#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3f n MET 1 N 0.00 2.00 -3.29 1.57 2.00 -1.26 -4.70 117.12 113.43 3f3f n MET 1 Ca 0.00 -3.04 -0.29 0.00 0.00 0.00 0.00 57.70 54.38 3f3f n MET 1 Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 33.22 31.43 3f3f n MET 1 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 3f3f s GLN 2 N -3.10 3.64 1.10 0.03 -2.07 -1.26 -5.07 119.66 112.94 3f3f s GLN 2 Ca 0.41 0.05 -0.13 0.00 -1.82 0.00 0.00 55.36 53.87 3f3f s GLN 2 Cb 0.37 -2.62 0.23 0.00 -1.09 0.00 0.00 33.01 29.89 3f3f s GLN 2 CO 0.02 0.19 0.91 -2.30 -1.32 0.00 0.00 175.29 172.78 3f3f n PRO 3 N -0.98 -1.82 -3.74 9.60 -0.02 -1.26 -5.04 135.00 131.73 3f3f n PRO 3 Ca -0.01 -0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 60.87 3f3f n PRO 3 Cb 0.54 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 3f3f n PRO 3 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3f3f s PHE 4 N -2.44 -0.05 0.14 6.00 -0.12 -1.26 -5.15 117.98 115.10 3f3f s PHE 4 Ca 0.66 -0.28 -0.27 0.00 -0.05 0.00 0.00 56.93 56.99 3f3f s PHE 4 Cb -0.23 0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.19 3f3f s PHE 4 CO 0.64 -0.60 0.85 -0.51 -0.05 0.00 0.00 175.22 175.54 3f3f s ASP 5 N -2.69 7.42 0.09 1.98 1.01 -1.26 -4.96 116.67 118.27 3f3f s ASP 5 Ca 0.02 1.69 -0.13 0.00 0.71 0.00 0.00 52.55 54.84 3f3f s ASP 5 Cb 0.03 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.26 3f3f s ASP 5 CO -0.10 0.09 1.30 0.77 0.21 0.00 0.00 175.17 177.43 3f3f h SER 6 N 4.93 0.91 0.00 0.27 4.64 -2.03 -3.47 113.55 118.80 3f3f h SER 6 Ca -0.45 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 3f3f h SER 6 Cb 1.21 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3f3f h SER 6 CO 0.69 1.40 0.00 0.61 -0.87 0.00 0.00 176.83 178.66 3f3f n GLY 7 N 0.70 1.06 3.85 -0.77 0.00 -1.26 -5.04 105.19 103.73 3f3f n GLY 7 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3f3f n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f3f s HIS 8 N -2.00 3.61 -0.15 1.61 3.76 -1.26 -5.01 115.29 115.86 3f3f s HIS 8 Ca 0.00 0.98 -0.09 0.00 -0.15 0.00 0.00 55.06 55.80 3f3f s HIS 8 Cb 0.00 -2.30 -0.24 0.00 1.11 0.00 0.00 32.58 31.15 3f3f s HIS 8 CO 0.00 0.48 0.28 -0.25 -0.85 0.00 0.00 174.74 174.39 3f3f n ASP 9 N 0.93 2.07 -4.99 1.40 8.00 -1.26 -4.93 116.55 117.77 3f3f n ASP 9 Ca -0.07 0.22 -0.19 0.00 0.71 0.00 0.00 54.79 55.45 3f3f n ASP 9 Cb 0.52 -0.84 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 3f3f n ASP 9 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3f3f s ASP 10 N -6.98 6.03 0.29 -2.24 -1.08 -1.26 -5.01 116.67 106.41 3f3f s ASP 10 Ca -0.25 -0.12 -0.28 0.00 -0.52 0.00 0.00 52.55 51.38 3f3f s ASP 10 Cb 0.07 -1.35 -0.14 0.00 -1.46 0.00 0.00 42.92 40.03 3f3f s ASP 10 CO 0.72 -0.38 0.96 0.00 0.52 0.00 0.00 175.17 177.00 3f3f n LEU 11 N -1.62 1.57 -4.73 -1.34 -0.00 -1.26 -4.35 117.00 105.27 3f3f n LEU 11 Ca -0.02 1.17 -0.38 0.00 -0.00 0.00 0.00 56.01 56.78 3f3f n LEU 11 Cb 0.58 -1.26 -0.06 0.00 -0.00 0.00 0.00 43.42 42.68 3f3f n LEU 11 CO 0.43 -1.54 0.21 -0.69 -0.00 0.00 0.00 177.39 175.79 3f3f s VAL 12 N -1.07 5.13 -0.22 1.47 1.01 -1.26 -1.10 120.40 124.36 3f3f s VAL 12 Ca 0.59 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.56 3f3f s VAL 12 Cb -0.71 -3.85 -0.19 0.00 0.00 0.00 0.00 36.38 31.63 3f3f s VAL 12 CO 0.60 0.34 -0.07 1.41 0.00 0.00 0.00 175.10 177.38 3f3f n HIS 13 N 3.47 0.40 -3.91 5.22 8.25 -0.55 -4.98 115.22 123.12 3f3f n HIS 13 Ca -0.07 0.11 -0.11 0.00 -0.26 0.00 0.00 57.72 57.39 3f3f n HIS 13 Cb 0.52 -1.05 -0.11 0.00 1.12 0.00 0.00 29.99 30.46 3f3f n HIS 13 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f3f s ASP 14 N -6.86 0.08 -0.04 0.41 2.15 -1.21 -5.01 116.67 106.20 3f3f s ASP 14 Ca -0.32 -0.22 0.03 0.00 0.43 0.00 0.00 52.55 52.47 3f3f s ASP 14 Cb 0.09 0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.86 3f3f s ASP 14 CO 0.62 -0.23 -0.10 -0.69 -0.17 0.00 0.00 175.17 174.60 3f3f s VAL 15 N -0.97 0.89 0.01 1.11 1.01 -1.26 -2.65 120.40 118.55 3f3f s VAL 15 Ca -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3f3f s VAL 15 Cb -0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.51 3f3f s VAL 15 CO 0.00 0.28 -0.03 -0.69 0.00 0.00 0.00 175.10 174.67 3f3f s VAL 16 N 0.30 0.16 0.23 2.92 1.01 -0.39 -4.97 120.40 119.66 3f3f s VAL 16 Ca -0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 3f3f s VAL 16 Cb -0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 36.01 3f3f s VAL 16 CO 0.01 -0.16 0.52 -0.31 0.00 0.00 0.00 175.10 175.17 3f3f s TYR 17 N -0.57 3.44 0.27 5.22 2.02 -1.26 -0.35 117.35 126.12 3f3f s TYR 17 Ca -0.05 0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 57.39 3f3f s TYR 17 Cb -0.04 -2.19 0.06 0.00 -0.40 0.00 0.00 41.96 39.39 3f3f s TYR 17 CO -0.00 0.28 0.37 -0.40 -1.57 0.00 0.00 175.55 174.22 3f3f n ASP 18 N -0.24 0.04 -0.22 2.29 3.85 -0.49 -4.73 116.55 117.05 3f3f n ASP 18 Ca -0.00 -1.14 -0.07 0.00 -0.71 0.00 0.00 54.79 52.87 3f3f n ASP 18 Cb 0.53 -0.28 0.03 0.00 -1.35 0.00 0.00 41.12 40.05 3f3f n ASP 18 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3f3f h PHE 19 N -1.19 0.92 -0.00 2.11 3.57 -1.91 -3.09 116.94 117.35 3f3f h PHE 19 Ca -0.12 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.32 3f3f h PHE 19 Cb 0.33 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3f3f h PHE 19 CO 0.00 0.72 -0.06 0.66 -2.23 0.00 0.00 178.31 177.40 3f3f n TYR 20 N -4.47 0.00 -0.98 0.41 4.02 -1.26 -4.92 117.16 109.96 3f3f n TYR 20 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3f3f n TYR 20 Cb 0.15 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.20 3f3f n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f3f n GLY 21 N 1.31 0.55 0.63 2.72 0.00 -1.17 -4.88 105.19 104.36 3f3f n GLY 21 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 3f3f n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3f n ARG 22 N -2.26 1.56 -4.10 1.61 5.12 -1.26 -4.91 116.66 112.42 3f3f n ARG 22 Ca 0.00 -1.27 -0.13 0.00 -1.93 0.00 0.00 57.85 54.52 3f3f n ARG 22 Cb 0.05 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 29.77 3f3f n ARG 22 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3f3f s HIS 23 N -2.32 0.79 -0.01 -1.55 3.76 -1.26 -1.92 115.29 112.79 3f3f s HIS 23 Ca 0.22 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3f3f s HIS 23 Cb 0.19 -0.46 0.01 0.00 1.11 0.00 0.00 32.58 33.42 3f3f s HIS 23 CO 0.48 -0.07 -0.01 0.08 -0.85 0.00 0.00 174.74 174.37 3f3f s VAL 24 N -1.75 0.09 -0.11 -0.90 1.01 -0.75 -1.40 120.40 116.58 3f3f s VAL 24 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3f3f s VAL 24 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.17 3f3f s VAL 24 CO -0.00 0.05 -0.11 0.00 0.00 0.00 0.00 175.10 175.04 3f3f s ALA 25 N 0.22 2.72 -0.02 5.51 0.00 0.53 0.03 121.76 130.76 3f3f s ALA 25 Ca -0.02 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.12 3f3f s ALA 25 Cb -0.03 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 3f3f s ALA 25 CO -0.01 0.33 -0.24 0.99 0.00 0.00 0.00 175.76 176.83 3f3f s THR 26 N 0.06 1.88 -0.02 0.00 2.01 0.23 -1.27 115.64 118.53 3f3f s THR 26 Ca -0.04 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3f3f s THR 26 Cb -0.14 -1.56 0.01 0.00 0.01 0.00 0.00 72.50 70.82 3f3f s THR 26 CO 0.04 0.52 -0.02 0.00 -0.69 0.00 0.00 174.62 174.47 3f3f n SER 28 N 3.62 1.16 0.21 0.00 3.41 -1.14 -1.49 113.62 119.40 3f3f n SER 28 Ca -0.21 -1.82 0.10 0.00 -0.26 0.00 0.00 58.87 56.68 3f3f n SER 28 Cb 0.54 0.37 0.36 0.00 -0.26 0.00 0.00 64.21 65.22 3f3f n SER 28 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3f3f h SER 29 N 0.60 0.00 0.00 4.04 0.02 -1.31 -1.96 113.55 114.95 3f3f h SER 29 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3f3f h SER 29 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3f3f h SER 29 CO 0.20 0.21 0.00 -0.90 -1.14 0.00 0.00 176.83 175.19 3f3f n ASP 30 N -3.26 0.38 -3.47 3.07 5.68 -1.26 -4.12 116.55 113.56 3f3f n ASP 30 Ca 0.01 -1.17 -0.25 0.00 -0.50 0.00 0.00 54.79 52.88 3f3f n ASP 30 Cb 0.49 -0.19 0.04 0.00 -1.14 0.00 0.00 41.12 40.32 3f3f n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3f3f n GLN 31 N -0.05 -5.99 -4.30 0.11 6.02 -1.15 -4.97 117.38 107.05 3f3f n GLN 31 Ca 0.00 0.77 -0.22 0.00 -0.01 0.00 0.00 57.00 57.53 3f3f n GLN 31 Cb 0.09 -5.69 -0.12 0.00 1.02 0.00 0.00 30.24 25.55 3f3f n GLN 31 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3f3f s HIS 32 N -3.23 1.76 -0.18 1.08 3.76 -1.26 -1.28 115.29 115.94 3f3f s HIS 32 Ca 0.50 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.96 3f3f s HIS 32 Cb -0.23 -0.92 0.04 0.00 1.11 0.00 0.00 32.58 32.58 3f3f s HIS 32 CO 0.62 0.26 -0.11 0.42 -0.85 0.00 0.00 174.74 175.07 3f3f s ILE 33 N -1.69 1.58 -0.03 0.60 1.01 -0.40 -2.88 121.20 119.40 3f3f s ILE 33 Ca 0.11 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.92 3f3f s ILE 33 Cb -0.07 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3f3f s ILE 33 CO 0.05 0.27 -0.02 -0.54 0.00 0.00 0.00 174.94 174.70 3f3f s LYS 34 N 1.44 2.78 -0.14 2.79 1.02 0.72 -2.48 119.74 125.87 3f3f s LYS 34 Ca 0.01 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.44 3f3f s LYS 34 Cb -0.15 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 3f3f s LYS 34 CO -0.09 0.64 -0.18 0.08 -0.92 0.00 0.00 175.35 174.88 3f3f s VAL 35 N -0.99 1.80 0.03 3.17 1.01 0.48 0.76 120.40 126.66 3f3f s VAL 35 Ca 0.17 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3f3f s VAL 35 Cb -0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3f3f s VAL 35 CO 0.07 0.50 0.04 -0.36 0.00 0.00 0.00 175.10 175.34 3f3f s PHE 36 N 1.05 3.13 -0.04 5.22 0.40 0.10 0.72 117.98 128.57 3f3f s PHE 36 Ca -0.03 0.08 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 3f3f s PHE 36 Cb -0.14 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 3f3f s PHE 36 CO -0.05 0.50 -0.15 0.21 0.70 0.00 0.00 175.22 176.42 3f3f s LYS 37 N -1.93 2.45 -0.86 0.44 2.20 -0.55 -1.81 119.74 119.69 3f3f s LYS 37 Ca 0.24 -0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 54.98 3f3f s LYS 37 Cb -0.12 -2.34 0.22 0.00 -1.51 0.00 0.00 37.83 34.08 3f3f s LYS 37 CO 0.15 0.62 0.83 -1.17 -0.36 0.00 0.00 175.35 175.42 3f3f s LEU 38 N -0.75 6.58 -0.08 5.43 2.96 -0.81 -0.63 118.68 131.38 3f3f s LEU 38 Ca 0.11 -2.70 -0.38 0.00 -0.22 0.00 0.00 54.13 50.95 3f3f s LEU 38 Cb -0.11 -2.23 -0.16 0.00 0.50 0.00 0.00 46.19 44.20 3f3f s LEU 38 CO 0.01 -0.60 1.54 -0.67 -1.32 0.00 0.00 176.35 175.31 3f3f n ASP 39 N 4.13 2.04 0.31 3.68 2.03 -0.97 -4.89 116.55 122.88 3f3f n ASP 39 Ca 0.16 1.10 -0.17 0.00 0.52 0.00 0.00 54.79 56.39 3f3f n ASP 39 Cb 0.47 -1.17 -0.09 0.00 -0.72 0.00 0.00 41.12 39.60 3f3f n ASP 39 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3f3f h LYS 40 N 5.88 -0.89 0.00 -0.67 1.57 -1.95 -3.28 116.57 117.23 3f3f h LYS 40 Ca -0.47 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3f3f h LYS 40 Cb 1.33 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3f3f h LYS 40 CO 0.87 -0.59 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 3f3f n ASP 41 N -5.52 0.00 -4.44 0.86 8.00 -1.26 -4.14 116.55 110.05 3f3f n ASP 41 Ca -0.12 0.88 -0.44 0.00 0.71 0.00 0.00 54.79 55.82 3f3f n ASP 41 Cb 0.42 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 3f3f n ASP 41 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3f3f s THR 42 N -2.52 4.52 0.00 -3.53 -4.23 -1.25 -4.92 115.64 103.72 3f3f s THR 42 Ca 0.00 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 3f3f s THR 42 Cb 0.00 -4.57 0.00 0.00 1.34 0.00 0.00 72.50 69.27 3f3f s THR 42 CO 0.00 -1.26 0.60 -1.20 -0.54 0.00 0.00 174.62 172.22 3f3f n SER 43 N 7.14 0.00 -4.46 3.99 7.64 -1.24 -4.32 113.62 122.38 3f3f n SER 43 Ca -0.05 -1.46 -0.27 0.00 1.01 0.00 0.00 58.87 58.10 3f3f n SER 43 Cb 0.45 -0.20 -0.11 0.00 -1.01 0.00 0.00 64.21 63.34 3f3f n SER 43 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3f3f s ASN 44 N 3.31 3.62 -0.12 6.43 -0.87 -1.26 -1.59 114.94 124.46 3f3f s ASN 44 Ca 0.00 -0.81 -0.18 0.00 -1.57 0.00 0.00 52.86 50.30 3f3f s ASN 44 Cb 0.00 -0.36 -0.04 0.00 -0.02 0.00 0.00 41.25 40.83 3f3f s ASN 44 CO 0.00 0.11 0.46 0.26 -2.57 0.00 0.00 177.10 175.37 3f3f s TRP 45 N -1.73 3.50 -0.03 2.20 0.52 -1.26 -2.29 118.94 119.86 3f3f s TRP 45 Ca 0.22 0.86 0.00 0.00 0.02 0.00 0.00 56.10 57.21 3f3f s TRP 45 Cb -0.08 -2.54 0.03 0.00 -1.15 0.00 0.00 33.47 29.73 3f3f s TRP 45 CO 0.11 0.16 0.01 -1.21 0.02 0.00 0.00 176.95 176.05 3f3f s GLU 46 N 0.65 0.21 -0.23 4.98 2.02 0.20 -4.95 118.70 121.58 3f3f s GLU 46 Ca 0.25 0.11 -0.41 0.00 0.02 0.00 0.00 54.97 54.94 3f3f s GLU 46 Cb -0.15 -0.42 -0.17 0.00 0.10 0.00 0.00 34.13 33.49 3f3f s GLU 46 CO 0.10 -0.14 1.59 -0.11 0.02 0.00 0.00 175.26 176.71 3f3f n LEU 47 N 4.15 1.86 -0.01 1.80 7.94 -1.26 -1.48 117.00 130.01 3f3f n LEU 47 Ca -0.27 1.11 -0.21 0.00 -1.11 0.00 0.00 56.01 55.54 3f3f n LEU 47 Cb 0.50 -1.09 -0.14 0.00 0.53 0.00 0.00 43.42 43.23 3f3f n LEU 47 CO 0.22 -0.73 -0.88 -0.24 -1.11 0.00 0.00 177.39 174.65 3f3f n SER 48 N 4.30 2.07 -3.62 1.96 2.88 0.22 -4.75 113.62 116.68 3f3f n SER 48 Ca 0.25 0.17 -0.07 0.00 -1.33 0.00 0.00 58.87 57.89 3f3f n SER 48 Cb 0.10 -0.78 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 3f3f n SER 48 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3f3f s ASP 49 N -6.94 -0.26 0.11 -3.46 3.68 -1.03 -0.88 116.67 107.89 3f3f s ASP 49 Ca -0.24 0.40 0.05 0.00 2.13 0.00 0.00 52.55 54.90 3f3f s ASP 49 Cb 0.07 0.37 -0.04 0.00 -1.45 0.00 0.00 42.92 41.88 3f3f s ASP 49 CO 0.75 -0.16 -0.14 -0.55 0.13 0.00 0.00 175.17 175.20 3f3f s SER 50 N -0.46 1.86 -0.19 -0.34 0.15 -1.26 -0.39 113.70 113.06 3f3f s SER 50 Ca 0.04 -0.77 -0.30 0.00 0.70 0.00 0.00 55.95 55.62 3f3f s SER 50 Cb -0.03 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.37 3f3f s SER 50 CO -0.06 -0.15 1.09 -1.66 1.20 0.00 0.00 173.24 173.67 3f3f s TRP 51 N -2.00 -0.28 0.04 3.44 -2.14 -1.04 -3.88 118.94 113.09 3f3f s TRP 51 Ca 0.06 0.47 -0.30 0.00 2.66 0.00 0.00 56.10 58.99 3f3f s TRP 51 Cb -0.06 0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 30.73 3f3f s TRP 51 CO 0.02 -0.26 1.02 0.50 -2.66 0.00 0.00 176.95 175.57 3f3f s ARG 52 N -1.12 4.57 0.00 3.25 3.52 -1.26 -1.27 118.95 126.63 3f3f s ARG 52 Ca 0.01 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3f3f s ARG 52 Cb -0.01 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3f3f s ARG 52 CO -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 175.30 174.45 3f3f n ALA 53 N 3.61 1.36 -2.16 6.12 0.00 -0.40 -4.94 120.51 124.10 3f3f n ALA 53 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 3f3f n ALA 53 Cb 0.50 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 3f3f n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3f3f s HIS 54 N -1.36 0.84 -0.82 0.00 3.76 -1.24 -5.03 115.29 111.45 3f3f s HIS 54 Ca 0.00 -1.01 0.26 0.00 -0.15 0.00 0.00 55.06 54.16 3f3f s HIS 54 Cb 0.00 -0.51 0.72 0.00 1.11 0.00 0.00 32.58 33.90 3f3f s HIS 54 CO 0.00 -0.27 1.61 -0.25 -0.85 0.00 0.00 174.74 174.98 3f3f n ASP 55 N -0.04 0.53 -3.04 1.40 8.00 -1.26 -4.77 116.55 117.38 3f3f n ASP 55 Ca -0.11 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.49 3f3f n ASP 55 Cb 0.62 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 3f3f n ASP 55 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3f3f n SER 56 N -1.90 0.90 -4.68 -2.24 2.88 -1.26 -5.00 113.62 102.32 3f3f n SER 56 Ca 0.05 -2.50 -0.44 0.00 -1.33 0.00 0.00 58.87 54.65 3f3f n SER 56 Cb 0.39 0.78 -0.04 0.00 -0.75 0.00 0.00 64.21 64.59 3f3f n SER 56 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3f3f n SER 57 N -1.75 3.81 -4.60 -3.46 2.88 -1.26 -4.36 113.62 104.88 3f3f n SER 57 Ca -0.03 0.98 -0.42 0.00 -1.33 0.00 0.00 58.87 58.08 3f3f n SER 57 Cb 0.42 -1.49 -0.06 0.00 -0.75 0.00 0.00 64.21 62.34 3f3f n SER 57 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3f3f s ILE 58 N 3.18 4.85 -0.23 2.46 1.01 -0.75 -1.50 121.20 130.23 3f3f s ILE 58 Ca 0.86 0.94 -0.04 0.00 0.00 0.00 0.00 60.65 62.41 3f3f s ILE 58 Cb -0.55 -4.09 -0.19 0.00 0.01 0.00 0.00 42.46 37.65 3f3f s ILE 58 CO 0.42 -0.24 -0.08 0.52 0.00 0.00 0.00 174.94 175.56 3f3f n VAL 59 N 5.52 1.57 -4.38 2.92 0.31 -0.43 -3.81 118.33 120.03 3f3f n VAL 59 Ca 0.01 -0.53 -0.24 0.00 -0.01 0.00 0.00 64.34 63.57 3f3f n VAL 59 Cb 0.48 -1.61 -0.09 0.00 -0.91 0.00 0.00 33.84 31.72 3f3f n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f3f s ALA 60 N -2.52 3.04 0.22 3.52 0.00 -1.10 -3.99 121.76 120.93 3f3f s ALA 60 Ca -0.32 -1.87 -0.20 0.00 0.00 0.00 0.00 51.96 49.57 3f3f s ALA 60 Cb 0.09 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.84 3f3f s ALA 60 CO 0.62 0.18 0.61 -1.50 0.00 0.00 0.00 175.76 175.67 3f3f s ILE 61 N -2.48 0.01 -0.30 0.00 2.07 -1.26 -2.31 121.20 116.93 3f3f s ILE 61 Ca 0.32 -0.73 -0.27 0.00 -1.41 0.00 0.00 60.65 58.56 3f3f s ILE 61 Cb -0.03 -1.65 0.20 0.00 0.13 0.00 0.00 42.46 41.11 3f3f s ILE 61 CO 0.18 -0.04 1.46 -0.62 -1.91 0.00 0.00 174.94 174.01 3f3f s ASP 62 N -2.87 -0.00 0.10 4.50 2.15 -0.83 -4.86 116.67 114.86 3f3f s ASP 62 Ca 0.09 0.00 -0.01 0.00 0.43 0.00 0.00 52.55 53.06 3f3f s ASP 62 Cb -0.03 0.00 -0.04 0.00 -0.30 0.00 0.00 42.92 42.55 3f3f s ASP 62 CO -0.01 -0.00 0.28 0.26 -0.17 0.00 0.00 175.17 175.53 3f3f s TRP 63 N -0.43 3.50 0.52 -5.34 0.52 -1.26 -0.75 118.94 115.71 3f3f s TRP 63 Ca 0.09 0.33 0.01 0.00 0.02 0.00 0.00 56.10 56.54 3f3f s TRP 63 Cb -0.03 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.49 3f3f s TRP 63 CO -0.14 0.52 0.75 0.00 0.02 0.00 0.00 176.95 178.11 3f3f s ALA 64 N -1.60 3.83 0.38 0.98 0.00 -0.29 -4.73 121.76 120.33 3f3f s ALA 64 Ca 0.37 -1.23 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 3f3f s ALA 64 Cb -0.12 -2.12 -0.11 0.00 0.00 0.00 0.00 23.12 20.77 3f3f s ALA 64 CO 0.27 -0.65 1.46 0.45 0.00 0.00 0.00 175.76 177.29 3f3f s SER 65 N -4.36 6.37 0.67 0.00 0.15 -1.26 -4.76 113.70 110.50 3f3f s SER 65 Ca 0.55 3.00 0.38 0.00 0.70 0.00 0.00 55.95 60.57 3f3f s SER 65 Cb -0.10 -2.67 2.06 0.00 -1.71 0.00 0.00 66.02 63.60 3f3f s SER 65 CO 0.38 -0.85 2.16 -0.65 1.20 0.00 0.00 173.24 175.49 3f3f h PRO 66 N 3.01 0.00 -0.12 5.44 0.11 -1.97 -1.36 132.00 137.11 3f3f h PRO 66 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3f3f h PRO 66 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3f3f h PRO 66 CO 0.64 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.58 3f3f n GLU 67 N -2.98 0.92 0.00 1.05 0.28 -1.26 -2.26 120.64 116.39 3f3f n GLU 67 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3f3f n GLU 67 Cb 0.22 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.03 3f3f n GLU 67 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3f3f n TYR 68 N -0.43 0.00 0.00 -1.84 4.01 -0.51 -5.13 117.16 113.26 3f3f n TYR 68 Ca 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 3f3f n TYR 68 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3f3f n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f3f n GLY 69 N -0.14 -1.13 3.37 2.72 0.00 -0.96 -4.83 105.19 104.23 3f3f n GLY 69 Ca 0.00 -2.13 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 3f3f n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3f s ARG 70 N 0.00 3.23 -0.05 1.61 1.81 -1.26 -4.42 118.95 119.87 3f3f s ARG 70 Ca 0.00 -1.63 0.03 0.00 -1.72 0.00 0.00 55.73 52.41 3f3f s ARG 70 Cb 0.00 -4.40 0.01 0.00 -0.45 0.00 0.00 34.95 30.11 3f3f s ARG 70 CO 0.00 -1.52 -0.13 0.42 -0.68 0.00 0.00 175.30 173.39 3f3f s ILE 71 N 2.14 1.13 0.15 1.52 1.01 -1.26 -1.73 121.20 124.17 3f3f s ILE 71 Ca 0.15 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.39 3f3f s ILE 71 Cb -0.19 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3f3f s ILE 71 CO 0.01 0.34 -0.25 -0.63 0.00 0.00 0.00 174.94 174.41 3f3f s ILE 72 N 0.34 2.24 0.02 2.92 1.01 -0.58 -1.13 121.20 126.02 3f3f s ILE 72 Ca -0.08 -1.86 0.05 0.00 0.00 0.00 0.00 60.65 58.76 3f3f s ILE 72 Cb -0.13 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 3f3f s ILE 72 CO 0.02 -0.02 -0.15 0.00 0.00 0.00 0.00 174.94 174.80 3f3f s ALA 73 N -1.34 1.24 0.03 9.38 0.00 0.07 -0.88 121.76 130.26 3f3f s ALA 73 Ca 0.16 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3f3f s ALA 73 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3f3f s ALA 73 CO 0.07 0.27 -0.09 -1.54 0.00 0.00 0.00 175.76 174.47 3f3f s SER 74 N -0.78 1.07 -0.06 0.00 1.04 0.03 -1.96 113.70 113.04 3f3f s SER 74 Ca 0.04 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.13 3f3f s SER 74 Cb -0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 3f3f s SER 74 CO 0.00 -0.04 -0.22 0.00 0.98 0.00 0.00 173.24 173.96 3f3f s ALA 75 N -0.84 1.91 0.25 5.32 0.00 -0.98 -1.09 121.76 126.33 3f3f s ALA 75 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3f3f s ALA 75 Cb -0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.38 3f3f s ALA 75 CO 0.01 0.35 0.03 0.45 0.00 0.00 0.00 175.76 176.59 3f3f s SER 76 N -0.02 1.73 0.00 0.00 0.15 -0.79 -1.31 113.70 113.46 3f3f s SER 76 Ca -0.05 -1.28 0.18 0.00 0.70 0.00 0.00 55.95 55.50 3f3f s SER 76 Cb -0.13 0.04 0.89 0.00 -1.71 0.00 0.00 66.02 65.10 3f3f s SER 76 CO 0.04 -0.59 1.57 -1.22 1.20 0.00 0.00 173.24 174.24 3f3f n TYR 77 N -0.47 0.00 0.63 3.44 0.53 -0.56 -1.71 117.16 119.02 3f3f n TYR 77 Ca -0.03 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.83 3f3f n TYR 77 Cb 0.65 -0.35 0.06 0.00 -1.03 0.00 0.00 39.34 38.66 3f3f n TYR 77 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3f3f n ASP 78 N -1.35 2.45 -0.74 7.72 5.75 -1.26 -4.35 116.55 124.77 3f3f n ASP 78 Ca 0.07 -2.23 -0.10 0.00 -0.01 0.00 0.00 54.79 52.53 3f3f n ASP 78 Cb 0.17 -0.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.67 3f3f n ASP 78 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3f3f n LYS 79 N 0.15 -1.70 -4.47 0.11 5.02 -1.11 -4.97 118.16 111.19 3f3f n LYS 79 Ca 0.08 0.83 -0.23 0.00 -2.02 0.00 0.00 58.31 56.97 3f3f n LYS 79 Cb 0.56 -5.25 -0.10 0.00 -0.02 0.00 0.00 35.03 30.21 3f3f n LYS 79 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3f3f s THR 80 N -1.84 1.81 -0.08 -0.18 -4.23 -1.25 -4.23 115.64 105.63 3f3f s THR 80 Ca 0.00 -2.14 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 3f3f s THR 80 Cb 0.00 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3f3f s THR 80 CO 0.00 -0.24 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.06 3f3f s VAL 81 N -2.90 0.92 0.07 2.29 1.01 -1.09 -1.88 120.40 118.81 3f3f s VAL 81 Ca 0.31 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.08 3f3f s VAL 81 Cb 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3f3f s VAL 81 CO 0.14 0.32 -0.22 -0.54 0.00 0.00 0.00 175.10 174.80 3f3f s LYS 82 N 1.13 1.83 -0.05 2.72 1.02 -0.25 -1.06 119.74 125.07 3f3f s LYS 82 Ca -0.06 -1.12 0.04 0.00 0.02 0.00 0.00 55.97 54.85 3f3f s LYS 82 Cb -0.14 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 3f3f s LYS 82 CO -0.01 0.51 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.24 3f3f s LEU 83 N -1.59 2.54 0.07 3.17 1.43 -1.18 -0.79 118.68 122.32 3f3f s LEU 83 Ca 0.14 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3f3f s LEU 83 Cb -0.10 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 3f3f s LEU 83 CO 0.05 0.31 -0.13 0.26 0.23 0.00 0.00 176.35 177.08 3f3f s TRP 84 N -0.55 1.08 -0.07 0.29 0.52 -0.06 0.22 118.94 120.38 3f3f s TRP 84 Ca 0.08 -0.48 0.02 0.00 0.02 0.00 0.00 56.10 55.74 3f3f s TRP 84 Cb -0.11 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.61 3f3f s TRP 84 CO 0.01 0.02 -0.12 -2.00 0.02 0.00 0.00 176.95 174.89 3f3f s GLU 85 N -1.74 1.67 0.14 4.98 2.12 -0.85 -1.53 118.70 123.50 3f3f s GLU 85 Ca -0.04 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 3f3f s GLU 85 Cb -0.10 -1.42 -0.08 0.00 0.26 0.00 0.00 34.13 32.79 3f3f s GLU 85 CO 0.02 -0.01 1.33 -2.00 -0.54 0.00 0.00 175.26 174.06 3f3f s GLU 86 N 0.78 4.36 -0.56 4.30 2.12 -0.71 -1.87 118.70 127.13 3f3f s GLU 86 Ca -0.12 2.03 -0.10 0.00 0.36 0.00 0.00 54.97 57.13 3f3f s GLU 86 Cb -0.15 -3.24 0.14 0.00 0.26 0.00 0.00 34.13 31.14 3f3f s GLU 86 CO 0.02 -0.34 0.45 0.34 -0.54 0.00 0.00 175.26 175.19 3f3f s ASP 87 N 0.79 5.88 0.14 -1.70 2.15 0.11 -4.86 116.67 119.19 3f3f s ASP 87 Ca 0.61 -2.14 0.07 0.00 0.43 0.00 0.00 52.55 51.52 3f3f s ASP 87 Cb -0.36 -2.05 0.36 0.00 -0.30 0.00 0.00 42.92 40.57 3f3f s ASP 87 CO 0.33 -0.66 1.08 -0.81 -0.17 0.00 0.00 175.17 174.95 3f3f n PRO 88 N 4.64 0.05 -0.92 4.34 -0.04 -1.26 -2.33 135.00 139.47 3f3f n PRO 88 Ca -0.03 0.45 -0.19 0.00 -0.04 0.00 0.00 63.50 63.69 3f3f n PRO 88 Cb 0.41 -1.84 0.10 0.00 -0.04 0.00 0.00 33.50 32.13 3f3f n PRO 88 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3f3f n ASP 89 N -1.68 4.77 -4.01 3.54 8.00 -1.26 -4.87 116.55 121.04 3f3f n ASP 89 Ca -0.00 -3.19 -0.13 0.00 0.71 0.00 0.00 54.79 52.18 3f3f n ASP 89 Cb 0.20 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.34 3f3f n ASP 89 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3f3f s GLN 90 N -2.38 0.43 0.49 -1.24 -1.52 -0.99 -5.13 119.66 109.32 3f3f s GLN 90 Ca 0.41 -0.55 -0.22 0.00 -1.95 0.00 0.00 55.36 53.04 3f3f s GLN 90 Cb 0.33 -0.24 -0.07 0.00 -0.22 0.00 0.00 33.01 32.82 3f3f s GLN 90 CO 0.05 0.05 1.17 -1.21 -0.25 0.00 0.00 175.29 175.09 3f3f s GLU 91 N -1.12 3.62 0.41 2.91 2.02 -1.26 -4.95 118.70 120.33 3f3f s GLU 91 Ca -0.08 1.76 -0.24 0.00 0.02 0.00 0.00 54.97 56.44 3f3f s GLU 91 Cb -0.08 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.77 3f3f s GLU 91 CO 0.00 -0.67 1.07 -1.21 0.02 0.00 0.00 175.26 174.48 3f3f s GLU 92 N -2.85 4.09 0.00 1.61 2.02 -1.26 -2.77 118.70 119.54 3f3f s GLU 92 Ca 0.66 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3f3f s GLU 92 Cb -0.28 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3f3f s GLU 92 CO 0.33 -0.22 0.00 0.00 0.02 0.00 0.00 175.26 175.40 3f3f n SER 94 N -0.03 0.70 0.00 0.00 3.41 -1.11 -4.82 113.62 111.77 3f3f n SER 94 Ca 0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3f3f n SER 94 Cb 0.02 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 3f3f n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f3f n GLY 95 N 0.30 1.36 2.35 5.00 0.00 -1.25 -4.82 105.19 108.13 3f3f n GLY 95 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3f3f n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3f n ARG 96 N -2.00 2.98 -0.00 1.61 1.74 -1.26 -4.76 116.66 114.96 3f3f n ARG 96 Ca 0.00 -4.05 0.07 0.00 -0.77 0.00 0.00 57.85 53.10 3f3f n ARG 96 Cb 0.00 -2.05 -0.10 0.00 -1.02 0.00 0.00 32.46 29.30 3f3f n ARG 96 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3f3f n ARG 97 N -0.56 1.41 -4.00 5.56 0.63 -1.26 -4.81 116.66 113.62 3f3f n ARG 97 Ca 0.32 -0.07 -0.31 0.00 -0.92 0.00 0.00 57.85 56.88 3f3f n ARG 97 Cb 0.84 -1.25 -0.16 0.00 0.45 0.00 0.00 32.46 32.34 3f3f n ARG 97 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3f3f s TRP 98 N -2.66 2.43 -0.13 -0.14 0.52 -1.26 0.09 118.94 117.79 3f3f s TRP 98 Ca 0.00 -1.60 -0.20 0.00 0.02 0.00 0.00 56.10 54.33 3f3f s TRP 98 Cb 0.10 -1.65 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 3f3f s TRP 98 CO 0.59 -0.75 0.55 -0.80 0.02 0.00 0.00 176.95 176.57 3f3f s ASN 99 N 1.39 6.74 0.20 2.95 -0.87 -0.78 -4.82 114.94 119.74 3f3f s ASN 99 Ca -0.01 0.88 -0.32 0.00 -1.57 0.00 0.00 52.86 51.84 3f3f s ASN 99 Cb -0.16 -2.32 -0.11 0.00 -0.02 0.00 0.00 41.25 38.63 3f3f s ASN 99 CO -0.08 -0.08 1.68 -0.75 -2.57 0.00 0.00 177.10 175.30 3f3f s LYS 100 N 0.93 4.15 -0.01 -0.60 2.20 -1.26 -2.01 119.74 123.14 3f3f s LYS 100 Ca 0.29 2.54 0.21 0.00 -0.36 0.00 0.00 55.97 58.65 3f3f s LYS 100 Cb -0.16 -3.09 -0.26 0.00 -1.51 0.00 0.00 37.83 32.81 3f3f s LYS 100 CO 0.12 -0.71 0.74 1.28 -0.36 0.00 0.00 175.35 176.42 3f3f n LEU 101 N 3.95 0.66 0.00 5.43 4.77 0.13 -4.94 117.00 127.00 3f3f n LEU 101 Ca 0.15 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3f3f n LEU 101 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3f3f n LEU 101 CO 0.63 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.86 3f3f s THR 103 N -2.00 -0.01 -0.30 0.00 2.01 -1.26 -3.09 115.64 110.98 3f3f s THR 103 Ca 0.00 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 3f3f s THR 103 Cb 0.00 -0.26 0.05 0.00 0.01 0.00 0.00 72.50 72.30 3f3f s THR 103 CO 0.00 0.02 0.01 -0.76 -0.69 0.00 0.00 174.62 173.20 3f3f s LEU 104 N 0.43 3.91 0.00 4.42 1.43 -0.23 -4.96 118.68 123.68 3f3f s LEU 104 Ca -0.03 -1.22 0.19 0.00 -1.03 0.00 0.00 54.13 52.04 3f3f s LEU 104 Cb -0.04 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.53 3f3f s LEU 104 CO -0.02 -0.26 1.04 -0.46 0.23 0.00 0.00 176.35 176.88 3f3f n ASN 105 N 4.65 2.25 -0.30 2.29 6.94 -1.26 -2.69 115.26 127.14 3f3f n ASN 105 Ca -0.13 -1.63 0.28 0.00 -0.02 0.00 0.00 54.58 53.08 3f3f n ASN 105 Cb 0.44 0.22 0.62 0.00 -2.36 0.00 0.00 39.78 38.69 3f3f n ASN 105 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3f3f h ASP 106 N 3.04 0.23 -3.45 0.53 5.19 -1.93 -3.41 116.42 116.63 3f3f h ASP 106 Ca 0.00 0.04 -0.52 0.00 -0.62 0.00 0.00 57.03 55.93 3f3f h ASP 106 Cb 0.73 0.01 0.04 0.00 0.18 0.00 0.00 39.33 40.30 3f3f h ASP 106 CO 0.00 0.04 0.68 -0.55 -3.12 0.00 0.00 179.24 176.30 3f3f s SER 107 N -5.28 6.81 -0.06 6.45 0.15 -1.26 -4.91 113.70 115.61 3f3f s SER 107 Ca -0.07 2.52 0.15 0.00 0.70 0.00 0.00 55.95 59.25 3f3f s SER 107 Cb 0.24 -2.62 0.48 0.00 -1.71 0.00 0.00 66.02 62.41 3f3f s SER 107 CO 0.80 -0.58 1.40 2.29 1.20 0.00 0.00 173.24 178.35 3f3f n LYS 108 N 2.29 3.05 -4.01 5.44 2.85 -1.26 -4.83 118.16 121.69 3f3f n LYS 108 Ca 0.05 -2.46 -0.08 0.00 -1.05 0.00 0.00 58.31 54.78 3f3f n LYS 108 Cb 0.42 -1.55 -0.09 0.00 -0.65 0.00 0.00 35.03 33.16 3f3f n LYS 108 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3f3f s GLY 109 N -1.16 0.35 0.86 2.58 0.00 -1.26 -4.85 107.32 103.85 3f3f s GLY 109 Ca 0.36 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 3f3f s GLY 109 CO 0.18 -1.14 0.70 1.44 0.00 0.00 0.00 173.10 174.29 3f3f n SER 110 N 0.04 -0.89 -4.52 1.64 7.64 -1.26 -4.35 113.62 111.92 3f3f n SER 110 Ca -0.14 0.46 -0.34 0.00 1.01 0.00 0.00 58.87 59.86 3f3f n SER 110 Cb 0.62 -1.31 -0.12 0.00 -1.01 0.00 0.00 64.21 62.39 3f3f n SER 110 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3f3f s LEU 111 N -2.57 3.05 -0.05 -3.43 1.43 -0.70 -0.95 118.68 115.46 3f3f s LEU 111 Ca 0.64 -0.11 0.13 0.00 -1.03 0.00 0.00 54.13 53.76 3f3f s LEU 111 Cb -0.26 -1.67 -0.19 0.00 0.03 0.00 0.00 46.19 44.09 3f3f s LEU 111 CO 0.60 0.30 0.21 -1.22 0.23 0.00 0.00 176.35 176.48 3f3f n TYR 112 N 2.62 0.00 -3.74 0.29 4.02 -0.38 -4.21 117.16 115.76 3f3f n TYR 112 Ca -0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.58 3f3f n TYR 112 Cb 0.53 -0.41 -0.08 0.00 -0.02 0.00 0.00 39.34 39.35 3f3f n TYR 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3f3f s SER 113 N -3.90 -0.23 -0.16 7.72 0.15 -1.13 -4.19 113.70 111.96 3f3f s SER 113 Ca -0.05 0.14 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 3f3f s SER 113 Cb 0.07 0.33 0.06 0.00 -1.71 0.00 0.00 66.02 64.78 3f3f s SER 113 CO 0.55 -0.45 0.38 0.54 1.20 0.00 0.00 173.24 175.45 3f3f s VAL 114 N -1.30 -0.17 -0.02 4.45 0.11 -1.26 -2.08 120.40 120.14 3f3f s VAL 114 Ca -0.13 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3f3f s VAL 114 Cb -0.05 -0.58 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 3f3f s VAL 114 CO 0.05 0.05 -0.03 -0.54 -3.33 0.00 0.00 175.10 171.30 3f3f s LYS 115 N 1.68 0.45 0.62 1.54 -0.14 -0.45 -4.53 119.74 118.91 3f3f s LYS 115 Ca -0.07 -0.07 -0.14 0.00 -1.36 0.00 0.00 55.97 54.32 3f3f s LYS 115 Cb -0.10 -0.50 -0.02 0.00 -1.68 0.00 0.00 37.83 35.53 3f3f s LYS 115 CO -0.12 -0.01 1.06 -0.06 -0.76 0.00 0.00 175.35 175.46 3f3f s PHE 116 N 0.47 3.00 0.62 3.18 0.08 -1.26 -1.43 117.98 122.63 3f3f s PHE 116 Ca -0.05 1.49 -0.02 0.00 0.12 0.00 0.00 56.93 58.47 3f3f s PHE 116 Cb -0.08 -2.98 0.05 0.00 -0.57 0.00 0.00 43.02 39.43 3f3f s PHE 116 CO -0.01 -1.17 0.88 0.00 -0.10 0.00 0.00 175.22 174.82 3f3f s ALA 117 N -2.61 3.57 0.27 5.36 0.00 -0.58 -4.82 121.76 122.95 3f3f s ALA 117 Ca 0.62 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3f3f s ALA 117 Cb -0.16 -2.31 -0.11 0.00 0.00 0.00 0.00 23.12 20.55 3f3f s ALA 117 CO 0.42 -0.99 1.54 -2.14 0.00 0.00 0.00 175.76 174.59 3f3f s PRO 118 N -4.98 4.17 0.35 0.00 0.02 -1.26 -4.80 135.00 128.51 3f3f s PRO 118 Ca 0.59 2.48 0.16 0.00 0.02 0.00 0.00 61.00 64.24 3f3f s PRO 118 Cb -0.11 -3.06 1.10 0.00 0.02 0.00 0.00 34.50 32.45 3f3f s PRO 118 CO 0.41 -0.56 1.68 0.00 -0.33 0.00 0.00 177.00 178.20 3f3f h ALA 119 N 5.05 2.04 0.00 -1.55 0.00 -1.93 -0.82 119.26 122.04 3f3f h ALA 119 Ca -0.46 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3f3f h ALA 119 Cb 1.22 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3f3f h ALA 119 CO 0.80 -0.61 0.00 -2.39 0.00 0.00 0.00 179.25 177.04 3f3f n HIS 120 N -4.95 0.00 -0.47 0.00 1.44 -1.26 -0.54 115.22 109.44 3f3f n HIS 120 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 3f3f n HIS 120 Cb 0.98 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.09 3f3f n HIS 120 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3f3f n LEU 121 N -0.14 0.66 0.00 2.39 4.77 -0.31 -5.15 117.00 119.22 3f3f n LEU 121 Ca 0.00 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3f3f n LEU 121 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3f3f n LEU 121 CO 0.00 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3f3f n GLY 122 N -0.06 -0.45 3.61 -0.72 0.00 0.30 -4.72 105.19 103.14 3f3f n GLY 122 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3f3f n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f3f s LEU 123 N -1.34 3.67 0.07 0.99 1.02 -1.26 -4.69 118.68 117.14 3f3f s LEU 123 Ca 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 54.13 55.39 3f3f s LEU 123 Cb 0.00 -3.53 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 3f3f s LEU 123 CO 0.00 -1.46 0.05 -0.75 0.02 0.00 0.00 176.35 174.21 3f3f s LYS 124 N 5.07 0.73 0.13 1.70 2.20 -1.26 -1.40 119.74 126.91 3f3f s LYS 124 Ca 0.71 -1.18 -0.25 0.00 -0.36 0.00 0.00 55.97 54.89 3f3f s LYS 124 Cb -0.21 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.44 3f3f s LYS 124 CO 0.31 -0.18 0.83 -0.48 -0.36 0.00 0.00 175.35 175.48 3f3f s LEU 125 N -2.92 -0.31 0.08 5.43 0.05 -0.40 -1.53 118.68 119.07 3f3f s LEU 125 Ca 0.09 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.03 3f3f s LEU 125 Cb 0.07 2.30 -0.04 0.00 -2.05 0.00 0.00 46.19 46.47 3f3f s LEU 125 CO -0.08 -0.91 -0.06 0.00 -0.55 0.00 0.00 176.35 174.75 3f3f s ALA 126 N -3.43 0.79 0.03 1.48 0.00 -0.52 -0.94 121.76 119.17 3f3f s ALA 126 Ca 0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 3f3f s ALA 126 Cb -0.02 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.32 3f3f s ALA 126 CO -0.03 -0.24 0.46 0.00 0.00 0.00 0.00 175.76 175.95 3f3f s LEU 128 N -1.84 0.92 0.00 0.00 2.96 -0.88 -1.44 118.68 118.40 3f3f s LEU 128 Ca -0.07 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.40 3f3f s LEU 128 Cb -0.01 0.94 0.00 0.00 0.50 0.00 0.00 46.19 47.61 3f3f s LEU 128 CO -0.00 -0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3f3f n GLY 129 N 3.00 5.24 0.31 7.98 0.00 -1.26 -1.25 105.19 119.21 3f3f n GLY 129 Ca -0.13 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 3f3f n GLY 129 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3f3f h ASN 130 N 0.00 0.96 0.00 1.61 -0.26 -1.27 -2.20 115.58 114.41 3f3f h ASN 130 Ca 0.00 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 3f3f h ASN 130 Cb 0.00 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.01 3f3f h ASN 130 CO 0.00 0.94 0.01 -0.90 -1.06 0.00 0.00 177.43 176.42 3f3f n ASP 131 N -4.23 0.00 -2.04 5.81 3.85 -1.26 -4.77 116.55 113.91 3f3f n ASP 131 Ca 0.04 0.22 -0.19 0.00 -0.71 0.00 0.00 54.79 54.15 3f3f n ASP 131 Cb 0.27 -0.22 -0.04 0.00 -1.35 0.00 0.00 41.12 39.78 3f3f n ASP 131 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3f3f n GLY 132 N -1.20 0.49 3.09 6.12 0.00 -0.83 -4.82 105.19 108.03 3f3f n GLY 132 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3f3f n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f3f s ILE 133 N -2.79 2.07 0.20 -0.61 1.01 -1.26 -1.31 121.20 118.51 3f3f s ILE 133 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 60.65 59.10 3f3f s ILE 133 Cb 0.00 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 3f3f s ILE 133 CO 0.00 0.25 1.02 -0.22 0.00 0.00 0.00 174.94 176.00 3f3f s LEU 134 N 1.22 4.55 -0.04 2.97 0.20 -0.63 -4.34 118.68 122.61 3f3f s LEU 134 Ca -0.02 2.02 0.02 0.00 0.69 0.00 0.00 54.13 56.85 3f3f s LEU 134 Cb -0.16 -3.61 0.01 0.00 -0.43 0.00 0.00 46.19 42.00 3f3f s LEU 134 CO -0.09 -0.06 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.69 3f3f s ARG 135 N -0.75 1.06 -0.13 1.98 0.52 -0.52 -1.59 118.95 119.54 3f3f s ARG 135 Ca 0.45 -0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.35 3f3f s ARG 135 Cb -0.28 -0.97 -0.03 0.00 0.52 0.00 0.00 34.95 34.19 3f3f s ARG 135 CO 0.34 0.06 -0.00 -0.51 0.02 0.00 0.00 175.30 175.21 3f3f s LEU 136 N 0.41 3.49 0.04 2.53 1.43 -0.59 -2.08 118.68 123.91 3f3f s LEU 136 Ca -0.07 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 3f3f s LEU 136 Cb -0.11 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3f3f s LEU 136 CO 0.01 0.27 -0.23 -0.31 0.23 0.00 0.00 176.35 176.32 3f3f s TYR 137 N -0.24 2.03 -0.04 0.29 2.02 -0.12 0.55 117.35 121.84 3f3f s TYR 137 Ca 0.06 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3f3f s TYR 137 Cb -0.12 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 3f3f s TYR 137 CO 0.02 0.09 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.45 3f3f s ASP 138 N -1.14 1.81 -1.26 2.29 1.11 -0.34 -1.27 116.67 117.87 3f3f s ASP 138 Ca 0.09 -0.29 -0.08 0.00 0.18 0.00 0.00 52.55 52.45 3f3f s ASP 138 Cb -0.09 -0.56 0.18 0.00 1.07 0.00 0.00 42.92 43.52 3f3f s ASP 138 CO 0.02 0.11 1.92 0.00 1.18 0.00 0.00 175.17 178.39 3f3f n ALA 139 N 3.31 5.65 -0.25 5.23 0.00 -0.49 -1.28 120.51 132.67 3f3f n ALA 139 Ca -0.19 -4.35 0.04 0.00 0.00 0.00 0.00 53.44 48.94 3f3f n ALA 139 Cb 0.53 -2.84 0.09 0.00 0.00 0.00 0.00 19.45 17.24 3f3f n ALA 139 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3f3f n LEU 140 N 3.00 -0.27 -4.25 0.00 4.77 -1.24 -3.06 117.00 115.95 3f3f n LEU 140 Ca 0.42 1.21 -0.43 0.00 -0.03 0.00 0.00 56.01 57.18 3f3f n LEU 140 Cb 0.33 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3f3f n LEU 140 CO 0.78 -1.15 0.07 -1.61 -1.33 0.00 0.00 177.39 174.14 3f3f s GLU 141 N -5.87 2.72 0.00 3.23 2.02 -1.26 -4.94 118.70 114.60 3f3f s GLU 141 Ca -0.10 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.05 3f3f s GLU 141 Cb 0.19 -4.07 0.00 0.00 0.10 0.00 0.00 34.13 30.34 3f3f s GLU 141 CO 0.54 -1.24 0.69 -2.30 0.02 0.00 0.00 175.26 172.97 3f3f n PRO 142 N 4.89 0.00 0.06 0.39 -0.02 -1.17 -0.33 135.00 138.81 3f3f n PRO 142 Ca -0.08 0.20 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 3f3f n PRO 142 Cb 0.41 -1.78 -0.15 0.00 -0.02 0.00 0.00 33.50 31.97 3f3f n PRO 142 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3f3f h SER 143 N 0.00 0.51 -2.98 2.55 4.64 -1.92 -3.41 113.55 112.95 3f3f h SER 143 Ca 0.00 -0.82 -0.74 0.00 -0.47 0.00 0.00 61.79 59.76 3f3f h SER 143 Cb 0.55 -0.17 -0.21 0.00 -0.31 0.00 0.00 62.40 62.26 3f3f h SER 143 CO 0.00 1.70 0.60 -1.81 -0.87 0.00 0.00 176.83 176.45 3f3f s ASP 144 N -7.14 6.78 0.00 4.97 1.01 0.55 -4.89 116.67 117.95 3f3f s ASP 144 Ca -0.15 -2.51 -0.00 0.00 0.71 0.00 0.00 52.55 50.60 3f3f s ASP 144 Cb 0.06 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 3f3f s ASP 144 CO 0.84 -0.79 1.78 0.18 0.21 0.00 0.00 175.17 177.39 3f3f n LEU 145 N 5.22 4.66 0.00 1.23 4.77 -1.26 -1.28 117.00 130.35 3f3f n LEU 145 Ca 0.22 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 3f3f n LEU 145 Cb 0.47 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 3f3f n LEU 145 CO 0.45 0.89 -0.02 0.54 -1.33 0.00 0.00 177.39 177.93 3f3f n ARG 146 N 1.59 3.97 -0.63 3.23 1.74 -1.26 -4.68 116.66 120.61 3f3f n ARG 146 Ca 0.01 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.96 3f3f n ARG 146 Cb 0.44 -0.52 -0.06 0.00 -1.02 0.00 0.00 32.46 31.30 3f3f n ARG 146 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3f3f n SER 147 N -0.22 3.75 -4.50 0.55 2.88 -0.40 -4.87 113.62 110.81 3f3f n SER 147 Ca 0.00 -2.16 -0.43 0.00 -1.33 0.00 0.00 58.87 54.95 3f3f n SER 147 Cb 0.01 -0.92 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 3f3f n SER 147 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3f3f s TRP 148 N 2.53 2.82 0.41 0.66 0.52 -1.26 -3.68 118.94 120.94 3f3f s TRP 148 Ca 0.38 -0.18 -0.02 0.00 0.02 0.00 0.00 56.10 56.30 3f3f s TRP 148 Cb 0.15 -4.01 -0.03 0.00 -1.15 0.00 0.00 33.47 28.43 3f3f s TRP 148 CO -0.01 -1.34 0.65 0.99 0.02 0.00 0.00 176.95 177.26 3f3f s THR 149 N 3.73 4.91 -0.35 2.01 2.01 -0.40 -4.89 115.64 122.65 3f3f s THR 149 Ca 0.27 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 3f3f s THR 149 Cb -0.14 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 3f3f s THR 149 CO 0.17 -0.65 0.35 -0.22 -0.69 0.00 0.00 174.62 173.58 3f3f s LEU 150 N -4.51 4.54 0.06 4.42 0.20 -1.26 -1.20 118.68 120.92 3f3f s LEU 150 Ca 0.44 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.90 3f3f s LEU 150 Cb -0.10 -2.30 -0.26 0.00 -0.43 0.00 0.00 46.19 43.10 3f3f s LEU 150 CO 0.40 -0.35 1.06 0.74 -0.29 0.00 0.00 176.35 177.90 3f3f h THR 151 N 5.56 1.41 -2.39 3.68 2.02 -0.22 -3.48 112.91 119.48 3f3f h THR 151 Ca -0.30 -3.04 0.05 0.00 0.77 0.00 0.00 66.41 63.89 3f3f h THR 151 Cb 1.14 2.84 -0.15 0.00 -1.74 0.00 0.00 68.15 70.24 3f3f h THR 151 CO 0.70 0.87 0.39 -0.55 0.37 0.00 0.00 175.52 177.29 3f3f s SER 152 N -6.94 -0.45 -0.05 4.18 0.15 -1.05 -4.95 113.70 104.59 3f3f s SER 152 Ca -0.04 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 3f3f s SER 152 Cb 0.08 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 64.88 3f3f s SER 152 CO 0.86 -0.69 0.10 -1.61 1.20 0.00 0.00 173.24 173.09 3f3f s GLU 153 N -2.92 0.01 -0.02 5.44 2.02 -1.26 -1.55 118.70 120.43 3f3f s GLU 153 Ca 0.02 0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.38 3f3f s GLU 153 Cb -0.01 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.96 3f3f s GLU 153 CO -0.07 -0.21 -0.09 -1.64 0.02 0.00 0.00 175.26 173.26 3f3f s MET 154 N 1.47 0.87 -0.57 1.61 -1.94 -0.62 -4.99 119.30 115.13 3f3f s MET 154 Ca -0.05 -0.31 -0.23 0.00 -1.71 0.00 0.00 55.69 53.38 3f3f s MET 154 Cb -0.12 -0.83 0.05 0.00 2.01 0.00 0.00 34.83 35.94 3f3f s MET 154 CO -0.05 0.15 0.92 0.15 -0.01 0.00 0.00 175.02 176.19 3f3f s LYS 155 N 0.03 3.27 -0.07 2.03 1.02 -1.26 -1.60 119.74 123.16 3f3f s LYS 155 Ca -0.00 -0.41 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 3f3f s LYS 155 Cb -0.06 -4.09 -0.13 0.00 -0.52 0.00 0.00 37.83 33.02 3f3f s LYS 155 CO 0.00 -1.53 0.68 0.28 -0.92 0.00 0.00 175.35 173.86 3f3f h VAL 156 N 6.00 0.73 -0.80 3.17 2.07 -1.57 -3.48 116.25 122.37 3f3f h VAL 156 Ca -0.27 -1.20 -0.61 0.00 0.82 0.00 0.00 66.70 65.44 3f3f h VAL 156 Cb 1.07 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 32.02 3f3f h VAL 156 CO 1.10 0.21 -0.43 -0.76 0.02 0.00 0.00 177.57 177.70 3f3f s LEU 157 N -8.83 2.68 0.00 2.57 1.43 -1.20 -5.03 118.68 110.29 3f3f s LEU 157 Ca -0.11 -1.34 0.18 0.00 -1.03 0.00 0.00 54.13 51.84 3f3f s LEU 157 Cb -0.00 -1.10 0.65 0.00 0.03 0.00 0.00 46.19 45.77 3f3f s LEU 157 CO 0.39 -0.86 1.48 -1.20 0.23 0.00 0.00 176.35 176.40 3f3f n SER 158 N -1.44 1.68 -3.97 2.29 7.64 -1.26 -4.91 113.62 113.64 3f3f n SER 158 Ca -0.07 -1.77 -0.32 0.00 1.01 0.00 0.00 58.87 57.71 3f3f n SER 158 Cb 0.65 -0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3f3f n SER 158 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3f3f n ILE 159 N 0.34 -0.99 1.48 0.44 5.41 -1.26 -4.88 119.36 119.90 3f3f n ILE 159 Ca 0.15 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.04 3f3f n ILE 159 Cb 0.32 -1.68 0.76 0.00 -0.71 0.00 0.00 39.64 38.32 3f3f n ILE 159 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3f3f n PRO 160 N -4.18 0.55 -3.94 0.38 -0.04 -1.26 -4.78 135.00 121.73 3f3f n PRO 160 Ca 0.06 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 3f3f n PRO 160 Cb 0.50 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 3f3f n PRO 160 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3f3f s PRO 161 N -2.41 3.64 0.52 0.54 0.04 -1.26 -5.08 135.00 130.99 3f3f s PRO 161 Ca 0.32 -0.50 -0.22 0.00 0.04 0.00 0.00 61.00 60.64 3f3f s PRO 161 Cb 0.19 -3.18 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 3f3f s PRO 161 CO 0.40 -0.06 1.16 0.00 0.04 0.00 0.00 177.00 178.54 3f3f n ALA 162 N 4.49 0.85 0.16 8.56 0.00 -1.26 -4.70 120.51 128.61 3f3f n ALA 162 Ca -0.17 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.50 3f3f n ALA 162 Cb 0.52 -2.22 0.16 0.00 0.00 0.00 0.00 19.45 17.91 3f3f n ALA 162 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3f3f h ASN 163 N 1.27 0.00 -0.46 0.00 2.35 -1.98 0.52 115.58 117.29 3f3f h ASN 163 Ca -0.48 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.16 3f3f h ASN 163 Cb 1.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 3f3f h ASN 163 CO 0.56 0.00 -0.11 0.45 -1.65 0.00 0.00 177.43 176.68 3f3f h HIS 164 N 0.00 1.00 -3.06 1.19 3.86 -2.02 -3.43 115.15 112.69 3f3f h HIS 164 Ca 0.15 -0.21 -0.57 0.00 -1.16 0.00 0.00 60.37 58.58 3f3f h HIS 164 Cb 2.24 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 30.42 3f3f h HIS 164 CO 0.00 0.98 0.97 -0.51 0.86 0.00 0.00 177.93 180.23 3f3f s LEU 165 N -9.23 3.94 -0.01 2.43 1.43 0.18 -4.85 118.68 112.57 3f3f s LEU 165 Ca -0.12 1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 54.30 3f3f s LEU 165 Cb 0.11 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.79 3f3f s LEU 165 CO 0.84 -1.04 0.06 0.00 0.23 0.00 0.00 176.35 176.43 3f3f n GLN 166 N 7.22 0.00 -3.68 1.70 6.02 -1.26 -4.76 117.38 122.62 3f3f n GLN 166 Ca 0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 3f3f n GLN 166 Cb 0.46 -0.04 -0.16 0.00 1.02 0.00 0.00 30.24 31.52 3f3f n GLN 166 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3f3f s SER 167 N 0.16 3.21 0.02 1.08 1.04 -1.26 -4.98 113.70 112.97 3f3f s SER 167 Ca 0.03 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.43 3f3f s SER 167 Cb -0.04 -0.57 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 3f3f s SER 167 CO 0.02 -0.36 -0.07 -0.62 0.98 0.00 0.00 173.24 173.18 3f3f s ASP 168 N 1.88 4.59 -0.04 7.02 -1.08 -1.26 -5.01 116.67 122.76 3f3f s ASP 168 Ca 0.04 -0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 51.83 3f3f s ASP 168 Cb -0.17 -1.04 0.01 0.00 -1.46 0.00 0.00 42.92 40.26 3f3f s ASP 168 CO -0.17 0.27 0.15 -0.36 0.52 0.00 0.00 175.17 175.57 3f3f s PHE 169 N -1.03 -0.12 0.02 -5.34 0.40 -1.26 -1.57 117.98 109.08 3f3f s PHE 169 Ca 0.18 0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.77 3f3f s PHE 169 Cb -0.11 0.03 -0.01 0.00 0.51 0.00 0.00 43.02 43.44 3f3f s PHE 169 CO 0.09 -0.12 0.04 0.00 0.70 0.00 0.00 175.22 175.92 3f3f s LEU 171 N -1.64 2.50 -0.30 0.00 1.43 -1.26 -1.16 118.68 118.25 3f3f s LEU 171 Ca -0.12 -0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 51.88 3f3f s LEU 171 Cb -0.07 -0.51 0.17 0.00 0.03 0.00 0.00 46.19 45.81 3f3f s LEU 171 CO -0.01 -0.22 1.05 -0.55 0.23 0.00 0.00 176.35 176.84 3f3f s SER 172 N -2.97 -0.48 0.61 2.29 0.15 -0.98 -4.87 113.70 107.45 3f3f s SER 172 Ca 0.16 0.55 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 3f3f s SER 172 Cb -0.01 1.50 -0.02 0.00 -1.71 0.00 0.00 66.02 65.79 3f3f s SER 172 CO 0.03 -0.09 0.98 0.26 1.20 0.00 0.00 173.24 175.62 3f3f s TRP 173 N 2.52 3.47 -0.33 3.44 0.52 -1.26 -0.30 118.94 127.00 3f3f s TRP 173 Ca -0.01 1.02 -0.26 0.00 0.02 0.00 0.00 56.10 56.87 3f3f s TRP 173 Cb -0.06 -2.74 0.01 0.00 -1.15 0.00 0.00 33.47 29.53 3f3f s TRP 173 CO -0.16 -0.77 0.93 0.00 0.02 0.00 0.00 176.95 176.97 3f3f h PRO 175 N 8.21 0.34 -5.11 0.00 0.11 -1.87 -3.44 132.00 130.23 3f3f h PRO 175 Ca -0.23 -0.08 -0.70 0.00 0.11 0.00 0.00 66.00 65.11 3f3f h PRO 175 Cb 1.08 -0.05 0.03 0.00 0.11 0.00 0.00 31.00 32.18 3f3f h PRO 175 CO 0.96 0.45 0.21 0.45 -0.21 0.00 0.00 178.00 179.86 3f3f n SER 176 N -4.26 0.30 0.04 -2.05 2.88 -1.26 -4.88 113.62 104.38 3f3f n SER 176 Ca -0.00 0.99 -0.10 0.00 -1.33 0.00 0.00 58.87 58.43 3f3f n SER 176 Cb 0.27 -0.77 -0.13 0.00 -0.75 0.00 0.00 64.21 62.83 3f3f n SER 176 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3f3f h ARG 177 N 3.05 0.08 -0.90 -1.46 2.43 -1.97 -3.35 114.38 112.27 3f3f h ARG 177 Ca -0.42 -0.13 -0.61 0.00 -0.81 0.00 0.00 59.98 58.01 3f3f h ARG 177 Cb 1.20 0.05 -0.32 0.00 -0.42 0.00 0.00 29.97 30.48 3f3f h ARG 177 CO 0.64 0.91 0.34 1.19 -1.51 0.00 0.00 179.97 181.53 3f3f n PHE 178 N -3.31 2.99 -3.90 2.20 3.01 -1.26 -4.94 117.46 112.25 3f3f n PHE 178 Ca -0.09 -2.67 -0.11 0.00 1.01 0.00 0.00 57.45 55.59 3f3f n PHE 178 Cb 1.00 -1.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.27 3f3f n PHE 178 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3f3f s SER 179 N -2.34 0.07 0.27 4.37 0.15 -1.26 -5.13 113.70 109.83 3f3f s SER 179 Ca 0.60 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.79 3f3f s SER 179 Cb 0.48 0.07 -0.13 0.00 -1.71 0.00 0.00 66.02 64.72 3f3f s SER 179 CO 0.01 -0.12 1.39 -0.81 1.20 0.00 0.00 173.24 174.91 3f3f n PRO 180 N 2.51 2.09 -1.56 5.44 -0.04 -1.26 -4.85 135.00 137.33 3f3f n PRO 180 Ca -0.17 0.74 -0.55 0.00 -0.04 0.00 0.00 63.50 63.49 3f3f n PRO 180 Cb 0.58 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.59 3f3f n PRO 180 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3f3f n GLU 181 N 1.71 0.69 -3.54 0.54 2.13 -1.26 -4.89 120.64 116.03 3f3f n GLU 181 Ca 0.10 0.25 -0.08 0.00 0.66 0.00 0.00 57.16 58.09 3f3f n GLU 181 Cb 0.33 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 30.17 3f3f n GLU 181 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3f3f s LYS 182 N 0.39 0.66 0.02 5.31 -2.85 -1.26 -1.97 119.74 120.04 3f3f s LYS 182 Ca 0.87 -0.17 -0.15 0.00 -1.00 0.00 0.00 55.97 55.52 3f3f s LYS 182 Cb -1.08 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 35.01 3f3f s LYS 182 CO 0.51 -0.27 0.32 -0.48 0.10 0.00 0.00 175.35 175.54 3f3f s LEU 183 N -2.14 0.79 0.06 2.77 0.05 -0.52 -1.41 118.68 118.28 3f3f s LEU 183 Ca 0.05 -0.07 -0.01 0.00 0.05 0.00 0.00 54.13 54.15 3f3f s LEU 183 Cb -0.01 1.39 -0.04 0.00 -2.05 0.00 0.00 46.19 45.48 3f3f s LEU 183 CO -0.06 -0.57 0.22 0.00 -0.55 0.00 0.00 176.35 175.39 3f3f s ALA 184 N -2.15 3.99 -0.05 1.48 0.00 0.60 -0.94 121.76 124.68 3f3f s ALA 184 Ca -0.08 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3f3f s ALA 184 Cb -0.02 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.27 3f3f s ALA 184 CO -0.01 0.81 0.11 0.08 0.00 0.00 0.00 175.76 176.76 3f3f s VAL 185 N -1.50 -0.04 -0.06 0.00 1.01 0.23 -2.32 120.40 117.72 3f3f s VAL 185 Ca 0.35 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.52 3f3f s VAL 185 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3f3f s VAL 185 CO 0.27 0.07 -0.14 -0.94 0.00 0.00 0.00 175.10 174.35 3f3f s SER 186 N 1.00 4.03 -0.34 3.32 1.04 -0.31 0.32 113.70 122.77 3f3f s SER 186 Ca -0.08 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3f3f s SER 186 Cb -0.10 -0.93 0.14 0.00 0.10 0.00 0.00 66.02 65.23 3f3f s SER 186 CO -0.05 0.33 0.28 0.00 0.98 0.00 0.00 173.24 174.78 3f3f s ALA 187 N -0.62 0.12 0.00 5.32 0.00 -0.88 -1.64 121.76 124.06 3f3f s ALA 187 Ca 0.09 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3f3f s ALA 187 Cb -0.11 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3f3f s ALA 187 CO 0.01 -1.98 0.00 1.28 0.00 0.00 0.00 175.76 175.07 3f3f n LEU 188 N 4.52 0.00 0.01 0.00 4.77 -0.61 -2.91 117.00 122.78 3f3f n LEU 188 Ca 0.07 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3f3f n LEU 188 Cb 0.42 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 3f3f n LEU 188 CO 0.08 0.00 -0.30 -0.33 -1.33 0.00 0.00 177.39 175.51 3f3f h GLU 189 N 0.00 0.00 -7.33 3.23 5.08 -1.92 0.02 114.58 113.66 3f3f h GLU 189 Ca 0.00 -0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3f3f h GLU 189 Cb 0.00 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.32 3f3f h GLU 189 CO 0.00 0.67 0.40 -0.65 -1.00 0.00 0.00 179.01 178.42 3f3f s GLN 190 N -2.64 3.36 -0.22 2.33 -1.52 -1.15 -4.61 119.66 115.22 3f3f s GLN 190 Ca -0.03 0.86 -0.05 0.00 -1.95 0.00 0.00 55.36 54.20 3f3f s GLN 190 Cb 0.09 -2.05 0.11 0.00 -0.22 0.00 0.00 33.01 30.94 3f3f s GLN 190 CO 0.82 -0.76 0.41 0.00 -0.25 0.00 0.00 175.29 175.51 3f3f s ALA 191 N -3.05 -1.17 0.10 6.09 0.00 -1.26 -2.08 121.76 120.38 3f3f s ALA 191 Ca 0.57 1.26 0.06 0.00 0.00 0.00 0.00 51.96 53.84 3f3f s ALA 191 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 3f3f s ALA 191 CO 0.52 -1.00 -0.14 0.96 0.00 0.00 0.00 175.76 176.09 3f3f s ILE 192 N 2.59 1.27 -0.12 0.00 -4.36 0.15 -1.39 121.20 119.34 3f3f s ILE 192 Ca 0.06 -1.57 -0.03 0.00 -0.26 0.00 0.00 60.65 58.85 3f3f s ILE 192 Cb -0.14 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 3f3f s ILE 192 CO -0.14 -0.33 -0.02 -0.63 0.24 0.00 0.00 174.94 174.05 3f3f s ILE 193 N -1.79 4.10 0.06 8.37 1.01 -0.13 -0.60 121.20 132.22 3f3f s ILE 193 Ca 0.05 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.45 3f3f s ILE 193 Cb -0.07 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3f3f s ILE 193 CO 0.03 0.54 -0.10 -0.31 0.00 0.00 0.00 174.94 175.10 3f3f s TYR 194 N -0.23 2.76 0.01 3.97 1.51 -0.12 -0.95 117.35 124.30 3f3f s TYR 194 Ca 0.05 -0.13 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 3f3f s TYR 194 Cb -0.13 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 3f3f s TYR 194 CO 0.02 0.38 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.66 3f3f s GLN 195 N -1.81 0.31 0.15 -0.62 0.74 -0.62 -1.43 119.66 116.37 3f3f s GLN 195 Ca 0.19 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.96 3f3f s GLN 195 Cb -0.11 -0.18 -0.08 0.00 1.10 0.00 0.00 33.01 33.75 3f3f s GLN 195 CO 0.10 0.04 1.23 0.50 -0.55 0.00 0.00 175.29 176.61 3f3f s ARG 196 N -0.65 4.45 0.72 1.67 6.06 -0.83 -2.04 118.95 128.33 3f3f s ARG 196 Ca -0.04 1.89 0.01 0.00 -2.50 0.00 0.00 55.73 55.09 3f3f s ARG 196 Cb -0.05 -3.26 0.14 0.00 0.06 0.00 0.00 34.95 31.84 3f3f s ARG 196 CO -0.00 -0.18 0.99 0.20 -2.50 0.00 0.00 175.30 173.81 3f3f s GLY 197 N 0.47 1.74 0.52 8.12 0.00 -0.19 -4.90 107.32 113.08 3f3f s GLY 197 Ca 0.56 -1.89 0.29 0.00 0.00 0.00 0.00 44.72 43.68 3f3f s GLY 197 CO 0.34 -1.29 2.00 0.50 0.00 0.00 0.00 173.10 174.64 3f3f h LYS 198 N -0.48 0.00 -0.33 2.90 1.57 -1.96 -2.19 116.57 116.08 3f3f h LYS 198 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3f3f h LYS 198 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3f3f h LYS 198 CO 0.38 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 3f3f n ASP 199 N -3.37 1.23 -1.15 0.86 5.75 -1.26 -4.90 116.55 113.71 3f3f n ASP 199 Ca -0.01 -2.05 -0.15 0.00 -0.01 0.00 0.00 54.79 52.58 3f3f n ASP 199 Cb 0.30 -0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 3f3f n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f3f n GLY 200 N 0.67 1.50 3.50 6.12 0.00 -0.82 -4.99 105.19 111.16 3f3f n GLY 200 Ca 0.06 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3f3f n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3f s LYS 201 N -3.22 1.80 0.15 1.61 1.02 -1.26 -4.86 119.74 114.98 3f3f s LYS 201 Ca 0.00 -1.41 -0.26 0.00 0.02 0.00 0.00 55.97 54.32 3f3f s LYS 201 Cb 0.00 -2.00 -0.08 0.00 -0.52 0.00 0.00 37.83 35.23 3f3f s LYS 201 CO 0.00 0.41 0.79 -0.51 -0.92 0.00 0.00 175.35 175.12 3f3f s LEU 202 N -2.80 4.57 0.07 3.17 1.43 -1.26 -1.02 118.68 122.84 3f3f s LEU 202 Ca 0.23 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 3f3f s LEU 202 Cb -0.08 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 3f3f s LEU 202 CO 0.13 0.16 -0.11 -1.00 0.23 0.00 0.00 176.35 175.77 3f3f s HIS 203 N -0.92 0.97 -0.26 0.29 3.76 -0.87 -4.96 115.29 113.30 3f3f s HIS 203 Ca 0.37 -0.53 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 3f3f s HIS 203 Cb -0.23 -0.55 0.01 0.00 1.11 0.00 0.00 32.58 32.92 3f3f s HIS 203 CO 0.26 -0.01 1.00 0.08 -0.85 0.00 0.00 174.74 175.22 3f3f s VAL 204 N -1.66 4.67 -1.53 -0.90 1.01 -1.26 -1.58 120.40 119.14 3f3f s VAL 204 Ca -0.03 1.84 0.21 0.00 0.00 0.00 0.00 61.98 64.00 3f3f s VAL 204 Cb -0.08 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.90 3f3f s VAL 204 CO 0.01 -0.24 0.98 0.00 0.00 0.00 0.00 175.10 175.85 3f3f n ALA 205 N 6.39 4.05 0.00 5.51 0.00 -0.12 -4.95 120.51 131.39 3f3f n ALA 205 Ca 0.11 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3f3f n ALA 205 Cb 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3f3f n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f3f n ALA 206 N -0.68 0.00 -2.84 0.00 0.00 -1.21 -4.56 120.51 111.23 3f3f n ALA 206 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 3f3f n ALA 206 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 3f3f n ALA 206 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f3f s LYS 207 N -2.00 0.52 -0.98 0.00 1.02 -1.26 -0.95 119.74 116.08 3f3f s LYS 207 Ca 0.00 -0.66 -0.09 0.00 0.02 0.00 0.00 55.97 55.24 3f3f s LYS 207 Cb 0.00 -0.33 0.25 0.00 -0.52 0.00 0.00 37.83 37.23 3f3f s LYS 207 CO 0.00 0.07 0.94 -0.51 -0.92 0.00 0.00 175.35 174.93 3f3f s LEU 208 N -1.32 6.30 0.79 3.17 1.43 -0.49 -4.98 118.68 123.58 3f3f s LEU 208 Ca -0.08 -3.34 -0.13 0.00 -1.03 0.00 0.00 54.13 49.56 3f3f s LEU 208 Cb -0.09 -2.15 0.07 0.00 0.03 0.00 0.00 46.19 44.05 3f3f s LEU 208 CO 0.00 -0.35 1.16 -2.16 0.23 0.00 0.00 176.35 175.23 3f3f s PRO 209 N -0.84 1.89 0.00 1.29 0.04 -1.26 -4.49 135.00 131.62 3f3f s PRO 209 Ca 0.26 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3f3f s PRO 209 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3f3f s PRO 209 CO -0.09 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.38 3f3f n GLY 210 N -0.07 2.12 3.68 0.56 0.00 -1.26 -5.08 105.19 105.14 3f3f n GLY 210 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3f3f n GLY 210 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f3f s HIS 211 N -1.98 2.66 -0.41 1.61 3.76 -1.26 -4.91 115.29 114.75 3f3f s HIS 211 Ca 0.00 0.64 0.05 0.00 -0.15 0.00 0.00 55.06 55.60 3f3f s HIS 211 Cb 0.00 -3.75 0.50 0.00 1.11 0.00 0.00 32.58 30.44 3f3f s HIS 211 CO 0.00 -2.89 1.61 1.63 -0.85 0.00 0.00 174.74 174.24 3f3f n LYS 212 N 5.67 2.53 -2.17 1.40 5.02 -1.26 -4.89 118.16 124.46 3f3f n LYS 212 Ca 0.14 -3.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 3f3f n LYS 212 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 3f3f n LYS 212 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3f3f n SER 213 N -0.98 0.00 -4.72 4.39 2.88 -1.26 -4.78 113.62 109.15 3f3f n SER 213 Ca 0.47 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.60 3f3f n SER 213 Cb 1.01 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.43 3f3f n SER 213 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3f3f s LEU 214 N 0.00 4.43 -0.50 2.46 1.43 -1.26 -3.60 118.68 121.63 3f3f s LEU 214 Ca 0.00 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.47 3f3f s LEU 214 Cb 0.00 -3.45 0.04 0.00 0.03 0.00 0.00 46.19 42.81 3f3f s LEU 214 CO 0.00 -0.12 0.88 -0.63 0.23 0.00 0.00 176.35 176.72 3f3f s ILE 215 N 0.40 4.50 0.12 -0.59 1.01 -0.00 0.38 121.20 127.02 3f3f s ILE 215 Ca 0.46 0.38 0.11 0.00 0.00 0.00 0.00 60.65 61.59 3f3f s ILE 215 Cb -0.21 -4.45 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 3f3f s ILE 215 CO 0.26 -0.94 1.46 0.03 0.00 0.00 0.00 174.94 175.75 3f3f h ARG 216 N 9.16 0.00 -2.42 2.79 2.47 -1.41 -3.43 114.38 121.54 3f3f h ARG 216 Ca -0.25 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.42 3f3f h ARG 216 Cb 1.08 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.23 3f3f h ARG 216 CO 1.04 0.73 0.17 0.45 0.56 0.00 0.00 179.97 182.91 3f3f s SER 217 N -6.67 -0.59 -0.11 7.04 0.15 -1.11 -4.91 113.70 107.50 3f3f s SER 217 Ca 0.01 0.42 -0.23 0.00 0.70 0.00 0.00 55.95 56.85 3f3f s SER 217 Cb 0.10 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 65.02 3f3f s SER 217 CO 0.77 -0.73 0.56 0.27 1.20 0.00 0.00 173.24 175.32 3f3f s ILE 218 N -2.12 0.01 -0.20 6.45 -4.36 -1.26 -0.79 121.20 118.92 3f3f s ILE 218 Ca -0.07 -0.10 -0.15 0.00 -0.26 0.00 0.00 60.65 60.07 3f3f s ILE 218 Cb -0.00 -0.84 0.06 0.00 1.25 0.00 0.00 42.46 42.92 3f3f s ILE 218 CO 0.02 -0.05 0.52 -0.94 0.24 0.00 0.00 174.94 174.72 3f3f s SER 219 N -0.59 -0.61 0.20 4.36 1.04 -0.69 -4.69 113.70 112.71 3f3f s SER 219 Ca -0.07 1.10 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 3f3f s SER 219 Cb -0.03 1.04 -0.08 0.00 0.10 0.00 0.00 66.02 67.06 3f3f s SER 219 CO 0.05 -0.20 0.93 0.86 0.98 0.00 0.00 173.24 175.86 3f3f s TRP 220 N 0.87 3.94 0.14 5.02 -0.11 -1.26 -1.82 118.94 125.71 3f3f s TRP 220 Ca -0.05 1.86 -0.05 0.00 1.22 0.00 0.00 56.10 59.09 3f3f s TRP 220 Cb -0.05 -2.98 -0.05 0.00 -1.50 0.00 0.00 33.47 28.88 3f3f s TRP 220 CO -0.07 0.40 0.37 0.00 -4.62 0.00 0.00 176.95 173.02 3f3f s ALA 221 N -0.87 3.80 -0.00 5.86 0.00 0.27 -4.81 121.76 126.01 3f3f s ALA 221 Ca 0.42 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 3f3f s ALA 221 Cb -0.25 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.69 3f3f s ALA 221 CO 0.31 0.68 1.71 -2.14 0.00 0.00 0.00 175.76 176.31 3f3f s PRO 222 N -2.62 4.18 -0.64 0.00 0.02 -1.26 -4.60 135.00 130.08 3f3f s PRO 222 Ca 0.40 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.69 3f3f s PRO 222 Cb -0.12 -3.91 0.23 0.00 0.02 0.00 0.00 34.50 30.71 3f3f s PRO 222 CO 0.24 -0.83 2.35 -1.13 -0.33 0.00 0.00 177.00 177.30 3f3f n SER 223 N 6.78 7.04 -4.68 2.53 3.41 -1.26 -4.05 113.62 123.39 3f3f n SER 223 Ca 0.17 -3.53 -0.42 0.00 -0.26 0.00 0.00 58.87 54.83 3f3f n SER 223 Cb 0.42 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.21 3f3f n SER 223 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3f3f s ILE 224 N -3.71 3.50 0.00 -1.33 1.01 -1.26 -2.92 121.20 116.48 3f3f s ILE 224 Ca 0.55 0.81 0.00 0.00 0.00 0.00 0.00 60.65 62.01 3f3f s ILE 224 Cb 0.41 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3f3f s ILE 224 CO -0.29 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.23 3f3f n GLY 225 N 3.90 2.33 3.89 6.18 0.00 -1.26 -5.01 105.19 115.22 3f3f n GLY 225 Ca 0.15 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3f3f n GLY 225 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3f s ARG 226 N 0.00 2.64 -0.06 1.61 0.52 -1.15 -5.00 118.95 117.51 3f3f s ARG 226 Ca 0.00 0.28 0.15 0.00 -0.52 0.00 0.00 55.73 55.64 3f3f s ARG 226 Cb 0.00 -2.05 -0.22 0.00 0.52 0.00 0.00 34.95 33.20 3f3f s ARG 226 CO 0.00 -1.12 0.25 1.87 0.02 0.00 0.00 175.30 176.32 3f3f n TRP 227 N -3.01 0.00 -2.36 -0.53 -0.00 -1.26 -4.94 117.44 105.34 3f3f n TRP 227 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.32 3f3f n TRP 227 Cb 0.58 -0.48 0.09 0.00 -0.00 0.00 0.00 31.31 31.49 3f3f n TRP 227 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 3f3f s TYR 228 N -2.85 2.39 0.16 5.87 1.13 -1.26 -4.87 117.35 117.92 3f3f s TYR 228 Ca -0.06 0.14 0.11 0.00 -1.41 0.00 0.00 57.07 55.85 3f3f s TYR 228 Cb 0.08 -3.16 -0.04 0.00 -1.10 0.00 0.00 41.96 37.74 3f3f s TYR 228 CO 0.64 -1.53 -0.22 -0.65 -2.51 0.00 0.00 175.55 171.28 3f3f s GLN 229 N -5.20 1.59 -0.06 -3.49 -1.52 -0.26 -4.84 119.66 105.88 3f3f s GLN 229 Ca 0.63 -1.39 0.00 0.00 -1.95 0.00 0.00 55.36 52.65 3f3f s GLN 229 Cb -0.08 -1.94 0.02 0.00 -0.22 0.00 0.00 33.01 30.79 3f3f s GLN 229 CO 0.44 0.43 -0.04 -0.51 -0.25 0.00 0.00 175.29 175.36 3f3f s LEU 230 N -2.42 1.13 -0.04 2.90 1.43 -1.26 -0.21 118.68 120.21 3f3f s LEU 230 Ca 0.19 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 3f3f s LEU 230 Cb -0.09 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3f3f s LEU 230 CO 0.09 -0.09 -0.14 0.27 0.23 0.00 0.00 176.35 176.71 3f3f s ILE 231 N 1.30 1.21 0.13 -0.59 -4.36 -0.88 -0.56 121.20 117.45 3f3f s ILE 231 Ca -0.05 -0.58 0.05 0.00 -0.26 0.00 0.00 60.65 59.82 3f3f s ILE 231 Cb -0.14 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 3f3f s ILE 231 CO -0.02 0.36 0.04 0.00 0.24 0.00 0.00 174.94 175.56 3f3f s ALA 232 N 0.20 3.36 -0.01 2.27 0.00 -0.75 -1.45 121.76 125.38 3f3f s ALA 232 Ca -0.06 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.70 3f3f s ALA 232 Cb -0.12 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.81 3f3f s ALA 232 CO 0.02 0.59 0.00 0.95 0.00 0.00 0.00 175.76 177.32 3f3f s THR 233 N -1.55 0.05 -0.42 0.00 -4.23 0.00 -1.70 115.64 107.79 3f3f s THR 233 Ca 0.28 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 3f3f s THR 233 Cb -0.11 -0.09 0.07 0.00 1.34 0.00 0.00 72.50 73.72 3f3f s THR 233 CO 0.20 0.05 0.27 -0.83 -0.54 0.00 0.00 174.62 173.76 3f3f s GLY 234 N 0.32 1.97 0.53 3.99 0.00 0.03 -1.33 107.32 112.83 3f3f s GLY 234 Ca -0.03 -2.10 -0.01 0.00 0.00 0.00 0.00 44.72 42.58 3f3f s GLY 234 CO -0.01 0.97 0.77 0.00 0.00 0.00 0.00 173.10 174.83 3f3f h LYS 236 N 0.10 0.00 0.00 0.00 3.64 -0.35 -1.98 116.57 117.98 3f3f h LYS 236 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3f3f h LYS 236 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3f3f h LYS 236 CO 0.56 0.26 0.00 -0.40 -2.27 0.00 0.00 179.45 177.60 3f3f n ASP 237 N -3.22 0.00 0.00 4.20 5.68 -1.26 -4.05 116.55 117.90 3f3f n ASP 237 Ca 0.02 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 3f3f n ASP 237 Cb 0.58 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 3f3f n ASP 237 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f3f n GLY 238 N 0.07 0.41 3.11 6.12 0.00 -1.13 -4.85 105.19 108.93 3f3f n GLY 238 Ca 0.04 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 3f3f n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3f s ARG 239 N -2.50 1.57 0.02 1.61 0.52 -1.25 -4.16 118.95 114.76 3f3f s ARG 239 Ca 0.00 -0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 3f3f s ARG 239 Cb 0.00 -1.39 -0.06 0.00 0.52 0.00 0.00 34.95 34.02 3f3f s ARG 239 CO 0.00 0.23 0.51 0.42 0.02 0.00 0.00 175.30 176.47 3f3f s ILE 240 N 0.03 4.91 0.00 1.52 1.01 0.07 -1.93 121.20 126.82 3f3f s ILE 240 Ca -0.03 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.71 3f3f s ILE 240 Cb -0.10 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3f3f s ILE 240 CO 0.02 0.52 -0.09 -0.13 0.00 0.00 0.00 174.94 175.25 3f3f s ARG 241 N -0.79 0.72 -0.13 2.79 0.52 -0.44 -1.57 118.95 120.04 3f3f s ARG 241 Ca 0.27 -0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3f3f s ARG 241 Cb -0.18 -0.68 0.03 0.00 0.52 0.00 0.00 34.95 34.64 3f3f s ARG 241 CO 0.16 0.18 -0.09 0.42 0.02 0.00 0.00 175.30 175.99 3f3f s ILE 242 N -0.41 1.19 -0.11 1.52 1.01 -0.95 -0.82 121.20 122.62 3f3f s ILE 242 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3f3f s ILE 242 Cb -0.05 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3f3f s ILE 242 CO -0.00 0.33 -0.01 -0.36 0.00 0.00 0.00 174.94 174.90 3f3f s PHE 243 N 1.63 3.10 -0.24 3.97 0.40 -0.53 -0.01 117.98 126.31 3f3f s PHE 243 Ca 0.04 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 3f3f s PHE 243 Cb -0.13 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 3f3f s PHE 243 CO -0.09 0.27 0.21 0.21 0.70 0.00 0.00 175.22 176.52 3f3f s LYS 244 N -0.37 4.06 -0.20 0.44 2.20 -0.22 -2.07 119.74 123.58 3f3f s LYS 244 Ca 0.07 -0.20 -0.00 0.00 -0.36 0.00 0.00 55.97 55.47 3f3f s LYS 244 Cb -0.12 -3.57 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 3f3f s LYS 244 CO 0.02 -0.01 -0.14 0.42 -0.36 0.00 0.00 175.35 175.28 3f3f s ILE 245 N 1.27 2.49 0.03 5.43 1.01 0.71 -1.20 121.20 130.94 3f3f s ILE 245 Ca 0.09 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.96 3f3f s ILE 245 Cb -0.14 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3f3f s ILE 245 CO 0.06 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.36 3f3f s THR 246 N 1.34 2.53 -0.24 2.92 2.01 -1.06 -1.10 115.64 122.03 3f3f s THR 246 Ca 0.04 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.84 3f3f s THR 246 Cb -0.14 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.39 3f3f s THR 246 CO -0.09 0.39 -0.11 -1.83 -0.69 0.00 0.00 174.62 172.29 3f3f s GLU 247 N -1.23 2.61 -0.00 4.92 -1.05 -1.26 0.13 118.70 122.81 3f3f s GLU 247 Ca 0.13 -1.10 0.01 0.00 -0.15 0.00 0.00 54.97 53.86 3f3f s GLU 247 Cb -0.10 -2.85 -0.02 0.00 -0.44 0.00 0.00 34.13 30.72 3f3f s GLU 247 CO 0.03 -0.43 0.03 1.17 0.95 0.00 0.00 175.26 177.01 3f3f n LYS 248 N 4.56 0.56 0.00 -4.83 4.81 -1.26 -5.01 118.16 116.99 3f3f n LYS 248 Ca -0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 3f3f n LYS 248 Cb 0.46 -1.04 0.00 0.00 0.02 0.00 0.00 35.03 34.47 3f3f n LYS 248 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3f3f n ASN 291 N -1.62 0.00 -4.74 3.14 2.04 -1.26 -5.08 115.26 107.74 3f3f n ASN 291 Ca -0.01 0.00 -0.36 0.00 -0.44 0.00 0.00 54.58 53.77 3f3f n ASN 291 Cb 0.11 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.29 3f3f n ASN 291 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3f3f s LEU 292 N 0.00 4.26 0.19 -4.53 1.43 -1.26 -4.96 118.68 113.81 3f3f s LEU 292 Ca 0.00 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3f3f s LEU 292 Cb 0.00 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 3f3f s LEU 292 CO 0.00 0.14 0.33 -1.10 0.23 0.00 0.00 176.35 175.95 3f3f s GLN 293 N 0.26 3.45 -0.13 1.70 -0.21 0.34 -4.95 119.66 120.12 3f3f s GLN 293 Ca 0.16 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 54.91 3f3f s GLN 293 Cb -0.13 -2.91 0.05 0.00 1.00 0.00 0.00 33.01 31.02 3f3f s GLN 293 CO 0.04 0.46 0.10 0.08 -2.12 0.00 0.00 175.29 173.85 3f3f s VAL 294 N -1.85 -0.12 0.10 1.09 1.01 -1.26 -2.57 120.40 116.80 3f3f s VAL 294 Ca 0.35 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3f3f s VAL 294 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3f3f s VAL 294 CO 0.29 -0.13 0.02 -1.61 0.00 0.00 0.00 175.10 173.67 3f3f s GLU 295 N 2.17 2.61 -0.23 2.72 2.02 -0.34 -4.99 118.70 122.67 3f3f s GLU 295 Ca 0.03 -0.84 -0.07 0.00 0.02 0.00 0.00 54.97 54.11 3f3f s GLU 295 Cb -0.15 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 3f3f s GLU 295 CO -0.08 0.53 0.07 -1.17 0.02 0.00 0.00 175.26 174.64 3f3f s LEU 296 N -2.44 3.57 -0.19 1.80 2.96 -1.26 -1.06 118.68 122.06 3f3f s LEU 296 Ca 0.27 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.89 3f3f s LEU 296 Cb -0.11 -1.94 -0.15 0.00 0.50 0.00 0.00 46.19 44.49 3f3f s LEU 296 CO 0.19 0.03 0.10 -0.07 -1.32 0.00 0.00 176.35 175.29 3f3f h LEU 297 N 7.72 0.00 -8.36 -0.68 3.38 -0.78 -3.47 115.31 113.12 3f3f h LEU 297 Ca -0.37 -0.36 -0.17 0.00 0.09 0.00 0.00 57.88 57.07 3f3f h LEU 297 Cb 1.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 3f3f h LEU 297 CO 0.61 1.30 -0.67 -0.44 0.09 0.00 0.00 178.44 179.32 3f3f s SER 298 N -6.56 0.61 -0.02 -0.43 0.01 -1.19 -4.84 113.70 101.28 3f3f s SER 298 Ca -0.25 -1.07 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 3f3f s SER 298 Cb 0.05 0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.50 3f3f s SER 298 CO 0.49 -0.61 0.05 -1.61 0.41 0.00 0.00 173.24 171.97 3f3f s GLU 299 N -3.94 0.02 -0.09 12.44 2.02 -1.26 -2.24 118.70 125.66 3f3f s GLU 299 Ca 0.14 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 3f3f s GLU 299 Cb 0.07 -0.08 0.04 0.00 0.10 0.00 0.00 34.13 34.26 3f3f s GLU 299 CO -0.05 -0.07 0.20 -1.01 0.02 0.00 0.00 175.26 174.35 3f3f s HIS 300 N 0.47 -0.25 -1.10 1.61 3.76 -0.61 -4.93 115.29 114.24 3f3f s HIS 300 Ca -0.04 0.65 0.11 0.00 -0.15 0.00 0.00 55.06 55.63 3f3f s HIS 300 Cb -0.05 -0.05 0.21 0.00 1.11 0.00 0.00 32.58 33.79 3f3f s HIS 300 CO -0.02 -0.22 1.08 -0.40 -0.85 0.00 0.00 174.74 174.33 3f3f n ASP 301 N 4.44 2.48 -0.13 1.40 5.75 -1.26 -0.75 116.55 128.48 3f3f n ASP 301 Ca -0.22 -1.77 0.23 0.00 -0.01 0.00 0.00 54.79 53.02 3f3f n ASP 301 Cb 0.52 -0.13 0.35 0.00 -1.03 0.00 0.00 41.12 40.83 3f3f n ASP 301 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3f3f n ASP 302 N 0.54 0.00 0.18 -1.12 9.92 -1.26 0.68 116.55 125.49 3f3f n ASP 302 Ca 0.09 0.68 0.07 0.00 -0.53 0.00 0.00 54.79 55.10 3f3f n ASP 302 Cb 0.36 -0.21 0.12 0.00 -0.64 0.00 0.00 41.12 40.75 3f3f n ASP 302 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3f3f h HIS 303 N 0.00 0.00 -6.48 1.24 3.86 -1.84 -3.49 115.15 108.45 3f3f h HIS 303 Ca 0.40 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 59.22 3f3f h HIS 303 Cb 2.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 31.12 3f3f h HIS 303 CO 0.00 0.27 -0.97 0.09 0.86 0.00 0.00 177.93 178.18 3f3f n ASN 304 N -3.18 -5.48 0.00 2.45 3.02 0.21 -4.01 115.26 108.28 3f3f n ASN 304 Ca 0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3f3f n ASN 304 Cb 0.63 -2.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.54 3f3f n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f3f n GLY 305 N -1.26 0.14 3.77 7.41 0.00 -1.26 -4.61 105.19 109.38 3f3f n GLY 305 Ca -0.21 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3f3f n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f3f s GLU 306 N -1.26 4.30 -0.42 1.61 2.02 -1.26 -3.47 118.70 120.22 3f3f s GLU 306 Ca 0.00 2.09 -0.17 0.00 0.02 0.00 0.00 54.97 56.91 3f3f s GLU 306 Cb 0.00 -2.99 0.02 0.00 0.10 0.00 0.00 34.13 31.27 3f3f s GLU 306 CO 0.00 -0.18 0.42 0.08 0.02 0.00 0.00 175.26 175.59 3f3f s VAL 307 N -1.20 5.12 -0.08 2.63 1.01 -0.76 -2.04 120.40 125.07 3f3f s VAL 307 Ca 0.50 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3f3f s VAL 307 Cb -0.37 -4.03 -0.29 0.00 0.00 0.00 0.00 36.38 31.69 3f3f s VAL 307 CO 0.48 -0.42 0.73 -0.50 0.00 0.00 0.00 175.10 175.39 3f3f h TRP 308 N 8.72 0.46 -4.20 5.22 4.06 -1.12 -3.36 115.95 125.72 3f3f h TRP 308 Ca -0.27 -0.33 -0.68 0.00 2.06 0.00 0.00 58.89 59.67 3f3f h TRP 308 Cb 1.11 -0.02 -0.31 0.00 -1.00 0.00 0.00 29.16 28.94 3f3f h TRP 308 CO 0.61 1.40 -0.88 0.45 -3.56 0.00 0.00 178.44 176.46 3f3f s SER 309 N -6.96 2.97 -0.07 -3.49 0.15 -1.11 -4.10 113.70 101.09 3f3f s SER 309 Ca -0.17 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 3f3f s SER 309 Cb 0.02 -0.65 0.03 0.00 -1.71 0.00 0.00 66.02 63.71 3f3f s SER 309 CO 0.79 0.26 -0.03 -0.69 1.20 0.00 0.00 173.24 174.77 3f3f s VAL 310 N -0.30 0.57 0.07 4.45 1.01 -1.26 -1.10 120.40 123.84 3f3f s VAL 310 Ca 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 3f3f s VAL 310 Cb -0.12 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3f3f s VAL 310 CO 0.02 0.28 -0.07 -0.55 0.00 0.00 0.00 175.10 174.78 3f3f s SER 311 N 1.64 0.95 0.35 3.32 0.15 -0.25 -4.60 113.70 115.26 3f3f s SER 311 Ca 0.01 -0.82 0.09 0.00 0.70 0.00 0.00 55.95 55.92 3f3f s SER 311 Cb -0.13 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.21 3f3f s SER 311 CO -0.04 -0.38 0.02 0.26 1.20 0.00 0.00 173.24 174.29 3f3f s TRP 312 N -2.76 2.54 1.28 3.44 0.52 -1.26 0.54 118.94 123.24 3f3f s TRP 312 Ca 0.03 -0.46 -0.21 0.00 0.02 0.00 0.00 56.10 55.47 3f3f s TRP 312 Cb -0.01 -1.52 0.32 0.00 -1.15 0.00 0.00 33.47 31.12 3f3f s TRP 312 CO -0.03 0.47 1.09 -1.71 0.02 0.00 0.00 176.95 176.78 3f3f n ASN 313 N -0.96 -2.35 0.11 2.95 4.05 -0.22 -4.92 115.26 113.92 3f3f n ASN 313 Ca -0.04 -1.15 0.10 0.00 0.45 0.00 0.00 54.58 53.93 3f3f n ASN 313 Cb 0.63 -1.02 0.01 0.00 1.23 0.00 0.00 39.78 40.63 3f3f n ASN 313 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 177.26 174.38 3f3f h LEU 314 N 0.00 0.00 -1.21 1.20 8.10 -1.99 -3.28 115.31 118.14 3f3f h LEU 314 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.57 3f3f h LEU 314 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.51 3f3f h LEU 314 CO 0.27 0.10 -0.25 0.35 -4.11 0.00 0.00 178.44 174.80 3f3f n THR 315 N -2.78 0.00 -2.38 0.15 -2.24 -1.26 -4.83 114.28 100.94 3f3f n THR 315 Ca -0.01 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.26 3f3f n THR 315 Cb 0.59 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 3f3f n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f3f n GLY 316 N 1.18 -0.15 0.07 3.38 0.00 -1.24 -4.45 105.19 103.98 3f3f n GLY 316 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3f3f n GLY 316 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f3f n THR 317 N -4.02 0.84 -4.56 2.61 -1.04 -1.26 -4.87 114.28 101.98 3f3f n THR 317 Ca -0.13 -0.69 -0.22 0.00 -2.04 0.00 0.00 64.05 60.97 3f3f n THR 317 Cb 0.61 -0.36 -0.14 0.00 -1.82 0.00 0.00 70.33 68.61 3f3f n THR 317 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3f3f s ILE 318 N -2.97 1.20 -0.04 12.58 1.01 -1.26 -4.47 121.20 127.25 3f3f s ILE 318 Ca -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 59.81 3f3f s ILE 318 Cb 0.09 -1.03 -0.01 0.00 0.01 0.00 0.00 42.46 41.52 3f3f s ILE 318 CO 0.85 0.20 -0.21 -0.22 0.00 0.00 0.00 174.94 175.56 3f3f s LEU 319 N -0.71 2.00 0.12 2.97 2.96 -0.25 -1.06 118.68 124.71 3f3f s LEU 319 Ca 0.04 -0.41 0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3f3f s LEU 319 Cb -0.07 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3f3f s LEU 319 CO 0.00 0.22 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.17 3f3f s SER 320 N -0.21 4.10 -0.05 3.68 1.04 0.19 0.27 113.70 122.72 3f3f s SER 320 Ca 0.00 -0.50 -0.05 0.00 0.48 0.00 0.00 55.95 55.88 3f3f s SER 320 Cb -0.11 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.36 3f3f s SER 320 CO 0.02 0.17 0.15 -0.94 0.98 0.00 0.00 173.24 173.62 3f3f s SER 321 N -2.22 -0.13 0.03 7.02 1.04 -0.59 -1.09 113.70 117.77 3f3f s SER 321 Ca 0.20 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.87 3f3f s SER 321 Cb -0.11 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 3f3f s SER 321 CO 0.12 -0.10 -0.06 0.00 0.98 0.00 0.00 173.24 174.18 3f3f s ALA 322 N -0.14 0.38 0.00 5.32 0.00 -0.26 -0.22 121.76 126.85 3f3f s ALA 322 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3f3f s ALA 322 Cb -0.02 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3f3f s ALA 322 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3f3f n GLY 323 N 1.76 2.78 0.29 0.00 0.00 -1.16 -0.57 105.19 108.31 3f3f n GLY 323 Ca -0.21 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.00 3f3f n GLY 323 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f3f h ASP 324 N 0.00 0.36 0.00 1.61 3.32 -1.70 -0.85 116.42 119.16 3f3f h ASP 324 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3f3f h ASP 324 Cb 0.00 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3f3f h ASP 324 CO 0.00 0.12 0.01 -0.90 -1.72 0.00 0.00 179.24 176.75 3f3f n ASP 325 N -4.97 0.00 -2.20 6.45 5.68 -1.26 -4.76 116.55 115.49 3f3f n ASP 325 Ca 0.17 0.09 -0.17 0.00 -0.50 0.00 0.00 54.79 54.38 3f3f n ASP 325 Cb 0.47 -0.09 0.02 0.00 -1.14 0.00 0.00 41.12 40.38 3f3f n ASP 325 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f3f n GLY 326 N -1.05 -0.26 3.15 6.12 0.00 -0.32 -4.90 105.19 107.92 3f3f n GLY 326 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 3f3f n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3f s LYS 327 N -5.24 0.79 -0.11 1.61 1.02 -1.26 -2.70 119.74 113.86 3f3f s LYS 327 Ca 0.16 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 3f3f s LYS 327 Cb -0.07 -0.77 -0.02 0.00 -0.52 0.00 0.00 37.83 36.45 3f3f s LYS 327 CO 0.20 0.17 -0.08 0.08 -0.92 0.00 0.00 175.35 174.81 3f3f s VAL 328 N -1.19 3.56 -0.03 3.17 1.01 0.49 -2.97 120.40 124.44 3f3f s VAL 328 Ca -0.02 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.52 3f3f s VAL 328 Cb -0.09 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3f3f s VAL 328 CO 0.02 0.54 -0.24 -0.13 0.00 0.00 0.00 175.10 175.29 3f3f s ARG 329 N -0.08 2.17 -0.14 2.72 0.52 0.70 0.22 118.95 125.05 3f3f s ARG 329 Ca 0.00 -0.87 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 3f3f s ARG 329 Cb -0.13 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 3f3f s ARG 329 CO 0.03 0.46 -0.00 -0.51 0.02 0.00 0.00 175.30 175.29 3f3f s LEU 330 N -0.39 3.49 -0.04 2.53 1.43 -0.44 -1.54 118.68 123.73 3f3f s LEU 330 Ca 0.04 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3f3f s LEU 330 Cb -0.11 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3f3f s LEU 330 CO 0.01 0.24 -0.22 0.26 0.23 0.00 0.00 176.35 176.87 3f3f s TRP 331 N -0.08 2.11 0.25 0.29 0.52 0.14 -0.41 118.94 121.77 3f3f s TRP 331 Ca 0.04 -0.57 0.11 0.00 0.02 0.00 0.00 56.10 55.69 3f3f s TRP 331 Cb -0.13 -1.39 -0.05 0.00 -1.15 0.00 0.00 33.47 30.76 3f3f s TRP 331 CO 0.02 -0.16 -0.14 0.15 0.02 0.00 0.00 176.95 176.84 3f3f s LYS 332 N -0.18 1.86 0.04 4.98 -0.14 -0.53 -1.09 119.74 124.68 3f3f s LYS 332 Ca -0.01 -1.59 -0.15 0.00 -1.36 0.00 0.00 55.97 52.85 3f3f s LYS 332 Cb -0.12 -1.92 -0.06 0.00 -1.68 0.00 0.00 37.83 34.05 3f3f s LYS 332 CO 0.02 0.36 0.47 0.00 -0.76 0.00 0.00 175.35 175.44 3f3f s ALA 333 N -2.27 3.66 1.09 5.17 0.00 -1.26 -0.69 121.76 127.46 3f3f s ALA 333 Ca 0.29 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 3f3f s ALA 333 Cb -0.06 -2.45 0.25 0.00 0.00 0.00 0.00 23.12 20.85 3f3f s ALA 333 CO 0.16 0.47 1.21 0.99 0.00 0.00 0.00 175.76 178.58 3f3f s THR 334 N -1.16 1.79 0.20 0.00 2.01 0.57 -4.88 115.64 114.17 3f3f s THR 334 Ca 0.28 0.00 0.21 0.00 0.31 0.00 0.00 61.69 62.49 3f3f s THR 334 Cb -0.17 -2.73 0.19 0.00 0.01 0.00 0.00 72.50 69.79 3f3f s THR 334 CO 0.16 0.00 1.81 0.22 -0.69 0.00 0.00 174.62 176.12 3f3f h TYR 335 N -2.13 0.00 -0.00 4.92 3.20 -1.98 -2.29 116.97 118.68 3f3f h TYR 335 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3f3f h TYR 335 Cb 1.27 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.54 3f3f h TYR 335 CO -1.67 0.29 -0.15 -1.13 -1.64 0.00 0.00 178.16 173.85 3f3f n SER 336 N -3.54 0.63 0.00 -2.11 3.41 -1.26 -4.92 113.62 105.83 3f3f n SER 336 Ca -0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 3f3f n SER 336 Cb 0.44 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3f3f n SER 336 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3f3f n ASN 337 N -0.87 -2.49 -4.68 4.04 2.85 -0.86 -5.06 115.26 108.19 3f3f n ASN 337 Ca 0.14 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.35 3f3f n ASN 337 Cb 0.30 -0.42 0.10 0.00 1.24 0.00 0.00 39.78 41.01 3f3f n ASN 337 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 3f3f s GLU 338 N -1.00 1.71 -0.04 1.20 2.56 -1.26 -4.77 118.70 117.11 3f3f s GLU 338 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 54.97 54.46 3f3f s GLU 338 Cb 0.00 -2.16 -0.01 0.00 2.00 0.00 0.00 34.13 33.96 3f3f s GLU 338 CO 0.00 -1.54 -0.23 -0.06 -0.56 0.00 0.00 175.26 172.87 3f3f s PHE 339 N -3.33 2.20 -0.03 5.30 0.40 -1.26 -0.31 117.98 120.94 3f3f s PHE 339 Ca 0.65 -0.59 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 3f3f s PHE 339 Cb -0.08 -1.44 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 3f3f s PHE 339 CO 0.46 -0.16 -0.22 0.21 0.70 0.00 0.00 175.22 176.21 3f3f s LYS 340 N -0.22 1.95 -0.51 0.44 2.20 0.14 -4.94 119.74 118.80 3f3f s LYS 340 Ca -0.00 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.55 3f3f s LYS 340 Cb -0.12 -1.78 -0.00 0.00 -1.51 0.00 0.00 37.83 34.41 3f3f s LYS 340 CO 0.02 0.41 1.61 0.00 -0.36 0.00 0.00 175.35 177.04 3f3f n MET 342 N 8.70 0.93 0.00 0.00 0.00 0.45 -4.94 117.12 122.26 3f3f n MET 342 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.54 3f3f n MET 342 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.22 3f3f n MET 342 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3f3f n SER 343 N -0.75 0.00 -3.87 3.17 3.41 -1.21 -4.98 113.62 109.39 3f3f n SER 343 Ca 0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.49 3f3f n SER 343 Cb 0.26 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 3f3f n SER 343 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3f3f s VAL 344 N -2.00 1.18 0.14 -3.33 1.01 -1.26 -1.32 120.40 114.82 3f3f s VAL 344 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 3f3f s VAL 344 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 3f3f s VAL 344 CO 0.00 -0.14 0.48 -0.63 0.00 0.00 0.00 175.10 174.81 3f3f s ILE 345 N 1.56 4.98 0.15 2.22 1.01 0.13 -4.93 121.20 126.33 3f3f s ILE 345 Ca -0.04 0.55 0.01 0.00 0.00 0.00 0.00 60.65 61.17 3f3f s ILE 345 Cb -0.18 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 3f3f s ILE 345 CO -0.07 0.18 0.04 1.07 0.00 0.00 0.00 174.94 176.16 3f3f n THR 346 N 0.59 0.00 -0.36 2.92 5.66 -1.26 -0.38 114.28 121.44 3f3f n THR 346 Ca -0.05 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.13 3f3f n THR 346 Cb 0.52 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.56 3f3f n THR 346 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02