#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufk s TRP 2 N 0.00 2.22 0.03 3.17 0.52 0.63 -0.35 118.94 125.16 1ufk s TRP 2 Ca 0.00 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1ufk s TRP 2 Cb 0.00 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1ufk s TRP 2 CO 0.00 0.31 -0.08 0.54 0.02 0.00 0.00 176.95 177.74 1ufk s VAL 3 N -1.08 3.51 -0.29 4.03 0.11 0.10 -0.61 120.40 126.18 1ufk s VAL 3 Ca 0.13 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1ufk s VAL 3 Cb -0.10 -2.55 0.07 0.00 -1.53 0.00 0.00 36.38 32.27 1ufk s VAL 3 CO 0.06 0.33 -0.03 -0.47 -3.33 0.00 0.00 175.10 171.65 1ufk s TYR 4 N -1.04 3.36 -0.15 1.54 5.04 0.86 -0.73 117.35 126.23 1ufk s TYR 4 Ca 0.18 -2.30 -0.15 0.00 -2.44 0.00 0.00 57.07 52.36 1ufk s TYR 4 Cb -0.11 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 1ufk s TYR 4 CO 0.09 -0.87 0.36 1.03 -1.34 0.00 0.00 175.55 174.81 1ufk s ARG 5 N 1.12 4.27 -0.03 4.97 0.52 0.14 -1.22 118.95 128.72 1ufk s ARG 5 Ca -0.04 0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.44 1ufk s ARG 5 Cb -0.20 -3.44 -0.01 0.00 0.52 0.00 0.00 34.95 31.82 1ufk s ARG 5 CO -0.04 0.18 -0.20 -0.51 0.02 0.00 0.00 175.30 174.75 1ufk s LEU 6 N 0.63 2.01 0.20 2.53 1.43 0.01 -1.09 118.68 124.40 1ufk s LEU 6 Ca 0.20 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1ufk s LEU 6 Cb -0.14 -1.05 -0.08 0.00 0.03 0.00 0.00 46.19 44.96 1ufk s LEU 6 CO 0.06 0.22 1.02 -0.75 0.23 0.00 0.00 176.35 177.13 1ufk s LYS 7 N -0.29 4.71 0.00 1.70 2.47 -1.26 -0.53 119.74 126.53 1ufk s LYS 7 Ca 0.03 1.60 0.00 0.00 -1.56 0.00 0.00 55.97 56.04 1ufk s LYS 7 Cb -0.09 -3.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1ufk s LYS 7 CO 0.00 0.28 0.00 0.41 0.16 0.00 0.00 175.35 176.20 1ufk n GLY 8 N 1.76 3.09 3.90 5.54 0.00 0.17 -4.83 105.19 114.83 1ufk n GLY 8 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 1ufk n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ufk s THR 9 N -2.34 4.78 0.22 2.61 -4.23 -1.26 -3.11 115.64 112.32 1ufk s THR 9 Ca 0.00 0.23 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1ufk s THR 9 Cb 0.00 -3.83 0.19 0.00 1.34 0.00 0.00 72.50 70.20 1ufk s THR 9 CO 0.00 -0.84 1.89 -0.07 -0.54 0.00 0.00 174.62 175.06 1ufk h LEU 10 N 0.15 0.93 -0.77 4.79 3.38 -1.97 0.73 115.31 122.55 1ufk h LEU 10 Ca -0.47 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1ufk h LEU 10 Cb 1.21 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1ufk h LEU 10 CO 0.62 0.66 0.48 -0.08 0.09 0.00 0.00 178.44 180.21 1ufk h GLU 11 N 1.10 0.90 -0.15 1.13 4.81 -2.00 -0.45 114.58 119.92 1ufk h GLU 11 Ca 0.32 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.31 1ufk h GLU 11 Cb -0.08 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 1ufk h GLU 11 CO -0.08 0.60 -0.67 0.00 -0.73 0.00 0.00 179.01 178.13 1ufk h ALA 12 N 1.33 0.56 -0.12 2.92 0.00 -1.71 -3.18 119.26 119.06 1ufk h ALA 12 Ca 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ufk h ALA 12 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ufk h ALA 12 CO -0.12 0.71 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1ufk n LEU 13 N -3.91 1.61 -0.32 0.00 4.77 0.17 -4.41 117.00 114.90 1ufk n LEU 13 Ca -0.05 -0.63 0.20 0.00 -0.03 0.00 0.00 56.01 55.50 1ufk n LEU 13 Cb 0.68 -0.07 0.38 0.00 -2.33 0.00 0.00 43.42 42.08 1ufk n LEU 13 CO 0.49 0.32 0.93 -0.78 -1.33 0.00 0.00 177.39 177.02 1ufk h ASP 14 N 2.25 -0.07 -0.11 -1.43 3.58 -1.07 0.13 116.42 119.70 1ufk h ASP 14 Ca 0.00 0.25 0.03 0.00 0.42 0.00 0.00 57.03 57.73 1ufk h ASP 14 Cb 0.49 0.35 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 1ufk h ASP 14 CO 0.00 -0.31 0.14 -0.65 -2.88 0.00 0.00 179.24 175.53 1ufk h PRO 15 N 0.08 0.00 -0.02 0.28 0.11 -1.86 -2.70 132.00 127.89 1ufk h PRO 15 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1ufk h PRO 15 Cb 1.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.62 1ufk h PRO 15 CO -0.79 0.00 -0.07 0.44 -0.21 0.00 0.00 178.00 177.37 1ufk n ILE 16 N -3.74 0.00 -0.18 4.15 -5.35 0.43 -4.59 119.36 110.08 1ufk n ILE 16 Ca -0.00 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 61.95 1ufk n ILE 16 Cb 0.24 1.25 0.04 0.00 -1.74 0.00 0.00 39.64 39.43 1ufk n ILE 16 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1ufk h LEU 17 N 2.36 0.57 -1.43 7.28 3.38 -1.31 -1.29 115.31 124.87 1ufk h LEU 17 Ca 0.00 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1ufk h LEU 17 Cb 0.54 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1ufk h LEU 17 CO 0.00 0.41 0.48 -0.65 0.09 0.00 0.00 178.44 178.77 1ufk h PRO 18 N 0.69 0.62 -0.64 1.13 0.11 -1.81 -0.18 132.00 131.91 1ufk h PRO 18 Ca 0.21 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1ufk h PRO 18 Cb -0.03 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.91 1ufk h PRO 18 CO -0.07 0.41 0.20 0.78 -0.21 0.00 0.00 178.00 179.11 1ufk h GLY 19 N 0.64 1.08 0.95 -0.55 0.00 -1.55 0.64 103.07 104.28 1ufk h GLY 19 Ca 0.34 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1ufk h GLY 19 CO -0.12 0.60 0.12 1.41 0.00 0.00 0.00 176.54 178.55 1ufk h LEU 20 N 0.93 0.66 -0.41 3.11 3.38 -0.36 0.06 115.31 122.67 1ufk h LEU 20 Ca 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ufk h LEU 20 Cb 0.29 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ufk h LEU 20 CO -0.01 0.70 0.16 -0.26 0.09 0.00 0.00 178.44 179.13 1ufk h PHE 21 N 0.58 0.63 -0.12 1.13 0.05 -0.86 -1.34 116.94 117.01 1ufk h PHE 21 Ca 0.14 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.83 1ufk h PHE 21 Cb 0.29 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 38.04 1ufk h PHE 21 CO 0.02 0.56 -0.14 -0.44 -0.18 0.00 0.00 178.31 178.13 1ufk h ASP 22 N 0.52 0.17 0.27 2.17 3.32 -0.77 0.17 116.42 122.28 1ufk h ASP 22 Ca 0.14 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ufk h ASP 22 Cb 0.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ufk h ASP 22 CO -0.01 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.46 1ufk n GLY 23 N -0.91 -0.77 0.00 2.75 0.00 -0.00 -4.85 105.19 101.41 1ufk n GLY 23 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ufk n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ufk n GLY 24 N 0.04 1.07 3.74 -0.02 0.00 0.60 -4.95 105.19 105.67 1ufk n GLY 24 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1ufk n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufk s ALA 25 N -2.00 3.69 -0.03 4.61 0.00 -0.62 -4.69 121.76 122.72 1ufk s ALA 25 Ca 0.00 1.36 0.16 0.00 0.00 0.00 0.00 51.96 53.48 1ufk s ALA 25 Cb 0.00 -3.59 -0.24 0.00 0.00 0.00 0.00 23.12 19.29 1ufk s ALA 25 CO 0.00 -0.77 0.32 0.54 0.00 0.00 0.00 175.76 175.84 1ufk n ARG 26 N 2.93 0.58 -3.99 0.00 5.12 0.38 -4.68 116.66 117.01 1ufk n ARG 26 Ca 0.09 -0.13 -0.09 0.00 -1.93 0.00 0.00 57.85 55.80 1ufk n ARG 26 Cb 0.39 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 1ufk n ARG 26 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ufk s GLY 27 N -3.90 0.26 -0.06 -0.13 0.00 -1.19 -4.99 107.32 97.30 1ufk s GLY 27 Ca -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.92 1ufk s GLY 27 CO 0.65 -0.79 0.16 1.08 0.00 0.00 0.00 173.10 174.20 1ufk s LEU 28 N -1.95 1.14 -0.07 0.66 1.43 -1.26 -0.35 118.68 118.28 1ufk s LEU 28 Ca -0.08 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1ufk s LEU 28 Cb -0.04 0.51 0.03 0.00 0.03 0.00 0.00 46.19 46.73 1ufk s LEU 28 CO -0.04 -0.09 0.16 0.26 0.23 0.00 0.00 176.35 176.88 1ufk s TRP 29 N 0.47 -0.19 -0.21 0.29 0.52 -0.38 -4.99 118.94 114.45 1ufk s TRP 29 Ca -0.03 0.50 -0.19 0.00 0.02 0.00 0.00 56.10 56.40 1ufk s TRP 29 Cb -0.05 -0.00 -0.03 0.00 -1.15 0.00 0.00 33.47 32.24 1ufk s TRP 29 CO -0.02 -0.14 0.54 -2.00 0.02 0.00 0.00 176.95 175.35 1ufk s GLU 30 N 0.73 4.17 -0.22 4.98 2.12 -1.26 -0.90 118.70 128.31 1ufk s GLU 30 Ca -0.05 0.44 -0.02 0.00 0.36 0.00 0.00 54.97 55.70 1ufk s GLU 30 Cb -0.07 -3.59 0.07 0.00 0.26 0.00 0.00 34.13 30.80 1ufk s GLU 30 CO -0.04 -0.22 0.03 0.50 -0.54 0.00 0.00 175.26 174.99 1ufk s ARG 31 N 1.86 0.84 -0.86 4.30 3.52 0.12 -4.95 118.95 123.77 1ufk s ARG 31 Ca 0.24 -0.62 -0.04 0.00 -0.13 0.00 0.00 55.73 55.18 1ufk s ARG 31 Cb -0.16 -2.18 0.01 0.00 -1.56 0.00 0.00 34.95 31.06 1ufk s ARG 31 CO 0.10 -0.68 0.60 0.39 -0.81 0.00 0.00 175.30 174.89 1ufk n GLU 32 N 4.95 -1.37 -1.10 5.12 1.02 -1.26 -1.42 120.64 126.58 1ufk n GLU 32 Ca -0.09 0.65 -0.04 0.00 -0.02 0.00 0.00 57.16 57.67 1ufk n GLU 32 Cb 0.46 -2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 1ufk n GLU 32 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ufk n GLY 33 N -1.69 0.58 3.13 0.62 0.00 -1.26 -4.99 105.19 101.58 1ufk n GLY 33 Ca -0.30 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 1ufk n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufk s GLU 34 N -1.62 0.73 -0.15 1.61 2.02 -0.51 0.46 118.70 121.24 1ufk s GLU 34 Ca 0.00 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 53.90 1ufk s GLU 34 Cb 0.00 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.96 1ufk s GLU 34 CO 0.00 0.02 -0.19 0.08 0.02 0.00 0.00 175.26 175.19 1ufk s VAL 35 N -2.66 2.30 -0.22 2.63 1.01 0.31 0.12 120.40 123.89 1ufk s VAL 35 Ca 0.03 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ufk s VAL 35 Cb -0.01 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1ufk s VAL 35 CO -0.02 0.53 0.02 0.26 0.00 0.00 0.00 175.10 175.89 1ufk s TRP 36 N 0.86 3.05 -0.15 5.22 0.52 -0.08 -0.81 118.94 127.56 1ufk s TRP 36 Ca -0.05 -0.48 -0.02 0.00 0.02 0.00 0.00 56.10 55.57 1ufk s TRP 36 Cb -0.15 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 1ufk s TRP 36 CO -0.02 -0.29 -0.07 0.00 0.02 0.00 0.00 176.95 176.58 1ufk s ALA 37 N 1.20 2.84 -0.18 0.98 0.00 -0.36 -1.24 121.76 125.00 1ufk s ALA 37 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 1ufk s ALA 37 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1ufk s ALA 37 CO 0.02 0.21 0.06 -0.06 0.00 0.00 0.00 175.76 175.99 1ufk s PHE 38 N 0.38 3.26 0.20 0.00 0.40 0.53 -0.10 117.98 122.64 1ufk s PHE 38 Ca -0.07 0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.39 1ufk s PHE 38 Cb -0.15 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1ufk s PHE 38 CO 0.04 0.16 -0.07 -0.06 0.70 0.00 0.00 175.22 175.99 1ufk s PHE 39 N 0.36 1.50 0.16 0.36 0.40 0.22 -0.47 117.98 120.50 1ufk s PHE 39 Ca 0.03 -0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 55.47 1ufk s PHE 39 Cb -0.12 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.63 1ufk s PHE 39 CO -0.00 0.10 1.58 -1.35 0.70 0.00 0.00 175.22 176.25 1ufk h PRO 40 N 2.59 0.95 -3.43 0.24 0.11 -1.84 0.18 132.00 130.81 1ufk h PRO 40 Ca -0.38 -0.34 -0.05 0.00 0.11 0.00 0.00 66.00 65.34 1ufk h PRO 40 Cb 1.21 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.13 1ufk h PRO 40 CO 0.64 1.01 -0.09 0.00 -0.21 0.00 0.00 178.00 179.35 1ufk s ALA 41 N -4.88 -0.84 0.45 -0.75 0.00 -1.26 -4.04 121.76 110.44 1ufk s ALA 41 Ca -0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1ufk s ALA 41 Cb 0.12 0.71 -0.08 0.00 0.00 0.00 0.00 23.12 23.88 1ufk s ALA 41 CO 0.85 -0.66 1.36 -2.14 0.00 0.00 0.00 175.76 175.17 1ufk s PRO 42 N -3.83 3.72 0.12 0.00 0.02 -1.26 -4.93 135.00 128.84 1ufk s PRO 42 Ca 0.05 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.37 1ufk s PRO 42 Cb 0.02 -2.63 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 1ufk s PRO 42 CO -0.10 -0.74 -0.10 0.14 -0.33 0.00 0.00 177.00 175.88 1ufk s VAL 43 N -1.25 1.01 -0.20 3.83 -7.23 -1.26 -5.10 120.40 110.19 1ufk s VAL 43 Ca 0.61 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 58.60 1ufk s VAL 43 Cb -0.40 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1ufk s VAL 43 CO 0.51 -0.70 1.51 -0.62 -0.31 0.00 0.00 175.10 175.49 1ufk s ASP 44 N -2.89 6.56 -0.01 4.85 2.15 -1.26 -4.99 116.67 121.08 1ufk s ASP 44 Ca 0.12 1.64 0.04 0.00 0.43 0.00 0.00 52.55 54.79 1ufk s ASP 44 Cb 0.01 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1ufk s ASP 44 CO -0.01 -1.11 -0.14 -0.76 -0.17 0.00 0.00 175.17 172.99 1ufk s LEU 45 N 4.64 2.03 0.00 -1.34 1.43 -1.26 -5.05 118.68 119.13 1ufk s LEU 45 Ca 0.66 -0.26 0.14 0.00 -1.03 0.00 0.00 54.13 53.64 1ufk s LEU 45 Cb -0.24 -0.72 0.45 0.00 0.03 0.00 0.00 46.19 45.71 1ufk s LEU 45 CO 0.26 0.17 1.35 -0.81 0.23 0.00 0.00 176.35 177.55 1ufk n PRO 46 N 2.70 1.78 0.00 1.29 -0.04 -1.26 -4.25 135.00 135.22 1ufk n PRO 46 Ca -0.14 -1.19 0.15 0.00 -0.04 0.00 0.00 63.50 62.27 1ufk n PRO 46 Cb 0.55 -1.31 0.75 0.00 -0.04 0.00 0.00 33.50 33.46 1ufk n PRO 46 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ufk n TYR 47 N 0.45 0.00 -3.45 0.54 4.02 -1.26 -4.92 117.16 112.54 1ufk n TYR 47 Ca 0.13 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.82 1ufk n TYR 47 Cb 0.30 -0.18 0.07 0.00 -0.02 0.00 0.00 39.34 39.52 1ufk n TYR 47 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ufk n GLU 48 N -1.07 -6.95 -2.81 -0.72 1.02 -1.26 -5.02 120.64 103.83 1ufk n GLU 48 Ca 0.17 0.74 -0.22 0.00 -0.02 0.00 0.00 57.16 57.83 1ufk n GLU 48 Cb 0.22 -5.51 0.09 0.00 -0.02 0.00 0.00 31.44 26.22 1ufk n GLU 48 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ufk s GLY 49 N -3.41 1.74 -0.10 0.62 0.00 -1.26 -4.96 107.32 99.95 1ufk s GLY 49 Ca 0.45 -1.96 0.03 0.00 0.00 0.00 0.00 44.72 43.24 1ufk s GLY 49 CO 0.65 -1.43 -0.20 0.54 0.00 0.00 0.00 173.10 172.66 1ufk s VAL 50 N -2.93 2.48 0.22 1.40 0.11 -0.25 -4.89 120.40 116.55 1ufk s VAL 50 Ca 0.65 -0.88 -0.20 0.00 -2.93 0.00 0.00 61.98 58.61 1ufk s VAL 50 Cb -0.05 -1.98 -0.08 0.00 -1.53 0.00 0.00 36.38 32.74 1ufk s VAL 50 CO 0.42 0.55 0.73 0.26 -3.33 0.00 0.00 175.10 173.73 1ufk s TRP 51 N 0.13 3.66 -0.28 1.54 0.52 -1.26 -0.69 118.94 122.57 1ufk s TRP 51 Ca -0.10 1.40 -0.17 0.00 0.02 0.00 0.00 56.10 57.25 1ufk s TRP 51 Cb -0.16 -2.63 0.08 0.00 -1.15 0.00 0.00 33.47 29.62 1ufk s TRP 51 CO 0.06 0.35 0.70 -2.00 0.02 0.00 0.00 176.95 176.07 1ufk s GLU 52 N -1.93 0.72 0.37 4.98 2.12 0.09 -4.99 118.70 120.07 1ufk s GLU 52 Ca 0.43 1.19 -0.27 0.00 0.36 0.00 0.00 54.97 56.68 1ufk s GLU 52 Cb -0.17 0.17 -0.09 0.00 0.26 0.00 0.00 34.13 34.30 1ufk s GLU 52 CO 0.21 -0.14 1.26 -2.00 -0.54 0.00 0.00 175.26 174.05 1ufk s GLU 53 N 1.49 4.15 0.09 4.30 2.12 -1.26 0.01 118.70 129.60 1ufk s GLU 53 Ca -0.09 2.08 -0.22 0.00 0.36 0.00 0.00 54.97 57.10 1ufk s GLU 53 Cb -0.05 -2.86 -0.07 0.00 0.26 0.00 0.00 34.13 31.41 1ufk s GLU 53 CO -0.18 -0.31 0.66 0.08 -0.54 0.00 0.00 175.26 174.97 1ufk s VAL 54 N -1.25 4.65 0.43 3.70 1.01 0.53 -4.82 120.40 124.64 1ufk s VAL 54 Ca 0.54 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.97 1ufk s VAL 54 Cb -0.36 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 1ufk s VAL 54 CO 0.47 0.50 0.10 -0.83 0.00 0.00 0.00 175.10 175.35 1ufk s GLY 55 N -0.86 2.67 0.34 4.51 0.00 -1.26 -4.58 107.32 108.14 1ufk s GLY 55 Ca 0.32 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.99 1ufk s GLY 55 CO 0.21 -1.90 1.88 -0.55 0.00 0.00 0.00 173.10 172.75 1ufk h ASP 56 N 1.71 0.74 -0.67 1.64 3.32 -2.00 -1.15 116.42 120.02 1ufk h ASP 56 Ca -0.37 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 1ufk h ASP 56 Cb 1.28 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1ufk h ASP 56 CO 0.61 0.41 0.31 -0.08 -1.72 0.00 0.00 179.24 178.77 1ufk h GLU 57 N 0.80 1.00 -0.72 3.56 4.81 -1.99 -0.62 114.58 121.41 1ufk h GLU 57 Ca 0.43 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1ufk h GLU 57 Cb 0.53 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1ufk h GLU 57 CO -0.19 0.78 0.28 -0.44 -0.73 0.00 0.00 179.01 178.72 1ufk h ASP 58 N 0.99 1.00 -0.64 1.04 3.32 -1.62 -1.16 116.42 119.34 1ufk h ASP 58 Ca 0.24 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1ufk h ASP 58 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1ufk h ASP 58 CO -0.03 0.90 0.27 -0.50 -1.72 0.00 0.00 179.24 178.17 1ufk h TRP 59 N 1.03 0.96 -0.03 4.55 4.06 -0.96 -1.68 115.95 123.88 1ufk h TRP 59 Ca 0.24 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1ufk h TRP 59 Cb 0.22 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 28.09 1ufk h TRP 59 CO 0.02 0.74 0.02 -0.07 -3.56 0.00 0.00 178.44 175.59 1ufk h LEU 60 N 0.89 0.03 -0.84 -4.49 3.38 -0.68 -1.05 115.31 112.55 1ufk h LEU 60 Ca 0.22 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1ufk h LEU 60 Cb 0.18 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1ufk h LEU 60 CO -0.02 0.05 0.55 -0.08 0.09 0.00 0.00 178.44 179.02 1ufk h GLU 61 N 0.01 1.05 -0.10 1.13 4.57 -1.06 -0.14 114.58 120.04 1ufk h GLU 61 Ca 0.01 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ufk h GLU 61 Cb 0.02 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 1ufk h GLU 61 CO -0.00 0.69 0.04 0.00 -1.18 0.00 0.00 179.01 178.57 1ufk h ALA 62 N 1.34 0.13 -0.27 2.92 0.00 -1.05 -0.76 119.26 121.57 1ufk h ALA 62 Ca 0.33 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1ufk h ALA 62 Cb -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1ufk h ALA 62 CO -0.10 -0.30 0.01 2.35 0.00 0.00 0.00 179.25 181.21 1ufk h TRP 63 N 0.02 0.01 -0.93 0.00 7.01 -0.86 -2.01 115.95 119.20 1ufk h TRP 63 Ca 0.03 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.13 1ufk h TRP 63 Cb 0.14 0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.17 1ufk h TRP 63 CO -0.03 -0.03 0.58 0.00 -2.79 0.00 0.00 178.44 176.18 1ufk h ARG 64 N 0.10 1.00 -0.06 2.65 3.08 -0.78 -0.69 114.38 119.70 1ufk h ARG 64 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1ufk h ARG 64 Cb 0.16 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ufk h ARG 64 CO -0.20 0.66 -0.05 0.00 -1.07 0.00 0.00 179.97 179.32 1ufk h ARG 65 N 1.03 0.08 0.00 0.04 2.47 -0.41 -2.25 114.38 115.34 1ufk h ARG 65 Ca 0.41 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1ufk h ARG 65 Cb 0.22 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1ufk h ARG 65 CO -0.19 0.13 -0.15 -3.47 0.56 0.00 0.00 179.97 176.85 1ufk n ASP 66 N -4.44 0.35 -4.77 7.04 4.64 -0.29 -4.91 116.55 114.18 1ufk n ASP 66 Ca -0.02 0.35 -0.40 0.00 -1.38 0.00 0.00 54.79 53.34 1ufk n ASP 66 Cb 0.16 -0.37 -0.00 0.00 -1.04 0.00 0.00 41.12 39.86 1ufk n ASP 66 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1ufk s LEU 67 N -3.48 4.23 0.14 -2.67 1.43 -0.85 -5.04 118.68 112.44 1ufk s LEU 67 Ca 0.12 2.77 0.06 0.00 -1.03 0.00 0.00 54.13 56.05 1ufk s LEU 67 Cb 0.17 -3.85 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1ufk s LEU 67 CO 0.59 -0.89 -0.13 -0.54 0.23 0.00 0.00 176.35 175.62 1ufk s LYS 68 N -2.22 1.06 0.41 1.70 1.02 -1.26 -5.02 119.74 115.44 1ufk s LYS 68 Ca 0.56 -1.35 -0.23 0.00 0.02 0.00 0.00 55.97 54.97 1ufk s LYS 68 Cb -0.41 -0.82 -0.12 0.00 -0.52 0.00 0.00 37.83 35.97 1ufk s LYS 68 CO 0.53 0.14 0.74 -2.30 -0.92 0.00 0.00 175.35 173.54 1ufk n PRO 69 N 0.18 0.87 -4.05 -1.68 -0.02 -1.26 -4.93 135.00 124.10 1ufk n PRO 69 Ca -0.13 0.31 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 1ufk n PRO 69 Cb 0.59 -1.71 -0.16 0.00 -0.02 0.00 0.00 33.50 32.19 1ufk n PRO 69 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ufk s ALA 70 N -1.37 1.99 0.45 3.55 0.00 -0.05 -4.96 121.76 121.37 1ufk s ALA 70 Ca 0.64 -0.99 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 1ufk s ALA 70 Cb -0.60 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 1ufk s ALA 70 CO 0.57 -0.37 1.10 -0.51 0.00 0.00 0.00 175.76 176.55 1ufk s LEU 71 N 1.43 3.99 -0.44 0.00 1.43 -1.26 0.05 118.68 123.88 1ufk s LEU 71 Ca 0.05 2.13 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1ufk s LEU 71 Cb -0.13 -4.32 0.24 0.00 0.03 0.00 0.00 46.19 42.00 1ufk s LEU 71 CO -0.11 -0.79 0.97 0.00 0.23 0.00 0.00 176.35 176.65 1ufk n ALA 72 N -0.54 -2.25 -1.41 4.21 0.00 -0.25 -4.87 120.51 115.40 1ufk n ALA 72 Ca 0.07 -0.93 -0.51 0.00 0.00 0.00 0.00 53.44 52.07 1ufk n ALA 72 Cb 0.50 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1ufk n ALA 72 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ufk n PRO 73 N 1.92 0.00 -0.06 0.00 -0.02 -1.26 -0.39 135.00 135.19 1ufk n PRO 73 Ca 0.09 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1ufk n PRO 73 Cb 0.64 -1.14 0.14 0.00 -0.02 0.00 0.00 33.50 33.11 1ufk n PRO 73 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ufk n PRO 74 N 1.14 1.30 -3.05 0.52 -0.05 -1.26 -3.99 135.00 129.62 1ufk n PRO 74 Ca 0.18 -0.47 -0.17 0.00 -0.05 0.00 0.00 63.50 62.99 1ufk n PRO 74 Cb 0.19 -1.15 0.01 0.00 -0.05 0.00 0.00 33.50 32.51 1ufk n PRO 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1ufk s PHE 75 N -1.84 2.82 -0.05 0.54 0.40 0.48 -1.01 117.98 119.32 1ufk s PHE 75 Ca 0.13 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1ufk s PHE 75 Cb 0.07 -2.36 0.02 0.00 0.51 0.00 0.00 43.02 41.26 1ufk s PHE 75 CO 0.09 -0.39 -0.04 0.54 0.70 0.00 0.00 175.22 176.12 1ufk s VAL 76 N -2.34 0.54 -0.24 -0.44 0.11 0.14 -1.09 120.40 117.07 1ufk s VAL 76 Ca 0.54 -0.11 -0.17 0.00 -2.93 0.00 0.00 61.98 59.31 1ufk s VAL 76 Cb -0.10 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1ufk s VAL 76 CO 0.33 0.23 0.47 -0.69 -3.33 0.00 0.00 175.10 172.11 1ufk s VAL 77 N 1.00 5.12 0.07 2.04 1.01 0.11 -0.85 120.40 128.89 1ufk s VAL 77 Ca -0.10 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1ufk s VAL 77 Cb -0.14 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1ufk s VAL 77 CO -0.00 0.15 -0.21 -0.76 0.00 0.00 0.00 175.10 174.27 1ufk s LEU 78 N 1.96 2.48 0.54 3.92 1.43 0.04 -0.87 118.68 128.18 1ufk s LEU 78 Ca 0.20 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1ufk s LEU 78 Cb -0.15 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.58 1ufk s LEU 78 CO 0.09 0.23 1.02 0.00 0.23 0.00 0.00 176.35 177.92 1ufk s ALA 79 N -0.95 2.91 0.58 4.21 0.00 -1.26 -0.95 121.76 126.30 1ufk s ALA 79 Ca 0.14 0.31 0.30 0.00 0.00 0.00 0.00 51.96 52.71 1ufk s ALA 79 Cb -0.10 -3.18 1.42 0.00 0.00 0.00 0.00 23.12 21.26 1ufk s ALA 79 CO 0.05 -0.48 1.81 -1.35 0.00 0.00 0.00 175.76 175.80 1ufk h PRO 80 N 0.78 0.00 -0.48 0.00 0.11 -1.92 0.20 132.00 130.68 1ufk h PRO 80 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ufk h PRO 80 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ufk h PRO 80 CO 0.60 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.72 1ufk n TRP 81 N -3.78 0.63 -3.01 0.65 2.14 -1.26 -4.96 117.44 107.85 1ufk n TRP 81 Ca 0.14 -0.31 -0.32 0.00 2.07 0.00 0.00 57.50 59.08 1ufk n TRP 81 Cb 0.89 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.34 1ufk n TRP 81 CO 0.00 0.00 0.00 -1.01 2.07 0.00 0.00 177.69 178.75 1ufk s HIS 82 N -1.37 3.41 0.09 -2.67 3.76 0.71 -5.08 115.29 114.13 1ufk s HIS 82 Ca 0.41 1.15 0.08 0.00 -0.15 0.00 0.00 55.06 56.56 1ufk s HIS 82 Cb 0.23 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1ufk s HIS 82 CO 0.32 0.00 -0.19 -0.08 -0.85 0.00 0.00 174.74 173.94 1ufk s THR 83 N -2.15 2.76 -0.08 1.30 -1.32 -1.26 -4.87 115.64 110.00 1ufk s THR 83 Ca 0.53 -1.39 -0.04 0.00 -1.21 0.00 0.00 61.69 59.58 1ufk s THR 83 Cb -0.10 -2.21 0.04 0.00 -1.51 0.00 0.00 72.50 68.71 1ufk s THR 83 CO 0.23 0.20 0.19 0.86 -2.21 0.00 0.00 174.62 173.89 1ufk s TRP 84 N -1.04 -0.24 -0.66 9.09 -0.11 -1.26 -5.01 118.94 119.72 1ufk s TRP 84 Ca 0.16 0.61 0.21 0.00 1.22 0.00 0.00 56.10 58.31 1ufk s TRP 84 Cb -0.10 -0.02 -0.27 0.00 -1.50 0.00 0.00 33.47 31.58 1ufk s TRP 84 CO 0.08 -0.19 0.75 -0.85 -4.62 0.00 0.00 176.95 172.11 1ufk n GLU 85 N 4.18 0.26 -0.53 5.86 -0.00 -1.26 -5.03 120.64 124.13 1ufk n GLU 85 Ca -0.26 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.16 56.68 1ufk n GLU 85 Cb 0.52 -1.50 0.13 0.00 -0.00 0.00 0.00 31.44 30.60 1ufk n GLU 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ufk n GLY 86 N 1.42 -2.67 0.06 -1.84 0.00 -1.26 -5.00 105.19 95.90 1ufk n GLY 86 Ca 0.01 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.68 1ufk n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufk n ALA 87 N -3.99 2.86 -1.47 4.61 0.00 -1.26 -4.97 120.51 116.28 1ufk n ALA 87 Ca -0.11 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 1ufk n ALA 87 Cb 0.31 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1ufk n ALA 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1ufk s GLU 88 N -3.35 2.32 -0.08 0.00 1.03 -1.26 -4.93 118.70 112.44 1ufk s GLU 88 Ca -0.01 1.82 -0.30 0.00 0.03 0.00 0.00 54.97 56.51 1ufk s GLU 88 Cb 0.12 -1.85 -0.04 0.00 -0.80 0.00 0.00 34.13 31.56 1ufk s GLU 88 CO 0.82 -1.71 1.43 0.42 -1.33 0.00 0.00 175.26 174.89 1ufk s ILE 89 N -1.84 3.88 0.21 1.83 1.01 -0.18 -4.68 121.20 121.44 1ufk s ILE 89 Ca 0.76 1.14 -0.30 0.00 0.00 0.00 0.00 60.65 62.25 1ufk s ILE 89 Cb -0.31 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1ufk s ILE 89 CO 0.43 -0.07 1.28 -2.84 0.00 0.00 0.00 174.94 173.74 1ufk s PRO 90 N 3.29 4.41 -0.31 2.79 0.02 -1.26 -0.69 135.00 143.26 1ufk s PRO 90 Ca 0.63 2.02 -0.00 0.00 0.02 0.00 0.00 61.00 63.67 1ufk s PRO 90 Cb -0.28 -3.19 0.10 0.00 0.02 0.00 0.00 34.50 31.14 1ufk s PRO 90 CO 0.23 -0.20 0.09 -0.51 -0.33 0.00 0.00 177.00 176.28 1ufk s LEU 91 N -0.30 2.42 -0.35 -5.54 1.02 -0.03 -4.89 118.68 111.00 1ufk s LEU 91 Ca 0.55 -1.65 -0.22 0.00 0.02 0.00 0.00 54.13 52.83 1ufk s LEU 91 Cb -0.36 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 44.93 1ufk s LEU 91 CO 0.39 -0.41 0.71 -0.69 0.02 0.00 0.00 176.35 176.38 1ufk s VAL 92 N 1.56 4.81 -0.06 -1.59 1.01 -1.26 -0.78 120.40 124.10 1ufk s VAL 92 Ca 0.09 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.88 1ufk s VAL 92 Cb -0.17 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1ufk s VAL 92 CO -0.23 -0.36 -0.17 -0.63 0.00 0.00 0.00 175.10 173.71 1ufk s ILE 93 N 2.90 1.49 -0.05 2.22 -1.09 -0.12 -4.72 121.20 121.82 1ufk s ILE 93 Ca 0.28 -0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 57.68 1ufk s ILE 93 Cb -0.14 -1.29 -0.06 0.00 -1.58 0.00 0.00 42.46 39.39 1ufk s ILE 93 CO 0.15 0.43 1.70 -0.70 -1.23 0.00 0.00 174.94 175.29 1ufk s GLU 94 N 0.20 4.15 -0.49 2.79 -6.30 -1.26 -4.23 118.70 113.56 1ufk s GLU 94 Ca -0.08 2.22 -0.41 0.00 -2.50 0.00 0.00 54.97 54.21 1ufk s GLU 94 Cb -0.13 -4.01 -0.17 0.00 0.00 0.00 0.00 34.13 29.81 1ufk s GLU 94 CO 0.03 -0.89 2.20 -2.30 0.02 0.00 0.00 175.26 174.32 1ufk n PRO 95 N 7.21 0.30 -0.87 4.30 -0.02 -1.26 -5.07 135.00 139.59 1ufk n PRO 95 Ca 0.18 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1ufk n PRO 95 Cb 0.43 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 1ufk n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ufk n GLY 102 N 7.16 0.56 0.02 -1.23 0.00 -1.26 -5.17 105.19 105.27 1ufk n GLY 102 Ca 0.52 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.57 1ufk n GLY 102 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ufk n HIS 103 N -2.87 0.20 -2.57 1.61 8.25 -1.26 -4.75 115.22 113.83 1ufk n HIS 103 Ca 0.00 0.06 -0.37 0.00 -0.26 0.00 0.00 57.72 57.14 1ufk n HIS 103 Cb 0.00 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 1ufk n HIS 103 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1ufk s HIS 104 N -3.11 3.42 0.21 4.41 2.46 -1.26 -4.95 115.29 116.48 1ufk s HIS 104 Ca 0.07 1.69 -0.10 0.00 0.47 0.00 0.00 55.06 57.18 1ufk s HIS 104 Cb 0.15 -3.12 0.17 0.00 -0.13 0.00 0.00 32.58 29.65 1ufk s HIS 104 CO 0.76 -0.44 1.86 0.93 -2.47 0.00 0.00 174.74 175.38 1ufk h GLU 105 N 2.93 0.88 -0.67 2.88 3.07 -1.92 -2.22 114.58 119.53 1ufk h GLU 105 Ca -0.48 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.27 1ufk h GLU 105 Cb 1.21 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.89 1ufk h GLU 105 CO 0.64 0.58 0.16 1.79 -1.40 0.00 0.00 179.01 180.78 1ufk h THR 106 N 0.90 1.26 -0.64 1.13 1.35 -1.92 -0.75 112.91 114.23 1ufk h THR 106 Ca 0.27 -0.94 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 1ufk h THR 106 Cb -0.04 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 66.92 1ufk h THR 106 CO -0.09 0.36 0.14 0.74 -0.25 0.00 0.00 175.52 176.43 1ufk h THR 107 N 1.01 1.25 -0.32 6.82 2.02 -1.87 -0.61 112.91 121.21 1ufk h THR 107 Ca 0.21 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1ufk h THR 107 Cb 0.36 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1ufk h THR 107 CO 0.00 0.36 0.11 0.03 0.37 0.00 0.00 175.52 176.38 1ufk h ARG 108 N 0.97 0.49 -0.59 6.66 3.08 -0.94 -1.35 114.38 122.70 1ufk h ARG 108 Ca 0.20 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1ufk h ARG 108 Cb 0.36 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 1ufk h ARG 108 CO 0.00 0.52 0.38 -0.07 -1.07 0.00 0.00 179.97 179.73 1ufk h LEU 109 N 0.36 0.64 -0.47 3.04 3.38 -0.73 -2.09 115.31 119.43 1ufk h LEU 109 Ca 0.10 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ufk h LEU 109 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ufk h LEU 109 CO -0.00 0.45 0.14 0.00 0.09 0.00 0.00 178.44 179.12 1ufk h ALA 110 N 1.23 0.62 -0.74 1.53 0.00 -1.00 -0.55 119.26 120.35 1ufk h ALA 110 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ufk h ALA 110 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ufk h ALA 110 CO -0.07 0.28 0.30 -0.07 0.00 0.00 0.00 179.25 179.70 1ufk h LEU 111 N 0.63 1.01 -0.10 0.00 3.38 -1.06 0.28 115.31 119.45 1ufk h LEU 111 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ufk h LEU 111 Cb 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ufk h LEU 111 CO -0.00 0.90 0.01 0.50 0.09 0.00 0.00 178.44 179.94 1ufk h LYS 112 N 1.06 0.17 -0.69 1.13 3.64 -1.18 -2.27 116.57 118.43 1ufk h LYS 112 Ca 0.25 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1ufk h LYS 112 Cb 0.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1ufk h LYS 112 CO -0.02 0.39 0.31 0.00 -2.27 0.00 0.00 179.45 177.86 1ufk h ALA 113 N 0.77 0.90 -0.36 5.00 0.00 -0.89 -2.87 119.26 121.81 1ufk h ALA 113 Ca 0.03 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1ufk h ALA 113 Cb 0.31 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1ufk h ALA 113 CO 0.00 0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 179.59 1ufk h LEU 114 N 0.97 -0.32 -1.70 0.00 3.38 -0.32 -0.36 115.31 116.96 1ufk h LEU 114 Ca 0.23 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.36 1ufk h LEU 114 Cb 0.16 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ufk h LEU 114 CO -0.02 -0.11 0.29 0.00 0.09 0.00 0.00 178.44 178.68 1ufk h ALA 115 N 1.36 1.93 0.03 1.53 0.00 -1.19 0.17 119.26 123.10 1ufk h ALA 115 Ca 0.17 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ufk h ALA 115 Cb 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ufk h ALA 115 CO -0.37 -0.01 -0.46 0.00 0.00 0.00 0.00 179.25 178.41 1ufk h ARG 116 N 0.37 0.25 0.00 0.00 3.08 -1.08 -3.38 114.38 113.63 1ufk h ARG 116 Ca 0.19 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ufk h ARG 116 Cb 0.27 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1ufk h ARG 116 CO -0.04 1.06 -0.73 0.45 -1.07 0.00 0.00 179.97 179.64 1ufk h HIS 117 N -0.41 0.00 -3.24 3.04 3.86 -0.90 -3.46 115.15 114.03 1ufk h HIS 117 Ca -0.07 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.57 1ufk h HIS 117 Cb 1.25 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.68 1ufk h HIS 117 CO 0.19 0.00 -0.05 -1.17 0.86 0.00 0.00 177.93 177.76 1ufk s LEU 118 N -5.36 4.49 0.16 2.43 2.96 0.58 -5.01 118.68 118.94 1ufk s LEU 118 Ca 0.02 1.22 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 1ufk s LEU 118 Cb 0.09 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1ufk s LEU 118 CO 0.75 0.25 -0.18 -0.13 -1.32 0.00 0.00 176.35 175.71 1ufk s ARG 119 N -1.26 1.26 0.20 1.98 0.52 -1.26 -4.85 118.95 115.53 1ufk s ARG 119 Ca 0.30 -1.39 -0.33 0.00 -0.52 0.00 0.00 55.73 53.80 1ufk s ARG 119 Cb -0.19 -1.33 -0.14 0.00 0.52 0.00 0.00 34.95 33.82 1ufk s ARG 119 CO 0.19 0.27 1.48 -2.30 0.02 0.00 0.00 175.30 174.96 1ufk n PRO 120 N 0.34 2.04 -0.10 3.54 -0.02 -1.26 -1.64 135.00 137.89 1ufk n PRO 120 Ca -0.14 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ufk n PRO 120 Cb 0.57 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1ufk n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ufk n GLY 121 N 2.72 1.04 3.78 -1.23 0.00 0.40 -4.95 105.19 106.95 1ufk n GLY 121 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1ufk n GLY 121 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ufk s ASP 122 N -2.84 6.51 -0.19 1.61 1.01 -0.65 -4.77 116.67 117.35 1ufk s ASP 122 Ca 0.00 2.11 -0.15 0.00 0.71 0.00 0.00 52.55 55.22 1ufk s ASP 122 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1ufk s ASP 122 CO 0.00 -0.67 0.33 -0.54 0.21 0.00 0.00 175.17 174.51 1ufk s LYS 123 N -2.66 4.19 -0.00 8.23 1.02 -1.26 -0.56 119.74 128.69 1ufk s LYS 123 Ca 0.61 0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.79 1ufk s LYS 123 Cb -0.23 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1ufk s LYS 123 CO 0.29 0.07 -0.25 0.08 -0.92 0.00 0.00 175.35 174.62 1ufk s VAL 124 N 0.99 2.20 -0.19 3.17 1.01 0.48 -0.92 120.40 127.13 1ufk s VAL 124 Ca 0.17 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ufk s VAL 124 Cb -0.14 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ufk s VAL 124 CO 0.06 0.52 -0.10 -0.22 0.00 0.00 0.00 175.10 175.36 1ufk s LEU 125 N -0.81 2.68 -0.48 3.92 2.96 -0.14 -0.59 118.68 126.22 1ufk s LEU 125 Ca 0.11 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 1ufk s LEU 125 Cb -0.10 -1.65 0.12 0.00 0.50 0.00 0.00 46.19 45.06 1ufk s LEU 125 CO 0.00 0.03 0.34 -0.62 -1.32 0.00 0.00 176.35 174.78 1ufk s ASP 126 N 1.15 5.63 -0.37 3.68 2.15 -0.11 -0.29 116.67 128.51 1ufk s ASP 126 Ca 0.01 -2.01 -0.25 0.00 0.43 0.00 0.00 52.55 50.73 1ufk s ASP 126 Cb -0.14 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.51 1ufk s ASP 126 CO -0.03 -0.65 0.88 -0.22 -0.17 0.00 0.00 175.17 174.99 1ufk s LEU 127 N 1.21 4.04 0.00 -1.34 2.96 0.32 -2.03 118.68 123.84 1ufk s LEU 127 Ca 0.07 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 1ufk s LEU 127 Cb -0.25 -3.19 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1ufk s LEU 127 CO -0.02 -0.82 0.00 0.61 -1.32 0.00 0.00 176.35 174.80 1ufk n GLY 128 N 4.42 0.62 0.29 7.98 0.00 0.39 -3.86 105.19 115.03 1ufk n GLY 128 Ca 0.06 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1ufk n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ufk h THR 129 N 0.00 0.68 0.00 2.61 1.03 -1.12 -3.45 112.91 112.67 1ufk h THR 129 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1ufk h THR 129 Cb 0.67 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1ufk h THR 129 CO 0.00 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.12 1ufk n GLY 130 N -1.40 2.58 0.15 2.99 0.00 -1.26 0.54 105.19 108.79 1ufk n GLY 130 Ca -0.03 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.46 1ufk n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ufk h SER 131 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.41 113.55 114.49 1ufk h SER 131 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ufk h SER 131 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ufk h SER 131 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ufk n GLY 132 N -0.34 0.74 0.30 -0.77 0.00 0.19 -4.13 105.19 101.18 1ufk n GLY 132 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 1ufk n GLY 132 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ufk h VAL 133 N 0.00 0.86 -0.42 1.61 3.04 -1.89 -0.99 116.25 118.46 1ufk h VAL 133 Ca 0.00 -0.24 -0.12 0.00 -1.01 0.00 0.00 66.70 65.32 1ufk h VAL 133 Cb 0.00 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 1ufk h VAL 133 CO 0.00 0.13 -0.22 -0.07 -1.01 0.00 0.00 177.57 176.39 1ufk h LEU 134 N 0.70 0.92 -1.02 3.16 3.38 -1.93 -1.47 115.31 119.05 1ufk h LEU 134 Ca 0.40 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1ufk h LEU 134 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1ufk h LEU 134 CO -0.28 1.13 0.01 0.00 0.09 0.00 0.00 178.44 179.39 1ufk h ALA 135 N 0.82 1.19 -0.30 1.53 0.00 -1.81 -0.43 119.26 120.25 1ufk h ALA 135 Ca 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1ufk h ALA 135 Cb 0.79 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ufk h ALA 135 CO 0.07 0.53 -0.01 0.82 0.00 0.00 0.00 179.25 180.65 1ufk h ILE 136 N 0.67 1.26 -0.72 0.00 2.04 -1.02 -2.17 117.51 117.58 1ufk h ILE 136 Ca 0.14 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1ufk h ILE 136 Cb 0.40 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1ufk h ILE 136 CO 0.02 0.32 0.36 0.00 0.00 0.00 0.00 178.15 178.84 1ufk h ALA 137 N 0.83 1.28 -0.31 1.87 0.00 -0.94 -0.88 119.26 121.11 1ufk h ALA 137 Ca 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ufk h ALA 137 Cb 0.46 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1ufk h ALA 137 CO 0.02 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.92 1ufk h ALA 138 N 1.38 0.34 -0.82 0.00 0.00 -0.78 0.55 119.26 119.93 1ufk h ALA 138 Ca 0.25 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ufk h ALA 138 Cb 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ufk h ALA 138 CO -0.03 -0.32 0.36 0.93 0.00 0.00 0.00 179.25 180.19 1ufk h GLU 139 N 0.21 1.19 -0.11 0.00 4.39 -0.79 0.55 114.58 120.03 1ufk h GLU 139 Ca 0.14 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1ufk h GLU 139 Cb 0.13 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 1ufk h GLU 139 CO -0.16 0.94 -0.05 0.87 -1.16 0.00 0.00 179.01 179.44 1ufk h LYS 140 N 1.17 0.15 -0.00 2.33 1.79 -0.20 0.72 116.57 122.53 1ufk h LYS 140 Ca 0.28 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1ufk h LYS 140 Cb 0.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1ufk h LYS 140 CO -0.03 0.22 -0.02 1.28 -1.08 0.00 0.00 179.45 179.82 1ufk n LEU 141 N -4.39 0.12 0.00 2.94 4.77 0.09 -4.87 117.00 115.66 1ufk n LEU 141 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1ufk n LEU 141 Cb 0.19 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1ufk n LEU 141 CO 0.36 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1ufk n GLY 142 N 1.21 1.00 3.97 -0.72 0.00 0.24 -4.25 105.19 106.64 1ufk n GLY 142 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1ufk n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufk s GLY 143 N -2.00 1.76 -0.24 -0.02 0.00 0.12 -0.45 107.32 106.49 1ufk s GLY 143 Ca 0.00 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1ufk s GLY 143 CO 0.00 -0.88 -0.07 1.25 0.00 0.00 0.00 173.10 173.40 1ufk s LYS 144 N -5.28 1.81 0.12 2.90 2.47 0.27 -4.09 119.74 117.94 1ufk s LYS 144 Ca 0.66 -1.10 0.08 0.00 -1.56 0.00 0.00 55.97 54.05 1ufk s LYS 144 Cb -0.07 -2.68 -0.04 0.00 -1.46 0.00 0.00 37.83 33.59 1ufk s LYS 144 CO 0.46 -0.59 -0.11 0.00 0.16 0.00 0.00 175.35 175.26 1ufk s ALA 145 N 1.31 2.90 -0.15 3.13 0.00 -1.26 -0.39 121.76 127.29 1ufk s ALA 145 Ca -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1ufk s ALA 145 Cb -0.19 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1ufk s ALA 145 CO -0.06 0.59 -0.16 -1.17 0.00 0.00 0.00 175.76 174.96 1ufk s LEU 146 N -2.34 1.82 -0.19 0.00 2.96 0.24 -0.37 118.68 120.80 1ufk s LEU 146 Ca 0.21 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1ufk s LEU 146 Cb -0.10 -1.26 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1ufk s LEU 146 CO 0.13 -0.03 -0.00 -0.83 -1.32 0.00 0.00 176.35 174.30 1ufk s GLY 147 N 1.36 1.74 0.15 7.98 0.00 0.10 -0.94 107.32 117.71 1ufk s GLY 147 Ca 0.03 -0.92 0.11 0.00 0.00 0.00 0.00 44.72 43.94 1ufk s GLY 147 CO -0.10 0.14 -0.25 -1.34 0.00 0.00 0.00 173.10 171.55 1ufk s VAL 148 N 0.78 2.23 -0.10 1.40 -7.23 -0.86 -0.85 120.40 115.78 1ufk s VAL 148 Ca 0.00 -1.83 -0.14 0.00 -1.81 0.00 0.00 61.98 58.20 1ufk s VAL 148 Cb -0.14 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 34.83 1ufk s VAL 148 CO 0.02 0.00 0.36 -0.62 -0.31 0.00 0.00 175.10 174.56 1ufk s ASP 149 N -2.26 -0.33 0.07 4.85 2.15 -0.93 -0.46 116.67 119.76 1ufk s ASP 149 Ca 0.16 0.54 0.26 0.00 0.43 0.00 0.00 52.55 53.93 1ufk s ASP 149 Cb -0.09 0.61 1.01 0.00 -0.30 0.00 0.00 42.92 44.15 1ufk s ASP 149 CO 0.07 -0.25 1.80 2.30 -0.17 0.00 0.00 175.17 178.92 1ufk n ILE 150 N 2.28 0.38 -3.53 4.11 -5.35 -0.97 0.53 119.36 116.81 1ufk n ILE 150 Ca -0.16 -0.01 -0.42 0.00 -0.27 0.00 0.00 62.75 61.89 1ufk n ILE 150 Cb 0.57 -0.66 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 1ufk n ILE 150 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1ufk s ASP 151 N -3.49 5.84 0.38 7.28 2.15 -1.26 -4.64 116.67 122.92 1ufk s ASP 151 Ca 0.11 -1.32 0.08 0.00 0.43 0.00 0.00 52.55 51.85 1ufk s ASP 151 Cb 0.15 -2.06 0.82 0.00 -0.30 0.00 0.00 42.92 41.52 1ufk s ASP 151 CO 0.49 -0.54 1.97 -0.65 -0.17 0.00 0.00 175.17 176.27 1ufk h PRO 152 N 8.53 0.64 -1.01 4.34 0.11 -1.98 -2.88 132.00 139.75 1ufk h PRO 152 Ca -0.25 -0.04 0.27 0.00 0.11 0.00 0.00 66.00 66.09 1ufk h PRO 152 Cb 1.10 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 1ufk h PRO 152 CO 0.78 0.42 0.69 0.52 -0.21 0.00 0.00 178.00 180.20 1ufk h MET 153 N 0.66 0.24 0.00 1.05 2.86 -1.97 -1.58 114.93 116.19 1ufk h MET 153 Ca 0.29 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.90 1ufk h MET 153 Cb 0.31 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ufk h MET 153 CO -0.09 0.16 -0.25 -0.39 1.06 0.00 0.00 176.91 177.39 1ufk h VAL 154 N 0.24 0.18 -0.63 -2.22 -1.51 -1.85 -3.37 116.25 107.09 1ufk h VAL 154 Ca 0.53 -1.27 0.05 0.00 -1.23 0.00 0.00 66.70 64.79 1ufk h VAL 154 Cb 1.63 2.03 -0.05 0.00 -2.13 0.00 0.00 31.29 32.77 1ufk h VAL 154 CO -0.16 0.10 0.35 -0.07 -1.23 0.00 0.00 177.57 176.57 1ufk h LEU 155 N 0.00 0.53 -0.57 4.19 3.38 -1.44 -1.63 115.31 119.76 1ufk h LEU 155 Ca -0.01 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1ufk h LEU 155 Cb 1.09 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1ufk h LEU 155 CO 0.01 0.35 0.30 -0.65 0.09 0.00 0.00 178.44 178.54 1ufk h PRO 156 N 0.66 0.54 -0.41 1.13 0.11 -1.74 0.32 132.00 132.61 1ufk h PRO 156 Ca 0.28 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1ufk h PRO 156 Cb 0.15 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 1ufk h PRO 156 CO -0.17 0.36 0.05 0.37 -0.21 0.00 0.00 178.00 178.41 1ufk h GLN 157 N 0.56 0.63 -0.24 1.05 5.75 -1.72 -0.12 115.11 121.02 1ufk h GLN 157 Ca 0.26 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.61 1ufk h GLN 157 Cb 0.17 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1ufk h GLN 157 CO -0.18 0.62 0.06 0.00 -2.65 0.00 0.00 178.83 176.68 1ufk h ALA 158 N 1.45 0.31 -0.58 3.38 0.00 -0.29 0.10 119.26 123.65 1ufk h ALA 158 Ca 0.13 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ufk h ALA 158 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ufk h ALA 158 CO 0.00 -0.04 0.35 0.93 0.00 0.00 0.00 179.25 180.50 1ufk h GLU 159 N 0.21 0.78 -0.38 0.00 4.39 -0.60 -0.40 114.58 118.59 1ufk h GLU 159 Ca 0.07 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.72 1ufk h GLU 159 Cb 0.27 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1ufk h GLU 159 CO 0.00 0.56 0.22 0.00 -1.16 0.00 0.00 179.01 178.64 1ufk h ALA 160 N 1.18 0.48 -0.51 3.43 0.00 -0.69 -1.56 119.26 121.58 1ufk h ALA 160 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1ufk h ALA 160 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1ufk h ALA 160 CO -0.04 -0.12 0.30 -0.91 0.00 0.00 0.00 179.25 178.49 1ufk h ASN 161 N 0.45 0.49 -0.23 0.00 2.35 -0.36 -1.67 115.58 116.62 1ufk h ASN 161 Ca 0.15 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1ufk h ASN 161 Cb 0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1ufk h ASN 161 CO -0.07 0.34 -0.02 0.00 -1.65 0.00 0.00 177.43 176.03 1ufk h ALA 162 N 1.23 0.18 -0.91 -0.83 0.00 -0.66 -1.61 119.26 116.66 1ufk h ALA 162 Ca 0.21 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1ufk h ALA 162 Cb 0.03 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ufk h ALA 162 CO -0.10 -0.44 0.59 0.87 0.00 0.00 0.00 179.25 180.17 1ufk h LYS 163 N 0.05 1.06 -0.03 0.00 1.57 -0.95 -0.07 116.57 118.18 1ufk h LYS 163 Ca 0.11 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1ufk h LYS 163 Cb 0.15 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1ufk h LYS 163 CO -0.20 0.70 -0.15 0.00 -0.57 0.00 0.00 179.45 179.23 1ufk h ARG 164 N 1.09 0.05 -0.10 3.15 3.08 -0.39 -2.06 114.38 119.20 1ufk h ARG 164 Ca 0.37 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1ufk h ARG 164 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ufk h ARG 164 CO -0.13 0.21 0.00 0.09 -1.07 0.00 0.00 179.97 179.07 1ufk n ASN 165 N -4.33 1.82 -1.11 7.04 3.02 -0.11 -4.93 115.26 116.65 1ufk n ASN 165 Ca -0.02 -1.66 -0.10 0.00 -0.03 0.00 0.00 54.58 52.77 1ufk n ASN 165 Cb 0.24 -0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1ufk n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ufk n GLY 166 N 1.20 0.15 3.29 7.41 0.00 -0.77 -5.02 105.19 111.44 1ufk n GLY 166 Ca 0.17 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1ufk n GLY 166 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ufk s VAL 167 N -2.49 0.78 -0.39 1.61 -7.23 -1.03 -5.04 120.40 106.61 1ufk s VAL 167 Ca 0.00 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1ufk s VAL 167 Cb 0.00 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.80 1ufk s VAL 167 CO 0.00 -0.33 0.33 -0.60 -0.31 0.00 0.00 175.10 174.19 1ufk s ARG 168 N -3.92 0.74 0.83 4.82 3.52 -1.26 -3.87 118.95 119.81 1ufk s ARG 168 Ca 0.28 -1.54 -0.12 0.00 -0.13 0.00 0.00 55.73 54.23 1ufk s ARG 168 Cb 0.06 -1.15 0.09 0.00 -1.56 0.00 0.00 34.95 32.39 1ufk s ARG 168 CO 0.08 -1.29 1.14 -2.14 -0.81 0.00 0.00 175.30 172.28 1ufk s PRO 169 N 0.72 1.81 -0.03 5.12 0.02 -1.26 -4.94 135.00 136.44 1ufk s PRO 169 Ca 0.25 0.28 -0.17 0.00 0.02 0.00 0.00 61.00 61.38 1ufk s PRO 169 Cb -0.09 -1.92 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 1ufk s PRO 169 CO -0.08 -1.74 0.45 1.03 -0.33 0.00 0.00 177.00 176.33 1ufk s ARG 170 N -5.39 4.11 -0.04 5.54 0.52 0.50 -4.96 118.95 119.22 1ufk s ARG 170 Ca 0.62 0.47 0.06 0.00 -0.52 0.00 0.00 55.73 56.35 1ufk s ARG 170 Cb -0.13 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.03 1ufk s ARG 170 CO 0.51 0.50 -0.21 -0.06 0.02 0.00 0.00 175.30 176.07 1ufk s PHE 171 N -0.50 2.51 -0.06 -0.53 0.40 -1.26 0.02 117.98 118.56 1ufk s PHE 171 Ca 0.25 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.08 1ufk s PHE 171 Cb -0.17 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1ufk s PHE 171 CO 0.13 -0.00 0.25 -1.17 0.70 0.00 0.00 175.22 175.13 1ufk s LEU 172 N -0.52 1.08 0.13 -0.37 0.20 -0.03 -4.96 118.68 114.22 1ufk s LEU 172 Ca 0.07 0.27 -0.30 0.00 0.69 0.00 0.00 54.13 54.86 1ufk s LEU 172 Cb -0.11 0.94 -0.06 0.00 -0.43 0.00 0.00 46.19 46.52 1ufk s LEU 172 CO 0.01 -0.23 0.97 -0.70 -0.29 0.00 0.00 176.35 176.11 1ufk s GLU 173 N -0.52 4.70 0.00 1.98 2.12 -1.26 -2.19 118.70 123.53 1ufk s GLU 173 Ca -0.06 1.49 0.00 0.00 0.36 0.00 0.00 54.97 56.75 1ufk s GLU 173 Cb -0.04 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1ufk s GLU 173 CO 0.02 0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1ufk n GLY 174 N 2.15 0.76 0.00 -1.50 0.00 0.19 -4.85 105.19 101.94 1ufk n GLY 174 Ca 0.02 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1ufk n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ufk n SER 175 N 0.34 1.20 -0.27 1.61 2.88 -1.26 -2.30 113.62 115.81 1ufk n SER 175 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1ufk n SER 175 Cb 0.00 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.61 1ufk n SER 175 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ufk h LEU 176 N 0.00 0.56 -1.07 2.46 5.85 -2.00 -0.81 115.31 120.31 1ufk h LEU 176 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ufk h LEU 176 Cb 0.00 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1ufk h LEU 176 CO 0.00 0.32 0.60 -0.33 -0.34 0.00 0.00 178.44 178.69 1ufk h GLU 177 N 0.69 1.23 0.00 1.25 4.39 -2.00 -0.40 114.58 119.74 1ufk h GLU 177 Ca 0.37 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 1ufk h GLU 177 Cb 0.37 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ufk h GLU 177 CO -0.26 0.82 -0.01 0.00 -1.16 0.00 0.00 179.01 178.41 1ufk h ALA 178 N 1.40 1.01 0.00 3.43 0.00 -1.53 -3.05 119.26 120.53 1ufk h ALA 178 Ca 0.34 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 1ufk h ALA 178 Cb -0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ufk h ALA 178 CO -0.07 0.01 -1.53 0.00 0.00 0.00 0.00 179.25 177.66 1ufk h ALA 179 N 1.99 0.69 -0.94 0.00 0.00 -0.69 -3.40 119.26 116.91 1ufk h ALA 179 Ca -0.00 -1.28 0.27 0.00 0.00 0.00 0.00 54.91 53.90 1ufk h ALA 179 Cb 0.27 0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.26 1ufk h ALA 179 CO 0.00 1.44 0.41 -0.07 0.00 0.00 0.00 179.25 181.03 1ufk h LEU 180 N 0.00 0.28 -2.07 0.00 -0.00 -1.37 -0.17 115.31 111.98 1ufk h LEU 180 Ca -0.22 0.19 0.10 0.00 -0.00 0.00 0.00 57.88 57.95 1ufk h LEU 180 Cb 1.91 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 42.75 1ufk h LEU 180 CO 0.08 -0.12 0.32 -0.65 -0.00 0.00 0.00 178.44 178.08 1ufk h PRO 181 N 0.29 0.00 -0.01 1.13 0.11 -1.79 0.40 132.00 132.13 1ufk h PRO 181 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 1ufk h PRO 181 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ufk h PRO 181 CO -0.62 0.00 -0.20 1.19 -0.21 0.00 0.00 178.00 178.16 1ufk n PHE 182 N -4.02 0.00 -1.86 0.65 3.01 -0.08 -4.92 117.46 110.23 1ufk n PHE 182 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1ufk n PHE 182 Cb 0.49 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 1ufk n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ufk n GLY 183 N 1.31 0.44 3.78 1.37 0.00 0.14 -4.83 105.19 107.40 1ufk n GLY 183 Ca 0.14 -1.89 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1ufk n GLY 183 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ufk s PRO 184 N -1.92 2.16 0.23 1.61 0.02 -1.26 -5.05 135.00 130.79 1ufk s PRO 184 Ca 0.00 0.93 0.08 0.00 0.02 0.00 0.00 61.00 62.03 1ufk s PRO 184 Cb 0.00 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1ufk s PRO 184 CO 0.00 -1.65 0.02 -0.06 -0.33 0.00 0.00 177.00 174.99 1ufk s PHE 185 N -3.00 2.80 0.08 6.54 0.40 0.08 -4.81 117.98 120.07 1ufk s PHE 185 Ca 0.61 -0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 1ufk s PHE 185 Cb -0.16 -1.29 -0.25 0.00 0.51 0.00 0.00 43.02 41.84 1ufk s PHE 185 CO 0.56 0.57 1.14 -0.44 0.70 0.00 0.00 175.22 177.74 1ufk h ASP 186 N 2.13 0.20 -3.89 1.36 5.19 -1.35 -1.91 116.42 118.15 1ufk h ASP 186 Ca -0.46 -0.23 -0.15 0.00 -0.62 0.00 0.00 57.03 55.58 1ufk h ASP 186 Cb 1.23 -0.06 -0.25 0.00 0.18 0.00 0.00 39.33 40.43 1ufk h ASP 186 CO 0.59 1.18 -0.35 -0.22 -3.12 0.00 0.00 179.24 177.32 1ufk s LEU 187 N -6.86 0.82 -0.08 1.55 0.20 -0.92 -0.88 118.68 112.51 1ufk s LEU 187 Ca -0.02 0.60 0.05 0.00 0.69 0.00 0.00 54.13 55.45 1ufk s LEU 187 Cb 0.08 1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 46.91 1ufk s LEU 187 CO 0.85 -0.12 -0.24 -0.22 -0.29 0.00 0.00 176.35 176.33 1ufk s LEU 188 N 0.11 2.12 -0.08 -0.68 0.20 0.17 -0.97 118.68 119.56 1ufk s LEU 188 Ca -0.00 -0.52 0.03 0.00 0.69 0.00 0.00 54.13 54.32 1ufk s LEU 188 Cb -0.02 -1.40 0.01 0.00 -0.43 0.00 0.00 46.19 44.34 1ufk s LEU 188 CO 0.01 0.20 -0.16 0.54 -0.29 0.00 0.00 176.35 176.64 1ufk s VAL 189 N 0.08 1.46 -0.16 1.68 0.11 0.61 -0.52 120.40 123.66 1ufk s VAL 189 Ca -0.11 -0.67 -0.05 0.00 -2.93 0.00 0.00 61.98 58.22 1ufk s VAL 189 Cb -0.16 -1.30 0.06 0.00 -1.53 0.00 0.00 36.38 33.46 1ufk s VAL 189 CO 0.06 0.43 0.11 0.00 -3.33 0.00 0.00 175.10 172.37 1ufk s ALA 190 N 0.52 0.27 -0.86 1.54 0.00 -0.32 -0.52 121.76 122.40 1ufk s ALA 190 Ca -0.16 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 1ufk s ALA 190 Cb -0.16 -1.03 0.21 0.00 0.00 0.00 0.00 23.12 22.14 1ufk s ALA 190 CO 0.05 -1.10 0.83 1.21 0.00 0.00 0.00 175.76 176.76 1ufk s ASN 191 N 2.18 6.79 0.00 0.00 3.84 -1.25 -1.18 114.94 125.31 1ufk s ASN 191 Ca 0.03 -2.68 0.00 0.00 0.21 0.00 0.00 52.86 50.42 1ufk s ASN 191 Cb -0.15 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.31 1ufk s ASN 191 CO -0.09 -0.61 0.00 0.18 -2.79 0.00 0.00 177.10 173.79 1ufk n LEU 192 N 4.18 0.00 -3.52 3.21 4.77 -0.61 -4.87 117.00 120.16 1ufk n LEU 192 Ca 0.16 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.97 1ufk n LEU 192 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1ufk n LEU 192 CO 0.36 0.00 0.48 -0.72 -1.33 0.00 0.00 177.39 176.18 1ufk s TYR 193 N 2.22 -0.61 0.17 -1.77 -0.85 -1.26 -4.31 117.35 110.95 1ufk s TYR 193 Ca 0.00 0.98 -0.21 0.00 -0.52 0.00 0.00 57.07 57.32 1ufk s TYR 193 Cb 0.00 0.43 0.08 0.00 0.38 0.00 0.00 41.96 42.85 1ufk s TYR 193 CO 0.00 -0.60 1.34 0.00 -1.52 0.00 0.00 175.55 174.77 1ufk n ALA 194 N 0.75 -0.32 -0.02 9.51 0.00 -1.25 -1.26 120.51 127.91 1ufk n ALA 194 Ca -0.18 0.80 0.01 0.00 0.00 0.00 0.00 53.44 54.08 1ufk n ALA 194 Cb 0.58 -0.26 0.34 0.00 0.00 0.00 0.00 19.45 20.11 1ufk n ALA 194 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ufk h GLU 195 N 0.00 0.58 -0.19 0.00 3.07 -1.95 -1.28 114.58 114.80 1ufk h GLU 195 Ca 0.22 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 1ufk h GLU 195 Cb 0.44 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1ufk h GLU 195 CO -0.84 0.49 -0.42 1.25 -1.40 0.00 0.00 179.01 178.10 1ufk h LEU 196 N 0.58 0.70 -0.56 1.33 5.85 -1.60 -2.60 115.31 119.01 1ufk h LEU 196 Ca 0.14 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1ufk h LEU 196 Cb 0.13 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1ufk h LEU 196 CO -0.01 1.13 0.31 0.45 -0.34 0.00 0.00 178.44 179.98 1ufk h HIS 197 N 0.31 0.57 -0.32 1.25 3.86 -0.93 -0.92 115.15 118.95 1ufk h HIS 197 Ca 0.00 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1ufk h HIS 197 Cb 1.02 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 29.27 1ufk h HIS 197 CO 0.09 0.29 0.03 0.00 0.86 0.00 0.00 177.93 179.20 1ufk h ALA 198 N 1.29 0.31 -0.31 2.45 0.00 -1.17 0.50 119.26 122.33 1ufk h ALA 198 Ca 0.25 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1ufk h ALA 198 Cb 0.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ufk h ALA 198 CO -0.15 -0.38 -0.10 0.00 0.00 0.00 0.00 179.25 178.62 1ufk h ALA 199 N 1.26 1.25 0.00 0.00 0.00 -1.05 -2.95 119.26 117.76 1ufk h ALA 199 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ufk h ALA 199 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ufk h ALA 199 CO -0.23 0.49 -0.25 1.28 0.00 0.00 0.00 179.25 180.54 1ufk n LEU 200 N -4.21 0.29 -0.37 0.00 4.32 -0.39 -4.43 117.00 112.20 1ufk n LEU 200 Ca 0.01 0.26 0.02 0.00 -0.02 0.00 0.00 56.01 56.29 1ufk n LEU 200 Cb 0.31 -0.37 0.09 0.00 -1.62 0.00 0.00 43.42 41.83 1ufk n LEU 200 CO 0.40 0.05 0.61 0.00 -1.22 0.00 0.00 177.39 177.23 1ufk n ALA 201 N -1.53 0.05 -0.17 -1.18 0.00 0.09 -0.09 120.51 117.69 1ufk n ALA 201 Ca 0.06 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.53 1ufk n ALA 201 Cb 0.35 -0.54 0.26 0.00 0.00 0.00 0.00 19.45 19.52 1ufk n ALA 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ufk h PRO 202 N 0.00 0.89 0.00 0.00 0.11 -1.83 -2.22 132.00 128.95 1ufk h PRO 202 Ca 0.40 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 1ufk h PRO 202 Cb 0.65 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1ufk h PRO 202 CO -0.99 0.64 -0.34 0.00 -0.21 0.00 0.00 178.00 177.10 1ufk h ARG 203 N 0.91 0.00 -0.48 1.05 3.08 -0.79 -3.04 114.38 115.10 1ufk h ARG 203 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1ufk h ARG 203 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ufk h ARG 203 CO -0.04 0.34 0.16 1.88 -1.07 0.00 0.00 179.97 181.24 1ufk h TYR 204 N 0.00 0.77 -0.69 3.04 0.99 -0.45 -1.78 116.97 118.86 1ufk h TYR 204 Ca -0.00 -0.08 0.04 0.00 2.00 0.00 0.00 58.73 60.69 1ufk h TYR 204 Cb 1.10 -0.22 -0.05 0.00 1.00 0.00 0.00 36.73 38.55 1ufk h TYR 204 CO 0.00 0.68 0.41 -0.09 -0.00 0.00 0.00 178.16 179.16 1ufk h ARG 205 N 0.65 0.76 -0.02 4.88 2.43 -1.39 -1.71 114.38 119.99 1ufk h ARG 205 Ca 0.16 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1ufk h ARG 205 Cb 0.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1ufk h ARG 205 CO -0.01 0.51 -0.30 0.93 -1.51 0.00 0.00 179.97 179.59 1ufk h GLU 206 N 0.79 0.03 0.00 0.20 5.08 -1.37 -2.88 114.58 116.42 1ufk h GLU 206 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ufk h GLU 206 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ufk h GLU 206 CO -0.14 0.32 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1ufk h ALA 207 N 1.68 1.00 -3.43 3.43 0.00 -0.43 -3.46 119.26 118.05 1ufk h ALA 207 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 1ufk h ALA 207 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.19 1ufk h ALA 207 CO 0.04 0.00 -0.68 -0.51 0.00 0.00 0.00 179.25 178.10 1ufk s LEU 208 N -5.27 3.36 0.81 0.00 1.43 -1.09 -0.74 118.68 117.17 1ufk s LEU 208 Ca 0.06 -0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1ufk s LEU 208 Cb 0.09 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1ufk s LEU 208 CO 0.54 0.22 1.09 0.68 0.23 0.00 0.00 176.35 179.10 1ufk s VAL 209 N -1.19 3.17 0.34 -1.59 -7.23 -0.72 -4.83 120.40 108.35 1ufk s VAL 209 Ca 0.22 0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 60.48 1ufk s VAL 209 Cb -0.11 -2.92 -0.11 0.00 0.56 0.00 0.00 36.38 33.80 1ufk s VAL 209 CO 0.14 -0.50 1.55 -2.84 -0.31 0.00 0.00 175.10 173.14 1ufk s PRO 210 N -4.95 4.11 0.00 4.82 0.02 -1.26 -0.53 135.00 137.20 1ufk s PRO 210 Ca 0.61 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.23 1ufk s PRO 210 Cb -0.17 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1ufk s PRO 210 CO 0.56 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 1ufk n GLY 211 N 1.30 0.83 3.79 0.52 0.00 -1.15 -5.02 105.19 105.47 1ufk n GLY 211 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1ufk n GLY 211 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufk s GLY 212 N -1.83 1.62 0.04 -0.02 0.00 0.31 -4.53 107.32 102.90 1ufk s GLY 212 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1ufk s GLY 212 CO 0.00 0.24 -0.16 0.50 0.00 0.00 0.00 173.10 173.68 1ufk s ARG 213 N -5.13 2.14 -0.14 2.90 1.81 -0.06 0.83 118.95 121.29 1ufk s ARG 213 Ca 0.61 -0.95 -0.00 0.00 -1.72 0.00 0.00 55.73 53.67 1ufk s ARG 213 Cb -0.15 -2.24 0.03 0.00 -0.45 0.00 0.00 34.95 32.14 1ufk s ARG 213 CO 0.54 0.55 -0.10 0.00 -0.68 0.00 0.00 175.30 175.61 1ufk s ALA 214 N -0.95 1.61 -0.29 2.13 0.00 -0.22 -0.66 121.76 123.37 1ufk s ALA 214 Ca 0.15 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1ufk s ALA 214 Cb -0.11 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 22.01 1ufk s ALA 214 CO 0.06 -0.49 0.04 -0.51 0.00 0.00 0.00 175.76 174.86 1ufk s LEU 215 N 1.59 3.79 -0.17 0.00 1.43 0.32 -0.29 118.68 125.35 1ufk s LEU 215 Ca 0.04 -0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 1ufk s LEU 215 Cb -0.13 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.27 1ufk s LEU 215 CO -0.09 -0.22 -0.07 -0.76 0.23 0.00 0.00 176.35 175.45 1ufk s LEU 216 N 1.39 2.97 0.00 1.79 1.02 0.21 -1.17 118.68 124.89 1ufk s LEU 216 Ca -0.00 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.89 1ufk s LEU 216 Cb -0.18 -1.72 -0.01 0.00 0.02 0.00 0.00 46.19 44.31 1ufk s LEU 216 CO 0.00 0.11 0.06 1.07 0.02 0.00 0.00 176.35 177.61 1ufk n THR 217 N 3.94 0.00 -0.72 5.49 5.66 -0.33 -0.49 114.28 127.83 1ufk n THR 217 Ca -0.18 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.23 1ufk n THR 217 Cb 0.52 0.28 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 1ufk n THR 217 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ufk n GLY 218 N 0.10 0.59 3.66 1.09 0.00 -1.25 -1.58 105.19 107.80 1ufk n GLY 218 Ca 0.01 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1ufk n GLY 218 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ufk s ILE 219 N -2.00 5.27 0.25 -0.61 1.01 -1.22 -3.87 121.20 120.03 1ufk s ILE 219 Ca 0.00 0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.87 1ufk s ILE 219 Cb 0.00 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 1ufk s ILE 219 CO 0.00 0.29 0.84 -0.76 0.00 0.00 0.00 174.94 175.32 1ufk s LEU 220 N 1.21 4.45 0.25 2.97 1.02 -1.26 -0.22 118.68 127.10 1ufk s LEU 220 Ca 0.14 1.69 -0.05 0.00 0.02 0.00 0.00 54.13 55.94 1ufk s LEU 220 Cb -0.14 -3.67 0.49 0.00 0.02 0.00 0.00 46.19 42.89 1ufk s LEU 220 CO 0.06 0.06 1.67 0.11 0.02 0.00 0.00 176.35 178.27 1ufk h LYS 221 N 3.66 0.21 0.00 1.70 1.57 -1.69 0.37 116.57 122.38 1ufk h LYS 221 Ca -0.47 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1ufk h LYS 221 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ufk h LYS 221 CO 0.66 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 179.27 1ufk n ASP 222 N -5.22 0.00 0.00 0.86 3.85 -1.26 -1.99 116.55 112.80 1ufk n ASP 222 Ca 0.15 -0.92 0.00 0.00 -0.71 0.00 0.00 54.79 53.30 1ufk n ASP 222 Cb 0.49 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1ufk n ASP 222 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1ufk n ARG 223 N -0.80 -0.63 -0.21 0.11 1.74 0.07 -4.73 116.66 112.21 1ufk n ARG 223 Ca 0.10 -0.50 -0.01 0.00 -0.77 0.00 0.00 57.85 56.67 1ufk n ARG 223 Cb 0.04 -0.94 0.10 0.00 -1.02 0.00 0.00 32.46 30.65 1ufk n ARG 223 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ufk h ALA 224 N 0.00 0.82 -1.02 7.54 0.00 -0.83 -2.30 119.26 123.47 1ufk h ALA 224 Ca 0.00 0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.21 1ufk h ALA 224 Cb 0.10 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1ufk h ALA 224 CO 0.00 -0.10 0.63 -1.35 0.00 0.00 0.00 179.25 178.43 1ufk h PRO 225 N 0.52 0.52 -0.79 0.00 0.11 -1.85 0.19 132.00 130.70 1ufk h PRO 225 Ca 0.30 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.43 1ufk h PRO 225 Cb 0.30 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.23 1ufk h PRO 225 CO -0.25 0.34 0.49 -0.07 -0.21 0.00 0.00 178.00 178.31 1ufk h LEU 226 N 0.54 0.77 -0.01 2.35 4.07 -1.76 -0.87 115.31 120.40 1ufk h LEU 226 Ca 0.61 0.01 -0.24 0.00 0.08 0.00 0.00 57.88 58.34 1ufk h LEU 226 Cb 1.27 -0.15 0.02 0.00 1.08 0.00 0.00 40.66 42.88 1ufk h LEU 226 CO -0.38 0.51 -0.94 0.58 -1.08 0.00 0.00 178.44 177.13 1ufk h VAL 227 N 0.91 1.31 -0.82 1.22 2.07 -1.07 -1.82 116.25 118.05 1ufk h VAL 227 Ca 0.34 -2.19 0.04 0.00 0.82 0.00 0.00 66.70 65.71 1ufk h VAL 227 Cb 0.11 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1ufk h VAL 227 CO -0.15 0.67 0.52 0.03 0.02 0.00 0.00 177.57 178.66 1ufk h ARG 228 N 0.30 0.97 -0.27 1.57 3.08 -1.00 -0.81 114.38 118.22 1ufk h ARG 228 Ca -0.11 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1ufk h ARG 228 Cb 1.60 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1ufk h ARG 228 CO 0.18 0.64 0.00 1.49 -1.07 0.00 0.00 179.97 181.22 1ufk h GLU 229 N 1.00 0.47 -0.42 0.04 4.81 -1.15 -1.44 114.58 117.90 1ufk h GLU 229 Ca 0.34 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1ufk h GLU 229 Cb 0.05 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ufk h GLU 229 CO -0.13 0.63 -0.31 0.00 -0.73 0.00 0.00 179.01 178.47 1ufk h ALA 230 N 0.83 0.66 -0.40 2.92 0.00 -1.10 -1.15 119.26 121.02 1ufk h ALA 230 Ca 0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1ufk h ALA 230 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ufk h ALA 230 CO 0.01 0.67 -0.37 0.52 0.00 0.00 0.00 179.25 180.09 1ufk h MET 231 N 0.78 0.95 -0.23 0.00 2.86 -1.16 -0.56 114.93 117.56 1ufk h MET 231 Ca 0.08 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1ufk h MET 231 Cb 0.89 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1ufk h MET 231 CO 0.08 1.15 0.08 0.00 1.06 0.00 0.00 176.91 179.28 1ufk h ALA 232 N 0.79 0.30 -0.32 6.32 0.00 -1.24 -1.15 119.26 123.97 1ufk h ALA 232 Ca 0.07 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1ufk h ALA 232 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ufk h ALA 232 CO 0.09 -0.08 0.24 0.78 0.00 0.00 0.00 179.25 180.28 1ufk h GLY 233 N 0.21 0.00 -0.38 0.00 0.00 -1.04 0.13 103.07 102.00 1ufk h GLY 233 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1ufk h GLY 233 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1ufk n ALA 234 N -2.56 2.57 -0.79 3.60 0.00 -0.23 -4.93 120.51 118.17 1ufk n ALA 234 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1ufk n ALA 234 Cb 0.41 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1ufk n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ufk n GLY 235 N 1.12 0.71 3.92 0.00 0.00 0.47 -4.93 105.19 106.48 1ufk n GLY 235 Ca 0.18 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1ufk n GLY 235 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ufk s PHE 236 N -2.00 3.48 -0.08 1.61 0.40 -0.50 -4.87 117.98 116.02 1ufk s PHE 236 Ca 0.00 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 1ufk s PHE 236 Cb 0.00 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1ufk s PHE 236 CO 0.00 0.40 -0.08 -0.98 0.70 0.00 0.00 175.22 175.26 1ufk s ARG 237 N -3.14 2.85 0.26 0.44 3.03 -0.67 -4.36 118.95 117.37 1ufk s ARG 237 Ca 0.39 -0.58 -0.30 0.00 2.03 0.00 0.00 55.73 57.27 1ufk s ARG 237 Cb -0.11 -2.59 -0.10 0.00 -1.03 0.00 0.00 34.95 31.12 1ufk s ARG 237 CO 0.28 0.58 1.32 -2.14 -1.13 0.00 0.00 175.30 174.21 1ufk s PRO 238 N -0.58 4.37 0.00 3.89 0.02 -1.26 -1.22 135.00 140.22 1ufk s PRO 238 Ca 0.09 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.26 1ufk s PRO 238 Cb -0.12 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.27 1ufk s PRO 238 CO 0.02 -0.23 0.00 1.28 -0.33 0.00 0.00 177.00 177.73 1ufk n LEU 239 N 1.80 0.00 -3.56 -5.54 4.77 0.40 -4.87 117.00 110.00 1ufk n LEU 239 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 1ufk n LEU 239 Cb 0.42 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1ufk n LEU 239 CO 0.59 0.00 0.66 -0.70 -1.33 0.00 0.00 177.39 176.60 1ufk s GLU 240 N -1.95 0.76 0.01 3.23 2.12 -1.13 -4.99 118.70 116.75 1ufk s GLU 240 Ca 0.00 0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1ufk s GLU 240 Cb 0.00 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.74 1ufk s GLU 240 CO 0.00 -0.24 -0.01 -1.21 -0.54 0.00 0.00 175.26 173.26 1ufk s GLU 241 N -1.18 0.10 0.04 4.30 2.02 -1.26 -0.98 118.70 121.75 1ufk s GLU 241 Ca -0.05 -0.16 -0.21 0.00 0.02 0.00 0.00 54.97 54.56 1ufk s GLU 241 Cb -0.00 0.00 0.05 0.00 0.10 0.00 0.00 34.13 34.28 1ufk s GLU 241 CO 0.04 -0.01 0.49 0.00 0.02 0.00 0.00 175.26 175.81 1ufk s ALA 242 N -0.37 -1.25 0.12 5.21 0.00 -0.85 -5.00 121.76 119.62 1ufk s ALA 242 Ca -0.04 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 1ufk s ALA 242 Cb -0.03 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1ufk s ALA 242 CO -0.00 -0.48 0.25 0.00 0.00 0.00 0.00 175.76 175.53 1ufk s ALA 243 N -2.37 -0.26 -0.14 0.00 0.00 -1.26 -0.27 121.76 117.45 1ufk s ALA 243 Ca -0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1ufk s ALA 243 Cb -0.01 0.62 0.07 0.00 0.00 0.00 0.00 23.12 23.80 1ufk s ALA 243 CO -0.01 -0.57 0.31 -2.00 0.00 0.00 0.00 175.76 173.49 1ufk s GLU 244 N -3.88 0.23 6.36 0.00 2.12 0.40 -4.99 118.70 118.94 1ufk s GLU 244 Ca 0.08 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.18 1ufk s GLU 244 Cb 0.04 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1ufk s GLU 244 CO -0.08 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 1ufk n GLY 245 N 4.99 2.59 1.10 -1.50 0.00 -1.26 -1.12 105.19 109.99 1ufk n GLY 245 Ca -0.13 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.59 1ufk n GLY 245 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ufk n GLU 246 N 13.54 2.48 -4.14 1.61 -0.58 -1.26 -4.92 120.64 127.37 1ufk n GLU 246 Ca 0.00 -2.07 -0.36 0.00 -0.42 0.00 0.00 57.16 54.31 1ufk n GLU 246 Cb 0.00 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.29 1ufk n GLU 246 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1ufk s TRP 247 N -1.36 3.37 0.11 -0.32 0.52 -0.27 -1.73 118.94 119.26 1ufk s TRP 247 Ca 0.38 0.35 0.05 0.00 0.02 0.00 0.00 56.10 56.90 1ufk s TRP 247 Cb 0.21 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 1ufk s TRP 247 CO 0.24 0.60 -0.11 0.14 0.02 0.00 0.00 176.95 177.84 1ufk s VAL 248 N -0.96 1.10 -0.07 4.03 -7.23 0.70 -0.46 120.40 117.51 1ufk s VAL 248 Ca 0.14 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1ufk s VAL 248 Cb -0.12 -1.47 -0.00 0.00 0.56 0.00 0.00 36.38 35.36 1ufk s VAL 248 CO 0.03 -0.53 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.86 1ufk s LEU 249 N -2.52 1.99 -0.13 1.32 0.20 0.63 -3.40 118.68 116.76 1ufk s LEU 249 Ca 0.08 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.45 1ufk s LEU 249 Cb -0.03 -1.24 0.00 0.00 -0.43 0.00 0.00 46.19 44.49 1ufk s LEU 249 CO 0.01 0.16 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.27 1ufk s LEU 250 N 0.21 2.26 -0.10 -0.68 1.43 0.35 -2.00 118.68 120.15 1ufk s LEU 250 Ca -0.12 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ufk s LEU 250 Cb -0.15 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1ufk s LEU 250 CO 0.06 0.12 -0.07 0.00 0.23 0.00 0.00 176.35 176.68 1ufk s ALA 251 N 0.60 2.92 0.13 4.21 0.00 -0.15 -0.62 121.76 128.85 1ufk s ALA 251 Ca -0.11 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1ufk s ALA 251 Cb -0.16 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1ufk s ALA 251 CO 0.03 0.43 -0.10 0.71 0.00 0.00 0.00 175.76 176.83 1ufk s TYR 252 N -0.33 1.17 0.06 0.00 1.51 0.61 -0.45 117.35 119.92 1ufk s TYR 252 Ca 0.05 -0.75 0.08 0.00 -1.01 0.00 0.00 57.07 55.44 1ufk s TYR 252 Cb -0.13 -0.61 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1ufk s TYR 252 CO 0.02 0.03 -0.21 0.20 -1.11 0.00 0.00 175.55 174.49 1ufk s GLY 253 N -2.96 1.55 0.00 0.71 0.00 -0.35 -1.06 107.32 105.21 1ufk s GLY 253 Ca 0.13 -1.26 0.14 0.00 0.00 0.00 0.00 44.72 43.72 1ufk s GLY 253 CO -0.00 -1.17 0.93 -2.13 0.00 0.00 0.00 173.10 170.72