#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaw s LYS 21 N 0.00 1.78 0.82 0.00 -2.85 -1.26 -5.01 119.74 113.22 1uaw s LYS 21 Ca 0.00 -1.65 -0.08 0.00 -1.00 0.00 0.00 55.97 53.25 1uaw s LYS 21 Cb 0.00 0.44 0.15 0.00 -2.06 0.00 0.00 37.83 36.36 1uaw s LYS 21 CO 0.00 -0.73 1.13 0.00 0.10 0.00 0.00 175.35 175.85 1uaw s MET 22 N -3.33 1.31 0.04 1.78 0.23 0.61 -4.34 119.30 115.60 1uaw s MET 22 Ca 0.30 -0.73 -0.15 0.00 -1.03 0.00 0.00 55.69 54.08 1uaw s MET 22 Cb 0.00 -2.11 0.02 0.00 -1.53 0.00 0.00 34.83 31.21 1uaw s MET 22 CO 0.17 -1.82 0.32 0.12 -2.03 0.00 0.00 175.02 171.79 1uaw s PHE 23 N -3.46 -0.14 -0.08 3.16 2.19 -0.64 -1.59 117.98 117.42 1uaw s PHE 23 Ca 0.69 0.05 0.02 0.00 0.33 0.00 0.00 56.93 58.01 1uaw s PHE 23 Cb -0.05 0.12 -0.02 0.00 -1.31 0.00 0.00 43.02 41.75 1uaw s PHE 23 CO 0.48 -0.51 -0.12 0.42 1.83 0.00 0.00 175.22 177.32 1uaw s ILE 24 N -2.41 3.23 -0.05 3.12 1.09 0.64 -0.44 121.20 126.38 1uaw s ILE 24 Ca -0.06 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 58.88 1uaw s ILE 24 Cb -0.01 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.06 1uaw s ILE 24 CO -0.02 0.57 -0.12 -0.83 -0.10 0.00 0.00 174.94 174.44 1uaw s GLY 25 N -0.45 1.59 -1.25 6.18 0.00 -0.96 -2.44 107.32 110.00 1uaw s GLY 25 Ca 0.06 -0.96 -0.03 0.00 0.00 0.00 0.00 44.72 43.79 1uaw s GLY 25 CO 0.02 -0.75 1.04 0.61 0.00 0.00 0.00 173.10 174.02 1uaw n GLY 26 N 2.23 -0.41 3.79 0.20 0.00 0.16 0.12 105.19 111.28 1uaw n GLY 26 Ca -0.17 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1uaw n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uaw s LEU 27 N -6.65 4.18 0.95 0.99 2.34 -1.04 -3.51 118.68 115.94 1uaw s LEU 27 Ca 0.17 1.82 -0.17 0.00 0.06 0.00 0.00 54.13 56.02 1uaw s LEU 27 Cb -0.08 -4.21 -0.15 0.00 -0.56 0.00 0.00 46.19 41.19 1uaw s LEU 27 CO 0.73 -0.23 -0.75 -1.20 -1.06 0.00 0.00 176.35 173.84 1uaw n SER 28 N 0.07 -5.83 0.04 1.48 7.64 -1.26 -2.68 113.62 113.07 1uaw n SER 28 Ca 0.04 0.22 0.05 0.00 1.01 0.00 0.00 58.87 60.19 1uaw n SER 28 Cb 0.51 -0.76 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 1uaw n SER 28 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1uaw n TRP 29 N -2.41 0.76 0.52 1.43 4.27 -1.26 -3.53 117.44 117.23 1uaw n TRP 29 Ca -0.01 0.24 0.12 0.00 -3.89 0.00 0.00 57.50 53.96 1uaw n TRP 29 Cb 0.55 -0.95 0.26 0.00 -1.36 0.00 0.00 31.31 29.81 1uaw n TRP 29 CO 0.00 0.00 0.00 -0.56 -2.29 0.00 0.00 177.69 174.84 1uaw h GLN 30 N 0.00 0.00 0.00 -2.67 -0.00 -1.95 -3.43 115.11 107.06 1uaw h GLN 30 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 58.65 58.42 1uaw h GLN 30 Cb 1.33 0.00 0.07 0.00 -0.00 0.00 0.00 27.48 28.89 1uaw h GLN 30 CO 0.02 0.00 -0.06 -2.37 -0.00 0.00 0.00 178.83 176.42 1uaw n THR 31 N -2.34 0.00 -3.29 1.86 5.66 -1.25 -5.06 114.28 109.86 1uaw n THR 31 Ca 0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1uaw n THR 31 Cb 0.45 -0.33 0.01 0.00 -1.55 0.00 0.00 70.33 68.91 1uaw n THR 31 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1uaw n THR 32 N -3.84 0.00 0.00 1.09 5.66 -1.26 -5.03 114.28 110.90 1uaw n THR 32 Ca 0.05 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1uaw n THR 32 Cb 0.20 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1uaw n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uaw n GLN 33 N -0.17 0.00 -0.29 1.09 6.02 -1.26 -2.12 117.38 120.64 1uaw n GLN 33 Ca -0.02 0.27 0.25 0.00 -0.01 0.00 0.00 57.00 57.49 1uaw n GLN 33 Cb 0.18 -0.98 0.58 0.00 1.02 0.00 0.00 30.24 31.05 1uaw n GLN 33 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1uaw h GLU 34 N 0.00 0.26 -0.02 -1.09 4.81 -1.99 2.31 114.58 118.87 1uaw h GLU 34 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1uaw h GLU 34 Cb 0.00 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1uaw h GLU 34 CO 0.00 0.17 -0.02 0.78 -0.73 0.00 0.00 179.01 179.21 1uaw h GLY 35 N 0.27 0.03 1.17 1.92 0.00 -1.96 0.81 103.07 105.30 1uaw h GLY 35 Ca 0.55 -0.01 -0.33 0.00 0.00 0.00 0.00 47.33 47.53 1uaw h GLY 35 CO -0.18 0.01 -1.57 -2.00 0.00 0.00 0.00 176.54 172.80 1uaw h LEU 36 N 0.03 0.67 -2.01 3.11 5.85 0.42 -1.57 115.31 121.81 1uaw h LEU 36 Ca 0.01 -0.83 -0.02 0.00 0.84 0.00 0.00 57.88 57.87 1uaw h LEU 36 Cb 0.06 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1uaw h LEU 36 CO 0.00 1.68 -0.09 0.03 -0.34 0.00 0.00 178.44 179.72 1uaw h ARG 37 N 0.12 0.00 0.00 1.25 3.08 0.94 0.16 114.38 119.93 1uaw h ARG 37 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1uaw h ARG 37 Cb 2.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 1uaw h ARG 37 CO 0.22 0.09 -0.65 1.05 -1.07 0.00 0.00 179.97 179.61 1uaw h GLU 38 N 0.00 0.00 0.19 0.04 -0.00 0.61 0.22 114.58 115.64 1uaw h GLU 38 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 1uaw h GLU 38 Cb 0.19 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 28.97 1uaw h GLU 38 CO 0.01 0.07 -1.35 -0.92 -0.00 0.00 0.00 179.01 176.83 1uaw h TYR 39 N 0.00 0.74 0.00 2.06 5.03 0.29 -3.26 116.97 121.83 1uaw h TYR 39 Ca -0.02 -0.54 -0.28 0.00 2.58 0.00 0.00 58.73 60.47 1uaw h TYR 39 Cb 1.09 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.29 1uaw h TYR 39 CO 0.00 1.52 -2.28 1.19 -1.32 0.00 0.00 178.16 177.27 1uaw n PHE 40 N -3.83 0.00 0.39 -3.82 3.72 -0.30 -4.01 117.46 109.60 1uaw n PHE 40 Ca -0.19 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.26 1uaw n PHE 40 Cb 1.00 -0.87 0.23 0.00 -0.94 0.00 0.00 39.48 38.90 1uaw n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uaw n GLY 41 N 1.66 -0.84 0.09 1.37 0.00 0.76 -1.52 105.19 106.70 1uaw n GLY 41 Ca -0.26 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1uaw n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1uaw h GLN 42 N 0.00 0.19 -0.25 1.61 4.15 -1.69 -3.23 115.11 115.89 1uaw h GLN 42 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1uaw h GLN 42 Cb 0.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1uaw h GLN 42 CO 0.00 0.36 0.00 1.97 -1.93 0.00 0.00 178.83 179.23 1uaw n PHE 43 N -4.85 0.32 -3.15 3.99 1.16 -1.09 -4.86 117.46 108.98 1uaw n PHE 43 Ca -0.06 -0.29 0.04 0.00 -1.87 0.00 0.00 57.45 55.27 1uaw n PHE 43 Cb 0.16 -0.01 -0.00 0.00 -1.61 0.00 0.00 39.48 38.01 1uaw n PHE 43 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1uaw s GLY 44 N -1.04 -1.23 -0.27 4.97 0.00 -0.58 -4.00 107.32 105.17 1uaw s GLY 44 Ca 0.22 1.06 -0.41 0.00 0.00 0.00 0.00 44.72 45.59 1uaw s GLY 44 CO 0.18 3.77 1.29 -1.84 0.00 0.00 0.00 173.10 176.50 1uaw n GLU 45 N 5.12 0.00 -3.24 2.90 0.28 -1.24 -3.56 120.64 120.89 1uaw n GLU 45 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.68 1uaw n GLU 45 Cb 0.55 -1.41 -0.06 0.00 1.43 0.00 0.00 31.44 31.96 1uaw n GLU 45 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1uaw s VAL 46 N 1.62 5.07 -0.44 3.84 1.01 -1.26 -2.61 120.40 127.63 1uaw s VAL 46 Ca 0.93 1.12 0.22 0.00 0.00 0.00 0.00 61.98 64.25 1uaw s VAL 46 Cb -1.32 -3.89 -0.26 0.00 0.00 0.00 0.00 36.38 30.92 1uaw s VAL 46 CO 0.67 0.36 0.72 1.17 0.00 0.00 0.00 175.10 178.02 1uaw n LYS 47 N 3.28 0.39 -3.62 2.72 4.81 -1.25 -4.88 118.16 119.61 1uaw n LYS 47 Ca -0.06 -0.09 -0.09 0.00 -0.87 0.00 0.00 58.31 57.20 1uaw n LYS 47 Cb 0.51 -1.54 -0.06 0.00 0.02 0.00 0.00 35.03 33.96 1uaw n LYS 47 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1uaw s GLU 48 N -3.30 0.47 0.17 1.64 2.12 -1.26 -5.00 118.70 113.54 1uaw s GLU 48 Ca -0.01 0.40 -0.13 0.00 0.36 0.00 0.00 54.97 55.59 1uaw s GLU 48 Cb 0.15 0.23 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1uaw s GLU 48 CO 0.88 -0.09 0.38 0.00 -0.54 0.00 0.00 175.26 175.89 1uaw s LEU 50 N -2.92 -0.05 -0.14 0.00 0.05 0.52 -4.90 118.68 111.25 1uaw s LEU 50 Ca 0.13 0.81 -0.06 0.00 0.05 0.00 0.00 54.13 55.07 1uaw s LEU 50 Cb 0.02 1.19 -0.04 0.00 -2.05 0.00 0.00 46.19 45.31 1uaw s LEU 50 CO -0.02 -0.19 0.06 -0.69 -0.55 0.00 0.00 176.35 174.96 1uaw s VAL 51 N 1.53 4.83 0.05 1.48 1.01 -1.26 0.35 120.40 128.39 1uaw s VAL 51 Ca -0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1uaw s VAL 51 Cb -0.09 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1uaw s VAL 51 CO -0.12 0.55 0.03 -0.32 0.00 0.00 0.00 175.10 175.24 1uaw s MET 52 N -0.40 0.59 -0.38 2.72 0.00 -1.02 -5.02 119.30 115.79 1uaw s MET 52 Ca 0.09 -0.97 0.02 0.00 0.00 0.00 0.00 55.69 54.83 1uaw s MET 52 Cb -0.12 0.22 0.12 0.00 0.00 0.00 0.00 34.83 35.04 1uaw s MET 52 CO 0.02 -0.13 0.16 -0.98 0.00 0.00 0.00 175.02 174.08 1uaw s ARG 53 N -3.19 1.16 -0.02 4.11 1.70 -1.26 -2.60 118.95 118.86 1uaw s ARG 53 Ca 0.00 -1.69 -0.21 0.00 -0.47 0.00 0.00 55.73 53.36 1uaw s ARG 53 Cb 0.02 -2.43 -0.12 0.00 -0.57 0.00 0.00 34.95 31.85 1uaw s ARG 53 CO -0.07 -1.06 0.86 -0.44 -1.08 0.00 0.00 175.30 173.51 1uaw h ASP 54 N 7.36 -0.58 -0.41 -2.89 5.19 -1.79 -3.46 116.42 119.84 1uaw h ASP 54 Ca -0.07 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1uaw h ASP 54 Cb 0.97 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1uaw h ASP 54 CO 0.50 -0.16 0.00 -2.65 -3.12 0.00 0.00 179.24 173.81 1uaw n PRO 55 N -5.23 0.00 -0.02 3.56 -0.01 -1.24 -5.01 135.00 127.05 1uaw n PRO 55 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.38 1uaw n PRO 55 Cb 0.28 0.00 -0.01 0.00 -0.01 0.00 0.00 33.50 33.77 1uaw n PRO 55 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1uaw n LEU 56 N 0.00 0.63 0.00 2.45 4.77 -1.26 -5.03 117.00 118.56 1uaw n LEU 56 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1uaw n LEU 56 Cb 0.00 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.47 1uaw n LEU 56 CO 0.00 -0.49 0.00 1.07 -1.33 0.00 0.00 177.39 176.64 1uaw n THR 57 N -3.08 0.00 -0.34 -5.08 5.66 -1.26 -4.97 114.28 105.20 1uaw n THR 57 Ca -0.03 0.00 0.23 0.00 -3.05 0.00 0.00 64.05 61.21 1uaw n THR 57 Cb 0.10 0.00 0.50 0.00 -1.55 0.00 0.00 70.33 69.38 1uaw n THR 57 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1uaw h LYS 58 N 0.00 0.38 0.00 1.09 2.10 -2.00 -3.41 116.57 114.72 1uaw h LYS 58 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1uaw h LYS 58 Cb 0.00 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1uaw h LYS 58 CO 0.00 0.25 0.00 2.89 -2.00 0.00 0.00 179.45 180.59 1uaw n ARG 59 N -4.71 3.53 0.00 0.07 -4.01 -1.26 -5.11 116.66 105.17 1uaw n ARG 59 Ca 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.08 1uaw n ARG 59 Cb 0.92 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.34 1uaw n ARG 59 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1uaw n SER 60 N 0.00 -1.06 -0.09 2.89 7.64 -1.26 -4.69 113.62 117.05 1uaw n SER 60 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1uaw n SER 60 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1uaw n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1uaw h ARG 61 N 0.00 0.04 0.00 1.43 3.08 -1.55 -3.42 114.38 113.96 1uaw h ARG 61 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1uaw h ARG 61 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1uaw h ARG 61 CO 0.00 1.03 0.00 0.41 -1.07 0.00 0.00 179.97 180.34 1uaw n GLY 62 N 1.51 -1.20 1.77 0.04 0.00 -1.22 -2.16 105.19 103.94 1uaw n GLY 62 Ca -0.32 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1uaw n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1uaw n PHE 63 N 0.00 -0.54 -3.68 1.61 1.16 -1.07 -0.67 117.46 114.28 1uaw n PHE 63 Ca 0.00 -0.43 -0.11 0.00 -1.87 0.00 0.00 57.45 55.05 1uaw n PHE 63 Cb 0.00 0.20 -0.11 0.00 -1.61 0.00 0.00 39.48 37.96 1uaw n PHE 63 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1uaw s GLY 64 N -2.95 -0.26 0.34 4.97 0.00 -1.02 -2.44 107.32 105.96 1uaw s GLY 64 Ca 0.12 1.30 -0.18 0.00 0.00 0.00 0.00 44.72 45.96 1uaw s GLY 64 CO 0.01 1.97 0.80 -1.36 0.00 0.00 0.00 173.10 174.53 1uaw s PHE 65 N 2.10 3.41 0.11 1.90 0.08 0.15 -0.26 117.98 125.48 1uaw s PHE 65 Ca -0.04 1.38 -0.08 0.00 0.12 0.00 0.00 56.93 58.31 1uaw s PHE 65 Cb -0.11 -2.65 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1uaw s PHE 65 CO -0.11 0.08 0.20 0.08 -0.10 0.00 0.00 175.22 175.37 1uaw s VAL 66 N -1.96 0.12 -0.29 -0.44 1.01 -0.62 -0.35 120.40 117.87 1uaw s VAL 66 Ca 0.55 -1.31 0.18 0.00 0.00 0.00 0.00 61.98 61.39 1uaw s VAL 66 Cb -0.11 -1.54 0.45 0.00 0.00 0.00 0.00 36.38 35.18 1uaw s VAL 66 CO 0.17 -0.55 1.31 0.41 0.00 0.00 0.00 175.10 176.44 1uaw n THR 67 N -0.10 0.64 -2.13 3.92 -1.04 0.10 -0.28 114.28 115.38 1uaw n THR 67 Ca -0.12 -1.94 -0.39 0.00 -2.04 0.00 0.00 64.05 59.56 1uaw n THR 67 Cb 0.63 1.15 -0.01 0.00 -1.82 0.00 0.00 70.33 70.28 1uaw n THR 67 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1uaw s PHE 68 N -1.85 2.86 -0.28 -1.42 -0.12 -1.26 -3.86 117.98 112.05 1uaw s PHE 68 Ca 0.18 1.46 0.01 0.00 -0.05 0.00 0.00 56.93 58.54 1uaw s PHE 68 Cb 0.37 -3.57 0.06 0.00 -0.63 0.00 0.00 43.02 39.25 1uaw s PHE 68 CO -0.08 -1.86 -0.07 -1.64 -0.05 0.00 0.00 175.22 171.52 1uaw s MET 69 N -2.35 2.31 0.10 1.99 -1.94 -1.07 -4.91 119.30 113.43 1uaw s MET 69 Ca 0.59 -1.32 -0.07 0.00 -1.71 0.00 0.00 55.69 53.18 1uaw s MET 69 Cb -0.35 -3.00 -0.01 0.00 2.01 0.00 0.00 34.83 33.48 1uaw s MET 69 CO 0.44 -0.59 0.16 0.34 -0.01 0.00 0.00 175.02 175.36 1uaw s ASP 70 N 1.16 0.18 0.00 3.03 2.15 -1.26 -4.65 116.67 117.28 1uaw s ASP 70 Ca -0.08 -0.79 0.00 0.00 0.43 0.00 0.00 52.55 52.12 1uaw s ASP 70 Cb -0.20 0.33 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 1uaw s ASP 70 CO -0.04 -0.74 0.76 0.00 -0.17 0.00 0.00 175.17 174.99 1uaw n GLN 71 N -0.06 0.00 -0.04 4.34 3.00 -1.26 -3.73 117.38 119.63 1uaw n GLN 71 Ca -0.13 0.50 0.12 0.00 -0.01 0.00 0.00 57.00 57.48 1uaw n GLN 71 Cb 0.62 -1.38 0.44 0.00 0.00 0.00 0.00 30.24 29.93 1uaw n GLN 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1uaw n ALA 72 N -2.00 2.54 -0.00 -1.58 0.00 -1.26 -4.36 120.51 113.85 1uaw n ALA 72 Ca 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 1uaw n ALA 72 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1uaw n ALA 72 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1uaw h GLY 73 N 4.92 -0.72 -0.25 0.00 0.00 -1.69 -0.18 103.07 105.15 1uaw h GLY 73 Ca 0.00 0.53 0.22 0.00 0.00 0.00 0.00 47.33 48.07 1uaw h GLY 73 CO 0.00 -0.22 0.32 -2.08 0.00 0.00 0.00 176.54 174.56 1uaw h VAL 74 N -0.49 0.44 -1.01 4.60 2.07 -1.77 0.30 116.25 120.39 1uaw h VAL 74 Ca 0.08 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.50 1uaw h VAL 74 Cb 0.63 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1uaw h VAL 74 CO -0.40 0.06 0.67 0.44 0.02 0.00 0.00 177.57 178.35 1uaw h ASP 75 N 0.33 1.14 0.65 0.57 5.19 -1.34 -1.39 116.42 121.56 1uaw h ASP 75 Ca 0.54 -0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.83 1uaw h ASP 75 Cb 1.03 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1uaw h ASP 75 CO -0.56 0.81 -0.46 0.11 -3.12 0.00 0.00 179.24 176.02 1uaw h LYS 76 N 1.34 0.00 0.44 3.56 6.56 0.30 -2.80 116.57 125.96 1uaw h LYS 76 Ca 0.38 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.95 1uaw h LYS 76 Cb -0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.56 1uaw h LYS 76 CO -0.09 0.46 -0.21 0.28 -2.06 0.00 0.00 179.45 177.83 1uaw h VAL 77 N 0.00 0.00 -1.04 0.50 2.07 -0.07 -2.90 116.25 114.81 1uaw h VAL 77 Ca -0.00 -0.13 0.27 0.00 0.82 0.00 0.00 66.70 67.66 1uaw h VAL 77 Cb 0.91 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.57 1uaw h VAL 77 CO 0.06 0.00 0.65 0.17 0.02 0.00 0.00 177.57 178.47 1uaw h LEU 78 N -0.72 0.52 -1.99 2.57 8.10 -1.54 1.15 115.31 123.41 1uaw h LEU 78 Ca -0.06 0.12 0.40 0.00 0.11 0.00 0.00 57.88 58.44 1uaw h LEU 78 Cb 0.45 0.04 -0.06 0.00 -0.44 0.00 0.00 40.66 40.65 1uaw h LEU 78 CO 0.10 0.06 0.99 0.00 -4.11 0.00 0.00 178.44 175.48 1uaw h ALA 79 N 1.68 3.29 -0.71 0.17 0.00 -1.28 2.13 119.26 124.54 1uaw h ALA 79 Ca 0.64 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 55.18 1uaw h ALA 79 Cb 1.49 0.10 -0.20 0.00 0.00 0.00 0.00 17.79 19.19 1uaw h ALA 79 CO -0.40 -1.69 0.32 1.04 0.00 0.00 0.00 179.25 178.53 1uaw n GLN 80 N -4.13 2.45 0.29 0.00 6.02 0.40 -4.57 117.38 117.83 1uaw n GLN 80 Ca 0.30 -3.07 0.13 0.00 -0.01 0.00 0.00 57.00 54.35 1uaw n GLN 80 Cb 1.43 -2.06 0.67 0.00 1.02 0.00 0.00 30.24 31.31 1uaw n GLN 80 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1uaw h SER 81 N 1.37 0.00 0.43 1.08 4.64 0.36 1.61 113.55 123.02 1uaw h SER 81 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1uaw h SER 81 Cb 2.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.42 1uaw h SER 81 CO 0.77 0.00 -1.12 -2.11 -0.87 0.00 0.00 176.83 173.50 1uaw n ARG 82 N -2.64 0.34 -3.12 4.77 1.85 -1.26 -4.05 116.66 112.54 1uaw n ARG 82 Ca -0.02 -0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.67 1uaw n ARG 82 Cb 0.37 -1.60 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 1uaw n ARG 82 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1uaw n HIS 83 N -2.04 -0.53 -3.18 2.89 -0.00 0.55 -2.98 115.22 109.93 1uaw n HIS 83 Ca 0.01 0.28 -0.39 0.00 0.46 0.00 0.00 57.72 58.08 1uaw n HIS 83 Cb 0.46 -1.07 -0.06 0.00 -0.12 0.00 0.00 29.99 29.20 1uaw n HIS 83 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1uaw s GLU 84 N -4.48 4.23 0.00 1.57 2.12 -1.21 -1.72 118.70 119.21 1uaw s GLU 84 Ca 0.14 0.54 0.00 0.00 0.36 0.00 0.00 54.97 56.00 1uaw s GLU 84 Cb -0.08 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.76 1uaw s GLU 84 CO 0.44 -0.14 0.00 1.47 -0.54 0.00 0.00 175.26 176.49 1uaw n LEU 85 N 4.72 0.00 -2.24 2.70 -0.00 -1.00 -4.91 117.00 116.27 1uaw n LEU 85 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.80 1uaw n LEU 85 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 1uaw n LEU 85 CO 0.43 0.00 1.72 0.47 -0.00 0.00 0.00 177.39 180.01 1uaw n ASP 86 N -0.64 5.82 0.00 1.45 8.00 -1.26 -4.52 116.55 125.40 1uaw n ASP 86 Ca 0.00 -2.70 0.00 0.00 0.71 0.00 0.00 54.79 52.80 1uaw n ASP 86 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.73 1uaw n ASP 86 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1uaw n SER 87 N 2.09 -2.95 -4.35 -2.24 2.88 -1.26 -4.98 113.62 102.81 1uaw n SER 87 Ca 0.47 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.66 1uaw n SER 87 Cb 0.77 -1.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.68 1uaw n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1uaw s LYS 88 N -0.63 3.43 -1.04 -1.46 -0.14 -1.26 -5.03 119.74 113.61 1uaw s LYS 88 Ca 0.00 -0.61 -0.03 0.00 -1.36 0.00 0.00 55.97 53.97 1uaw s LYS 88 Cb 0.00 -2.98 0.31 0.00 -1.68 0.00 0.00 37.83 33.48 1uaw s LYS 88 CO 0.00 -0.10 1.44 -2.37 -0.76 0.00 0.00 175.35 173.56 1uaw n THR 89 N 4.50 5.12 -0.29 2.17 5.66 -1.24 -2.37 114.28 127.83 1uaw n THR 89 Ca -0.18 -5.89 -0.11 0.00 -3.05 0.00 0.00 64.05 54.82 1uaw n THR 89 Cb 0.51 -2.04 0.11 0.00 -1.55 0.00 0.00 70.33 67.36 1uaw n THR 89 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1uaw n ILE 90 N 1.18 0.00 -3.34 1.09 5.41 -0.70 -4.63 119.36 118.37 1uaw n ILE 90 Ca 0.27 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.79 1uaw n ILE 90 Cb 0.33 -0.37 -0.09 0.00 -0.71 0.00 0.00 39.64 38.80 1uaw n ILE 90 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1uaw s ASP 91 N -1.98 1.48 -0.20 4.38 2.15 0.12 -3.41 116.67 119.19 1uaw s ASP 91 Ca 0.25 -2.45 -0.32 0.00 0.43 0.00 0.00 52.55 50.46 1uaw s ASP 91 Cb -0.04 -0.02 -0.09 0.00 -0.30 0.00 0.00 42.92 42.47 1uaw s ASP 91 CO 0.21 -0.21 2.11 -0.81 -0.17 0.00 0.00 175.17 176.30 1uaw n PRO 92 N 3.41 1.83 -3.86 4.34 -0.04 -1.26 -2.27 135.00 137.14 1uaw n PRO 92 Ca 0.21 0.57 -0.30 0.00 -0.04 0.00 0.00 63.50 63.94 1uaw n PRO 92 Cb 0.45 -2.84 -0.15 0.00 -0.04 0.00 0.00 33.50 30.92 1uaw n PRO 92 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1uaw s LYS 93 N 5.59 1.17 0.38 0.54 0.00 0.42 -4.66 119.74 123.17 1uaw s LYS 93 Ca 1.00 -1.14 0.03 0.00 0.00 0.00 0.00 55.97 55.87 1uaw s LYS 93 Cb -0.59 -2.45 -0.01 0.00 0.00 0.00 0.00 37.83 34.78 1uaw s LYS 93 CO 0.44 -0.81 0.55 0.08 0.00 0.00 0.00 175.35 175.62 1uaw s VAL 94 N 1.42 4.17 -0.78 1.79 1.01 -1.26 -1.62 120.40 125.13 1uaw s VAL 94 Ca 0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 1uaw s VAL 94 Cb -0.18 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1uaw s VAL 94 CO -0.14 -0.26 1.13 0.00 0.00 0.00 0.00 175.10 175.83 1uaw s ALA 95 N -2.33 3.03 0.00 5.51 0.00 -1.26 -4.93 121.76 121.78 1uaw s ALA 95 Ca 0.45 -1.99 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1uaw s ALA 95 Cb -0.10 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 18.95 1uaw s ALA 95 CO 0.34 -3.04 0.00 0.34 0.00 0.00 0.00 175.76 173.40