 0.25 0.00 0.48 0.00 0.00 55.95 57.94 1fur s SER 405 Cb 0.12 -2.41 0.43 0.00 0.10 0.00 0.00 66.02 64.25 1fur s SER 405 CO 0.85 -0.75 1.36 0.18 0.98 0.00 0.00 173.24 175.86 1fur n LEU 406 N -2.46 1.54 0.31 2.42 7.99 -1.26 -4.40 117.00 121.13 1fur n LEU 406 Ca 0.05 -0.51 0.18 0.00 -0.01 0.00 0.00 56.01 55.71 1fur n LEU 406 Cb 0.54 -0.06 1.02 0.00 -0.11 0.00 0.00 43.42 44.81 1fur n LEU 406 CO 0.55 0.28 1.15 0.24 -1.51 0.00 0.00 177.39 178.11 1fur h MET 407 N 1.90 0.00 0.00 3.23 2.86 -1.92 -2.37 114.93 118.63 1fur h MET 407 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1fur h MET 407 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1fur h MET 407 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1fur n LEU 408 N -3.57 0.17 0.26 1.22 4.77 -1.26 -3.61 117.00 114.98 1fur n LEU 408 Ca -0.03 0.52 0.18 0.00 -0.03 0.00 0.00 56.01 56.65 1fur n LEU 408 Cb 0.10 -0.48 0.85 0.00 -2.33 0.00 0.00 43.42 41.56 1fur n LEU 408 CO 0.25 -0.13 1.15 1.62 -1.33 0.00 0.00 177.39 178.94 1fur h VAL 409 N 0.00 0.17 -0.82 4.08 3.04 -1.76 -1.59 116.25 119.37 1fur h VAL 409 Ca 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.76 1fur h VAL 409 Cb 0.46 0.73 -0.06 0.00 -2.01 0.00 0.00 31.29 30.41 1fur h VAL 409 CO 0.00 0.00 0.49 0.71 -1.01 0.00 0.00 177.57 177.76 1fur h THR 410 N 0.00 0.99 -0.16 3.17 1.35 -1.82 -1.53 112.91 114.91 1fur h THR 410 Ca 0.06 -0.30 0.01 0.00 -0.55 0.00 0.00 66.41 65.63 1fur h THR 410 Cb 0.66 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.11 1fur h THR 410 CO -0.00 0.16 0.11 0.00 -0.25 0.00 0.00 175.52 175.54 1fur h ALA 411 N 1.41 1.96 0.00 6.62 0.00 -1.59 -1.25 119.26 126.41 1fur h ALA 411 Ca 0.37 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1fur h ALA 411 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1fur h ALA 411 CO -0.19 0.02 -0.48 -0.07 0.00 0.00 0.00 179.25 178.53 1fur h LEU 412 N 0.16 0.00 -1.17 0.00 3.38 -1.42 -3.11 115.31 113.14 1fur h LEU 412 Ca 0.06 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1fur h LEU 412 Cb 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1fur h LEU 412 CO -0.01 0.48 0.59 0.78 0.09 0.00 0.00 178.44 180.36 1fur h ASN 413 N 0.00 0.84 0.30 -0.43 -0.26 -1.15 0.28 115.58 115.16 1fur h ASN 413 Ca -0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1fur h ASN 413 Cb 0.91 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.02 1fur h ASN 413 CO 0.06 0.50 0.00 0.41 -1.06 0.00 0.00 177.43 177.34 1fur n THR 414 N -4.53 0.72 -0.44 2.81 -1.04 -1.18 -2.37 114.28 108.25 1fur n THR 414 Ca 0.15 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 1fur n THR 414 Cb 0.29 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1fur n THR 414 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1fur n HIS 415 N -1.33 0.00 -3.59 -1.42 8.25 0.67 -5.06 115.22 112.73 1fur n HIS 415 Ca 0.06 -0.09 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1fur n HIS 415 Cb 0.12 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.16 1fur n HIS 415 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1fur s ILE 416 N -0.18 0.00 0.23 1.59 1.10 0.47 -5.08 121.20 119.32 1fur s ILE 416 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.83 1fur s ILE 416 Cb 0.00 -1.00 -0.15 0.00 0.15 0.00 0.00 42.46 41.46 1fur s ILE 416 CO 0.00 0.00 1.17 0.61 -2.11 0.00 0.00 174.94 174.61 1fur n GLY 417 N 1.39 0.12 0.25 1.50 0.00 -1.26 -4.00 105.19 103.20 1fur n GLY 417 Ca -0.12 0.46 -0.04 0.00 0.00 0.00 0.00 46.02 46.31 1fur n GLY 417 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fur n TYR 418 N 1.16 -0.14 -0.15 1.61 4.19 -1.26 -0.03 117.16 122.54 1fur n TYR 418 Ca 0.12 0.78 -0.01 0.00 3.31 0.00 0.00 57.90 62.11 1fur n TYR 418 Cb 0.29 -0.63 0.24 0.00 0.49 0.00 0.00 39.34 39.72 1fur n TYR 418 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 1fur h ASP 419 N 0.00 0.77 -0.24 2.98 2.03 -1.97 0.73 116.42 120.72 1fur h ASP 419 Ca 0.15 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 56.30 1fur h ASP 419 Cb 0.31 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1fur h ASP 419 CO -0.61 0.66 -0.16 0.11 -1.03 0.00 0.00 179.24 178.21 1fur h LYS 420 N 0.85 0.53 -0.46 4.15 1.79 -0.79 0.36 116.57 123.01 1fur h LYS 420 Ca 0.21 -0.25 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1fur h LYS 420 Cb 0.10 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1fur h LYS 420 CO -0.03 0.82 0.17 0.00 -1.08 0.00 0.00 179.45 179.34 1fur h ALA 421 N 0.70 0.60 -0.18 3.86 0.00 -1.11 -1.40 119.26 121.72 1fur h ALA 421 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fur h ALA 421 Cb 0.69 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1fur h ALA 421 CO 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 1fur h ALA 422 N 1.02 1.64 -0.15 0.00 0.00 -0.70 -2.54 119.26 118.52 1fur h ALA 422 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1fur h ALA 422 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fur h ALA 422 CO -0.01 0.27 0.10 1.49 0.00 0.00 0.00 179.25 181.10 1fur h GLU 423 N 0.26 0.20 -0.05 0.00 4.81 0.82 0.09 114.58 120.71 1fur h GLU 423 Ca 0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1fur h GLU 423 Cb 0.21 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1fur h GLU 423 CO 0.01 0.15 -0.34 -0.84 -0.73 0.00 0.00 179.01 177.25 1fur h ILE 424 N 0.19 1.26 -0.56 2.32 3.07 -1.16 -2.33 117.51 120.30 1fur h ILE 424 Ca 0.06 -1.26 -0.09 0.00 1.55 0.00 0.00 64.86 65.12 1fur h ILE 424 Cb -0.00 1.61 -0.02 0.00 -0.27 0.00 0.00 36.82 38.13 1fur h ILE 424 CO -0.01 0.37 0.01 0.00 -1.05 0.00 0.00 178.15 177.47 1fur h ALA 425 N 1.56 0.95 -0.33 0.16 0.00 -0.99 -0.40 119.26 120.21 1fur h ALA 425 Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1fur h ALA 425 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1fur h ALA 425 CO 0.05 0.63 0.10 0.87 0.00 0.00 0.00 179.25 180.90 1fur h LYS 426 N 0.89 0.52 -0.30 0.00 1.57 -0.51 -1.03 116.57 117.71 1fur h LYS 426 Ca 0.17 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1fur h LYS 426 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1fur h LYS 426 CO 0.02 0.56 0.06 -0.22 -0.57 0.00 0.00 179.45 179.30 1fur h LYS 427 N 0.38 0.49 -0.10 3.15 3.64 -1.21 0.20 116.57 123.11 1fur h LYS 427 Ca 0.11 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1fur h LYS 427 Cb 0.26 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1fur h LYS 427 CO -0.00 0.58 -0.10 0.00 -2.27 0.00 0.00 179.45 177.66 1fur h ALA 428 N 0.89 -0.02 -0.43 5.00 0.00 -1.01 0.36 119.26 124.06 1fur h ALA 428 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1fur h ALA 428 Cb 0.32 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1fur h ALA 428 CO 0.00 -0.56 0.27 1.25 0.00 0.00 0.00 179.25 180.22 1fur h HIS 429 N -0.12 0.54 -0.16 0.00 -0.00 -1.04 0.61 115.15 114.99 1fur h HIS 429 Ca 0.07 0.01 -0.21 0.00 -0.00 0.00 0.00 60.37 60.24 1fur h HIS 429 Cb 0.22 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 1fur h HIS 429 CO -0.21 0.36 -0.72 -0.22 -0.00 0.00 0.00 177.93 177.14 1fur h LYS 430 N 0.57 0.71 0.00 5.26 1.63 -0.32 -3.25 116.57 121.17 1fur h LYS 430 Ca 0.15 -0.55 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1fur h LYS 430 Cb -0.04 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1fur h LYS 430 CO -0.03 1.16 -0.57 0.93 -3.45 0.00 0.00 179.45 177.49 1fur h GLU 431 N 0.50 0.00 0.00 1.90 3.07 -0.19 -3.48 114.58 116.38 1fur h GLU 431 Ca -0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1fur h GLU 431 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1fur h GLU 431 CO 0.14 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.16 1fur n GLY 432 N 1.30 0.49 3.96 -3.84 0.00 0.18 -5.04 105.19 102.24 1fur n GLY 432 Ca 0.03 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 1fur n GLY 432 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fur s LEU 433 N 0.00 3.53 0.58 0.99 1.02 0.64 -4.99 118.68 120.44 1fur s LEU 433 Ca 0.00 0.17 -0.06 0.00 0.02 0.00 0.00 54.13 54.26 1fur s LEU 433 Cb 0.00 -3.05 -0.00 0.00 0.02 0.00 0.00 46.19 43.16 1fur s LEU 433 CO 0.00 -0.84 0.89 0.42 0.02 0.00 0.00 176.35 176.84 1fur s THR 434 N -2.61 3.91 0.23 5.49 -4.23 -1.26 -4.37 115.64 112.80 1fur s THR 434 Ca 0.51 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1fur s THR 434 Cb -0.10 -3.54 0.19 0.00 1.34 0.00 0.00 72.50 70.39 1fur s THR 434 CO 0.38 -0.57 1.73 -0.07 -0.54 0.00 0.00 174.62 175.55 1fur h LEU 435 N -0.13 0.22 -0.01 4.79 3.38 -1.83 -0.46 115.31 121.27 1fur h LEU 435 Ca -0.46 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1fur h LEU 435 Cb 1.24 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1fur h LEU 435 CO 0.61 0.10 -0.00 0.50 0.09 0.00 0.00 178.44 179.74 1fur h LYS 436 N 0.41 0.01 -0.38 1.13 3.64 -1.93 0.72 116.57 120.17 1fur h LYS 436 Ca 0.37 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.82 1fur h LYS 436 Cb 0.54 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1fur h LYS 436 CO -0.38 0.36 0.01 0.00 -2.27 0.00 0.00 179.45 177.17 1fur h ALA 437 N 0.66 0.36 -0.46 5.00 0.00 -1.84 0.23 119.26 123.20 1fur h ALA 437 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1fur h ALA 437 Cb 0.35 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1fur h ALA 437 CO 0.00 -0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.08 1fur h ALA 438 N 1.33 0.59 -0.36 0.00 0.00 -1.04 0.17 119.26 119.95 1fur h ALA 438 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fur h ALA 438 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1fur h ALA 438 CO -0.30 0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.32 1fur h ALA 439 N 1.06 0.45 -0.17 0.00 0.00 0.03 -0.21 119.26 120.42 1fur h ALA 439 Ca 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1fur h ALA 439 Cb 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1fur h ALA 439 CO -0.02 -0.04 -0.08 -0.07 0.00 0.00 0.00 179.25 179.04 1fur h LEU 440 N 0.46 0.37 -1.48 0.00 3.38 -0.44 -2.09 115.31 115.51 1fur h LEU 440 Ca 0.13 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1fur h LEU 440 Cb 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1fur h LEU 440 CO -0.02 0.70 0.16 0.00 0.09 0.00 0.00 178.44 179.37 1fur h ALA 441 N 0.69 1.60 0.00 1.53 0.00 -0.87 0.12 119.26 122.33 1fur h ALA 441 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1fur h ALA 441 Cb 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fur h ALA 441 CO 0.02 0.32 0.00 -0.11 0.00 0.00 0.00 179.25 179.49 1fur n LEU 442 N -4.41 0.00 -1.24 0.00 7.94 -0.10 -4.91 117.00 114.29 1fur n LEU 442 Ca 0.02 0.43 -0.15 0.00 -1.11 0.00 0.00 56.01 55.20 1fur n LEU 442 Cb 0.12 -0.43 -0.06 0.00 0.53 0.00 0.00 43.42 43.58 1fur n LEU 442 CO 0.36 -0.02 -0.15 0.61 -1.11 0.00 0.00 177.39 177.08 1fur n GLY 443 N 1.28 1.39 0.16 -3.96 0.00 0.41 -4.88 105.19 99.59 1fur n GLY 443 Ca 0.09 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1fur n GLY 443 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1fur h TYR 444 N 0.00 0.00 -2.53 1.61 -1.99 -1.67 -3.48 116.97 108.91 1fur h TYR 444 Ca -0.32 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.56 1fur h TYR 444 Cb 1.03 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.72 1fur h TYR 444 CO 0.43 0.00 0.56 -0.48 -0.00 0.00 0.00 178.16 178.67 1fur s LEU 445 N -5.20 -0.02 0.32 3.88 0.05 -1.25 -5.08 118.68 111.37 1fur s LEU 445 Ca 0.08 -0.67 0.08 0.00 0.05 0.00 0.00 54.13 53.67 1fur s LEU 445 Cb 0.09 2.13 -0.04 0.00 -2.05 0.00 0.00 46.19 46.33 1fur s LEU 445 CO 0.59 -1.02 0.16 -0.94 -0.55 0.00 0.00 176.35 174.60 1fur s SER 446 N -3.33 4.89 0.18 1.48 1.04 -1.26 -4.46 113.70 112.24 1fur s SER 446 Ca 0.20 -0.63 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 1fur s SER 446 Cb -0.03 -0.87 0.18 0.00 0.10 0.00 0.00 66.02 65.40 1fur s SER 446 CO 0.05 -0.24 1.73 -0.08 0.98 0.00 0.00 173.24 175.68 1fur h GLU 447 N 1.52 0.26 0.10 4.02 4.81 -1.99 -0.89 114.58 122.41 1fur h GLU 447 Ca -0.44 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1fur h GLU 447 Cb 1.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1fur h GLU 447 CO 0.61 0.17 -0.25 0.00 -0.73 0.00 0.00 179.01 178.82 1fur h ALA 448 N 1.36 -0.41 -0.05 2.92 0.00 -1.99 -1.12 119.26 119.96 1fur h ALA 448 Ca 0.24 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 1fur h ALA 448 Cb 0.30 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fur h ALA 448 CO -0.29 -0.78 -0.46 1.05 0.00 0.00 0.00 179.25 178.77 1fur h GLU 449 N -0.45 0.12 0.60 0.00 4.11 -1.94 -2.44 114.58 114.58 1fur h GLU 449 Ca 0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1fur h GLU 449 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 1fur h GLU 449 CO -0.15 0.56 -0.29 0.35 0.07 0.00 0.00 179.01 179.55 1fur h PHE 450 N 0.10 -0.75 -0.32 2.06 3.57 -0.88 -1.40 116.94 119.32 1fur h PHE 450 Ca 0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1fur h PHE 450 Cb 0.86 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1fur h PHE 450 CO 0.01 -0.41 0.24 -0.44 -2.23 0.00 0.00 178.31 175.47 1fur h ASP 451 N -0.98 0.00 1.45 0.41 3.32 -1.19 0.14 116.42 119.58 1fur h ASP 451 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1fur h ASP 451 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1fur h ASP 451 CO 0.14 0.00 -0.29 0.77 -1.72 0.00 0.00 179.24 178.14 1fur h SER 452 N 0.00 0.00 0.07 6.45 4.64 -1.27 -3.35 113.55 120.09 1fur h SER 452 Ca 0.15 -0.04 -0.36 0.00 -0.47 0.00 0.00 61.79 61.07 1fur h SER 452 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1fur h SER 452 CO -0.00 0.02 -2.03 0.79 -0.87 0.00 0.00 176.83 174.74 1fur n TRP 453 N -2.57 0.89 -2.86 4.77 8.01 0.26 -4.69 117.44 121.24 1fur n TRP 453 Ca 0.04 0.22 -0.44 0.00 -1.31 0.00 0.00 57.50 56.01 1fur n TRP 453 Cb 0.48 -1.11 -0.01 0.00 -2.01 0.00 0.00 31.31 28.66 1fur n TRP 453 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1fur s VAL 454 N -2.52 4.70 -0.61 -0.99 0.11 0.17 -4.75 120.40 116.51 1fur s VAL 454 Ca -0.27 -1.97 -0.08 0.00 -2.93 0.00 0.00 61.98 56.72 1fur s VAL 454 Cb 0.07 -4.91 0.16 0.00 -1.53 0.00 0.00 36.38 30.17 1fur s VAL 454 CO 0.69 -1.66 0.48 -0.13 -3.33 0.00 0.00 175.10 171.16 1fur s ARG 455 N 2.63 2.79 0.38 1.54 1.81 -1.26 -4.86 118.95 121.98 1fur s ARG 455 Ca 0.41 -2.18 0.06 0.00 -1.72 0.00 0.00 55.73 52.30 1fur s ARG 455 Cb -0.02 -4.00 0.79 0.00 -0.45 0.00 0.00 34.95 31.27 1fur s ARG 455 CO -0.04 -1.21 2.01 -1.00 -0.68 0.00 0.00 175.30 174.38 1fur h PRO 456 N 7.85 0.65 0.00 3.54 0.13 -1.92 -1.69 132.00 140.56 1fur h PRO 456 Ca -0.07 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1fur h PRO 456 Cb 1.03 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1fur h PRO 456 CO 0.79 0.43 0.00 -0.85 -0.23 0.00 0.00 178.00 178.14 1fur n GLU 457 N -4.47 0.03 -0.84 0.86 0.00 -1.26 -1.22 120.64 113.74 1fur n GLU 457 Ca 0.07 0.34 -0.05 0.00 0.00 0.00 0.00 57.16 57.53 1fur n GLU 457 Cb 0.14 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.32 1fur n GLU 457 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fur n GLN 458 N -1.42 2.65 -0.44 3.44 6.02 -0.63 -5.12 117.38 121.88 1fur n GLN 458 Ca 0.02 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.95 1fur n GLN 458 Cb 0.06 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.33 1fur n GLN 458 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72