#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3g s GLN 2 N 0.00 2.96 0.00 0.03 -0.21 -1.26 -5.12 119.66 116.05 3f3g s GLN 2 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 55.36 54.92 3f3g s GLN 2 Cb 0.00 -2.78 0.00 0.00 1.00 0.00 0.00 33.01 31.23 3f3g s GLN 2 CO 0.00 0.68 0.00 -2.30 -2.12 0.00 0.00 175.29 171.55 3f3g n PRO 3 N 1.82 -0.74 -3.61 2.91 -0.02 -1.26 -5.03 135.00 129.07 3f3g n PRO 3 Ca -0.17 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.22 3f3g n PRO 3 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.95 3f3g n PRO 3 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3f3g s PHE 4 N -0.88 -0.37 0.04 6.00 -0.12 -1.26 -5.07 117.98 116.31 3f3g s PHE 4 Ca 0.00 0.77 -0.31 0.00 -0.05 0.00 0.00 56.93 57.34 3f3g s PHE 4 Cb 0.00 0.42 -0.10 0.00 -0.63 0.00 0.00 43.02 42.71 3f3g s PHE 4 CO 0.00 -0.26 1.92 -3.47 -0.05 0.00 0.00 175.22 173.36 3f3g n ASP 5 N 1.35 3.99 0.19 1.98 -0.08 -1.26 -4.83 116.55 117.89 3f3g n ASP 5 Ca -0.11 0.94 0.03 0.00 -1.51 0.00 0.00 54.79 54.15 3f3g n ASP 5 Cb 0.57 -1.50 0.41 0.00 2.34 0.00 0.00 41.12 42.94 3f3g n ASP 5 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3f3g h SER 6 N 9.76 0.03 0.00 1.67 4.64 -2.04 -3.46 113.55 124.16 3f3g h SER 6 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3f3g h SER 6 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3f3g h SER 6 CO 0.94 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.83 3f3g n GLY 7 N -0.69 0.83 3.74 -0.77 0.00 -1.26 -5.02 105.19 102.02 3f3g n GLY 7 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3f3g n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f3g s HIS 8 N -3.16 3.62 -0.29 1.61 3.76 -1.26 -4.95 115.29 114.63 3f3g s HIS 8 Ca 0.00 1.64 0.19 0.00 -0.15 0.00 0.00 55.06 56.74 3f3g s HIS 8 Cb 0.00 -3.25 0.19 0.00 1.11 0.00 0.00 32.58 30.62 3f3g s HIS 8 CO 0.00 -0.51 1.51 -0.44 -0.85 0.00 0.00 174.74 174.45 3f3g h ASP 9 N 4.81 0.00 -4.28 1.40 3.32 -1.96 -3.46 116.42 116.25 3f3g h ASP 9 Ca -0.45 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.20 3f3g h ASP 9 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 3f3g h ASP 9 CO 0.71 0.27 -0.76 -0.62 -1.72 0.00 0.00 179.24 177.12 3f3g s ASP 10 N -6.34 1.79 0.05 6.45 -1.08 -1.26 -4.96 116.67 111.32 3f3g s ASP 10 Ca 0.05 -0.73 -0.30 0.00 -0.52 0.00 0.00 52.55 51.06 3f3g s ASP 10 Cb 0.06 -0.05 -0.16 0.00 -1.46 0.00 0.00 42.92 41.32 3f3g s ASP 10 CO 0.71 -0.13 0.74 0.00 0.52 0.00 0.00 175.17 177.01 3f3g n LEU 11 N 0.86 -0.32 -4.77 -1.34 -0.00 -1.26 -4.02 117.00 106.14 3f3g n LEU 11 Ca -0.18 0.94 -0.39 0.00 -0.00 0.00 0.00 56.01 56.38 3f3g n LEU 11 Cb 0.56 -0.76 -0.06 0.00 -0.00 0.00 0.00 43.42 43.16 3f3g n LEU 11 CO 0.25 -1.84 0.52 -0.69 -0.00 0.00 0.00 177.39 175.63 3f3g s VAL 12 N -0.25 4.31 -0.05 1.47 1.01 -1.26 -1.24 120.40 124.39 3f3g s VAL 12 Ca 0.68 1.77 -0.05 0.00 0.00 0.00 0.00 61.98 64.37 3f3g s VAL 12 Cb -0.96 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.25 3f3g s VAL 12 CO 0.46 0.49 -0.11 1.41 0.00 0.00 0.00 175.10 177.36 3f3g n HIS 13 N 1.48 0.00 -4.40 5.22 8.25 0.15 -4.94 115.22 120.98 3f3g n HIS 13 Ca -0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.14 3f3g n HIS 13 Cb 0.48 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 31.32 3f3g n HIS 13 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3f3g s ASP 14 N -4.90 3.42 -0.07 0.41 2.15 -1.17 -5.03 116.67 111.49 3f3g s ASP 14 Ca -0.09 -0.79 -0.03 0.00 0.43 0.00 0.00 52.55 52.08 3f3g s ASP 14 Cb 0.01 -0.27 0.04 0.00 -0.30 0.00 0.00 42.92 42.40 3f3g s ASP 14 CO 0.13 0.15 0.06 -0.69 -0.17 0.00 0.00 175.17 174.66 3f3g s VAL 15 N -1.34 -0.08 -0.05 1.11 1.01 -1.26 -2.90 120.40 116.89 3f3g s VAL 15 Ca 0.17 0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.48 3f3g s VAL 15 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3f3g s VAL 15 CO 0.08 0.07 -0.21 -0.69 0.00 0.00 0.00 175.10 174.35 3f3g s VAL 16 N 2.15 1.77 0.19 2.92 1.01 -1.03 -4.89 120.40 122.52 3f3g s VAL 16 Ca 0.04 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 3f3g s VAL 16 Cb -0.13 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 3f3g s VAL 16 CO -0.05 0.50 0.78 -0.31 0.00 0.00 0.00 175.10 176.02 3f3g s TYR 17 N -0.11 3.84 0.00 5.22 1.51 -1.26 0.03 117.35 126.57 3f3g s TYR 17 Ca -0.03 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 3f3g s TYR 17 Cb -0.12 -2.74 0.00 0.00 -0.11 0.00 0.00 41.96 38.98 3f3g s TYR 17 CO 0.03 0.46 0.00 -0.40 -1.11 0.00 0.00 175.55 174.52 3f3g n ASP 18 N 1.33 -0.64 0.51 2.29 5.75 -0.74 -4.76 116.55 120.29 3f3g n ASP 18 Ca -0.04 -0.52 -0.21 0.00 -0.01 0.00 0.00 54.79 54.01 3f3g n ASP 18 Cb 0.49 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 3f3g n ASP 18 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3f3g h PHE 19 N -1.23 -1.21 0.00 2.11 3.57 -1.92 -2.98 116.94 115.28 3f3g h PHE 19 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3f3g h PHE 19 Cb 0.00 0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3f3g h PHE 19 CO 0.00 -0.75 0.00 0.66 -2.23 0.00 0.00 178.31 175.99 3f3g n TYR 20 N -5.65 0.00 -2.73 0.41 4.02 -1.26 -4.85 117.16 107.09 3f3g n TYR 20 Ca -0.16 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.90 57.56 3f3g n TYR 20 Cb 0.51 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.72 3f3g n TYR 20 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3f3g n GLY 21 N 0.08 -0.49 0.12 2.72 0.00 -1.13 -4.80 105.19 101.69 3f3g n GLY 21 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3f3g n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3g n ARG 22 N -2.91 0.70 -4.43 1.61 5.12 -1.26 -4.92 116.66 110.56 3f3g n ARG 22 Ca -0.05 0.24 -0.24 0.00 -1.93 0.00 0.00 57.85 55.86 3f3g n ARG 22 Cb 0.55 -1.70 -0.09 0.00 -1.16 0.00 0.00 32.46 30.06 3f3g n ARG 22 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3f3g s HIS 23 N -2.56 2.41 -0.03 -1.55 3.76 -1.26 -1.98 115.29 114.08 3f3g s HIS 23 Ca -0.17 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.41 3f3g s HIS 23 Cb 0.07 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.67 3f3g s HIS 23 CO 0.77 0.67 -0.03 0.14 -0.85 0.00 0.00 174.74 175.44 3f3g s VAL 24 N -2.48 0.35 -0.38 -0.90 -7.23 -0.96 -1.78 120.40 107.01 3f3g s VAL 24 Ca 0.31 -0.06 -0.10 0.00 -1.81 0.00 0.00 61.98 60.32 3f3g s VAL 24 Cb -0.04 -0.38 0.05 0.00 0.56 0.00 0.00 36.38 36.57 3f3g s VAL 24 CO 0.17 0.16 0.21 0.00 -0.31 0.00 0.00 175.10 175.32 3f3g s ALA 25 N 0.66 3.25 0.76 1.32 0.00 0.10 -1.19 121.76 126.65 3f3g s ALA 25 Ca -0.07 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 49.94 3f3g s ALA 25 Cb -0.11 -2.56 0.09 0.00 0.00 0.00 0.00 23.12 20.53 3f3g s ALA 25 CO -0.01 -1.46 1.09 0.99 0.00 0.00 0.00 175.76 176.37 3f3g s THR 26 N 1.49 2.17 -0.30 0.00 2.01 0.16 -2.47 115.64 118.71 3f3g s THR 26 Ca 0.02 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 3f3g s THR 26 Cb -0.20 -2.97 0.21 0.00 0.01 0.00 0.00 72.50 69.54 3f3g s THR 26 CO 0.05 0.00 1.28 0.00 -0.69 0.00 0.00 174.62 175.25 3f3g n SER 28 N 3.60 0.67 0.02 0.00 3.41 -1.22 -0.67 113.62 119.42 3f3g n SER 28 Ca -0.13 -0.77 0.10 0.00 -0.26 0.00 0.00 58.87 57.81 3f3g n SER 28 Cb 0.56 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.95 3f3g n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3f3g n SER 29 N -1.79 0.10 -0.46 4.04 7.64 -0.37 -2.32 113.62 120.47 3f3g n SER 29 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.40 3f3g n SER 29 Cb 0.00 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 62.68 3f3g n SER 29 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3f3g n ASP 30 N -1.61 1.02 -2.25 6.43 5.75 -1.26 -4.50 116.55 120.12 3f3g n ASP 30 Ca 0.05 -2.04 -0.16 0.00 -0.01 0.00 0.00 54.79 52.63 3f3g n ASP 30 Cb 0.25 -0.40 -0.02 0.00 -1.03 0.00 0.00 41.12 39.92 3f3g n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f3g n GLN 31 N -0.06 -1.89 -4.90 0.11 6.02 -1.14 -4.95 117.38 110.57 3f3g n GLN 31 Ca 0.01 0.80 -0.26 0.00 -0.01 0.00 0.00 57.00 57.54 3f3g n GLN 31 Cb 0.24 -5.37 -0.16 0.00 1.02 0.00 0.00 30.24 25.97 3f3g n GLN 31 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3f3g s HIS 32 N -2.72 1.77 -0.19 1.08 3.76 -1.26 -1.41 115.29 116.33 3f3g s HIS 32 Ca 0.00 -0.45 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 3f3g s HIS 32 Cb 0.00 -1.17 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 3f3g s HIS 32 CO 0.00 -0.12 0.06 0.42 -0.85 0.00 0.00 174.74 174.25 3f3g s ILE 33 N -0.15 4.76 -0.10 0.60 1.01 -0.98 -3.44 121.20 122.91 3f3g s ILE 33 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.63 3f3g s ILE 33 Cb -0.10 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3f3g s ILE 33 CO 0.01 0.45 -0.14 -0.54 0.00 0.00 0.00 174.94 174.72 3f3g s LYS 34 N 0.48 2.06 -0.19 2.79 1.02 -1.03 -2.61 119.74 122.26 3f3g s LYS 34 Ca 0.03 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 3f3g s LYS 34 Cb -0.13 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 3f3g s LYS 34 CO 0.01 -0.06 0.06 0.08 -0.92 0.00 0.00 175.35 174.51 3f3g s VAL 35 N 0.99 4.69 0.03 3.17 1.01 -0.60 0.41 120.40 130.11 3f3g s VAL 35 Ca -0.07 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3f3g s VAL 35 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3f3g s VAL 35 CO -0.01 0.45 -0.07 -0.36 0.00 0.00 0.00 175.10 175.11 3f3g s PHE 36 N 0.52 2.86 0.01 5.22 0.40 -0.34 0.07 117.98 126.72 3f3g s PHE 36 Ca 0.03 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 3f3g s PHE 36 Cb -0.13 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 3f3g s PHE 36 CO 0.01 0.39 -0.10 0.21 0.70 0.00 0.00 175.22 176.43 3f3g s LYS 37 N -1.67 2.42 -0.47 0.44 2.20 -0.80 -2.26 119.74 119.60 3f3g s LYS 37 Ca 0.19 -0.79 -0.18 0.00 -0.36 0.00 0.00 55.97 54.83 3f3g s LYS 37 Cb -0.11 -2.41 0.05 0.00 -1.51 0.00 0.00 37.83 33.85 3f3g s LYS 37 CO 0.10 0.59 0.53 -1.17 -0.36 0.00 0.00 175.35 175.04 3f3g s LEU 38 N -1.39 5.02 0.05 5.43 2.96 -0.84 -1.43 118.68 128.47 3f3g s LEU 38 Ca 0.16 -0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 52.90 3f3g s LEU 38 Cb -0.11 -2.40 -0.09 0.00 0.50 0.00 0.00 46.19 44.09 3f3g s LEU 38 CO 0.07 -0.75 1.84 -0.62 -1.32 0.00 0.00 176.35 175.57 3f3g s ASP 39 N 2.36 6.50 0.09 3.68 2.15 -0.77 -4.91 116.67 125.76 3f3g s ASP 39 Ca 0.13 2.60 -0.30 0.00 0.43 0.00 0.00 52.55 55.41 3f3g s ASP 39 Cb -0.19 -2.54 -0.15 0.00 -0.30 0.00 0.00 42.92 39.73 3f3g s ASP 39 CO 0.12 -1.00 1.64 0.11 -0.17 0.00 0.00 175.17 175.87 3f3g h LYS 40 N 9.64 -0.65 0.00 4.34 1.57 -1.96 -3.33 116.57 126.18 3f3g h LYS 40 Ca -0.46 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3f3g h LYS 40 Cb 1.22 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3f3g h LYS 40 CO 0.94 -0.43 0.00 -0.25 -0.57 0.00 0.00 179.45 179.14 3f3g n ASP 41 N -5.41 0.00 -4.80 0.86 9.92 -1.26 -4.62 116.55 111.24 3f3g n ASP 41 Ca -0.11 0.74 -0.39 0.00 -0.53 0.00 0.00 54.79 54.50 3f3g n ASP 41 Cb 0.31 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.50 3f3g n ASP 41 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3f3g s THR 42 N -1.94 4.78 0.00 -3.53 -4.23 -1.25 -4.95 115.64 104.52 3f3g s THR 42 Ca 0.00 1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 61.70 3f3g s THR 42 Cb 0.00 -3.90 -0.13 0.00 1.34 0.00 0.00 72.50 69.81 3f3g s THR 42 CO 0.00 0.52 2.23 -1.20 -0.54 0.00 0.00 174.62 175.64 3f3g n SER 43 N 1.96 3.61 -4.37 3.99 7.64 -1.26 -4.14 113.62 121.05 3f3g n SER 43 Ca -0.10 -2.10 -0.29 0.00 1.01 0.00 0.00 58.87 57.39 3f3g n SER 43 Cb 0.51 -0.91 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 3f3g n SER 43 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3f3g s ASN 44 N 2.21 3.24 -0.00 6.43 -0.87 -1.26 -4.99 114.94 119.70 3f3g s ASN 44 Ca 0.31 -0.71 -0.08 0.00 -1.57 0.00 0.00 52.86 50.81 3f3g s ASN 44 Cb 0.15 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.25 41.10 3f3g s ASN 44 CO 0.00 0.19 0.28 0.26 -2.57 0.00 0.00 177.10 175.26 3f3g s TRP 45 N -1.00 3.60 -0.10 2.20 0.52 -1.26 -1.84 118.94 121.05 3f3g s TRP 45 Ca 0.13 0.64 -0.08 0.00 0.02 0.00 0.00 56.10 56.81 3f3g s TRP 45 Cb -0.10 -2.04 0.03 0.00 -1.15 0.00 0.00 33.47 30.22 3f3g s TRP 45 CO 0.05 0.63 0.26 -1.21 0.02 0.00 0.00 176.95 176.70 3f3g s GLU 46 N -1.58 0.28 -0.34 4.98 2.02 -0.51 -4.95 118.70 118.60 3f3g s GLU 46 Ca 0.26 0.43 -0.42 0.00 0.02 0.00 0.00 54.97 55.26 3f3g s GLU 46 Cb -0.14 0.06 -0.17 0.00 0.10 0.00 0.00 34.13 33.99 3f3g s GLU 46 CO 0.14 -0.08 1.73 -0.11 0.02 0.00 0.00 175.26 176.97 3f3g n LEU 47 N 3.38 2.10 0.03 1.80 7.94 -1.26 -1.91 117.00 129.08 3f3g n LEU 47 Ca -0.17 1.08 -0.17 0.00 -1.11 0.00 0.00 56.01 55.63 3f3g n LEU 47 Cb 0.57 -1.08 -0.14 0.00 0.53 0.00 0.00 43.42 43.29 3f3g n LEU 47 CO 0.16 -0.53 -0.55 -1.28 -1.11 0.00 0.00 177.39 174.09 3f3g h SER 48 N 6.90 0.35 -2.05 1.96 0.87 -0.70 -3.43 113.55 117.45 3f3g h SER 48 Ca -0.45 -0.62 0.21 0.00 -1.23 0.00 0.00 61.79 59.70 3f3g h SER 48 Cb 1.33 -0.11 -0.34 0.00 -0.44 0.00 0.00 62.40 62.84 3f3g h SER 48 CO 0.97 1.54 0.88 -0.62 -0.53 0.00 0.00 176.83 179.07 3f3g s ASP 49 N -6.87 -0.02 0.07 6.23 2.15 -1.11 -2.57 116.67 114.55 3f3g s ASP 49 Ca -0.13 0.04 0.09 0.00 0.43 0.00 0.00 52.55 52.98 3f3g s ASP 49 Cb 0.07 0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.96 3f3g s ASP 49 CO 0.82 -0.01 -0.23 -0.55 -0.17 0.00 0.00 175.17 175.03 3f3g s SER 50 N 0.28 2.83 -0.29 -0.34 0.15 -1.26 -1.56 113.70 113.51 3f3g s SER 50 Ca 0.04 -0.61 -0.21 0.00 0.70 0.00 0.00 55.95 55.86 3f3g s SER 50 Cb -0.04 -0.22 0.15 0.00 -1.71 0.00 0.00 66.02 64.20 3f3g s SER 50 CO -0.15 0.17 1.10 -1.66 1.20 0.00 0.00 173.24 173.91 3f3g s TRP 51 N -0.92 -0.40 -0.05 3.44 -2.14 -1.07 -4.36 118.94 113.44 3f3g s TRP 51 Ca 0.10 0.89 -0.34 0.00 2.66 0.00 0.00 56.10 59.40 3f3g s TRP 51 Cb -0.10 0.34 -0.12 0.00 -3.10 0.00 0.00 33.47 30.50 3f3g s TRP 51 CO 0.03 -0.20 1.83 -2.13 -2.66 0.00 0.00 176.95 173.82 3f3g n ARG 52 N 2.76 2.17 -0.10 3.25 0.63 -1.26 -2.31 116.66 121.79 3f3g n ARG 52 Ca -0.15 0.79 -0.21 0.00 -0.92 0.00 0.00 57.85 57.37 3f3g n ARG 52 Cb 0.57 -2.63 -0.08 0.00 0.45 0.00 0.00 32.46 30.77 3f3g n ARG 52 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3f3g n ALA 53 N 6.09 1.63 -2.59 5.13 0.00 -0.50 -4.92 120.51 125.36 3f3g n ALA 53 Ca 0.22 -0.84 -0.27 0.00 0.00 0.00 0.00 53.44 52.55 3f3g n ALA 53 Cb 0.29 0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 3f3g n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3f3g s HIS 54 N -2.39 2.28 -0.02 0.00 3.76 -1.24 -5.04 115.29 112.64 3f3g s HIS 54 Ca -0.29 -0.80 0.10 0.00 -0.15 0.00 0.00 55.06 53.92 3f3g s HIS 54 Cb 0.10 -1.61 -0.23 0.00 1.11 0.00 0.00 32.58 31.95 3f3g s HIS 54 CO 0.38 0.28 0.74 -0.44 -0.85 0.00 0.00 174.74 174.86 3f3g h ASP 55 N 1.82 0.05 -1.12 1.40 3.32 -1.97 -3.45 116.42 116.47 3f3g h ASP 55 Ca -0.43 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3f3g h ASP 55 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3f3g h ASP 55 CO 0.76 1.09 0.00 -0.24 -1.72 0.00 0.00 179.24 179.13 3f3g n SER 56 N -3.14 0.23 -4.71 6.45 2.88 -1.26 -4.94 113.62 109.12 3f3g n SER 56 Ca -0.15 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.97 3f3g n SER 56 Cb 1.03 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.47 3f3g n SER 56 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3f3g s SER 57 N -0.63 7.29 -0.07 -3.46 0.01 -1.26 -4.16 113.70 111.42 3f3g s SER 57 Ca 0.00 1.70 -0.18 0.00 1.31 0.00 0.00 55.95 58.78 3f3g s SER 57 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3f3g s SER 57 CO 0.00 -0.33 0.50 -0.63 0.41 0.00 0.00 173.24 173.19 3f3g s ILE 58 N 1.22 5.09 0.00 1.44 1.01 -0.98 -0.83 121.20 128.14 3f3g s ILE 58 Ca 0.53 1.02 0.00 0.00 0.00 0.00 0.00 60.65 62.20 3f3g s ILE 58 Cb -0.22 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.42 3f3g s ILE 58 CO 0.26 0.39 0.00 0.52 0.00 0.00 0.00 174.94 176.11 3f3g n VAL 59 N 3.13 0.00 -4.16 2.92 0.31 -0.79 -4.06 118.33 115.68 3f3g n VAL 59 Ca -0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.11 3f3g n VAL 59 Cb 0.52 0.20 -0.11 0.00 -0.91 0.00 0.00 33.84 33.54 3f3g n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f3g s ALA 60 N -1.90 1.04 0.12 3.52 0.00 -1.21 -3.91 121.76 119.44 3f3g s ALA 60 Ca 0.00 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.66 3f3g s ALA 60 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3f3g s ALA 60 CO 0.00 -0.06 0.35 0.42 0.00 0.00 0.00 175.76 176.48 3f3g s ILE 61 N -2.46 0.08 -0.30 0.00 1.01 -1.26 -2.75 121.20 115.53 3f3g s ILE 61 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 3f3g s ILE 61 Cb -0.03 -1.29 0.19 0.00 0.01 0.00 0.00 42.46 41.34 3f3g s ILE 61 CO -0.00 -0.38 1.27 -0.62 0.00 0.00 0.00 174.94 175.21 3f3g s ASP 62 N -2.83 -0.15 0.89 3.58 2.15 -1.09 -4.86 116.67 114.36 3f3g s ASP 62 Ca 0.05 0.26 -0.13 0.00 0.43 0.00 0.00 52.55 53.16 3f3g s ASP 62 Cb 0.02 0.69 0.16 0.00 -0.30 0.00 0.00 42.92 43.50 3f3g s ASP 62 CO -0.10 -0.04 1.24 0.26 -0.17 0.00 0.00 175.17 176.36 3f3g s TRP 63 N 0.63 1.96 -0.02 -5.34 0.52 -1.26 -1.70 118.94 113.72 3f3g s TRP 63 Ca -0.01 0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.50 3f3g s TRP 63 Cb -0.04 -3.82 -0.01 0.00 -1.15 0.00 0.00 33.47 28.45 3f3g s TRP 63 CO -0.12 -2.30 -0.16 0.00 0.02 0.00 0.00 176.95 174.39 3f3g s ALA 64 N -3.71 1.34 -0.15 0.98 0.00 -0.88 -4.65 121.76 114.68 3f3g s ALA 64 Ca 0.70 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 3f3g s ALA 64 Cb -0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 23.12 22.56 3f3g s ALA 64 CO 0.51 0.29 0.80 0.43 0.00 0.00 0.00 175.76 177.79 3f3g n SER 65 N 2.87 0.36 0.11 0.00 7.64 -1.26 -4.52 113.62 118.83 3f3g n SER 65 Ca -0.16 0.70 0.05 0.00 1.01 0.00 0.00 58.87 60.47 3f3g n SER 65 Cb 0.54 -0.54 0.25 0.00 -1.01 0.00 0.00 64.21 63.46 3f3g n SER 65 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3f3g n PRO 66 N 1.65 0.06 0.00 1.43 -0.02 -1.26 0.31 135.00 137.17 3f3g n PRO 66 Ca 0.15 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3f3g n PRO 66 Cb 0.01 -1.96 0.77 0.00 -0.02 0.00 0.00 33.50 32.30 3f3g n PRO 66 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3f3g n GLU 67 N -1.82 0.76 0.00 -0.52 0.28 -1.26 -2.18 120.64 115.89 3f3g n GLU 67 Ca -0.01 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3f3g n GLU 67 Cb 0.27 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.64 3f3g n GLU 67 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3f3g n TYR 68 N -1.05 0.00 0.00 -1.84 4.01 0.15 -5.12 117.16 113.31 3f3g n TYR 68 Ca 0.19 -0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3f3g n TYR 68 Cb 0.11 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3f3g n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3f3g n GLY 69 N -0.25 -0.96 3.17 2.72 0.00 -0.93 -4.78 105.19 104.15 3f3g n GLY 69 Ca 0.00 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3f3g n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3g s ARG 70 N 0.00 3.46 -0.33 1.61 1.81 -1.26 -4.17 118.95 120.08 3f3g s ARG 70 Ca 0.00 -3.20 -0.03 0.00 -1.72 0.00 0.00 55.73 50.78 3f3g s ARG 70 Cb 0.00 -4.10 0.06 0.00 -0.45 0.00 0.00 34.95 30.46 3f3g s ARG 70 CO 0.00 -1.25 0.06 0.42 -0.68 0.00 0.00 175.30 173.84 3f3g s ILE 71 N -1.22 3.21 -0.12 1.52 1.01 -1.26 -1.50 121.20 122.84 3f3g s ILE 71 Ca 0.27 -1.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 3f3g s ILE 71 Cb -0.09 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.44 3f3g s ILE 71 CO -0.11 -0.22 0.39 -0.63 0.00 0.00 0.00 174.94 174.36 3f3g s ILE 72 N 1.26 5.22 0.09 2.92 1.01 -0.90 -2.08 121.20 128.72 3f3g s ILE 72 Ca -0.02 0.76 0.07 0.00 0.00 0.00 0.00 60.65 61.45 3f3g s ILE 72 Cb -0.20 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3f3g s ILE 72 CO -0.01 0.39 -0.10 0.00 0.00 0.00 0.00 174.94 175.23 3f3g s ALA 73 N 0.30 2.96 -0.03 9.38 0.00 -0.69 -0.80 121.76 132.88 3f3g s ALA 73 Ca 0.22 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3f3g s ALA 73 Cb -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.06 3f3g s ALA 73 CO 0.08 0.64 0.12 -1.54 0.00 0.00 0.00 175.76 175.06 3f3g s SER 74 N -2.08 -0.05 0.10 0.00 1.04 -0.04 -2.68 113.70 109.98 3f3g s SER 74 Ca 0.21 0.04 0.09 0.00 0.48 0.00 0.00 55.95 56.77 3f3g s SER 74 Cb -0.11 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3f3g s SER 74 CO 0.13 -0.18 -0.24 0.00 0.98 0.00 0.00 173.24 173.93 3f3g s ALA 75 N -0.55 2.12 0.30 5.32 0.00 -1.11 -0.92 121.76 126.92 3f3g s ALA 75 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.58 3f3g s ALA 75 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3f3g s ALA 75 CO 0.01 0.47 0.31 0.45 0.00 0.00 0.00 175.76 176.99 3f3g s SER 76 N -1.79 0.99 0.00 0.00 0.15 -1.23 -1.88 113.70 109.94 3f3g s SER 76 Ca 0.11 -1.54 0.27 0.00 0.70 0.00 0.00 55.95 55.48 3f3g s SER 76 Cb -0.10 0.54 1.53 0.00 -1.71 0.00 0.00 66.02 66.29 3f3g s SER 76 CO 0.04 -1.07 1.94 -1.22 1.20 0.00 0.00 173.24 174.13 3f3g n TYR 77 N -0.51 0.00 0.71 3.44 4.01 -0.01 -2.61 117.16 122.18 3f3g n TYR 77 Ca 0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3f3g n TYR 77 Cb 0.63 -0.07 0.05 0.00 -0.31 0.00 0.00 39.34 39.64 3f3g n TYR 77 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3f3g n ASP 78 N -1.07 2.06 -1.31 7.72 5.68 -1.26 -4.58 116.55 123.79 3f3g n ASP 78 Ca 0.18 -2.16 -0.14 0.00 -0.50 0.00 0.00 54.79 52.16 3f3g n ASP 78 Cb 0.12 -0.53 -0.06 0.00 -1.14 0.00 0.00 41.12 39.51 3f3g n ASP 78 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3f3g n LYS 79 N 0.13 -1.43 -3.83 0.11 5.02 -1.17 -4.94 118.16 112.06 3f3g n LYS 79 Ca 0.05 0.90 -0.12 0.00 -2.02 0.00 0.00 58.31 57.12 3f3g n LYS 79 Cb 0.46 -5.17 -0.10 0.00 -0.02 0.00 0.00 35.03 30.20 3f3g n LYS 79 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3f3g s THR 80 N -2.20 0.05 0.04 -0.18 -4.23 -1.26 -4.14 115.64 103.73 3f3g s THR 80 Ca 0.00 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.09 3f3g s THR 80 Cb 0.00 -0.43 -0.04 0.00 1.34 0.00 0.00 72.50 73.37 3f3g s THR 80 CO 0.00 -0.24 0.12 -0.69 -0.54 0.00 0.00 174.62 173.27 3f3g s VAL 81 N -0.90 4.87 0.04 2.29 1.01 -1.14 -3.48 120.40 123.09 3f3g s VAL 81 Ca -0.10 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3f3g s VAL 81 Cb -0.05 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3f3g s VAL 81 CO 0.02 0.21 -0.12 -0.54 0.00 0.00 0.00 175.10 174.66 3f3g s LYS 82 N -2.20 0.82 0.13 2.72 1.02 -0.09 -0.01 119.74 122.12 3f3g s LYS 82 Ca 0.29 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.65 3f3g s LYS 82 Cb -0.12 -0.78 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 3f3g s LYS 82 CO 0.21 0.19 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.27 3f3g s LEU 83 N -1.10 3.19 -0.19 3.17 1.43 -1.23 -0.86 118.68 123.09 3f3g s LEU 83 Ca -0.00 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3f3g s LEU 83 Cb -0.08 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.30 3f3g s LEU 83 CO 0.01 0.14 0.16 0.26 0.23 0.00 0.00 176.35 177.15 3f3g s TRP 84 N -1.45 -0.04 -0.23 0.29 0.52 0.02 -1.19 118.94 116.86 3f3g s TRP 84 Ca 0.24 -0.06 -0.22 0.00 0.02 0.00 0.00 56.10 56.08 3f3g s TRP 84 Cb -0.10 -0.53 -0.02 0.00 -1.15 0.00 0.00 33.47 31.67 3f3g s TRP 84 CO 0.16 -0.56 0.70 -2.00 0.02 0.00 0.00 176.95 175.27 3f3g s GLU 85 N 2.23 4.17 0.38 4.98 2.12 -1.09 -2.11 118.70 129.38 3f3g s GLU 85 Ca 0.04 0.71 -0.28 0.00 0.36 0.00 0.00 54.97 55.81 3f3g s GLU 85 Cb -0.16 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.50 3f3g s GLU 85 CO -0.11 -0.39 1.43 -2.00 -0.54 0.00 0.00 175.26 173.66 3f3g s GLU 86 N 2.41 4.09 -0.51 4.30 2.12 -0.56 -3.02 118.70 127.53 3f3g s GLU 86 Ca 0.30 2.46 -0.13 0.00 0.36 0.00 0.00 54.97 57.96 3f3g s GLU 86 Cb -0.16 -2.93 0.12 0.00 0.26 0.00 0.00 34.13 31.43 3f3g s GLU 86 CO 0.09 -0.51 0.43 0.34 -0.54 0.00 0.00 175.26 175.08 3f3g s ASP 87 N -0.29 5.99 0.43 -1.70 -1.08 0.35 -4.89 116.67 115.48 3f3g s ASP 87 Ca 0.53 -1.83 0.13 0.00 -0.52 0.00 0.00 52.55 50.86 3f3g s ASP 87 Cb -0.44 -2.13 1.00 0.00 -1.46 0.00 0.00 42.92 39.89 3f3g s ASP 87 CO 0.60 -0.79 1.98 1.55 0.52 0.00 0.00 175.17 179.03 3f3g h PRO 88 N 8.71 0.43 -1.80 4.34 0.13 -1.94 -3.11 132.00 138.76 3f3g h PRO 88 Ca -0.26 -0.03 -0.41 0.00 -0.87 0.00 0.00 66.00 64.43 3f3g h PRO 88 Cb 1.09 -0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.97 3f3g h PRO 88 CO 0.96 0.28 0.36 -0.25 -0.23 0.00 0.00 178.00 179.13 3f3g n ASP 89 N -4.47 6.41 -0.89 1.44 8.00 -1.26 -4.90 116.55 120.87 3f3g n ASP 89 Ca 0.09 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.48 3f3g n ASP 89 Cb 0.34 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 3f3g n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f3g n GLN 90 N 0.74 1.57 -3.09 -1.24 1.13 -1.18 -5.16 117.38 110.16 3f3g n GLN 90 Ca 0.41 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 55.27 3f3g n GLN 90 Cb 0.58 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.99 3f3g n GLN 90 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3f3g s GLU 91 N -0.72 2.29 0.01 -1.09 0.41 -1.26 -5.11 118.70 113.22 3f3g s GLU 91 Ca 0.00 -1.68 0.07 0.00 -0.41 0.00 0.00 54.97 52.94 3f3g s GLU 91 Cb 0.00 -2.61 -0.02 0.00 -1.78 0.00 0.00 34.13 29.72 3f3g s GLU 91 CO 0.00 -0.86 -0.20 -1.21 -0.49 0.00 0.00 175.26 172.49 3f3g s GLU 92 N -4.65 1.52 0.00 1.61 2.02 -1.26 -4.54 118.70 113.39 3f3g s GLU 92 Ca 0.60 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.79 3f3g s GLU 92 Cb -0.05 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.64 3f3g s GLU 92 CO 0.38 0.41 0.00 0.00 0.02 0.00 0.00 175.26 176.07 3f3g n SER 94 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.80 113.62 110.97 3f3g n SER 94 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3f3g n SER 94 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3f3g n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f3g n GLY 95 N 1.04 0.44 2.10 5.00 0.00 -1.26 -4.90 105.19 107.61 3f3g n GLY 95 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3f3g n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3g n ARG 96 N 0.00 2.47 -0.00 1.61 1.74 -1.26 -4.42 116.66 116.80 3f3g n ARG 96 Ca 0.00 -3.24 0.09 0.00 -0.77 0.00 0.00 57.85 53.94 3f3g n ARG 96 Cb 0.00 -2.18 -0.12 0.00 -1.02 0.00 0.00 32.46 29.15 3f3g n ARG 96 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3f3g n ARG 97 N -1.02 0.42 -3.91 5.56 0.63 -1.26 -4.79 116.66 112.29 3f3g n ARG 97 Ca 0.56 -0.01 -0.13 0.00 -0.92 0.00 0.00 57.85 57.34 3f3g n ARG 97 Cb 1.14 -1.45 -0.14 0.00 0.45 0.00 0.00 32.46 32.46 3f3g n ARG 97 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3f3g s TRP 98 N -2.92 0.11 0.13 -0.14 0.52 -1.26 -0.49 118.94 114.88 3f3g s TRP 98 Ca 0.06 -0.00 0.08 0.00 0.02 0.00 0.00 56.10 56.27 3f3g s TRP 98 Cb 0.15 -0.11 -0.04 0.00 -1.15 0.00 0.00 33.47 32.31 3f3g s TRP 98 CO 0.82 -0.02 -0.14 -0.80 0.02 0.00 0.00 176.95 176.83 3f3g s ASN 99 N 0.19 4.11 -0.98 2.95 0.01 -1.17 -4.95 114.94 115.11 3f3g s ASN 99 Ca -0.02 -0.52 -0.24 0.00 -0.71 0.00 0.00 52.86 51.38 3f3g s ASN 99 Cb -0.03 -0.67 0.00 0.00 0.41 0.00 0.00 41.25 40.97 3f3g s ASN 99 CO -0.01 0.16 1.69 -0.54 -1.51 0.00 0.00 177.10 176.90 3f3g s LYS 100 N -2.31 3.11 0.62 -0.60 1.02 -1.26 -2.67 119.74 117.65 3f3g s LYS 100 Ca 0.20 -0.77 0.28 0.00 0.02 0.00 0.00 55.97 55.71 3f3g s LYS 100 Cb -0.10 -5.23 1.51 0.00 -0.52 0.00 0.00 37.83 33.48 3f3g s LYS 100 CO 0.12 -2.78 1.89 -0.07 -0.92 0.00 0.00 175.35 173.59 3f3g h LEU 101 N 15.21 0.00 0.00 3.17 3.38 -1.46 -3.45 115.31 132.15 3f3g h LEU 101 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3f3g h LEU 101 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3f3g h LEU 101 CO 1.33 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.86 3f3g s THR 103 N -2.76 -0.01 -0.86 0.00 2.01 -1.26 -3.49 115.64 109.27 3f3g s THR 103 Ca 0.00 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 3f3g s THR 103 Cb 0.00 -0.75 0.22 0.00 0.01 0.00 0.00 72.50 71.99 3f3g s THR 103 CO 0.00 0.02 0.78 -0.76 -0.69 0.00 0.00 174.62 173.97 3f3g s LEU 104 N 1.37 6.30 0.25 4.42 1.43 0.98 -4.90 118.68 128.54 3f3g s LEU 104 Ca -0.09 -3.01 0.25 0.00 -1.03 0.00 0.00 54.13 50.26 3f3g s LEU 104 Cb -0.07 -2.12 0.92 0.00 0.03 0.00 0.00 46.19 44.95 3f3g s LEU 104 CO -0.14 -0.44 1.75 -0.55 0.23 0.00 0.00 176.35 177.20 3f3g h ASN 105 N 7.25 0.00 -0.96 2.29 -1.07 -1.86 -3.01 115.58 118.21 3f3g h ASN 105 Ca 0.11 0.00 0.25 0.00 0.07 0.00 0.00 56.30 56.73 3f3g h ASN 105 Cb 0.97 0.00 -0.13 0.00 -2.07 0.00 0.00 38.32 37.09 3f3g h ASN 105 CO 0.81 0.00 0.51 0.44 0.07 0.00 0.00 177.43 179.25 3f3g h ASP 106 N 0.00 0.50 -2.11 6.14 5.19 -1.90 -3.41 116.42 120.83 3f3g h ASP 106 Ca 0.00 0.16 -0.58 0.00 -0.62 0.00 0.00 57.03 55.99 3f3g h ASP 106 Cb 0.53 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.14 3f3g h ASP 106 CO 0.00 0.01 1.43 -0.55 -3.12 0.00 0.00 179.24 177.01 3f3g s SER 107 N -5.13 5.65 -0.01 6.45 0.15 -1.26 -4.82 113.70 114.74 3f3g s SER 107 Ca -0.11 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.51 3f3g s SER 107 Cb 0.27 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 62.08 3f3g s SER 107 CO 0.79 -1.80 0.70 2.29 1.20 0.00 0.00 173.24 176.42 3f3g n LYS 108 N 8.53 1.06 -3.45 5.44 2.85 -1.26 -4.67 118.16 126.66 3f3g n LYS 108 Ca 0.28 -0.06 -0.11 0.00 -1.05 0.00 0.00 58.31 57.36 3f3g n LYS 108 Cb 0.44 -1.34 -0.02 0.00 -0.65 0.00 0.00 35.03 33.46 3f3g n LYS 108 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3f3g s GLY 109 N 0.33 -0.57 0.17 2.58 0.00 -1.26 -4.92 107.32 103.65 3f3g s GLY 109 Ca 0.01 0.73 -0.34 0.00 0.00 0.00 0.00 44.72 45.12 3f3g s GLY 109 CO 0.00 0.29 1.59 -1.14 0.00 0.00 0.00 173.10 173.84 3f3g n SER 110 N -0.23 3.17 -4.87 1.64 3.41 -1.26 -4.40 113.62 111.08 3f3g n SER 110 Ca -0.15 1.08 -0.31 0.00 -0.26 0.00 0.00 58.87 59.24 3f3g n SER 110 Cb 0.63 -1.44 -0.02 0.00 -0.26 0.00 0.00 64.21 63.13 3f3g n SER 110 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f3g s LEU 111 N 0.92 3.56 0.00 1.04 1.43 -1.07 0.34 118.68 124.90 3f3g s LEU 111 Ca 0.78 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 3f3g s LEU 111 Cb -0.66 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.25 3f3g s LEU 111 CO 0.37 -0.62 0.00 -1.22 0.23 0.00 0.00 176.35 175.11 3f3g n TYR 112 N -1.92 0.00 -3.69 0.29 4.02 -0.01 -4.39 117.16 111.46 3f3g n TYR 112 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 3f3g n TYR 112 Cb 0.54 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.77 3f3g n TYR 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3f3g s SER 113 N -3.28 -0.59 -0.05 7.72 0.15 -1.20 -4.34 113.70 112.11 3f3g s SER 113 Ca 0.00 1.07 -0.00 0.00 0.70 0.00 0.00 55.95 57.72 3f3g s SER 113 Cb 0.00 1.04 0.03 0.00 -1.71 0.00 0.00 66.02 65.37 3f3g s SER 113 CO 0.00 -0.19 -0.00 0.54 1.20 0.00 0.00 173.24 174.79 3f3g s VAL 114 N 0.71 0.31 -0.02 4.45 0.11 -1.26 -1.02 120.40 123.67 3f3g s VAL 114 Ca -0.04 0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.13 3f3g s VAL 114 Cb -0.05 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 3f3g s VAL 114 CO -0.05 0.21 -0.10 -0.54 -3.33 0.00 0.00 175.10 171.29 3f3g s LYS 115 N 1.48 1.00 0.18 1.54 -0.14 -0.79 -4.47 119.74 118.55 3f3g s LYS 115 Ca -0.03 -0.34 -0.30 0.00 -1.36 0.00 0.00 55.97 53.94 3f3g s LYS 115 Cb -0.13 -0.94 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 3f3g s LYS 115 CO -0.03 0.14 1.19 -0.06 -0.76 0.00 0.00 175.35 175.83 3f3g s PHE 116 N 0.11 3.45 0.90 3.18 0.08 -1.26 -1.73 117.98 122.70 3f3g s PHE 116 Ca -0.02 1.44 -0.11 0.00 0.12 0.00 0.00 56.93 58.36 3f3g s PHE 116 Cb -0.08 -3.41 0.13 0.00 -0.57 0.00 0.00 43.02 39.09 3f3g s PHE 116 CO 0.00 -1.14 1.10 0.00 -0.10 0.00 0.00 175.22 175.09 3f3g s ALA 117 N -0.04 1.48 0.64 5.36 0.00 -0.86 -4.87 121.76 123.47 3f3g s ALA 117 Ca 0.53 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 3f3g s ALA 117 Cb -0.32 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3f3g s ALA 117 CO 0.36 -2.52 1.09 -2.30 0.00 0.00 0.00 175.76 172.39 3f3g n PRO 118 N -4.04 0.90 0.14 0.00 -0.02 -1.26 -4.73 135.00 125.99 3f3g n PRO 118 Ca 0.09 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3f3g n PRO 118 Cb 0.53 -2.31 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 3f3g n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3f3g h ALA 119 N 0.36 1.78 0.00 3.55 0.00 -1.92 -2.84 119.26 120.19 3f3g h ALA 119 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3f3g h ALA 119 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3f3g h ALA 119 CO 0.51 0.18 0.00 -2.39 0.00 0.00 0.00 179.25 177.55 3f3g n HIS 120 N -4.45 0.12 0.02 0.00 1.44 -1.26 -1.74 115.22 109.35 3f3g n HIS 120 Ca -0.00 0.05 0.06 0.00 -2.01 0.00 0.00 57.72 55.81 3f3g n HIS 120 Cb 0.12 -0.58 -0.10 0.00 0.12 0.00 0.00 29.99 29.55 3f3g n HIS 120 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3f3g n LEU 121 N -1.61 0.43 0.00 2.39 4.77 -1.07 -5.09 117.00 116.81 3f3g n LEU 121 Ca 0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3f3g n LEU 121 Cb 0.11 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3f3g n LEU 121 CO 0.10 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3f3g n GLY 122 N 1.34 0.60 3.17 -0.72 0.00 -0.71 -4.90 105.19 103.96 3f3g n GLY 122 Ca -0.08 -1.82 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 3f3g n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f3g s LEU 123 N 0.00 5.75 0.41 0.99 2.96 -1.26 -4.47 118.68 123.06 3f3g s LEU 123 Ca 0.00 -3.54 0.07 0.00 -0.22 0.00 0.00 54.13 50.44 3f3g s LEU 123 Cb 0.00 -1.98 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 3f3g s LEU 123 CO 0.00 -0.25 0.08 -0.75 -1.32 0.00 0.00 176.35 174.11 3f3g s LYS 124 N -1.10 2.07 -0.16 1.98 2.20 -1.26 -3.21 119.74 120.27 3f3g s LYS 124 Ca 0.26 -1.99 -0.29 0.00 -0.36 0.00 0.00 55.97 53.60 3f3g s LYS 124 Cb -0.09 -1.79 0.09 0.00 -1.51 0.00 0.00 37.83 34.53 3f3g s LYS 124 CO -0.10 -0.07 0.83 -0.48 -0.36 0.00 0.00 175.35 175.16 3f3g s LEU 125 N -3.79 -0.56 0.27 5.43 0.05 0.11 -2.03 118.68 118.15 3f3g s LEU 125 Ca 0.38 0.79 0.11 0.00 0.05 0.00 0.00 54.13 55.46 3f3g s LEU 125 Cb 0.07 2.24 -0.05 0.00 -2.05 0.00 0.00 46.19 46.40 3f3g s LEU 125 CO 0.20 -0.40 -0.15 0.00 -0.55 0.00 0.00 176.35 175.45 3f3g s ALA 126 N -0.67 2.85 -0.26 1.48 0.00 -0.71 -1.33 121.76 123.13 3f3g s ALA 126 Ca -0.04 -1.81 -0.18 0.00 0.00 0.00 0.00 51.96 49.92 3f3g s ALA 126 Cb -0.02 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.78 3f3g s ALA 126 CO 0.04 0.28 0.65 0.00 0.00 0.00 0.00 175.76 176.73 3f3g s LEU 128 N 1.08 2.72 0.00 0.00 2.96 -0.19 -2.80 118.68 122.45 3f3g s LEU 128 Ca -0.06 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3f3g s LEU 128 Cb -0.05 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 45.04 3f3g s LEU 128 CO -0.11 0.14 0.20 0.61 -1.32 0.00 0.00 176.35 175.87 3f3g n GLY 129 N 3.72 2.30 0.23 7.98 0.00 -1.24 -0.83 105.19 117.35 3f3g n GLY 129 Ca -0.18 -2.18 0.13 0.00 0.00 0.00 0.00 46.02 43.79 3f3g n GLY 129 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3f3g h ASN 130 N 0.09 0.00 0.00 1.61 -0.73 -0.33 -3.04 115.58 113.18 3f3g h ASN 130 Ca -0.09 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.08 3f3g h ASN 130 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 3f3g h ASN 130 CO 0.13 0.01 0.00 -0.90 -0.37 0.00 0.00 177.43 176.30 3f3g n ASP 131 N -3.10 0.00 -2.48 1.15 5.75 -1.26 -4.81 116.55 111.80 3f3g n ASP 131 Ca 0.03 -0.86 -0.18 0.00 -0.01 0.00 0.00 54.79 53.77 3f3g n ASP 131 Cb 0.49 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.61 3f3g n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f3g n GLY 132 N 0.41 -0.31 3.13 6.12 0.00 -1.15 -4.90 105.19 108.50 3f3g n GLY 132 Ca 0.14 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3f3g n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f3g s ILE 133 N -3.05 1.94 0.34 -0.61 1.01 -1.26 0.24 121.20 119.81 3f3g s ILE 133 Ca 0.23 -0.90 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 3f3g s ILE 133 Cb -0.10 -1.74 -0.10 0.00 0.01 0.00 0.00 42.46 40.53 3f3g s ILE 133 CO 0.29 0.53 0.84 -0.22 0.00 0.00 0.00 174.94 176.38 3f3g s LEU 134 N 1.01 4.12 -0.07 2.97 2.96 0.21 -3.73 118.68 126.15 3f3g s LEU 134 Ca -0.03 1.54 -0.03 0.00 -0.22 0.00 0.00 54.13 55.39 3f3g s LEU 134 Cb -0.15 -4.14 0.04 0.00 0.50 0.00 0.00 46.19 42.44 3f3g s LEU 134 CO -0.05 -0.19 0.14 -0.13 -1.32 0.00 0.00 176.35 174.80 3f3g s ARG 135 N -2.72 0.07 -0.29 1.98 0.52 -1.12 -2.70 118.95 114.68 3f3g s ARG 135 Ca 0.54 0.42 -0.06 0.00 -0.52 0.00 0.00 55.73 56.12 3f3g s ARG 135 Cb -0.12 -0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.15 3f3g s ARG 135 CO 0.18 -0.21 0.06 -0.51 0.02 0.00 0.00 175.30 174.84 3f3g s LEU 136 N 1.52 3.80 0.10 2.53 1.43 -0.40 -2.70 118.68 124.97 3f3g s LEU 136 Ca -0.05 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3f3g s LEU 136 Cb -0.12 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3f3g s LEU 136 CO -0.06 -0.20 0.05 -0.31 0.23 0.00 0.00 176.35 176.06 3f3g s TYR 137 N 1.46 3.08 -0.30 0.29 2.02 -0.44 -0.12 117.35 123.35 3f3g s TYR 137 Ca 0.02 0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.59 3f3g s TYR 137 Cb -0.17 -1.56 0.15 0.00 -0.40 0.00 0.00 41.96 39.98 3f3g s TYR 137 CO 0.01 0.50 0.87 0.16 -1.57 0.00 0.00 175.55 175.53 3f3g s ASP 138 N -2.47 -0.77 -0.85 2.29 -4.77 -1.11 -0.72 116.67 108.27 3f3g s ASP 138 Ca 0.28 1.07 -0.25 0.00 -3.30 0.00 0.00 52.55 50.35 3f3g s ASP 138 Cb -0.12 1.84 -0.06 0.00 -1.09 0.00 0.00 42.92 43.49 3f3g s ASP 138 CO 0.20 -0.15 2.01 0.00 0.70 0.00 0.00 175.17 177.93 3f3g s ALA 139 N 2.51 1.58 0.44 2.11 0.00 -1.20 -2.64 121.76 124.56 3f3g s ALA 139 Ca -0.04 -1.30 0.32 0.00 0.00 0.00 0.00 51.96 50.94 3f3g s ALA 139 Cb -0.08 -4.53 1.48 0.00 0.00 0.00 0.00 23.12 19.99 3f3g s ALA 139 CO -0.18 -4.87 1.54 -0.11 0.00 0.00 0.00 175.76 172.15 3f3g n LEU 140 N 14.51 0.20 -4.18 0.00 7.94 -1.26 -3.58 117.00 130.64 3f3g n LEU 140 Ca 0.39 1.37 -0.36 0.00 -1.11 0.00 0.00 56.01 56.29 3f3g n LEU 140 Cb 0.47 -0.67 -0.13 0.00 0.53 0.00 0.00 43.42 43.62 3f3g n LEU 140 CO 0.60 -1.48 -0.26 -0.70 -1.11 0.00 0.00 177.39 174.44 3f3g s GLU 141 N -5.22 2.31 0.65 1.96 2.12 -1.26 -4.99 118.70 114.28 3f3g s GLU 141 Ca -0.07 -1.46 0.24 0.00 0.36 0.00 0.00 54.97 54.04 3f3g s GLU 141 Cb 0.31 -3.40 1.30 0.00 0.26 0.00 0.00 34.13 32.60 3f3g s GLU 141 CO 0.81 -0.80 1.74 -1.35 -0.54 0.00 0.00 175.26 175.11 3f3g h PRO 142 N 8.07 0.00 -0.28 4.30 0.11 -1.98 -2.57 132.00 139.65 3f3g h PRO 142 Ca -0.19 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.74 3f3g h PRO 142 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3f3g h PRO 142 CO 0.61 0.00 -0.54 0.66 -0.21 0.00 0.00 178.00 178.52 3f3g h SER 143 N 0.00 0.94 -3.62 -2.05 4.64 -1.94 -3.38 113.55 108.15 3f3g h SER 143 Ca 0.04 -0.50 -0.76 0.00 -0.47 0.00 0.00 61.79 60.10 3f3g h SER 143 Cb 1.03 -0.27 -0.28 0.00 -0.31 0.00 0.00 62.40 62.57 3f3g h SER 143 CO -0.00 1.30 -0.14 -0.62 -0.87 0.00 0.00 176.83 176.49 3f3g s ASP 144 N -6.95 6.18 -0.05 4.97 -1.08 -0.97 -4.94 116.67 113.83 3f3g s ASP 144 Ca -0.10 -2.38 -0.06 0.00 -0.52 0.00 0.00 52.55 49.49 3f3g s ASP 144 Cb 0.10 -2.11 -0.24 0.00 -1.46 0.00 0.00 42.92 39.21 3f3g s ASP 144 CO 0.89 -0.62 3.56 0.18 0.52 0.00 0.00 175.17 179.69 3f3g n LEU 145 N 4.34 5.36 0.00 -1.34 4.32 -1.26 -3.50 117.00 124.93 3f3g n LEU 145 Ca 0.03 -3.26 0.00 0.00 -0.02 0.00 0.00 56.01 52.76 3f3g n LEU 145 Cb 0.43 -1.41 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 3f3g n LEU 145 CO 0.40 1.71 -0.03 0.54 -1.22 0.00 0.00 177.39 178.78 3f3g n ARG 146 N 2.39 3.38 -3.69 3.23 1.74 -1.26 -4.79 116.66 117.66 3f3g n ARG 146 Ca 0.44 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 57.13 3f3g n ARG 146 Cb 0.89 -0.53 -0.12 0.00 -1.02 0.00 0.00 32.46 31.68 3f3g n ARG 146 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f3g s SER 147 N -0.53 5.48 -0.09 0.55 1.04 -1.23 -4.60 113.70 114.32 3f3g s SER 147 Ca 0.00 -1.23 -0.01 0.00 0.48 0.00 0.00 55.95 55.19 3f3g s SER 147 Cb 0.00 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 64.16 3f3g s SER 147 CO 0.00 -0.40 -0.03 0.26 0.98 0.00 0.00 173.24 174.05 3f3g s TRP 148 N 1.43 3.05 0.34 5.02 0.52 -1.26 -4.13 118.94 123.91 3f3g s TRP 148 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.25 3f3g s TRP 148 Cb -0.20 -1.79 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 3f3g s TRP 148 CO 0.03 0.34 0.29 0.99 0.02 0.00 0.00 176.95 178.62 3f3g s THR 149 N -0.66 3.50 -0.78 2.01 2.01 -1.08 -4.84 115.64 115.80 3f3g s THR 149 Ca 0.10 -1.38 -0.19 0.00 0.31 0.00 0.00 61.69 60.53 3f3g s THR 149 Cb -0.12 -3.17 0.12 0.00 0.01 0.00 0.00 72.50 69.34 3f3g s THR 149 CO 0.02 -0.17 0.95 -0.76 -0.69 0.00 0.00 174.62 173.97 3f3g s LEU 150 N -3.99 5.18 0.00 4.42 1.43 -1.26 -2.73 118.68 121.73 3f3g s LEU 150 Ca 0.41 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 3f3g s LEU 150 Cb -0.06 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3f3g s LEU 150 CO 0.26 -1.11 0.68 0.41 0.23 0.00 0.00 176.35 176.83 3f3g n THR 151 N 5.43 0.00 -4.42 5.49 -1.04 0.83 -4.91 114.28 115.67 3f3g n THR 151 Ca 0.09 1.15 -0.23 0.00 -2.04 0.00 0.00 64.05 63.02 3f3g n THR 151 Cb 0.46 -2.10 -0.10 0.00 -1.82 0.00 0.00 70.33 66.77 3f3g n THR 151 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3f3g s SER 152 N -2.06 3.22 -0.42 8.00 0.01 -1.23 -4.97 113.70 116.25 3f3g s SER 152 Ca 0.00 -0.98 0.04 0.00 1.31 0.00 0.00 55.95 56.32 3f3g s SER 152 Cb 0.00 -0.24 0.17 0.00 0.21 0.00 0.00 66.02 66.16 3f3g s SER 152 CO 0.00 -0.01 0.46 -0.70 0.41 0.00 0.00 173.24 173.40 3f3g s GLU 153 N -3.33 0.82 0.14 12.44 2.12 -1.26 -1.27 118.70 128.36 3f3g s GLU 153 Ca 0.25 -1.23 -0.02 0.00 0.36 0.00 0.00 54.97 54.33 3f3g s GLU 153 Cb -0.05 -0.73 -0.05 0.00 0.26 0.00 0.00 34.13 33.57 3f3g s GLU 153 CO 0.11 -1.28 0.33 -1.64 -0.54 0.00 0.00 175.26 172.24 3f3g s MET 154 N 0.94 3.53 -0.13 4.30 -1.94 -1.10 -4.91 119.30 119.99 3f3g s MET 154 Ca 0.24 -0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.92 3f3g s MET 154 Cb -0.06 -2.90 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3f3g s MET 154 CO -0.08 0.49 -0.12 0.21 -0.01 0.00 0.00 175.02 175.51 3f3g s LYS 155 N -2.86 3.40 0.00 2.03 2.20 -1.26 0.67 119.74 123.91 3f3g s LYS 155 Ca 0.38 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 3f3g s LYS 155 Cb -0.12 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 3f3g s LYS 155 CO 0.27 0.22 0.15 0.28 -0.36 0.00 0.00 175.35 175.91 3f3g n VAL 156 N 3.50 0.00 -2.20 4.02 0.31 0.14 -4.96 118.33 119.14 3f3g n VAL 156 Ca -0.18 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 3f3g n VAL 156 Cb 0.53 -0.91 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 3f3g n VAL 156 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3f3g n LEU 157 N -1.07 0.00 -4.51 7.52 4.77 -1.25 -5.10 117.00 117.36 3f3g n LEU 157 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3f3g n LEU 157 Cb 0.00 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.33 3f3g n LEU 157 CO 0.00 0.00 0.54 -0.94 -1.33 0.00 0.00 177.39 175.66 3f3g s SER 158 N 1.48 0.73 -0.44 -1.43 1.04 -1.26 -4.59 113.70 109.24 3f3g s SER 158 Ca 0.00 1.00 0.10 0.00 0.48 0.00 0.00 55.95 57.53 3f3g s SER 158 Cb 0.00 -1.51 0.37 0.00 0.10 0.00 0.00 66.02 64.99 3f3g s SER 158 CO 0.00 -4.28 0.88 -0.38 0.98 0.00 0.00 173.24 170.44 3f3g n ILE 159 N -4.92 1.35 0.13 -1.02 -0.00 -1.26 -4.86 119.36 108.78 3f3g n ILE 159 Ca 0.09 -4.69 -0.00 0.00 -0.00 0.00 0.00 62.75 58.14 3f3g n ILE 159 Cb 0.58 -0.59 0.10 0.00 -0.00 0.00 0.00 39.64 39.73 3f3g n ILE 159 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 3f3g h PRO 160 N 2.94 0.00 0.00 0.38 0.13 -1.96 -3.52 132.00 129.96 3f3g h PRO 160 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3f3g h PRO 160 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3f3g h PRO 160 CO 0.64 0.64 0.00 -1.13 -0.23 0.00 0.00 178.00 177.93 3f3g n SER 167 N -3.48 0.00 -3.81 1.44 3.41 -1.26 -5.31 113.62 104.61 3f3g n SER 167 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 3f3g n SER 167 Cb 0.71 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.56 3f3g n SER 167 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3f3g s ASP 168 N 0.00 -0.12 0.30 4.04 -1.08 -1.26 -5.05 116.67 113.50 3f3g s ASP 168 Ca 0.00 0.03 0.03 0.00 -0.52 0.00 0.00 52.55 52.09 3f3g s ASP 168 Cb 0.00 0.30 -0.03 0.00 -1.46 0.00 0.00 42.92 41.74 3f3g s ASP 168 CO 0.00 -0.37 0.29 -0.36 0.52 0.00 0.00 175.17 175.25 3f3g s PHE 169 N -1.16 1.45 0.00 -5.34 0.40 -1.26 -1.55 117.98 110.52 3f3g s PHE 169 Ca -0.12 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 54.70 3f3g s PHE 169 Cb -0.06 -0.53 0.00 0.00 0.51 0.00 0.00 43.02 42.94 3f3g s PHE 169 CO 0.03 -0.88 0.00 0.00 0.70 0.00 0.00 175.22 175.07 3f3g s LEU 171 N 0.00 -0.19 -0.29 0.00 2.34 -1.26 -1.69 118.68 117.59 3f3g s LEU 171 Ca 0.00 -0.59 -0.16 0.00 0.06 0.00 0.00 54.13 53.44 3f3g s LEU 171 Cb 0.00 2.49 0.11 0.00 -0.56 0.00 0.00 46.19 48.23 3f3g s LEU 171 CO 0.00 -1.20 0.81 -0.55 -1.06 0.00 0.00 176.35 174.35 3f3g s SER 172 N -2.97 -0.77 1.03 1.48 0.15 -0.50 -4.89 113.70 107.23 3f3g s SER 172 Ca 0.13 1.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.96 3f3g s SER 172 Cb -0.04 1.36 0.05 0.00 -1.71 0.00 0.00 66.02 65.68 3f3g s SER 172 CO 0.06 -0.19 0.22 0.79 1.20 0.00 0.00 173.24 175.31 3f3g n TRP 173 N 4.14 -3.46 -3.72 3.44 7.02 -1.26 -1.69 117.44 121.91 3f3g n TRP 173 Ca -0.19 -0.19 -0.37 0.00 -1.02 0.00 0.00 57.50 55.72 3f3g n TRP 173 Cb 0.58 -0.20 -0.10 0.00 -2.42 0.00 0.00 31.31 29.16 3f3g n TRP 173 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3f3g h PRO 175 N 7.94 -0.04 -4.48 0.00 0.11 -1.89 -3.44 132.00 130.20 3f3g h PRO 175 Ca -0.12 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.35 3f3g h PRO 175 Cb 1.04 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3f3g h PRO 175 CO 0.73 -0.02 0.61 0.45 -0.21 0.00 0.00 178.00 179.56 3f3g n SER 176 N -5.48 0.84 0.01 -2.05 2.88 -1.26 -4.84 113.62 103.72 3f3g n SER 176 Ca 0.09 0.81 0.12 0.00 -1.33 0.00 0.00 58.87 58.57 3f3g n SER 176 Cb 0.40 -0.66 0.53 0.00 -0.75 0.00 0.00 64.21 63.73 3f3g n SER 176 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3f3g n ARG 177 N 3.50 0.03 -0.48 -1.46 0.63 -1.26 -3.66 116.66 113.96 3f3g n ARG 177 Ca 0.27 0.08 0.08 0.00 -0.92 0.00 0.00 57.85 57.36 3f3g n ARG 177 Cb -0.04 -1.54 0.27 0.00 0.45 0.00 0.00 32.46 31.60 3f3g n ARG 177 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3f3g n PHE 178 N -1.59 1.09 -4.62 -0.14 3.72 -1.26 -4.97 117.46 109.69 3f3g n PHE 178 Ca 0.06 -0.76 -0.24 0.00 -0.05 0.00 0.00 57.45 56.46 3f3g n PHE 178 Cb 0.31 -0.28 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 3f3g n PHE 178 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3f3g s SER 179 N -1.48 2.28 0.06 4.37 0.15 -1.24 -5.10 113.70 112.75 3f3g s SER 179 Ca 0.42 -0.49 -0.35 0.00 0.70 0.00 0.00 55.95 56.23 3f3g s SER 179 Cb 0.31 -0.19 -0.14 0.00 -1.71 0.00 0.00 66.02 64.29 3f3g s SER 179 CO 0.13 0.14 1.58 -0.81 1.20 0.00 0.00 173.24 175.48 3f3g n PRO 180 N 1.95 1.79 -1.19 5.44 -0.04 -1.26 -4.81 135.00 136.89 3f3g n PRO 180 Ca -0.17 0.65 -0.45 0.00 -0.04 0.00 0.00 63.50 63.49 3f3g n PRO 180 Cb 0.54 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.55 3f3g n PRO 180 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3f3g n GLU 181 N 3.87 0.00 -3.50 0.54 2.13 -1.26 -4.86 120.64 117.56 3f3g n GLU 181 Ca 0.19 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.85 3f3g n GLU 181 Cb 0.25 -1.11 -0.05 0.00 0.27 0.00 0.00 31.44 30.80 3f3g n GLU 181 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3f3g s LYS 182 N -0.19 1.07 -0.01 5.31 -2.85 -1.26 -2.33 119.74 119.47 3f3g s LYS 182 Ca 0.68 0.10 0.01 0.00 -1.00 0.00 0.00 55.97 55.76 3f3g s LYS 182 Cb -0.96 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 35.33 3f3g s LYS 182 CO 0.46 -0.37 -0.02 -1.17 0.10 0.00 0.00 175.35 174.35 3f3g s LEU 183 N -1.51 1.68 -0.24 2.77 2.96 0.82 -1.88 118.68 123.28 3f3g s LEU 183 Ca -0.08 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 3f3g s LEU 183 Cb -0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.45 3f3g s LEU 183 CO 0.05 -0.01 0.03 0.00 -1.32 0.00 0.00 176.35 175.09 3f3g s ALA 184 N 0.35 3.03 0.04 5.97 0.00 -0.68 0.30 121.76 130.76 3f3g s ALA 184 Ca -0.03 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.84 3f3g s ALA 184 Cb -0.06 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 3f3g s ALA 184 CO -0.01 -0.49 -0.20 0.08 0.00 0.00 0.00 175.76 175.14 3f3g s VAL 185 N 1.56 2.62 -0.10 0.00 1.01 -0.11 -1.41 120.40 123.96 3f3g s VAL 185 Ca 0.06 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.80 3f3g s VAL 185 Cb -0.15 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3f3g s VAL 185 CO 0.01 0.35 -0.08 -0.94 0.00 0.00 0.00 175.10 174.43 3f3g s SER 186 N -1.38 2.09 -0.27 3.32 1.04 -0.68 -0.58 113.70 117.23 3f3g s SER 186 Ca 0.14 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.29 3f3g s SER 186 Cb -0.10 -0.83 0.06 0.00 0.10 0.00 0.00 66.02 65.24 3f3g s SER 186 CO 0.04 -0.09 -0.09 0.00 0.98 0.00 0.00 173.24 174.09 3f3g s ALA 187 N 1.51 2.62 0.00 5.32 0.00 -0.99 -3.01 121.76 127.21 3f3g s ALA 187 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3f3g s ALA 187 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3f3g s ALA 187 CO -0.06 -1.22 0.00 1.28 0.00 0.00 0.00 175.76 175.76 3f3g n LEU 188 N 4.47 0.00 -0.93 0.00 4.77 -0.60 -1.07 117.00 123.64 3f3g n LEU 188 Ca -0.14 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 3f3g n LEU 188 Cb 0.42 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.72 3f3g n LEU 188 CO 0.22 0.00 0.65 -0.62 -1.33 0.00 0.00 177.39 176.31 3f3g n GLU 189 N 8.49 2.33 -4.30 3.23 1.02 -1.26 -0.25 120.64 129.90 3f3g n GLU 189 Ca 0.00 -1.64 -0.23 0.00 -0.02 0.00 0.00 57.16 55.26 3f3g n GLU 189 Cb 0.00 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 3f3g n GLU 189 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3f3g s GLN 190 N -1.57 2.19 -0.26 3.49 -1.52 -0.24 -4.71 119.66 117.05 3f3g s GLN 190 Ca 0.30 -1.54 -0.03 0.00 -1.95 0.00 0.00 55.36 52.14 3f3g s GLN 190 Cb 0.17 -2.07 0.15 0.00 -0.22 0.00 0.00 33.01 31.04 3f3g s GLN 190 CO 0.17 0.29 0.48 0.00 -0.25 0.00 0.00 175.29 175.98 3f3g s ALA 191 N -2.39 -1.58 0.00 6.09 0.00 -1.26 -2.36 121.76 120.26 3f3g s ALA 191 Ca 0.33 1.42 0.07 0.00 0.00 0.00 0.00 51.96 53.78 3f3g s ALA 191 Cb -0.05 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 3f3g s ALA 191 CO 0.20 -1.20 -0.22 0.42 0.00 0.00 0.00 175.76 174.95 3f3g s ILE 192 N 2.69 1.78 -0.13 0.00 1.01 0.26 -1.60 121.20 125.21 3f3g s ILE 192 Ca 0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 3f3g s ILE 192 Cb -0.15 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3f3g s ILE 192 CO -0.17 0.41 0.05 -0.63 0.00 0.00 0.00 174.94 174.60 3f3g s ILE 193 N -0.62 4.76 -0.01 2.92 1.01 0.19 -0.94 121.20 128.51 3f3g s ILE 193 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.74 3f3g s ILE 193 Cb -0.09 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3f3g s ILE 193 CO 0.00 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 174.97 3f3g s TYR 194 N -0.41 2.49 0.08 3.97 2.02 0.15 -1.08 117.35 124.56 3f3g s TYR 194 Ca 0.09 -0.31 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3f3g s TYR 194 Cb -0.12 -1.52 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3f3g s TYR 194 CO 0.02 0.11 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.84 3f3g s GLN 195 N -0.89 0.80 0.37 -0.62 0.74 -0.42 -0.13 119.66 119.51 3f3g s GLN 195 Ca 0.12 -0.98 -0.26 0.00 0.05 0.00 0.00 55.36 54.28 3f3g s GLN 195 Cb -0.10 -0.71 -0.09 0.00 1.10 0.00 0.00 33.01 33.21 3f3g s GLN 195 CO 0.01 0.15 1.10 0.50 -0.55 0.00 0.00 175.29 176.49 3f3g s ARG 196 N -1.97 4.25 0.54 1.67 6.06 -0.98 -1.88 118.95 126.64 3f3g s ARG 196 Ca -0.01 1.68 0.06 0.00 -2.50 0.00 0.00 55.73 54.96 3f3g s ARG 196 Cb -0.08 -2.75 0.05 0.00 0.06 0.00 0.00 34.95 32.23 3f3g s ARG 196 CO 0.02 -0.10 0.74 0.20 -2.50 0.00 0.00 175.30 173.65 3f3g s GLY 197 N -1.26 1.83 0.46 8.12 0.00 -0.29 -4.91 107.32 111.26 3f3g s GLY 197 Ca 0.54 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.67 3f3g s GLY 197 CO 0.34 -1.40 2.01 0.50 0.00 0.00 0.00 173.10 174.55 3f3g h LYS 198 N 0.21 0.00 -0.05 2.90 1.79 -1.96 -1.36 116.57 118.10 3f3g h LYS 198 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3f3g h LYS 198 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3f3g h LYS 198 CO 0.45 0.16 0.00 -0.40 -1.08 0.00 0.00 179.45 178.58 3f3g n ASP 199 N -4.34 0.63 -0.25 0.86 5.75 -1.26 -4.92 116.55 113.02 3f3g n ASP 199 Ca -0.03 -1.46 -0.03 0.00 -0.01 0.00 0.00 54.79 53.26 3f3g n ASP 199 Cb 0.23 -0.03 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 3f3g n ASP 199 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f3g n GLY 200 N 0.95 0.59 3.55 6.12 0.00 -0.51 -5.02 105.19 110.88 3f3g n GLY 200 Ca 0.16 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3f3g n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3g s LYS 201 N -1.56 2.00 0.68 1.61 1.02 -1.26 -4.80 119.74 117.43 3f3g s LYS 201 Ca 0.00 -1.18 -0.13 0.00 0.02 0.00 0.00 55.97 54.68 3f3g s LYS 201 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3f3g s LYS 201 CO 0.00 0.47 1.08 -0.51 -0.92 0.00 0.00 175.35 175.47 3f3g s LEU 202 N -2.47 3.28 0.05 3.17 1.43 -1.26 -1.13 118.68 121.74 3f3g s LEU 202 Ca 0.22 1.82 -0.14 0.00 -1.03 0.00 0.00 54.13 55.00 3f3g s LEU 202 Cb -0.10 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.62 3f3g s LEU 202 CO 0.13 -1.56 0.31 -1.00 0.23 0.00 0.00 176.35 174.47 3f3g s HIS 203 N -2.66 -0.10 -0.51 0.29 3.76 -0.79 -4.86 115.29 110.41 3f3g s HIS 203 Ca 0.63 -0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 55.23 3f3g s HIS 203 Cb -0.17 0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.66 3f3g s HIS 203 CO 0.47 -0.52 0.92 0.08 -0.85 0.00 0.00 174.74 174.83 3f3g s VAL 204 N -2.72 4.44 -0.07 -0.90 1.01 -1.26 -1.30 120.40 119.59 3f3g s VAL 204 Ca -0.04 0.46 0.14 0.00 0.00 0.00 0.00 61.98 62.54 3f3g s VAL 204 Cb -0.00 -4.48 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 3f3g s VAL 204 CO -0.04 -0.98 1.10 0.00 0.00 0.00 0.00 175.10 175.18 3f3g h ALA 205 N 9.20 0.61 0.00 5.51 0.00 -1.44 -3.48 119.26 129.67 3f3g h ALA 205 Ca -0.25 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.85 3f3g h ALA 205 Cb 1.08 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3f3g h ALA 205 CO 1.05 0.98 0.00 0.00 0.00 0.00 0.00 179.25 181.28 3f3g n ALA 206 N -2.35 0.00 -2.54 0.00 0.00 -1.20 -4.59 120.51 109.83 3f3g n ALA 206 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 3f3g n ALA 206 Cb 0.85 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.19 3f3g n ALA 206 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3f3g s LYS 207 N -2.00 1.01 -0.51 0.00 1.02 -1.26 0.57 119.74 118.57 3f3g s LYS 207 Ca 0.00 -1.18 -0.15 0.00 0.02 0.00 0.00 55.97 54.66 3f3g s LYS 207 Cb 0.00 -0.96 0.11 0.00 -0.52 0.00 0.00 37.83 36.46 3f3g s LYS 207 CO 0.00 0.19 0.44 -0.51 -0.92 0.00 0.00 175.35 174.56 3f3g s LEU 208 N -2.27 5.93 0.56 3.17 1.43 -0.62 -4.97 118.68 121.91 3f3g s LEU 208 Ca 0.07 -1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 51.36 3f3g s LEU 208 Cb -0.06 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3f3g s LEU 208 CO 0.03 -0.77 1.02 -2.16 0.23 0.00 0.00 176.35 174.71 3f3g s PRO 209 N 1.58 3.60 0.00 1.29 0.04 -1.26 -4.53 135.00 135.72 3f3g s PRO 209 Ca 0.04 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3f3g s PRO 209 Cb -0.28 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3f3g s PRO 209 CO 0.04 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.92 3f3g n GLY 210 N -1.39 1.39 3.74 0.56 0.00 -1.26 -5.08 105.19 103.15 3f3g n GLY 210 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3f3g n GLY 210 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f3g s HIS 211 N -2.00 3.83 -0.09 1.61 3.76 -1.26 -4.96 115.29 116.19 3f3g s HIS 211 Ca 0.00 1.70 0.17 0.00 -0.15 0.00 0.00 55.06 56.78 3f3g s HIS 211 Cb 0.00 -2.94 -0.26 0.00 1.11 0.00 0.00 32.58 30.49 3f3g s HIS 211 CO 0.00 0.31 0.40 1.63 -0.85 0.00 0.00 174.74 176.23 3f3g n LYS 212 N 2.43 0.60 -1.46 1.40 5.02 -1.26 -4.97 118.16 119.92 3f3g n LYS 212 Ca -0.01 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3f3g n LYS 212 Cb 0.49 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3f3g n LYS 212 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3f3g n SER 213 N -2.04 0.66 -4.76 4.39 7.64 -1.26 -4.97 113.62 113.27 3f3g n SER 213 Ca -0.03 -0.73 -0.34 0.00 1.01 0.00 0.00 58.87 58.79 3f3g n SER 213 Cb 0.43 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.67 3f3g n SER 213 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3f3g s LEU 214 N 0.00 3.50 -0.62 -3.43 1.02 -1.26 -4.01 118.68 113.87 3f3g s LEU 214 Ca 0.00 2.11 -0.13 0.00 0.02 0.00 0.00 54.13 56.13 3f3g s LEU 214 Cb 0.00 -4.57 0.16 0.00 0.02 0.00 0.00 46.19 41.80 3f3g s LEU 214 CO 0.00 -1.59 0.55 -0.63 0.02 0.00 0.00 176.35 174.70 3f3g s ILE 215 N -2.10 5.05 0.14 -0.59 1.01 0.66 0.21 121.20 125.58 3f3g s ILE 215 Ca 0.70 -1.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.19 3f3g s ILE 215 Cb -0.23 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.03 3f3g s ILE 215 CO 0.37 -0.90 1.66 0.03 0.00 0.00 0.00 174.94 176.10 3f3g h ARG 216 N 8.35 -0.16 -3.40 2.79 2.47 -0.98 -3.44 114.38 120.01 3f3g h ARG 216 Ca -0.14 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.44 3f3g h ARG 216 Cb 1.07 0.04 -0.22 0.00 -1.65 0.00 0.00 29.97 29.20 3f3g h ARG 216 CO 0.90 -0.11 -0.48 0.45 0.56 0.00 0.00 179.97 181.30 3f3g s SER 217 N -5.08 -0.06 -0.10 7.04 0.15 -0.92 -4.88 113.70 109.84 3f3g s SER 217 Ca -0.14 0.00 -0.07 0.00 0.70 0.00 0.00 55.95 56.44 3f3g s SER 217 Cb 0.11 0.27 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 3f3g s SER 217 CO 0.68 -0.28 0.25 -0.51 1.20 0.00 0.00 173.24 174.59 3f3g s ILE 218 N -0.91 -0.02 -0.06 6.45 2.07 -1.26 0.47 121.20 127.93 3f3g s ILE 218 Ca -0.10 0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.14 3f3g s ILE 218 Cb -0.05 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.17 3f3g s ILE 218 CO 0.01 0.04 0.22 -0.94 -1.91 0.00 0.00 174.94 172.36 3f3g s SER 219 N 0.83 -0.19 0.31 4.50 1.04 -1.11 -4.45 113.70 114.63 3f3g s SER 219 Ca -0.06 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 3f3g s SER 219 Cb -0.07 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.37 3f3g s SER 219 CO -0.05 -0.17 0.70 0.86 0.98 0.00 0.00 173.24 175.55 3f3g s TRP 220 N -0.31 3.39 0.01 5.02 -0.11 -1.26 -1.77 118.94 123.90 3f3g s TRP 220 Ca -0.04 1.14 0.01 0.00 1.22 0.00 0.00 56.10 58.43 3f3g s TRP 220 Cb -0.03 -2.48 -0.04 0.00 -1.50 0.00 0.00 33.47 29.43 3f3g s TRP 220 CO 0.01 0.12 0.04 0.00 -4.62 0.00 0.00 176.95 172.50 3f3g s ALA 221 N -1.97 3.43 -0.49 5.86 0.00 -0.05 -4.87 121.76 123.68 3f3g s ALA 221 Ca 0.53 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 51.29 3f3g s ALA 221 Cb -0.10 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 3f3g s ALA 221 CO 0.19 0.68 2.22 -2.14 0.00 0.00 0.00 175.76 176.70 3f3g s PRO 222 N -1.73 2.39 -1.29 0.00 0.02 -1.26 -4.62 135.00 128.51 3f3g s PRO 222 Ca 0.22 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 3f3g s PRO 222 Cb -0.12 -4.50 -0.06 0.00 0.02 0.00 0.00 34.50 29.84 3f3g s PRO 222 CO 0.13 -2.97 2.46 -1.13 -0.33 0.00 0.00 177.00 175.17 3f3g n SER 223 N 14.45 6.06 -4.55 2.53 3.41 -1.26 -4.12 113.62 130.14 3f3g n SER 223 Ca 0.31 -2.55 -0.43 0.00 -0.26 0.00 0.00 58.87 55.94 3f3g n SER 223 Cb 0.53 -1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.06 3f3g n SER 223 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3f3g s ILE 224 N 3.04 4.25 0.00 -1.33 1.01 -1.26 -3.42 121.20 123.49 3f3g s ILE 224 Ca 0.55 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3f3g s ILE 224 Cb 0.15 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 38.01 3f3g s ILE 224 CO -0.04 -1.16 0.00 0.61 0.00 0.00 0.00 174.94 174.35 3f3g n GLY 225 N 5.06 0.72 3.41 6.18 0.00 -1.26 -5.05 105.19 114.25 3f3g n GLY 225 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3f3g n GLY 225 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f3g s ARG 226 N -0.86 1.52 -0.19 1.61 3.03 -1.22 -5.07 118.95 117.77 3f3g s ARG 226 Ca 0.00 -1.79 -0.00 0.00 2.03 0.00 0.00 55.73 55.96 3f3g s ARG 226 Cb 0.00 -0.92 -0.12 0.00 -1.03 0.00 0.00 34.95 32.88 3f3g s ARG 226 CO 0.00 -0.07 -0.18 1.87 -1.13 0.00 0.00 175.30 175.80 3f3g n TRP 227 N -0.57 0.00 -1.87 5.89 -0.00 -1.26 -4.85 117.44 114.78 3f3g n TRP 227 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.04 3f3g n TRP 227 Cb 0.64 -0.72 -0.02 0.00 -0.00 0.00 0.00 31.31 31.22 3f3g n TRP 227 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 3f3g s TYR 228 N -2.37 2.86 0.53 5.87 1.13 -1.26 -4.82 117.35 119.28 3f3g s TYR 228 Ca -0.26 0.88 -0.03 0.00 -1.41 0.00 0.00 57.07 56.25 3f3g s TYR 228 Cb 0.07 -3.97 0.00 0.00 -1.10 0.00 0.00 41.96 36.96 3f3g s TYR 228 CO 0.42 -3.23 0.80 -0.65 -2.51 0.00 0.00 175.55 170.38 3f3g s GLN 229 N -0.44 2.99 -0.02 -3.49 -1.52 0.99 -4.91 119.66 113.25 3f3g s GLN 229 Ca 0.62 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.81 3f3g s GLN 229 Cb -0.45 -2.40 0.03 0.00 -0.22 0.00 0.00 33.01 29.96 3f3g s GLN 229 CO 0.46 -0.51 0.02 -0.51 -0.25 0.00 0.00 175.29 174.50 3f3g s LEU 230 N -4.80 1.20 -0.03 2.90 1.43 -1.26 -1.53 118.68 116.59 3f3g s LEU 230 Ca 0.51 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 3f3g s LEU 230 Cb -0.10 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.03 3f3g s LEU 230 CO 0.42 -0.10 0.02 0.27 0.23 0.00 0.00 176.35 177.19 3f3g s ILE 231 N 0.94 0.07 0.24 -0.59 -4.36 -1.00 -0.88 121.20 115.62 3f3g s ILE 231 Ca -0.08 0.20 -0.02 0.00 -0.26 0.00 0.00 60.65 60.49 3f3g s ILE 231 Cb -0.12 -0.22 -0.04 0.00 1.25 0.00 0.00 42.46 43.33 3f3g s ILE 231 CO -0.02 0.15 0.45 0.00 0.24 0.00 0.00 174.94 175.76 3f3g s ALA 232 N 1.39 3.76 -0.07 2.27 0.00 -0.73 -2.17 121.76 126.21 3f3g s ALA 232 Ca -0.05 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3f3g s ALA 232 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3f3g s ALA 232 CO -0.03 0.34 -0.10 0.99 0.00 0.00 0.00 175.76 176.96 3f3g s THR 233 N -1.97 1.02 -0.36 0.00 2.01 0.41 -2.75 115.64 114.01 3f3g s THR 233 Ca 0.40 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.94 3f3g s THR 233 Cb -0.11 -0.97 0.04 0.00 0.01 0.00 0.00 72.50 71.48 3f3g s THR 233 CO 0.30 0.34 0.14 -0.83 -0.69 0.00 0.00 174.62 173.88 3f3g s GLY 234 N 0.89 1.88 0.21 4.40 0.00 0.18 -1.72 107.32 113.16 3f3g s GLY 234 Ca -0.11 -1.79 0.06 0.00 0.00 0.00 0.00 44.72 42.88 3f3g s GLY 234 CO 0.01 0.81 0.20 0.00 0.00 0.00 0.00 173.10 174.13 3f3g h LYS 236 N 1.80 0.00 0.00 0.00 3.11 -0.47 -0.61 116.57 120.40 3f3g h LYS 236 Ca -0.49 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3f3g h LYS 236 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 3f3g h LYS 236 CO 0.62 0.23 0.00 -0.40 -2.81 0.00 0.00 179.45 177.09 3f3g n ASP 237 N -3.61 0.40 -0.09 4.20 5.68 -1.26 -4.51 116.55 117.35 3f3g n ASP 237 Ca -0.01 0.60 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 3f3g n ASP 237 Cb 0.36 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3f3g n ASP 237 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f3g n GLY 238 N -0.02 1.19 2.79 6.12 0.00 -0.90 -4.85 105.19 109.53 3f3g n GLY 238 Ca 0.03 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 3f3g n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3g s ARG 239 N -1.77 -0.02 0.18 1.61 0.52 -1.26 -4.42 118.95 113.79 3f3g s ARG 239 Ca 0.00 0.19 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 3f3g s ARG 239 Cb 0.00 -0.22 -0.08 0.00 0.52 0.00 0.00 34.95 35.17 3f3g s ARG 239 CO 0.00 -0.16 0.64 0.42 0.02 0.00 0.00 175.30 176.22 3f3g s ILE 240 N 1.00 4.71 -0.03 1.52 1.01 -0.80 -2.99 121.20 125.63 3f3g s ILE 240 Ca -0.08 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.64 3f3g s ILE 240 Cb -0.12 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3f3g s ILE 240 CO -0.03 0.23 -0.04 -0.13 0.00 0.00 0.00 174.94 174.97 3f3g s ARG 241 N -1.95 0.59 -0.16 2.79 0.52 -0.70 -2.26 118.95 117.78 3f3g s ARG 241 Ca 0.40 -0.11 0.01 0.00 -0.52 0.00 0.00 55.73 55.52 3f3g s ARG 241 Cb -0.16 -0.62 0.02 0.00 0.52 0.00 0.00 34.95 34.71 3f3g s ARG 241 CO 0.20 -0.01 -0.20 0.42 0.02 0.00 0.00 175.30 175.73 3f3g s ILE 242 N 0.53 1.96 0.04 1.52 1.01 -1.22 -0.45 121.20 124.60 3f3g s ILE 242 Ca -0.06 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.72 3f3g s ILE 242 Cb -0.10 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 3f3g s ILE 242 CO -0.00 0.53 0.02 -0.36 0.00 0.00 0.00 174.94 175.13 3f3g s PHE 243 N 1.15 3.09 -0.43 3.97 0.40 -0.92 -0.69 117.98 124.54 3f3g s PHE 243 Ca 0.00 0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 3f3g s PHE 243 Cb -0.14 -1.63 0.12 0.00 0.51 0.00 0.00 43.02 41.88 3f3g s PHE 243 CO -0.09 0.48 0.19 0.21 0.70 0.00 0.00 175.22 176.72 3f3g s LYS 244 N -1.94 1.90 -0.40 0.44 2.20 0.60 -2.38 119.74 120.15 3f3g s LYS 244 Ca 0.23 -2.02 -0.20 0.00 -0.36 0.00 0.00 55.97 53.63 3f3g s LYS 244 Cb -0.12 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3f3g s LYS 244 CO 0.15 -1.05 0.61 0.42 -0.36 0.00 0.00 175.35 175.12 3f3g s ILE 245 N 0.76 4.89 -0.01 5.43 1.01 -0.58 -1.83 121.20 130.87 3f3g s ILE 245 Ca 0.11 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 3f3g s ILE 245 Cb -0.22 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 3f3g s ILE 245 CO -0.05 -0.44 0.10 -0.89 0.00 0.00 0.00 174.94 173.65 3f3g s THR 246 N 2.67 4.85 -0.27 2.92 2.01 -0.71 -0.01 115.64 127.12 3f3g s THR 246 Ca 0.22 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3f3g s THR 246 Cb -0.15 -3.22 0.07 0.00 0.01 0.00 0.00 72.50 69.20 3f3g s THR 246 CO 0.17 0.35 -0.08 -1.83 -0.69 0.00 0.00 174.62 172.54 3f3g s GLU 247 N -1.75 2.05 0.01 4.92 -1.05 -1.26 -0.99 118.70 120.63 3f3g s GLU 247 Ca 0.23 -1.37 -0.06 0.00 -0.15 0.00 0.00 54.97 53.63 3f3g s GLU 247 Cb -0.12 -2.88 -0.03 0.00 -0.44 0.00 0.00 34.13 30.65 3f3g s GLU 247 CO 0.14 -0.62 1.06 -0.22 0.95 0.00 0.00 175.26 176.57 3f3g h LYS 248 N 7.78 -0.21 0.00 -4.83 3.64 -1.98 -3.49 116.57 117.48 3f3g h LYS 248 Ca -0.17 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3f3g h LYS 248 Cb 1.04 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3f3g h LYS 248 CO 0.46 -0.14 0.00 0.43 -2.27 0.00 0.00 179.45 177.93 3f3g n SER 290 N -2.60 0.00 -0.10 4.20 7.64 -1.26 -4.92 113.62 116.59 3f3g n SER 290 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3f3g n SER 290 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3f3g n SER 290 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3f3g n ASN 291 N 0.00 0.00 -4.71 6.43 6.94 -1.26 -5.12 115.26 117.54 3f3g n ASN 291 Ca 0.00 -1.07 -0.35 0.00 -0.02 0.00 0.00 54.58 53.14 3f3g n ASN 291 Cb 0.00 -0.01 -0.09 0.00 -2.36 0.00 0.00 39.78 37.32 3f3g n ASN 291 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3f3g s LEU 292 N 0.00 3.79 -0.10 -4.53 1.43 -1.26 -4.53 118.68 113.48 3f3g s LEU 292 Ca 0.00 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3f3g s LEU 292 Cb 0.00 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3f3g s LEU 292 CO 0.00 0.33 -0.07 -1.10 0.23 0.00 0.00 176.35 175.75 3f3g s GLN 293 N -0.60 3.09 -0.20 1.70 -0.21 -0.16 -4.98 119.66 118.29 3f3g s GLN 293 Ca 0.11 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.94 3f3g s GLN 293 Cb -0.12 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.23 3f3g s GLN 293 CO 0.02 0.49 -0.16 0.08 -2.12 0.00 0.00 175.29 173.60 3f3g s VAL 294 N -0.33 2.20 -0.02 1.09 1.01 -1.26 -1.73 120.40 121.36 3f3g s VAL 294 Ca 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3f3g s VAL 294 Cb -0.12 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3f3g s VAL 294 CO 0.02 0.39 -0.05 -1.61 0.00 0.00 0.00 175.10 173.86 3f3g s GLU 295 N 1.26 2.67 -0.40 2.72 2.02 -0.76 -4.95 118.70 121.27 3f3g s GLU 295 Ca 0.02 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 54.22 3f3g s GLU 295 Cb -0.15 -2.58 0.01 0.00 0.10 0.00 0.00 34.13 31.52 3f3g s GLU 295 CO -0.10 0.62 0.29 -1.17 0.02 0.00 0.00 175.26 174.92 3f3g s LEU 296 N -1.32 4.98 -0.02 1.80 2.96 -1.26 -0.29 118.68 125.53 3f3g s LEU 296 Ca 0.17 -0.79 -0.00 0.00 -0.22 0.00 0.00 54.13 53.29 3f3g s LEU 296 Cb -0.11 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 3f3g s LEU 296 CO 0.07 -0.41 -0.00 -0.07 -1.32 0.00 0.00 176.35 174.62 3f3g h LEU 297 N 8.62 0.00 0.00 -0.68 3.38 -1.26 -3.48 115.31 121.88 3f3g h LEU 297 Ca -0.28 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.05 3f3g h LEU 297 Cb 1.13 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.76 3f3g h LEU 297 CO 0.71 0.08 -0.45 -1.20 0.09 0.00 0.00 178.44 177.67 3f3g n SER 298 N -2.45 3.32 -3.55 -0.43 7.64 -1.21 -4.90 113.62 112.03 3f3g n SER 298 Ca -0.00 -3.15 -0.01 0.00 1.01 0.00 0.00 58.87 56.72 3f3g n SER 298 Cb 0.01 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.46 3f3g n SER 298 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3f3g s GLU 299 N -3.84 0.35 -0.03 1.43 2.12 -1.26 -3.37 118.70 114.10 3f3g s GLU 299 Ca 0.03 0.69 -0.00 0.00 0.36 0.00 0.00 54.97 56.05 3f3g s GLU 299 Cb -0.00 0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.64 3f3g s GLU 299 CO 0.02 -0.09 0.02 -1.01 -0.54 0.00 0.00 175.26 173.66 3f3g s HIS 300 N 1.78 0.20 -0.90 5.30 3.76 -0.96 -4.97 115.29 119.50 3f3g s HIS 300 Ca -0.07 0.08 0.23 0.00 -0.15 0.00 0.00 55.06 55.15 3f3g s HIS 300 Cb -0.05 -0.39 0.11 0.00 1.11 0.00 0.00 32.58 33.37 3f3g s HIS 300 CO -0.16 -0.14 1.12 -0.40 -0.85 0.00 0.00 174.74 174.31 3f3g n ASP 301 N 4.42 0.71 -0.04 1.40 5.75 -1.26 -1.90 116.55 125.63 3f3g n ASP 301 Ca -0.22 -0.53 0.08 0.00 -0.01 0.00 0.00 54.79 54.11 3f3g n ASP 301 Cb 0.50 0.68 0.12 0.00 -1.03 0.00 0.00 41.12 41.39 3f3g n ASP 301 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3f3g n ASP 302 N -1.61 0.00 0.12 -1.12 9.92 -1.26 -0.54 116.55 122.06 3f3g n ASP 302 Ca 0.04 0.24 0.12 0.00 -0.53 0.00 0.00 54.79 54.66 3f3g n ASP 302 Cb 0.36 -0.07 0.20 0.00 -0.64 0.00 0.00 41.12 40.97 3f3g n ASP 302 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3f3g h HIS 303 N 0.00 0.00 -0.20 1.24 3.86 -1.82 -3.48 115.15 114.75 3f3g h HIS 303 Ca 0.13 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3f3g h HIS 303 Cb 0.92 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 3f3g h HIS 303 CO 0.00 0.00 -0.04 0.09 0.86 0.00 0.00 177.93 178.84 3f3g n ASN 304 N -2.48 -4.29 0.00 2.45 3.02 0.30 -4.07 115.26 110.19 3f3g n ASN 304 Ca 0.03 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3f3g n ASN 304 Cb 0.48 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.82 3f3g n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f3g n GLY 305 N 0.57 2.21 2.96 7.41 0.00 -1.26 -4.91 105.19 112.17 3f3g n GLY 305 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3f3g n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f3g s GLU 306 N 1.20 0.12 -0.45 1.61 2.02 -1.26 -3.25 118.70 118.68 3f3g s GLU 306 Ca 0.00 0.30 -0.26 0.00 0.02 0.00 0.00 54.97 55.03 3f3g s GLU 306 Cb 0.00 -0.08 0.03 0.00 0.10 0.00 0.00 34.13 34.18 3f3g s GLU 306 CO 0.00 -0.11 0.94 0.08 0.02 0.00 0.00 175.26 176.19 3f3g s VAL 307 N 0.73 4.46 -0.20 2.63 1.01 -0.29 -2.44 120.40 126.31 3f3g s VAL 307 Ca -0.05 0.82 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 3f3g s VAL 307 Cb -0.07 -4.44 -0.20 0.00 0.00 0.00 0.00 36.38 31.67 3f3g s VAL 307 CO -0.04 -0.82 0.18 0.79 0.00 0.00 0.00 175.10 175.22 3f3g n TRP 308 N 7.18 0.96 -4.13 5.22 7.02 0.10 -3.61 117.44 130.18 3f3g n TRP 308 Ca 0.07 0.37 -0.27 0.00 -1.02 0.00 0.00 57.50 56.64 3f3g n TRP 308 Cb 0.48 -1.10 -0.17 0.00 -2.42 0.00 0.00 31.31 28.11 3f3g n TRP 308 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3f3g s SER 309 N -6.94 2.27 -0.16 -0.99 0.15 -0.99 -3.62 113.70 103.43 3f3g s SER 309 Ca -0.29 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.02 3f3g s SER 309 Cb 0.07 -0.96 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3f3g s SER 309 CO 0.61 -0.06 -0.21 0.54 1.20 0.00 0.00 173.24 175.33 3f3g s VAL 310 N 1.37 2.05 0.06 4.45 0.11 -1.26 -0.98 120.40 126.21 3f3g s VAL 310 Ca -0.00 -0.95 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 3f3g s VAL 310 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.85 3f3g s VAL 310 CO -0.06 0.54 -0.11 -0.55 -3.33 0.00 0.00 175.10 171.59 3f3g s SER 311 N 1.06 1.34 0.27 3.54 0.15 -0.37 -4.57 113.70 115.11 3f3g s SER 311 Ca -0.01 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.09 3f3g s SER 311 Cb -0.14 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 3f3g s SER 311 CO -0.08 -0.15 0.29 0.26 1.20 0.00 0.00 173.24 174.77 3f3g s TRP 312 N -1.44 3.19 0.98 3.44 0.52 -1.26 0.14 118.94 124.50 3f3g s TRP 312 Ca -0.04 -0.12 -0.14 0.00 0.02 0.00 0.00 56.10 55.81 3f3g s TRP 312 Cb -0.09 -1.57 0.18 0.00 -1.15 0.00 0.00 33.47 30.83 3f3g s TRP 312 CO 0.01 0.39 1.16 1.21 0.02 0.00 0.00 176.95 179.74 3f3g s ASN 313 N -3.94 2.91 0.00 2.95 3.84 -0.30 -4.94 114.94 115.45 3f3g s ASN 313 Ca 0.36 0.81 0.29 0.00 0.21 0.00 0.00 52.86 54.52 3f3g s ASN 313 Cb -0.08 -1.24 1.24 0.00 -0.55 0.00 0.00 41.25 40.62 3f3g s ASN 313 CO 0.27 -2.91 1.91 0.00 -2.79 0.00 0.00 177.10 173.58 3f3g n LEU 314 N -3.98 0.07 -0.01 3.21 -0.00 -1.26 -3.17 117.00 111.87 3f3g n LEU 314 Ca 0.09 0.37 0.00 0.00 -0.00 0.00 0.00 56.01 56.48 3f3g n LEU 314 Cb 0.59 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 3f3g n LEU 314 CO 0.53 0.02 0.44 0.35 -0.00 0.00 0.00 177.39 178.73 3f3g n THR 315 N -1.41 0.79 -3.49 1.47 -2.24 -1.26 -4.88 114.28 103.25 3f3g n THR 315 Ca 0.09 -0.80 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 3f3g n THR 315 Cb 0.31 0.59 0.07 0.00 -2.10 0.00 0.00 70.33 69.20 3f3g n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f3g n GLY 316 N -0.41 -0.51 0.03 3.38 0.00 -1.19 -4.58 105.19 101.92 3f3g n GLY 316 Ca 0.00 0.21 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 3f3g n GLY 316 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3f3g n THR 317 N -4.02 0.40 -4.29 2.61 -1.04 -1.26 -4.92 114.28 101.76 3f3g n THR 317 Ca -0.25 -0.21 -0.24 0.00 -2.04 0.00 0.00 64.05 61.32 3f3g n THR 317 Cb 0.66 -0.81 -0.12 0.00 -1.82 0.00 0.00 70.33 68.23 3f3g n THR 317 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3f3g s ILE 318 N -2.14 1.67 -0.03 12.58 1.01 -1.26 -4.36 121.20 128.67 3f3g s ILE 318 Ca -0.05 -1.52 0.03 0.00 0.00 0.00 0.00 60.65 59.11 3f3g s ILE 318 Cb 0.02 -1.52 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 3f3g s ILE 318 CO 0.21 -0.06 -0.12 -0.22 0.00 0.00 0.00 174.94 174.75 3f3g s LEU 319 N -1.88 1.86 0.02 2.97 2.96 -0.52 -1.15 118.68 122.94 3f3g s LEU 319 Ca 0.06 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3f3g s LEU 319 Cb -0.10 -0.68 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 3f3g s LEU 319 CO 0.04 0.10 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.10 3f3g s SER 320 N 0.07 4.16 -0.06 3.68 1.04 0.12 0.13 113.70 122.83 3f3g s SER 320 Ca -0.02 -0.29 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 3f3g s SER 320 Cb -0.09 -0.83 0.03 0.00 0.10 0.00 0.00 66.02 65.23 3f3g s SER 320 CO 0.01 0.28 0.01 -0.94 0.98 0.00 0.00 173.24 173.57 3f3g s SER 321 N -1.35 1.39 0.00 7.02 1.04 0.91 -1.24 113.70 121.48 3f3g s SER 321 Ca 0.15 -0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.60 3f3g s SER 321 Cb -0.11 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3f3g s SER 321 CO 0.06 -0.18 -0.24 0.00 0.98 0.00 0.00 173.24 173.85 3f3g s ALA 322 N 1.85 2.00 0.00 5.32 0.00 -0.15 -1.30 121.76 129.48 3f3g s ALA 322 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3f3g s ALA 322 Cb -0.12 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3f3g s ALA 322 CO -0.04 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.61 3f3g n GLY 323 N 2.26 3.35 0.37 0.00 0.00 -1.22 0.02 105.19 109.97 3f3g n GLY 323 Ca -0.16 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3f3g n GLY 323 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3f3g h ASP 324 N 0.00 0.73 0.00 1.61 3.32 -1.78 -1.20 116.42 119.10 3f3g h ASP 324 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3f3g h ASP 324 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3f3g h ASP 324 CO 0.00 0.33 0.00 -0.90 -1.72 0.00 0.00 179.24 176.95 3f3g n ASP 325 N -4.64 0.19 -1.53 6.45 5.75 -1.26 -4.76 116.55 116.75 3f3g n ASP 325 Ca 0.20 -0.57 -0.05 0.00 -0.01 0.00 0.00 54.79 54.36 3f3g n ASP 325 Cb 0.51 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 3f3g n ASP 325 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f3g n GLY 326 N 0.16 0.21 3.50 6.12 0.00 -0.45 -4.88 105.19 109.85 3f3g n GLY 326 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3f3g n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f3g s LYS 327 N -3.18 1.82 -0.23 1.61 1.02 -1.26 -3.65 119.74 115.88 3f3g s LYS 327 Ca 0.00 -1.30 0.02 0.00 0.02 0.00 0.00 55.97 54.70 3f3g s LYS 327 Cb 0.00 -2.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.30 3f3g s LYS 327 CO 0.00 0.44 -0.12 0.08 -0.92 0.00 0.00 175.35 174.83 3f3g s VAL 328 N -1.50 1.94 -0.05 3.17 1.01 -0.40 -3.37 120.40 121.20 3f3g s VAL 328 Ca 0.21 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3f3g s VAL 328 Cb -0.09 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3f3g s VAL 328 CO 0.12 0.12 0.15 -0.13 0.00 0.00 0.00 175.10 175.36 3f3g s ARG 329 N 1.25 3.38 -0.05 2.72 0.52 -0.42 -1.07 118.95 125.28 3f3g s ARG 329 Ca -0.04 -0.27 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 3f3g s ARG 329 Cb -0.18 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 3f3g s ARG 329 CO -0.07 0.71 -0.15 -0.51 0.02 0.00 0.00 175.30 175.29 3f3g s LEU 330 N -1.56 2.66 0.07 2.53 1.43 -0.93 -0.06 118.68 122.82 3f3g s LEU 330 Ca 0.22 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3f3g s LEU 330 Cb -0.12 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 3f3g s LEU 330 CO 0.12 0.34 -0.24 0.26 0.23 0.00 0.00 176.35 177.06 3f3g s TRP 331 N -0.67 2.07 0.26 0.29 0.52 0.34 -1.32 118.94 120.43 3f3g s TRP 331 Ca 0.10 -0.39 0.10 0.00 0.02 0.00 0.00 56.10 55.93 3f3g s TRP 331 Cb -0.11 -1.20 -0.05 0.00 -1.15 0.00 0.00 33.47 30.96 3f3g s TRP 331 CO 0.01 0.16 -0.16 0.21 0.02 0.00 0.00 176.95 177.19 3f3g s LYS 332 N -1.45 1.56 0.13 4.98 2.47 -0.71 -1.43 119.74 125.28 3f3g s LYS 332 Ca 0.10 -1.72 -0.04 0.00 -1.56 0.00 0.00 55.97 52.74 3f3g s LYS 332 Cb -0.10 -1.48 -0.05 0.00 -1.46 0.00 0.00 37.83 34.74 3f3g s LYS 332 CO 0.03 0.23 0.35 0.00 0.16 0.00 0.00 175.35 176.13 3f3g s ALA 333 N -2.73 3.82 0.59 3.13 0.00 -1.26 -1.94 121.76 123.37 3f3g s ALA 333 Ca 0.28 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 3f3g s ALA 333 Cb -0.02 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 21.05 3f3g s ALA 333 CO 0.12 0.69 0.83 0.99 0.00 0.00 0.00 175.76 178.39 3f3g s THR 334 N -1.63 2.57 0.38 0.00 2.01 -0.06 -4.91 115.64 114.00 3f3g s THR 334 Ca 0.40 -0.58 0.24 0.00 0.31 0.00 0.00 61.69 62.06 3f3g s THR 334 Cb -0.12 -2.98 0.25 0.00 0.01 0.00 0.00 72.50 69.65 3f3g s THR 334 CO 0.25 0.00 2.00 0.22 -0.69 0.00 0.00 174.62 176.40 3f3g h TYR 335 N -0.09 0.00 -0.00 4.92 3.20 -2.00 0.14 116.97 123.15 3f3g h TYR 335 Ca -0.42 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3f3g h TYR 335 Cb 1.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3f3g h TYR 335 CO 0.34 0.17 -0.31 -1.13 -1.64 0.00 0.00 178.16 175.59 3f3g n SER 336 N -3.72 0.43 -0.72 -2.11 3.41 -1.26 -4.94 113.62 104.71 3f3g n SER 336 Ca -0.02 -0.18 -0.06 0.00 -0.26 0.00 0.00 58.87 58.35 3f3g n SER 336 Cb 0.28 0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3f3g n SER 336 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3f3g n ASN 337 N -1.35 -2.57 -4.93 4.04 5.15 0.50 -5.05 115.26 111.05 3f3g n ASN 337 Ca 0.08 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.80 3f3g n ASN 337 Cb 0.33 -1.86 -0.03 0.00 -0.53 0.00 0.00 39.78 37.70 3f3g n ASN 337 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3f3g s GLU 338 N -4.24 3.52 -0.14 1.20 2.56 -1.26 -4.74 118.70 115.59 3f3g s GLU 338 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.97 54.58 3f3g s GLU 338 Cb 0.00 -2.78 -0.04 0.00 2.00 0.00 0.00 34.13 33.31 3f3g s GLU 338 CO 0.00 0.33 0.04 -0.06 -0.56 0.00 0.00 175.26 175.01 3f3g s PHE 339 N -2.00 3.24 -0.05 5.30 0.40 -1.26 -0.88 117.98 122.73 3f3g s PHE 339 Ca 0.39 0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 3f3g s PHE 339 Cb -0.10 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 3f3g s PHE 339 CO 0.31 0.30 -0.20 0.21 0.70 0.00 0.00 175.22 176.53 3f3g s LYS 340 N -0.16 2.10 0.16 0.44 2.20 -0.82 -4.97 119.74 118.69 3f3g s LYS 340 Ca 0.06 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 3f3g s LYS 340 Cb -0.12 -1.80 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 3f3g s LYS 340 CO 0.01 0.30 1.20 0.00 -0.36 0.00 0.00 175.35 176.50 3f3g n MET 342 N 2.81 0.69 -3.70 0.00 0.00 -0.43 -4.92 117.12 111.57 3f3g n MET 342 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 57.70 57.65 3f3g n MET 342 Cb 0.45 -1.52 -0.04 0.00 0.00 0.00 0.00 33.22 32.11 3f3g n MET 342 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3f3g s SER 343 N -5.49 -0.27 -0.05 3.17 1.04 -1.24 -5.04 113.70 105.81 3f3g s SER 343 Ca -0.10 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 3f3g s SER 343 Cb 0.06 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.78 3f3g s SER 343 CO 0.83 -1.01 0.10 -0.69 0.98 0.00 0.00 173.24 173.45 3f3g s VAL 344 N -3.85 -0.12 0.21 5.02 1.01 -1.26 -2.19 120.40 119.22 3f3g s VAL 344 Ca 0.08 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.40 3f3g s VAL 344 Cb -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.14 3f3g s VAL 344 CO -0.05 0.12 0.20 -0.63 0.00 0.00 0.00 175.10 174.73 3f3g s ILE 345 N 1.64 4.60 0.00 2.22 1.01 -0.23 -4.94 121.20 125.49 3f3g s ILE 345 Ca -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.42 3f3g s ILE 345 Cb -0.12 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 38.92 3f3g s ILE 345 CO -0.05 -0.24 0.00 1.07 0.00 0.00 0.00 174.94 175.72 3f3g n THR 346 N -0.86 0.00 -0.67 2.92 5.66 -1.26 -1.27 114.28 118.79 3f3g n THR 346 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3f3g n THR 346 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3f3g n THR 346 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02