#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3f s HIS 1 N 0.00 3.46 0.32 0.54 3.76 -1.26 -5.11 115.29 117.01 3f3f s HIS 1 Ca 0.00 0.71 0.09 0.00 -0.15 0.00 0.00 55.06 55.71 3f3f s HIS 1 Cb 0.00 -2.15 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 3f3f s HIS 1 CO 0.00 0.25 0.05 -1.64 -0.85 0.00 0.00 174.74 172.54 3f3f s MET 1 N -3.15 2.21 -0.46 1.40 -1.94 -1.26 -5.05 119.30 111.05 3f3f s MET 1 Ca 0.45 -1.61 -0.26 0.00 -1.71 0.00 0.00 55.69 52.55 3f3f s MET 1 Cb -0.11 -2.05 -0.07 0.00 2.01 0.00 0.00 34.83 34.61 3f3f s MET 1 CO 0.26 0.18 2.40 1.04 -0.01 0.00 0.00 175.02 178.89 3f3f n GLN 2 N -1.00 1.15 -0.62 2.03 1.13 -1.26 -4.96 117.38 113.85 3f3f n GLN 2 Ca -0.04 0.06 -0.31 0.00 -1.94 0.00 0.00 57.00 54.76 3f3f n GLN 2 Cb 0.61 -3.40 0.19 0.00 0.11 0.00 0.00 30.24 27.75 3f3f n GLN 2 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3f3f n PRO 3 N 8.97 -1.87 -3.75 -1.09 -0.02 -1.26 -5.04 135.00 130.94 3f3f n PRO 3 Ca 0.36 -0.53 -0.10 0.00 -2.02 0.00 0.00 63.50 61.22 3f3f n PRO 3 Cb 0.53 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 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 -2.26 -0.02 0.10 6.00 -0.12 -1.26 -5.15 117.98 115.28 3f3f s PHE 4 Ca 0.58 -0.36 -0.25 0.00 -0.05 0.00 0.00 56.93 56.85 3f3f s PHE 4 Cb -0.14 0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.28 3f3f s PHE 4 CO 0.66 -0.63 0.78 -0.51 -0.05 0.00 0.00 175.22 175.47 3f3f s ASP 5 N -2.84 7.30 0.07 1.98 1.01 -1.26 -4.97 116.67 117.97 3f3f s ASP 5 Ca 0.04 1.55 -0.16 0.00 0.71 0.00 0.00 52.55 54.70 3f3f s ASP 5 Cb 0.03 -2.49 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 3f3f s ASP 5 CO -0.11 0.10 1.29 0.77 0.21 0.00 0.00 175.17 177.43 3f3f h SER 6 N 5.05 0.74 0.00 0.27 4.64 -2.03 -3.47 113.55 118.74 3f3f h SER 6 Ca -0.45 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 3f3f h SER 6 Cb 1.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3f3f h SER 6 CO 0.69 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 178.47 3f3f n GLY 7 N 0.59 1.08 3.85 -0.77 0.00 -1.26 -5.05 105.19 103.62 3f3f n GLY 7 Ca -0.07 0.00 -0.36 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 3.63 -0.14 1.61 3.76 -1.26 -5.01 115.29 115.87 3f3f s HIS 8 Ca 0.00 0.99 -0.11 0.00 -0.15 0.00 0.00 55.06 55.79 3f3f s HIS 8 Cb 0.00 -2.31 -0.25 0.00 1.11 0.00 0.00 32.58 31.14 3f3f s HIS 8 CO 0.00 0.49 0.34 -0.25 -0.85 0.00 0.00 174.74 174.47 3f3f n ASP 9 N 1.00 2.07 -4.99 1.40 8.00 -1.26 -4.94 116.55 117.83 3f3f n ASP 9 Ca -0.07 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.51 3f3f n ASP 9 Cb 0.52 -0.90 -0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 -7.01 5.97 0.32 -2.24 -1.08 -1.26 -5.02 116.67 106.35 3f3f s ASP 10 Ca -0.24 -0.18 -0.27 0.00 -0.52 0.00 0.00 52.55 51.34 3f3f s ASP 10 Cb 0.06 -1.24 -0.13 0.00 -1.46 0.00 0.00 42.92 40.15 3f3f s ASP 10 CO 0.73 -0.43 0.98 0.00 0.52 0.00 0.00 175.17 176.97 3f3f n LEU 11 N -1.65 1.80 -4.72 -1.34 -0.00 -1.26 -4.33 117.00 105.50 3f3f n LEU 11 Ca -0.00 1.14 -0.38 0.00 -0.00 0.00 0.00 56.01 56.77 3f3f n LEU 11 Cb 0.58 -1.29 -0.06 0.00 -0.00 0.00 0.00 43.42 42.65 3f3f n LEU 11 CO 0.42 -1.50 0.18 -0.69 -0.00 0.00 0.00 177.39 175.79 3f3f s VAL 12 N -1.12 5.18 -0.23 1.47 1.01 -1.26 -1.04 120.40 124.41 3f3f s VAL 12 Ca 0.59 0.97 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 3f3f s VAL 12 Cb -0.67 -3.82 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 3f3f s VAL 12 CO 0.59 0.33 -0.11 1.41 0.00 0.00 0.00 175.10 177.32 3f3f n HIS 13 N 3.66 0.32 -3.92 5.22 8.25 -0.56 -4.98 115.22 123.21 3f3f n HIS 13 Ca -0.07 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3f3f n HIS 13 Cb 0.52 -1.04 -0.11 0.00 1.12 0.00 0.00 29.99 30.47 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 -6.88 0.11 -0.04 0.41 2.15 -1.21 -5.01 116.67 106.21 3f3f s ASP 14 Ca -0.33 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 52.40 3f3f s ASP 14 Cb 0.10 0.13 0.01 0.00 -0.30 0.00 0.00 42.92 42.86 3f3f s ASP 14 CO 0.60 -0.25 -0.09 -0.69 -0.17 0.00 0.00 175.17 174.57 3f3f s VAL 15 N -1.08 0.81 0.01 1.11 1.01 -1.26 -2.52 120.40 118.48 3f3f s VAL 15 Ca -0.12 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3f3f s VAL 15 Cb -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 3f3f s VAL 15 CO -0.00 0.26 -0.04 -0.69 0.00 0.00 0.00 175.10 174.64 3f3f s VAL 16 N 0.43 0.25 0.21 2.92 1.01 -0.50 -4.97 120.40 119.76 3f3f s VAL 16 Ca -0.07 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3f3f s VAL 16 Cb -0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.92 3f3f s VAL 16 CO 0.01 -0.17 0.49 -0.31 0.00 0.00 0.00 175.10 175.12 3f3f s TYR 17 N -0.67 3.45 0.08 5.22 2.02 -1.26 -0.46 117.35 125.74 3f3f s TYR 17 Ca -0.05 0.70 -0.01 0.00 -0.37 0.00 0.00 57.07 57.33 3f3f s TYR 17 Cb -0.05 -2.13 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3f3f s TYR 17 CO -0.00 0.31 0.11 -0.40 -1.57 0.00 0.00 175.55 174.00 3f3f n ASP 18 N -0.25 -0.01 -0.17 2.29 3.85 -0.53 -4.73 116.55 116.99 3f3f n ASP 18 Ca -0.01 -1.03 -0.09 0.00 -0.71 0.00 0.00 54.79 52.94 3f3f n ASP 18 Cb 0.53 -0.09 0.01 0.00 -1.35 0.00 0.00 41.12 40.22 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 -1.07 0.90 -0.00 2.11 3.57 -1.91 -3.15 116.94 117.38 3f3f h PHE 19 Ca -0.04 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3f3f h PHE 19 Cb 0.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3f3f h PHE 19 CO 0.00 0.82 -0.07 0.66 -2.23 0.00 0.00 178.31 177.49 3f3f n TYR 20 N -4.39 0.00 -0.99 0.41 4.02 -1.26 -4.92 117.16 110.03 3f3f n TYR 20 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3f3f n TYR 20 Cb 0.27 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 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 1.37 0.50 0.82 2.72 0.00 -1.19 -4.88 105.19 104.52 3f3f n GLY 21 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.40 1.97 -4.08 1.61 5.12 -1.26 -4.91 116.66 112.72 3f3f n ARG 22 Ca 0.00 -1.67 -0.12 0.00 -1.93 0.00 0.00 57.85 54.13 3f3f n ARG 22 Cb 0.06 -1.43 -0.11 0.00 -1.16 0.00 0.00 32.46 29.81 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 -1.97 0.66 -0.01 -1.55 3.76 -1.26 -1.98 115.29 112.95 3f3f s HIS 23 Ca 0.25 -0.61 -0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3f3f s HIS 23 Cb 0.18 -0.40 0.00 0.00 1.11 0.00 0.00 32.58 33.47 3f3f s HIS 23 CO 0.33 -0.12 0.01 0.08 -0.85 0.00 0.00 174.74 174.19 3f3f s VAL 24 N -1.95 0.00 -0.10 -0.90 1.01 -0.77 -1.46 120.40 116.23 3f3f s VAL 24 Ca -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3f3f s VAL 24 Cb -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 36.38 36.27 3f3f s VAL 24 CO -0.01 -0.00 -0.16 0.00 0.00 0.00 0.00 175.10 174.93 3f3f s ALA 25 N 0.01 2.54 0.00 5.51 0.00 0.40 -0.01 121.76 130.20 3f3f s ALA 25 Ca -0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.10 3f3f s ALA 25 Cb -0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3f3f s ALA 25 CO 0.00 0.35 -0.24 0.99 0.00 0.00 0.00 175.76 176.86 3f3f s THR 26 N 0.03 1.93 -0.02 0.00 2.01 0.23 -1.41 115.64 118.40 3f3f s THR 26 Ca -0.05 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.82 3f3f s THR 26 Cb -0.15 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.76 3f3f s THR 26 CO 0.05 0.46 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 3f3f n SER 28 N 3.62 1.12 0.23 0.00 3.41 -1.15 -1.49 113.62 119.36 3f3f n SER 28 Ca -0.21 -2.11 0.12 0.00 -0.26 0.00 0.00 58.87 56.41 3f3f n SER 28 Cb 0.54 0.52 0.43 0.00 -0.26 0.00 0.00 64.21 65.44 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 0.83 0.00 0.00 4.04 0.02 -1.28 -2.30 113.55 114.85 3f3f h SER 29 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3f3f h SER 29 Cb 0.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3f3f h SER 29 CO 0.26 0.13 0.00 -0.90 -1.14 0.00 0.00 176.83 175.18 3f3f n ASP 30 N -3.22 0.51 -3.81 3.07 5.68 -1.26 -4.14 116.55 113.38 3f3f n ASP 30 Ca 0.01 -1.28 -0.28 0.00 -0.50 0.00 0.00 54.79 52.75 3f3f n ASP 30 Cb 0.44 -0.26 0.04 0.00 -1.14 0.00 0.00 41.12 40.21 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 -6.27 -4.26 0.11 6.02 -1.14 -4.97 117.38 106.91 3f3f n GLN 31 Ca 0.00 0.67 -0.19 0.00 -0.01 0.00 0.00 57.00 57.47 3f3f n GLN 31 Cb 0.13 -5.61 -0.11 0.00 1.02 0.00 0.00 30.24 25.67 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 -3.32 1.52 -0.16 1.08 3.76 -1.26 -1.63 115.29 115.29 3f3f s HIS 32 Ca 0.62 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 3f3f s HIS 32 Cb -0.30 -0.79 0.03 0.00 1.11 0.00 0.00 32.58 32.63 3f3f s HIS 32 CO 0.80 0.19 -0.12 0.42 -0.85 0.00 0.00 174.74 175.18 3f3f s ILE 33 N -2.02 1.53 0.02 0.60 1.01 -0.49 -2.93 121.20 118.92 3f3f s ILE 33 Ca 0.10 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.09 3f3f s ILE 33 Cb -0.06 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3f3f s ILE 33 CO 0.04 0.37 -0.07 -0.54 0.00 0.00 0.00 174.94 174.74 3f3f s LYS 34 N 1.49 2.51 -0.13 2.79 1.02 0.54 -2.53 119.74 125.43 3f3f s LYS 34 Ca 0.03 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.28 3f3f s LYS 34 Cb -0.14 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3f3f s LYS 34 CO -0.10 0.59 -0.16 0.08 -0.92 0.00 0.00 175.35 174.84 3f3f s VAL 35 N -1.03 1.60 0.04 3.17 1.01 0.33 0.74 120.40 126.25 3f3f s VAL 35 Ca 0.18 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3f3f s VAL 35 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3f3f s VAL 35 CO 0.09 0.46 0.02 -0.36 0.00 0.00 0.00 175.10 175.31 3f3f s PHE 36 N 1.15 3.09 -0.04 5.22 0.40 0.98 0.72 117.98 129.50 3f3f s PHE 36 Ca -0.02 0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3f3f s PHE 36 Cb -0.14 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 3f3f s PHE 36 CO -0.05 0.48 -0.14 0.21 0.70 0.00 0.00 175.22 176.43 3f3f s LYS 37 N -1.91 2.48 -0.85 0.44 2.20 -0.54 -1.84 119.74 119.71 3f3f s LYS 37 Ca 0.23 -0.71 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 3f3f s LYS 37 Cb -0.12 -2.38 0.22 0.00 -1.51 0.00 0.00 37.83 34.04 3f3f s LYS 37 CO 0.15 0.62 0.81 -1.17 -0.36 0.00 0.00 175.35 175.40 3f3f s LEU 38 N -0.83 6.62 -0.08 5.43 2.96 -0.84 -0.81 118.68 131.14 3f3f s LEU 38 Ca 0.12 -2.70 -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 1.54 -0.67 -1.32 0.00 0.00 176.35 175.32 3f3f n ASP 39 N 4.09 2.04 0.30 3.68 2.03 -0.96 -4.88 116.55 122.84 3f3f n ASP 39 Ca 0.15 1.10 -0.17 0.00 0.52 0.00 0.00 54.79 56.39 3f3f n ASP 39 Cb 0.47 -1.18 -0.08 0.00 -0.72 0.00 0.00 41.12 39.61 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 5.87 -0.84 0.00 -0.67 1.57 -1.95 -3.28 116.57 117.27 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 0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.83 3f3f h LYS 40 CO 0.86 -0.56 0.00 -0.25 -0.57 0.00 0.00 179.45 178.94 3f3f n ASP 41 N -5.50 0.00 -4.44 0.86 8.00 -1.26 -4.15 116.55 110.07 3f3f n ASP 41 Ca -0.12 0.89 -0.44 0.00 0.71 0.00 0.00 54.79 55.83 3f3f n ASP 41 Cb 0.39 -0.39 -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 -2.54 4.51 0.00 -3.53 -4.23 -1.25 -4.92 115.64 103.67 3f3f s THR 42 Ca 0.00 -0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3f3f s THR 42 Cb 0.00 -4.59 0.00 0.00 1.34 0.00 0.00 72.50 69.25 3f3f s THR 42 CO 0.00 -1.29 0.56 -1.20 -0.54 0.00 0.00 174.62 172.15 3f3f n SER 43 N 7.20 0.00 -4.47 3.99 7.64 -1.24 -4.33 113.62 122.41 3f3f n SER 43 Ca -0.05 -1.40 -0.27 0.00 1.01 0.00 0.00 58.87 58.16 3f3f n SER 43 Cb 0.45 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.37 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 3.13 3.73 -0.11 6.43 -0.87 -1.26 -4.98 114.94 121.02 3f3f s ASN 44 Ca 0.00 -0.74 -0.19 0.00 -1.57 0.00 0.00 52.86 50.36 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 0.13 0.51 0.26 -2.57 0.00 0.00 177.10 175.43 3f3f s TRP 45 N -1.59 3.53 -0.03 2.20 0.52 -1.26 -2.28 118.94 120.04 3f3f s TRP 45 Ca 0.21 0.95 0.00 0.00 0.02 0.00 0.00 56.10 57.29 3f3f s TRP 45 Cb -0.09 -2.59 0.03 0.00 -1.15 0.00 0.00 33.47 29.68 3f3f s TRP 45 CO 0.11 0.17 0.01 -1.21 0.02 0.00 0.00 176.95 176.05 3f3f s GLU 46 N 0.61 0.16 -0.22 4.98 2.02 0.01 -4.95 118.70 121.31 3f3f s GLU 46 Ca 0.28 0.12 -0.41 0.00 0.02 0.00 0.00 54.97 54.98 3f3f s GLU 46 Cb -0.16 -0.38 -0.17 0.00 0.10 0.00 0.00 34.13 33.52 3f3f s GLU 46 CO 0.12 -0.15 1.55 -0.11 0.02 0.00 0.00 175.26 176.69 3f3f n LEU 47 N 4.15 1.72 -0.02 1.80 7.94 -1.26 -1.47 117.00 129.85 3f3f n LEU 47 Ca -0.27 1.12 -0.19 0.00 -1.11 0.00 0.00 56.01 55.55 3f3f n LEU 47 Cb 0.50 -1.07 -0.14 0.00 0.53 0.00 0.00 43.42 43.24 3f3f n LEU 47 CO 0.22 -0.81 -0.88 -0.24 -1.11 0.00 0.00 177.39 174.57 3f3f n SER 48 N 4.05 1.93 -3.62 1.96 2.88 0.22 -4.75 113.62 116.29 3f3f n SER 48 Ca 0.25 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.89 3f3f n SER 48 Cb 0.10 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.84 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 -6.82 -0.23 0.08 -3.46 3.68 -1.05 -0.75 116.67 108.12 3f3f s ASP 49 Ca -0.22 0.34 0.05 0.00 2.13 0.00 0.00 52.55 54.84 3f3f s ASP 49 Cb 0.07 0.30 -0.03 0.00 -1.45 0.00 0.00 42.92 41.81 3f3f s ASP 49 CO 0.75 -0.16 -0.13 -0.55 0.13 0.00 0.00 175.17 175.22 3f3f s SER 50 N -0.60 1.58 -0.15 -0.34 0.15 -1.26 -0.51 113.70 112.58 3f3f s SER 50 Ca 0.04 -0.68 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 3f3f s SER 50 Cb -0.02 -0.03 0.13 0.00 -1.71 0.00 0.00 66.02 64.38 3f3f s SER 50 CO -0.06 -0.14 1.01 -1.66 1.20 0.00 0.00 173.24 173.59 3f3f s TRP 51 N -1.65 -0.33 -0.02 3.44 -2.14 -1.05 -3.86 118.94 113.32 3f3f s TRP 51 Ca 0.00 0.50 -0.29 0.00 2.66 0.00 0.00 56.10 58.98 3f3f s TRP 51 Cb -0.08 0.47 -0.03 0.00 -3.10 0.00 0.00 33.47 30.73 3f3f s TRP 51 CO 0.02 -0.35 0.93 0.50 -2.66 0.00 0.00 176.95 175.39 3f3f s ARG 52 N -1.49 4.52 0.00 3.25 3.52 -1.26 -1.39 118.95 126.10 3f3f s ARG 52 Ca 0.01 1.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 3f3f s ARG 52 Cb -0.01 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3f3f s ARG 52 CO -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 175.30 174.43 3f3f n ALA 53 N 3.98 1.51 -2.14 6.12 0.00 -0.65 -4.95 120.51 124.38 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 0.01 -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 -1.51 0.76 -0.86 0.00 3.76 -1.25 -5.03 115.29 111.16 3f3f s HIS 54 Ca 0.00 -1.03 0.26 0.00 -0.15 0.00 0.00 55.06 54.15 3f3f s HIS 54 Cb 0.00 -0.48 0.78 0.00 1.11 0.00 0.00 32.58 33.99 3f3f s HIS 54 CO 0.00 -0.29 1.64 -0.25 -0.85 0.00 0.00 174.74 174.99 3f3f n ASP 55 N -0.00 0.45 -2.67 1.40 8.00 -1.26 -4.77 116.55 117.70 3f3f n ASP 55 Ca -0.12 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 3f3f n ASP 55 Cb 0.61 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.80 0.83 -4.68 -2.24 2.88 -1.26 -5.00 113.62 102.36 3f3f n SER 56 Ca 0.06 -2.18 -0.43 0.00 -1.33 0.00 0.00 58.87 54.99 3f3f n SER 56 Cb 0.38 0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 64.43 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 -1.86 4.01 -4.60 -3.46 2.88 -1.26 -4.34 113.62 104.99 3f3f n SER 57 Ca -0.02 0.96 -0.42 0.00 -1.33 0.00 0.00 58.87 58.07 3f3f n SER 57 Cb 0.33 -1.52 -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 3.33 4.81 -0.22 2.46 1.01 -0.88 -1.47 121.20 130.23 3f3f s ILE 58 Ca 0.85 0.97 -0.05 0.00 0.00 0.00 0.00 60.65 62.42 3f3f s ILE 58 Cb -0.49 -4.13 -0.19 0.00 0.01 0.00 0.00 42.46 37.66 3f3f s ILE 58 CO 0.40 -0.30 -0.06 0.52 0.00 0.00 0.00 174.94 175.51 3f3f n VAL 59 N 5.60 1.58 -4.40 2.92 0.31 -0.41 -3.84 118.33 120.09 3f3f n VAL 59 Ca 0.02 -0.52 -0.24 0.00 -0.01 0.00 0.00 64.34 63.59 3f3f n VAL 59 Cb 0.48 -1.63 -0.09 0.00 -0.91 0.00 0.00 33.84 31.70 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 3.02 0.21 3.52 0.00 -1.12 -4.01 121.76 120.87 3f3f s ALA 60 Ca -0.32 -1.89 -0.19 0.00 0.00 0.00 0.00 51.96 49.56 3f3f s ALA 60 Cb 0.09 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.87 3f3f s ALA 60 CO 0.63 0.18 0.57 -1.50 0.00 0.00 0.00 175.76 175.64 3f3f s ILE 61 N -2.49 0.02 -0.28 0.00 2.07 -1.26 -2.34 121.20 116.91 3f3f s ILE 61 Ca 0.32 -0.74 -0.27 0.00 -1.41 0.00 0.00 60.65 58.54 3f3f s ILE 61 Cb -0.03 -1.62 0.19 0.00 0.13 0.00 0.00 42.46 41.14 3f3f s ILE 61 CO 0.18 -0.07 1.36 -0.62 -1.91 0.00 0.00 174.94 173.88 3f3f s ASP 62 N -2.87 -0.08 0.04 4.50 2.15 -0.85 -4.86 116.67 114.69 3f3f s ASP 62 Ca 0.09 0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.17 3f3f s ASP 62 Cb -0.02 0.10 -0.04 0.00 -0.30 0.00 0.00 42.92 42.66 3f3f s ASP 62 CO -0.02 -0.05 0.19 0.26 -0.17 0.00 0.00 175.17 175.39 3f3f s TRP 63 N -0.58 3.52 0.51 -5.34 0.52 -1.26 -0.85 118.94 115.44 3f3f s TRP 63 Ca 0.07 0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.47 3f3f s TRP 63 Cb -0.03 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3f3f s TRP 63 CO -0.10 0.61 0.74 0.00 0.02 0.00 0.00 176.95 178.22 3f3f s ALA 64 N -1.44 3.70 0.40 0.98 0.00 -0.30 -4.76 121.76 120.34 3f3f s ALA 64 Ca 0.32 -1.06 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 3f3f s ALA 64 Cb -0.13 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.68 3f3f s ALA 64 CO 0.24 -0.57 1.48 0.45 0.00 0.00 0.00 175.76 177.37 3f3f s SER 65 N -4.29 6.17 0.63 0.00 0.15 -1.26 -4.75 113.70 110.35 3f3f s SER 65 Ca 0.52 3.04 0.37 0.00 0.70 0.00 0.00 55.95 60.58 3f3f s SER 65 Cb -0.10 -2.67 2.02 0.00 -1.71 0.00 0.00 66.02 63.56 3f3f s SER 65 CO 0.39 -0.99 2.13 -0.65 1.20 0.00 0.00 173.24 175.33 3f3f h PRO 66 N 2.77 0.00 -0.09 5.44 0.11 -1.96 -1.72 132.00 136.55 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 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3f3f h PRO 66 CO 0.63 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.57 3f3f n GLU 67 N -2.92 0.92 0.00 1.05 0.28 -1.26 -2.28 120.64 116.43 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 0.18 -1.04 0.00 0.00 1.43 0.00 0.00 31.44 32.01 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 -0.45 0.00 0.00 -1.84 4.01 -0.65 -5.13 117.16 113.10 3f3f n TYR 68 Ca 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3f3f n TYR 68 Cb 0.02 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.09 -0.89 3.34 2.72 0.00 -0.97 -4.84 105.19 104.47 3f3f n GLY 69 Ca 0.00 -2.16 -0.46 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.05 1.61 1.81 -1.26 -4.40 118.95 119.86 3f3f s ARG 70 Ca 0.00 -1.78 0.03 0.00 -1.72 0.00 0.00 55.73 52.26 3f3f s ARG 70 Cb 0.00 -4.37 0.01 0.00 -0.45 0.00 0.00 34.95 30.14 3f3f s ARG 70 CO 0.00 -1.42 -0.11 0.42 -0.68 0.00 0.00 175.30 173.51 3f3f s ILE 71 N 1.67 1.02 0.14 1.52 1.01 -1.26 -1.74 121.20 123.56 3f3f s ILE 71 Ca 0.11 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.41 3f3f s ILE 71 Cb -0.22 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3f3f s ILE 71 CO 0.00 0.32 -0.25 -0.63 0.00 0.00 0.00 174.94 174.38 3f3f s ILE 72 N 0.39 2.15 0.01 2.92 1.01 -0.64 -1.15 121.20 125.89 3f3f s ILE 72 Ca -0.08 -1.77 0.05 0.00 0.00 0.00 0.00 60.65 58.85 3f3f s ILE 72 Cb -0.12 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 3f3f s ILE 72 CO 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 174.94 174.81 3f3f s ALA 73 N -1.23 1.30 0.03 9.38 0.00 -0.03 -1.08 121.76 130.13 3f3f s ALA 73 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.36 3f3f s ALA 73 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 3f3f s ALA 73 CO 0.06 0.29 -0.10 -1.54 0.00 0.00 0.00 175.76 174.48 3f3f s SER 74 N -0.73 1.17 -0.06 0.00 1.04 -0.01 -2.01 113.70 113.11 3f3f s SER 74 Ca 0.05 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.14 3f3f s SER 74 Cb -0.07 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 3f3f s SER 74 CO 0.00 -0.02 -0.23 0.00 0.98 0.00 0.00 173.24 173.97 3f3f s ALA 75 N -0.81 2.00 0.28 5.32 0.00 -0.99 -1.14 121.76 126.42 3f3f s ALA 75 Ca -0.02 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3f3f s ALA 75 Cb -0.07 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 3f3f s ALA 75 CO 0.01 0.37 0.05 0.45 0.00 0.00 0.00 175.76 176.64 3f3f s SER 76 N -0.06 1.86 0.00 0.00 0.15 -0.87 -1.28 113.70 113.49 3f3f s SER 76 Ca -0.05 -1.34 0.21 0.00 0.70 0.00 0.00 55.95 55.47 3f3f s SER 76 Cb -0.14 0.02 1.03 0.00 -1.71 0.00 0.00 66.02 65.22 3f3f s SER 76 CO 0.04 -0.62 1.66 -1.22 1.20 0.00 0.00 173.24 174.30 3f3f n TYR 77 N -0.55 0.00 0.55 3.44 0.53 -0.54 -1.92 117.16 118.66 3f3f n TYR 77 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.84 3f3f n TYR 77 Cb 0.66 -0.32 0.07 0.00 -1.03 0.00 0.00 39.34 38.72 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 -1.32 2.55 -0.70 7.72 5.75 -1.26 -4.45 116.55 124.84 3f3f n ASP 78 Ca 0.09 -2.27 -0.09 0.00 -0.01 0.00 0.00 54.79 52.51 3f3f n ASP 78 Cb 0.18 -0.56 -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 0.14 -1.76 -4.50 0.11 5.02 -1.12 -4.97 118.16 111.07 3f3f n LYS 79 Ca 0.09 0.82 -0.24 0.00 -2.02 0.00 0.00 58.31 56.97 3f3f n LYS 79 Cb 0.59 -5.27 -0.10 0.00 -0.02 0.00 0.00 35.03 30.23 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 -1.77 1.93 -0.07 -0.18 -4.23 -1.26 -4.29 115.64 105.76 3f3f s THR 80 Ca 0.00 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.37 3f3f s THR 80 Cb 0.00 -2.60 0.02 0.00 1.34 0.00 0.00 72.50 71.26 3f3f s THR 80 CO 0.00 -0.22 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.09 3f3f s VAL 81 N -2.82 0.90 0.12 2.29 1.01 -1.10 -2.06 120.40 118.74 3f3f s VAL 81 Ca 0.32 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.09 3f3f s VAL 81 Cb 0.04 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3f3f s VAL 81 CO 0.15 0.32 -0.25 -0.54 0.00 0.00 0.00 175.10 174.78 3f3f s LYS 82 N 1.03 1.55 -0.04 2.72 1.02 -0.29 -1.22 119.74 124.51 3f3f s LYS 82 Ca -0.08 -1.27 0.06 0.00 0.02 0.00 0.00 55.97 54.69 3f3f s LYS 82 Cb -0.14 -1.97 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 3f3f s LYS 82 CO -0.00 0.47 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.16 3f3f s LEU 83 N -1.97 2.29 0.06 3.17 1.43 -1.15 -0.83 118.68 121.68 3f3f s LEU 83 Ca 0.15 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3f3f s LEU 83 Cb -0.10 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 3f3f s LEU 83 CO 0.07 0.32 -0.12 0.26 0.23 0.00 0.00 176.35 177.11 3f3f s TRP 84 N -0.58 1.02 -0.06 0.29 0.52 -0.24 0.82 118.94 120.70 3f3f s TRP 84 Ca 0.09 -0.50 0.02 0.00 0.02 0.00 0.00 56.10 55.73 3f3f s TRP 84 Cb -0.11 -0.58 0.02 0.00 -1.15 0.00 0.00 33.47 31.65 3f3f s TRP 84 CO 0.00 0.00 -0.10 -2.00 0.02 0.00 0.00 176.95 174.88 3f3f s GLU 85 N -1.81 1.42 0.17 4.98 2.12 -0.77 -1.62 118.70 123.19 3f3f s GLU 85 Ca -0.04 -0.31 -0.31 0.00 0.36 0.00 0.00 54.97 54.68 3f3f s GLU 85 Cb -0.09 -1.24 -0.08 0.00 0.26 0.00 0.00 34.13 32.97 3f3f s GLU 85 CO 0.01 -0.02 1.36 -2.00 -0.54 0.00 0.00 175.26 174.07 3f3f s GLU 86 N 0.81 4.35 -0.54 4.30 2.12 -0.71 -2.11 118.70 126.92 3f3f s GLU 86 Ca -0.12 2.09 -0.10 0.00 0.36 0.00 0.00 54.97 57.19 3f3f s GLU 86 Cb -0.15 -3.21 0.14 0.00 0.26 0.00 0.00 34.13 31.17 3f3f s GLU 86 CO 0.02 -0.35 0.42 0.34 -0.54 0.00 0.00 175.26 175.15 3f3f s ASP 87 N 0.68 5.83 0.19 -1.70 2.15 0.27 -4.86 116.67 119.23 3f3f s ASP 87 Ca 0.60 -2.10 0.09 0.00 0.43 0.00 0.00 52.55 51.57 3f3f s ASP 87 Cb -0.37 -2.04 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 3f3f s ASP 87 CO 0.35 -0.66 1.16 -0.81 -0.17 0.00 0.00 175.17 175.04 3f3f n PRO 88 N 4.68 0.06 -0.87 4.34 -0.04 -1.26 -2.50 135.00 139.41 3f3f n PRO 88 Ca -0.04 0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 63.73 3f3f n PRO 88 Cb 0.41 -1.88 0.09 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.79 4.71 -4.00 3.54 8.00 -1.26 -4.87 116.55 120.88 3f3f n ASP 89 Ca -0.01 -3.11 -0.13 0.00 0.71 0.00 0.00 54.79 52.25 3f3f n ASP 89 Cb 0.20 -0.83 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 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 -2.21 0.41 0.48 -1.24 -1.52 -1.04 -5.13 119.66 109.40 3f3f s GLN 90 Ca 0.38 -0.53 -0.23 0.00 -1.95 0.00 0.00 55.36 53.03 3f3f s GLN 90 Cb 0.31 -0.20 -0.07 0.00 -0.22 0.00 0.00 33.01 32.83 3f3f s GLN 90 CO 0.04 0.04 1.19 -1.21 -0.25 0.00 0.00 175.29 175.10 3f3f s GLU 91 N -1.10 3.65 0.43 2.91 2.02 -1.26 -4.97 118.70 120.38 3f3f s GLU 91 Ca -0.08 1.82 -0.23 0.00 0.02 0.00 0.00 54.97 56.50 3f3f s GLU 91 Cb -0.07 -2.36 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 3f3f s GLU 91 CO -0.00 -0.66 1.08 -1.21 0.02 0.00 0.00 175.26 174.49 3f3f s GLU 92 N -2.76 4.00 0.00 1.61 2.02 -1.26 -2.70 118.70 119.61 3f3f s GLU 92 Ca 0.65 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.21 3f3f s GLU 92 Cb -0.30 -2.45 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3f3f s GLU 92 CO 0.36 -0.29 0.00 0.00 0.02 0.00 0.00 175.26 175.34 3f3f n SER 94 N -0.05 0.53 0.00 0.00 3.41 -1.10 -4.81 113.62 111.61 3f3f n SER 94 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3f3f n SER 94 Cb 0.02 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 2.30 2.53 5.00 0.00 -1.25 -4.82 105.19 109.24 3f3f n GLY 95 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3f3f n GLY 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3f3f n ARG 96 N -2.00 2.01 -0.00 1.61 0.63 -1.26 -4.75 116.66 112.90 3f3f n ARG 96 Ca 0.00 -4.00 0.06 0.00 -0.92 0.00 0.00 57.85 52.99 3f3f n ARG 96 Cb 0.00 -1.90 -0.08 0.00 0.45 0.00 0.00 32.46 30.93 3f3f n ARG 96 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3f3f n ARG 97 N -0.01 1.47 -4.02 -0.14 0.63 -1.26 -4.83 116.66 108.50 3f3f n ARG 97 Ca 0.27 -0.07 -0.31 0.00 -0.92 0.00 0.00 57.85 56.82 3f3f n ARG 97 Cb 0.58 -1.19 -0.16 0.00 0.45 0.00 0.00 32.46 32.14 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 -2.54 2.53 -0.09 -0.14 0.52 -1.26 -0.56 118.94 117.39 3f3f s TRP 98 Ca -0.01 -1.65 -0.19 0.00 0.02 0.00 0.00 56.10 54.27 3f3f s TRP 98 Cb 0.08 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 3f3f s TRP 98 CO 0.49 -0.76 0.52 -0.80 0.02 0.00 0.00 176.95 176.41 3f3f s ASN 99 N 1.36 6.76 0.19 2.95 -0.87 -0.90 -4.83 114.94 119.61 3f3f s ASN 99 Ca -0.01 0.91 -0.31 0.00 -1.57 0.00 0.00 52.86 51.87 3f3f s ASN 99 Cb -0.16 -2.31 -0.11 0.00 -0.02 0.00 0.00 41.25 38.65 3f3f s ASN 99 CO -0.09 0.01 1.59 -0.75 -2.57 0.00 0.00 177.10 175.30 3f3f s LYS 100 N 0.49 4.19 -0.01 -0.60 2.20 -1.26 -1.85 119.74 122.90 3f3f s LYS 100 Ca 0.28 2.42 0.20 0.00 -0.36 0.00 0.00 55.97 58.51 3f3f s LYS 100 Cb -0.16 -3.13 -0.24 0.00 -1.51 0.00 0.00 37.83 32.79 3f3f s LYS 100 CO 0.12 -0.62 0.71 1.28 -0.36 0.00 0.00 175.35 176.48 3f3f n LEU 101 N 3.73 0.64 0.00 5.43 4.77 0.24 -4.93 117.00 126.88 3f3f n LEU 101 Ca 0.13 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3f3f n LEU 101 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3f3f n LEU 101 CO 0.62 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.84 3f3f s THR 103 N -2.00 -0.02 -0.29 0.00 2.01 -1.26 -2.93 115.64 111.15 3f3f s THR 103 Ca 0.00 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.05 3f3f s THR 103 Cb 0.00 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.45 3f3f s THR 103 CO 0.00 0.03 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.20 3f3f s LEU 104 N 0.43 3.76 0.00 4.42 1.43 -0.36 -4.96 118.68 123.40 3f3f s LEU 104 Ca -0.03 -1.14 0.18 0.00 -1.03 0.00 0.00 54.13 52.10 3f3f s LEU 104 Cb -0.05 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.56 3f3f s LEU 104 CO -0.01 -0.23 1.04 -0.46 0.23 0.00 0.00 176.35 176.91 3f3f n ASN 105 N 4.66 2.33 -0.27 2.29 6.94 -1.26 -2.73 115.26 127.22 3f3f n ASN 105 Ca -0.14 -1.67 0.26 0.00 -0.02 0.00 0.00 54.58 53.01 3f3f n ASN 105 Cb 0.44 0.11 0.61 0.00 -2.36 0.00 0.00 39.78 38.58 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 3.20 0.25 -3.42 0.53 5.19 -1.93 -3.41 116.42 116.83 3f3f h ASP 106 Ca 0.00 0.04 -0.52 0.00 -0.62 0.00 0.00 57.03 55.92 3f3f h ASP 106 Cb 0.72 -0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.28 3f3f h ASP 106 CO 0.00 0.07 0.70 -0.55 -3.12 0.00 0.00 179.24 176.34 3f3f s SER 107 N -5.41 6.77 -0.05 6.45 0.15 -1.26 -4.90 113.70 115.45 3f3f s SER 107 Ca -0.07 2.56 0.16 0.00 0.70 0.00 0.00 55.95 59.29 3f3f s SER 107 Cb 0.23 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.42 3f3f s SER 107 CO 0.79 -0.61 1.42 2.29 1.20 0.00 0.00 173.24 178.33 3f3f n LYS 108 N 2.32 3.03 -4.06 5.44 2.85 -1.26 -4.85 118.16 121.64 3f3f n LYS 108 Ca 0.06 -2.47 -0.08 0.00 -1.05 0.00 0.00 58.31 54.77 3f3f n LYS 108 Cb 0.41 -1.54 -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 -1.10 0.56 0.85 2.58 0.00 -1.26 -4.85 107.32 104.10 3f3f s GLY 109 Ca 0.37 -1.16 -0.13 0.00 0.00 0.00 0.00 44.72 43.80 3f3f s GLY 109 CO 0.21 -1.21 0.85 1.44 0.00 0.00 0.00 173.10 174.39 3f3f n SER 110 N -0.00 -0.33 -4.53 1.64 7.64 -1.26 -4.41 113.62 112.36 3f3f n SER 110 Ca -0.11 0.49 -0.34 0.00 1.01 0.00 0.00 58.87 59.93 3f3f n SER 110 Cb 0.62 -1.37 -0.12 0.00 -1.01 0.00 0.00 64.21 62.34 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 -3.53 3.15 -0.07 -3.43 1.43 -0.81 -0.88 118.68 114.54 3f3f s LEU 111 Ca 0.67 -0.09 0.14 0.00 -1.03 0.00 0.00 54.13 53.82 3f3f s LEU 111 Cb -0.27 -1.72 -0.21 0.00 0.03 0.00 0.00 46.19 44.02 3f3f s LEU 111 CO 0.58 0.27 0.22 -1.22 0.23 0.00 0.00 176.35 176.43 3f3f n TYR 112 N 2.81 0.00 -3.76 0.29 4.02 -0.29 -4.26 117.16 115.97 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 -0.51 -0.09 0.00 -0.02 0.00 0.00 39.34 39.26 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 -4.20 -0.19 -0.16 7.72 0.15 -1.14 -4.26 113.70 111.61 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 0.08 0.32 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 3f3f s SER 113 CO 0.62 -0.45 0.37 0.54 1.20 0.00 0.00 173.24 175.53 3f3f s VAL 114 N -1.32 -0.17 -0.02 4.45 0.11 -1.26 -2.11 120.40 120.09 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 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3f3f s VAL 114 CO 0.04 0.05 -0.02 -0.54 -3.33 0.00 0.00 175.10 171.31 3f3f s LYS 115 N 1.67 0.39 0.65 1.54 -0.14 -0.58 -4.55 119.74 118.72 3f3f s LYS 115 Ca -0.07 -0.01 -0.14 0.00 -1.36 0.00 0.00 55.97 54.38 3f3f s LYS 115 Cb -0.10 -0.49 -0.01 0.00 -1.68 0.00 0.00 37.83 35.56 3f3f s LYS 115 CO -0.12 -0.07 1.08 -0.06 -0.76 0.00 0.00 175.35 175.42 3f3f s PHE 116 N 0.70 2.85 0.59 3.18 0.08 -1.26 -1.34 117.98 122.77 3f3f s PHE 116 Ca -0.07 1.51 -0.02 0.00 0.12 0.00 0.00 56.93 58.47 3f3f s PHE 116 Cb -0.11 -3.04 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 3f3f s PHE 116 CO -0.01 -1.38 0.84 0.00 -0.10 0.00 0.00 175.22 174.58 3f3f s ALA 117 N -2.55 3.61 0.30 5.36 0.00 -0.57 -4.82 121.76 123.09 3f3f s ALA 117 Ca 0.63 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.18 3f3f s ALA 117 Cb -0.17 -2.28 -0.11 0.00 0.00 0.00 0.00 23.12 20.55 3f3f s ALA 117 CO 0.43 -0.86 1.56 -2.14 0.00 0.00 0.00 175.76 174.74 3f3f s PRO 118 N -4.90 4.14 0.37 0.00 0.02 -1.26 -4.80 135.00 128.57 3f3f s PRO 118 Ca 0.57 2.54 0.17 0.00 0.02 0.00 0.00 61.00 64.30 3f3f s PRO 118 Cb -0.10 -3.02 1.11 0.00 0.02 0.00 0.00 34.50 32.50 3f3f s PRO 118 CO 0.41 -0.59 1.70 0.00 -0.33 0.00 0.00 177.00 178.19 3f3f h ALA 119 N 4.56 2.12 0.00 -1.55 0.00 -1.93 -1.15 119.26 121.30 3f3f h ALA 119 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3f3f h ALA 119 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3f3f h ALA 119 CO 0.77 -0.65 0.00 -2.39 0.00 0.00 0.00 179.25 176.97 3f3f n HIS 120 N -4.85 0.00 -0.51 0.00 1.44 -1.26 -0.49 115.22 109.54 3f3f n HIS 120 Ca 0.30 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 3f3f n HIS 120 Cb 0.98 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 31.08 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 -0.09 0.65 0.00 2.39 4.77 -0.43 -5.15 117.00 119.14 3f3f n LEU 121 Ca 0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 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 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3f3f n GLY 122 N -0.08 -0.47 3.62 -0.72 0.00 0.36 -4.73 105.19 103.17 3f3f n GLY 122 Ca 0.00 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.41 3.73 0.09 0.99 1.02 -1.26 -4.70 118.68 117.14 3f3f s LEU 123 Ca 0.00 1.37 -0.04 0.00 0.02 0.00 0.00 54.13 55.48 3f3f s LEU 123 Cb 0.00 -3.53 -0.02 0.00 0.02 0.00 0.00 46.19 42.65 3f3f s LEU 123 CO 0.00 -1.40 0.09 -0.75 0.02 0.00 0.00 176.35 174.31 3f3f s LYS 124 N 4.95 0.79 0.13 1.70 2.20 -1.26 -1.55 119.74 126.69 3f3f s LYS 124 Ca 0.71 -1.16 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 3f3f s LYS 124 Cb -0.22 0.27 0.07 0.00 -1.51 0.00 0.00 37.83 36.45 3f3f s LYS 124 CO 0.31 -0.21 0.83 -0.48 -0.36 0.00 0.00 175.35 175.44 3f3f s LEU 125 N -2.92 -0.32 0.09 5.43 0.05 -0.52 -1.51 118.68 118.98 3f3f s LEU 125 Ca 0.10 -0.25 0.02 0.00 0.05 0.00 0.00 54.13 54.04 3f3f s LEU 125 Cb 0.06 2.29 -0.04 0.00 -2.05 0.00 0.00 46.19 46.46 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 0.93 0.04 1.48 0.00 -0.45 -1.02 121.76 119.31 3f3f s ALA 126 Ca 0.08 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.53 3f3f s ALA 126 Cb -0.02 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3f3f s ALA 126 CO -0.03 -0.23 0.44 0.00 0.00 0.00 0.00 175.76 175.94 3f3f s LEU 128 N -1.93 1.03 0.00 0.00 2.96 -0.89 -1.52 118.68 118.33 3f3f s LEU 128 Ca -0.06 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 3f3f s LEU 128 Cb -0.01 0.86 0.00 0.00 0.50 0.00 0.00 46.19 47.54 3f3f s LEU 128 CO -0.01 -0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 3f3f n GLY 129 N 2.96 5.28 0.31 7.98 0.00 -1.26 -1.14 105.19 119.32 3f3f n GLY 129 Ca -0.13 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 1.01 0.00 1.61 -0.26 -1.24 -2.43 115.58 114.27 3f3f h ASN 130 Ca 0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 3f3f h ASN 130 Cb 0.00 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 36.99 3f3f h ASN 130 CO 0.00 1.02 0.02 -0.90 -1.06 0.00 0.00 177.43 176.51 3f3f n ASP 131 N -4.21 0.00 -1.98 5.81 3.85 -1.26 -4.77 116.55 113.98 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 0.30 -0.23 -0.05 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 0.68 3.10 6.12 0.00 -0.92 -4.78 105.19 108.18 3f3f n GLY 132 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.15 0.21 -0.61 1.01 -1.26 -1.22 121.20 118.67 3f3f s ILE 133 Ca 0.00 -1.27 -0.30 0.00 0.00 0.00 0.00 60.65 59.08 3f3f s ILE 133 Cb 0.00 -2.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 3f3f s ILE 133 CO 0.00 0.26 1.04 -0.22 0.00 0.00 0.00 174.94 176.02 3f3f s LEU 134 N 1.20 4.55 -0.03 2.97 0.20 -0.58 -4.37 118.68 122.62 3f3f s LEU 134 Ca -0.02 2.05 0.02 0.00 0.69 0.00 0.00 54.13 56.88 3f3f s LEU 134 Cb -0.16 -3.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.99 3f3f s LEU 134 CO -0.09 -0.08 -0.09 -0.13 -0.29 0.00 0.00 176.35 175.67 3f3f s ARG 135 N -0.77 1.00 -0.10 1.98 0.52 -0.57 -1.74 118.95 119.27 3f3f s ARG 135 Ca 0.46 -0.30 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3f3f s ARG 135 Cb -0.28 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.23 3f3f s ARG 135 CO 0.35 0.10 -0.03 -0.51 0.02 0.00 0.00 175.30 175.22 3f3f s LEU 136 N 0.26 3.34 0.06 2.53 1.43 -0.75 -1.92 118.68 123.64 3f3f s LEU 136 Ca -0.04 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 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 0.32 -0.22 -0.31 0.23 0.00 0.00 176.35 176.38 3f3f s TYR 137 N -0.55 1.88 -0.04 0.29 2.02 -0.19 -0.05 117.35 120.71 3f3f s TYR 137 Ca 0.09 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3f3f s TYR 137 Cb -0.12 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3f3f s TYR 137 CO 0.02 0.13 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.50 3f3f s ASP 138 N -1.39 1.67 -1.22 2.29 1.11 -0.22 -1.44 116.67 117.46 3f3f s ASP 138 Ca 0.08 -0.27 -0.07 0.00 0.18 0.00 0.00 52.55 52.47 3f3f s ASP 138 Cb -0.09 -0.48 0.21 0.00 1.07 0.00 0.00 42.92 43.62 3f3f s ASP 138 CO 0.03 0.10 1.83 0.00 1.18 0.00 0.00 175.17 178.30 3f3f n ALA 139 N 3.28 5.50 -0.26 5.23 0.00 -0.60 -1.35 120.51 132.31 3f3f n ALA 139 Ca -0.19 -4.44 0.04 0.00 0.00 0.00 0.00 53.44 48.85 3f3f n ALA 139 Cb 0.53 -2.77 0.09 0.00 0.00 0.00 0.00 19.45 17.31 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 2.82 -0.29 -4.24 0.00 4.77 -1.24 -3.11 117.00 115.72 3f3f n LEU 140 Ca 0.39 1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 57.18 3f3f n LEU 140 Cb 0.34 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 3f3f n LEU 140 CO 0.77 -1.18 0.04 -1.61 -1.33 0.00 0.00 177.39 174.09 3f3f s GLU 141 N -5.88 2.66 0.00 3.23 2.02 -1.26 -4.94 118.70 114.54 3f3f s GLU 141 Ca -0.11 -1.80 0.00 0.00 0.02 0.00 0.00 54.97 53.08 3f3f s GLU 141 Cb 0.19 -4.04 0.00 0.00 0.10 0.00 0.00 34.13 30.37 3f3f s GLU 141 CO 0.56 -1.24 0.64 -2.30 0.02 0.00 0.00 175.26 172.94 3f3f n PRO 142 N 4.92 0.00 0.04 0.39 -0.02 -1.18 -0.36 135.00 138.80 3f3f n PRO 142 Ca -0.08 0.19 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 3f3f n PRO 142 Cb 0.41 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.01 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 0.49 -2.89 2.55 4.64 -1.92 -3.41 113.55 113.01 3f3f h SER 143 Ca 0.00 -0.84 -0.73 0.00 -0.47 0.00 0.00 61.79 59.76 3f3f h SER 143 Cb 0.46 -0.16 -0.21 0.00 -0.31 0.00 0.00 62.40 62.18 3f3f h SER 143 CO 0.00 1.72 0.62 -1.81 -0.87 0.00 0.00 176.83 176.49 3f3f s ASP 144 N -7.10 6.73 0.00 4.97 1.01 0.52 -4.88 116.67 117.91 3f3f s ASP 144 Ca -0.16 -2.37 0.00 0.00 0.71 0.00 0.00 52.55 50.73 3f3f s ASP 144 Cb 0.06 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.66 3f3f s ASP 144 CO 0.83 -0.86 1.81 0.18 0.21 0.00 0.00 175.17 177.33 3f3f n LEU 145 N 5.53 4.84 0.00 1.23 4.77 -1.26 -1.29 117.00 130.81 3f3f n LEU 145 Ca 0.22 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 3f3f n LEU 145 Cb 0.48 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3f3f n LEU 145 CO 0.45 0.91 -0.05 0.54 -1.33 0.00 0.00 177.39 177.91 3f3f n ARG 146 N 1.52 4.23 -0.72 3.23 1.74 -1.26 -4.67 116.66 120.72 3f3f n ARG 146 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 3f3f n ARG 146 Cb 0.46 -0.55 -0.05 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 -0.27 4.55 -4.48 0.55 2.88 -0.41 -4.87 113.62 111.56 3f3f n SER 147 Ca 0.00 -2.26 -0.43 0.00 -1.33 0.00 0.00 58.87 54.85 3f3f n SER 147 Cb 0.01 -1.04 -0.05 0.00 -0.75 0.00 0.00 64.21 62.38 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 2.78 2.90 0.37 0.66 0.52 -1.26 -3.70 118.94 121.21 3f3f s TRP 148 Ca 0.42 -0.29 -0.02 0.00 0.02 0.00 0.00 56.10 56.22 3f3f s TRP 148 Cb 0.14 -3.86 -0.04 0.00 -1.15 0.00 0.00 33.47 28.56 3f3f s TRP 148 CO -0.02 -1.23 0.62 0.99 0.02 0.00 0.00 176.95 177.32 3f3f s THR 149 N 3.37 5.03 -0.37 2.01 2.01 -0.46 -4.89 115.64 122.34 3f3f s THR 149 Ca 0.23 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 3f3f s THR 149 Cb -0.16 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3f3f s THR 149 CO 0.15 -0.59 0.40 -0.22 -0.69 0.00 0.00 174.62 173.68 3f3f s LEU 150 N -4.27 4.57 0.07 4.42 0.20 -1.26 -1.06 118.68 121.36 3f3f s LEU 150 Ca 0.43 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.90 3f3f s LEU 150 Cb -0.10 -2.38 -0.25 0.00 -0.43 0.00 0.00 46.19 43.03 3f3f s LEU 150 CO 0.37 -0.44 1.11 0.74 -0.29 0.00 0.00 176.35 177.84 3f3f h THR 151 N 5.61 1.48 -2.40 3.68 2.02 -0.79 -3.48 112.91 119.03 3f3f h THR 151 Ca -0.28 -3.13 0.06 0.00 0.77 0.00 0.00 66.41 63.83 3f3f h THR 151 Cb 1.13 2.84 -0.15 0.00 -1.74 0.00 0.00 68.15 70.23 3f3f h THR 151 CO 0.74 0.88 0.41 -0.55 0.37 0.00 0.00 175.52 177.37 3f3f s SER 152 N -6.88 -0.44 -0.06 4.18 0.15 -1.08 -4.94 113.70 104.63 3f3f s SER 152 Ca -0.03 0.07 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 3f3f s SER 152 Cb 0.08 0.44 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3f3f s SER 152 CO 0.85 -0.69 0.13 -1.61 1.20 0.00 0.00 173.24 173.12 3f3f s GLU 153 N -3.02 0.05 -0.01 5.44 2.02 -1.26 -1.80 118.70 120.11 3f3f s GLU 153 Ca 0.03 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.42 3f3f s GLU 153 Cb -0.01 -0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.00 3f3f s GLU 153 CO -0.08 -0.20 -0.08 -1.64 0.02 0.00 0.00 175.26 173.28 3f3f s MET 154 N 1.42 0.75 -0.57 1.61 -1.94 -0.71 -4.99 119.30 114.87 3f3f s MET 154 Ca -0.06 -0.28 -0.23 0.00 -1.71 0.00 0.00 55.69 53.40 3f3f s MET 154 Cb -0.12 -0.73 0.05 0.00 2.01 0.00 0.00 34.83 36.04 3f3f s MET 154 CO -0.05 0.14 0.92 0.15 -0.01 0.00 0.00 175.02 176.16 3f3f s LYS 155 N -0.01 3.27 -0.05 2.03 1.02 -1.26 -1.52 119.74 123.22 3f3f s LYS 155 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 3f3f s LYS 155 Cb -0.05 -4.09 -0.19 0.00 -0.52 0.00 0.00 37.83 32.98 3f3f s LYS 155 CO -0.00 -1.52 1.02 0.28 -0.92 0.00 0.00 175.35 174.20 3f3f h VAL 156 N 5.99 1.16 -3.19 3.17 2.07 -1.53 -3.40 116.25 120.51 3f3f h VAL 156 Ca -0.27 -1.27 -0.61 0.00 0.82 0.00 0.00 66.70 65.38 3f3f h VAL 156 Cb 1.07 1.92 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 3f3f h VAL 156 CO 1.09 0.29 -0.41 -0.76 0.02 0.00 0.00 177.57 177.80 3f3f s LEU 157 N -9.00 4.26 0.08 2.57 1.43 -1.21 -4.98 118.68 111.83 3f3f s LEU 157 Ca -0.15 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.13 3f3f s LEU 157 Cb 0.00 -2.22 -0.12 0.00 0.03 0.00 0.00 46.19 43.89 3f3f s LEU 157 CO 0.58 0.19 1.62 0.77 0.23 0.00 0.00 176.35 179.73 3f3f h SER 158 N 6.37 0.14 -3.61 2.29 4.64 -1.91 -3.38 113.55 118.09 3f3f h SER 158 Ca -0.43 -0.15 -0.64 0.00 -0.47 0.00 0.00 61.79 60.10 3f3f h SER 158 Cb 1.17 -0.04 -0.39 0.00 -0.31 0.00 0.00 62.40 62.83 3f3f h SER 158 CO 0.73 0.25 -0.75 -0.63 -0.87 0.00 0.00 176.83 175.56 3f3f s ILE 159 N -5.60 1.88 -0.26 0.95 1.01 -1.26 -5.08 121.20 112.84 3f3f s ILE 159 Ca -0.14 -1.88 -0.28 0.00 0.00 0.00 0.00 60.65 58.35 3f3f s ILE 159 Cb 0.06 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3f3f s ILE 159 CO 0.69 -0.44 2.00 -2.16 0.00 0.00 0.00 174.94 175.03 3f3f s PRO 160 N 1.15 3.26 0.15 2.79 0.04 -1.26 -4.86 135.00 136.27 3f3f s PRO 160 Ca 0.05 1.75 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 3f3f s PRO 160 Cb -0.19 -4.28 0.20 0.00 0.04 0.00 0.00 34.50 30.28 3f3f s PRO 160 CO -0.10 -1.95 0.95 -2.30 0.04 0.00 0.00 177.00 173.64 3f3f n PRO 161 N 8.56 -0.11 -2.62 0.56 -0.02 -1.26 -4.86 135.00 135.25 3f3f n PRO 161 Ca 0.26 0.95 -0.17 0.00 -2.02 0.00 0.00 63.50 62.52 3f3f n PRO 161 Cb 0.46 -1.41 0.01 0.00 -0.02 0.00 0.00 33.50 32.54 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 -3.72 -0.64 -2.50 3.55 0.00 -1.26 -5.05 120.51 110.90 3f3f n ALA 162 Ca 0.08 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.45 3f3f n ALA 162 Cb 0.27 -2.59 -0.13 0.00 0.00 0.00 0.00 19.45 17.00 3f3f n ALA 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f3f s ASN 163 N -2.56 2.64 -0.26 0.00 2.20 -1.26 -4.82 114.94 110.87 3f3f s ASN 163 Ca 0.14 -0.65 -0.03 0.00 -0.94 0.00 0.00 52.86 51.37 3f3f s ASN 163 Cb -0.06 -0.17 0.03 0.00 -2.00 0.00 0.00 41.25 39.05 3f3f s ASN 163 CO 0.17 0.11 0.08 1.41 -2.94 0.00 0.00 177.10 175.93 3f3f n HIS 164 N 1.28 -1.60 -1.97 1.54 8.25 -1.26 -3.08 115.22 118.37 3f3f n HIS 164 Ca -0.19 0.10 -0.07 0.00 -0.26 0.00 0.00 57.72 57.30 3f3f n HIS 164 Cb 0.53 -0.98 -0.01 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.38 -0.14 -2.57 2.41 4.77 -1.26 -4.61 117.00 113.22 3f3f n LEU 165 Ca 0.02 -0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.47 3f3f n LEU 165 Cb 0.42 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3f3f n LEU 165 CO 0.13 0.02 1.51 1.67 -1.33 0.00 0.00 177.39 179.39 3f3f n GLN 166 N -1.09 2.53 -4.37 3.23 7.27 -1.18 -4.91 117.38 118.87 3f3f n GLN 166 Ca 0.02 -2.91 -0.27 0.00 0.07 0.00 0.00 57.00 53.90 3f3f n GLN 166 Cb 0.08 -2.16 -0.13 0.00 2.41 0.00 0.00 30.24 30.44 3f3f n GLN 166 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3f3f s SER 167 N -0.65 3.14 -0.00 1.69 1.04 -1.26 -5.07 113.70 112.58 3f3f s SER 167 Ca 0.54 -0.75 -0.02 0.00 0.48 0.00 0.00 55.95 56.20 3f3f s SER 167 Cb 0.41 -0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3f3f s SER 167 CO -0.24 0.14 0.04 -0.62 0.98 0.00 0.00 173.24 173.54 3f3f s ASP 168 N -2.10 0.05 -0.05 7.02 -1.08 -1.26 -5.05 116.67 114.20 3f3f s ASP 168 Ca 0.13 -0.12 -0.07 0.00 -0.52 0.00 0.00 52.55 51.97 3f3f s ASP 168 Cb -0.10 0.12 0.01 0.00 -1.46 0.00 0.00 42.92 41.50 3f3f s ASP 168 CO 0.06 -0.16 0.17 -0.36 0.52 0.00 0.00 175.17 175.40 3f3f s PHE 169 N -0.64 -0.14 0.02 -5.34 0.40 -1.26 -1.51 117.98 109.51 3f3f s PHE 169 Ca -0.07 0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 56.54 3f3f s PHE 169 Cb -0.04 0.04 -0.01 0.00 0.51 0.00 0.00 43.02 43.51 3f3f s PHE 169 CO -0.00 -0.15 0.08 0.00 0.70 0.00 0.00 175.22 175.85 3f3f s LEU 171 N -1.80 2.45 -0.30 0.00 1.43 -1.26 -1.14 118.68 118.06 3f3f s LEU 171 Ca -0.10 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 51.97 3f3f s LEU 171 Cb -0.05 -0.45 0.17 0.00 0.03 0.00 0.00 46.19 45.90 3f3f s LEU 171 CO -0.02 -0.23 1.02 -0.55 0.23 0.00 0.00 176.35 176.80 3f3f s SER 172 N -2.73 -0.53 0.61 2.29 0.15 -0.96 -4.88 113.70 107.66 3f3f s SER 172 Ca 0.11 0.60 -0.10 0.00 0.70 0.00 0.00 55.95 57.27 3f3f s SER 172 Cb -0.02 1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 65.81 3f3f s SER 172 CO 0.02 -0.10 0.99 0.26 1.20 0.00 0.00 173.24 175.61 3f3f s TRP 173 N 2.54 3.54 -0.32 3.44 0.52 -1.26 -0.66 118.94 126.74 3f3f s TRP 173 Ca -0.01 1.13 -0.27 0.00 0.02 0.00 0.00 56.10 56.97 3f3f s TRP 173 Cb -0.07 -2.71 0.01 0.00 -1.15 0.00 0.00 33.47 29.55 3f3f s TRP 173 CO -0.16 -0.71 0.96 0.00 0.02 0.00 0.00 176.95 177.06 3f3f h PRO 175 N 8.13 0.48 -4.89 0.00 0.11 -1.86 -3.44 132.00 130.52 3f3f h PRO 175 Ca -0.22 -0.11 -0.66 0.00 0.11 0.00 0.00 66.00 65.12 3f3f h PRO 175 Cb 1.07 -0.07 0.03 0.00 0.11 0.00 0.00 31.00 32.15 3f3f h PRO 175 CO 0.98 0.53 0.16 0.45 -0.21 0.00 0.00 178.00 179.91 3f3f n SER 176 N -4.27 0.20 0.03 -2.05 2.88 -1.26 -4.89 113.62 104.26 3f3f n SER 176 Ca 0.01 0.95 -0.11 0.00 -1.33 0.00 0.00 58.87 58.40 3f3f n SER 176 Cb 0.26 -0.74 -0.13 0.00 -0.75 0.00 0.00 64.21 62.84 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 2.80 0.07 -0.91 -1.46 2.43 -1.97 -3.35 114.38 111.99 3f3f h ARG 177 Ca -0.40 -0.12 -0.62 0.00 -0.81 0.00 0.00 59.98 58.02 3f3f h ARG 177 Cb 1.16 0.05 -0.32 0.00 -0.42 0.00 0.00 29.97 30.43 3f3f h ARG 177 CO 0.59 0.85 0.37 1.19 -1.51 0.00 0.00 179.97 181.45 3f3f n PHE 178 N -3.27 3.04 -3.91 2.20 3.01 -1.26 -4.94 117.46 112.34 3f3f n PHE 178 Ca -0.11 -2.73 -0.11 0.00 1.01 0.00 0.00 57.45 55.51 3f3f n PHE 178 Cb 1.01 -1.10 -0.12 0.00 -0.01 0.00 0.00 39.48 39.26 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 0.07 0.27 4.37 0.15 -1.26 -5.13 113.70 109.85 3f3f s SER 179 Ca 0.60 -0.18 -0.30 0.00 0.70 0.00 0.00 55.95 56.77 3f3f s SER 179 Cb 0.48 0.11 -0.13 0.00 -1.71 0.00 0.00 66.02 64.77 3f3f s SER 179 CO 0.01 -0.17 1.44 -0.81 1.20 0.00 0.00 173.24 174.91 3f3f n PRO 180 N 2.28 2.24 -1.58 5.44 -0.04 -1.26 -4.85 135.00 137.23 3f3f n PRO 180 Ca -0.18 0.80 -0.56 0.00 -0.04 0.00 0.00 63.50 63.51 3f3f n PRO 180 Cb 0.57 -2.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.48 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 1.83 0.66 -3.51 0.54 2.13 -1.26 -4.89 120.64 116.14 3f3f n GLU 181 Ca 0.10 0.24 -0.09 0.00 0.66 0.00 0.00 57.16 58.06 3f3f n GLU 181 Cb 0.34 -1.83 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 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 0.83 0.81 0.01 5.31 -2.85 -1.26 -1.92 119.74 120.66 3f3f s LYS 182 Ca 0.90 -0.21 -0.15 0.00 -1.00 0.00 0.00 55.97 55.51 3f3f s LYS 182 Cb -1.12 0.37 0.02 0.00 -2.06 0.00 0.00 37.83 35.05 3f3f s LYS 182 CO 0.55 -0.34 0.32 -0.48 0.10 0.00 0.00 175.35 175.50 3f3f s LEU 183 N -2.22 0.82 0.04 2.77 0.05 -0.52 -1.36 118.68 118.25 3f3f s LEU 183 Ca 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 54.13 54.18 3f3f s LEU 183 Cb -0.01 1.34 -0.04 0.00 -2.05 0.00 0.00 46.19 45.43 3f3f s LEU 183 CO -0.07 -0.52 0.23 0.00 -0.55 0.00 0.00 176.35 175.44 3f3f s ALA 184 N -1.84 3.94 -0.05 1.48 0.00 0.17 -0.72 121.76 124.74 3f3f s ALA 184 Ca -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 3f3f s ALA 184 Cb -0.03 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.20 3f3f s ALA 184 CO 0.01 0.76 0.10 0.08 0.00 0.00 0.00 175.76 176.71 3f3f s VAL 185 N -1.45 -0.05 -0.06 0.00 1.01 0.19 -2.26 120.40 117.78 3f3f s VAL 185 Ca 0.32 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.51 3f3f s VAL 185 Cb -0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 3f3f s VAL 185 CO 0.23 0.07 -0.15 -0.94 0.00 0.00 0.00 175.10 174.31 3f3f s SER 186 N 0.99 3.95 -0.33 3.32 1.04 -0.29 0.10 113.70 122.47 3f3f s SER 186 Ca -0.08 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3f3f s SER 186 Cb -0.11 -0.96 0.14 0.00 0.10 0.00 0.00 66.02 65.19 3f3f s SER 186 CO -0.04 0.31 0.26 0.00 0.98 0.00 0.00 173.24 174.75 3f3f s ALA 187 N -0.52 0.24 0.00 5.32 0.00 -0.87 -1.57 121.76 124.36 3f3f s ALA 187 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3f3f s ALA 187 Cb -0.12 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3f3f s ALA 187 CO 0.01 -1.96 0.00 1.28 0.00 0.00 0.00 175.76 175.09 3f3f n LEU 188 N 4.54 0.00 0.01 0.00 4.77 -0.57 -2.85 117.00 122.90 3f3f n LEU 188 Ca 0.06 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3f3f n LEU 188 Cb 0.42 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3f3f n LEU 188 CO 0.08 0.00 -0.29 -0.33 -1.33 0.00 0.00 177.39 175.52 3f3f h GLU 189 N 0.00 0.00 -7.36 3.23 5.08 -1.92 0.05 114.58 113.66 3f3f h GLU 189 Ca 0.00 0.00 -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 0.58 0.41 -0.65 -1.00 0.00 0.00 179.01 178.35 3f3f s GLN 190 N -2.69 3.44 -0.23 2.33 -1.52 -1.13 -4.61 119.66 115.24 3f3f s GLN 190 Ca -0.03 0.79 -0.05 0.00 -1.95 0.00 0.00 55.36 54.12 3f3f s GLN 190 Cb 0.09 -2.06 0.12 0.00 -0.22 0.00 0.00 33.01 30.93 3f3f s GLN 190 CO 0.82 -0.70 0.43 0.00 -0.25 0.00 0.00 175.29 175.59 3f3f s ALA 191 N -3.16 -1.26 0.11 6.09 0.00 -1.26 -2.04 121.76 120.25 3f3f s ALA 191 Ca 0.56 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.90 3f3f s ALA 191 Cb -0.12 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 3f3f s ALA 191 CO 0.54 -1.02 -0.14 0.96 0.00 0.00 0.00 175.76 176.10 3f3f s ILE 192 N 2.62 1.33 -0.12 0.00 -4.36 0.11 -1.35 121.20 119.44 3f3f s ILE 192 Ca 0.06 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 58.77 3f3f s ILE 192 Cb -0.14 -1.48 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 3f3f s ILE 192 CO -0.15 -0.37 -0.04 -0.63 0.24 0.00 0.00 174.94 173.99 3f3f s ILE 193 N -1.97 3.92 0.05 8.37 1.01 -0.17 -0.64 121.20 131.78 3f3f s ILE 193 Ca 0.07 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.41 3f3f s ILE 193 Cb -0.06 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3f3f s ILE 193 CO 0.03 0.54 -0.09 -0.31 0.00 0.00 0.00 174.94 175.11 3f3f s TYR 194 N -0.20 2.78 0.01 3.97 1.51 0.10 -0.99 117.35 124.53 3f3f s TYR 194 Ca 0.04 -0.12 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3f3f s TYR 194 Cb -0.13 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3f3f s TYR 194 CO 0.02 0.38 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.65 3f3f s GLN 195 N -1.79 0.38 0.15 -0.62 0.74 -0.57 -1.44 119.66 116.51 3f3f s GLN 195 Ca 0.19 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.92 3f3f s GLN 195 Cb -0.11 -0.26 -0.07 0.00 1.10 0.00 0.00 33.01 33.66 3f3f s GLN 195 CO 0.10 0.06 1.20 0.50 -0.55 0.00 0.00 175.29 176.60 3f3f s ARG 196 N -0.69 4.48 0.72 1.67 6.06 -0.81 -1.86 118.95 128.52 3f3f s ARG 196 Ca -0.04 1.85 0.02 0.00 -2.50 0.00 0.00 55.73 55.06 3f3f s ARG 196 Cb -0.05 -3.27 0.14 0.00 0.06 0.00 0.00 34.95 31.83 3f3f s ARG 196 CO -0.00 -0.13 0.99 0.41 -2.50 0.00 0.00 175.30 174.06 3f3f n GLY 197 N 2.49 0.89 0.26 8.12 0.00 -0.17 -4.90 105.19 111.89 3f3f n GLY 197 Ca 0.06 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.21 1.61 1.57 -1.96 -2.33 116.57 115.25 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 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3f3f h LYS 198 CO 0.37 0.10 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 3f3f n ASP 199 N -3.32 0.97 -1.10 0.86 5.75 -1.26 -4.90 116.55 113.55 3f3f n ASP 199 Ca -0.00 -2.01 -0.14 0.00 -0.01 0.00 0.00 54.79 52.62 3f3f n ASP 199 Cb 0.30 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 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 0.73 1.47 3.46 6.12 0.00 -0.88 -5.00 105.19 111.10 3f3f n GLY 200 Ca 0.06 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.18 1.66 0.18 1.61 1.02 -1.26 -4.87 119.74 114.90 3f3f s LYS 201 Ca 0.00 -1.48 -0.26 0.00 0.02 0.00 0.00 55.97 54.25 3f3f s LYS 201 Cb 0.00 -1.91 -0.08 0.00 -0.52 0.00 0.00 37.83 35.31 3f3f s LYS 201 CO 0.00 0.40 0.80 -0.51 -0.92 0.00 0.00 175.35 175.13 3f3f s LEU 202 N -2.76 4.59 0.07 3.17 1.43 -1.26 -1.00 118.68 122.92 3f3f s LEU 202 Ca 0.22 1.69 0.03 0.00 -1.03 0.00 0.00 54.13 55.04 3f3f s LEU 202 Cb -0.08 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 3f3f s LEU 202 CO 0.11 0.19 -0.09 -1.00 0.23 0.00 0.00 176.35 175.79 3f3f s HIS 203 N -1.18 0.92 -0.27 0.29 3.76 -0.77 -4.95 115.29 113.08 3f3f s HIS 203 Ca 0.37 -0.59 -0.28 0.00 -0.15 0.00 0.00 55.06 54.41 3f3f s HIS 203 Cb -0.23 -0.52 0.01 0.00 1.11 0.00 0.00 32.58 32.95 3f3f s HIS 203 CO 0.27 -0.04 1.00 0.08 -0.85 0.00 0.00 174.74 175.20 3f3f s VAL 204 N -1.97 4.65 -1.38 -0.90 1.01 -1.26 -1.51 120.40 119.04 3f3f s VAL 204 Ca -0.01 1.78 0.22 0.00 0.00 0.00 0.00 61.98 63.97 3f3f s VAL 204 Cb -0.06 -4.31 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 3f3f s VAL 204 CO -0.00 -0.28 0.98 0.00 0.00 0.00 0.00 175.10 175.80 3f3f n ALA 205 N 6.47 4.30 0.00 5.51 0.00 -0.16 -4.95 120.51 131.68 3f3f n ALA 205 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3f3f n ALA 205 Cb 0.47 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.96 0.00 -2.87 0.00 0.00 -1.21 -4.54 120.51 110.92 3f3f n ALA 206 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3f3f n ALA 206 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.71 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 0.49 -0.92 0.00 1.02 -1.26 -1.00 119.74 116.08 3f3f s LYS 207 Ca 0.00 -0.70 -0.09 0.00 0.02 0.00 0.00 55.97 55.20 3f3f s LYS 207 Cb 0.00 -0.25 0.23 0.00 -0.52 0.00 0.00 37.83 37.30 3f3f s LYS 207 CO 0.00 0.04 0.85 -0.51 -0.92 0.00 0.00 175.35 174.82 3f3f s LEU 208 N -1.47 6.25 0.72 3.17 1.43 -0.46 -4.98 118.68 123.35 3f3f s LEU 208 Ca -0.10 -3.20 -0.14 0.00 -1.03 0.00 0.00 54.13 49.66 3f3f s LEU 208 Cb -0.09 -2.12 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3f3f s LEU 208 CO 0.00 -0.39 1.15 -2.16 0.23 0.00 0.00 176.35 175.19 3f3f s PRO 209 N -0.61 2.35 0.00 1.29 0.04 -1.26 -4.50 135.00 132.30 3f3f s PRO 209 Ca 0.24 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3f3f s PRO 209 Cb -0.11 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3f3f s PRO 209 CO -0.08 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.74 3f3f n GLY 210 N -0.13 2.12 3.68 0.56 0.00 -1.26 -5.09 105.19 105.07 3f3f n GLY 210 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 2.70 -0.40 1.61 3.76 -1.26 -4.91 115.29 114.83 3f3f s HIS 211 Ca 0.00 0.69 0.05 0.00 -0.15 0.00 0.00 55.06 55.65 3f3f s HIS 211 Cb 0.00 -3.73 0.51 0.00 1.11 0.00 0.00 32.58 30.47 3f3f s HIS 211 CO 0.00 -2.78 1.61 1.63 -0.85 0.00 0.00 174.74 174.35 3f3f n LYS 212 N 5.64 2.47 0.00 1.40 5.02 -1.26 -4.89 118.16 126.53 3f3f n LYS 212 Ca 0.14 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 3f3f n LYS 212 Cb 0.43 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.00 0.00 -4.72 4.39 2.88 -1.26 -4.82 113.62 109.09 3f3f n SER 213 Ca 0.46 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.59 3f3f n SER 213 Cb 1.03 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.45 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 -0.51 2.46 1.43 -1.26 -3.63 118.68 121.59 3f3f s LEU 214 Ca 0.00 1.63 -0.24 0.00 -1.03 0.00 0.00 54.13 54.49 3f3f s LEU 214 Cb 0.00 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 42.78 3f3f s LEU 214 CO 0.00 -0.13 0.90 -0.63 0.23 0.00 0.00 176.35 176.72 3f3f s ILE 215 N 0.44 4.47 0.12 -0.59 1.01 0.01 0.26 121.20 126.91 3f3f s ILE 215 Ca 0.47 0.37 0.10 0.00 0.00 0.00 0.00 60.65 61.59 3f3f s ILE 215 Cb -0.21 -4.47 -0.08 0.00 0.01 0.00 0.00 42.46 37.70 3f3f s ILE 215 CO 0.27 -0.98 1.44 0.03 0.00 0.00 0.00 174.94 175.70 3f3f h ARG 216 N 9.20 0.00 -2.44 2.79 2.47 -1.50 -3.43 114.38 121.47 3f3f h ARG 216 Ca -0.26 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.41 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 1.05 0.76 0.14 0.45 0.56 0.00 0.00 179.97 182.93 3f3f s SER 217 N -6.68 -0.57 -0.13 7.04 0.15 -1.06 -4.91 113.70 107.54 3f3f s SER 217 Ca 0.01 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 56.85 3f3f s SER 217 Cb 0.10 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 65.00 3f3f s SER 217 CO 0.78 -0.71 0.56 0.27 1.20 0.00 0.00 173.24 175.34 3f3f s ILE 218 N -2.03 0.01 -0.19 6.45 -4.36 -1.26 -0.42 121.20 119.40 3f3f s ILE 218 Ca -0.07 -0.09 -0.15 0.00 -0.26 0.00 0.00 60.65 60.08 3f3f s ILE 218 Cb -0.01 -0.83 0.05 0.00 1.25 0.00 0.00 42.46 42.93 3f3f s ILE 218 CO 0.02 -0.05 0.49 -0.94 0.24 0.00 0.00 174.94 174.71 3f3f s SER 219 N -0.46 -0.56 0.15 4.36 1.04 -0.46 -4.69 113.70 113.08 3f3f s SER 219 Ca -0.06 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.11 3f3f s SER 219 Cb -0.03 0.98 -0.07 0.00 0.10 0.00 0.00 66.02 67.00 3f3f s SER 219 CO 0.04 -0.19 0.91 0.86 0.98 0.00 0.00 173.24 175.85 3f3f s TRP 220 N 0.74 3.88 0.15 5.02 -0.11 -1.26 -1.56 118.94 125.79 3f3f s TRP 220 Ca -0.04 1.78 -0.08 0.00 1.22 0.00 0.00 56.10 58.99 3f3f s TRP 220 Cb -0.05 -2.97 -0.06 0.00 -1.50 0.00 0.00 33.47 28.89 3f3f s TRP 220 CO -0.05 0.34 0.43 0.00 -4.62 0.00 0.00 176.95 173.05 3f3f s ALA 221 N -0.55 3.71 0.04 5.86 0.00 0.49 -4.79 121.76 126.53 3f3f s ALA 221 Ca 0.43 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3f3f s ALA 221 Cb -0.24 -2.26 -0.08 0.00 0.00 0.00 0.00 23.12 20.55 3f3f s ALA 221 CO 0.29 0.59 1.68 -2.14 0.00 0.00 0.00 175.76 176.19 3f3f s PRO 222 N -2.47 4.19 -0.71 0.00 0.02 -1.26 -4.59 135.00 130.17 3f3f s PRO 222 Ca 0.40 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 63.73 3f3f s PRO 222 Cb -0.12 -3.72 0.31 0.00 0.02 0.00 0.00 34.50 30.99 3f3f s PRO 222 CO 0.22 -0.78 2.17 -1.13 -0.33 0.00 0.00 177.00 177.15 3f3f n SER 223 N 6.05 7.32 -4.68 2.53 3.41 -1.26 -4.11 113.62 122.88 3f3f n SER 223 Ca 0.16 -3.67 -0.42 0.00 -0.26 0.00 0.00 58.87 54.69 3f3f n SER 223 Cb 0.41 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 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 -4.34 3.25 0.00 -1.33 1.01 -1.26 -2.80 121.20 115.73 3f3f s ILE 224 Ca 0.55 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.76 3f3f s ILE 224 Cb 0.43 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 39.54 3f3f s ILE 224 CO -0.28 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.25 3f3f n GLY 225 N 4.05 2.36 3.88 6.18 0.00 -1.26 -5.01 105.19 115.39 3f3f n GLY 225 Ca 0.16 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 3.22 -0.15 1.61 0.52 -1.12 -4.99 118.95 118.04 3f3f s ARG 226 Ca 0.00 0.57 0.16 0.00 -0.52 0.00 0.00 55.73 55.94 3f3f s ARG 226 Cb 0.00 -2.07 -0.24 0.00 0.52 0.00 0.00 34.95 33.16 3f3f s ARG 226 CO 0.00 -0.78 0.25 -2.67 0.02 0.00 0.00 175.30 172.12 3f3f n TRP 227 N -2.85 0.32 -2.47 -0.53 2.14 -1.26 -4.95 117.44 107.84 3f3f n TRP 227 Ca 0.06 0.11 -0.24 0.00 2.07 0.00 0.00 57.50 59.51 3f3f n TRP 227 Cb 0.56 -1.06 0.10 0.00 -0.81 0.00 0.00 31.31 30.09 3f3f n TRP 227 CO 0.00 0.00 0.00 1.52 2.07 0.00 0.00 177.69 181.28 3f3f s TYR 228 N -2.52 2.05 0.18 -2.67 1.13 -1.26 -4.89 117.35 109.36 3f3f s TYR 228 Ca -0.09 -0.05 0.11 0.00 -1.41 0.00 0.00 57.07 55.63 3f3f s TYR 228 Cb 0.07 -3.09 -0.04 0.00 -1.10 0.00 0.00 41.96 37.79 3f3f s TYR 228 CO 0.82 -1.59 -0.22 -0.65 -2.51 0.00 0.00 175.55 171.41 3f3f s GLN 229 N -5.16 1.61 -0.06 -3.49 -1.52 -0.27 -4.85 119.66 105.92 3f3f s GLN 229 Ca 0.64 -1.45 -0.00 0.00 -1.95 0.00 0.00 55.36 52.60 3f3f s GLN 229 Cb -0.07 -1.92 0.02 0.00 -0.22 0.00 0.00 33.01 30.83 3f3f s GLN 229 CO 0.44 0.41 -0.03 -0.51 -0.25 0.00 0.00 175.29 175.36 3f3f s LEU 230 N -2.62 0.99 -0.04 2.90 1.43 -1.26 -0.46 118.68 119.62 3f3f s LEU 230 Ca 0.21 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3f3f s LEU 230 Cb -0.08 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 3f3f s LEU 230 CO 0.10 -0.12 -0.16 0.27 0.23 0.00 0.00 176.35 176.68 3f3f s ILE 231 N 1.45 1.31 0.14 -0.59 -4.36 -0.89 -0.37 121.20 117.88 3f3f s ILE 231 Ca -0.03 -0.65 0.07 0.00 -0.26 0.00 0.00 60.65 59.78 3f3f s ILE 231 Cb -0.13 -1.13 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 3f3f s ILE 231 CO -0.03 0.38 -0.02 0.00 0.24 0.00 0.00 174.94 175.51 3f3f s ALA 232 N 0.09 3.19 -0.01 2.27 0.00 -0.60 -1.55 121.76 125.14 3f3f s ALA 232 Ca -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.65 3f3f s ALA 232 Cb -0.11 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 21.98 3f3f s ALA 232 CO 0.02 0.57 -0.01 0.95 0.00 0.00 0.00 175.76 177.29 3f3f s THR 233 N -1.52 0.14 -0.42 0.00 -4.23 -0.29 -1.35 115.64 107.96 3f3f s THR 233 Ca 0.26 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 3f3f s THR 233 Cb -0.10 -0.16 0.08 0.00 1.34 0.00 0.00 72.50 73.66 3f3f s THR 233 CO 0.18 0.07 0.27 -0.83 -0.54 0.00 0.00 174.62 173.76 3f3f s GLY 234 N 0.24 1.97 0.55 3.99 0.00 0.44 -1.33 107.32 113.18 3f3f s GLY 234 Ca -0.02 -2.14 -0.02 0.00 0.00 0.00 0.00 44.72 42.54 3f3f s GLY 234 CO -0.01 0.97 0.80 0.00 0.00 0.00 0.00 173.10 174.87 3f3f h LYS 236 N 0.03 0.00 0.00 0.00 3.64 -0.47 -1.71 116.57 118.07 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 0.22 0.00 -0.40 -2.27 0.00 0.00 179.45 177.57 3f3f n ASP 237 N -3.20 0.00 -0.05 4.20 5.68 -1.26 -3.94 116.55 117.98 3f3f n ASP 237 Ca 0.02 -1.04 -0.01 0.00 -0.50 0.00 0.00 54.79 53.26 3f3f n ASP 237 Cb 0.56 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 0.10 0.41 3.14 6.12 0.00 -1.12 -4.84 105.19 109.00 3f3f n GLY 238 Ca 0.03 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.48 1.68 0.03 1.61 0.52 -1.25 -4.18 118.95 114.88 3f3f s ARG 239 Ca 0.00 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 3f3f s ARG 239 Cb 0.00 -1.50 -0.06 0.00 0.52 0.00 0.00 34.95 33.91 3f3f s ARG 239 CO 0.00 0.28 0.51 0.42 0.02 0.00 0.00 175.30 176.53 3f3f s ILE 240 N -0.09 4.87 0.01 1.52 1.01 0.08 -1.97 121.20 126.63 3f3f s ILE 240 Ca -0.01 1.07 0.03 0.00 0.00 0.00 0.00 60.65 61.75 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 0.01 0.55 -0.10 -0.13 0.00 0.00 0.00 174.94 175.27 3f3f s ARG 241 N -0.96 0.74 -0.12 2.79 0.52 -0.44 -1.45 118.95 120.03 3f3f s ARG 241 Ca 0.27 -0.48 -0.00 0.00 -0.52 0.00 0.00 55.73 55.00 3f3f s ARG 241 Cb -0.18 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.62 3f3f s ARG 241 CO 0.16 0.18 -0.09 0.42 0.02 0.00 0.00 175.30 176.00 3f3f s ILE 242 N -0.51 1.14 -0.13 1.52 1.01 -0.84 -1.14 121.20 122.25 3f3f s ILE 242 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3f3f s ILE 242 Cb -0.05 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 3f3f s ILE 242 CO 0.00 0.39 -0.02 -0.36 0.00 0.00 0.00 174.94 174.95 3f3f s PHE 243 N 1.66 3.08 -0.25 3.97 0.40 -0.60 0.08 117.98 126.32 3f3f s PHE 243 Ca 0.05 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.18 3f3f s PHE 243 Cb -0.13 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3f3f s PHE 243 CO -0.09 0.17 0.24 0.21 0.70 0.00 0.00 175.22 176.46 3f3f s LYS 244 N -0.13 4.05 -0.20 0.44 2.20 -0.12 -2.10 119.74 123.88 3f3f s LYS 244 Ca 0.04 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.48 3f3f s LYS 244 Cb -0.13 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.62 3f3f s LYS 244 CO 0.02 -0.06 -0.13 0.42 -0.36 0.00 0.00 175.35 175.24 3f3f s ILE 245 N 1.42 2.56 0.05 5.43 1.01 0.39 -0.82 121.20 131.23 3f3f s ILE 245 Ca 0.10 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.00 3f3f s ILE 245 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3f3f s ILE 245 CO 0.07 0.45 -0.20 -0.89 0.00 0.00 0.00 174.94 174.38 3f3f s THR 246 N 1.35 2.67 -0.23 2.92 2.01 -1.03 -1.12 115.64 122.21 3f3f s THR 246 Ca 0.04 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.82 3f3f s THR 246 Cb -0.14 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.30 3f3f s THR 246 CO -0.09 0.33 -0.14 -1.83 -0.69 0.00 0.00 174.62 172.21 3f3f s GLU 247 N -1.44 2.52 -0.00 4.92 -1.05 -1.26 0.17 118.70 122.56 3f3f s GLU 247 Ca 0.14 -1.16 0.02 0.00 -0.15 0.00 0.00 54.97 53.82 3f3f s GLU 247 Cb -0.10 -2.79 -0.03 0.00 -0.44 0.00 0.00 34.13 30.76 3f3f s GLU 247 CO 0.05 -0.44 0.05 1.17 0.95 0.00 0.00 175.26 177.03 3f3f n LYS 248 N 4.51 1.21 -0.03 -4.83 4.81 -1.26 -5.00 118.16 117.56 3f3f n LYS 248 Ca -0.16 -0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.31 3f3f n LYS 248 Cb 0.45 -0.96 -0.15 0.00 0.02 0.00 0.00 35.03 34.39 3f3f n LYS 248 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3f3f n ASN 291 N -1.47 0.58 -4.77 3.14 3.02 -1.26 -5.07 115.26 109.42 3f3f n ASN 291 Ca -0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3f3f n ASN 291 Cb 0.05 1.61 -0.06 0.00 -0.61 0.00 0.00 39.78 40.76 3f3f n ASN 291 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3f3f s LEU 292 N -4.63 4.34 0.19 3.41 1.43 -1.26 -4.98 118.68 117.19 3f3f s LEU 292 Ca -0.08 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.77 3f3f s LEU 292 Cb 0.10 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3f3f s LEU 292 CO 0.78 0.18 0.34 -1.10 0.23 0.00 0.00 176.35 176.78 3f3f s GLN 293 N -0.13 3.45 -0.13 1.70 -0.21 0.45 -4.95 119.66 119.85 3f3f s GLN 293 Ca 0.21 -0.59 -0.04 0.00 0.02 0.00 0.00 55.36 54.96 3f3f s GLN 293 Cb -0.15 -2.91 0.06 0.00 1.00 0.00 0.00 33.01 31.01 3f3f s GLN 293 CO 0.08 0.46 0.12 0.08 -2.12 0.00 0.00 175.29 173.90 3f3f s VAL 294 N -1.86 -0.16 0.12 1.09 1.01 -1.26 -2.45 120.40 116.89 3f3f s VAL 294 Ca 0.35 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.46 3f3f s VAL 294 Cb -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 3f3f s VAL 294 CO 0.29 -0.09 0.01 -1.61 0.00 0.00 0.00 175.10 173.70 3f3f s GLU 295 N 2.20 2.53 -0.22 2.72 2.02 -0.00 -4.98 118.70 122.97 3f3f s GLU 295 Ca 0.04 -0.92 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 3f3f s GLU 295 Cb -0.14 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 3f3f s GLU 295 CO -0.08 0.51 0.05 -1.17 0.02 0.00 0.00 175.26 174.59 3f3f s LEU 296 N -2.57 3.51 -0.20 1.80 2.96 -1.26 -0.94 118.68 121.97 3f3f s LEU 296 Ca 0.27 -0.12 -0.19 0.00 -0.22 0.00 0.00 54.13 53.86 3f3f s LEU 296 Cb -0.11 -1.91 -0.16 0.00 0.50 0.00 0.00 46.19 44.51 3f3f s LEU 296 CO 0.19 0.05 0.11 0.18 -1.32 0.00 0.00 176.35 175.56 3f3f n LEU 297 N 4.36 1.86 -4.08 -0.68 4.77 0.11 -4.90 117.00 118.44 3f3f n LEU 297 Ca -0.16 0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3f3f n LEU 297 Cb 0.52 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.57 3f3f n LEU 297 CO 0.32 0.18 -0.31 -0.44 -1.33 0.00 0.00 177.39 175.81 3f3f s SER 298 N -6.72 0.39 -0.00 -1.43 0.01 -1.17 -4.84 113.70 99.94 3f3f s SER 298 Ca -0.27 -1.02 -0.00 0.00 1.31 0.00 0.00 55.95 55.97 3f3f s SER 298 Cb 0.06 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.54 3f3f s SER 298 CO 0.53 -0.66 0.01 -1.61 0.41 0.00 0.00 173.24 171.92 3f3f s GLU 299 N -3.95 -0.00 -0.12 12.44 2.02 -1.26 -1.98 118.70 125.85 3f3f s GLU 299 Ca 0.12 0.03 -0.06 0.00 0.02 0.00 0.00 54.97 55.08 3f3f s GLU 299 Cb 0.07 -0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.32 3f3f s GLU 299 CO -0.07 -0.02 0.27 -1.01 0.02 0.00 0.00 175.26 174.45 3f3f s HIS 300 N 0.15 -0.38 -1.29 1.61 3.76 -0.52 -4.93 115.29 113.69 3f3f s HIS 300 Ca -0.01 0.89 0.12 0.00 -0.15 0.00 0.00 55.06 55.90 3f3f s HIS 300 Cb -0.02 0.05 0.22 0.00 1.11 0.00 0.00 32.58 33.94 3f3f s HIS 300 CO -0.00 -0.27 1.09 -0.40 -0.85 0.00 0.00 174.74 174.30 3f3f n ASP 301 N 4.51 2.53 0.02 1.40 5.75 -1.26 -0.74 116.55 128.75 3f3f n ASP 301 Ca -0.21 -1.76 0.15 0.00 -0.01 0.00 0.00 54.79 52.97 3f3f n ASP 301 Cb 0.52 -0.13 0.23 0.00 -1.03 0.00 0.00 41.12 40.71 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 0.66 0.00 0.15 -1.12 9.92 -1.26 0.91 116.55 125.81 3f3f n ASP 302 Ca 0.10 0.61 0.04 0.00 -0.53 0.00 0.00 54.79 55.00 3f3f n ASP 302 Cb 0.38 -0.14 0.04 0.00 -0.64 0.00 0.00 41.12 40.76 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 -6.44 1.24 3.86 -1.83 -3.49 115.15 108.49 3f3f h HIS 303 Ca 0.26 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 59.10 3f3f h HIS 303 Cb 2.38 0.00 0.01 0.00 1.06 0.00 0.00 27.41 30.85 3f3f h HIS 303 CO 0.00 0.43 -0.97 0.09 0.86 0.00 0.00 177.93 178.34 3f3f n ASN 304 N -3.20 -5.57 0.00 2.45 3.02 0.26 -4.01 115.26 108.21 3f3f n ASN 304 Ca 0.02 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3f3f n ASN 304 Cb 0.71 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.56 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 -1.16 0.09 3.77 7.41 0.00 -1.26 -4.60 105.19 109.44 3f3f n GLY 305 Ca -0.19 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.32 4.40 -0.42 1.61 2.02 -1.25 -3.27 118.70 120.46 3f3f s GLU 306 Ca 0.00 2.02 -0.17 0.00 0.02 0.00 0.00 54.97 56.84 3f3f s GLU 306 Cb 0.00 -3.05 0.02 0.00 0.10 0.00 0.00 34.13 31.20 3f3f s GLU 306 CO 0.00 -0.08 0.45 0.08 0.02 0.00 0.00 175.26 175.73 3f3f s VAL 307 N -1.19 5.08 -0.08 2.63 1.01 -0.66 -2.00 120.40 125.19 3f3f s VAL 307 Ca 0.49 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 3f3f s VAL 307 Cb -0.36 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 31.68 3f3f s VAL 307 CO 0.47 -0.43 0.74 -0.50 0.00 0.00 0.00 175.10 175.37 3f3f h TRP 308 N 8.74 0.47 -4.18 5.22 4.06 -1.02 -3.36 115.95 125.87 3f3f h TRP 308 Ca -0.26 -0.34 -0.68 0.00 2.06 0.00 0.00 58.89 59.66 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 0.62 1.40 -0.88 0.45 -3.56 0.00 0.00 178.44 176.47 3f3f s SER 309 N -6.97 2.96 -0.07 -3.49 0.15 -1.13 -4.09 113.70 101.06 3f3f s SER 309 Ca -0.17 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.00 3f3f s SER 309 Cb 0.02 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.70 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 -0.28 0.60 0.07 4.45 1.01 -1.26 -1.24 120.40 123.75 3f3f s VAL 310 Ca 0.01 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3f3f s VAL 310 Cb -0.12 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3f3f s VAL 310 CO 0.02 0.28 -0.06 -0.55 0.00 0.00 0.00 175.10 174.79 3f3f s SER 311 N 1.55 0.90 0.34 3.32 0.15 -0.35 -4.62 113.70 115.00 3f3f s SER 311 Ca -0.00 -0.88 0.09 0.00 0.70 0.00 0.00 55.95 55.86 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 -0.04 -0.43 -0.06 0.26 1.20 0.00 0.00 173.24 174.17 3f3f s TRP 312 N -3.10 2.45 1.28 3.44 0.52 -1.26 0.22 118.94 122.49 3f3f s TRP 312 Ca 0.05 -0.49 -0.21 0.00 0.02 0.00 0.00 56.10 55.47 3f3f s TRP 312 Cb 0.02 -1.42 0.32 0.00 -1.15 0.00 0.00 33.47 31.23 3f3f s TRP 312 CO -0.05 0.55 1.09 1.21 0.02 0.00 0.00 176.95 179.77 3f3f s ASN 313 N -3.64 0.28 0.21 2.95 3.04 -0.10 -4.92 114.94 112.76 3f3f s ASN 313 Ca 0.33 0.55 0.20 0.00 0.04 0.00 0.00 52.86 53.99 3f3f s ASN 313 Cb 0.02 -0.72 0.03 0.00 -1.54 0.00 0.00 41.25 39.04 3f3f s ASN 313 CO 0.17 -4.51 1.12 0.17 -3.04 0.00 0.00 177.10 171.02 3f3f h LEU 314 N -2.84 0.00 -1.27 3.21 8.10 -1.99 -3.26 115.31 117.25 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 0.28 0.20 -0.24 0.35 -4.11 0.00 0.00 178.44 174.92 3f3f n THR 315 N -2.86 0.00 -2.43 0.15 -2.24 -1.26 -4.84 114.28 100.81 3f3f n THR 315 Ca -0.02 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.25 3f3f n THR 315 Cb 0.64 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 70.17 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 1.21 -0.15 0.08 3.38 0.00 -1.23 -4.42 105.19 104.05 3f3f n GLY 316 Ca 0.09 -0.28 -0.03 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 -4.03 1.06 -4.72 2.61 -1.04 -1.26 -4.85 114.28 102.04 3f3f n THR 317 Ca -0.13 -0.73 -0.23 0.00 -2.04 0.00 0.00 64.05 60.91 3f3f n THR 317 Cb 0.61 -0.48 -0.15 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.83 1.26 -0.05 12.58 1.01 -1.26 -4.47 121.20 127.44 3f3f s ILE 318 Ca -0.07 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 59.92 3f3f s ILE 318 Cb 0.09 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.49 3f3f s ILE 318 CO 0.84 0.33 -0.24 -0.22 0.00 0.00 0.00 174.94 175.66 3f3f s LEU 319 N -0.44 2.04 0.12 2.97 2.96 -0.37 -0.93 118.68 125.04 3f3f s LEU 319 Ca 0.06 -0.47 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3f3f s LEU 319 Cb -0.06 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 3f3f s LEU 319 CO -0.00 0.24 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.18 3f3f s SER 320 N -0.20 4.12 -0.06 3.68 1.04 0.13 -0.10 113.70 122.32 3f3f s SER 320 Ca -0.01 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 55.86 3f3f s SER 320 Cb -0.13 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.34 3f3f s SER 320 CO 0.03 0.17 0.16 -0.94 0.98 0.00 0.00 173.24 173.64 3f3f s SER 321 N -2.26 -0.15 0.04 7.02 1.04 -0.51 -1.21 113.70 117.66 3f3f s SER 321 Ca 0.20 0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.93 3f3f s SER 321 Cb -0.11 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 3f3f s SER 321 CO 0.12 -0.09 -0.07 0.00 0.98 0.00 0.00 173.24 174.18 3f3f s ALA 322 N -0.06 0.50 0.00 5.32 0.00 -0.37 -0.18 121.76 126.96 3f3f s ALA 322 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.23 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 0.00 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3f3f n GLY 323 N 1.56 2.77 0.25 0.00 0.00 -1.17 -0.41 105.19 108.19 3f3f n GLY 323 Ca -0.22 -0.82 0.03 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 0.11 0.00 1.61 3.32 -1.69 -1.28 116.42 118.49 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 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3f3f h ASP 324 CO 0.00 0.05 0.01 -0.90 -1.72 0.00 0.00 179.24 176.68 3f3f n ASP 325 N -5.08 0.00 -2.07 6.45 5.68 -1.26 -4.74 116.55 115.54 3f3f n ASP 325 Ca 0.11 0.05 -0.17 0.00 -0.50 0.00 0.00 54.79 54.29 3f3f n ASP 325 Cb 0.36 -0.05 0.01 0.00 -1.14 0.00 0.00 41.12 40.30 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 -0.96 -0.28 3.16 6.12 0.00 -0.48 -5.01 105.19 107.73 3f3f n GLY 326 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.06 0.81 -0.12 1.61 1.02 -1.26 -4.67 119.74 112.07 3f3f s LYS 327 Ca 0.09 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 3f3f s LYS 327 Cb -0.04 -0.80 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 3f3f s LYS 327 CO 0.12 0.18 -0.09 0.08 -0.92 0.00 0.00 175.35 174.72 3f3f s VAL 328 N -1.20 3.43 -0.04 3.17 1.01 0.14 -3.01 120.40 123.89 3f3f s VAL 328 Ca -0.02 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3f3f s VAL 328 Cb -0.10 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3f3f s VAL 328 CO 0.02 0.53 -0.25 -0.13 0.00 0.00 0.00 175.10 175.27 3f3f s ARG 329 N 0.10 2.34 -0.13 2.72 0.52 0.75 0.03 118.95 125.27 3f3f s ARG 329 Ca -0.04 -0.91 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 3f3f s ARG 329 Cb -0.14 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 3f3f s ARG 329 CO 0.04 0.46 -0.01 -0.51 0.02 0.00 0.00 175.30 175.29 3f3f s LEU 330 N -0.35 3.44 -0.04 2.53 1.43 -0.64 -1.43 118.68 123.62 3f3f s LEU 330 Ca 0.02 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3f3f s LEU 330 Cb -0.12 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3f3f s LEU 330 CO 0.02 0.24 -0.21 0.26 0.23 0.00 0.00 176.35 176.89 3f3f s TRP 331 N -0.08 2.03 0.26 0.29 0.52 0.86 -0.46 118.94 122.36 3f3f s TRP 331 Ca 0.03 -0.54 0.12 0.00 0.02 0.00 0.00 56.10 55.73 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 0.06 4.98 -0.14 -0.60 -1.23 119.74 124.32 3f3f s LYS 332 Ca -0.00 -1.68 -0.14 0.00 -1.36 0.00 0.00 55.97 52.79 3f3f s LYS 332 Cb -0.11 -1.83 -0.06 0.00 -1.68 0.00 0.00 37.83 34.15 3f3f s LYS 332 CO 0.02 0.35 0.45 0.00 -0.76 0.00 0.00 175.35 175.41 3f3f s ALA 333 N -2.31 3.67 1.07 5.17 0.00 -1.26 -0.82 121.76 127.28 3f3f s ALA 333 Ca 0.28 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.84 3f3f s ALA 333 Cb -0.06 -2.40 0.24 0.00 0.00 0.00 0.00 23.12 20.90 3f3f s ALA 333 CO 0.14 0.49 1.24 0.99 0.00 0.00 0.00 175.76 178.63 3f3f s THR 334 N -1.26 1.83 0.15 0.00 2.01 0.41 -4.88 115.64 113.89 3f3f s THR 334 Ca 0.30 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.52 3f3f s THR 334 Cb -0.16 -2.79 0.21 0.00 0.01 0.00 0.00 72.50 69.77 3f3f s THR 334 CO 0.16 0.00 1.80 0.22 -0.69 0.00 0.00 174.62 176.12 3f3f h TYR 335 N -2.05 0.00 -0.01 4.92 3.20 -1.98 -2.24 116.97 118.81 3f3f h TYR 335 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3f3f h TYR 335 Cb 1.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3f3f h TYR 335 CO -1.62 0.26 -0.18 -1.13 -1.64 0.00 0.00 178.16 173.85 3f3f n SER 336 N -3.44 0.69 0.00 -2.11 3.41 -1.26 -4.92 113.62 105.99 3f3f n SER 336 Ca -0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3f3f n SER 336 Cb 0.45 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.86 -2.40 -4.60 4.04 2.85 -0.84 -5.06 115.26 108.39 3f3f n ASN 337 Ca 0.13 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.34 3f3f n ASN 337 Cb 0.31 -0.40 0.12 0.00 1.24 0.00 0.00 39.78 41.05 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 -1.07 1.55 -0.05 1.20 2.56 -1.26 -4.75 118.70 116.88 3f3f s GLU 338 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 54.97 54.41 3f3f s GLU 338 Cb 0.00 -2.13 -0.01 0.00 2.00 0.00 0.00 34.13 33.99 3f3f s GLU 338 CO 0.00 -1.66 -0.23 -0.06 -0.56 0.00 0.00 175.26 172.75 3f3f s PHE 339 N -3.40 2.24 -0.01 5.30 0.40 -1.26 -0.45 117.98 120.81 3f3f s PHE 339 Ca 0.66 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 3f3f s PHE 339 Cb -0.07 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 3f3f s PHE 339 CO 0.47 -0.21 -0.23 0.21 0.70 0.00 0.00 175.22 176.16 3f3f s LYS 340 N -0.10 1.81 -0.51 0.44 2.20 -0.00 -4.94 119.74 118.64 3f3f s LYS 340 Ca -0.04 -0.86 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 3f3f s LYS 340 Cb -0.13 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 3f3f s LYS 340 CO 0.03 0.49 1.45 0.00 -0.36 0.00 0.00 175.35 176.96 3f3f n MET 342 N 8.50 0.87 0.00 0.00 0.00 0.40 -4.94 117.12 121.94 3f3f n MET 342 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 57.70 57.50 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 -0.77 0.00 -3.84 3.17 3.41 -1.20 -4.98 113.62 109.42 3f3f n SER 343 Ca 0.16 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.48 3f3f n SER 343 Cb 0.28 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.05 0.21 -3.33 1.01 -1.26 -1.62 120.40 114.45 3f3f s VAL 344 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3f3f s VAL 344 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 3f3f s VAL 344 CO 0.00 -0.19 0.46 -0.63 0.00 0.00 0.00 175.10 174.74 3f3f s ILE 345 N 1.61 5.09 0.00 2.22 1.01 0.10 -4.93 121.20 126.30 3f3f s ILE 345 Ca -0.03 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3f3f s ILE 345 Cb -0.18 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3f3f s ILE 345 CO -0.08 -0.12 0.00 1.07 0.00 0.00 0.00 174.94 175.81