#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3f n HIS 1 N 0.00 -0.16 -2.24 0.54 -0.00 -1.26 -4.98 115.22 107.11 3f3f n HIS 1 Ca 0.00 0.07 -0.27 0.00 -0.00 0.00 0.00 57.72 57.52 3f3f n HIS 1 Cb 0.00 -1.63 0.01 0.00 -0.00 0.00 0.00 29.99 28.37 3f3f n HIS 1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3f3f n MET 1 N -0.65 3.45 -2.80 1.57 2.81 -1.26 -4.91 117.12 115.32 3f3f n MET 1 Ca 0.00 -4.30 -0.39 0.00 -1.81 0.00 0.00 57.70 51.21 3f3f n MET 1 Cb 0.16 -2.26 -0.06 0.00 -0.71 0.00 0.00 33.22 30.35 3f3f n MET 1 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3f3f s GLN 2 N -3.60 4.71 1.06 0.03 -0.21 -1.26 -5.04 119.66 115.35 3f3f s GLN 2 Ca 0.50 1.38 -0.12 0.00 0.02 0.00 0.00 55.36 57.14 3f3f s GLN 2 Cb 0.41 -3.09 0.23 0.00 1.00 0.00 0.00 33.01 31.55 3f3f s GLN 2 CO -0.11 0.43 1.07 -2.14 -2.12 0.00 0.00 175.29 172.43 3f3f s PRO 3 N -1.52 -0.10 0.10 2.91 0.02 -1.26 -5.02 135.00 130.12 3f3f s PRO 3 Ca 0.44 1.11 -0.13 0.00 0.02 0.00 0.00 61.00 62.44 3f3f s PRO 3 Cb -0.23 -1.63 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3f3f s PRO 3 CO 0.28 -3.26 0.30 -0.59 -0.33 0.00 0.00 177.00 173.41 3f3f s PHE 4 N -2.55 -0.05 0.11 6.54 -0.12 -1.26 -5.15 117.98 115.50 3f3f s PHE 4 Ca 0.68 -0.29 -0.27 0.00 -0.05 0.00 0.00 56.93 57.00 3f3f s PHE 4 Cb -0.24 0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 3f3f s PHE 4 CO 0.62 -0.61 0.83 -0.51 -0.05 0.00 0.00 175.22 175.50 3f3f s ASP 5 N -2.72 7.37 0.10 1.98 1.01 -1.26 -4.96 116.67 118.18 3f3f s ASP 5 Ca 0.03 1.63 -0.13 0.00 0.71 0.00 0.00 52.55 54.78 3f3f s ASP 5 Cb 0.03 -2.52 -0.14 0.00 1.01 0.00 0.00 42.92 41.29 3f3f s ASP 5 CO -0.10 0.06 1.32 0.77 0.21 0.00 0.00 175.17 177.42 3f3f h SER 6 N 5.18 0.90 0.00 0.27 4.64 -2.03 -3.47 113.55 119.03 3f3f h SER 6 Ca -0.45 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 3f3f h SER 6 Cb 1.21 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3f3f h SER 6 CO 0.70 1.35 0.00 0.61 -0.87 0.00 0.00 176.83 178.62 3f3f n GLY 7 N 0.62 1.07 3.84 -0.77 0.00 -1.26 -5.04 105.19 103.64 3f3f n GLY 7 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 3.63 -0.13 1.61 3.76 -1.26 -5.01 115.29 115.88 3f3f s HIS 8 Ca 0.00 1.04 -0.06 0.00 -0.15 0.00 0.00 55.06 55.89 3f3f s HIS 8 Cb 0.00 -2.35 -0.25 0.00 1.11 0.00 0.00 32.58 31.09 3f3f s HIS 8 CO 0.00 0.46 0.32 -0.25 -0.85 0.00 0.00 174.74 174.42 3f3f n ASP 9 N 0.94 2.10 -4.95 1.40 8.00 -1.26 -4.93 116.55 117.84 3f3f n ASP 9 Ca -0.06 0.18 -0.20 0.00 0.71 0.00 0.00 54.79 55.42 3f3f n ASP 9 Cb 0.52 -0.82 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 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 -6.99 5.86 0.28 -2.24 -1.08 -1.26 -5.01 116.67 106.23 3f3f s ASP 10 Ca -0.23 -0.22 -0.28 0.00 -0.52 0.00 0.00 52.55 51.30 3f3f s ASP 10 Cb 0.07 -1.26 -0.14 0.00 -1.46 0.00 0.00 42.92 40.12 3f3f s ASP 10 CO 0.76 -0.36 0.95 0.00 0.52 0.00 0.00 175.17 177.04 3f3f n LEU 11 N -1.54 1.43 -4.74 -1.34 -0.00 -1.26 -4.32 117.00 105.23 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 -1.25 -0.06 0.00 -0.00 0.00 0.00 43.42 42.70 3f3f n LEU 11 CO 0.42 -1.60 0.22 -0.69 -0.00 0.00 0.00 177.39 175.74 3f3f s VAL 12 N -1.06 5.10 -0.24 1.47 1.01 -1.26 -1.11 120.40 124.30 3f3f s VAL 12 Ca 0.59 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 3f3f s VAL 12 Cb -0.72 -3.86 -0.18 0.00 0.00 0.00 0.00 36.38 31.62 3f3f s VAL 12 CO 0.59 0.36 -0.15 1.41 0.00 0.00 0.00 175.10 177.31 3f3f n HIS 13 N 3.33 0.23 -3.91 5.22 8.25 -0.50 -4.98 115.22 122.85 3f3f n HIS 13 Ca -0.07 0.06 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 3f3f n HIS 13 Cb 0.51 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.49 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 -6.80 0.08 -0.03 0.41 2.15 -1.20 -5.00 116.67 106.28 3f3f s ASP 14 Ca -0.34 -0.23 0.03 0.00 0.43 0.00 0.00 52.55 52.44 3f3f s ASP 14 Cb 0.10 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.87 3f3f s ASP 14 CO 0.60 -0.26 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.54 3f3f s VAL 15 N -1.08 0.95 0.00 1.11 1.01 -1.26 -2.67 120.40 118.45 3f3f s VAL 15 Ca -0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3f3f s VAL 15 Cb -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3f3f s VAL 15 CO 0.00 0.29 0.00 -0.69 0.00 0.00 0.00 175.10 174.70 3f3f s VAL 16 N 0.12 0.04 0.20 2.92 1.01 -0.51 -4.97 120.40 119.20 3f3f s VAL 16 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 3f3f s VAL 16 Cb -0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 3f3f s VAL 16 CO 0.01 -0.16 0.52 -0.31 0.00 0.00 0.00 175.10 175.16 3f3f s TYR 17 N -0.47 3.47 0.23 5.22 2.02 -1.26 -0.33 117.35 126.24 3f3f s TYR 17 Ca -0.05 0.86 -0.04 0.00 -0.37 0.00 0.00 57.07 57.47 3f3f s TYR 17 Cb -0.03 -2.24 0.05 0.00 -0.40 0.00 0.00 41.96 39.34 3f3f s TYR 17 CO -0.00 0.33 0.30 -0.40 -1.57 0.00 0.00 175.55 174.21 3f3f n ASP 18 N 0.12 -0.14 -0.19 2.29 3.85 -0.46 -4.73 116.55 117.28 3f3f n ASP 18 Ca -0.01 -1.05 -0.08 0.00 -0.71 0.00 0.00 54.79 52.93 3f3f n ASP 18 Cb 0.52 -0.24 0.02 0.00 -1.35 0.00 0.00 41.12 40.07 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 -1.26 0.85 -0.00 2.11 3.57 -1.91 -3.14 116.94 117.16 3f3f h PHE 19 Ca -0.10 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.32 3f3f h PHE 19 Cb 0.28 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3f3f h PHE 19 CO 0.00 0.72 -0.04 0.66 -2.23 0.00 0.00 178.31 177.41 3f3f n TYR 20 N -4.48 0.00 -0.96 0.41 4.02 -1.26 -4.91 117.16 109.98 3f3f n TYR 20 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3f3f n TYR 20 Cb 0.19 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 1.27 0.62 0.64 2.72 0.00 -1.19 -4.87 105.19 104.38 3f3f n GLY 21 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.15 1.61 -4.11 1.61 5.12 -1.26 -4.90 116.66 112.59 3f3f n ARG 22 Ca 0.00 -1.28 -0.14 0.00 -1.93 0.00 0.00 57.85 54.50 3f3f n ARG 22 Cb 0.04 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 29.76 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 -2.27 0.85 -0.00 -1.55 3.76 -1.26 -1.89 115.29 112.92 3f3f s HIS 23 Ca 0.24 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 3f3f s HIS 23 Cb 0.19 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.40 3f3f s HIS 23 CO 0.45 -0.05 -0.00 0.08 -0.85 0.00 0.00 174.74 174.37 3f3f s VAL 24 N -1.63 0.03 -0.11 -0.90 1.01 -0.75 -1.36 120.40 116.69 3f3f s VAL 24 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3f3f s VAL 24 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3f3f s VAL 24 CO 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.02 3f3f s ALA 25 N 0.18 2.74 -0.01 5.51 0.00 0.56 0.07 121.76 130.81 3f3f s ALA 25 Ca -0.01 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.12 3f3f s ALA 25 Cb -0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3f3f s ALA 25 CO -0.01 0.35 -0.22 0.99 0.00 0.00 0.00 175.76 176.87 3f3f s THR 26 N -0.01 1.78 -0.02 0.00 2.01 0.26 -1.43 115.64 118.23 3f3f s THR 26 Ca -0.02 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.98 3f3f s THR 26 Cb -0.14 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3f3f s THR 26 CO 0.04 0.47 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 3f3f n SER 28 N 3.70 1.27 0.22 0.00 3.41 -1.16 -1.42 113.62 119.65 3f3f n SER 28 Ca -0.22 -1.87 0.11 0.00 -0.26 0.00 0.00 58.87 56.63 3f3f n SER 28 Cb 0.53 0.37 0.39 0.00 -0.26 0.00 0.00 64.21 65.25 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 0.62 0.00 0.00 4.04 0.02 -1.31 -2.06 113.55 114.87 3f3f h SER 29 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3f3f h SER 29 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3f3f h SER 29 CO 0.21 0.18 0.00 -0.90 -1.14 0.00 0.00 176.83 175.18 3f3f n ASP 30 N -3.25 0.45 -3.80 3.07 5.68 -1.26 -4.11 116.55 113.32 3f3f n ASP 30 Ca 0.01 -1.22 -0.28 0.00 -0.50 0.00 0.00 54.79 52.80 3f3f n ASP 30 Cb 0.46 -0.23 0.05 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.02 -6.42 -4.29 0.11 6.02 -1.16 -4.97 117.38 106.70 3f3f n GLN 31 Ca 0.00 0.68 -0.20 0.00 -0.01 0.00 0.00 57.00 57.47 3f3f n GLN 31 Cb 0.11 -5.63 -0.11 0.00 1.02 0.00 0.00 30.24 25.63 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 -3.31 1.60 -0.15 1.08 3.76 -1.26 -1.46 115.29 115.55 3f3f s HIS 32 Ca 0.64 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3f3f s HIS 32 Cb -0.31 -0.81 0.03 0.00 1.11 0.00 0.00 32.58 32.60 3f3f s HIS 32 CO 0.79 0.23 -0.12 0.42 -0.85 0.00 0.00 174.74 175.22 3f3f s ILE 33 N -2.14 1.45 0.02 0.60 1.01 -0.44 -2.97 121.20 118.73 3f3f s ILE 33 Ca 0.12 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3f3f s ILE 33 Cb -0.05 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3f3f s ILE 33 CO 0.05 0.37 -0.08 -0.54 0.00 0.00 0.00 174.94 174.74 3f3f s LYS 34 N 1.52 2.49 -0.12 2.79 1.02 0.98 -2.57 119.74 125.85 3f3f s LYS 34 Ca 0.04 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.27 3f3f s LYS 34 Cb -0.14 -2.46 0.02 0.00 -0.52 0.00 0.00 37.83 34.73 3f3f s LYS 34 CO -0.10 0.59 -0.16 0.08 -0.92 0.00 0.00 175.35 174.85 3f3f s VAL 35 N -1.02 1.59 0.03 3.17 1.01 0.26 0.93 120.40 126.37 3f3f s VAL 35 Ca 0.17 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3f3f s VAL 35 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 3f3f s VAL 35 CO 0.08 0.46 0.02 -0.36 0.00 0.00 0.00 175.10 175.30 3f3f s PHE 36 N 1.12 3.10 -0.04 5.22 0.40 0.11 0.10 117.98 127.99 3f3f s PHE 36 Ca -0.03 0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 3f3f s PHE 36 Cb -0.14 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 3f3f s PHE 36 CO -0.04 0.48 -0.13 0.21 0.70 0.00 0.00 175.22 176.44 3f3f s LYS 37 N -1.84 2.50 -0.86 0.44 2.20 -0.41 -1.81 119.74 119.96 3f3f s LYS 37 Ca 0.22 -0.70 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 3f3f s LYS 37 Cb -0.12 -2.40 0.22 0.00 -1.51 0.00 0.00 37.83 34.02 3f3f s LYS 37 CO 0.14 0.62 0.82 -1.17 -0.36 0.00 0.00 175.35 175.40 3f3f s LEU 38 N -0.84 6.61 -0.08 5.43 2.96 -0.79 -0.69 118.68 131.27 3f3f s LEU 38 Ca 0.12 -2.71 -0.38 0.00 -0.22 0.00 0.00 54.13 50.95 3f3f s LEU 38 Cb -0.11 -2.22 -0.16 0.00 0.50 0.00 0.00 46.19 44.20 3f3f s LEU 38 CO 0.01 -0.59 1.56 -0.67 -1.32 0.00 0.00 176.35 175.35 3f3f n ASP 39 N 4.08 2.14 0.30 3.68 2.03 -0.95 -4.89 116.55 122.94 3f3f n ASP 39 Ca 0.15 1.09 -0.17 0.00 0.52 0.00 0.00 54.79 56.38 3f3f n ASP 39 Cb 0.47 -1.19 -0.09 0.00 -0.72 0.00 0.00 41.12 39.59 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 6.06 -0.85 0.00 -0.67 1.57 -1.95 -3.28 116.57 117.44 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 1.32 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3f3f h LYS 40 CO 0.87 -0.57 0.00 -0.25 -0.57 0.00 0.00 179.45 178.93 3f3f n ASP 41 N -5.51 0.00 -4.44 0.86 8.00 -1.26 -4.16 116.55 110.05 3f3f n ASP 41 Ca -0.12 0.90 -0.44 0.00 0.71 0.00 0.00 54.79 55.85 3f3f n ASP 41 Cb 0.40 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.61 4.54 0.00 -3.53 -4.23 -1.25 -4.92 115.64 103.64 3f3f s THR 42 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3f3f s THR 42 Cb 0.00 -4.56 0.00 0.00 1.34 0.00 0.00 72.50 69.28 3f3f s THR 42 CO 0.00 -1.24 0.63 -1.20 -0.54 0.00 0.00 174.62 172.27 3f3f n SER 43 N 7.10 0.00 -4.48 3.99 7.64 -1.23 -4.31 113.62 122.32 3f3f n SER 43 Ca -0.05 -1.51 -0.27 0.00 1.01 0.00 0.00 58.87 58.05 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 3.43 3.75 -0.11 6.43 -0.87 -1.26 -4.95 114.94 121.36 3f3f s ASN 44 Ca 0.00 -0.77 -0.18 0.00 -1.57 0.00 0.00 52.86 50.34 3f3f s ASN 44 Cb 0.00 -0.43 -0.04 0.00 -0.02 0.00 0.00 41.25 40.76 3f3f s ASN 44 CO 0.00 0.11 0.46 0.26 -2.57 0.00 0.00 177.10 175.36 3f3f s TRP 45 N -1.75 3.53 -0.02 2.20 0.52 -1.26 -2.25 118.94 119.90 3f3f s TRP 45 Ca 0.23 0.88 0.00 0.00 0.02 0.00 0.00 56.10 57.24 3f3f s TRP 45 Cb -0.08 -2.52 0.03 0.00 -1.15 0.00 0.00 33.47 29.74 3f3f s TRP 45 CO 0.12 0.20 0.01 -1.21 0.02 0.00 0.00 176.95 176.10 3f3f s GLU 46 N 0.49 0.14 -0.23 4.98 2.02 0.14 -4.95 118.70 121.29 3f3f s GLU 46 Ca 0.25 0.11 -0.41 0.00 0.02 0.00 0.00 54.97 54.95 3f3f s GLU 46 Cb -0.15 -0.35 -0.17 0.00 0.10 0.00 0.00 34.13 33.56 3f3f s GLU 46 CO 0.10 -0.14 1.62 -0.11 0.02 0.00 0.00 175.26 176.75 3f3f n LEU 47 N 4.07 1.94 0.00 1.80 7.94 -1.26 -1.29 117.00 130.20 3f3f n LEU 47 Ca -0.26 1.11 -0.21 0.00 -1.11 0.00 0.00 56.01 55.53 3f3f n LEU 47 Cb 0.51 -1.10 -0.14 0.00 0.53 0.00 0.00 43.42 43.22 3f3f n LEU 47 CO 0.23 -0.68 -0.82 -0.24 -1.11 0.00 0.00 177.39 174.77 3f3f n SER 48 N 4.45 2.13 -3.62 1.96 2.88 0.28 -4.74 113.62 116.96 3f3f n SER 48 Ca 0.25 0.20 -0.07 0.00 -1.33 0.00 0.00 58.87 57.93 3f3f n SER 48 Cb 0.11 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 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 -7.04 -0.25 0.10 -3.46 3.68 -1.01 -0.73 116.67 107.97 3f3f s ASP 49 Ca -0.23 0.36 0.05 0.00 2.13 0.00 0.00 52.55 54.87 3f3f s ASP 49 Cb 0.07 0.32 -0.03 0.00 -1.45 0.00 0.00 42.92 41.82 3f3f s ASP 49 CO 0.77 -0.17 -0.13 -0.55 0.13 0.00 0.00 175.17 175.21 3f3f s SER 50 N -0.62 1.81 -0.17 -0.34 0.15 -1.26 -0.57 113.70 112.70 3f3f s SER 50 Ca 0.03 -0.76 -0.30 0.00 0.70 0.00 0.00 55.95 55.63 3f3f s SER 50 Cb -0.02 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.37 3f3f s SER 50 CO -0.05 -0.15 1.06 -1.66 1.20 0.00 0.00 173.24 173.64 3f3f s TRP 51 N -1.95 -0.30 0.01 3.44 -2.14 -1.06 -3.89 118.94 113.05 3f3f s TRP 51 Ca 0.05 0.48 -0.30 0.00 2.66 0.00 0.00 56.10 58.99 3f3f s TRP 51 Cb -0.06 0.47 -0.03 0.00 -3.10 0.00 0.00 33.47 30.74 3f3f s TRP 51 CO 0.02 -0.30 0.97 0.50 -2.66 0.00 0.00 176.95 175.48 3f3f s ARG 52 N -1.33 4.58 0.00 3.25 3.52 -1.26 -1.33 118.95 126.37 3f3f s ARG 52 Ca 0.01 1.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 3f3f s ARG 52 Cb -0.01 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3f3f s ARG 52 CO -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 175.30 174.47 3f3f n ALA 53 N 3.73 1.29 -2.14 6.12 0.00 -0.54 -4.94 120.51 124.03 3f3f n ALA 53 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 3f3f n ALA 53 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.21 0.76 -0.85 0.00 3.76 -1.24 -5.03 115.29 111.49 3f3f s HIS 54 Ca 0.00 -1.07 0.26 0.00 -0.15 0.00 0.00 55.06 54.10 3f3f s HIS 54 Cb 0.00 -0.48 0.73 0.00 1.11 0.00 0.00 32.58 33.94 3f3f s HIS 54 CO 0.00 -0.34 1.61 -0.25 -0.85 0.00 0.00 174.74 174.91 3f3f n ASP 55 N -0.01 0.48 -2.73 1.40 8.00 -1.26 -4.77 116.55 117.66 3f3f n ASP 55 Ca -0.11 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 3f3f n ASP 55 Cb 0.62 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.83 0.94 -4.67 -2.24 2.88 -1.26 -5.00 113.62 102.44 3f3f n SER 56 Ca 0.05 -2.19 -0.42 0.00 -1.33 0.00 0.00 58.87 54.97 3f3f n SER 56 Cb 0.38 0.61 -0.03 0.00 -0.75 0.00 0.00 64.21 64.42 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 -1.82 4.10 -4.59 -3.46 2.88 -1.26 -4.33 113.62 105.15 3f3f n SER 57 Ca -0.02 0.93 -0.42 0.00 -1.33 0.00 0.00 58.87 58.03 3f3f n SER 57 Cb 0.34 -1.53 -0.05 0.00 -0.75 0.00 0.00 64.21 62.22 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 3.84 4.70 -0.21 2.46 1.01 -0.78 -1.68 121.20 130.54 3f3f s ILE 58 Ca 0.87 0.94 -0.08 0.00 0.00 0.00 0.00 60.65 62.38 3f3f s ILE 58 Cb -0.46 -4.24 -0.20 0.00 0.01 0.00 0.00 42.46 37.57 3f3f s ILE 58 CO 0.41 -0.46 0.03 0.52 0.00 0.00 0.00 174.94 175.44 3f3f n VAL 59 N 5.83 1.61 -4.33 2.92 0.31 -0.46 -3.82 118.33 120.38 3f3f n VAL 59 Ca 0.04 -0.47 -0.24 0.00 -0.01 0.00 0.00 64.34 63.65 3f3f n VAL 59 Cb 0.48 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.50 3.20 0.25 3.52 0.00 -1.11 -3.98 121.76 121.14 3f3f s ALA 60 Ca -0.30 -1.94 -0.20 0.00 0.00 0.00 0.00 51.96 49.51 3f3f s ALA 60 Cb 0.09 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.83 3f3f s ALA 60 CO 0.64 0.08 0.66 -1.50 0.00 0.00 0.00 175.76 175.64 3f3f s ILE 61 N -2.51 0.00 0.00 0.00 2.07 -1.26 -2.55 121.20 116.95 3f3f s ILE 61 Ca 0.35 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 3f3f s ILE 61 Cb -0.01 -1.80 0.00 0.00 0.13 0.00 0.00 42.46 40.78 3f3f s ILE 61 CO 0.19 -0.01 0.00 -0.67 -1.91 0.00 0.00 174.94 172.54 3f3f n ASP 62 N -0.43 0.00 -4.92 4.50 2.03 -0.82 -4.88 116.55 112.04 3f3f n ASP 62 Ca -0.07 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.93 3f3f n ASP 62 Cb 0.61 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.96 3f3f n ASP 62 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3f3f s TRP 63 N -1.47 3.51 0.47 -0.67 0.52 -1.26 -0.90 118.94 119.13 3f3f s TRP 63 Ca 0.00 0.31 0.02 0.00 0.02 0.00 0.00 56.10 56.45 3f3f s TRP 63 Cb 0.00 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.52 3f3f s TRP 63 CO 0.00 0.56 0.68 0.00 0.02 0.00 0.00 176.95 178.21 3f3f s ALA 64 N -1.54 3.89 0.36 0.98 0.00 -0.42 -4.77 121.76 120.25 3f3f s ALA 64 Ca 0.36 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.83 3f3f s ALA 64 Cb -0.13 -2.05 -0.11 0.00 0.00 0.00 0.00 23.12 20.83 3f3f s ALA 64 CO 0.27 -0.46 1.47 0.45 0.00 0.00 0.00 175.76 177.50 3f3f n SER 65 N -2.11 3.65 0.30 0.00 2.88 -1.26 -4.75 113.62 112.33 3f3f n SER 65 Ca 0.04 1.22 0.17 0.00 -1.33 0.00 0.00 58.87 58.97 3f3f n SER 65 Cb 0.58 -1.60 0.92 0.00 -0.75 0.00 0.00 64.21 63.36 3f3f n SER 65 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3f3f h PRO 66 N 3.06 0.00 -0.08 -1.46 0.11 -1.96 -1.69 132.00 129.98 3f3f h PRO 66 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3f3f h PRO 66 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3f3f h PRO 66 CO 0.65 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 3f3f n GLU 67 N -2.81 0.93 0.00 1.05 0.28 -1.26 -2.25 120.64 116.58 3f3f n GLU 67 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 3f3f n GLU 67 Cb 0.20 -1.04 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 -0.46 0.00 0.00 -1.84 4.01 -0.64 -5.13 117.16 113.11 3f3f n TYR 68 Ca 0.00 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3f3f n TYR 68 Cb 0.02 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.17 -1.27 3.37 2.72 0.00 -0.95 -4.83 105.19 104.06 3f3f n GLY 69 Ca 0.00 -2.11 -0.45 0.00 0.00 0.00 0.00 46.02 43.46 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 3.20 -0.04 1.61 1.81 -1.26 -4.42 118.95 119.85 3f3f s ARG 70 Ca 0.00 -1.61 0.03 0.00 -1.72 0.00 0.00 55.73 52.42 3f3f s ARG 70 Cb 0.00 -4.38 0.01 0.00 -0.45 0.00 0.00 34.95 30.13 3f3f s ARG 70 CO 0.00 -1.51 -0.11 0.42 -0.68 0.00 0.00 175.30 173.42 3f3f s ILE 71 N 2.14 1.01 0.16 1.52 1.01 -1.26 -1.81 121.20 123.96 3f3f s ILE 71 Ca 0.14 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.45 3f3f s ILE 71 Cb -0.20 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3f3f s ILE 71 CO 0.01 0.31 -0.25 -0.63 0.00 0.00 0.00 174.94 174.39 3f3f s ILE 72 N 0.40 2.23 0.01 2.92 1.01 -0.53 -1.31 121.20 125.94 3f3f s ILE 72 Ca -0.08 -1.88 0.05 0.00 0.00 0.00 0.00 60.65 58.74 3f3f s ILE 72 Cb -0.12 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 3f3f s ILE 72 CO 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 174.94 174.77 3f3f s ALA 73 N -1.42 1.20 0.03 9.38 0.00 -0.08 -0.84 121.76 130.04 3f3f s ALA 73 Ca 0.17 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3f3f s ALA 73 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3f3f s ALA 73 CO 0.08 0.27 -0.09 -1.54 0.00 0.00 0.00 175.76 174.48 3f3f s SER 74 N -0.62 1.09 -0.06 0.00 1.04 0.09 -1.95 113.70 113.29 3f3f s SER 74 Ca 0.04 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.14 3f3f s SER 74 Cb -0.06 -0.05 -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 0.00 173.24 173.97 3f3f s ALA 75 N -0.83 1.90 0.28 5.32 0.00 -1.06 -0.89 121.76 126.48 3f3f s ALA 75 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3f3f s ALA 75 Cb -0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 22.37 3f3f s ALA 75 CO 0.01 0.34 0.06 0.45 0.00 0.00 0.00 175.76 176.61 3f3f s SER 76 N 0.00 1.86 0.00 0.00 0.15 -0.84 -1.36 113.70 113.52 3f3f s SER 76 Ca -0.06 -1.34 0.22 0.00 0.70 0.00 0.00 55.95 55.46 3f3f s SER 76 Cb -0.14 0.02 1.01 0.00 -1.71 0.00 0.00 66.02 65.20 3f3f s SER 76 CO 0.04 -0.63 1.70 -1.22 1.20 0.00 0.00 173.24 174.33 3f3f n TYR 77 N -0.55 0.00 0.77 3.44 0.53 -0.68 -1.65 117.16 119.02 3f3f n TYR 77 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.85 3f3f n TYR 77 Cb 0.66 -0.40 0.03 0.00 -1.03 0.00 0.00 39.34 38.61 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 -1.40 2.26 -0.76 7.72 5.75 -1.26 -4.38 116.55 124.49 3f3f n ASP 78 Ca 0.08 -2.14 -0.10 0.00 -0.01 0.00 0.00 54.79 52.62 3f3f n ASP 78 Cb 0.21 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.19 -1.74 -4.50 0.11 5.02 -1.13 -4.97 118.16 111.14 3f3f n LYS 79 Ca 0.05 0.83 -0.24 0.00 -2.02 0.00 0.00 58.31 56.93 3f3f n LYS 79 Cb 0.49 -5.25 -0.11 0.00 -0.02 0.00 0.00 35.03 30.14 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 -1.81 1.86 -0.07 -0.18 -4.23 -1.26 -4.29 115.64 105.66 3f3f s THR 80 Ca 0.00 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.40 3f3f s THR 80 Cb 0.00 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.22 3f3f s THR 80 CO 0.00 -0.19 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.14 3f3f s VAL 81 N -2.85 0.80 0.09 2.29 1.01 -1.14 -1.98 120.40 118.62 3f3f s VAL 81 Ca 0.32 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.17 3f3f s VAL 81 Cb 0.05 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3f3f s VAL 81 CO 0.15 0.30 -0.23 -0.54 0.00 0.00 0.00 175.10 174.78 3f3f s LYS 82 N 1.16 1.71 -0.05 2.72 1.02 -0.07 -1.46 119.74 124.75 3f3f s LYS 82 Ca -0.06 -1.19 0.04 0.00 0.02 0.00 0.00 55.97 54.78 3f3f s LYS 82 Cb -0.14 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 3f3f s LYS 82 CO -0.01 0.49 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.22 3f3f s LEU 83 N -1.80 2.52 0.07 3.17 1.43 -1.19 -0.73 118.68 122.15 3f3f s LEU 83 Ca 0.15 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 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 0.06 0.31 -0.13 0.26 0.23 0.00 0.00 176.35 177.08 3f3f s TRP 84 N -0.51 1.11 -0.07 0.29 0.52 -0.02 0.73 118.94 121.00 3f3f s TRP 84 Ca 0.07 -0.47 0.02 0.00 0.02 0.00 0.00 56.10 55.73 3f3f s TRP 84 Cb -0.12 -0.63 0.01 0.00 -1.15 0.00 0.00 33.47 31.59 3f3f s TRP 84 CO 0.01 0.03 -0.12 -2.00 0.02 0.00 0.00 176.95 174.90 3f3f s GLU 85 N -1.75 1.66 0.14 4.98 2.12 -0.78 -1.45 118.70 123.62 3f3f s GLU 85 Ca -0.03 -0.39 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 3f3f s GLU 85 Cb -0.10 -1.39 -0.08 0.00 0.26 0.00 0.00 34.13 32.83 3f3f s GLU 85 CO 0.02 0.01 1.30 -2.00 -0.54 0.00 0.00 175.26 174.05 3f3f s GLU 86 N 0.71 4.38 -0.55 4.30 2.12 -0.75 -2.07 118.70 126.84 3f3f s GLU 86 Ca -0.14 1.98 -0.10 0.00 0.36 0.00 0.00 54.97 57.07 3f3f s GLU 86 Cb -0.16 -3.25 0.14 0.00 0.26 0.00 0.00 34.13 31.12 3f3f s GLU 86 CO 0.03 -0.30 0.44 0.34 -0.54 0.00 0.00 175.26 175.23 3f3f s ASP 87 N 0.75 5.87 0.12 -1.70 2.15 -0.12 -4.86 116.67 118.89 3f3f s ASP 87 Ca 0.60 -2.13 0.06 0.00 0.43 0.00 0.00 52.55 51.50 3f3f s ASP 87 Cb -0.35 -2.05 0.32 0.00 -0.30 0.00 0.00 42.92 40.54 3f3f s ASP 87 CO 0.33 -0.66 1.06 -0.81 -0.17 0.00 0.00 175.17 174.92 3f3f n PRO 88 N 4.64 0.04 -0.93 4.34 -0.04 -1.26 -2.44 135.00 139.34 3f3f n PRO 88 Ca -0.04 0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 63.67 3f3f n PRO 88 Cb 0.41 -1.80 0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.64 4.71 -4.01 3.54 8.00 -1.26 -4.88 116.55 121.01 3f3f n ASP 89 Ca -0.00 -3.21 -0.13 0.00 0.71 0.00 0.00 54.79 52.16 3f3f n ASP 89 Cb 0.18 -0.84 -0.12 0.00 -0.02 0.00 0.00 41.12 40.32 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 -2.42 0.44 0.49 -1.24 -1.52 -1.02 -5.14 119.66 109.25 3f3f s GLN 90 Ca 0.42 -0.54 -0.22 0.00 -1.95 0.00 0.00 55.36 53.07 3f3f s GLN 90 Cb 0.34 -0.25 -0.07 0.00 -0.22 0.00 0.00 33.01 32.81 3f3f s GLN 90 CO 0.05 0.05 1.18 -1.21 -0.25 0.00 0.00 175.29 175.11 3f3f s GLU 91 N -1.08 3.57 0.43 2.91 2.02 -1.26 -4.95 118.70 120.34 3f3f s GLU 91 Ca -0.07 1.80 -0.23 0.00 0.02 0.00 0.00 54.97 56.49 3f3f s GLU 91 Cb -0.07 -2.29 -0.08 0.00 0.10 0.00 0.00 34.13 31.78 3f3f s GLU 91 CO 0.00 -0.71 1.08 -1.21 0.02 0.00 0.00 175.26 174.43 3f3f s GLU 92 N -2.86 3.99 0.00 1.61 2.02 -1.26 -2.70 118.70 119.50 3f3f s GLU 92 Ca 0.67 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.22 3f3f s GLU 92 Cb -0.29 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.51 3f3f s GLU 92 CO 0.35 -0.30 0.00 0.00 0.02 0.00 0.00 175.26 175.33 3f3f h SER 94 N 0.00 0.00 0.00 0.00 4.64 -1.80 -3.45 113.55 112.94 3f3f h SER 94 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f3f h SER 94 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3f3f h SER 94 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3f3f n GLY 95 N 0.43 1.40 0.64 -0.77 0.00 -1.25 -4.80 105.19 100.83 3f3f n GLY 95 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.61 0.03 1.61 1.74 -1.26 -4.72 116.66 113.66 3f3f n ARG 96 Ca 0.00 -3.30 0.11 0.00 -0.77 0.00 0.00 57.85 53.89 3f3f n ARG 96 Cb 0.00 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.12 0.44 -4.01 5.56 0.63 -1.26 -4.82 116.66 112.08 3f3f n ARG 97 Ca 0.20 -0.04 -0.31 0.00 -0.92 0.00 0.00 57.85 56.78 3f3f n ARG 97 Cb 0.72 -1.61 -0.16 0.00 0.45 0.00 0.00 32.46 31.86 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 -3.31 2.48 -0.13 -0.14 0.52 -1.26 -0.94 118.94 116.15 3f3f s TRP 98 Ca -0.00 -1.64 -0.19 0.00 0.02 0.00 0.00 56.10 54.29 3f3f s TRP 98 Cb 0.13 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 3f3f s TRP 98 CO 0.84 -0.75 0.53 -0.80 0.02 0.00 0.00 176.95 176.78 3f3f s ASN 99 N 1.37 6.70 0.21 2.95 -0.87 -0.88 -4.84 114.94 119.59 3f3f s ASN 99 Ca -0.01 0.84 -0.32 0.00 -1.57 0.00 0.00 52.86 51.80 3f3f s ASN 99 Cb -0.16 -2.31 -0.12 0.00 -0.02 0.00 0.00 41.25 38.64 3f3f s ASN 99 CO -0.08 -0.07 1.70 -0.75 -2.57 0.00 0.00 177.10 175.33 3f3f s LYS 100 N 0.95 4.13 -0.01 -0.60 2.20 -1.26 -1.86 119.74 123.28 3f3f s LYS 100 Ca 0.27 2.59 0.20 0.00 -0.36 0.00 0.00 55.97 58.67 3f3f s LYS 100 Cb -0.16 -3.08 -0.26 0.00 -1.51 0.00 0.00 37.83 32.83 3f3f s LYS 100 CO 0.11 -0.74 0.69 1.28 -0.36 0.00 0.00 175.35 176.34 3f3f n LEU 101 N 3.91 0.56 0.00 5.43 4.77 0.22 -4.92 117.00 126.97 3f3f n LEU 101 Ca 0.15 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 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 0.64 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.84 3f3f s THR 103 N -2.00 -0.01 -0.29 0.00 2.01 -1.26 -3.15 115.64 110.94 3f3f s THR 103 Ca 0.00 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.03 3f3f s THR 103 Cb 0.00 -0.20 0.05 0.00 0.01 0.00 0.00 72.50 72.35 3f3f s THR 103 CO 0.00 0.02 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.18 3f3f s LEU 104 N 0.34 3.78 0.00 4.42 1.43 -0.54 -4.97 118.68 123.15 3f3f s LEU 104 Ca -0.02 -1.21 0.19 0.00 -1.03 0.00 0.00 54.13 52.06 3f3f s LEU 104 Cb -0.03 -1.70 0.09 0.00 0.03 0.00 0.00 46.19 44.57 3f3f s LEU 104 CO -0.01 -0.24 1.04 -0.46 0.23 0.00 0.00 176.35 176.90 3f3f n ASN 105 N 4.63 2.28 -0.28 2.29 6.94 -1.26 -2.86 115.26 126.99 3f3f n ASN 105 Ca -0.14 -1.64 0.29 0.00 -0.02 0.00 0.00 54.58 53.07 3f3f n ASN 105 Cb 0.44 0.17 0.66 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 3.09 0.16 -3.43 0.53 5.19 -1.93 -3.41 116.42 116.62 3f3f h ASP 106 Ca 0.00 0.03 -0.52 0.00 -0.62 0.00 0.00 57.03 55.92 3f3f h ASP 106 Cb 0.72 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.27 3f3f h ASP 106 CO 0.00 0.04 0.66 -0.55 -3.12 0.00 0.00 179.24 176.26 3f3f s SER 107 N -5.33 6.87 -0.04 6.45 0.15 -1.26 -4.91 113.70 115.62 3f3f s SER 107 Ca -0.06 2.45 0.15 0.00 0.70 0.00 0.00 55.95 59.19 3f3f s SER 107 Cb 0.23 -2.61 0.48 0.00 -1.71 0.00 0.00 66.02 62.41 3f3f s SER 107 CO 0.79 -0.54 1.40 2.29 1.20 0.00 0.00 173.24 178.39 3f3f n LYS 108 N 2.43 3.01 -4.06 5.44 2.85 -1.26 -4.85 118.16 121.72 3f3f n LYS 108 Ca 0.06 -2.43 -0.08 0.00 -1.05 0.00 0.00 58.31 54.81 3f3f n LYS 108 Cb 0.42 -1.52 -0.09 0.00 -0.65 0.00 0.00 35.03 33.20 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 -1.11 0.52 0.80 2.58 0.00 -1.26 -4.85 107.32 104.01 3f3f s GLY 109 Ca 0.36 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.79 3f3f s GLY 109 CO 0.20 -1.21 0.84 1.44 0.00 0.00 0.00 173.10 174.37 3f3f n SER 110 N 0.02 -0.22 -4.58 1.64 7.64 -1.26 -4.37 113.62 112.49 3f3f n SER 110 Ca -0.12 0.55 -0.34 0.00 1.01 0.00 0.00 58.87 59.97 3f3f n SER 110 Cb 0.62 -1.36 -0.11 0.00 -1.01 0.00 0.00 64.21 62.35 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 -3.05 3.27 -0.07 -3.43 1.43 -0.66 -0.80 118.68 115.36 3f3f s LEU 111 Ca 0.68 -0.02 0.13 0.00 -1.03 0.00 0.00 54.13 53.89 3f3f s LEU 111 Cb -0.30 -1.74 -0.19 0.00 0.03 0.00 0.00 46.19 43.99 3f3f s LEU 111 CO 0.56 0.31 0.19 -1.22 0.23 0.00 0.00 176.35 176.42 3f3f n TYR 112 N 2.60 0.00 -3.75 0.29 4.02 -0.27 -4.21 117.16 115.84 3f3f n TYR 112 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 3f3f n TYR 112 Cb 0.53 -0.46 -0.08 0.00 -0.02 0.00 0.00 39.34 39.30 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 -4.05 -0.20 -0.17 7.72 0.15 -1.12 -4.27 113.70 111.76 3f3f s SER 113 Ca -0.06 0.09 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 3f3f s SER 113 Cb 0.07 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.76 3f3f s SER 113 CO 0.56 -0.46 0.39 0.54 1.20 0.00 0.00 173.24 175.47 3f3f s VAL 114 N -1.40 -0.20 -0.03 4.45 0.11 -1.26 -2.05 120.40 120.02 3f3f s VAL 114 Ca -0.13 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3f3f s VAL 114 Cb -0.05 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 3f3f s VAL 114 CO 0.04 0.05 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.30 3f3f s LYS 115 N 1.75 0.46 0.67 1.54 -0.14 -0.57 -4.51 119.74 118.94 3f3f s LYS 115 Ca -0.07 -0.01 -0.14 0.00 -1.36 0.00 0.00 55.97 54.39 3f3f s LYS 115 Cb -0.10 -0.56 0.00 0.00 -1.68 0.00 0.00 37.83 35.50 3f3f s LYS 115 CO -0.12 -0.08 1.10 -0.06 -0.76 0.00 0.00 175.35 175.43 3f3f s PHE 116 N 0.82 2.65 0.58 3.18 0.08 -1.26 -1.52 117.98 122.50 3f3f s PHE 116 Ca -0.09 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 3f3f s PHE 116 Cb -0.12 -3.14 0.04 0.00 -0.57 0.00 0.00 43.02 39.23 3f3f s PHE 116 CO -0.01 -1.65 0.82 0.00 -0.10 0.00 0.00 175.22 174.28 3f3f s ALA 117 N -2.43 3.69 0.27 5.36 0.00 -0.70 -4.81 121.76 123.14 3f3f s ALA 117 Ca 0.66 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3f3f s ALA 117 Cb -0.20 -2.22 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 3f3f s ALA 117 CO 0.43 -0.84 1.59 -2.14 0.00 0.00 0.00 175.76 174.80 3f3f s PRO 118 N -4.86 4.15 0.36 0.00 0.02 -1.26 -4.79 135.00 128.61 3f3f s PRO 118 Ca 0.57 2.53 0.17 0.00 0.02 0.00 0.00 61.00 64.29 3f3f s PRO 118 Cb -0.10 -3.05 1.14 0.00 0.02 0.00 0.00 34.50 32.51 3f3f s PRO 118 CO 0.40 -0.62 1.66 0.00 -0.33 0.00 0.00 177.00 178.12 3f3f h ALA 119 N 5.23 2.08 0.00 -1.55 0.00 -1.93 -0.82 119.26 122.27 3f3f h ALA 119 Ca -0.46 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3f3f h ALA 119 Cb 1.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3f3f h ALA 119 CO 0.82 -0.69 0.00 -2.39 0.00 0.00 0.00 179.25 176.99 3f3f n HIS 120 N -4.99 0.00 -0.51 0.00 1.44 -1.26 -0.53 115.22 109.38 3f3f n HIS 120 Ca 0.32 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 3f3f n HIS 120 Cb 1.04 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.15 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 -0.07 0.70 0.00 2.39 4.77 -0.31 -5.15 117.00 119.33 3f3f n LEU 121 Ca 0.00 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3f3f n LEU 121 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 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 -0.10 -0.67 3.61 -0.72 0.00 0.31 -4.70 105.19 102.92 3f3f n GLY 122 Ca 0.00 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.03 3.64 0.10 0.99 1.02 -1.26 -4.70 118.68 116.43 3f3f s LEU 123 Ca 0.00 1.40 -0.02 0.00 0.02 0.00 0.00 54.13 55.53 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 -1.55 0.05 -0.75 0.02 0.00 0.00 176.35 174.13 3f3f s LYS 124 N 5.30 0.82 0.09 1.70 2.20 -1.26 -1.58 119.74 127.01 3f3f s LYS 124 Ca 0.77 -1.30 -0.26 0.00 -0.36 0.00 0.00 55.97 54.81 3f3f s LYS 124 Cb -0.23 0.25 0.08 0.00 -1.51 0.00 0.00 37.83 36.42 3f3f s LYS 124 CO 0.33 -0.22 0.90 -0.48 -0.36 0.00 0.00 175.35 175.52 3f3f s LEU 125 N -2.98 -0.28 0.10 5.43 0.05 -0.55 -1.72 118.68 118.73 3f3f s LEU 125 Ca 0.16 -0.22 0.01 0.00 0.05 0.00 0.00 54.13 54.13 3f3f s LEU 125 Cb 0.07 2.15 -0.04 0.00 -2.05 0.00 0.00 46.19 46.32 3f3f s LEU 125 CO -0.04 -0.81 -0.05 0.00 -0.55 0.00 0.00 176.35 174.91 3f3f s ALA 126 N -3.27 0.92 0.04 1.48 0.00 -0.58 -1.10 121.76 119.26 3f3f s ALA 126 Ca 0.09 -1.35 -0.21 0.00 0.00 0.00 0.00 51.96 50.48 3f3f s ALA 126 Cb -0.01 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.41 3f3f s ALA 126 CO -0.03 -0.28 0.49 0.00 0.00 0.00 0.00 175.76 175.93 3f3f s LEU 128 N -1.96 0.90 0.00 0.00 2.96 -0.87 -1.39 118.68 118.32 3f3f s LEU 128 Ca -0.05 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 3f3f s LEU 128 Cb -0.01 1.00 0.00 0.00 0.50 0.00 0.00 46.19 47.68 3f3f s LEU 128 CO -0.02 -0.12 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3f3f n GLY 129 N 2.84 5.20 0.31 7.98 0.00 -1.26 -1.11 105.19 119.14 3f3f n GLY 129 Ca -0.13 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 0.94 0.00 1.61 -0.26 -1.19 -2.31 115.58 114.37 3f3f h ASN 130 Ca 0.00 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.52 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 0.96 0.02 -0.90 -1.06 0.00 0.00 177.43 176.44 3f3f n ASP 131 N -4.22 0.00 -2.03 5.81 3.85 -1.26 -4.77 116.55 113.93 3f3f n ASP 131 Ca 0.04 0.23 -0.19 0.00 -0.71 0.00 0.00 54.79 54.16 3f3f n ASP 131 Cb 0.29 -0.23 -0.04 0.00 -1.35 0.00 0.00 41.12 39.79 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 -1.21 0.54 3.07 6.12 0.00 -0.87 -4.59 105.19 108.25 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 -2.81 2.06 0.22 -0.61 1.01 -1.26 -1.21 121.20 118.60 3f3f s ILE 133 Ca 0.00 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.02 3f3f s ILE 133 Cb 0.00 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.32 3f3f s ILE 133 CO 0.00 0.17 1.07 -0.22 0.00 0.00 0.00 174.94 175.96 3f3f s LEU 134 N 1.20 4.53 -0.03 2.97 0.20 -0.62 -4.38 118.68 122.55 3f3f s LEU 134 Ca -0.04 2.12 0.03 0.00 0.69 0.00 0.00 54.13 56.93 3f3f s LEU 134 Cb -0.17 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.98 3f3f s LEU 134 CO -0.08 -0.14 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.62 3f3f s ARG 135 N -0.81 1.03 -0.11 1.98 0.52 -0.49 -1.68 118.95 119.38 3f3f s ARG 135 Ca 0.47 -0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.34 3f3f s ARG 135 Cb -0.30 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 3f3f s ARG 135 CO 0.36 0.11 -0.04 -0.51 0.02 0.00 0.00 175.30 175.24 3f3f s LEU 136 N 0.22 3.29 0.07 2.53 1.43 -0.68 -1.91 118.68 123.63 3f3f s LEU 136 Ca -0.04 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 3f3f s LEU 136 Cb -0.09 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3f3f s LEU 136 CO 0.01 0.29 -0.23 -0.31 0.23 0.00 0.00 176.35 176.33 3f3f s TYR 137 N -0.35 2.00 -0.04 0.29 2.02 -0.26 0.55 117.35 121.57 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 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 3f3f s TYR 137 CO 0.02 0.15 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.52 3f3f s ASP 138 N -1.43 1.60 -1.24 2.29 1.11 -0.22 -1.48 116.67 117.30 3f3f s ASP 138 Ca 0.09 -0.26 -0.07 0.00 0.18 0.00 0.00 52.55 52.49 3f3f s ASP 138 Cb -0.09 -0.48 0.20 0.00 1.07 0.00 0.00 42.92 43.62 3f3f s ASP 138 CO 0.03 0.09 1.87 0.00 1.18 0.00 0.00 175.17 178.34 3f3f n ALA 139 N 3.31 5.59 -0.25 5.23 0.00 -0.62 -1.30 120.51 132.48 3f3f n ALA 139 Ca -0.19 -4.40 0.04 0.00 0.00 0.00 0.00 53.44 48.89 3f3f n ALA 139 Cb 0.53 -2.79 0.09 0.00 0.00 0.00 0.00 19.45 17.29 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 2.84 -0.25 -4.23 0.00 4.77 -1.24 -3.11 117.00 115.76 3f3f n LEU 140 Ca 0.41 1.17 -0.42 0.00 -0.03 0.00 0.00 56.01 57.14 3f3f n LEU 140 Cb 0.33 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3f3f n LEU 140 CO 0.77 -1.12 0.03 -1.61 -1.33 0.00 0.00 177.39 174.13 3f3f s GLU 141 N -5.85 2.62 0.00 3.23 2.02 -1.26 -4.94 118.70 114.52 3f3f s GLU 141 Ca -0.10 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.10 3f3f s GLU 141 Cb 0.18 -4.02 0.00 0.00 0.10 0.00 0.00 34.13 30.39 3f3f s GLU 141 CO 0.53 -1.23 0.67 -2.30 0.02 0.00 0.00 175.26 172.95 3f3f n PRO 142 N 4.93 0.00 0.04 0.39 -0.02 -1.18 -0.20 135.00 138.95 3f3f n PRO 142 Ca -0.08 0.21 -0.20 0.00 -2.02 0.00 0.00 63.50 61.41 3f3f n PRO 142 Cb 0.41 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 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 0.43 -2.93 2.55 4.64 -1.92 -3.41 113.55 112.91 3f3f h SER 143 Ca 0.00 -0.76 -0.74 0.00 -0.47 0.00 0.00 61.79 59.83 3f3f h SER 143 Cb 0.45 -0.14 -0.21 0.00 -0.31 0.00 0.00 62.40 62.19 3f3f h SER 143 CO 0.00 1.66 0.61 -1.81 -0.87 0.00 0.00 176.83 176.42 3f3f s ASP 144 N -7.01 6.76 0.00 4.97 1.01 0.72 -4.88 116.67 118.23 3f3f s ASP 144 Ca -0.15 -2.45 0.00 0.00 0.71 0.00 0.00 52.55 50.65 3f3f s ASP 144 Cb 0.06 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.67 3f3f s ASP 144 CO 0.82 -0.82 1.66 0.18 0.21 0.00 0.00 175.17 177.22 3f3f n LEU 145 N 5.35 4.47 0.00 1.23 4.77 -1.26 -1.28 117.00 130.28 3f3f n LEU 145 Ca 0.22 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 3f3f n LEU 145 Cb 0.47 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 3f3f n LEU 145 CO 0.45 0.84 -0.06 0.54 -1.33 0.00 0.00 177.39 177.83 3f3f n ARG 146 N 1.44 4.18 -0.68 3.23 1.74 -1.26 -4.68 116.66 120.63 3f3f n ARG 146 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3f3f n ARG 146 Cb 0.44 -0.56 -0.05 0.00 -1.02 0.00 0.00 32.46 31.27 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 -0.29 4.18 -4.48 0.55 2.88 -0.40 -4.88 113.62 111.18 3f3f n SER 147 Ca 0.00 -2.21 -0.43 0.00 -1.33 0.00 0.00 58.87 54.89 3f3f n SER 147 Cb 0.01 -0.98 -0.05 0.00 -0.75 0.00 0.00 64.21 62.44 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 2.71 2.86 0.40 0.66 0.52 -1.26 -3.71 118.94 121.12 3f3f s TRP 148 Ca 0.40 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 3f3f s TRP 148 Cb 0.14 -3.94 -0.04 0.00 -1.15 0.00 0.00 33.47 28.48 3f3f s TRP 148 CO -0.02 -1.30 0.65 0.99 0.02 0.00 0.00 176.95 177.29 3f3f s THR 149 N 3.50 5.01 -0.36 2.01 2.01 -0.42 -4.88 115.64 122.51 3f3f s THR 149 Ca 0.23 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3f3f s THR 149 Cb -0.16 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.50 3f3f s THR 149 CO 0.15 -0.65 0.39 -0.22 -0.69 0.00 0.00 174.62 173.60 3f3f s LEU 150 N -4.39 4.54 0.08 4.42 0.20 -1.26 -1.06 118.68 121.20 3f3f s LEU 150 Ca 0.44 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 54.97 3f3f s LEU 150 Cb -0.10 -2.36 -0.23 0.00 -0.43 0.00 0.00 46.19 43.06 3f3f s LEU 150 CO 0.39 -0.40 1.12 0.74 -0.29 0.00 0.00 176.35 177.90 3f3f h THR 151 N 5.59 1.49 -2.30 3.68 2.02 -0.22 -3.48 112.91 119.70 3f3f h THR 151 Ca -0.29 -3.19 0.08 0.00 0.77 0.00 0.00 66.41 63.78 3f3f h THR 151 Cb 1.13 2.80 -0.16 0.00 -1.74 0.00 0.00 68.15 70.19 3f3f h THR 151 CO 0.72 0.88 0.44 -0.55 0.37 0.00 0.00 175.52 177.38 3f3f s SER 152 N -6.74 -0.41 -0.05 4.18 0.15 -1.05 -4.94 113.70 104.83 3f3f s SER 152 Ca -0.02 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.69 3f3f s SER 152 Cb 0.09 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.85 3f3f s SER 152 CO 0.84 -0.64 0.11 -1.61 1.20 0.00 0.00 173.24 173.13 3f3f s GLU 153 N -2.91 0.04 -0.01 5.44 2.02 -1.26 -1.68 118.70 120.33 3f3f s GLU 153 Ca 0.03 0.35 0.03 0.00 0.02 0.00 0.00 54.97 55.39 3f3f s GLU 153 Cb -0.01 -0.24 -0.00 0.00 0.10 0.00 0.00 34.13 33.98 3f3f s GLU 153 CO -0.08 -0.20 -0.09 -1.64 0.02 0.00 0.00 175.26 173.28 3f3f s MET 154 N 1.38 0.78 -0.57 1.61 -1.94 -0.68 -5.00 119.30 114.89 3f3f s MET 154 Ca -0.06 -0.30 -0.23 0.00 -1.71 0.00 0.00 55.69 53.39 3f3f s MET 154 Cb -0.12 -0.75 0.05 0.00 2.01 0.00 0.00 34.83 36.02 3f3f s MET 154 CO -0.05 0.15 0.90 0.15 -0.01 0.00 0.00 175.02 176.16 3f3f s LYS 155 N -0.03 3.26 -0.02 2.03 1.02 -1.26 -1.59 119.74 123.14 3f3f s LYS 155 Ca 0.01 -0.46 -0.05 0.00 0.02 0.00 0.00 55.97 55.49 3f3f s LYS 155 Cb -0.05 -4.09 -0.02 0.00 -0.52 0.00 0.00 37.83 33.14 3f3f s LYS 155 CO -0.00 -1.51 0.35 0.28 -0.92 0.00 0.00 175.35 173.55 3f3f h VAL 156 N 5.99 0.00 -3.46 3.17 2.07 -1.53 -3.40 116.25 119.09 3f3f h VAL 156 Ca -0.27 -0.30 -0.58 0.00 0.82 0.00 0.00 66.70 66.38 3f3f h VAL 156 Cb 1.08 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.77 3f3f h VAL 156 CO 1.09 0.00 0.78 -0.76 0.02 0.00 0.00 177.57 178.69 3f3f s LEU 157 N -6.07 3.89 0.07 2.57 1.43 -1.22 -4.87 118.68 114.48 3f3f s LEU 157 Ca -0.02 0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3f3f s LEU 157 Cb 0.00 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.85 3f3f s LEU 157 CO 0.07 -0.95 0.48 -1.54 0.23 0.00 0.00 176.35 174.64 3f3f n SER 158 N 7.05 -0.21 -4.35 2.29 3.41 -1.26 -3.91 113.62 116.64 3f3f n SER 158 Ca 0.10 0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 59.01 3f3f n SER 158 Cb 0.48 -0.12 -0.12 0.00 -0.26 0.00 0.00 64.21 64.19 3f3f n SER 158 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3f3f s ILE 159 N -5.29 1.99 -0.55 -1.33 1.01 -1.26 -5.01 121.20 110.76 3f3f s ILE 159 Ca -0.04 -1.86 -0.02 0.00 0.00 0.00 0.00 60.65 58.73 3f3f s ILE 159 Cb 0.06 -1.88 0.26 0.00 0.01 0.00 0.00 42.46 40.91 3f3f s ILE 159 CO 0.22 -0.17 2.24 -2.65 0.00 0.00 0.00 174.94 174.58 3f3f n PRO 160 N 0.51 2.38 -1.55 2.79 -0.02 -1.25 -4.98 135.00 132.88 3f3f n PRO 160 Ca -0.15 -2.60 -0.37 0.00 -2.02 0.00 0.00 63.50 58.36 3f3f n PRO 160 Cb 0.56 -2.06 0.07 0.00 -0.02 0.00 0.00 33.50 32.05 3f3f n PRO 160 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3f3f n PRO 161 N 0.01 0.79 0.00 0.52 -0.02 -1.26 -4.86 135.00 130.18 3f3f n PRO 161 Ca 0.48 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3f3f n PRO 161 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3f3f n PRO 161 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f3f n ALA 162 N -2.12 0.00 0.97 3.55 0.00 -1.26 -4.97 120.51 116.68 3f3f n ALA 162 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3f3f n ALA 162 Cb 0.48 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.39 3f3f n ALA 162 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3f3f n ASN 163 N 0.00 0.25 -2.87 0.00 2.85 -1.26 -4.92 115.26 109.32 3f3f n ASN 163 Ca 0.00 0.20 -0.20 0.00 -0.11 0.00 0.00 54.58 54.47 3f3f n ASN 163 Cb 0.00 -0.20 0.05 0.00 1.24 0.00 0.00 39.78 40.87 3f3f n ASN 163 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 3f3f n HIS 164 N -1.56 -2.08 -0.07 1.20 8.25 -1.26 -4.87 115.22 114.83 3f3f n HIS 164 Ca 0.06 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3f3f n HIS 164 Cb 0.35 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.24 3f3f n HIS 164 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3f3f n LEU 165 N -3.92 0.04 -2.82 2.41 4.77 -1.26 -4.92 117.00 111.30 3f3f n LEU 165 Ca -0.04 -0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 3f3f n LEU 165 Cb 0.58 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.72 3f3f n LEU 165 CO 0.48 0.01 0.20 0.00 -1.33 0.00 0.00 177.39 176.75 3f3f n GLN 166 N -0.31 0.95 -4.34 3.23 6.02 -1.26 -5.15 117.38 116.52 3f3f n GLN 166 Ca 0.00 -2.15 -0.22 0.00 -0.01 0.00 0.00 57.00 54.62 3f3f n GLN 166 Cb 0.02 -1.23 -0.13 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.52 2.14 -0.09 1.08 1.04 -1.26 -5.00 113.70 110.08 3f3f s SER 167 Ca 0.27 -0.59 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 3f3f s SER 167 Cb 0.28 -0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.31 3f3f s SER 167 CO -0.10 0.04 0.36 -0.62 0.98 0.00 0.00 173.24 173.90 3f3f s ASP 168 N -1.57 -0.32 -0.06 7.02 -1.08 -1.26 -5.04 116.67 114.36 3f3f s ASP 168 Ca 0.04 0.50 -0.07 0.00 -0.52 0.00 0.00 52.55 52.50 3f3f s ASP 168 Cb -0.09 0.59 0.02 0.00 -1.46 0.00 0.00 42.92 41.97 3f3f s ASP 168 CO 0.03 -0.27 0.18 -0.36 0.52 0.00 0.00 175.17 175.28 3f3f s PHE 169 N -0.42 -0.16 0.02 -5.34 0.40 -1.26 -1.52 117.98 109.69 3f3f s PHE 169 Ca -0.05 0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.63 3f3f s PHE 169 Cb -0.03 0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.53 3f3f s PHE 169 CO 0.02 -0.14 0.05 0.00 0.70 0.00 0.00 175.22 175.86 3f3f s LEU 171 N -1.56 2.44 -0.30 0.00 1.43 -1.26 -1.06 118.68 118.38 3f3f s LEU 171 Ca -0.13 -0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 51.95 3f3f s LEU 171 Cb -0.07 -0.56 0.17 0.00 0.03 0.00 0.00 46.19 45.76 3f3f s LEU 171 CO -0.01 -0.17 1.02 -0.55 0.23 0.00 0.00 176.35 176.87 3f3f s SER 172 N -2.68 -0.53 0.60 2.29 0.15 -1.00 -4.88 113.70 107.65 3f3f s SER 172 Ca 0.12 0.61 -0.09 0.00 0.70 0.00 0.00 55.95 57.29 3f3f s SER 172 Cb -0.03 1.56 -0.03 0.00 -1.71 0.00 0.00 66.02 65.81 3f3f s SER 172 CO 0.03 -0.10 0.97 0.26 1.20 0.00 0.00 173.24 175.60 3f3f s TRP 173 N 2.54 3.53 -0.33 3.44 0.52 -1.26 -0.45 118.94 126.92 3f3f s TRP 173 Ca -0.01 1.08 -0.26 0.00 0.02 0.00 0.00 56.10 56.93 3f3f s TRP 173 Cb -0.07 -2.67 0.01 0.00 -1.15 0.00 0.00 33.47 29.59 3f3f s TRP 173 CO -0.16 -0.68 0.93 0.00 0.02 0.00 0.00 176.95 177.06 3f3f h PRO 175 N 8.23 0.32 -5.06 0.00 0.11 -1.87 -3.44 132.00 130.29 3f3f h PRO 175 Ca -0.23 -0.07 -0.68 0.00 0.11 0.00 0.00 66.00 65.13 3f3f h PRO 175 Cb 1.08 -0.04 0.03 0.00 0.11 0.00 0.00 31.00 32.18 3f3f h PRO 175 CO 0.97 0.43 0.17 0.45 -0.21 0.00 0.00 178.00 179.81 3f3f n SER 176 N -4.27 0.22 0.03 -2.05 2.88 -1.26 -4.88 113.62 104.29 3f3f n SER 176 Ca -0.00 0.98 -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 2.90 0.05 -0.90 -1.46 2.43 -1.97 -3.35 114.38 112.09 3f3f h ARG 177 Ca -0.42 -0.09 -0.61 0.00 -0.81 0.00 0.00 59.98 58.05 3f3f h ARG 177 Cb 1.19 0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 30.46 3f3f h ARG 177 CO 0.61 0.83 0.35 1.19 -1.51 0.00 0.00 179.97 181.44 3f3f n PHE 178 N -3.26 2.99 -3.93 2.20 3.01 -1.26 -4.93 117.46 112.28 3f3f n PHE 178 Ca -0.10 -2.68 -0.11 0.00 1.01 0.00 0.00 57.45 55.57 3f3f n PHE 178 Cb 1.00 -1.08 -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 -2.33 0.13 0.26 4.37 0.15 -1.26 -5.13 113.70 109.90 3f3f s SER 179 Ca 0.60 -0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.70 3f3f s SER 179 Cb 0.48 0.05 -0.13 0.00 -1.71 0.00 0.00 66.02 64.70 3f3f s SER 179 CO 0.01 -0.14 1.46 -0.81 1.20 0.00 0.00 173.24 174.96 3f3f n PRO 180 N 2.37 2.25 -1.55 5.44 -0.04 -1.26 -4.85 135.00 137.36 3f3f n PRO 180 Ca -0.18 0.80 -0.56 0.00 -0.04 0.00 0.00 63.50 63.52 3f3f n PRO 180 Cb 0.58 -2.49 -0.07 0.00 -0.04 0.00 0.00 33.50 31.47 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 1.98 0.55 -3.53 0.54 2.13 -1.26 -4.89 120.64 116.16 3f3f n GLU 181 Ca 0.10 0.20 -0.08 0.00 0.66 0.00 0.00 57.16 58.04 3f3f n GLU 181 Cb 0.33 -1.77 -0.03 0.00 0.27 0.00 0.00 31.44 30.25 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 0.42 0.70 0.02 5.31 -2.85 -1.26 -1.97 119.74 120.10 3f3f s LYS 182 Ca 0.89 -0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 55.54 3f3f s LYS 182 Cb -1.13 0.32 0.02 0.00 -2.06 0.00 0.00 37.83 34.99 3f3f s LYS 182 CO 0.53 -0.29 0.31 -0.48 0.10 0.00 0.00 175.35 175.53 3f3f s LEU 183 N -2.12 0.85 0.06 2.77 0.05 -0.45 -1.46 118.68 118.38 3f3f s LEU 183 Ca 0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 54.13 54.15 3f3f s LEU 183 Cb -0.01 1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 45.42 3f3f s LEU 183 CO -0.06 -0.54 0.22 0.00 -0.55 0.00 0.00 176.35 175.42 3f3f s ALA 184 N -2.00 3.99 -0.05 1.48 0.00 0.40 -0.79 121.76 124.78 3f3f s ALA 184 Ca -0.09 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3f3f s ALA 184 Cb -0.03 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3f3f s ALA 184 CO 0.00 0.81 0.12 0.08 0.00 0.00 0.00 175.76 176.77 3f3f s VAL 185 N -1.50 -0.04 -0.05 0.00 1.01 0.23 -2.38 120.40 117.66 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 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3f3f s VAL 185 CO 0.27 0.06 -0.15 -0.94 0.00 0.00 0.00 175.10 174.34 3f3f s SER 186 N 0.98 3.98 -0.35 3.32 1.04 -0.22 0.15 113.70 122.60 3f3f s SER 186 Ca -0.08 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.14 3f3f s SER 186 Cb -0.10 -0.89 0.14 0.00 0.10 0.00 0.00 66.02 65.27 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 -0.64 0.23 0.00 5.32 0.00 -0.86 -1.66 121.76 124.15 3f3f s ALA 187 Ca 0.09 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.74 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 -2.05 0.00 1.28 0.00 0.00 0.00 175.76 175.00 3f3f n LEU 188 N 4.33 0.00 0.02 0.00 4.77 -0.57 -2.99 117.00 122.54 3f3f n LEU 188 Ca 0.09 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 3f3f n LEU 188 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 3f3f n LEU 188 CO 0.10 0.00 -0.23 -0.33 -1.33 0.00 0.00 177.39 175.60 3f3f h GLU 189 N 0.00 0.01 -7.37 3.23 5.08 -1.92 -0.12 114.58 113.49 3f3f h GLU 189 Ca 0.00 -0.01 -0.51 0.00 -1.00 0.00 0.00 59.36 57.84 3f3f h GLU 189 Cb 0.00 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.33 3f3f h GLU 189 CO 0.00 0.73 0.40 -0.65 -1.00 0.00 0.00 179.01 178.49 3f3f s GLN 190 N -2.65 3.22 -0.23 2.33 -1.52 -1.16 -4.61 119.66 115.05 3f3f s GLN 190 Ca -0.02 0.79 -0.05 0.00 -1.95 0.00 0.00 55.36 54.12 3f3f s GLN 190 Cb 0.09 -2.03 0.12 0.00 -0.22 0.00 0.00 33.01 30.96 3f3f s GLN 190 CO 0.82 -0.85 0.44 0.00 -0.25 0.00 0.00 175.29 175.45 3f3f s ALA 191 N -3.15 -1.30 0.11 6.09 0.00 -1.26 -2.03 121.76 120.23 3f3f s ALA 191 Ca 0.57 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.99 3f3f s ALA 191 Cb -0.12 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 3f3f s ALA 191 CO 0.54 -0.98 -0.13 0.96 0.00 0.00 0.00 175.76 176.16 3f3f s ILE 192 N 2.63 1.18 -0.11 0.00 -4.36 0.12 -1.45 121.20 119.21 3f3f s ILE 192 Ca 0.04 -1.64 -0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3f3f s ILE 192 Cb -0.13 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3f3f s ILE 192 CO -0.15 -0.44 -0.05 -0.63 0.24 0.00 0.00 174.94 173.91 3f3f s ILE 193 N -2.13 3.83 0.06 8.37 1.01 0.09 -0.60 121.20 131.82 3f3f s ILE 193 Ca 0.06 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.36 3f3f s ILE 193 Cb -0.05 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3f3f s ILE 193 CO 0.02 0.55 -0.11 -0.31 0.00 0.00 0.00 174.94 175.10 3f3f s TYR 194 N -0.26 2.75 0.01 3.97 1.51 0.03 -0.96 117.35 124.41 3f3f s TYR 194 Ca 0.04 -0.14 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 40.21 3f3f s TYR 194 CO 0.02 0.37 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.65 3f3f s GLN 195 N -1.79 0.37 0.11 -0.62 0.74 -0.47 -1.34 119.66 116.66 3f3f s GLN 195 Ca 0.19 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 3f3f s GLN 195 Cb -0.11 -0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.69 3f3f s GLN 195 CO 0.10 0.05 1.23 0.50 -0.55 0.00 0.00 175.29 176.62 3f3f s ARG 196 N -0.75 4.44 0.73 1.67 6.06 -0.83 -1.84 118.95 128.42 3f3f s ARG 196 Ca -0.05 1.85 -0.01 0.00 -2.50 0.00 0.00 55.73 55.03 3f3f s ARG 196 Cb -0.05 -3.29 0.14 0.00 0.06 0.00 0.00 34.95 31.81 3f3f s ARG 196 CO -0.00 -0.23 1.00 0.41 -2.50 0.00 0.00 175.30 173.98 3f3f n GLY 197 N 2.91 0.60 0.25 8.12 0.00 -0.16 -4.91 105.19 112.01 3f3f n GLY 197 Ca 0.08 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.21 3f3f n GLY 197 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3f h LYS 198 N 0.00 0.00 -0.38 1.61 1.57 -1.96 -2.34 116.57 115.07 3f3f h LYS 198 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3f3f h LYS 198 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3f3f h LYS 198 CO 0.35 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 3f3f n ASP 199 N -3.34 1.37 -1.34 0.86 5.75 -1.26 -4.90 116.55 113.69 3f3f n ASP 199 Ca -0.00 -2.07 -0.17 0.00 -0.01 0.00 0.00 54.79 52.54 3f3f n ASP 199 Cb 0.33 -0.24 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.64 1.72 3.48 6.12 0.00 -0.88 -4.99 105.19 111.28 3f3f n GLY 200 Ca 0.07 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.47 1.72 0.14 1.61 1.02 -1.26 -4.87 119.74 114.63 3f3f s LYS 201 Ca 0.00 -1.45 -0.26 0.00 0.02 0.00 0.00 55.97 54.28 3f3f s LYS 201 Cb 0.00 -1.96 -0.07 0.00 -0.52 0.00 0.00 37.83 35.28 3f3f s LYS 201 CO 0.00 0.41 0.80 -0.51 -0.92 0.00 0.00 175.35 175.13 3f3f s LEU 202 N -2.77 4.56 0.07 3.17 1.43 -1.26 -0.99 118.68 122.89 3f3f s LEU 202 Ca 0.23 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 3f3f s LEU 202 Cb -0.08 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3f3f s LEU 202 CO 0.12 0.14 -0.11 -1.00 0.23 0.00 0.00 176.35 175.73 3f3f s HIS 203 N -0.81 1.03 -0.29 0.29 3.76 -0.77 -4.95 115.29 113.55 3f3f s HIS 203 Ca 0.38 -0.54 -0.28 0.00 -0.15 0.00 0.00 55.06 54.46 3f3f s HIS 203 Cb -0.23 -0.58 0.01 0.00 1.11 0.00 0.00 32.58 32.90 3f3f s HIS 203 CO 0.26 0.00 1.03 0.08 -0.85 0.00 0.00 174.74 175.27 3f3f s VAL 204 N -1.73 4.59 -1.20 -0.90 1.01 -1.26 -1.37 120.40 119.53 3f3f s VAL 204 Ca -0.01 1.74 0.22 0.00 0.00 0.00 0.00 61.98 63.93 3f3f s VAL 204 Cb -0.07 -4.36 -0.16 0.00 0.00 0.00 0.00 36.38 31.79 3f3f s VAL 204 CO 0.01 -0.37 1.00 0.00 0.00 0.00 0.00 175.10 175.73 3f3f n ALA 205 N 6.65 4.40 0.00 5.51 0.00 -0.13 -4.95 120.51 131.98 3f3f n ALA 205 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3f3f n ALA 205 Cb 0.47 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.22 0.00 -2.82 0.00 0.00 -1.20 -4.43 120.51 110.84 3f3f n ALA 206 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 3f3f n ALA 206 Cb 0.36 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.69 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 0.57 -1.03 0.00 1.02 -1.26 -0.73 119.74 116.30 3f3f s LYS 207 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.19 3f3f s LYS 207 Cb 0.00 -0.41 0.26 0.00 -0.52 0.00 0.00 37.83 37.16 3f3f s LYS 207 CO 0.00 0.08 1.00 -0.51 -0.92 0.00 0.00 175.35 175.01 3f3f s LEU 208 N -1.41 6.24 0.80 3.17 1.43 -0.53 -4.98 118.68 123.41 3f3f s LEU 208 Ca -0.07 -3.51 -0.13 0.00 -1.03 0.00 0.00 54.13 49.40 3f3f s LEU 208 Cb -0.09 -2.15 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3f3f s LEU 208 CO 0.01 -0.30 1.17 -2.16 0.23 0.00 0.00 176.35 175.29 3f3f s PRO 209 N -1.10 1.73 0.00 1.29 0.04 -1.26 -4.48 135.00 131.22 3f3f s PRO 209 Ca 0.28 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3f3f s PRO 209 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3f3f s PRO 209 CO -0.09 -2.11 0.00 0.41 0.04 0.00 0.00 177.00 175.25 3f3f n GLY 210 N 0.13 2.05 3.68 0.56 0.00 -1.26 -5.08 105.19 105.28 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 -1.95 2.62 -0.42 1.61 3.76 -1.26 -4.91 115.29 114.73 3f3f s HIS 211 Ca 0.00 0.60 0.05 0.00 -0.15 0.00 0.00 55.06 55.56 3f3f s HIS 211 Cb 0.00 -3.78 0.50 0.00 1.11 0.00 0.00 32.58 30.42 3f3f s HIS 211 CO 0.00 -3.01 1.62 1.63 -0.85 0.00 0.00 174.74 174.13 3f3f n LYS 212 N 5.69 2.56 -1.92 1.40 5.02 -1.26 -4.89 118.16 124.76 3f3f n LYS 212 Ca 0.14 -3.44 0.00 0.00 -2.02 0.00 0.00 58.31 53.00 3f3f n LYS 212 Cb 0.43 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 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 -0.97 0.00 -4.72 4.39 2.88 -1.26 -4.79 113.62 109.15 3f3f n SER 213 Ca 0.48 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.61 3f3f n SER 213 Cb 1.00 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 4.39 -0.51 2.46 1.43 -1.26 -3.57 118.68 121.62 3f3f s LEU 214 Ca 0.00 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 54.44 3f3f s LEU 214 Cb 0.00 -3.47 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3f3f s LEU 214 CO 0.00 -0.18 0.95 -0.63 0.23 0.00 0.00 176.35 176.73 3f3f s ILE 215 N 0.70 4.40 0.04 -0.59 1.01 -0.06 -0.07 121.20 126.63 3f3f s ILE 215 Ca 0.48 0.55 0.11 0.00 0.00 0.00 0.00 60.65 61.78 3f3f s ILE 215 Cb -0.21 -4.51 -0.07 0.00 0.01 0.00 0.00 42.46 37.69 3f3f s ILE 215 CO 0.26 -1.00 1.41 0.03 0.00 0.00 0.00 174.94 175.64 3f3f h ARG 216 N 9.22 0.00 -2.42 2.79 2.47 -1.56 -3.43 114.38 121.45 3f3f h ARG 216 Ca -0.25 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.41 3f3f h ARG 216 Cb 1.07 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.22 3f3f h ARG 216 CO 1.07 0.74 0.13 0.45 0.56 0.00 0.00 179.97 182.91 3f3f s SER 217 N -6.61 -0.56 -0.14 7.04 0.15 -1.12 -4.91 113.70 107.55 3f3f s SER 217 Ca 0.02 0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.88 3f3f s SER 217 Cb 0.09 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.98 3f3f s SER 217 CO 0.78 -0.69 0.55 0.27 1.20 0.00 0.00 173.24 175.35 3f3f s ILE 218 N -1.95 0.01 -0.19 6.45 -4.36 -1.26 -0.90 121.20 119.00 3f3f s ILE 218 Ca -0.08 -0.08 -0.14 0.00 -0.26 0.00 0.00 60.65 60.09 3f3f s ILE 218 Cb -0.01 -0.81 0.05 0.00 1.25 0.00 0.00 42.46 42.95 3f3f s ILE 218 CO 0.03 -0.04 0.48 -0.94 0.24 0.00 0.00 174.94 174.71 3f3f s SER 219 N -0.33 -0.56 0.21 4.36 1.04 -0.70 -4.67 113.70 113.05 3f3f s SER 219 Ca -0.05 1.01 -0.29 0.00 0.48 0.00 0.00 55.95 57.10 3f3f s SER 219 Cb -0.03 0.96 -0.08 0.00 0.10 0.00 0.00 66.02 66.96 3f3f s SER 219 CO 0.04 -0.19 0.92 0.86 0.98 0.00 0.00 173.24 175.85 3f3f s TRP 220 N 0.81 3.95 0.11 5.02 -0.11 -1.26 -2.03 118.94 125.43 3f3f s TRP 220 Ca -0.04 1.86 -0.06 0.00 1.22 0.00 0.00 56.10 59.08 3f3f s TRP 220 Cb -0.05 -2.96 -0.05 0.00 -1.50 0.00 0.00 33.47 28.90 3f3f s TRP 220 CO -0.06 0.43 0.36 0.00 -4.62 0.00 0.00 176.95 173.06 3f3f s ALA 221 N -1.01 3.79 0.01 5.86 0.00 -0.02 -4.81 121.76 125.57 3f3f s ALA 221 Ca 0.41 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 3f3f s ALA 221 Cb -0.25 -2.15 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 3f3f s ALA 221 CO 0.31 0.64 1.76 -2.14 0.00 0.00 0.00 175.76 176.34 3f3f s PRO 222 N -2.35 4.17 -0.68 0.00 0.02 -1.26 -4.63 135.00 130.28 3f3f s PRO 222 Ca 0.37 2.37 -0.03 0.00 0.02 0.00 0.00 61.00 63.74 3f3f s PRO 222 Cb -0.13 -3.95 0.26 0.00 0.02 0.00 0.00 34.50 30.70 3f3f s PRO 222 CO 0.22 -0.86 2.28 -1.13 -0.33 0.00 0.00 177.00 177.18 3f3f n SER 223 N 6.88 7.15 -4.68 2.53 3.41 -1.26 -4.00 113.62 123.65 3f3f n SER 223 Ca 0.18 -3.59 -0.42 0.00 -0.26 0.00 0.00 58.87 54.78 3f3f n SER 223 Cb 0.42 -1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 63.22 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 -3.99 3.31 0.00 -1.33 1.01 -1.26 -2.91 121.20 116.03 3f3f s ILE 224 Ca 0.55 0.66 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3f3f s ILE 224 Cb 0.42 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3f3f s ILE 224 CO -0.30 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.23 3f3f n GLY 225 N 3.97 2.21 3.90 6.18 0.00 -1.26 -5.01 105.19 115.18 3f3f n GLY 225 Ca 0.16 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 2.55 -0.16 1.61 0.52 -1.14 -5.01 118.95 117.31 3f3f s ARG 226 Ca 0.00 0.18 0.05 0.00 -0.52 0.00 0.00 55.73 55.44 3f3f s ARG 226 Cb 0.00 -2.07 -0.13 0.00 0.52 0.00 0.00 34.95 33.27 3f3f s ARG 226 CO 0.00 -1.14 -0.08 1.87 0.02 0.00 0.00 175.30 175.96 3f3f n TRP 227 N -2.99 0.00 -1.17 -0.53 -0.00 -1.26 -4.94 117.44 106.55 3f3f n TRP 227 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.28 3f3f n TRP 227 Cb 0.59 -0.66 0.20 0.00 -0.00 0.00 0.00 31.31 31.44 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 -2.33 1.42 0.18 5.87 1.13 -1.26 -4.95 117.35 117.40 3f3f s TYR 228 Ca -0.17 0.75 0.11 0.00 -1.41 0.00 0.00 57.07 56.34 3f3f s TYR 228 Cb 0.05 -3.37 -0.04 0.00 -1.10 0.00 0.00 41.96 37.49 3f3f s TYR 228 CO 0.44 -3.31 -0.22 -0.65 -2.51 0.00 0.00 175.55 169.31 3f3f s GLN 229 N -5.19 1.59 -0.06 -3.49 -1.52 -0.22 -4.87 119.66 105.91 3f3f s GLN 229 Ca 0.68 -1.45 0.00 0.00 -1.95 0.00 0.00 55.36 52.64 3f3f s GLN 229 Cb -0.14 -1.91 0.02 0.00 -0.22 0.00 0.00 33.01 30.76 3f3f s GLN 229 CO 0.57 0.42 -0.03 -0.51 -0.25 0.00 0.00 175.29 175.48 3f3f s LEU 230 N -2.58 1.05 -0.04 2.90 1.43 -1.26 -0.28 118.68 119.90 3f3f s LEU 230 Ca 0.20 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3f3f s LEU 230 Cb -0.08 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 3f3f s LEU 230 CO 0.10 -0.11 -0.15 0.27 0.23 0.00 0.00 176.35 176.70 3f3f s ILE 231 N 1.35 1.24 0.11 -0.59 -4.36 -0.87 -0.84 121.20 117.24 3f3f s ILE 231 Ca -0.04 -0.61 0.06 0.00 -0.26 0.00 0.00 60.65 59.80 3f3f s ILE 231 Cb -0.13 -1.08 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 3f3f s ILE 231 CO -0.02 0.37 -0.01 0.00 0.24 0.00 0.00 174.94 175.51 3f3f s ALA 232 N 0.14 3.22 -0.01 2.27 0.00 -0.86 -1.36 121.76 125.16 3f3f s ALA 232 Ca -0.05 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.73 3f3f s ALA 232 Cb -0.11 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3f3f s ALA 232 CO 0.02 0.64 -0.02 0.95 0.00 0.00 0.00 175.76 177.35 3f3f s THR 233 N -1.39 0.17 -0.40 0.00 -4.23 -0.20 -1.72 115.64 107.87 3f3f s THR 233 Ca 0.25 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.62 3f3f s THR 233 Cb -0.11 -0.17 0.07 0.00 1.34 0.00 0.00 72.50 73.63 3f3f s THR 233 CO 0.18 0.07 0.23 -0.83 -0.54 0.00 0.00 174.62 173.72 3f3f s GLY 234 N 0.13 1.94 0.53 3.99 0.00 -0.08 -1.17 107.32 112.67 3f3f s GLY 234 Ca -0.01 -2.07 -0.01 0.00 0.00 0.00 0.00 44.72 42.63 3f3f s GLY 234 CO -0.00 0.93 0.78 0.00 0.00 0.00 0.00 173.10 174.81 3f3f h LYS 236 N 0.08 0.00 0.00 0.00 3.64 -0.76 -2.10 116.57 117.44 3f3f h LYS 236 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3f3f h LYS 236 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3f3f h LYS 236 CO 0.57 0.30 0.00 -0.40 -2.27 0.00 0.00 179.45 177.65 3f3f n ASP 237 N -3.23 0.00 -0.07 4.20 5.68 -1.26 -4.01 116.55 117.85 3f3f n ASP 237 Ca 0.02 -0.97 -0.01 0.00 -0.50 0.00 0.00 54.79 53.33 3f3f n ASP 237 Cb 0.60 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.58 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 0.06 0.40 3.11 6.12 0.00 -1.13 -4.87 105.19 108.89 3f3f n GLY 238 Ca 0.03 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.76 1.65 0.07 1.61 0.52 -1.25 -4.17 118.95 114.63 3f3f s ARG 239 Ca 0.00 -0.56 -0.18 0.00 -0.52 0.00 0.00 55.73 54.47 3f3f s ARG 239 Cb 0.00 -1.45 -0.07 0.00 0.52 0.00 0.00 34.95 33.96 3f3f s ARG 239 CO 0.00 0.22 0.54 0.42 0.02 0.00 0.00 175.30 176.50 3f3f s ILE 240 N 0.07 4.79 0.00 1.52 1.01 -0.25 -1.98 121.20 126.36 3f3f s ILE 240 Ca -0.04 1.12 0.03 0.00 0.00 0.00 0.00 60.65 61.76 3f3f s ILE 240 Cb -0.11 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3f3f s ILE 240 CO 0.02 0.52 -0.09 -0.13 0.00 0.00 0.00 174.94 175.26 3f3f s ARG 241 N -1.21 0.67 -0.13 2.79 0.52 -0.32 -1.78 118.95 119.50 3f3f s ARG 241 Ca 0.29 -0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3f3f s ARG 241 Cb -0.19 -0.64 0.02 0.00 0.52 0.00 0.00 34.95 34.67 3f3f s ARG 241 CO 0.18 0.17 -0.10 0.42 0.02 0.00 0.00 175.30 175.99 3f3f s ILE 242 N -0.38 1.23 -0.12 1.52 1.01 -0.96 -1.04 121.20 122.47 3f3f s ILE 242 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 3f3f s ILE 242 Cb -0.04 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3f3f s ILE 242 CO -0.00 0.40 -0.02 -0.36 0.00 0.00 0.00 174.94 174.96 3f3f s PHE 243 N 1.61 3.07 -0.25 3.97 0.40 -0.47 0.14 117.98 126.47 3f3f s PHE 243 Ca 0.05 -0.04 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 3f3f s PHE 243 Cb -0.13 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 3f3f s PHE 243 CO -0.09 0.22 0.23 0.21 0.70 0.00 0.00 175.22 176.48 3f3f s LYS 244 N -0.26 4.06 -0.21 0.44 2.20 -0.36 -2.05 119.74 123.56 3f3f s LYS 244 Ca 0.05 -0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.49 3f3f s LYS 244 Cb -0.12 -3.58 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3f3f s LYS 244 CO 0.02 -0.04 -0.13 0.42 -0.36 0.00 0.00 175.35 175.26 3f3f s ILE 245 N 1.35 2.51 0.04 5.43 1.01 0.61 -1.24 121.20 130.92 3f3f s ILE 245 Ca 0.10 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.92 3f3f s ILE 245 Cb -0.14 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3f3f s ILE 245 CO 0.07 0.41 -0.19 -0.89 0.00 0.00 0.00 174.94 174.35 3f3f s THR 246 N 1.33 2.75 -0.23 2.92 2.01 -1.07 -1.05 115.64 122.29 3f3f s THR 246 Ca 0.03 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 60.84 3f3f s THR 246 Cb -0.14 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.25 3f3f s THR 246 CO -0.09 0.33 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.20 3f3f s GLU 247 N -1.46 2.50 -0.26 4.92 -1.05 -1.26 0.14 118.70 122.23 3f3f s GLU 247 Ca 0.15 -1.13 0.09 0.00 -0.15 0.00 0.00 54.97 53.92 3f3f s GLU 247 Cb -0.10 -2.75 0.45 0.00 -0.44 0.00 0.00 34.13 31.29 3f3f s GLU 247 CO 0.05 -0.43 1.29 1.17 0.95 0.00 0.00 175.26 178.29 3f3f n LYS 248 N 4.51 2.17 0.00 -4.83 4.81 -1.26 -5.00 118.16 118.56 3f3f n LYS 248 Ca -0.17 -3.50 0.00 0.00 -0.87 0.00 0.00 58.31 53.77 3f3f n LYS 248 Cb 0.45 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.66 3f3f n LYS 248 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3f3f n SER 290 N -1.01 -0.02 -4.77 3.14 7.64 -1.26 -4.88 113.62 112.46 3f3f n SER 290 Ca 0.29 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.78 3f3f n SER 290 Cb 0.83 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 64.08 3f3f n SER 290 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3f3f s ASN 291 N -0.07 5.87 -0.10 6.43 0.01 -1.26 -5.01 114.94 120.82 3f3f s ASN 291 Ca 0.00 2.94 -0.02 0.00 -0.71 0.00 0.00 52.86 55.07 3f3f s ASN 291 Cb 0.00 -2.66 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 3f3f s ASN 291 CO 0.00 -1.18 -0.00 -0.76 -1.51 0.00 0.00 177.10 173.64 3f3f s LEU 292 N -2.72 3.53 0.19 0.60 1.43 -1.26 -4.40 118.68 116.05 3f3f s LEU 292 Ca 0.61 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3f3f s LEU 292 Cb -0.44 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3f3f s LEU 292 CO 0.57 0.35 0.33 -1.10 0.23 0.00 0.00 176.35 176.73 3f3f s GLN 293 N -0.70 3.45 -0.12 1.70 -0.21 0.36 -4.95 119.66 119.20 3f3f s GLN 293 Ca 0.11 -0.62 -0.04 0.00 0.02 0.00 0.00 55.36 54.84 3f3f s GLN 293 Cb -0.12 -2.92 0.05 0.00 1.00 0.00 0.00 33.01 31.03 3f3f s GLN 293 CO 0.02 0.46 0.10 0.08 -2.12 0.00 0.00 175.29 173.84 3f3f s VAL 294 N -1.86 -0.14 0.12 1.09 1.01 -1.26 -2.61 120.40 116.74 3f3f s VAL 294 Ca 0.35 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.50 3f3f s VAL 294 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3f3f s VAL 294 CO 0.29 -0.06 0.01 -1.61 0.00 0.00 0.00 175.10 173.73 3f3f s GLU 295 N 2.19 2.53 -0.21 2.72 2.02 -0.37 -4.98 118.70 122.59 3f3f s GLU 295 Ca 0.04 -0.92 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 3f3f s GLU 295 Cb -0.14 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 3f3f s GLU 295 CO -0.07 0.51 0.05 -1.17 0.02 0.00 0.00 175.26 174.60 3f3f s LEU 296 N -2.55 3.51 -0.20 1.80 2.96 -1.26 -1.22 118.68 121.72 3f3f s LEU 296 Ca 0.27 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 3f3f s LEU 296 Cb -0.11 -1.91 -0.14 0.00 0.50 0.00 0.00 46.19 44.54 3f3f s LEU 296 CO 0.19 0.06 0.04 0.18 -1.32 0.00 0.00 176.35 175.50 3f3f n LEU 297 N 4.26 1.86 -4.14 -0.68 4.77 0.12 -4.91 117.00 118.27 3f3f n LEU 297 Ca -0.16 0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 3f3f n LEU 297 Cb 0.52 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 3f3f n LEU 297 CO 0.33 0.09 -0.34 -0.44 -1.33 0.00 0.00 177.39 175.70 3f3f s SER 298 N -6.59 0.58 -0.02 -1.43 0.01 -1.20 -4.85 113.70 100.20 3f3f s SER 298 Ca -0.26 -1.10 -0.01 0.00 1.31 0.00 0.00 55.95 55.89 3f3f s SER 298 Cb 0.06 0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.52 3f3f s SER 298 CO 0.48 -0.63 0.05 -1.61 0.41 0.00 0.00 173.24 171.94 3f3f s GLU 299 N -3.96 0.04 -0.10 12.44 2.02 -1.26 -2.26 118.70 125.63 3f3f s GLU 299 Ca 0.16 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 55.23 3f3f s GLU 299 Cb 0.07 -0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.29 3f3f s GLU 299 CO -0.03 -0.06 0.22 -1.01 0.02 0.00 0.00 175.26 174.40 3f3f s HIS 300 N 0.38 -0.30 -1.19 1.61 3.76 -0.74 -4.93 115.29 113.89 3f3f s HIS 300 Ca -0.03 0.74 0.11 0.00 -0.15 0.00 0.00 55.06 55.73 3f3f s HIS 300 Cb -0.04 -0.01 0.23 0.00 1.11 0.00 0.00 32.58 33.86 3f3f s HIS 300 CO -0.01 -0.24 1.10 -0.40 -0.85 0.00 0.00 174.74 174.34 3f3f n ASP 301 N 4.44 2.56 -0.13 1.40 5.75 -1.26 -1.09 116.55 128.21 3f3f n ASP 301 Ca -0.22 -1.78 0.23 0.00 -0.01 0.00 0.00 54.79 53.00 3f3f n ASP 301 Cb 0.52 -0.14 0.35 0.00 -1.03 0.00 0.00 41.12 40.82 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 0.61 0.00 0.17 -1.12 9.92 -1.26 0.80 116.55 125.68 3f3f n ASP 302 Ca 0.10 0.67 0.07 0.00 -0.53 0.00 0.00 54.79 55.10 3f3f n ASP 302 Cb 0.38 -0.21 0.10 0.00 -0.64 0.00 0.00 41.12 40.74 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 -6.47 1.24 3.86 -1.83 -3.49 115.15 108.46 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 2.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 31.10 3f3f h HIS 303 CO 0.00 0.29 -0.96 0.09 0.86 0.00 0.00 177.93 178.21 3f3f n ASN 304 N -3.18 -5.49 0.00 2.45 3.02 0.24 -4.02 115.26 108.28 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 0.64 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 37.53 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 -1.28 0.05 3.77 7.41 0.00 -1.26 -4.61 105.19 109.27 3f3f n GLY 305 Ca -0.21 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.36 4.38 -0.43 1.61 2.02 -1.26 -3.45 118.70 120.22 3f3f s GLU 306 Ca 0.00 2.05 -0.17 0.00 0.02 0.00 0.00 54.97 56.87 3f3f s GLU 306 Cb 0.00 -3.04 0.02 0.00 0.10 0.00 0.00 34.13 31.22 3f3f s GLU 306 CO 0.00 -0.11 0.43 0.08 0.02 0.00 0.00 175.26 175.69 3f3f s VAL 307 N -1.19 5.10 -0.10 2.63 1.01 -0.80 -1.99 120.40 125.06 3f3f s VAL 307 Ca 0.49 -0.41 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 3f3f s VAL 307 Cb -0.36 -4.04 -0.28 0.00 0.00 0.00 0.00 36.38 31.69 3f3f s VAL 307 CO 0.48 -0.44 0.72 -0.50 0.00 0.00 0.00 175.10 175.36 3f3f h TRP 308 N 8.73 0.33 -4.03 5.22 4.06 -1.08 -3.36 115.95 125.83 3f3f h TRP 308 Ca -0.27 -0.24 -0.69 0.00 2.06 0.00 0.00 58.89 59.75 3f3f h TRP 308 Cb 1.11 -0.01 -0.29 0.00 -1.00 0.00 0.00 29.16 28.96 3f3f h TRP 308 CO 0.62 1.30 -0.85 0.45 -3.56 0.00 0.00 178.44 176.40 3f3f s SER 309 N -6.78 3.34 -0.08 -3.49 0.15 -1.12 -4.06 113.70 101.66 3f3f s SER 309 Ca -0.18 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 56.04 3f3f s SER 309 Cb 0.01 -0.85 0.03 0.00 -1.71 0.00 0.00 66.02 63.49 3f3f s SER 309 CO 0.76 0.27 -0.04 -0.69 1.20 0.00 0.00 173.24 174.74 3f3f s VAL 310 N -0.27 0.64 0.08 4.45 1.01 -1.26 -1.07 120.40 123.97 3f3f s VAL 310 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3f3f s VAL 310 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3f3f s VAL 310 CO 0.03 0.29 -0.06 -0.55 0.00 0.00 0.00 175.10 174.81 3f3f s SER 311 N 1.64 0.96 0.36 3.32 0.15 -0.35 -4.60 113.70 115.18 3f3f s SER 311 Ca 0.01 -0.91 0.09 0.00 0.70 0.00 0.00 55.95 55.85 3f3f s SER 311 Cb -0.13 0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.22 3f3f s SER 311 CO -0.05 -0.43 -0.03 0.26 1.20 0.00 0.00 173.24 174.19 3f3f s TRP 312 N -3.19 2.48 1.22 3.44 0.52 -1.26 0.37 118.94 122.52 3f3f s TRP 312 Ca 0.06 -0.51 -0.20 0.00 0.02 0.00 0.00 56.10 55.47 3f3f s TRP 312 Cb 0.02 -1.50 0.30 0.00 -1.15 0.00 0.00 33.47 31.14 3f3f s TRP 312 CO -0.04 0.51 1.13 1.21 0.02 0.00 0.00 176.95 179.77 3f3f s ASN 313 N -3.67 0.77 0.21 2.95 3.04 -0.13 -4.92 114.94 113.19 3f3f s ASN 313 Ca 0.34 0.52 0.20 0.00 0.04 0.00 0.00 52.86 53.96 3f3f s ASN 313 Cb 0.03 -0.68 0.02 0.00 -1.54 0.00 0.00 41.25 39.08 3f3f s ASN 313 CO 0.18 -4.20 1.12 0.17 -3.04 0.00 0.00 177.10 171.33 3f3f h LEU 314 N -2.64 0.00 -1.32 3.21 8.10 -1.98 -3.25 115.31 117.43 3f3f h LEU 314 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.56 3f3f h LEU 314 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.50 3f3f h LEU 314 CO 0.30 0.24 -0.21 0.35 -4.11 0.00 0.00 178.44 175.01 3f3f n THR 315 N -2.88 0.00 -2.48 0.15 -2.24 -1.26 -4.80 114.28 100.76 3f3f n THR 315 Ca -0.02 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 3f3f n THR 315 Cb 0.66 1.31 0.01 0.00 -2.10 0.00 0.00 70.33 70.20 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 1.19 -0.12 0.07 3.38 0.00 -1.23 -4.40 105.19 104.08 3f3f n GLY 316 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 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 0.89 -4.67 2.61 -1.04 -1.26 -4.87 114.28 101.92 3f3f n THR 317 Ca -0.11 -0.71 -0.23 0.00 -2.04 0.00 0.00 64.05 60.95 3f3f n THR 317 Cb 0.60 -0.34 -0.15 0.00 -1.82 0.00 0.00 70.33 68.62 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 -2.90 1.26 -0.04 12.58 1.01 -1.26 -4.48 121.20 127.37 3f3f s ILE 318 Ca -0.08 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.85 3f3f s ILE 318 Cb 0.09 -1.07 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3f3f s ILE 318 CO 0.85 0.28 -0.22 -0.22 0.00 0.00 0.00 174.94 175.63 3f3f s LEU 319 N -0.57 2.02 0.15 2.97 2.96 -0.42 -0.95 118.68 124.84 3f3f s LEU 319 Ca 0.05 -0.45 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 3f3f s LEU 319 Cb -0.07 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3f3f s LEU 319 CO -0.00 0.23 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.19 3f3f s SER 320 N -0.21 4.13 -0.06 3.68 1.04 0.16 -0.01 113.70 122.42 3f3f s SER 320 Ca -0.01 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 55.80 3f3f s SER 320 Cb -0.12 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.35 3f3f s SER 320 CO 0.02 0.14 0.19 -0.94 0.98 0.00 0.00 173.24 173.63 3f3f s SER 321 N -2.51 -0.18 0.03 7.02 1.04 -0.55 -1.21 113.70 117.33 3f3f s SER 321 Ca 0.22 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.99 3f3f s SER 321 Cb -0.10 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3f3f s SER 321 CO 0.13 -0.11 -0.06 0.00 0.98 0.00 0.00 173.24 174.18 3f3f s ALA 322 N -0.09 0.44 0.00 5.32 0.00 -0.24 -0.33 121.76 126.87 3f3f s ALA 322 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3f3f s ALA 322 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3f3f s ALA 322 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.13 3f3f n GLY 323 N 1.67 2.63 0.28 0.00 0.00 -1.17 -0.49 105.19 108.12 3f3f n GLY 323 Ca -0.22 -0.88 0.06 0.00 0.00 0.00 0.00 46.02 44.99 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 0.17 0.00 1.61 3.32 -1.69 -0.51 116.42 119.32 3f3f h ASP 324 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3f3f h ASP 324 Cb 0.00 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3f3f h ASP 324 CO 0.00 0.03 0.01 -0.90 -1.72 0.00 0.00 179.24 176.67 3f3f n ASP 325 N -5.07 0.00 -2.14 6.45 5.68 -1.26 -4.74 116.55 115.47 3f3f n ASP 325 Ca 0.15 0.06 -0.17 0.00 -0.50 0.00 0.00 54.79 54.33 3f3f n ASP 325 Cb 0.45 -0.06 0.01 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 -0.99 -0.28 3.13 6.12 0.00 -0.20 -5.00 105.19 107.97 3f3f n GLY 326 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -5.14 0.75 -0.13 1.61 1.02 -1.26 -4.62 119.74 111.98 3f3f s LYS 327 Ca 0.12 -0.83 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 3f3f s LYS 327 Cb -0.05 -0.70 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 3f3f s LYS 327 CO 0.15 0.16 -0.08 0.08 -0.92 0.00 0.00 175.35 174.74 3f3f s VAL 328 N -1.15 3.56 -0.04 3.17 1.01 0.63 -3.02 120.40 124.55 3f3f s VAL 328 Ca -0.03 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3f3f s VAL 328 Cb -0.09 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 3f3f s VAL 328 CO 0.01 0.52 -0.25 -0.13 0.00 0.00 0.00 175.10 175.26 3f3f s ARG 329 N 0.15 2.38 -0.13 2.72 0.52 0.56 0.37 118.95 125.51 3f3f s ARG 329 Ca -0.04 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3f3f s ARG 329 Cb -0.14 -2.12 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 3f3f s ARG 329 CO 0.04 0.46 -0.01 -0.51 0.02 0.00 0.00 175.30 175.30 3f3f s LEU 330 N -0.36 3.47 -0.04 2.53 1.43 -0.55 -1.49 118.68 123.67 3f3f s LEU 330 Ca 0.02 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3f3f s LEU 330 Cb -0.12 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3f3f s LEU 330 CO 0.02 0.25 -0.21 0.26 0.23 0.00 0.00 176.35 176.90 3f3f s TRP 331 N -0.12 2.03 0.24 0.29 0.52 0.98 -0.48 118.94 122.40 3f3f s TRP 331 Ca 0.04 -0.54 0.11 0.00 0.02 0.00 0.00 56.10 55.74 3f3f s TRP 331 Cb -0.13 -1.34 -0.05 0.00 -1.15 0.00 0.00 33.47 30.81 3f3f s TRP 331 CO 0.02 -0.15 -0.19 0.15 0.02 0.00 0.00 176.95 176.81 3f3f s LYS 332 N -0.19 1.71 0.08 4.98 -0.14 -0.58 -1.29 119.74 124.30 3f3f s LYS 332 Ca -0.00 -1.62 -0.15 0.00 -1.36 0.00 0.00 55.97 52.84 3f3f s LYS 332 Cb -0.11 -1.86 -0.06 0.00 -1.68 0.00 0.00 37.83 34.11 3f3f s LYS 332 CO 0.02 0.36 0.49 0.00 -0.76 0.00 0.00 175.35 175.46 3f3f s ALA 333 N -2.15 3.64 1.04 5.17 0.00 -1.26 -0.83 121.76 127.37 3f3f s ALA 333 Ca 0.27 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 3f3f s ALA 333 Cb -0.06 -2.47 0.22 0.00 0.00 0.00 0.00 23.12 20.81 3f3f s ALA 333 CO 0.14 0.47 1.23 0.99 0.00 0.00 0.00 175.76 178.58 3f3f s THR 334 N -1.26 1.86 0.20 0.00 2.01 0.53 -4.88 115.64 114.10 3f3f s THR 334 Ca 0.31 0.00 0.24 0.00 0.31 0.00 0.00 61.69 62.55 3f3f s THR 334 Cb -0.16 -2.79 0.23 0.00 0.01 0.00 0.00 72.50 69.78 3f3f s THR 334 CO 0.17 0.00 1.86 0.22 -0.69 0.00 0.00 174.62 176.18 3f3f h TYR 335 N -1.95 0.00 -0.01 4.92 3.20 -1.98 -1.92 116.97 119.24 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 -1.32 0.23 -0.15 -1.13 -1.64 0.00 0.00 178.16 174.14 3f3f n SER 336 N -3.46 0.76 0.00 -2.11 3.41 -1.26 -4.92 113.62 106.04 3f3f n SER 336 Ca -0.00 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 3f3f n SER 336 Cb 0.40 0.02 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 -0.74 -2.59 -4.52 4.04 2.85 -0.72 -5.05 115.26 108.53 3f3f n ASN 337 Ca 0.14 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.34 3f3f n ASN 337 Cb 0.31 -0.43 0.13 0.00 1.24 0.00 0.00 39.78 41.03 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 -0.84 1.38 -0.03 1.20 2.56 -1.26 -4.75 118.70 116.95 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 -2.08 -0.01 0.00 2.00 0.00 0.00 34.13 34.04 3f3f s GLU 338 CO 0.00 -1.81 -0.22 -0.06 -0.56 0.00 0.00 175.26 172.61 3f3f s PHE 339 N -3.50 2.04 -0.00 5.30 0.40 -1.26 -0.34 117.98 120.61 3f3f s PHE 339 Ca 0.68 -0.49 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 3f3f s PHE 339 Cb -0.06 -1.33 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 3f3f s PHE 339 CO 0.48 -0.11 -0.21 0.21 0.70 0.00 0.00 175.22 176.30 3f3f s LYS 340 N -0.31 1.61 -0.51 0.44 2.20 -0.01 -4.93 119.74 118.24 3f3f s LYS 340 Ca 0.03 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.57 3f3f s LYS 340 Cb -0.10 -1.59 0.01 0.00 -1.51 0.00 0.00 37.83 34.63 3f3f s LYS 340 CO 0.01 0.43 1.42 0.00 -0.36 0.00 0.00 175.35 176.85 3f3f n MET 342 N 8.44 1.14 0.00 0.00 0.00 0.37 -4.94 117.12 122.13 3f3f n MET 342 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 57.70 57.40 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 -0.54 0.00 -3.85 3.17 3.41 -1.21 -4.97 113.62 109.62 3f3f n SER 343 Ca 0.19 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.51 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 1.09 0.12 -3.33 1.01 -1.26 -1.49 120.40 114.55 3f3f s VAL 344 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3f3f s VAL 344 Cb 0.00 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3f3f s VAL 344 CO 0.00 -0.12 0.45 -0.63 0.00 0.00 0.00 175.10 174.81 3f3f s ILE 345 N 1.60 5.02 0.00 2.22 1.01 0.16 -4.93 121.20 126.29 3f3f s ILE 345 Ca -0.03 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3f3f s ILE 345 Cb -0.18 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3f3f s ILE 345 CO -0.07 0.20 0.05 1.07 0.00 0.00 0.00 174.94 176.19