#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uz3 s VAL 5 N 0.00 4.16 0.18 -1.45 -7.23 -1.26 -5.09 120.40 109.72 1uz3 s VAL 5 Ca 0.00 0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 60.88 1uz3 s VAL 5 Cb 0.00 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 1uz3 s VAL 5 CO 0.00 -0.91 0.09 0.68 -0.31 0.00 0.00 175.10 174.66 1uz3 s VAL 6 N -3.05 0.12 0.25 1.32 -7.23 -1.26 -5.19 120.40 105.36 1uz3 s VAL 6 Ca 0.58 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 1uz3 s VAL 6 Cb -0.13 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1uz3 s VAL 6 CO 0.54 -0.19 0.66 -1.66 -0.31 0.00 0.00 175.10 174.15 1uz3 s TRP 7 N -4.06 -0.20 -0.04 2.82 -2.14 -1.26 -5.13 118.94 108.93 1uz3 s TRP 7 Ca 0.33 -0.19 -0.30 0.00 2.66 0.00 0.00 56.10 58.60 1uz3 s TRP 7 Cb 0.07 0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 31.01 1uz3 s TRP 7 CO 0.08 -1.12 1.53 -2.14 -2.66 0.00 0.00 176.95 172.64 1uz3 s PRO 8 N -3.89 4.22 0.64 3.25 0.02 -1.26 -5.00 135.00 132.97 1uz3 s PRO 8 Ca 0.10 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.23 1uz3 s PRO 8 Cb -0.04 -3.80 0.10 0.00 0.02 0.00 0.00 34.50 30.78 1uz3 s PRO 8 CO 0.03 -0.74 0.88 0.95 -0.33 0.00 0.00 177.00 177.78 1uz3 s THR 9 N 3.36 2.24 0.32 0.99 -4.23 -1.26 -4.93 115.64 112.14 1uz3 s THR 9 Ca 0.68 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1uz3 s THR 9 Cb -0.32 -2.47 0.28 0.00 1.34 0.00 0.00 72.50 71.33 1uz3 s THR 9 CO 0.27 0.00 1.93 0.25 -0.54 0.00 0.00 174.62 176.53 1uz3 h LEU 10 N -0.16 0.83 -0.65 4.79 5.85 -1.99 -0.76 115.31 123.22 1uz3 h LEU 10 Ca -0.35 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 1uz3 h LEU 10 Cb 1.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1uz3 h LEU 10 CO 0.42 0.53 0.05 0.25 -0.34 0.00 0.00 178.44 179.34 1uz3 h LEU 11 N 0.94 1.06 -0.37 2.25 5.85 -1.98 0.80 115.31 123.86 1uz3 h LEU 11 Ca 0.36 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1uz3 h LEU 11 Cb 0.22 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1uz3 h LEU 11 CO -0.13 1.08 0.22 0.44 -0.34 0.00 0.00 178.44 179.71 1uz3 h ASP 12 N 1.01 0.45 -0.12 1.25 3.32 -1.67 0.28 116.42 120.94 1uz3 h ASP 12 Ca 0.19 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 1uz3 h ASP 12 Cb 0.51 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1uz3 h ASP 12 CO 0.02 0.38 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.73 1uz3 h LEU 13 N 0.49 0.46 -0.39 1.55 3.38 -0.80 -0.97 115.31 119.04 1uz3 h LEU 13 Ca 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1uz3 h LEU 13 Cb 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1uz3 h LEU 13 CO -0.02 0.63 0.19 -1.28 0.09 0.00 0.00 178.44 178.05 1uz3 h SER 14 N 0.44 0.50 -0.63 -0.43 0.87 -0.45 -0.56 113.55 113.29 1uz3 h SER 14 Ca 0.08 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1uz3 h SER 14 Cb 0.49 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1uz3 h SER 14 CO 0.03 0.48 0.15 0.03 -0.53 0.00 0.00 176.83 176.98 1uz3 h ARG 15 N 0.49 1.04 -0.83 2.24 3.08 -0.62 0.39 114.38 120.17 1uz3 h ARG 15 Ca 0.13 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1uz3 h ARG 15 Cb 0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1uz3 h ARG 15 CO -0.02 0.93 0.42 -0.44 -1.07 0.00 0.00 179.97 179.79 1uz3 h ASP 16 N 0.98 1.06 -0.51 7.04 3.32 -0.94 -1.09 116.42 126.28 1uz3 h ASP 16 Ca 0.21 -0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1uz3 h ASP 16 Cb 0.37 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1uz3 h ASP 16 CO 0.00 0.88 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.19 1uz3 h GLU 17 N 1.16 0.99 -0.95 3.56 4.81 -0.51 -1.77 114.58 121.87 1uz3 h GLU 17 Ca 0.29 -0.38 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1uz3 h GLU 17 Cb 0.09 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1uz3 h GLU 17 CO -0.04 1.06 0.62 0.00 -0.73 0.00 0.00 179.01 179.92 1uz3 h LYS 19 N 1.18 1.01 -0.59 0.00 1.57 -0.87 0.60 116.57 119.46 1uz3 h LYS 19 Ca 0.39 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1uz3 h LYS 19 Cb 0.05 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1uz3 h LYS 19 CO -0.14 0.80 0.39 0.00 -0.57 0.00 0.00 179.45 179.93 1uz3 h ARG 20 N 0.97 0.78 -0.37 3.15 3.08 -0.52 -0.50 114.38 120.98 1uz3 h ARG 20 Ca 0.24 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1uz3 h ARG 20 Cb 0.14 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1uz3 h ARG 20 CO -0.03 0.53 0.11 0.82 -1.07 0.00 0.00 179.97 180.33 1uz3 h ILE 21 N 0.80 1.22 -0.47 2.04 2.04 -0.65 -1.31 117.51 121.18 1uz3 h ILE 21 Ca 0.22 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1uz3 h ILE 21 Cb -0.08 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1uz3 h ILE 21 CO -0.05 0.25 0.17 0.25 0.00 0.00 0.00 178.15 178.77 1uz3 h LEU 22 N 0.45 0.17 -1.00 1.44 5.85 -0.70 -0.80 115.31 120.72 1uz3 h LEU 22 Ca 0.12 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1uz3 h LEU 22 Cb 0.27 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1uz3 h LEU 22 CO -0.00 0.13 0.30 0.03 -0.34 0.00 0.00 178.44 178.56 1uz3 h ARG 23 N 0.34 1.02 -0.55 1.25 3.08 -0.85 1.00 114.38 119.67 1uz3 h ARG 23 Ca 0.22 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1uz3 h ARG 23 Cb 0.23 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1uz3 h ARG 23 CO -0.23 0.81 0.14 0.87 -1.07 0.00 0.00 179.97 180.49 1uz3 h LYS 24 N 1.01 0.87 -0.68 0.04 1.57 -0.75 -0.90 116.57 117.73 1uz3 h LYS 24 Ca 0.24 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1uz3 h LYS 24 Cb 0.16 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1uz3 h LYS 24 CO -0.02 0.82 0.41 1.25 -0.57 0.00 0.00 179.45 181.33 1uz3 h LEU 25 N 0.77 0.83 -0.31 2.94 5.85 -0.57 -0.44 115.31 124.38 1uz3 h LEU 25 Ca 0.17 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1uz3 h LEU 25 Cb 0.33 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1uz3 h LEU 25 CO 0.00 0.65 0.10 -0.33 -0.34 0.00 0.00 178.44 178.53 1uz3 h GLU 26 N 0.93 0.47 -0.52 1.25 5.08 -0.63 -0.02 114.58 121.14 1uz3 h GLU 26 Ca 0.24 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1uz3 h GLU 26 Cb -0.02 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1uz3 h GLU 26 CO -0.04 0.51 -0.03 1.25 -1.00 0.00 0.00 179.01 179.70 1uz3 h LEU 27 N 0.34 0.93 -0.90 1.33 5.85 -1.02 -0.87 115.31 120.97 1uz3 h LEU 27 Ca 0.10 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1uz3 h LEU 27 Cb 0.23 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1uz3 h LEU 27 CO -0.00 1.03 0.58 -0.08 -0.34 0.00 0.00 178.44 179.62 1uz3 h GLU 28 N 0.81 1.21 -0.22 1.25 4.81 -0.97 0.54 114.58 122.01 1uz3 h GLU 28 Ca 0.14 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1uz3 h GLU 28 Cb 0.57 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1uz3 h GLU 28 CO 0.03 0.82 0.11 0.00 -0.73 0.00 0.00 179.01 179.24 1uz3 h ALA 29 N 1.32 0.29 -0.34 2.92 0.00 -0.69 -0.30 119.26 122.46 1uz3 h ALA 29 Ca 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1uz3 h ALA 29 Cb -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1uz3 h ALA 29 CO -0.07 -0.15 0.05 -0.92 0.00 0.00 0.00 179.25 178.16 1uz3 h TYR 30 N 0.23 0.60 -0.62 0.00 3.20 -0.82 -2.18 116.97 117.39 1uz3 h TYR 30 Ca 0.08 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1uz3 h TYR 30 Cb 0.12 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1uz3 h TYR 30 CO -0.02 0.64 0.41 0.00 -1.64 0.00 0.00 178.16 177.54 1uz3 h ALA 31 N 0.89 1.60 -0.72 1.82 0.00 -0.80 -1.00 119.26 121.04 1uz3 h ALA 31 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1uz3 h ALA 31 Cb 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1uz3 h ALA 31 CO 0.01 0.36 0.18 0.78 0.00 0.00 0.00 179.25 180.58 1uz3 h GLY 32 N 0.80 1.24 0.83 0.00 0.00 -0.61 0.08 103.07 105.42 1uz3 h GLY 32 Ca 0.23 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1uz3 h GLY 32 CO -0.06 0.72 -0.03 -2.08 0.00 0.00 0.00 176.54 175.10 1uz3 h VAL 33 N 1.09 1.27 -0.67 4.60 2.07 -0.79 -1.98 116.25 121.85 1uz3 h VAL 33 Ca 0.23 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1uz3 h VAL 33 Cb 0.37 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1uz3 h VAL 33 CO 0.00 0.30 0.38 0.40 0.02 0.00 0.00 177.57 178.67 1uz3 h ILE 34 N 0.18 0.99 -0.41 4.57 1.08 -0.96 -0.16 117.51 122.78 1uz3 h ILE 34 Ca 0.06 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1uz3 h ILE 34 Cb 0.46 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1uz3 h ILE 34 CO 0.02 0.13 0.27 0.28 -0.69 0.00 0.00 178.15 178.15 1uz3 h SER 35 N 0.70 0.48 -0.40 1.72 0.02 -0.83 0.69 113.55 115.94 1uz3 h SER 35 Ca 0.29 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1uz3 h SER 35 Cb 0.16 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1uz3 h SER 35 CO -0.17 0.37 0.01 0.00 -1.14 0.00 0.00 176.83 175.90 1uz3 h ALA 36 N 1.14 0.54 -0.46 3.77 0.00 -0.95 -1.65 119.26 121.65 1uz3 h ALA 36 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1uz3 h ALA 36 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1uz3 h ALA 36 CO -0.03 0.31 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 1uz3 h LEU 37 N 0.53 0.79 -0.83 0.00 3.38 -0.79 -2.02 115.31 116.36 1uz3 h LEU 37 Ca 0.12 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1uz3 h LEU 37 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1uz3 h LEU 37 CO 0.02 0.90 -0.06 -0.09 0.09 0.00 0.00 178.44 179.29 1uz3 h ARG 38 N 0.74 0.81 0.00 1.13 1.12 -0.69 -2.64 114.38 114.85 1uz3 h ARG 38 Ca 0.13 -0.25 -0.04 0.00 -1.11 0.00 0.00 59.98 58.71 1uz3 h ARG 38 Cb 0.55 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1uz3 h ARG 38 CO 0.03 0.85 -0.21 0.00 -3.11 0.00 0.00 179.97 177.54 1uz3 h ALA 39 N 1.19 1.07 0.00 2.80 0.00 -0.96 -2.52 119.26 120.83 1uz3 h ALA 39 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1uz3 h ALA 39 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1uz3 h ALA 39 CO 0.03 0.26 -0.36 1.96 0.00 0.00 0.00 179.25 181.14 1uz3 h GLN 40 N 0.00 0.00 0.00 0.00 4.20 -1.00 -3.23 115.11 115.09 1uz3 h GLN 40 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uz3 h GLN 40 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1uz3 h GLN 40 CO 0.03 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 178.95 1uz3 n GLY 41 N 0.02 0.80 3.79 3.46 0.00 -0.95 -4.61 105.19 107.71 1uz3 n GLY 41 Ca -0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1uz3 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uz3 s ASP 42 N -4.00 4.72 0.40 1.61 2.15 -1.17 -4.44 116.67 115.95 1uz3 s ASP 42 Ca 0.00 1.55 -0.26 0.00 0.43 0.00 0.00 52.55 54.27 1uz3 s ASP 42 Cb 0.00 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 40.21 1uz3 s ASP 42 CO 0.00 -1.85 1.28 -0.22 -0.17 0.00 0.00 175.17 174.21 1uz3 s LEU 43 N -5.77 4.22 0.31 -1.34 2.96 -1.26 -4.98 118.68 112.83 1uz3 s LEU 43 Ca 0.60 2.61 0.07 0.00 -0.22 0.00 0.00 54.13 57.20 1uz3 s LEU 43 Cb -0.15 -3.91 -0.06 0.00 0.50 0.00 0.00 46.19 42.57 1uz3 s LEU 43 CO 0.55 -0.81 -0.06 0.42 -1.32 0.00 0.00 176.35 175.13 1uz3 s THR 44 N -1.28 1.81 0.19 3.68 -4.23 -1.26 -4.75 115.64 109.81 1uz3 s THR 44 Ca 0.57 -2.13 -0.12 0.00 -1.18 0.00 0.00 61.69 58.82 1uz3 s THR 44 Cb -0.37 -2.57 0.10 0.00 1.34 0.00 0.00 72.50 71.00 1uz3 s THR 44 CO 0.48 -0.23 1.82 0.50 -0.54 0.00 0.00 174.62 176.64 1uz3 h LYS 45 N 2.16 0.87 -0.75 3.99 3.11 -1.99 0.54 116.57 124.50 1uz3 h LYS 45 Ca -0.41 -0.09 0.01 0.00 -2.81 0.00 0.00 60.65 57.36 1uz3 h LYS 45 Cb 1.24 -0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 32.25 1uz3 h LYS 45 CO 0.69 0.64 0.50 1.05 -2.81 0.00 0.00 179.45 179.51 1uz3 h GLU 46 N 0.87 0.98 -0.20 1.90 4.11 -1.99 0.41 114.58 120.66 1uz3 h GLU 46 Ca 0.23 -0.06 -0.14 0.00 0.07 0.00 0.00 59.36 59.46 1uz3 h GLU 46 Cb -0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1uz3 h GLU 46 CO -0.04 0.65 -0.48 0.87 0.07 0.00 0.00 179.01 180.08 1uz3 h LYS 47 N 1.01 0.52 -0.67 1.06 1.57 -1.87 -1.80 116.57 116.38 1uz3 h LYS 47 Ca 0.28 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1uz3 h LYS 47 Cb -0.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1uz3 h LYS 47 CO -0.07 0.88 0.44 -0.22 -0.57 0.00 0.00 179.45 179.92 1uz3 h LYS 48 N 0.41 0.89 -0.59 3.15 3.64 -0.14 0.26 116.57 124.19 1uz3 h LYS 48 Ca 0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1uz3 h LYS 48 Cb 0.99 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 1uz3 h LYS 48 CO 0.09 0.60 0.29 -0.44 -2.27 0.00 0.00 179.45 177.72 1uz3 h ASP 49 N 0.91 0.77 -0.24 4.20 3.32 -0.76 -0.39 116.42 124.24 1uz3 h ASP 49 Ca 0.25 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1uz3 h ASP 49 Cb -0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1uz3 h ASP 49 CO -0.05 0.69 0.09 0.25 -1.72 0.00 0.00 179.24 178.50 1uz3 h LEU 50 N 0.81 0.34 -1.32 1.55 5.85 -0.84 -1.94 115.31 119.76 1uz3 h LEU 50 Ca 0.20 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1uz3 h LEU 50 Cb 0.12 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1uz3 h LEU 50 CO -0.03 0.42 0.48 -0.07 -0.34 0.00 0.00 178.44 178.91 1uz3 h LEU 51 N 0.24 0.75 -0.80 2.25 3.38 -0.69 -0.56 115.31 119.88 1uz3 h LEU 51 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uz3 h LEU 51 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1uz3 h LEU 51 CO -0.01 0.51 0.52 1.23 0.09 0.00 0.00 178.44 180.79 1uz3 h GLY 52 N 0.87 1.14 1.13 0.83 0.00 -0.34 0.46 103.07 107.16 1uz3 h GLY 52 Ca 0.30 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1uz3 h GLY 52 CO -0.09 0.43 -0.27 0.83 0.00 0.00 0.00 176.54 177.43 1uz3 h GLU 53 N 1.09 0.98 -0.54 4.80 4.39 -0.77 -2.71 114.58 121.82 1uz3 h GLU 53 Ca 0.29 -0.45 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 1uz3 h GLU 53 Cb -0.11 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1uz3 h GLU 53 CO -0.06 1.12 0.04 -0.07 -1.16 0.00 0.00 179.01 178.87 1uz3 h LEU 54 N 0.83 0.85 -1.17 1.33 3.38 -0.80 -1.68 115.31 118.05 1uz3 h LEU 54 Ca 0.09 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1uz3 h LEU 54 Cb 0.86 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1uz3 h LEU 54 CO 0.08 0.89 -0.30 0.77 0.09 0.00 0.00 178.44 179.98 1uz3 h SER 55 N 0.83 0.20 -0.08 -0.43 4.64 -0.86 -0.15 113.55 117.70 1uz3 h SER 55 Ca 0.16 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1uz3 h SER 55 Cb 0.44 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1uz3 h SER 55 CO 0.02 0.50 -0.07 0.11 -0.87 0.00 0.00 176.83 176.51 1uz3 h LYS 56 N 0.18 0.19 0.00 4.77 1.57 -1.10 0.69 116.57 122.87 1uz3 h LYS 56 Ca 0.03 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1uz3 h LYS 56 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1uz3 h LYS 56 CO 0.04 0.61 -0.47 -0.24 -0.57 0.00 0.00 179.45 178.82 1uz3 h VAL 57 N -0.22 1.23 -0.17 0.50 3.04 -0.98 -2.76 116.25 116.90 1uz3 h VAL 57 Ca 0.01 -1.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.02 1uz3 h VAL 57 Cb 0.57 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 1uz3 h VAL 57 CO 0.02 0.46 0.00 0.18 -1.01 0.00 0.00 177.57 177.22 1uz3 n LEU 58 N -3.81 2.28 -3.50 3.16 4.77 -0.10 -4.97 117.00 114.83 1uz3 n LEU 58 Ca -0.01 -0.89 -0.18 0.00 -0.03 0.00 0.00 56.01 54.89 1uz3 n LEU 58 Cb 0.52 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1uz3 n LEU 58 CO 0.39 0.45 0.06 -1.20 -1.33 0.00 0.00 177.39 175.76 1uz3 n SER 59 N 0.74 -1.86 -4.52 -1.43 7.64 -0.39 -4.77 113.62 109.03 1uz3 n SER 59 Ca 0.17 -0.67 -0.37 0.00 1.01 0.00 0.00 58.87 59.01 1uz3 n SER 59 Cb 0.45 -4.85 -0.12 0.00 -1.01 0.00 0.00 64.21 58.67 1uz3 n SER 59 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uz3 s ILE 60 N -3.44 4.68 0.75 0.44 -1.09 0.10 -5.02 121.20 117.62 1uz3 s ILE 60 Ca 0.01 -0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.27 1uz3 s ILE 60 Cb -0.00 -3.19 0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1uz3 s ILE 60 CO 0.75 0.33 1.08 -0.94 -1.23 0.00 0.00 174.94 174.93 1uz3 s SER 61 N 1.48 4.81 0.41 3.58 1.04 -1.26 -4.67 113.70 119.08 1uz3 s SER 61 Ca 0.06 1.60 0.07 0.00 0.48 0.00 0.00 55.95 58.17 1uz3 s SER 61 Cb -0.15 -2.39 0.85 0.00 0.10 0.00 0.00 66.02 64.43 1uz3 s SER 61 CO 0.05 -1.81 2.03 0.71 0.98 0.00 0.00 173.24 175.21 1uz3 h THR 62 N -0.97 1.12 -0.02 2.02 1.35 -1.98 -0.30 112.91 114.12 1uz3 h THR 62 Ca -0.45 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1uz3 h THR 62 Cb 1.23 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1uz3 h THR 62 CO 0.56 0.13 0.01 1.05 -0.25 0.00 0.00 175.52 177.01 1uz3 h GLU 63 N 0.49 0.03 -0.27 4.72 4.11 -1.99 -1.07 114.58 120.59 1uz3 h GLU 63 Ca 0.13 -0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.44 1uz3 h GLU 63 Cb 0.02 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1uz3 h GLU 63 CO -0.02 0.12 -0.29 -0.09 0.07 0.00 0.00 179.01 178.79 1uz3 h ARG 64 N -0.07 0.55 0.25 1.06 9.65 -1.81 -1.28 114.38 122.73 1uz3 h ARG 64 Ca 0.01 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1uz3 h ARG 64 Cb 0.10 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1uz3 h ARG 64 CO -0.00 0.79 -0.20 1.25 2.80 0.00 0.00 179.97 184.61 1uz3 h HIS 65 N 0.48 -0.51 -0.95 2.20 2.76 -0.83 -0.64 115.15 117.65 1uz3 h HIS 65 Ca 0.06 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1uz3 h HIS 65 Cb 0.75 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 29.86 1uz3 h HIS 65 CO 0.03 -0.30 0.59 0.00 -1.30 0.00 0.00 177.93 176.95 1uz3 h ARG 66 N -0.45 1.27 -0.40 5.26 3.08 -1.03 0.03 114.38 122.14 1uz3 h ARG 66 Ca -0.01 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 1uz3 h ARG 66 Cb 0.40 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1uz3 h ARG 66 CO -0.01 0.88 0.01 0.00 -1.07 0.00 0.00 179.97 179.77 1uz3 h ALA 67 N 1.32 1.28 -0.38 0.04 0.00 -1.01 -1.16 119.26 119.36 1uz3 h ALA 67 Ca 0.34 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1uz3 h ALA 67 Cb -0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1uz3 h ALA 67 CO -0.07 0.49 -0.32 0.93 0.00 0.00 0.00 179.25 180.28 1uz3 h GLU 68 N 0.59 0.84 -0.35 0.00 4.39 -0.30 -1.18 114.58 118.58 1uz3 h GLU 68 Ca 0.12 -0.40 0.04 0.00 0.34 0.00 0.00 59.36 59.46 1uz3 h GLU 68 Cb 0.36 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1uz3 h GLU 68 CO 0.01 1.04 0.13 0.28 -1.16 0.00 0.00 179.01 179.31 1uz3 h VAL 69 N 0.70 0.92 -0.51 3.13 2.07 -0.72 -1.36 116.25 120.48 1uz3 h VAL 69 Ca 0.07 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1uz3 h VAL 69 Cb 0.87 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1uz3 h VAL 69 CO 0.08 0.05 0.12 0.03 0.02 0.00 0.00 177.57 177.87 1uz3 h ARG 70 N 0.28 0.82 -0.53 1.57 3.08 -1.13 -0.09 114.38 118.38 1uz3 h ARG 70 Ca 0.15 -0.20 0.09 0.00 0.07 0.00 0.00 59.98 60.09 1uz3 h ARG 70 Cb 0.12 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 1uz3 h ARG 70 CO -0.15 0.79 0.13 -0.09 -1.07 0.00 0.00 179.97 179.58 1uz3 h ARG 71 N 0.70 0.26 -0.27 0.04 2.43 -0.95 -1.14 114.38 115.46 1uz3 h ARG 71 Ca 0.16 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1uz3 h ARG 71 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1uz3 h ARG 71 CO 0.00 0.17 -0.21 0.00 -1.51 0.00 0.00 179.97 178.43 1uz3 h ALA 72 N 1.40 0.38 -0.70 2.80 0.00 -0.75 -1.54 119.26 120.85 1uz3 h ALA 72 Ca 0.27 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1uz3 h ALA 72 Cb 0.35 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1uz3 h ALA 72 CO -0.33 0.33 0.32 -0.24 0.00 0.00 0.00 179.25 179.33 1uz3 h VAL 73 N 0.34 0.80 0.00 0.00 3.04 -0.78 -2.92 116.25 116.73 1uz3 h VAL 73 Ca 0.05 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1uz3 h VAL 73 Cb 0.75 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1uz3 h VAL 73 CO 0.05 0.10 -0.17 0.59 -1.01 0.00 0.00 177.57 177.13 1uz3 n ASN 74 N -4.91 0.61 -4.66 3.17 3.02 -0.45 -4.72 115.26 107.32 1uz3 n ASN 74 Ca 0.11 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.64 1uz3 n ASN 74 Cb 0.30 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1uz3 n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1uz3 s ASP 75 N -4.07 6.68 0.29 6.41 -1.08 -0.59 -4.88 116.67 119.44 1uz3 s ASP 75 Ca 0.10 2.18 0.01 0.00 -0.52 0.00 0.00 52.55 54.32 1uz3 s ASP 75 Cb 0.14 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.52 1uz3 s ASP 75 CO 0.62 -0.92 1.81 -0.33 0.52 0.00 0.00 175.17 176.88 1uz3 h GLU 76 N 9.45 0.69 -0.21 4.34 5.08 -1.89 -0.44 114.58 131.60 1uz3 h GLU 76 Ca -0.38 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1uz3 h GLU 76 Cb 1.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1uz3 h GLU 76 CO 0.96 0.69 0.08 -0.09 -1.00 0.00 0.00 179.01 179.65 1uz3 h ARG 77 N 0.66 0.33 -0.51 2.33 2.43 -1.96 -0.45 114.38 117.19 1uz3 h ARG 77 Ca 0.14 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1uz3 h ARG 77 Cb 0.38 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1uz3 h ARG 77 CO 0.01 0.40 0.02 -0.07 -1.51 0.00 0.00 179.97 178.82 1uz3 h LEU 78 N 0.19 0.82 -0.79 3.80 3.38 -1.81 -0.69 115.31 120.20 1uz3 h LEU 78 Ca 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 1uz3 h LEU 78 Cb 0.20 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1uz3 h LEU 78 CO -0.00 0.88 0.35 0.74 0.09 0.00 0.00 178.44 180.50 1uz3 h THR 79 N 0.80 1.26 -0.54 0.22 2.02 -0.92 -1.22 112.91 114.52 1uz3 h THR 79 Ca 0.16 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1uz3 h THR 79 Cb 0.45 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1uz3 h THR 79 CO 0.02 0.31 0.30 0.74 0.37 0.00 0.00 175.52 177.26 1uz3 h THR 80 N 1.14 1.18 -0.26 3.16 2.02 -0.68 -0.03 112.91 119.42 1uz3 h THR 80 Ca 0.27 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1uz3 h THR 80 Cb 0.16 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1uz3 h THR 80 CO -0.03 0.19 0.14 0.40 0.37 0.00 0.00 175.52 176.60 1uz3 h ILE 81 N 0.73 1.12 -0.95 3.11 1.08 -0.80 -1.20 117.51 120.60 1uz3 h ILE 81 Ca 0.19 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 1uz3 h ILE 81 Cb 0.04 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 1uz3 h ILE 81 CO -0.03 0.12 0.62 0.00 -0.69 0.00 0.00 178.15 178.17 1uz3 h ALA 82 N 1.02 1.22 -0.86 1.87 0.00 -1.06 0.20 119.26 121.66 1uz3 h ALA 82 Ca 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1uz3 h ALA 82 Cb 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 1uz3 h ALA 82 CO -0.01 0.56 0.56 1.25 0.00 0.00 0.00 179.25 181.61 1uz3 h HIS 83 N 1.25 1.06 -0.26 0.00 -0.00 -0.54 0.25 115.15 116.92 1uz3 h HIS 83 Ca 0.36 0.03 -0.18 0.00 -0.00 0.00 0.00 60.37 60.57 1uz3 h HIS 83 Cb -0.09 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 26.96 1uz3 h HIS 83 CO -0.01 0.64 -0.54 -0.91 -0.00 0.00 0.00 177.93 177.12 1uz3 h ASN 84 N 1.13 0.93 0.41 3.26 2.35 -0.65 -2.18 115.58 120.82 1uz3 h ASN 84 Ca 0.33 -0.54 -0.31 0.00 -0.55 0.00 0.00 56.30 55.22 1uz3 h ASN 84 Cb -0.07 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1uz3 h ASN 84 CO -0.09 1.30 -1.66 0.24 -1.65 0.00 0.00 177.43 175.57 1uz3 h MET 85 N 0.59 0.17 0.00 0.81 2.86 -0.33 -3.41 114.93 115.62 1uz3 h MET 85 Ca 0.01 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1uz3 h MET 85 Cb 1.15 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1uz3 h MET 85 CO 0.12 0.95 -0.98 0.43 1.06 0.00 0.00 176.91 178.49 1uz3 n SER 86 N -3.34 4.91 0.00 1.22 7.64 0.82 -5.07 113.62 119.81 1uz3 n SER 86 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1uz3 n SER 86 Cb 1.04 0.90 0.00 0.00 -1.01 0.00 0.00 64.21 65.14 1uz3 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uz3 n GLY 87 N 2.54 0.77 0.00 0.23 0.00 -0.77 -4.65 105.19 103.32 1uz3 n GLY 87 Ca 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.89 1uz3 n GLY 87 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uz3 n PRO 88 N -0.05 0.05 -0.87 1.61 -0.02 -1.26 -3.96 135.00 130.49 1uz3 n PRO 88 Ca 0.00 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 1uz3 n PRO 88 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1uz3 n PRO 88 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1uz3 n ASN 89 N -1.40 5.74 -0.81 2.55 5.03 -1.26 -4.77 115.26 120.34 1uz3 n ASN 89 Ca 0.02 -2.70 0.10 0.00 0.87 0.00 0.00 54.58 52.88 1uz3 n ASN 89 Cb 0.06 -1.21 0.10 0.00 -1.02 0.00 0.00 39.78 37.71 1uz3 n ASN 89 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1uz3 n SER 90 N 1.42 2.71 0.00 6.41 3.41 -1.25 -4.52 113.62 121.80 1uz3 n SER 90 Ca 0.26 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1uz3 n SER 90 Cb 0.64 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1uz3 n SER 90 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1uz3 n SER 91 N 1.12 0.20 -4.11 4.04 7.64 -1.26 -3.02 113.62 118.22 1uz3 n SER 91 Ca 0.12 -1.03 -0.29 0.00 1.01 0.00 0.00 58.87 58.68 1uz3 n SER 91 Cb 0.50 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.96 1uz3 n SER 91 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uz3 s SER 92 N -0.03 0.26 0.00 6.43 0.15 -1.26 -1.07 113.70 118.18 1uz3 s SER 92 Ca 0.00 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1uz3 s SER 92 Cb 0.00 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 1uz3 s SER 92 CO 0.00 -4.60 0.00 -0.62 1.20 0.00 0.00 173.24 169.22 1uz3 n GLU 93 N -5.16 0.00 0.03 5.44 -0.58 -1.26 -4.08 120.64 115.03 1uz3 n GLU 93 Ca 0.06 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 1uz3 n GLU 93 Cb 0.57 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.38 1uz3 n GLU 93 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 1uz3 h TRP 94 N 0.00 -0.11 -0.42 -0.32 4.06 -1.77 -1.67 115.95 115.72 1uz3 h TRP 94 Ca 0.00 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 1uz3 h TRP 94 Cb 0.00 0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1uz3 h TRP 94 CO 0.00 -0.08 0.17 0.77 -3.56 0.00 0.00 178.44 175.74 1uz3 h SER 95 N -0.07 0.53 -0.68 -3.49 0.02 -1.25 -0.42 113.55 108.20 1uz3 h SER 95 Ca 0.03 -0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1uz3 h SER 95 Cb 0.11 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1uz3 h SER 95 CO -0.08 0.49 0.19 0.40 -1.14 0.00 0.00 176.83 176.69 1uz3 h ILE 96 N 0.59 1.26 -0.39 3.27 2.04 -1.77 -2.62 117.51 119.89 1uz3 h ILE 96 Ca 0.15 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 1uz3 h ILE 96 Cb 0.12 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1uz3 h ILE 96 CO -0.01 0.35 0.03 -0.08 0.00 0.00 0.00 178.15 178.43 1uz3 h GLU 97 N 1.01 0.60 0.00 2.37 4.57 -0.55 -2.19 114.58 120.39 1uz3 h GLU 97 Ca 0.22 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1uz3 h GLU 97 Cb 0.33 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1uz3 h GLU 97 CO -0.00 0.60 0.00 0.41 -1.18 0.00 0.00 179.01 178.84 1uz3 n GLY 98 N -0.86 -1.35 0.00 1.92 0.00 -0.24 -1.92 105.19 102.74 1uz3 n GLY 98 Ca 0.02 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1uz3 n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uz3 n ARG 99 N -1.83 0.05 0.00 1.61 1.74 -0.84 -4.89 116.66 112.49 1uz3 n ARG 99 Ca 0.05 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1uz3 n ARG 99 Cb 0.29 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1uz3 n ARG 99 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00