#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffk n GLU 28 N 0.00 0.29 -4.26 7.34 2.13 -1.26 -4.92 120.64 119.96 3ffk n GLU 28 Ca 0.00 -0.41 -0.31 0.00 0.66 0.00 0.00 57.16 57.11 3ffk n GLU 28 Cb 0.00 -2.35 -0.09 0.00 0.27 0.00 0.00 31.44 29.27 3ffk n GLU 28 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3ffk s HIS 29 N 7.56 2.89 0.12 4.31 5.65 -1.26 -5.02 115.29 129.54 3ffk s HIS 29 Ca 1.13 -0.07 -0.11 0.00 0.25 0.00 0.00 55.06 56.26 3ffk s HIS 29 Cb -0.50 -1.53 0.09 0.00 -1.18 0.00 0.00 32.58 29.46 3ffk s HIS 29 CO 0.33 0.43 0.84 -2.30 -0.65 0.00 0.00 174.74 173.39 3ffk n PRO 30 N 0.93 -0.15 0.06 2.88 -0.02 -1.26 -0.93 135.00 136.50 3ffk n PRO 30 Ca -0.13 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 3ffk n PRO 30 Cb 0.52 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.64 3ffk n PRO 30 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ffk h GLU 31 N 0.00 0.02 -0.89 -0.52 4.39 -1.97 -3.30 114.58 112.32 3ffk h GLU 31 Ca 0.17 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.95 3ffk h GLU 31 Cb 0.30 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 3ffk h GLU 31 CO -0.53 0.98 0.57 0.74 -1.16 0.00 0.00 179.01 179.61 3ffk h PHE 32 N 0.01 0.86 -0.63 4.33 -1.00 -1.37 -1.84 116.94 117.29 3ffk h PHE 32 Ca -0.04 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.77 3ffk h PHE 32 Cb 1.80 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 41.06 3ffk h PHE 32 CO 0.01 0.34 0.42 -0.07 -1.61 0.00 0.00 178.31 177.40 3ffk h LEU 33 N 0.75 0.73 -0.96 1.54 3.38 -1.53 -2.79 115.31 116.43 3ffk h LEU 33 Ca 0.43 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3ffk h LEU 33 Cb 0.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ffk h LEU 33 CO -0.20 0.53 -0.26 0.11 0.09 0.00 0.00 178.44 178.71 3ffk h LYS 34 N 0.86 0.46 -6.62 1.13 1.79 -1.50 -3.45 116.57 109.22 3ffk h LYS 34 Ca 0.23 -0.17 -0.68 0.00 -2.18 0.00 0.00 60.65 57.85 3ffk h LYS 34 Cb -0.10 -0.03 -0.19 0.00 -1.58 0.00 0.00 32.23 30.34 3ffk h LYS 34 CO -0.05 0.68 -0.78 0.00 -1.08 0.00 0.00 179.45 178.21 3ffk s ALA 35 N -4.49 2.73 -0.39 3.86 0.00 -1.05 -3.72 121.76 118.71 3ffk s ALA 35 Ca -0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.62 3ffk s ALA 35 Cb 0.14 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 22.61 3ffk s ALA 35 CO 0.79 0.60 0.17 0.20 0.00 0.00 0.00 175.76 177.51 3ffk s GLY 36 N -1.91 1.98 0.08 0.00 0.00 -1.26 -4.87 107.32 101.33 3ffk s GLY 36 Ca 0.18 -2.54 -0.03 0.00 0.00 0.00 0.00 44.72 42.33 3ffk s GLY 36 CO 0.09 1.01 1.15 0.50 0.00 0.00 0.00 173.10 175.85 3ffk h LYS 37 N 7.94 0.23 -4.33 2.90 1.57 -1.90 -3.47 116.57 119.52 3ffk h LYS 37 Ca -0.11 -0.39 -0.17 0.00 -1.87 0.00 0.00 60.65 58.11 3ffk h LYS 37 Cb 1.04 0.15 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 3ffk h LYS 37 CO 0.66 1.18 -0.60 -1.83 -0.57 0.00 0.00 179.45 178.29 3ffk s GLU 38 N -2.66 0.95 0.15 3.15 -1.05 -1.26 -5.12 118.70 112.86 3ffk s GLU 38 Ca -0.03 -1.38 -0.33 0.00 -0.15 0.00 0.00 54.97 53.07 3ffk s GLU 38 Cb 0.07 0.26 -0.13 0.00 -0.44 0.00 0.00 34.13 33.90 3ffk s GLU 38 CO 0.87 -0.28 1.68 -2.30 0.95 0.00 0.00 175.26 176.18 3ffk n PRO 39 N -0.10 2.42 -3.68 -4.83 -0.02 -1.26 -4.76 135.00 122.78 3ffk n PRO 39 Ca -0.06 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3ffk n PRO 39 Cb 0.63 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3ffk n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ffk n GLY 40 N 3.76 -1.30 3.40 -1.23 0.00 -0.89 -4.97 105.19 103.95 3ffk n GLY 40 Ca 0.17 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 3ffk n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ffk s LEU 41 N 0.00 2.71 -0.06 0.99 2.96 -1.26 -1.99 118.68 122.02 3ffk s LEU 41 Ca 0.00 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3ffk s LEU 41 Cb 0.00 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.12 3ffk s LEU 41 CO 0.00 0.22 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.07 3ffk s GLN 42 N 0.02 1.30 -0.04 1.98 -0.21 -1.00 -5.04 119.66 116.68 3ffk s GLN 42 Ca -0.04 -0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.12 3ffk s GLN 42 Cb -0.14 -1.19 -0.00 0.00 1.00 0.00 0.00 33.01 32.67 3ffk s GLN 42 CO 0.04 -0.07 -0.16 0.42 -2.12 0.00 0.00 175.29 173.40 3ffk s ILE 43 N 0.95 1.35 0.10 1.08 1.01 -1.26 -1.51 121.20 122.93 3ffk s ILE 43 Ca -0.10 -0.67 0.10 0.00 0.00 0.00 0.00 60.65 59.98 3ffk s ILE 43 Cb -0.15 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3ffk s ILE 43 CO 0.00 0.39 -0.24 0.26 0.00 0.00 0.00 174.94 175.35 3ffk s TRP 44 N 0.09 2.09 -0.12 3.97 0.51 -0.40 -0.70 118.94 124.39 3ffk s TRP 44 Ca -0.05 -0.40 -0.01 0.00 -2.12 0.00 0.00 56.10 53.53 3ffk s TRP 44 Cb -0.11 -1.16 -0.02 0.00 -0.81 0.00 0.00 33.47 31.36 3ffk s TRP 44 CO 0.02 0.25 -0.08 0.50 -0.51 0.00 0.00 176.95 177.13 3ffk s ARG 45 N -1.84 3.25 0.04 4.98 3.52 0.93 -0.66 118.95 129.18 3ffk s ARG 45 Ca 0.11 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.81 3ffk s ARG 45 Cb -0.10 -2.70 -0.07 0.00 -1.56 0.00 0.00 34.95 30.52 3ffk s ARG 45 CO 0.05 0.38 1.50 0.08 -0.81 0.00 0.00 175.30 176.49 3ffk s VAL 46 N -0.04 3.38 -0.11 7.11 1.01 -0.94 -1.36 120.40 129.45 3ffk s VAL 46 Ca -0.01 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 3ffk s VAL 46 Cb -0.14 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.76 3ffk s VAL 46 CO 0.03 0.01 0.07 -1.61 0.00 0.00 0.00 175.10 173.60 3ffk s GLU 47 N 2.29 0.09 -1.42 2.72 2.02 -0.59 -4.67 118.70 119.13 3ffk s GLU 47 Ca 0.68 0.10 -0.07 0.00 0.02 0.00 0.00 54.97 55.70 3ffk s GLU 47 Cb -0.36 -1.23 0.01 0.00 0.10 0.00 0.00 34.13 32.65 3ffk s GLU 47 CO 0.29 -0.50 0.29 1.63 0.02 0.00 0.00 175.26 177.00 3ffk n LYS 48 N 5.26 -1.56 -1.06 1.61 4.76 -1.26 -0.87 118.16 125.04 3ffk n LYS 48 Ca -0.05 0.21 -0.02 0.00 -2.87 0.00 0.00 58.31 55.57 3ffk n LYS 48 Cb 0.49 -3.73 -0.01 0.00 -1.84 0.00 0.00 35.03 29.94 3ffk n LYS 48 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3ffk n PHE 49 N -4.58 0.00 -4.49 2.13 3.01 -1.26 -4.97 117.46 107.30 3ffk n PHE 49 Ca -0.27 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.93 3ffk n PHE 49 Cb 0.67 -0.85 -0.10 0.00 -0.01 0.00 0.00 39.48 39.19 3ffk n PHE 49 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3ffk s ASP 50 N -2.34 3.89 -0.45 4.37 2.15 -0.05 -5.11 116.67 119.13 3ffk s ASP 50 Ca 0.00 -1.17 -0.10 0.00 0.43 0.00 0.00 52.55 51.71 3ffk s ASP 50 Cb 0.00 -0.41 0.10 0.00 -0.30 0.00 0.00 42.92 42.31 3ffk s ASP 50 CO 0.00 -0.26 0.32 -0.22 -0.17 0.00 0.00 175.17 174.84 3ffk s LEU 51 N -3.66 5.48 -0.25 -1.34 0.20 -1.26 -1.55 118.68 116.30 3ffk s LEU 51 Ca 0.34 -1.69 -0.03 0.00 0.69 0.00 0.00 54.13 53.43 3ffk s LEU 51 Cb 0.03 -2.02 0.01 0.00 -0.43 0.00 0.00 46.19 43.78 3ffk s LEU 51 CO 0.18 -0.63 -0.03 -0.69 -0.29 0.00 0.00 176.35 174.89 3ffk s VAL 52 N 1.42 3.27 0.37 1.68 1.01 -0.47 -4.82 120.40 122.85 3ffk s VAL 52 Ca 0.04 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 3ffk s VAL 52 Cb -0.25 -2.60 -0.11 0.00 0.00 0.00 0.00 36.38 33.42 3ffk s VAL 52 CO 0.01 0.26 1.46 -2.16 0.00 0.00 0.00 175.10 174.67 3ffk s PRO 53 N 1.42 4.15 -0.16 2.72 0.04 -1.26 -0.05 135.00 141.86 3ffk s PRO 53 Ca 0.03 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 3ffk s PRO 53 Cb -0.16 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3ffk s PRO 53 CO -0.03 -0.48 1.13 0.08 0.04 0.00 0.00 177.00 177.75 3ffk s VAL 54 N -1.11 4.50 0.10 -0.36 1.01 0.12 -4.75 120.40 119.92 3ffk s VAL 54 Ca 0.52 1.80 -0.34 0.00 0.00 0.00 0.00 61.98 63.96 3ffk s VAL 54 Cb -0.45 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 31.58 3ffk s VAL 54 CO 0.61 -0.10 0.85 -2.65 0.00 0.00 0.00 175.10 173.81 3ffk n PRO 55 N 5.96 0.11 0.17 2.72 -0.02 -1.26 -4.80 135.00 137.88 3ffk n PRO 55 Ca 0.12 0.04 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 3ffk n PRO 55 Cb 0.46 -1.33 0.51 0.00 -0.02 0.00 0.00 33.50 33.13 3ffk n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ffk h THR 56 N 2.12 1.09 -0.00 3.45 1.03 -1.96 -1.27 112.91 117.37 3ffk h THR 56 Ca -0.41 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 3ffk h THR 56 Cb 1.43 1.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 3ffk h THR 56 CO 0.62 0.11 -0.15 -0.46 -0.01 0.00 0.00 175.52 175.63 3ffk n ASN 57 N -4.42 0.16 -0.62 0.00 0.23 -1.26 -3.70 115.26 105.64 3ffk n ASN 57 Ca -0.01 0.24 0.13 0.00 -0.53 0.00 0.00 54.58 54.40 3ffk n ASN 57 Cb 0.15 -0.26 0.40 0.00 -2.08 0.00 0.00 39.78 37.99 3ffk n ASN 57 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3ffk n LEU 58 N -1.48 1.91 -4.57 -4.53 7.94 -0.48 -4.94 117.00 110.85 3ffk n LEU 58 Ca 0.07 -0.70 -0.46 0.00 -1.11 0.00 0.00 56.01 53.81 3ffk n LEU 58 Cb 0.34 -0.04 -0.04 0.00 0.53 0.00 0.00 43.42 44.20 3ffk n LEU 58 CO 0.29 0.35 1.77 -1.22 -1.11 0.00 0.00 177.39 177.47 3ffk n TYR 59 N 0.49 1.95 0.00 1.96 4.02 -1.24 -2.08 117.16 122.25 3ffk n TYR 59 Ca 0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.05 3ffk n TYR 59 Cb 0.40 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.06 3ffk n TYR 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ffk n GLY 60 N 5.72 0.89 3.66 2.72 0.00 -1.26 -5.05 105.19 111.87 3ffk n GLY 60 Ca 0.31 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 3ffk n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ffk s ASP 61 N -0.81 6.90 -0.10 1.61 1.11 -0.88 -2.57 116.67 121.93 3ffk s ASP 61 Ca 0.00 1.11 0.02 0.00 0.18 0.00 0.00 52.55 53.86 3ffk s ASP 61 Cb 0.00 -2.44 0.01 0.00 1.07 0.00 0.00 42.92 41.56 3ffk s ASP 61 CO 0.00 -0.42 -0.16 -0.36 1.18 0.00 0.00 175.17 175.40 3ffk s PHE 62 N 2.33 1.97 -0.18 4.23 0.40 -0.94 -5.02 117.98 120.78 3ffk s PHE 62 Ca 0.37 -0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 55.54 3ffk s PHE 62 Cb -0.16 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.96 3ffk s PHE 62 CO 0.11 -0.42 1.16 -0.06 0.70 0.00 0.00 175.22 176.70 3ffk s PHE 63 N 0.79 3.10 -0.35 0.36 0.40 -1.26 -1.18 117.98 119.85 3ffk s PHE 63 Ca -0.11 1.24 0.25 0.00 -0.60 0.00 0.00 56.93 57.70 3ffk s PHE 63 Cb -0.16 -3.39 1.09 0.00 0.51 0.00 0.00 43.02 41.07 3ffk s PHE 63 CO 0.02 -1.12 1.74 1.79 0.70 0.00 0.00 175.22 178.35 3ffk h THR 64 N 5.41 0.00 -0.39 0.64 1.35 -1.42 -0.08 112.91 118.42 3ffk h THR 64 Ca -0.25 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3ffk h THR 64 Cb 1.09 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3ffk h THR 64 CO 0.96 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.84 3ffk n GLY 65 N -0.29 0.81 3.34 5.82 0.00 -0.77 -0.08 105.19 114.02 3ffk n GLY 65 Ca 0.01 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.43 3ffk n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ffk s ASP 66 N -1.01 1.91 0.15 1.61 -0.00 -0.04 -4.02 116.67 115.26 3ffk s ASP 66 Ca 0.26 -1.22 0.09 0.00 -0.00 0.00 0.00 52.55 51.67 3ffk s ASP 66 Cb 0.14 -0.00 -0.04 0.00 -0.00 0.00 0.00 42.92 43.01 3ffk s ASP 66 CO 0.18 -0.50 -0.11 0.00 -0.00 0.00 0.00 175.17 174.73 3ffk s ALA 67 N -3.39 2.90 0.12 5.23 0.00 -1.26 -2.42 121.76 122.94 3ffk s ALA 67 Ca 0.29 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3ffk s ALA 67 Cb 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 3ffk s ALA 67 CO 0.09 0.52 -0.02 0.71 0.00 0.00 0.00 175.76 177.06 3ffk s TYR 68 N -1.51 0.94 -0.09 0.00 1.51 -0.71 -2.22 117.35 115.27 3ffk s TYR 68 Ca 0.23 -1.01 0.00 0.00 -1.01 0.00 0.00 57.07 55.28 3ffk s TYR 68 Cb -0.10 -0.55 0.02 0.00 -0.11 0.00 0.00 41.96 41.23 3ffk s TYR 68 CO 0.14 -0.25 -0.08 0.08 -1.11 0.00 0.00 175.55 174.33 3ffk s VAL 69 N -3.73 0.94 -0.19 0.71 1.01 0.17 -2.10 120.40 117.19 3ffk s VAL 69 Ca 0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.86 3ffk s VAL 69 Cb 0.06 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3ffk s VAL 69 CO -0.02 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3ffk s ILE 70 N 1.32 2.40 -0.29 2.22 1.09 0.21 -1.27 121.20 126.87 3ffk s ILE 70 Ca -0.03 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.64 3ffk s ILE 70 Cb -0.14 -2.04 0.03 0.00 -1.06 0.00 0.00 42.46 39.25 3ffk s ILE 70 CO -0.03 0.49 0.02 -0.22 -0.10 0.00 0.00 174.94 175.11 3ffk s LEU 71 N 1.33 3.78 -0.20 2.97 2.96 -0.57 0.22 118.68 129.17 3ffk s LEU 71 Ca 0.05 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.84 3ffk s LEU 71 Cb -0.13 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3ffk s LEU 71 CO -0.10 -0.22 0.23 -0.75 -1.32 0.00 0.00 176.35 174.19 3ffk s LYS 72 N 1.37 4.17 -0.32 1.98 2.47 -0.64 -2.36 119.74 126.41 3ffk s LYS 72 Ca -0.01 -0.08 0.01 0.00 -1.56 0.00 0.00 55.97 54.33 3ffk s LYS 72 Cb -0.18 -3.48 0.07 0.00 -1.46 0.00 0.00 37.83 32.79 3ffk s LYS 72 CO -0.00 0.15 0.02 0.99 0.16 0.00 0.00 175.35 176.67 3ffk s THR 73 N 0.76 2.68 -0.12 3.43 2.01 -0.84 -1.72 115.64 121.83 3ffk s THR 73 Ca 0.12 -1.79 -0.09 0.00 0.31 0.00 0.00 61.69 60.23 3ffk s THR 73 Cb -0.13 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3ffk s THR 73 CO 0.03 -0.31 0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 3ffk s VAL 74 N 1.11 5.41 -0.19 3.82 1.01 -0.85 -2.09 120.40 128.62 3ffk s VAL 74 Ca 0.00 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 3ffk s VAL 74 Cb -0.20 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3ffk s VAL 74 CO -0.04 0.56 0.45 -1.58 0.00 0.00 0.00 175.10 174.50 3ffk s GLN 75 N -0.67 4.21 0.64 2.72 0.74 -1.26 -1.43 119.66 124.61 3ffk s GLN 75 Ca 0.15 0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.87 3ffk s GLN 75 Cb -0.13 -3.53 0.07 0.00 1.10 0.00 0.00 33.01 30.53 3ffk s GLN 75 CO 0.04 -0.05 0.89 -0.51 -0.55 0.00 0.00 175.29 175.12 3ffk s LEU 76 N 1.32 3.09 -0.15 3.68 1.02 -1.02 -4.99 118.68 121.63 3ffk s LEU 76 Ca 0.22 -0.10 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 3ffk s LEU 76 Cb -0.15 -2.54 0.07 0.00 0.02 0.00 0.00 46.19 43.59 3ffk s LEU 76 CO 0.09 -1.50 0.29 0.00 0.02 0.00 0.00 176.35 175.25 3ffk s ARG 77 N -4.98 0.19 0.00 1.70 3.03 -1.26 -2.58 118.95 115.05 3ffk s ARG 77 Ca 0.61 0.75 0.00 0.00 2.03 0.00 0.00 55.73 59.13 3ffk s ARG 77 Cb -0.08 -0.07 0.00 0.00 -1.03 0.00 0.00 34.95 33.77 3ffk s ARG 77 CO 0.42 -0.32 0.00 0.27 -1.13 0.00 0.00 175.30 174.54 3ffk n ASN 78 N 5.36 0.00 0.00 -2.89 0.23 -1.26 -5.05 115.26 111.65 3ffk n ASN 78 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 3ffk n ASN 78 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3ffk n ASN 78 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ffk n GLY 79 N -0.33 1.32 3.58 4.83 0.00 -1.06 -5.13 105.19 108.40 3ffk n GLY 79 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ffk n GLY 79 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ffk s ASN 80 N -0.97 1.15 0.15 1.61 0.02 -1.26 -4.67 114.94 110.98 3ffk s ASN 80 Ca 0.00 0.86 0.07 0.00 -1.02 0.00 0.00 52.86 52.77 3ffk s ASN 80 Cb 0.00 -1.28 -0.04 0.00 0.02 0.00 0.00 41.25 39.95 3ffk s ASN 80 CO 0.00 -4.00 -0.00 -0.76 0.02 0.00 0.00 177.10 172.35 3ffk s LEU 81 N -6.93 3.34 -0.12 0.60 1.02 -1.26 -2.44 118.68 112.89 3ffk s LEU 81 Ca 0.69 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.51 3ffk s LEU 81 Cb -0.14 -2.02 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 3ffk s LEU 81 CO 0.57 0.11 -0.17 -1.58 0.02 0.00 0.00 176.35 175.31 3ffk s GLN 82 N -2.79 3.27 -0.15 1.70 0.74 -0.51 -4.95 119.66 116.97 3ffk s GLN 82 Ca 0.27 -0.75 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 3ffk s GLN 82 Cb -0.10 -2.53 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 3ffk s GLN 82 CO 0.18 0.19 -0.09 0.71 -0.55 0.00 0.00 175.29 175.73 3ffk s TYR 83 N 0.38 2.91 -0.33 1.67 1.51 -1.26 -2.01 117.35 120.22 3ffk s TYR 83 Ca -0.13 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 3ffk s TYR 83 Cb -0.17 -1.91 0.09 0.00 -0.11 0.00 0.00 41.96 39.86 3ffk s TYR 83 CO 0.06 -0.18 0.03 -0.51 -1.11 0.00 0.00 175.55 173.84 3ffk s ASP 84 N 0.47 4.74 0.01 2.29 1.01 -0.70 -2.25 116.67 122.23 3ffk s ASP 84 Ca -0.07 -1.99 -0.24 0.00 0.71 0.00 0.00 52.55 50.96 3ffk s ASP 84 Cb -0.15 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.10 3ffk s ASP 84 CO 0.04 -0.35 0.74 -0.76 0.21 0.00 0.00 175.17 175.05 3ffk s LEU 85 N 0.96 4.40 -0.07 1.23 1.43 -0.94 -1.62 118.68 124.07 3ffk s LEU 85 Ca 0.07 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3ffk s LEU 85 Cb -0.19 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.88 3ffk s LEU 85 CO -0.07 -0.03 -0.06 -1.00 0.23 0.00 0.00 176.35 175.42 3ffk s HIS 86 N 0.22 1.05 -0.19 0.29 3.76 0.13 -2.07 115.29 118.49 3ffk s HIS 86 Ca 0.38 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.84 3ffk s HIS 86 Cb -0.19 -0.90 -0.03 0.00 1.11 0.00 0.00 32.58 32.56 3ffk s HIS 86 CO 0.21 -0.31 0.02 1.52 -0.85 0.00 0.00 174.74 175.33 3ffk s TYR 87 N 1.23 3.11 -0.17 1.40 -0.85 -0.71 0.66 117.35 122.02 3ffk s TYR 87 Ca -0.05 -0.22 -0.03 0.00 -0.52 0.00 0.00 57.07 56.25 3ffk s TYR 87 Cb -0.14 -2.06 -0.02 0.00 0.38 0.00 0.00 41.96 40.12 3ffk s TYR 87 CO -0.02 -0.06 -0.06 -0.46 -1.52 0.00 0.00 175.55 173.43 3ffk s TRP 88 N 0.66 2.94 -0.30 -3.49 -0.00 -0.89 0.18 118.94 118.03 3ffk s TRP 88 Ca 0.01 -0.60 0.00 0.00 -0.00 0.00 0.00 56.10 55.51 3ffk s TRP 88 Cb -0.14 -1.97 0.07 0.00 -0.00 0.00 0.00 33.47 31.42 3ffk s TRP 88 CO 0.02 -0.25 -0.01 -0.51 -0.00 0.00 0.00 176.95 176.20 3ffk s LEU 89 N 0.73 4.01 0.41 5.86 1.43 0.14 -1.74 118.68 129.52 3ffk s LEU 89 Ca -0.03 -1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 51.31 3ffk s LEU 89 Cb -0.15 -1.66 -0.08 0.00 0.03 0.00 0.00 46.19 44.33 3ffk s LEU 89 CO 0.02 -0.28 1.16 -0.83 0.23 0.00 0.00 176.35 176.65 3ffk s GLY 90 N 1.22 2.85 0.28 -3.19 0.00 -1.02 -2.58 107.32 104.88 3ffk s GLY 90 Ca -0.03 0.94 0.20 0.00 0.00 0.00 0.00 44.72 45.83 3ffk s GLY 90 CO -0.04 1.44 1.61 0.70 0.00 0.00 0.00 173.10 176.82 3ffk n ASN 91 N -0.00 0.52 -0.45 1.64 3.02 -1.05 -1.78 115.26 117.15 3ffk n ASN 91 Ca 0.05 0.72 0.04 0.00 -0.03 0.00 0.00 54.58 55.36 3ffk n ASN 91 Cb 0.47 -0.80 0.11 0.00 -0.61 0.00 0.00 39.78 38.95 3ffk n ASN 91 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ffk n GLU 92 N -2.18 2.90 -2.96 3.52 4.71 0.88 -5.02 120.64 122.49 3ffk n GLU 92 Ca -0.01 -1.90 -0.40 0.00 -0.01 0.00 0.00 57.16 54.84 3ffk n GLU 92 Cb 0.06 -1.20 -0.05 0.00 -1.01 0.00 0.00 31.44 29.24 3ffk n GLU 92 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ffk s SER 94 N -0.51 3.05 0.22 0.00 1.04 -1.26 -4.84 113.70 111.39 3ffk s SER 94 Ca 0.38 1.72 -0.07 0.00 0.48 0.00 0.00 55.95 58.46 3ffk s SER 94 Cb -0.22 -2.35 0.18 0.00 0.10 0.00 0.00 66.02 63.73 3ffk s SER 94 CO 0.25 -2.94 1.80 -0.61 0.98 0.00 0.00 173.24 172.72 3ffk h GLN 95 N -1.76 1.22 -0.63 4.02 4.15 -2.00 -2.52 115.11 117.59 3ffk h GLN 95 Ca -0.49 -0.20 0.10 0.00 0.77 0.00 0.00 58.65 58.83 3ffk h GLN 95 Cb 1.28 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 3ffk h GLN 95 CO 0.50 0.96 0.42 0.38 -1.93 0.00 0.00 178.83 179.16 3ffk h ASP 96 N 1.20 0.40 0.01 -0.69 2.03 -1.99 -1.25 116.42 116.13 3ffk h ASP 96 Ca 0.28 0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.54 3ffk h ASP 96 Cb 0.16 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3ffk h ASP 96 CO -0.03 0.24 -0.20 -0.33 -1.03 0.00 0.00 179.24 177.89 3ffk h GLU 97 N 0.44 0.12 -0.25 4.15 5.08 -1.82 -0.57 114.58 121.73 3ffk h GLU 97 Ca 0.29 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ffk h GLU 97 Cb 0.55 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3ffk h GLU 97 CO -0.08 0.94 0.15 0.66 -1.00 0.00 0.00 179.01 179.67 3ffk h SER 98 N -0.64 0.30 -0.65 1.42 4.64 -1.44 0.32 113.55 117.50 3ffk h SER 98 Ca -0.03 -0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3ffk h SER 98 Cb 1.02 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.98 3ffk h SER 98 CO 0.04 0.26 0.39 1.23 -0.87 0.00 0.00 176.83 177.88 3ffk h GLY 99 N 0.32 0.94 0.76 -0.77 0.00 -1.30 -1.41 103.07 101.61 3ffk h GLY 99 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3ffk h GLY 99 CO -0.02 0.23 -0.07 0.00 0.00 0.00 0.00 176.54 176.68 3ffk h ALA 100 N 1.30 -0.20 -0.81 3.60 0.00 -0.71 -2.07 119.26 120.38 3ffk h ALA 100 Ca 0.27 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3ffk h ALA 100 Cb 0.07 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3ffk h ALA 100 CO -0.13 -0.49 0.54 0.00 0.00 0.00 0.00 179.25 179.17 3ffk h ALA 101 N 0.38 2.10 0.35 0.00 0.00 -0.17 0.20 119.26 122.12 3ffk h ALA 101 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ffk h ALA 101 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ffk h ALA 101 CO 0.03 -0.33 -0.17 0.00 0.00 0.00 0.00 179.25 178.78 3ffk h ALA 102 N 1.63 -0.48 -0.48 0.00 0.00 -1.10 -2.67 119.26 116.17 3ffk h ALA 102 Ca 0.41 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3ffk h ALA 102 Cb 0.91 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3ffk h ALA 102 CO -0.14 -0.65 0.17 0.82 0.00 0.00 0.00 179.25 179.45 3ffk h ILE 103 N -0.72 1.22 -0.80 0.00 2.04 -0.34 -1.66 117.51 117.25 3ffk h ILE 103 Ca -0.05 -0.69 0.12 0.00 1.00 0.00 0.00 64.86 65.24 3ffk h ILE 103 Cb 0.50 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3ffk h ILE 103 CO 0.08 0.26 0.52 -0.26 0.00 0.00 0.00 178.15 178.75 3ffk h PHE 104 N 0.63 0.70 -0.01 1.37 0.05 -0.78 0.30 116.94 119.20 3ffk h PHE 104 Ca 0.16 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 3ffk h PHE 104 Cb 0.23 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 37.95 3ffk h PHE 104 CO 0.01 0.30 0.00 1.15 -0.18 0.00 0.00 178.31 179.59 3ffk h THR 105 N 0.63 1.07 -0.38 -1.55 2.02 -0.95 -0.85 112.91 112.89 3ffk h THR 105 Ca 0.38 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.28 3ffk h THR 105 Cb 0.62 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3ffk h THR 105 CO -0.15 0.05 -0.11 1.62 0.37 0.00 0.00 175.52 177.30 3ffk h VAL 106 N -0.07 1.28 -0.10 3.16 3.04 -0.73 -0.57 116.25 122.25 3ffk h VAL 106 Ca 0.00 -1.20 0.03 0.00 -1.01 0.00 0.00 66.70 64.53 3ffk h VAL 106 Cb 0.08 1.27 -0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3ffk h VAL 106 CO -0.00 0.40 0.08 1.56 -1.01 0.00 0.00 177.57 178.60 3ffk h GLN 107 N 0.54 0.00 0.15 4.17 4.20 -0.43 0.70 115.11 124.44 3ffk h GLN 107 Ca 0.09 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.45 3ffk h GLN 107 Cb 0.63 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 3ffk h GLN 107 CO 0.04 0.00 -1.84 1.25 -0.67 0.00 0.00 178.83 177.61 3ffk h LEU 108 N 0.00 0.49 -0.55 1.46 5.85 -0.88 -2.92 115.31 118.76 3ffk h LEU 108 Ca 0.05 -0.87 0.04 0.00 0.84 0.00 0.00 57.88 57.94 3ffk h LEU 108 Cb 0.21 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3ffk h LEU 108 CO -0.00 1.76 0.29 -0.78 -0.34 0.00 0.00 178.44 179.37 3ffk h ASP 109 N 0.09 0.44 0.08 1.25 1.82 -0.74 -1.06 116.42 118.29 3ffk h ASP 109 Ca -0.37 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.32 3ffk h ASP 109 Cb 2.06 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 41.97 3ffk h ASP 109 CO 0.14 0.30 -0.29 0.44 -1.61 0.00 0.00 179.24 178.22 3ffk h ASP 110 N 0.57 -0.83 -0.94 2.28 3.32 -0.97 0.33 116.42 120.18 3ffk h ASP 110 Ca 0.24 0.10 0.27 0.00 0.02 0.00 0.00 57.03 57.66 3ffk h ASP 110 Cb 0.12 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3ffk h ASP 110 CO -0.15 -0.37 0.71 0.22 -1.72 0.00 0.00 179.24 177.93 3ffk h TYR 111 N -0.48 0.00 -1.04 4.55 3.20 -1.27 -0.44 116.97 121.48 3ffk h TYR 111 Ca 0.04 0.00 -0.59 0.00 3.14 0.00 0.00 58.73 61.32 3ffk h TYR 111 Cb 0.53 0.00 -0.24 0.00 1.54 0.00 0.00 36.73 38.56 3ffk h TYR 111 CO -0.28 0.00 0.74 1.28 -1.64 0.00 0.00 178.16 178.27 3ffk n LEU 112 N -4.15 7.24 -2.40 2.82 4.32 -0.14 -4.87 117.00 119.84 3ffk n LEU 112 Ca 0.20 -4.11 -0.08 0.00 -0.02 0.00 0.00 56.01 52.00 3ffk n LEU 112 Cb 1.03 -1.04 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 3ffk n LEU 112 CO 0.38 1.48 -0.10 0.59 -1.22 0.00 0.00 177.39 178.52 3ffk n ASN 113 N -0.35 -2.88 0.00 -1.43 5.03 -0.18 -0.33 115.26 115.13 3ffk n ASN 113 Ca 0.52 0.29 0.00 0.00 0.87 0.00 0.00 54.58 56.26 3ffk n ASN 113 Cb 0.56 -2.52 0.00 0.00 -1.02 0.00 0.00 39.78 36.80 3ffk n ASN 113 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ffk n GLY 114 N -0.67 0.85 1.22 7.41 0.00 -0.08 -4.89 105.19 109.03 3ffk n GLY 114 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 3ffk n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffk n ARG 115 N -2.00 2.16 -4.26 1.61 1.74 0.56 -4.83 116.66 111.63 3ffk n ARG 115 Ca 0.00 -1.24 -0.32 0.00 -0.77 0.00 0.00 57.85 55.52 3ffk n ARG 115 Cb 0.00 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 3ffk n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ffk s ALA 116 N -1.55 3.29 -0.18 7.54 0.00 -1.26 -4.23 121.76 125.37 3ffk s ALA 116 Ca 0.22 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3ffk s ALA 116 Cb 0.18 -1.34 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 3ffk s ALA 116 CO 0.06 0.65 0.20 0.14 0.00 0.00 0.00 175.76 176.81 3ffk s VAL 117 N -1.11 5.36 0.01 0.00 -7.23 -0.95 -4.95 120.40 111.53 3ffk s VAL 117 Ca 0.20 0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 60.71 3ffk s VAL 117 Cb -0.12 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3ffk s VAL 117 CO 0.11 0.42 0.16 -1.10 -0.31 0.00 0.00 175.10 174.38 3ffk s GLN 118 N 0.38 3.31 -0.04 4.82 -0.21 -1.26 -2.21 119.66 124.45 3ffk s GLN 118 Ca 0.12 -0.41 -0.01 0.00 0.02 0.00 0.00 55.36 55.08 3ffk s GLN 118 Cb -0.12 -3.00 0.03 0.00 1.00 0.00 0.00 33.01 30.92 3ffk s GLN 118 CO 0.01 0.65 0.08 -1.01 -2.12 0.00 0.00 175.29 172.89 3ffk s HIS 119 N -1.33 -0.04 -0.03 0.91 3.76 -0.88 -5.01 115.29 112.67 3ffk s HIS 119 Ca 0.28 0.27 -0.26 0.00 -0.15 0.00 0.00 55.06 55.20 3ffk s HIS 119 Cb -0.13 -0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 3ffk s HIS 119 CO 0.19 -0.12 0.80 0.50 -0.85 0.00 0.00 174.74 175.27 3ffk s ARG 120 N 1.13 4.49 -0.13 1.40 3.52 -1.26 -1.74 118.95 126.35 3ffk s ARG 120 Ca -0.09 1.08 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 3ffk s ARG 120 Cb -0.12 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3ffk s ARG 120 CO -0.04 0.05 -0.17 -1.21 -0.81 0.00 0.00 175.30 173.12 3ffk s GLU 121 N 0.76 2.48 -0.04 5.12 0.41 0.13 -4.89 118.70 122.67 3ffk s GLU 121 Ca 0.42 -0.65 0.02 0.00 -0.41 0.00 0.00 54.97 54.36 3ffk s GLU 121 Cb -0.19 -2.11 -0.03 0.00 -1.78 0.00 0.00 34.13 30.02 3ffk s GLU 121 CO 0.22 -0.10 -0.08 0.08 -0.49 0.00 0.00 175.26 174.89 3ffk s VAL 122 N 1.07 3.60 0.13 2.63 1.01 -1.26 0.28 120.40 127.86 3ffk s VAL 122 Ca -0.03 -0.63 -0.34 0.00 0.00 0.00 0.00 61.98 60.98 3ffk s VAL 122 Cb -0.14 -2.50 -0.14 0.00 0.00 0.00 0.00 36.38 33.59 3ffk s VAL 122 CO -0.04 0.52 1.57 1.67 0.00 0.00 0.00 175.10 178.81 3ffk n GLN 123 N 1.97 2.03 -0.92 2.72 7.27 -1.07 -0.78 117.38 128.60 3ffk n GLN 123 Ca -0.17 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.63 3ffk n GLN 123 Cb 0.53 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.69 3ffk n GLN 123 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ffk n GLY 124 N 3.38 0.64 0.58 1.69 0.00 -1.26 -4.80 105.19 105.42 3ffk n GLY 124 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 3ffk n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ffk n PHE 125 N -2.24 0.00 -1.74 1.61 3.01 0.04 -5.11 117.46 113.03 3ffk n PHE 125 Ca 0.00 -0.12 -0.40 0.00 1.01 0.00 0.00 57.45 57.94 3ffk n PHE 125 Cb 0.04 -0.07 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 3ffk n PHE 125 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3ffk n GLU 126 N -0.04 2.06 -0.98 -1.08 4.71 -0.91 -4.54 120.64 119.86 3ffk n GLU 126 Ca 0.02 0.74 -0.32 0.00 -0.01 0.00 0.00 57.16 57.59 3ffk n GLU 126 Cb 0.74 -2.56 0.14 0.00 -1.01 0.00 0.00 31.44 28.75 3ffk n GLU 126 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3ffk s SER 127 N -0.57 3.49 0.12 1.62 1.04 -1.26 -4.85 113.70 113.29 3ffk s SER 127 Ca 0.63 2.19 -0.21 0.00 0.48 0.00 0.00 55.95 59.04 3ffk s SER 127 Cb -0.46 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.03 3ffk s SER 127 CO 0.56 -2.72 1.71 0.00 0.98 0.00 0.00 173.24 173.76 3ffk h ALA 128 N -1.32 0.04 -0.87 5.32 0.00 -1.99 -2.56 119.26 117.87 3ffk h ALA 128 Ca -0.44 0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.67 3ffk h ALA 128 Cb 1.27 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.11 3ffk h ALA 128 CO 0.45 -0.52 0.45 1.15 0.00 0.00 0.00 179.25 180.78 3ffk h THR 129 N -0.06 0.70 0.03 0.00 2.02 -1.99 -1.36 112.91 112.25 3ffk h THR 129 Ca 0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3ffk h THR 129 Cb 0.15 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3ffk h THR 129 CO -0.15 0.11 -0.01 0.15 0.37 0.00 0.00 175.52 175.99 3ffk h PHE 130 N 0.61 -0.03 0.00 3.16 3.57 -1.87 -2.87 116.94 119.51 3ffk h PHE 130 Ca 0.48 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.98 3ffk h PHE 130 Cb 0.72 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 3ffk h PHE 130 CO -0.09 0.33 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.22 3ffk h LEU 131 N -0.40 0.00 -0.81 0.59 3.38 -1.10 -1.80 115.31 115.17 3ffk h LEU 131 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ffk h LEU 131 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ffk h LEU 131 CO 0.01 0.02 0.00 1.23 0.09 0.00 0.00 178.44 179.79 3ffk h GLY 132 N 0.15 0.00 2.00 0.83 0.00 -1.03 -3.06 103.07 101.97 3ffk h GLY 132 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3ffk h GLY 132 CO 0.00 0.00 -0.24 -0.97 0.00 0.00 0.00 176.54 175.33 3ffk h TYR 133 N 0.00 0.00 -3.65 5.60 0.05 -1.28 -3.42 116.97 114.27 3ffk h TYR 133 Ca 0.00 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 58.14 3ffk h TYR 133 Cb 0.56 0.00 -0.19 0.00 1.01 0.00 0.00 36.73 38.11 3ffk h TYR 133 CO 0.00 0.24 -0.57 -0.06 -1.05 0.00 0.00 178.16 176.73 3ffk s PHE 134 N -4.20 3.18 0.29 4.88 0.40 -1.16 -5.00 117.98 116.37 3ffk s PHE 134 Ca -0.03 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 3ffk s PHE 134 Cb 0.14 -2.25 0.41 0.00 0.51 0.00 0.00 43.02 41.83 3ffk s PHE 134 CO 0.66 -0.15 1.91 0.87 0.70 0.00 0.00 175.22 179.21 3ffk h LYS 135 N 7.90 1.00 -0.23 0.44 1.79 -1.86 -3.17 116.57 122.43 3ffk h LYS 135 Ca -0.37 -0.11 -0.10 0.00 -2.18 0.00 0.00 60.65 57.89 3ffk h LYS 135 Cb 1.18 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 31.57 3ffk h LYS 135 CO 0.60 0.74 -0.14 -1.13 -1.08 0.00 0.00 179.45 178.44 3ffk n SER 136 N -4.36 2.51 -0.62 0.86 3.41 -1.26 -5.09 113.62 109.07 3ffk n SER 136 Ca 0.07 -3.63 0.08 0.00 -0.26 0.00 0.00 58.87 55.14 3ffk n SER 136 Cb 0.10 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.45 3ffk n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ffk n GLY 137 N -1.07 -1.56 3.79 5.00 0.00 -1.20 -4.91 105.19 105.23 3ffk n GLY 137 Ca 0.27 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 3ffk n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ffk s LEU 138 N -4.26 4.30 -0.25 0.99 1.43 -1.26 -4.97 118.68 114.65 3ffk s LEU 138 Ca 0.00 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 3ffk s LEU 138 Cb 0.00 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3ffk s LEU 138 CO 0.00 0.25 0.14 -0.54 0.23 0.00 0.00 176.35 176.43 3ffk s LYS 139 N -0.18 3.93 -0.06 1.70 1.02 -1.06 -5.06 119.74 120.02 3ffk s LYS 139 Ca 0.13 -0.34 -0.10 0.00 0.02 0.00 0.00 55.97 55.68 3ffk s LYS 139 Cb -0.12 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 3ffk s LYS 139 CO 0.02 -0.05 0.25 0.71 -0.92 0.00 0.00 175.35 175.37 3ffk s TYR 140 N 1.32 3.65 -0.05 3.18 4.12 -1.26 -2.22 117.35 126.09 3ffk s TYR 140 Ca 0.06 0.72 0.04 0.00 0.02 0.00 0.00 57.07 57.91 3ffk s TYR 140 Cb -0.15 -2.08 -0.00 0.00 -1.52 0.00 0.00 41.96 38.21 3ffk s TYR 140 CO 0.06 0.69 -0.18 0.15 0.02 0.00 0.00 175.55 176.29 3ffk s LYS 141 N -1.10 1.88 0.48 -0.62 -0.14 -0.32 -4.92 119.74 114.99 3ffk s LYS 141 Ca 0.19 -0.64 -0.22 0.00 -1.36 0.00 0.00 55.97 53.94 3ffk s LYS 141 Cb -0.14 -1.62 -0.07 0.00 -1.68 0.00 0.00 37.83 34.32 3ffk s LYS 141 CO 0.09 0.25 1.17 0.21 -0.76 0.00 0.00 175.35 176.30 3ffk s LYS 142 N 0.04 3.66 1.43 1.68 2.47 -1.26 -1.60 119.74 126.17 3ffk s LYS 142 Ca -0.04 1.77 0.00 0.00 -1.56 0.00 0.00 55.97 56.13 3ffk s LYS 142 Cb -0.12 -2.33 0.00 0.00 -1.46 0.00 0.00 37.83 33.92 3ffk s LYS 142 CO 0.02 -0.63 0.00 0.41 0.16 0.00 0.00 175.35 175.32 3ffk n GLY 143 N 0.41 -0.70 0.00 5.54 0.00 -1.26 -4.85 105.19 104.33 3ffk n GLY 143 Ca 0.08 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3ffk n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffk n GLY 144 N 0.00 1.57 3.75 -0.02 0.00 -1.26 -1.85 105.19 107.38 3ffk n GLY 144 Ca 0.00 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3ffk n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffk s VAL 145 N -1.50 3.21 0.46 1.61 0.11 -1.26 -5.00 120.40 118.03 3ffk s VAL 145 Ca 0.00 1.11 -0.23 0.00 -2.93 0.00 0.00 61.98 59.93 3ffk s VAL 145 Cb 0.00 -3.71 -0.07 0.00 -1.53 0.00 0.00 36.38 31.07 3ffk s VAL 145 CO 0.00 0.22 1.17 0.00 -3.33 0.00 0.00 175.10 173.16 3ffk s ALA 146 N -0.57 2.97 0.36 1.54 0.00 -1.26 -4.87 121.76 119.94 3ffk s ALA 146 Ca 0.51 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 53.21 3ffk s ALA 146 Cb -0.36 -3.39 -0.15 0.00 0.00 0.00 0.00 23.12 19.22 3ffk s ALA 146 CO 0.43 -0.68 0.14 0.45 0.00 0.00 0.00 175.76 176.10 3ffk n SER 147 N -0.49 -2.53 0.17 0.00 2.88 -1.26 -4.63 113.62 107.76 3ffk n SER 147 Ca 0.07 0.82 0.12 0.00 -1.33 0.00 0.00 58.87 58.55 3ffk n SER 147 Cb 0.48 -0.85 0.13 0.00 -0.75 0.00 0.00 64.21 63.22 3ffk n SER 147 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ffk h GLY 148 N 0.40 0.00 -4.26 0.46 0.00 -1.93 -3.47 103.07 94.27 3ffk h GLY 148 Ca -0.34 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.46 3ffk h GLY 148 CO 0.46 0.00 0.74 -1.36 0.00 0.00 0.00 176.54 176.38 3ffk s PHE 149 N -3.25 3.07 0.05 5.60 2.99 -1.26 -5.02 117.98 120.16 3ffk s PHE 149 Ca 0.05 1.05 -0.13 0.00 0.00 0.00 0.00 56.93 57.90 3ffk s PHE 149 Cb 0.07 -3.78 -0.06 0.00 0.00 0.00 0.00 43.02 39.26 3ffk s PHE 149 CO 0.71 -2.53 0.42 0.21 -0.00 0.00 0.00 175.22 174.03 3ffk s LYS 150 N -0.26 3.86 0.08 0.44 2.20 -1.26 -5.09 119.74 119.71 3ffk s LYS 150 Ca 0.59 0.32 -0.14 0.00 -0.36 0.00 0.00 55.97 56.38 3ffk s LYS 150 Cb -0.41 -3.09 -0.06 0.00 -1.51 0.00 0.00 37.83 32.76 3ffk s LYS 150 CO 0.42 0.61 0.48 -1.58 -0.36 0.00 0.00 175.35 174.91 3ffk s HIS 151 N -1.27 3.67 -0.19 4.03 5.65 -1.26 -5.09 115.29 120.84 3ffk s HIS 151 Ca 0.30 1.01 -0.09 0.00 0.25 0.00 0.00 55.06 56.52 3ffk s HIS 151 Cb -0.15 -2.32 0.07 0.00 -1.18 0.00 0.00 32.58 29.00 3ffk s HIS 151 CO 0.16 0.54 0.44 0.54 -0.65 0.00 0.00 174.74 175.77 3ffk s VAL 152 N -1.28 -0.17 -0.27 0.89 0.11 -1.26 -5.12 120.40 113.29 3ffk s VAL 152 Ca 0.31 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.26 3ffk s VAL 152 Cb -0.16 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3ffk s VAL 152 CO 0.17 0.04 0.64 0.54 -3.33 0.00 0.00 175.10 173.16 3ffk s VAL 153 N 1.71 4.96 0.25 2.04 0.11 -1.26 -5.01 120.40 123.19 3ffk s VAL 153 Ca -0.08 1.05 -0.31 0.00 -2.93 0.00 0.00 61.98 59.72 3ffk s VAL 153 Cb -0.09 -3.97 -0.12 0.00 -1.53 0.00 0.00 36.38 30.68 3ffk s VAL 153 CO -0.13 -0.04 1.65 -2.84 -3.33 0.00 0.00 175.10 170.40 3ffk s PRO 154 N 2.57 4.12 0.00 1.54 0.02 -1.26 -1.96 135.00 140.03 3ffk s PRO 154 Ca 0.26 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.87 3ffk s PRO 154 Cb -0.15 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3ffk s PRO 154 CO 0.10 -0.69 0.00 0.09 -0.33 0.00 0.00 177.00 176.17 3ffk n ASN 155 N 3.02 -1.31 -4.76 2.53 3.02 -1.26 -4.99 115.26 111.51 3ffk n ASN 155 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 3ffk n ASN 155 Cb 0.36 -0.91 -0.04 0.00 -0.61 0.00 0.00 39.78 38.58 3ffk n ASN 155 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ffk s GLU 156 N -0.37 4.51 0.01 3.52 2.12 -0.83 -5.03 118.70 122.62 3ffk s GLU 156 Ca 0.00 1.89 0.03 0.00 0.36 0.00 0.00 54.97 57.25 3ffk s GLU 156 Cb 0.00 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 3ffk s GLU 156 CO 0.00 0.06 -0.10 0.08 -0.54 0.00 0.00 175.26 174.76 3ffk s VAL 157 N -1.20 0.79 -0.30 3.70 1.01 -1.26 -5.03 120.40 118.11 3ffk s VAL 157 Ca 0.47 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3ffk s VAL 157 Cb -0.33 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.44 3ffk s VAL 157 CO 0.43 0.07 0.09 -0.69 0.00 0.00 0.00 175.10 174.99 3ffk s VAL 158 N -0.53 0.89 -0.01 2.92 1.01 -1.26 -4.87 120.40 118.54 3ffk s VAL 158 Ca 0.01 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.66 3ffk s VAL 158 Cb -0.05 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3ffk s VAL 158 CO 0.00 -0.62 -0.00 -0.69 0.00 0.00 0.00 175.10 173.79 3ffk s VAL 159 N 1.62 0.11 -0.30 2.92 1.01 -1.26 -5.02 120.40 119.48 3ffk s VAL 159 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3ffk s VAL 159 Cb -0.17 -0.15 0.14 0.00 0.00 0.00 0.00 36.38 36.20 3ffk s VAL 159 CO -0.23 0.07 0.34 -1.58 0.00 0.00 0.00 175.10 173.70 3ffk s GLN 160 N 0.43 0.39 0.02 2.72 0.74 -1.23 -3.49 119.66 119.24 3ffk s GLN 160 Ca -0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.18 3ffk s GLN 160 Cb -0.06 -0.58 -0.02 0.00 1.10 0.00 0.00 33.01 33.46 3ffk s GLN 160 CO -0.01 -1.06 0.01 -0.98 -0.55 0.00 0.00 175.29 172.70 3ffk s ARG 161 N 2.27 0.36 -0.03 1.67 1.70 -0.29 -4.99 118.95 119.64 3ffk s ARG 161 Ca 0.10 -0.58 0.04 0.00 -0.47 0.00 0.00 55.73 54.82 3ffk s ARG 161 Cb -0.14 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.35 3ffk s ARG 161 CO -0.28 -0.07 -0.15 -1.17 -1.08 0.00 0.00 175.30 172.55 3ffk s LEU 162 N -1.49 2.71 0.20 -1.89 2.96 -1.26 -0.08 118.68 119.83 3ffk s LEU 162 Ca -0.15 -0.24 0.10 0.00 -0.22 0.00 0.00 54.13 53.62 3ffk s LEU 162 Cb -0.09 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3ffk s LEU 162 CO -0.01 0.33 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.79 3ffk s PHE 163 N -0.77 2.07 -0.11 5.38 0.40 0.65 -1.66 117.98 123.94 3ffk s PHE 163 Ca 0.12 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 3ffk s PHE 163 Cb -0.11 -0.99 0.01 0.00 0.51 0.00 0.00 43.02 42.45 3ffk s PHE 163 CO 0.01 0.48 -0.18 -1.14 0.70 0.00 0.00 175.22 175.09 3ffk s GLN 164 N -3.01 2.55 -0.28 0.44 0.74 0.12 -2.21 119.66 118.01 3ffk s GLN 164 Ca 0.21 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.91 3ffk s GLN 164 Cb -0.06 -2.08 0.04 0.00 1.10 0.00 0.00 33.01 32.01 3ffk s GLN 164 CO 0.10 0.00 -0.01 0.08 -0.55 0.00 0.00 175.29 174.91 3ffk s VAL 165 N 0.80 3.09 -0.04 1.34 1.01 0.35 -1.01 120.40 125.94 3ffk s VAL 165 Ca -0.10 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 3ffk s VAL 165 Cb -0.16 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.60 3ffk s VAL 165 CO 0.01 0.03 0.50 -1.59 0.00 0.00 0.00 175.10 174.04 3ffk s LYS 166 N 1.31 0.86 0.00 2.72 -2.85 -1.20 -2.24 119.74 118.34 3ffk s LYS 166 Ca -0.02 0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.02 3ffk s LYS 166 Cb -0.18 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 35.98 3ffk s LYS 166 CO -0.02 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.59 3ffk n GLY 167 N 1.18 2.68 0.07 0.59 0.00 -1.26 -2.70 105.19 105.75 3ffk n GLY 167 Ca -0.20 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.61 3ffk n GLY 167 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ffk h ARG 168 N 0.00 0.00 0.00 1.61 2.43 -1.81 -3.43 114.38 113.18 3ffk h ARG 168 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ffk h ARG 168 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3ffk h ARG 168 CO 0.00 0.30 -0.34 0.54 -1.51 0.00 0.00 179.97 178.95 3ffk n ARG 169 N -4.62 3.65 -3.51 0.20 1.74 -1.26 -4.73 116.66 108.14 3ffk n ARG 169 Ca -0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 3ffk n ARG 169 Cb 0.30 -0.65 -0.06 0.00 -1.02 0.00 0.00 32.46 31.03 3ffk n ARG 169 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ffk s VAL 170 N -0.72 4.64 -0.22 1.55 1.01 -1.26 -5.04 120.40 120.36 3ffk s VAL 170 Ca 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 61.98 59.49 3ffk s VAL 170 Cb 0.00 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3ffk s VAL 170 CO 0.00 -0.91 0.17 -0.69 0.00 0.00 0.00 175.10 173.67 3ffk s VAL 171 N 0.50 5.37 0.00 2.92 1.01 -1.26 -4.45 120.40 124.49 3ffk s VAL 171 Ca 0.13 0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.39 3ffk s VAL 171 Cb -0.19 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3ffk s VAL 171 CO -0.04 0.38 -0.12 -0.13 0.00 0.00 0.00 175.10 175.19 3ffk s ARG 172 N 0.76 0.92 -0.04 2.72 1.81 -1.10 -4.91 118.95 119.11 3ffk s ARG 172 Ca 0.09 -0.50 -0.26 0.00 -1.72 0.00 0.00 55.73 53.33 3ffk s ARG 172 Cb -0.13 -0.89 -0.03 0.00 -0.45 0.00 0.00 34.95 33.45 3ffk s ARG 172 CO 0.02 0.24 0.83 0.00 -0.68 0.00 0.00 175.30 175.71 3ffk s ALA 173 N -0.43 3.26 -0.03 2.13 0.00 -1.26 -3.24 121.76 122.18 3ffk s ALA 173 Ca 0.03 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.35 3ffk s ALA 173 Cb -0.05 -3.14 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3ffk s ALA 173 CO -0.00 -0.17 -0.14 0.99 0.00 0.00 0.00 175.76 176.45 3ffk s THR 174 N 0.91 1.14 0.16 0.00 2.01 -0.18 -4.92 115.64 114.76 3ffk s THR 174 Ca 0.44 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 3ffk s THR 174 Cb -0.19 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.26 3ffk s THR 174 CO 0.23 0.34 0.97 -0.70 -0.69 0.00 0.00 174.62 174.76 3ffk s GLU 175 N 0.03 4.74 0.10 4.92 2.12 -1.26 0.11 118.70 129.45 3ffk s GLU 175 Ca -0.02 1.49 0.01 0.00 0.36 0.00 0.00 54.97 56.81 3ffk s GLU 175 Cb -0.09 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 3ffk s GLU 175 CO 0.01 0.29 -0.03 0.14 -0.54 0.00 0.00 175.26 175.13 3ffk s VAL 176 N -0.38 0.51 0.48 3.70 -7.23 -0.67 -4.93 120.40 111.88 3ffk s VAL 176 Ca 0.45 -1.91 -0.21 0.00 -1.81 0.00 0.00 61.98 58.50 3ffk s VAL 176 Cb -0.25 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 3ffk s VAL 176 CO 0.31 -0.80 0.72 -2.65 -0.31 0.00 0.00 175.10 172.37 3ffk n PRO 177 N -0.04 0.81 -1.65 4.82 -0.02 -1.26 -4.09 135.00 133.56 3ffk n PRO 177 Ca -0.11 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 3ffk n PRO 177 Cb 0.62 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3ffk n PRO 177 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ffk n VAL 178 N -1.07 3.61 -4.06 -1.45 0.31 -1.26 -4.71 118.33 109.70 3ffk n VAL 178 Ca 0.11 -2.93 -0.08 0.00 -0.01 0.00 0.00 64.34 61.42 3ffk n VAL 178 Cb 0.42 -2.61 -0.10 0.00 -0.91 0.00 0.00 33.84 30.64 3ffk n VAL 178 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3ffk s SER 179 N 3.00 0.52 0.35 4.52 0.15 -1.26 -4.87 113.70 116.11 3ffk s SER 179 Ca 0.51 -0.82 0.06 0.00 0.70 0.00 0.00 55.95 56.40 3ffk s SER 179 Cb 0.15 0.15 0.73 0.00 -1.71 0.00 0.00 66.02 65.34 3ffk s SER 179 CO -0.08 -0.47 1.94 -0.50 1.20 0.00 0.00 173.24 175.33 3ffk h TRP 180 N 3.67 0.80 -0.34 3.44 -0.00 -1.91 -1.93 115.95 119.70 3ffk h TRP 180 Ca -0.34 0.02 0.10 0.00 -0.00 0.00 0.00 58.89 58.67 3ffk h TRP 180 Cb 1.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 30.05 3ffk h TRP 180 CO 0.58 0.40 0.66 1.49 -0.00 0.00 0.00 178.44 181.58 3ffk h GLU 181 N 0.77 0.00 0.00 0.49 4.81 -1.95 0.32 114.58 119.03 3ffk h GLU 181 Ca 0.35 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 3ffk h GLU 181 Cb 0.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3ffk h GLU 181 CO -0.13 0.00 -0.51 0.77 -0.73 0.00 0.00 179.01 178.41 3ffk h SER 182 N 0.00 0.00 -4.09 1.04 0.02 -1.63 -3.47 113.55 105.42 3ffk h SER 182 Ca 0.16 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.64 3ffk h SER 182 Cb 1.49 0.00 0.03 0.00 0.14 0.00 0.00 62.40 64.05 3ffk h SER 182 CO -0.00 0.51 0.38 -0.36 -1.14 0.00 0.00 176.83 176.21 3ffk s PHE 183 N -2.96 3.04 -0.13 3.45 0.08 0.11 -5.08 117.98 116.49 3ffk s PHE 183 Ca 0.04 1.57 -0.16 0.00 0.12 0.00 0.00 56.93 58.49 3ffk s PHE 183 Cb 0.08 -3.03 0.04 0.00 -0.57 0.00 0.00 43.02 39.54 3ffk s PHE 183 CO 0.75 -0.78 0.44 0.54 -0.10 0.00 0.00 175.22 176.06 3ffk s ASN 184 N -2.15 -0.43 0.00 1.36 2.20 -1.26 -4.61 114.94 110.05 3ffk s ASN 184 Ca 0.66 0.75 0.08 0.00 -0.94 0.00 0.00 52.86 53.41 3ffk s ASN 184 Cb -0.15 0.79 0.48 0.00 -2.00 0.00 0.00 41.25 40.37 3ffk s ASN 184 CO 0.22 -0.23 0.89 0.59 -2.94 0.00 0.00 177.10 175.63 3ffk n ASN 185 N 2.45 0.00 -0.79 3.54 5.03 -0.57 -2.32 115.26 122.60 3ffk n ASN 185 Ca -0.15 -0.51 0.11 0.00 0.87 0.00 0.00 54.58 54.90 3ffk n ASN 185 Cb 0.57 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.40 3ffk n ASN 185 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ffk n GLY 186 N -0.20 0.63 0.32 7.41 0.00 -0.95 -1.27 105.19 111.14 3ffk n GLY 186 Ca 0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 3ffk n GLY 186 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ffk n ASP 187 N 0.92 1.00 -4.41 1.61 10.43 -0.98 -3.27 116.55 121.85 3ffk n ASP 187 Ca 0.12 -1.21 -0.27 0.00 2.57 0.00 0.00 54.79 56.01 3ffk n ASP 187 Cb 0.53 0.10 -0.12 0.00 1.84 0.00 0.00 41.12 43.47 3ffk n ASP 187 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ffk s PHE 189 N -1.62 -0.13 -0.21 0.00 0.40 0.19 -0.49 117.98 116.11 3ffk s PHE 189 Ca 0.19 0.35 -0.03 0.00 -0.60 0.00 0.00 56.93 56.85 3ffk s PHE 189 Cb -0.08 -0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.45 3ffk s PHE 189 CO 0.09 -0.09 -0.08 0.42 0.70 0.00 0.00 175.22 176.26 3ffk s ILE 190 N 0.41 3.03 -0.69 0.64 1.01 -0.94 -0.59 121.20 124.08 3ffk s ILE 190 Ca -0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 3ffk s ILE 190 Cb -0.04 -2.38 0.18 0.00 0.01 0.00 0.00 42.46 40.23 3ffk s ILE 190 CO -0.02 0.42 0.62 -0.22 0.00 0.00 0.00 174.94 175.74 3ffk s LEU 191 N 1.42 6.34 -0.48 2.97 2.96 0.28 -0.25 118.68 131.93 3ffk s LEU 191 Ca 0.05 -2.38 -0.28 0.00 -0.22 0.00 0.00 54.13 51.30 3ffk s LEU 191 Cb -0.14 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.42 3ffk s LEU 191 CO -0.06 -0.64 1.10 -0.62 -1.32 0.00 0.00 176.35 174.81 3ffk s ASP 192 N 2.47 6.60 -0.32 3.68 -1.08 0.88 -1.90 116.67 127.00 3ffk s ASP 192 Ca 0.12 0.38 0.08 0.00 -0.52 0.00 0.00 52.55 52.61 3ffk s ASP 192 Cb -0.18 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.29 3ffk s ASP 192 CO -0.04 -1.22 1.55 0.18 0.52 0.00 0.00 175.17 176.15 3ffk n LEU 193 N 7.74 4.62 0.00 -1.34 4.77 0.52 -1.14 117.00 132.17 3ffk n LEU 193 Ca 0.11 -3.71 0.00 0.00 -0.03 0.00 0.00 56.01 52.38 3ffk n LEU 193 Cb 0.49 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3ffk n LEU 193 CO 0.70 1.19 0.00 0.61 -1.33 0.00 0.00 177.39 178.57 3ffk n GLY 194 N -1.08 1.99 0.32 -0.72 0.00 -1.23 -3.73 105.19 100.75 3ffk n GLY 194 Ca 0.38 -0.17 0.17 0.00 0.00 0.00 0.00 46.02 46.40 3ffk n GLY 194 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ffk h ASN 195 N 0.00 0.00 -4.30 1.61 4.21 -1.89 -3.43 115.58 111.78 3ffk h ASN 195 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 3ffk h ASN 195 Cb 0.00 0.00 -0.28 0.00 -1.12 0.00 0.00 38.32 36.92 3ffk h ASN 195 CO 0.00 0.00 -0.83 0.20 -1.29 0.00 0.00 177.43 175.51 3ffk s ASN 196 N -5.85 2.03 -0.11 5.81 0.01 -1.24 -0.16 114.94 115.42 3ffk s ASN 196 Ca -0.05 -0.35 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3ffk s ASN 196 Cb 0.15 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.62 3ffk s ASN 196 CO 0.52 0.18 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.56 3ffk s ILE 197 N -0.51 1.18 -0.26 0.60 1.01 0.88 -0.35 121.20 123.76 3ffk s ILE 197 Ca 0.06 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3ffk s ILE 197 Cb -0.07 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3ffk s ILE 197 CO -0.00 0.39 0.14 -1.00 0.00 0.00 0.00 174.94 174.47 3ffk s HIS 198 N 1.45 3.19 -0.22 3.97 3.76 -0.80 -0.52 115.29 126.13 3ffk s HIS 198 Ca 0.01 -0.04 -0.08 0.00 -0.15 0.00 0.00 55.06 54.81 3ffk s HIS 198 Cb -0.13 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 3ffk s HIS 198 CO -0.06 -0.17 0.08 -1.14 -0.85 0.00 0.00 174.74 172.60 3ffk s GLN 199 N 1.52 3.84 -0.04 1.40 0.74 -0.02 -0.56 119.66 126.54 3ffk s GLN 199 Ca 0.07 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.10 3ffk s GLN 199 Cb -0.15 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.67 3ffk s GLN 199 CO 0.07 0.05 -0.08 -0.46 -0.55 0.00 0.00 175.29 174.31 3ffk s TRP 200 N 1.00 0.98 -0.08 1.67 -0.00 0.24 -1.10 118.94 121.65 3ffk s TRP 200 Ca 0.04 -0.28 0.00 0.00 -0.00 0.00 0.00 56.10 55.86 3ffk s TRP 200 Cb -0.14 -0.75 0.02 0.00 -0.00 0.00 0.00 33.47 32.61 3ffk s TRP 200 CO 0.03 -0.16 -0.06 0.00 -0.00 0.00 0.00 176.95 176.76 3ffk s GLY 202 N 1.38 2.16 0.59 0.00 0.00 0.23 -4.61 107.32 107.07 3ffk s GLY 202 Ca -0.02 0.73 0.37 0.00 0.00 0.00 0.00 44.72 45.79 3ffk s GLY 202 CO -0.03 1.12 2.13 1.48 0.00 0.00 0.00 173.10 177.80 3ffk h SER 203 N -0.51 0.00 -0.11 1.64 4.64 -1.85 -2.21 113.55 115.15 3ffk h SER 203 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ffk h SER 203 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ffk h SER 203 CO 0.50 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 177.06 3ffk n ASN 204 N -3.13 2.24 -4.74 4.97 3.02 -0.39 -4.94 115.26 112.28 3ffk n ASN 204 Ca -0.01 -1.76 -0.33 0.00 -0.03 0.00 0.00 54.58 52.45 3ffk n ASN 204 Cb 0.22 -0.06 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 3ffk n ASN 204 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3ffk s SER 205 N -1.82 4.45 0.36 6.41 1.04 -0.83 -4.73 113.70 118.57 3ffk s SER 205 Ca 0.34 2.19 0.07 0.00 0.48 0.00 0.00 55.95 59.04 3ffk s SER 205 Cb 0.20 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.74 3ffk s SER 205 CO 0.31 -2.08 0.46 0.54 0.98 0.00 0.00 173.24 173.44 3ffk s ASN 206 N -2.33 5.75 0.24 7.02 2.20 -1.26 -4.98 114.94 121.58 3ffk s ASN 206 Ca 0.71 -0.32 -0.06 0.00 -0.94 0.00 0.00 52.86 52.25 3ffk s ASN 206 Cb -0.25 -1.02 0.44 0.00 -2.00 0.00 0.00 41.25 38.42 3ffk s ASN 206 CO 0.45 -0.51 1.66 -0.09 -2.94 0.00 0.00 177.10 175.67 3ffk h ARG 207 N 0.89 0.17 -0.30 3.55 2.43 -1.96 -1.43 114.38 117.75 3ffk h ARG 207 Ca -0.44 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.58 3ffk h ARG 207 Cb 1.26 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3ffk h ARG 207 CO 0.52 0.11 -0.38 1.88 -1.51 0.00 0.00 179.97 180.60 3ffk h TYR 208 N 0.18 0.81 -0.53 2.20 -1.99 -1.92 -2.48 116.97 113.24 3ffk h TYR 208 Ca 0.41 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.85 3ffk h TYR 208 Cb 0.72 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 3ffk h TYR 208 CO -0.34 0.96 0.08 0.93 -0.00 0.00 0.00 178.16 179.79 3ffk h GLU 209 N 0.57 0.84 0.18 4.88 5.08 -1.55 -0.97 114.58 123.61 3ffk h GLU 209 Ca 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3ffk h GLU 209 Cb 0.90 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ffk h GLU 209 CO 0.08 0.78 -0.09 0.00 -1.00 0.00 0.00 179.01 178.79 3ffk h ARG 210 N 0.79 -0.24 -0.43 2.33 3.08 -1.27 -0.71 114.38 117.93 3ffk h ARG 210 Ca 0.17 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.29 3ffk h ARG 210 Cb 0.36 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 3ffk h ARG 210 CO 0.01 0.13 0.11 1.25 -1.07 0.00 0.00 179.97 180.40 3ffk h LEU 211 N -0.66 0.08 -0.36 3.04 5.85 -1.40 -0.44 115.31 121.41 3ffk h LEU 211 Ca -0.03 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ffk h LEU 211 Cb 0.48 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3ffk h LEU 211 CO 0.04 0.08 0.22 0.50 -0.34 0.00 0.00 178.44 178.94 3ffk h LYS 212 N 0.26 0.44 -0.77 1.25 1.63 -1.18 -1.32 116.57 116.88 3ffk h LYS 212 Ca 0.20 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.04 3ffk h LYS 212 Cb 0.23 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.70 3ffk h LYS 212 CO -0.24 0.29 0.45 0.00 -3.45 0.00 0.00 179.45 176.50 3ffk h ALA 213 N 1.14 1.05 -0.32 5.00 0.00 -0.28 -0.34 119.26 125.52 3ffk h ALA 213 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ffk h ALA 213 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ffk h ALA 213 CO -0.05 0.15 0.15 1.15 0.00 0.00 0.00 179.25 180.66 3ffk h THR 214 N 0.82 1.16 -0.30 0.00 2.02 -0.80 -1.60 112.91 114.20 3ffk h THR 214 Ca 0.34 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 67.13 3ffk h THR 214 Cb 0.20 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3ffk h THR 214 CO -0.19 0.16 0.01 1.56 0.37 0.00 0.00 175.52 177.44 3ffk h GLN 215 N 0.38 0.10 -0.50 6.66 4.20 -0.46 -1.41 115.11 124.08 3ffk h GLN 215 Ca 0.11 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 3ffk h GLN 215 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3ffk h GLN 215 CO -0.01 0.07 -0.04 0.28 -0.67 0.00 0.00 178.83 178.45 3ffk h VAL 216 N 0.11 1.26 -0.55 -0.54 2.07 -1.02 -1.84 116.25 115.73 3ffk h VAL 216 Ca 0.14 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.44 3ffk h VAL 216 Cb 0.18 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ffk h VAL 216 CO -0.23 0.39 -0.06 0.28 0.02 0.00 0.00 177.57 177.97 3ffk h SER 217 N 0.80 0.99 -0.19 0.57 0.02 -0.92 -0.05 113.55 114.78 3ffk h SER 217 Ca 0.14 -0.30 -0.20 0.00 -0.84 0.00 0.00 61.79 60.60 3ffk h SER 217 Cb 0.54 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3ffk h SER 217 CO 0.03 1.08 -0.63 0.11 -1.14 0.00 0.00 176.83 176.28 3ffk h LYS 218 N 0.90 0.80 -0.62 3.45 1.57 -1.25 -1.72 116.57 119.71 3ffk h LYS 218 Ca 0.15 -0.56 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 3ffk h LYS 218 Cb 0.61 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3ffk h LYS 218 CO 0.04 1.18 0.40 0.78 -0.57 0.00 0.00 179.45 181.28 3ffk h GLY 219 N 0.72 0.88 0.92 3.86 0.00 -1.10 0.53 103.07 108.88 3ffk h GLY 219 Ca -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3ffk h GLY 219 CO 0.13 0.29 0.12 -2.22 0.00 0.00 0.00 176.54 174.86 3ffk h ILE 220 N 0.81 1.15 0.70 2.60 2.04 -0.96 0.57 117.51 124.43 3ffk h ILE 220 Ca 0.24 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3ffk h ILE 220 Cb -0.05 0.97 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3ffk h ILE 220 CO -0.07 0.16 -0.33 -0.09 0.00 0.00 0.00 178.15 177.81 3ffk h ARG 221 N 0.29 -0.90 0.00 2.37 2.43 -0.75 -0.01 114.38 117.80 3ffk h ARG 221 Ca 0.09 0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.15 3ffk h ARG 221 Cb 0.14 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3ffk h ARG 221 CO -0.01 -0.60 -0.81 -0.44 -1.51 0.00 0.00 179.97 176.60 3ffk h ASP 222 N -1.10 0.05 0.00 -3.80 3.32 -0.06 -1.54 116.42 113.30 3ffk h ASP 222 Ca -0.10 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3ffk h ASP 222 Cb 0.72 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3ffk h ASP 222 CO 0.16 0.84 -0.25 -3.20 -1.72 0.00 0.00 179.24 175.06 3ffk n ASN 223 N -3.61 0.54 -0.01 6.45 2.85 0.12 -3.33 115.26 118.27 3ffk n ASN 223 Ca -0.01 0.15 0.04 0.00 -0.11 0.00 0.00 54.58 54.64 3ffk n ASN 223 Cb 0.77 -0.58 0.41 0.00 1.24 0.00 0.00 39.78 41.63 3ffk n ASN 223 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3ffk h GLU 224 N -0.28 0.56 -0.31 1.20 5.08 -0.80 -2.95 114.58 117.07 3ffk h GLU 224 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3ffk h GLU 224 Cb 0.25 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ffk h GLU 224 CO 0.00 0.38 0.00 0.54 -1.00 0.00 0.00 179.01 178.93 3ffk n ARG 225 N -4.46 2.19 -1.78 2.33 5.12 -0.07 -4.96 116.66 115.03 3ffk n ARG 225 Ca 0.03 -1.99 -0.21 0.00 -1.93 0.00 0.00 57.85 53.75 3ffk n ARG 225 Cb 0.07 -1.38 -0.07 0.00 -1.16 0.00 0.00 32.46 29.92 3ffk n ARG 225 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3ffk n SER 226 N 1.03 -5.61 0.00 0.55 7.64 -1.12 -1.14 113.62 114.97 3ffk n SER 226 Ca 0.15 0.40 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3ffk n SER 226 Cb 0.48 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.81 3ffk n SER 226 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ffk n GLY 227 N -0.54 0.88 1.59 0.23 0.00 -0.58 -4.95 105.19 101.82 3ffk n GLY 227 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3ffk n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffk n ARG 228 N -2.00 1.44 -4.23 1.61 1.74 -0.29 -4.89 116.66 110.04 3ffk n ARG 228 Ca 0.00 -0.92 -0.13 0.00 -0.77 0.00 0.00 57.85 56.03 3ffk n ARG 228 Cb 0.00 -1.36 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 3ffk n ARG 228 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ffk s ALA 229 N -1.05 1.28 -0.03 7.54 0.00 -1.26 -4.69 121.76 123.54 3ffk s ALA 229 Ca 0.18 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.54 3ffk s ALA 229 Cb 0.14 0.94 -0.01 0.00 0.00 0.00 0.00 23.12 24.19 3ffk s ALA 229 CO 0.01 -0.46 -0.20 1.03 0.00 0.00 0.00 175.76 176.15 3ffk s ARG 230 N -4.03 1.81 -0.26 0.00 0.52 0.78 -4.99 118.95 112.78 3ffk s ARG 230 Ca 0.31 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.75 3ffk s ARG 230 Cb 0.07 -1.64 -0.01 0.00 0.52 0.00 0.00 34.95 33.89 3ffk s ARG 230 CO 0.08 0.35 0.05 0.08 0.02 0.00 0.00 175.30 175.88 3ffk s VAL 231 N -0.23 3.99 -0.26 3.52 1.01 -1.26 -0.08 120.40 127.09 3ffk s VAL 231 Ca 0.02 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3ffk s VAL 231 Cb -0.10 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 3ffk s VAL 231 CO 0.01 0.27 0.03 -1.00 0.00 0.00 0.00 175.10 174.41 3ffk s HIS 232 N 1.55 3.08 -0.07 5.22 0.09 0.33 -4.98 115.29 120.50 3ffk s HIS 232 Ca 0.05 -0.92 -0.11 0.00 -0.00 0.00 0.00 55.06 54.07 3ffk s HIS 232 Cb -0.16 -2.19 -0.05 0.00 -0.00 0.00 0.00 32.58 30.18 3ffk s HIS 232 CO 0.02 -0.54 0.28 0.14 -0.00 0.00 0.00 174.74 174.63 3ffk s VAL 233 N 1.50 5.27 0.24 -0.90 -7.23 -1.26 -0.84 120.40 117.17 3ffk s VAL 233 Ca 0.04 0.53 -0.15 0.00 -1.81 0.00 0.00 61.98 60.58 3ffk s VAL 233 Cb -0.16 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.22 3ffk s VAL 233 CO 0.00 0.58 0.53 -0.94 -0.31 0.00 0.00 175.10 174.96 3ffk s SER 234 N -0.88 -0.16 0.00 4.85 1.04 -0.26 -4.95 113.70 113.34 3ffk s SER 234 Ca 0.19 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3ffk s SER 234 Cb -0.14 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3ffk s SER 234 CO 0.08 -1.16 0.00 -1.84 0.98 0.00 0.00 173.24 171.31 3ffk n GLU 235 N -0.38 0.00 -1.94 4.02 0.28 -1.26 -3.53 120.64 117.82 3ffk n GLU 235 Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.53 3ffk n GLU 235 Cb 0.61 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.46 3ffk n GLU 235 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3ffk s GLU 236 N 1.14 3.99 0.00 3.44 2.12 -1.26 -2.45 118.70 125.68 3ffk s GLU 236 Ca 0.00 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.45 3ffk s GLU 236 Cb 0.00 -4.06 0.00 0.00 0.26 0.00 0.00 34.13 30.33 3ffk s GLU 236 CO 0.00 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.05 3ffk n GLY 237 N 4.47 0.84 0.14 -1.50 0.00 -1.26 -4.89 105.19 102.99 3ffk n GLY 237 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 3ffk n GLY 237 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ffk n THR 238 N -2.00 1.10 -2.20 2.61 -2.24 -1.03 -5.07 114.28 105.45 3ffk n THR 238 Ca 0.00 -1.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.09 3ffk n THR 238 Cb 0.00 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 3ffk n THR 238 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ffk s GLU 239 N -1.55 4.38 0.64 -0.78 1.03 -1.23 -4.59 118.70 116.59 3ffk s GLU 239 Ca 0.15 2.07 -0.15 0.00 0.03 0.00 0.00 54.97 57.07 3ffk s GLU 239 Cb 0.13 -3.20 -0.01 0.00 -0.80 0.00 0.00 34.13 30.25 3ffk s GLU 239 CO 0.01 -0.28 1.08 -2.14 -1.33 0.00 0.00 175.26 172.60 3ffk s PRO 240 N 0.01 3.02 0.30 -4.83 0.02 -1.26 -4.81 135.00 127.45 3ffk s PRO 240 Ca 0.58 1.24 0.06 0.00 0.02 0.00 0.00 61.00 62.89 3ffk s PRO 240 Cb -0.37 -1.99 0.72 0.00 0.02 0.00 0.00 34.50 32.89 3ffk s PRO 240 CO 0.38 -1.06 1.79 0.93 -0.33 0.00 0.00 177.00 178.71 3ffk h GLU 241 N 0.05 0.77 -0.44 5.54 4.39 -1.98 -0.54 114.58 122.37 3ffk h GLU 241 Ca -0.46 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.24 3ffk h GLU 241 Cb 1.23 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.66 3ffk h GLU 241 CO 0.56 0.51 0.18 0.00 -1.16 0.00 0.00 179.01 179.10 3ffk h ALA 242 N 1.63 0.54 -0.48 3.43 0.00 -1.98 0.17 119.26 122.57 3ffk h ALA 242 Ca 0.56 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.47 3ffk h ALA 242 Cb 0.84 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ffk h ALA 242 CO -0.35 -0.20 0.13 1.98 0.00 0.00 0.00 179.25 180.80 3ffk h MET 243 N 0.37 0.76 0.00 0.00 1.85 -1.50 -2.22 114.93 114.19 3ffk h MET 243 Ca 0.20 -0.18 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3ffk h MET 243 Cb 0.17 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.10 3ffk h MET 243 CO -0.19 0.73 -0.02 -0.07 -0.40 0.00 0.00 176.91 176.97 3ffk h LEU 244 N 0.64 0.00 0.00 3.39 3.38 -0.90 -2.36 115.31 119.47 3ffk h LEU 244 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ffk h LEU 244 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ffk h LEU 244 CO -0.00 0.02 -0.53 1.67 0.09 0.00 0.00 178.44 179.69 3ffk n GLN 245 N -3.15 0.21 -0.08 1.13 7.27 0.57 -2.36 117.38 120.96 3ffk n GLN 245 Ca -0.01 0.07 -0.19 0.00 0.07 0.00 0.00 57.00 56.94 3ffk n GLN 245 Cb 0.24 -1.64 -0.12 0.00 2.41 0.00 0.00 30.24 31.13 3ffk n GLN 245 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3ffk h VAL 246 N 0.00 1.20 -0.00 1.69 2.07 -1.15 -3.41 116.25 116.64 3ffk h VAL 246 Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3ffk h VAL 246 Cb 0.68 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3ffk h VAL 246 CO 0.00 0.44 -0.61 0.18 0.02 0.00 0.00 177.57 177.60 3ffk n LEU 247 N -4.44 0.86 0.00 2.57 4.77 -0.92 -5.04 117.00 114.80 3ffk n LEU 247 Ca -0.25 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3ffk n LEU 247 Cb 0.64 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ffk n LEU 247 CO 0.26 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3ffk n GLY 248 N 1.47 -2.94 3.72 -0.72 0.00 -0.99 -4.43 105.19 101.30 3ffk n GLY 248 Ca 0.06 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 3ffk n GLY 248 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ffk s PRO 249 N -0.91 2.14 -0.33 1.61 0.02 -1.26 -4.69 135.00 131.59 3ffk s PRO 249 Ca 0.00 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 3ffk s PRO 249 Cb 0.00 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.69 3ffk s PRO 249 CO 0.00 -1.84 1.45 0.21 -0.33 0.00 0.00 177.00 176.50 3ffk s LYS 250 N -3.89 3.71 0.00 5.54 2.36 -1.26 -5.02 119.74 121.18 3ffk s LYS 250 Ca 0.75 1.23 0.00 0.00 -2.55 0.00 0.00 55.97 55.40 3ffk s LYS 250 Cb -0.30 -4.00 0.00 0.00 -1.05 0.00 0.00 37.83 32.49 3ffk s LYS 250 CO 0.45 -1.39 0.00 -0.35 1.55 0.00 0.00 175.35 175.61 3ffk n PRO 251 N 7.78 0.94 -1.53 4.03 -0.04 -1.26 -5.08 135.00 139.83 3ffk n PRO 251 Ca 0.17 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.30 3ffk n PRO 251 Cb 0.47 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.00 3ffk n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ffk s ALA 252 N -2.64 2.27 0.01 0.55 0.00 -1.26 -5.07 121.76 115.62 3ffk s ALA 252 Ca 0.00 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3ffk s ALA 252 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3ffk s ALA 252 CO 0.00 -1.61 -0.08 -0.51 0.00 0.00 0.00 175.76 173.56 3ffk s LEU 253 N -5.19 2.09 0.72 0.00 1.02 -1.26 -5.03 118.68 111.04 3ffk s LEU 253 Ca 0.68 -0.27 -0.13 0.00 0.02 0.00 0.00 54.13 54.43 3ffk s LEU 253 Cb -0.23 -0.37 0.03 0.00 0.02 0.00 0.00 46.19 45.65 3ffk s LEU 253 CO 0.45 0.02 1.12 -2.16 0.02 0.00 0.00 176.35 175.80 3ffk s PRO 254 N -0.62 2.45 0.21 1.29 0.04 -1.26 -4.78 135.00 132.33 3ffk s PRO 254 Ca -0.00 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 3ffk s PRO 254 Cb -0.05 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.72 3ffk s PRO 254 CO 0.00 -1.52 1.72 0.00 0.04 0.00 0.00 177.00 177.25 3ffk h ALA 255 N -0.49 0.97 0.00 8.56 0.00 -1.96 -1.52 119.26 124.82 3ffk h ALA 255 Ca -0.46 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ffk h ALA 255 Cb 1.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ffk h ALA 255 CO 0.52 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3ffk n GLY 256 N -0.68 1.66 7.00 0.00 0.00 -1.26 -2.23 105.19 109.68 3ffk n GLY 256 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3ffk n GLY 256 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ffk n THR 257 N -0.15 0.00 -4.53 2.61 -1.04 -1.26 -4.81 114.28 105.10 3ffk n THR 257 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 3ffk n THR 257 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 3ffk n THR 257 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3ffk s GLU 258 N 0.00 1.83 -0.27 -2.82 -1.05 -1.26 -4.85 118.70 110.29 3ffk s GLU 258 Ca 0.00 -1.93 -0.19 0.00 -0.15 0.00 0.00 54.97 52.71 3ffk s GLU 258 Cb 0.00 -1.72 -0.02 0.00 -0.44 0.00 0.00 34.13 31.95 3ffk s GLU 258 CO 0.00 0.15 0.56 -0.51 0.95 0.00 0.00 175.26 176.41 3ffk s ASP 259 N -3.61 6.48 0.68 0.83 1.11 -1.26 -5.06 116.67 115.84 3ffk s ASP 259 Ca 0.33 0.55 -0.09 0.00 0.18 0.00 0.00 52.55 53.52 3ffk s ASP 259 Cb 0.02 -2.30 0.03 0.00 1.07 0.00 0.00 42.92 41.74 3ffk s ASP 259 CO 0.17 -0.34 1.02 0.42 1.18 0.00 0.00 175.17 177.62 3ffk s THR 260 N 2.41 3.15 0.39 -1.27 -4.23 -1.26 -4.58 115.64 110.24 3ffk s THR 260 Ca 0.23 0.12 0.12 0.00 -1.18 0.00 0.00 61.69 60.99 3ffk s THR 260 Cb -0.15 -3.33 0.12 0.00 1.34 0.00 0.00 72.50 70.48 3ffk s THR 260 CO 0.09 -0.38 1.87 0.00 -0.54 0.00 0.00 174.62 175.66 3ffk h ALA 261 N -0.53 1.45 -0.21 3.99 0.00 -1.99 -2.36 119.26 119.62 3ffk h ALA 261 Ca -0.45 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 53.97 3ffk h ALA 261 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ffk h ALA 261 CO 0.62 0.41 -0.67 0.87 0.00 0.00 0.00 179.25 180.48 3ffk h LYS 262 N 0.04 0.79 -0.29 0.00 1.57 -1.99 -2.57 116.57 114.11 3ffk h LYS 262 Ca 0.00 -0.58 -0.04 0.00 -1.87 0.00 0.00 60.65 58.17 3ffk h LYS 262 Cb 0.56 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3ffk h LYS 262 CO 0.04 1.20 0.01 1.49 -0.57 0.00 0.00 179.45 181.62 3ffk h GLU 263 N 0.57 0.44 -0.32 3.15 4.81 -1.86 -0.71 114.58 120.66 3ffk h GLU 263 Ca -0.02 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3ffk h GLU 263 Cb 1.28 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3ffk h GLU 263 CO 0.14 0.46 0.12 -0.44 -0.73 0.00 0.00 179.01 178.56 3ffk h ASP 264 N 0.43 0.45 -0.88 1.04 3.32 -1.41 -2.77 116.42 116.60 3ffk h ASP 264 Ca 0.10 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.01 3ffk h ASP 264 Cb 0.27 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3ffk h ASP 264 CO 0.01 0.52 0.56 0.00 -1.72 0.00 0.00 179.24 178.60 3ffk h ALA 265 N 0.96 1.20 -0.27 3.45 0.00 -0.76 -1.33 119.26 122.50 3ffk h ALA 265 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ffk h ALA 265 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ffk h ALA 265 CO -0.01 0.35 -0.28 0.00 0.00 0.00 0.00 179.25 179.32 3ffk h ALA 266 N 1.39 1.01 -0.35 0.00 0.00 -1.21 -2.67 119.26 117.42 3ffk h ALA 266 Ca 0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ffk h ALA 266 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ffk h ALA 266 CO -0.15 0.59 -0.01 -0.91 0.00 0.00 0.00 179.25 178.77 3ffk h ASN 267 N 0.48 0.53 0.49 0.00 -0.26 -1.01 -1.67 115.58 114.12 3ffk h ASN 267 Ca 0.06 -0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 3ffk h ASN 267 Cb 0.73 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3ffk h ASN 267 CO 0.06 0.60 0.00 0.03 -1.06 0.00 0.00 177.43 177.06 3ffk h ARG 268 N 0.53 0.00 0.00 0.81 2.47 -0.93 -2.65 114.38 114.61 3ffk h ARG 268 Ca 0.11 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3ffk h ARG 268 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3ffk h ARG 268 CO 0.01 0.00 -0.44 1.63 0.56 0.00 0.00 179.97 181.73 3ffk n LYS 269 N -2.58 1.52 0.20 0.04 4.76 -0.66 0.00 118.16 121.45 3ffk n LYS 269 Ca 0.00 -3.19 0.09 0.00 -2.87 0.00 0.00 58.31 52.35 3ffk n LYS 269 Cb 0.17 -1.58 0.22 0.00 -1.84 0.00 0.00 35.03 32.01 3ffk n LYS 269 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3ffk h LEU 270 N 0.87 0.00 -8.33 -0.35 3.38 -1.14 -3.48 115.31 106.26 3ffk h LEU 270 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3ffk h LEU 270 Cb 1.02 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 3ffk h LEU 270 CO 0.00 0.18 -0.62 0.00 0.09 0.00 0.00 178.44 178.09 3ffk s ALA 271 N -3.24 0.66 -0.04 1.53 0.00 -1.26 -4.82 121.76 114.58 3ffk s ALA 271 Ca 0.05 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.69 3ffk s ALA 271 Cb 0.07 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.90 3ffk s ALA 271 CO 0.67 -0.47 -0.05 0.15 0.00 0.00 0.00 175.76 176.07 3ffk s LYS 272 N -4.00 0.79 -0.20 0.00 1.02 -1.09 -4.35 119.74 111.92 3ffk s LYS 272 Ca 0.18 -0.13 -0.13 0.00 0.02 0.00 0.00 55.97 55.92 3ffk s LYS 272 Cb 0.07 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.55 3ffk s LYS 272 CO -0.02 -0.04 0.26 -1.17 -0.92 0.00 0.00 175.35 173.46 3ffk s LEU 273 N 0.74 4.18 0.13 3.17 2.96 -0.08 -1.50 118.68 128.27 3ffk s LEU 273 Ca -0.10 0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.24 3ffk s LEU 273 Cb -0.13 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3ffk s LEU 273 CO 0.00 0.05 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.65 3ffk s TYR 274 N 0.87 2.65 -0.17 5.38 2.02 0.31 -0.10 117.35 128.30 3ffk s TYR 274 Ca 0.13 -0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.58 3ffk s TYR 274 Cb -0.13 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3ffk s TYR 274 CO 0.04 0.44 -0.02 0.21 -1.57 0.00 0.00 175.55 174.66 3ffk s LYS 275 N -2.38 3.66 -0.30 -0.62 2.20 0.41 -1.26 119.74 121.46 3ffk s LYS 275 Ca 0.21 -0.51 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 3ffk s LYS 275 Cb -0.10 -2.99 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 3ffk s LYS 275 CO 0.13 0.15 0.09 0.08 -0.36 0.00 0.00 175.35 175.44 3ffk s VAL 276 N 0.62 4.04 -0.24 4.02 1.01 0.63 -1.33 120.40 129.15 3ffk s VAL 276 Ca -0.02 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 3ffk s VAL 276 Cb -0.14 -3.08 0.06 0.00 0.00 0.00 0.00 36.38 33.22 3ffk s VAL 276 CO 0.02 0.08 0.62 -0.55 0.00 0.00 0.00 175.10 175.27 3ffk s SER 277 N 1.51 -0.68 -0.27 3.32 0.15 -0.99 -1.97 113.70 114.77 3ffk s SER 277 Ca 0.03 1.27 0.11 0.00 0.70 0.00 0.00 55.95 58.06 3ffk s SER 277 Cb -0.17 1.26 0.58 0.00 -1.71 0.00 0.00 66.02 65.98 3ffk s SER 277 CO 0.03 -0.22 1.56 -0.46 1.20 0.00 0.00 173.24 175.35 3ffk n ASN 278 N 3.05 3.56 -0.23 5.45 0.23 -1.26 -0.92 115.26 125.15 3ffk n ASN 278 Ca -0.15 -3.38 0.10 0.00 -0.53 0.00 0.00 54.58 50.61 3ffk n ASN 278 Cb 0.56 -0.64 0.37 0.00 -2.08 0.00 0.00 39.78 37.99 3ffk n ASN 278 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3ffk h GLY 279 N 1.63 1.07 -3.53 4.83 0.00 -1.95 -2.32 103.07 102.79 3ffk h GLY 279 Ca 0.19 -0.30 -0.27 0.00 0.00 0.00 0.00 47.33 46.95 3ffk h GLY 279 CO 0.46 0.15 0.34 0.00 0.00 0.00 0.00 176.54 177.49 3ffk n ALA 280 N -2.44 4.59 0.00 3.60 0.00 -1.26 -4.94 120.51 120.06 3ffk n ALA 280 Ca 0.14 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.41 3ffk n ALA 280 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3ffk n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ffk n GLY 281 N -0.32 2.99 3.81 0.00 0.00 -0.87 -5.04 105.19 105.76 3ffk n GLY 281 Ca 0.41 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3ffk n GLY 281 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ffk s THR 282 N 0.00 4.56 -0.23 2.61 -1.32 -1.26 -4.97 115.64 115.02 3ffk s THR 282 Ca 0.00 -1.07 -0.29 0.00 -1.21 0.00 0.00 61.69 59.12 3ffk s THR 282 Cb 0.00 -3.34 -0.01 0.00 -1.51 0.00 0.00 72.50 67.64 3ffk s THR 282 CO 0.00 -0.12 1.43 -0.04 -2.21 0.00 0.00 174.62 173.68 3ffk s MET 283 N -3.16 3.94 -0.01 7.08 -1.94 -1.26 -4.09 119.30 119.85 3ffk s MET 283 Ca 0.31 1.53 0.02 0.00 -1.71 0.00 0.00 55.69 55.84 3ffk s MET 283 Cb -0.10 -3.92 -0.00 0.00 2.01 0.00 0.00 34.83 32.81 3ffk s MET 283 CO 0.24 -1.09 -0.08 -1.54 -0.01 0.00 0.00 175.02 172.53 3ffk s SER 284 N 3.20 0.98 -0.44 3.03 1.04 -0.10 -4.96 113.70 116.45 3ffk s SER 284 Ca 0.62 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 3ffk s SER 284 Cb -0.21 -0.15 0.11 0.00 0.10 0.00 0.00 66.02 65.86 3ffk s SER 284 CO 0.24 0.09 0.29 -0.69 0.98 0.00 0.00 173.24 174.15 3ffk s VAL 285 N -0.08 3.99 0.01 5.02 1.01 -1.26 -2.35 120.40 126.75 3ffk s VAL 285 Ca 0.01 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.26 3ffk s VAL 285 Cb -0.05 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3ffk s VAL 285 CO -0.00 -0.69 -0.02 -0.94 0.00 0.00 0.00 175.10 173.45 3ffk s SER 286 N 2.35 4.99 -0.40 3.32 1.04 -0.44 -4.93 113.70 119.63 3ffk s SER 286 Ca 0.05 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.16 3ffk s SER 286 Cb -0.25 -1.25 0.02 0.00 0.10 0.00 0.00 66.02 64.64 3ffk s SER 286 CO -0.01 0.27 0.95 -0.22 0.98 0.00 0.00 173.24 175.20 3ffk s LEU 287 N -1.63 3.97 -0.12 2.42 2.96 -1.26 -0.44 118.68 124.57 3ffk s LEU 287 Ca 0.20 0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 54.41 3ffk s LEU 287 Cb -0.11 -3.28 -0.15 0.00 0.50 0.00 0.00 46.19 43.15 3ffk s LEU 287 CO 0.11 -0.94 0.47 0.58 -1.32 0.00 0.00 176.35 175.25 3ffk h VAL 288 N 5.92 1.03 -3.23 1.68 2.07 -0.83 -3.48 116.25 119.40 3ffk h VAL 288 Ca -0.23 -1.74 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 3ffk h VAL 288 Cb 1.08 1.93 -0.23 0.00 -1.52 0.00 0.00 31.29 32.55 3ffk h VAL 288 CO 1.01 0.34 -0.41 0.00 0.02 0.00 0.00 177.57 178.53 3ffk s ALA 289 N -2.44 -0.56 -0.84 1.67 0.00 -0.99 -5.00 121.76 113.60 3ffk s ALA 289 Ca -0.11 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.25 3ffk s ALA 289 Cb -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.07 3ffk s ALA 289 CO 0.40 -0.18 0.79 -0.40 0.00 0.00 0.00 175.76 176.37 3ffk n ASP 290 N 2.03 1.75 -4.13 0.00 5.75 -1.26 -0.90 116.55 119.79 3ffk n ASP 290 Ca -0.18 -1.41 -0.30 0.00 -0.01 0.00 0.00 54.79 52.89 3ffk n ASP 290 Cb 0.57 -0.02 -0.17 0.00 -1.03 0.00 0.00 41.12 40.47 3ffk n ASP 290 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3ffk s GLU 291 N -0.65 2.58 0.34 0.11 2.12 -1.26 -4.53 118.70 117.40 3ffk s GLU 291 Ca 0.09 -0.70 0.07 0.00 0.36 0.00 0.00 54.97 54.79 3ffk s GLU 291 Cb 0.06 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 3ffk s GLU 291 CO 0.09 0.02 0.34 0.54 -0.54 0.00 0.00 175.26 175.71 3ffk s ASN 292 N 0.73 5.43 0.33 -1.70 2.20 0.10 -4.41 114.94 117.62 3ffk s ASN 292 Ca -0.11 -0.44 -0.29 0.00 -0.94 0.00 0.00 52.86 51.09 3ffk s ASN 292 Cb -0.16 -1.01 -0.11 0.00 -2.00 0.00 0.00 41.25 37.97 3ffk s ASN 292 CO 0.02 -0.38 1.46 -2.16 -2.94 0.00 0.00 177.10 173.10 3ffk s PRO 293 N -4.04 4.18 0.47 3.55 0.04 -1.26 -4.56 135.00 133.38 3ffk s PRO 293 Ca 0.42 2.46 -0.15 0.00 0.04 0.00 0.00 61.00 63.77 3ffk s PRO 293 Cb -0.07 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 3ffk s PRO 293 CO 0.28 -0.46 0.91 -0.06 0.04 0.00 0.00 177.00 177.70 3ffk s PHE 294 N -0.76 3.44 0.03 0.56 0.08 0.15 -4.68 117.98 116.80 3ffk s PHE 294 Ca 0.55 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.64 3ffk s PHE 294 Cb -0.45 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 3ffk s PHE 294 CO 0.55 -0.25 1.25 0.00 -0.10 0.00 0.00 175.22 176.67 3ffk s ALA 295 N -2.48 3.46 0.33 5.36 0.00 -1.26 -1.97 121.76 125.20 3ffk s ALA 295 Ca 0.57 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.37 3ffk s ALA 295 Cb -0.10 -3.49 0.58 0.00 0.00 0.00 0.00 23.12 20.11 3ffk s ALA 295 CO 0.29 -0.60 1.96 0.37 0.00 0.00 0.00 175.76 177.78 3ffk h GLN 296 N 7.12 0.81 0.00 0.00 4.15 -1.95 -1.76 115.11 123.48 3ffk h GLN 296 Ca -0.39 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.95 3ffk h GLN 296 Cb 1.20 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.72 3ffk h GLN 296 CO 0.85 0.59 0.00 0.41 -1.93 0.00 0.00 178.83 178.75 3ffk n GLY 297 N -1.28 -0.78 0.22 2.39 0.00 -1.26 -1.77 105.19 102.72 3ffk n GLY 297 Ca 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 3ffk n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffk h ALA 298 N 2.10 1.03 -0.75 4.61 0.00 -1.71 -3.38 119.26 121.16 3ffk h ALA 298 Ca 0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 54.91 54.13 3ffk h ALA 298 Cb 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3ffk h ALA 298 CO 0.00 0.59 1.07 -0.51 0.00 0.00 0.00 179.25 180.40 3ffk s LEU 299 N -8.51 3.26 0.22 0.00 1.02 -0.73 -4.96 118.68 108.98 3ffk s LEU 299 Ca -0.06 -1.18 -0.25 0.00 0.02 0.00 0.00 54.13 52.66 3ffk s LEU 299 Cb 0.13 -2.57 -0.09 0.00 0.02 0.00 0.00 46.19 43.69 3ffk s LEU 299 CO 0.79 -2.46 0.82 -0.54 0.02 0.00 0.00 176.35 174.98 3ffk s LYS 300 N 6.29 4.55 0.48 1.70 -0.14 -1.26 -4.97 119.74 126.38 3ffk s LYS 300 Ca 0.64 1.18 0.18 0.00 -1.36 0.00 0.00 55.97 56.61 3ffk s LYS 300 Cb -0.03 -3.11 1.19 0.00 -1.68 0.00 0.00 37.83 34.20 3ffk s LYS 300 CO 0.01 0.48 2.05 0.77 -0.76 0.00 0.00 175.35 177.90 3ffk h SER 301 N 3.91 0.00 1.24 2.83 0.02 -1.94 -3.09 113.55 116.52 3ffk h SER 301 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3ffk h SER 301 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3ffk h SER 301 CO 0.66 0.14 0.00 -0.33 -1.14 0.00 0.00 176.83 176.16 3ffk h GLU 302 N 0.00 0.00 -5.12 3.45 3.07 -1.88 -1.90 114.58 112.21 3ffk h GLU 302 Ca -0.00 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 3ffk h GLU 302 Cb 0.26 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.04 3ffk h GLU 302 CO 0.02 0.00 -0.51 -0.51 -1.40 0.00 0.00 179.01 176.61 3ffk s ASP 303 N -4.81 3.66 0.09 1.42 1.01 -1.17 -3.43 116.67 113.45 3ffk s ASP 303 Ca 0.07 -1.69 0.03 0.00 0.71 0.00 0.00 52.55 51.67 3ffk s ASP 303 Cb 0.10 0.57 -0.04 0.00 1.01 0.00 0.00 42.92 44.56 3ffk s ASP 303 CO 0.53 -0.91 0.11 0.00 0.21 0.00 0.00 175.17 175.11 3ffk s PHE 305 N -1.46 0.95 -0.10 0.00 0.40 0.97 -0.26 117.98 118.47 3ffk s PHE 305 Ca 0.30 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 3ffk s PHE 305 Cb -0.12 -0.53 0.02 0.00 0.51 0.00 0.00 43.02 42.90 3ffk s PHE 305 CO 0.23 -0.04 -0.11 0.42 0.70 0.00 0.00 175.22 176.42 3ffk s ILE 306 N -2.36 1.19 -0.33 0.64 1.01 -0.39 0.24 121.20 121.21 3ffk s ILE 306 Ca 0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 3ffk s ILE 306 Cb -0.03 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3ffk s ILE 306 CO -0.01 0.39 0.16 -0.22 0.00 0.00 0.00 174.94 175.26 3ffk s LEU 307 N 1.25 4.27 -0.29 2.97 1.98 -0.10 -0.53 118.68 128.23 3ffk s LEU 307 Ca -0.03 -0.66 -0.13 0.00 -2.89 0.00 0.00 54.13 50.42 3ffk s LEU 307 Cb -0.14 -2.00 -0.04 0.00 0.66 0.00 0.00 46.19 44.67 3ffk s LEU 307 CO -0.04 -0.25 0.30 -0.62 -1.89 0.00 0.00 176.35 173.85 3ffk s ASP 308 N 1.59 6.14 -0.38 3.68 3.68 -0.56 -0.90 116.67 129.93 3ffk s ASP 308 Ca 0.04 0.05 0.12 0.00 2.13 0.00 0.00 52.55 54.89 3ffk s ASP 308 Cb -0.18 -2.17 0.37 0.00 -1.45 0.00 0.00 42.92 39.49 3ffk s ASP 308 CO 0.06 -0.16 0.88 1.57 0.13 0.00 0.00 175.17 177.65 3ffk n HIS 309 N 5.23 -0.37 0.09 -5.34 -0.00 -0.55 -2.67 115.22 111.62 3ffk n HIS 309 Ca -0.11 -3.19 -0.16 0.00 0.46 0.00 0.00 57.72 54.73 3ffk n HIS 309 Cb 0.51 0.10 -0.11 0.00 -0.12 0.00 0.00 29.99 30.37 3ffk n HIS 309 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3ffk h GLY 310 N 2.94 0.39 -0.31 1.57 0.00 -1.89 0.11 103.07 105.88 3ffk h GLY 310 Ca 0.00 -0.86 0.29 0.00 0.00 0.00 0.00 47.33 46.76 3ffk h GLY 310 CO 0.40 0.76 0.64 0.07 0.00 0.00 0.00 176.54 178.40 3ffk h LYS 311 N 0.14 0.41 -0.16 4.80 -0.00 -1.94 1.33 116.57 121.15 3ffk h LYS 311 Ca -0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.50 3ffk h LYS 311 Cb 1.84 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.98 3ffk h LYS 311 CO 0.19 0.27 0.00 -3.47 -0.00 0.00 0.00 179.45 176.45 3ffk n ASP 312 N -4.82 1.63 -0.83 7.07 2.03 -1.12 -4.83 116.55 115.68 3ffk n ASP 312 Ca 0.28 -1.70 -0.07 0.00 0.52 0.00 0.00 54.79 53.82 3ffk n ASP 312 Cb 0.90 -0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 41.19 3ffk n ASP 312 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ffk n GLY 313 N 1.13 0.10 2.70 0.27 0.00 0.46 -4.84 105.19 105.00 3ffk n GLY 313 Ca 0.16 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3ffk n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffk s LYS 314 N -4.30 0.10 -0.09 1.61 1.02 0.35 -1.07 119.74 117.37 3ffk s LYS 314 Ca 0.00 0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.33 3ffk s LYS 314 Cb 0.00 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 3ffk s LYS 314 CO 0.00 -0.33 -0.21 0.42 -0.92 0.00 0.00 175.35 174.31 3ffk s ILE 315 N 2.12 1.80 -0.17 2.17 1.01 -0.25 -1.49 121.20 126.39 3ffk s ILE 315 Ca 0.05 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 3ffk s ILE 315 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3ffk s ILE 315 CO -0.04 0.50 -0.01 -0.36 0.00 0.00 0.00 174.94 175.03 3ffk s PHE 316 N 0.42 3.06 -0.28 3.97 0.08 -0.07 -1.22 117.98 123.94 3ffk s PHE 316 Ca -0.18 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 3ffk s PHE 316 Cb -0.17 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3ffk s PHE 316 CO 0.07 -0.05 0.22 0.08 -0.10 0.00 0.00 175.22 175.44 3ffk s VAL 317 N 0.49 5.29 -0.23 -0.44 1.01 0.10 -0.92 120.40 125.70 3ffk s VAL 317 Ca -0.02 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 3ffk s VAL 317 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3ffk s VAL 317 CO 0.02 0.23 0.04 0.86 0.00 0.00 0.00 175.10 176.26 3ffk s TRP 318 N 1.80 3.08 -0.33 5.22 -0.00 0.14 0.25 118.94 129.08 3ffk s TRP 318 Ca 0.08 -0.43 -0.07 0.00 -0.00 0.00 0.00 56.10 55.68 3ffk s TRP 318 Cb -0.16 -2.18 0.03 0.00 -0.00 0.00 0.00 33.47 31.16 3ffk s TRP 318 CO 0.11 -0.30 0.11 0.15 -0.00 0.00 0.00 176.95 177.01 3ffk s LYS 319 N 1.36 2.74 0.35 5.86 1.02 -0.34 -0.02 119.74 130.71 3ffk s LYS 319 Ca 0.05 -1.10 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 3ffk s LYS 319 Cb -0.15 -3.46 -0.10 0.00 -0.52 0.00 0.00 37.83 33.60 3ffk s LYS 319 CO 0.02 -0.62 1.27 0.20 -0.92 0.00 0.00 175.35 175.30 3ffk s GLY 320 N 1.44 2.97 0.00 -3.33 0.00 -0.59 -1.63 107.32 106.18 3ffk s GLY 320 Ca -0.00 1.18 0.01 0.00 0.00 0.00 0.00 44.72 45.90 3ffk s GLY 320 CO 0.03 1.79 0.95 0.58 0.00 0.00 0.00 173.10 176.45 3ffk n LYS 321 N 0.58 0.00 -0.03 2.90 2.85 -1.17 -0.68 118.16 122.61 3ffk n LYS 321 Ca 0.01 0.42 0.01 0.00 -1.05 0.00 0.00 58.31 57.71 3ffk n LYS 321 Cb 0.43 -1.50 0.03 0.00 -0.65 0.00 0.00 35.03 33.34 3ffk n LYS 321 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ffk n GLN 322 N -1.43 2.02 -2.00 -1.58 6.02 -0.72 -5.02 117.38 114.67 3ffk n GLN 322 Ca 0.00 -1.38 -0.41 0.00 -0.01 0.00 0.00 57.00 55.20 3ffk n GLN 322 Cb 0.01 -1.06 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 3ffk n GLN 322 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ffk s ALA 323 N -0.80 3.61 0.79 -1.58 0.00 0.14 -4.70 121.76 119.22 3ffk s ALA 323 Ca 0.05 1.36 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 3ffk s ALA 323 Cb 0.03 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.66 3ffk s ALA 323 CO 0.04 -0.77 1.10 0.54 0.00 0.00 0.00 175.76 176.67 3ffk s ASN 324 N 0.17 4.56 0.26 0.00 2.20 -1.26 -4.89 114.94 115.97 3ffk s ASN 324 Ca 0.57 1.27 -0.03 0.00 -0.94 0.00 0.00 52.86 53.73 3ffk s ASN 324 Cb -0.42 -2.00 0.31 0.00 -2.00 0.00 0.00 41.25 37.14 3ffk s ASN 324 CO 0.47 -1.92 1.80 0.00 -2.94 0.00 0.00 177.10 174.51 3ffk h THR 325 N -1.05 1.24 -0.73 0.54 1.03 -2.00 -2.21 112.91 109.72 3ffk h THR 325 Ca -0.47 -0.86 -0.01 0.00 -0.01 0.00 0.00 66.41 65.06 3ffk h THR 325 Cb 1.27 0.61 -0.04 0.00 -1.07 0.00 0.00 68.15 68.93 3ffk h THR 325 CO 0.60 0.33 0.40 -0.33 -0.01 0.00 0.00 175.52 176.50 3ffk h GLU 326 N 0.89 1.01 -0.75 0.00 3.07 -2.00 -2.04 114.58 114.77 3ffk h GLU 326 Ca 0.19 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 3ffk h GLU 326 Cb 0.31 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3ffk h GLU 326 CO -0.00 0.74 0.37 0.93 -1.40 0.00 0.00 179.01 179.65 3ffk h GLU 327 N 1.02 1.06 -0.03 2.33 5.08 -1.78 -1.57 114.58 120.68 3ffk h GLU 327 Ca 0.26 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3ffk h GLU 327 Cb 0.03 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3ffk h GLU 327 CO -0.04 0.82 0.01 0.00 -1.00 0.00 0.00 179.01 178.80 3ffk h ARG 328 N 1.04 0.05 -0.93 2.33 3.08 -1.13 -1.58 114.38 117.25 3ffk h ARG 328 Ca 0.26 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.32 3ffk h ARG 328 Cb 0.10 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.09 3ffk h ARG 328 CO -0.04 0.20 0.61 0.87 -1.07 0.00 0.00 179.97 180.55 3ffk h LYS 329 N -0.11 1.19 -0.00 0.04 1.57 -1.24 -2.50 116.57 115.51 3ffk h LYS 329 Ca 0.01 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3ffk h LYS 329 Cb 0.17 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3ffk h LYS 329 CO -0.00 0.79 -0.00 0.00 -0.57 0.00 0.00 179.45 179.66 3ffk h ALA 330 N 1.43 0.00 -0.97 3.86 0.00 -1.19 -2.72 119.26 119.68 3ffk h ALA 330 Ca 0.35 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3ffk h ALA 330 Cb -0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3ffk h ALA 330 CO -0.09 -0.23 0.62 0.00 0.00 0.00 0.00 179.25 179.55 3ffk h ALA 331 N 0.47 1.58 0.49 0.00 0.00 -1.20 0.29 119.26 120.89 3ffk h ALA 331 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ffk h ALA 331 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ffk h ALA 331 CO 0.00 0.19 -0.24 1.25 0.00 0.00 0.00 179.25 180.45 3ffk h LEU 332 N 0.94 -0.57 -0.18 0.00 7.12 -1.43 -1.13 115.31 120.07 3ffk h LEU 332 Ca 0.48 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.55 3ffk h LEU 332 Cb 0.50 0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 3ffk h LEU 332 CO -0.24 -0.40 -0.08 0.11 -0.13 0.00 0.00 178.44 177.69 3ffk h LYS 333 N -0.66 -0.06 -0.84 1.25 1.79 -1.03 -0.66 116.57 116.36 3ffk h LYS 333 Ca -0.07 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.44 3ffk h LYS 333 Cb 0.51 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.12 3ffk h LYS 333 CO 0.11 -0.04 0.54 1.15 -1.08 0.00 0.00 179.45 180.13 3ffk h THR 334 N -0.06 1.14 -0.16 -0.16 2.02 -0.36 0.50 112.91 115.83 3ffk h THR 334 Ca 0.10 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3ffk h THR 334 Cb 0.21 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3ffk h THR 334 CO -0.22 0.19 0.02 0.00 0.37 0.00 0.00 175.52 175.87 3ffk h ALA 335 N 1.35 0.21 0.00 6.16 0.00 -0.99 -2.48 119.26 123.51 3ffk h ALA 335 Ca 0.33 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ffk h ALA 335 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ffk h ALA 335 CO -0.11 -0.11 -0.44 0.66 0.00 0.00 0.00 179.25 179.24 3ffk h SER 336 N 0.03 0.00 -0.49 0.00 4.64 -0.28 -2.60 113.55 114.85 3ffk h SER 336 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3ffk h SER 336 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3ffk h SER 336 CO 0.00 0.44 0.31 0.44 -0.87 0.00 0.00 176.83 177.15 3ffk h ASP 337 N 0.00 0.57 -1.17 4.97 5.19 0.04 -3.16 116.42 122.87 3ffk h ASP 337 Ca -0.00 -0.04 0.39 0.00 -0.62 0.00 0.00 57.03 56.76 3ffk h ASP 337 Cb 0.91 -0.14 -0.14 0.00 0.18 0.00 0.00 39.33 40.14 3ffk h ASP 337 CO 0.06 0.44 0.72 -0.26 -3.12 0.00 0.00 179.24 177.08 3ffk h PHE 338 N 0.65 0.69 -0.15 4.55 0.04 -1.03 -2.32 116.94 119.37 3ffk h PHE 338 Ca 0.18 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.00 3ffk h PHE 338 Cb -0.04 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3ffk h PHE 338 CO -0.03 -0.23 0.01 0.82 -0.60 0.00 0.00 178.31 178.27 3ffk h ILE 339 N 0.15 0.91 0.19 -0.55 2.04 -1.67 -0.46 117.51 118.12 3ffk h ILE 339 Ca 0.79 -0.02 -0.31 0.00 1.00 0.00 0.00 64.86 66.31 3ffk h ILE 339 Cb 2.23 0.84 0.02 0.00 -0.74 0.00 0.00 36.82 39.16 3ffk h ILE 339 CO -0.52 0.01 -1.45 0.71 0.00 0.00 0.00 178.15 176.90 3ffk h THR 340 N 0.06 1.29 -0.29 -0.27 1.35 -1.66 0.13 112.91 113.52 3ffk h THR 340 Ca 0.07 -2.81 0.04 0.00 -0.55 0.00 0.00 66.41 63.16 3ffk h THR 340 Cb 0.08 2.94 -0.04 0.00 -1.73 0.00 0.00 68.15 69.39 3ffk h THR 340 CO -0.11 0.84 0.05 0.50 -0.25 0.00 0.00 175.52 176.55 3ffk h LYS 341 N 0.11 0.15 -0.69 4.72 1.63 -1.30 -2.30 116.57 118.89 3ffk h LYS 341 Ca -0.23 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 3ffk h LYS 341 Cb 2.08 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.67 3ffk h LYS 341 CO 0.22 0.10 0.00 -1.33 -3.45 0.00 0.00 179.45 174.99 3ffk n MET 342 N -5.10 2.64 -3.64 1.90 2.81 -0.19 -4.98 117.12 110.55 3ffk n MET 342 Ca -0.00 -2.54 -0.29 0.00 -1.81 0.00 0.00 57.70 53.06 3ffk n MET 342 Cb 0.13 -1.55 0.04 0.00 -0.71 0.00 0.00 33.22 31.13 3ffk n MET 342 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3ffk n ASP 343 N 1.58 -4.94 -4.90 7.83 2.03 -0.87 -4.99 116.55 112.30 3ffk n ASP 343 Ca 0.24 -0.97 -0.28 0.00 0.52 0.00 0.00 54.79 54.29 3ffk n ASP 343 Cb 0.60 -3.63 0.04 0.00 -0.72 0.00 0.00 41.12 37.41 3ffk n ASP 343 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3ffk s TYR 344 N -3.50 3.29 -0.01 -0.67 4.12 0.01 -4.97 117.35 115.63 3ffk s TYR 344 Ca 0.42 0.85 -0.34 0.00 0.02 0.00 0.00 57.07 58.02 3ffk s TYR 344 Cb -0.14 -2.90 -0.12 0.00 -1.52 0.00 0.00 41.96 37.28 3ffk s TYR 344 CO 0.84 -1.00 1.78 -2.30 0.02 0.00 0.00 175.55 174.89 3ffk n PRO 345 N -2.80 2.15 -1.75 -1.71 -0.02 -1.26 -4.83 135.00 124.78 3ffk n PRO 345 Ca 0.06 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.93 3ffk n PRO 345 Cb 0.57 -2.60 0.03 0.00 -0.02 0.00 0.00 33.50 31.48 3ffk n PRO 345 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3ffk n LYS 346 N 5.59 1.95 -0.84 -0.52 2.85 -1.26 -0.85 118.16 125.07 3ffk n LYS 346 Ca 0.21 0.71 0.00 0.00 -1.05 0.00 0.00 58.31 58.17 3ffk n LYS 346 Cb 0.29 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.06 3ffk n LYS 346 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3ffk n GLN 347 N -0.66 0.00 -1.98 -1.58 1.13 -1.26 -5.06 117.38 107.97 3ffk n GLN 347 Ca 0.08 0.22 -0.41 0.00 -1.94 0.00 0.00 57.00 54.95 3ffk n GLN 347 Cb 0.43 -2.96 -0.02 0.00 0.11 0.00 0.00 30.24 27.80 3ffk n GLN 347 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3ffk s THR 348 N -2.00 2.51 -0.26 5.09 2.01 -0.03 -5.00 115.64 117.96 3ffk s THR 348 Ca 0.00 0.46 -0.11 0.00 0.31 0.00 0.00 61.69 62.35 3ffk s THR 348 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 3ffk s THR 348 CO 0.00 0.09 0.21 -1.58 -0.69 0.00 0.00 174.62 172.65 3ffk s GLN 349 N -1.04 4.00 -0.32 4.92 2.00 -0.23 -4.97 119.66 124.03 3ffk s GLN 349 Ca 0.56 -0.25 -0.18 0.00 -2.00 0.00 0.00 55.36 53.49 3ffk s GLN 349 Cb -0.43 -3.62 -0.01 0.00 0.80 0.00 0.00 33.01 29.75 3ffk s GLN 349 CO 0.49 -0.11 0.52 0.08 -0.50 0.00 0.00 175.29 175.78 3ffk s VAL 350 N 1.55 5.03 -0.11 1.34 1.01 -1.26 -1.09 120.40 126.87 3ffk s VAL 350 Ca 0.08 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 3ffk s VAL 350 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3ffk s VAL 350 CO 0.09 -0.11 0.06 -0.44 0.00 0.00 0.00 175.10 174.69 3ffk s SER 351 N 1.69 5.69 -0.22 3.32 0.01 -0.35 -4.98 113.70 118.85 3ffk s SER 351 Ca 0.20 0.24 -0.08 0.00 1.31 0.00 0.00 55.95 57.62 3ffk s SER 351 Cb -0.15 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 3ffk s SER 351 CO 0.12 0.35 0.09 0.68 0.41 0.00 0.00 173.24 174.90 3ffk s VAL 352 N -0.72 4.75 -0.17 3.43 -7.23 -1.26 0.00 120.40 119.20 3ffk s VAL 352 Ca 0.12 -0.03 -0.02 0.00 -1.81 0.00 0.00 61.98 60.24 3ffk s VAL 352 Cb -0.12 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.62 3ffk s VAL 352 CO 0.03 0.38 -0.10 -0.76 -0.31 0.00 0.00 175.10 174.33 3ffk s LEU 353 N 1.07 2.78 0.24 1.32 1.43 0.14 -4.96 118.68 120.70 3ffk s LEU 353 Ca 0.05 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.56 3ffk s LEU 353 Cb -0.14 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 3ffk s LEU 353 CO 0.04 0.09 0.81 -2.16 0.23 0.00 0.00 176.35 175.36 3ffk s PRO 354 N 0.79 4.45 -0.39 1.29 0.04 -1.26 -1.20 135.00 138.73 3ffk s PRO 354 Ca -0.04 1.09 -0.44 0.00 0.04 0.00 0.00 61.00 61.66 3ffk s PRO 354 Cb -0.15 -2.97 -0.18 0.00 0.04 0.00 0.00 34.50 31.24 3ffk s PRO 354 CO 0.01 0.41 1.64 -1.91 0.04 0.00 0.00 177.00 177.19 3ffk n GLU 355 N 0.93 0.49 -0.05 4.56 2.13 -0.65 0.12 120.64 128.17 3ffk n GLU 355 Ca -0.02 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3ffk n GLU 355 Cb 0.50 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.45 3ffk n GLU 355 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ffk n GLY 356 N 3.99 0.91 1.54 8.31 0.00 -1.26 -4.90 105.19 113.77 3ffk n GLY 356 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 3ffk n GLY 356 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffk n GLY 357 N -2.00 5.01 3.74 -0.02 0.00 0.34 -5.05 105.19 107.21 3ffk n GLY 357 Ca 0.00 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3ffk n GLY 357 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffk s GLU 358 N -3.34 4.36 0.40 1.61 8.01 -1.26 -4.61 118.70 123.88 3ffk s GLU 358 Ca 0.49 2.11 0.00 0.00 0.01 0.00 0.00 54.97 57.58 3ffk s GLU 358 Cb 0.43 -3.17 -0.02 0.00 -4.31 0.00 0.00 34.13 27.06 3ffk s GLU 358 CO 0.02 -0.28 0.62 0.95 0.01 0.00 0.00 175.26 176.58 3ffk s THR 359 N 0.04 4.59 0.27 3.63 -4.23 -1.26 -4.94 115.64 113.74 3ffk s THR 359 Ca 0.57 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3ffk s THR 359 Cb -0.38 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 69.80 3ffk s THR 359 CO 0.40 -0.48 1.67 -0.65 -0.54 0.00 0.00 174.62 175.01 3ffk h PRO 360 N 0.55 0.40 0.00 3.99 0.11 -1.95 -1.11 132.00 133.99 3ffk h PRO 360 Ca -0.48 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.44 3ffk h PRO 360 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3ffk h PRO 360 CO 0.59 0.72 0.00 1.28 -0.21 0.00 0.00 178.00 180.39 3ffk n LEU 361 N -4.04 0.00 -0.10 2.35 4.77 -1.26 -1.64 117.00 117.08 3ffk n LEU 361 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 3ffk n LEU 361 Cb 0.48 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 3ffk n LEU 361 CO 0.43 0.00 -1.03 0.33 -1.33 0.00 0.00 177.39 175.79 3ffk n PHE 362 N -0.97 0.00 0.29 -1.77 7.35 -0.85 -4.65 117.46 116.86 3ffk n PHE 362 Ca 0.18 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.05 3ffk n PHE 362 Cb 0.08 -0.67 0.97 0.00 0.35 0.00 0.00 39.48 40.22 3ffk n PHE 362 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3ffk h LYS 363 N -0.80 0.00 0.00 -4.13 1.57 -1.02 -2.19 116.57 109.99 3ffk h LYS 363 Ca -0.38 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3ffk h LYS 363 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3ffk h LYS 363 CO -0.23 0.00 -0.00 -0.56 -0.57 0.00 0.00 179.45 178.09 3ffk h GLN 364 N 0.00 0.00 -0.01 3.15 3.07 -1.57 -2.16 115.11 117.59 3ffk h GLN 364 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 3ffk h GLN 364 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.66 3ffk h GLN 364 CO -0.00 0.00 -0.06 1.19 0.09 0.00 0.00 178.83 180.05 3ffk n PHE 365 N -3.19 0.00 -4.15 0.06 3.01 -0.82 -4.88 117.46 107.50 3ffk n PHE 365 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 3ffk n PHE 365 Cb 0.09 -0.05 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 3ffk n PHE 365 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3ffk s PHE 366 N -2.15 2.98 -0.11 1.38 0.40 -0.81 0.34 117.98 120.00 3ffk s PHE 366 Ca 0.35 -0.07 -0.25 0.00 -0.60 0.00 0.00 56.93 56.36 3ffk s PHE 366 Cb 0.21 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 3ffk s PHE 366 CO 0.39 0.51 0.79 0.21 0.70 0.00 0.00 175.22 177.83 3ffk s LYS 367 N -2.90 4.38 -0.87 0.44 2.20 -0.83 -4.54 119.74 117.62 3ffk s LYS 367 Ca 0.29 1.00 -0.04 0.00 -0.36 0.00 0.00 55.97 56.85 3ffk s LYS 367 Cb -0.10 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3ffk s LYS 367 CO 0.20 -0.15 0.61 0.09 -0.36 0.00 0.00 175.35 175.75 3ffk n ASN 368 N 4.53 -4.84 -4.76 1.43 4.13 -1.26 -4.65 115.26 109.84 3ffk n ASN 368 Ca 0.02 -0.99 -0.39 0.00 1.68 0.00 0.00 54.58 54.91 3ffk n ASN 368 Cb 0.50 -1.76 0.01 0.00 -1.54 0.00 0.00 39.78 36.99 3ffk n ASN 368 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 3ffk s TRP 369 N -3.05 2.65 -0.04 3.10 -0.11 -1.26 -5.00 118.94 115.23 3ffk s TRP 369 Ca 0.05 1.40 0.01 0.00 1.22 0.00 0.00 56.10 58.79 3ffk s TRP 369 Cb -0.03 -3.69 0.02 0.00 -1.50 0.00 0.00 33.47 28.27 3ffk s TRP 369 CO 0.90 -2.31 -0.04 1.03 -4.62 0.00 0.00 176.95 171.91 3ffk s ARG 370 N -2.51 0.74 -0.37 5.86 0.52 -1.26 -5.12 118.95 116.81 3ffk s ARG 370 Ca 0.62 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.75 3ffk s ARG 370 Cb -0.38 -0.76 0.11 0.00 0.52 0.00 0.00 34.95 34.44 3ffk s ARG 370 CO 0.47 -0.07 0.14 0.16 0.02 0.00 0.00 175.30 176.02 3ffk s ASP 371 N 0.84 4.04 0.00 0.23 -4.77 -1.26 -5.16 116.67 110.60 3ffk s ASP 371 Ca -0.11 -2.11 0.00 0.00 -3.30 0.00 0.00 52.55 47.03 3ffk s ASP 371 Cb -0.14 -1.08 0.00 0.00 -1.09 0.00 0.00 42.92 40.61 3ffk s ASP 371 CO 0.00 -0.35 0.00 -2.65 0.70 0.00 0.00 175.17 172.87