#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puz n MET 2 N 0.00 -4.27 -3.66 0.03 0.00 -1.26 -4.97 117.12 102.99 1puz n MET 2 Ca 0.00 3.10 -0.31 0.00 0.00 0.00 0.00 57.70 60.49 1puz n MET 2 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 33.22 29.75 1puz n MET 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1puz s VAL 3 N -2.02 5.16 0.47 1.12 1.01 -1.26 -5.06 120.40 119.82 1puz s VAL 3 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 1puz s VAL 3 Cb 0.00 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 1puz s VAL 3 CO 0.00 0.01 1.30 0.12 0.00 0.00 0.00 175.10 176.53 1puz s PHE 4 N -1.69 2.60 -0.03 5.22 5.36 -1.26 -4.77 117.98 123.41 1puz s PHE 4 Ca 0.41 1.41 -0.21 0.00 -0.96 0.00 0.00 56.93 57.58 1puz s PHE 4 Cb -0.12 -3.68 0.07 0.00 -0.34 0.00 0.00 43.02 38.95 1puz s PHE 4 CO 0.25 -2.34 0.94 -0.40 -1.46 0.00 0.00 175.22 172.22 1puz n ASP 5 N -0.46 -0.84 -0.39 6.13 5.68 -1.26 -4.92 116.55 120.49 1puz n ASP 5 Ca 0.07 -1.14 0.35 0.00 -0.50 0.00 0.00 54.79 53.56 1puz n ASP 5 Cb 0.45 1.29 0.62 0.00 -1.14 0.00 0.00 41.12 42.34 1puz n ASP 5 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1puz h ASP 6 N 1.44 0.29 0.47 -1.12 3.32 -2.01 1.03 116.42 119.84 1puz h ASP 6 Ca -0.15 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1puz h ASP 6 Cb 0.85 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1puz h ASP 6 CO 0.22 -0.32 -0.23 0.40 -1.72 0.00 0.00 179.24 177.60 1puz h ILE 7 N 0.04 0.53 -0.95 0.35 5.03 -1.94 -2.57 117.51 118.00 1puz h ILE 7 Ca 0.85 -0.16 0.29 0.00 -0.12 0.00 0.00 64.86 65.72 1puz h ILE 7 Cb 2.44 0.60 -0.16 0.00 -3.03 0.00 0.00 36.82 36.67 1puz h ILE 7 CO -0.61 0.03 0.27 0.00 -0.68 0.00 0.00 178.15 177.16 1puz h ALA 8 N -0.24 1.48 -0.34 1.87 0.00 0.78 0.63 119.26 123.43 1puz h ALA 8 Ca -0.06 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1puz h ALA 8 Cb 0.53 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 1puz h ALA 8 CO 0.11 -0.60 -0.48 -0.22 0.00 0.00 0.00 179.25 178.05 1puz h LYS 9 N 0.12 -0.34 -0.50 0.00 1.63 -0.96 1.06 116.57 117.59 1puz h LYS 9 Ca 0.64 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.40 1puz h LYS 9 Cb 1.42 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 33.11 1puz h LYS 9 CO -0.75 -0.22 0.06 -0.09 -3.45 0.00 0.00 179.45 174.99 1puz h ARG 10 N -0.35 0.85 -0.30 1.90 9.65 -0.53 -3.03 114.38 122.58 1puz h ARG 10 Ca 0.06 -0.24 0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1puz h ARG 10 Cb 0.52 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 28.92 1puz h ARG 10 CO -0.51 0.86 -0.28 -0.22 2.80 0.00 0.00 179.97 182.62 1puz h LYS 11 N 0.72 -0.25 -0.98 0.20 1.63 0.14 1.68 116.57 119.71 1puz h LYS 11 Ca 0.15 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.15 1puz h LYS 11 Cb 0.43 0.06 -0.18 0.00 -0.60 0.00 0.00 32.23 31.94 1puz h LYS 11 CO 0.01 -0.17 -0.29 1.51 -3.45 0.00 0.00 179.45 177.07 1puz n ILE 12 N -5.40 -0.45 -0.04 2.00 0.00 0.35 0.16 119.36 115.98 1puz n ILE 12 Ca -0.00 2.27 -0.13 0.00 0.00 0.00 0.00 62.75 64.88 1puz n ILE 12 Cb 0.31 -3.09 -0.11 0.00 0.00 0.00 0.00 39.64 36.75 1puz n ILE 12 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1puz h ARG 13 N 0.00 -0.01 -1.18 9.51 3.08 -1.07 -2.63 114.38 122.07 1puz h ARG 13 Ca 0.43 0.00 0.34 0.00 0.07 0.00 0.00 59.98 60.82 1puz h ARG 13 Cb 0.67 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 1puz h ARG 13 CO -1.00 0.74 0.84 0.35 -1.07 0.00 0.00 179.97 179.83 1puz h PHE 14 N -0.79 0.05 0.04 3.04 3.04 0.47 0.17 116.94 122.96 1puz h PHE 14 Ca -0.00 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 1puz h PHE 14 Cb 0.75 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.26 1puz h PHE 14 CO 0.19 0.00 -0.28 1.96 -2.02 0.00 0.00 178.31 178.16 1puz h GLN 15 N 0.03 0.12 0.00 1.11 4.20 0.15 -3.46 115.11 117.25 1puz h GLN 15 Ca 0.57 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1puz h GLN 15 Cb 2.22 0.06 0.00 0.00 0.30 0.00 0.00 27.48 30.07 1puz h GLN 15 CO -0.03 1.04 0.00 0.25 -0.67 0.00 0.00 178.83 179.42 1puz n THR 16 N -4.46 0.00 -1.23 -0.54 -2.24 0.58 -4.88 114.28 101.51 1puz n THR 16 Ca -0.11 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.81 1puz n THR 16 Cb 0.58 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1puz n THR 16 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1puz n ARG 17 N -0.32 -2.41 -1.26 -0.78 1.85 -1.26 -4.99 116.66 107.49 1puz n ARG 17 Ca 0.00 1.81 0.00 0.00 -1.00 0.00 0.00 57.85 58.66 1puz n ARG 17 Cb 0.00 -3.00 0.00 0.00 -1.05 0.00 0.00 32.46 28.41 1puz n ARG 17 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1puz n ARG 18 N -3.78 -2.81 0.00 2.89 0.63 -1.26 -4.68 116.66 107.64 1puz n ARG 18 Ca -0.03 2.22 0.00 0.00 -0.92 0.00 0.00 57.85 59.12 1puz n ARG 18 Cb 0.64 -2.15 0.00 0.00 0.45 0.00 0.00 32.46 31.40 1puz n ARG 18 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1puz n GLY 19 N 0.87 2.83 2.98 5.14 0.00 -1.26 -3.40 105.19 112.36 1puz n GLY 19 Ca 0.00 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1puz n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1puz s LEU 20 N 0.00 2.10 0.00 0.99 1.02 -1.26 -4.56 118.68 116.97 1puz s LEU 20 Ca 0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 54.13 53.87 1puz s LEU 20 Cb 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 46.19 46.00 1puz s LEU 20 CO 0.00 -0.04 0.84 0.25 0.02 0.00 0.00 176.35 177.42 1puz h LEU 21 N 5.49 -0.10 -0.96 1.79 5.85 -2.00 -2.37 115.31 123.01 1puz h LEU 21 Ca -0.30 0.00 0.31 0.00 0.84 0.00 0.00 57.88 58.73 1puz h LEU 21 Cb 1.20 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.09 1puz h LEU 21 CO 0.47 -0.06 0.31 -0.08 -0.34 0.00 0.00 178.44 178.74 1puz h GLU 22 N -0.14 0.12 -0.17 1.25 4.57 -1.99 0.51 114.58 118.73 1puz h GLU 22 Ca -0.01 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1puz h GLU 22 Cb 0.09 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 1puz h GLU 22 CO 0.02 0.08 -0.31 1.25 -1.18 0.00 0.00 179.01 178.86 1puz h LEU 23 N 0.12 -0.99 -1.26 1.64 7.12 -1.94 1.41 115.31 121.41 1puz h LEU 23 Ca 0.67 0.15 0.27 0.00 0.13 0.00 0.00 57.88 59.10 1puz h LEU 23 Cb 1.52 0.43 -0.10 0.00 -0.53 0.00 0.00 40.66 41.97 1puz h LEU 23 CO -0.75 -0.35 0.65 -0.78 -0.13 0.00 0.00 178.44 177.09 1puz h ASP 24 N -0.37 0.50 0.03 1.25 3.58 0.56 0.72 116.42 122.70 1puz h ASP 24 Ca 0.11 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 1puz h ASP 24 Cb 0.54 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1puz h ASP 24 CO -0.38 0.08 -0.01 -0.07 -2.88 0.00 0.00 179.24 175.98 1puz h LEU 25 N 0.43 -0.03 -0.72 2.28 3.38 -0.06 -3.27 115.31 117.33 1puz h LEU 25 Ca 0.62 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1puz h LEU 25 Cb 1.47 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 42.14 1puz h LEU 25 CO -0.35 0.71 -0.43 -0.38 0.09 0.00 0.00 178.44 178.08 1puz n ILE 26 N -4.75 -0.49 -0.34 1.22 5.41 0.45 0.18 119.36 121.03 1puz n ILE 26 Ca -0.09 2.04 -0.03 0.00 1.00 0.00 0.00 62.75 65.67 1puz n ILE 26 Cb 0.35 -2.55 0.01 0.00 -0.71 0.00 0.00 39.64 36.74 1puz n ILE 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1puz h PHE 27 N 0.00 -1.18 -0.93 1.39 0.04 -1.36 1.63 116.94 116.54 1puz h PHE 27 Ca 0.12 0.10 0.25 0.00 2.80 0.00 0.00 57.97 61.23 1puz h PHE 27 Cb 0.30 0.64 -0.17 0.00 2.20 0.00 0.00 35.95 38.92 1puz h PHE 27 CO -0.93 -0.40 0.03 0.78 -0.60 0.00 0.00 178.31 177.19 1puz h GLY 28 N -0.05 1.16 0.00 -1.45 0.00 -0.32 1.53 103.07 103.94 1puz h GLY 28 Ca 0.29 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1puz h GLY 28 CO -0.91 -0.45 -0.20 3.21 0.00 0.00 0.00 176.54 178.19 1puz h ARG 29 N 0.05 0.00 -0.94 4.80 2.47 0.32 -3.09 114.38 117.99 1puz h ARG 29 Ca 0.55 0.00 0.26 0.00 -1.26 0.00 0.00 59.98 59.53 1puz h ARG 29 Cb 1.10 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 29.25 1puz h ARG 29 CO -0.85 0.00 0.11 0.35 0.56 0.00 0.00 179.97 180.14 1puz h PHE 30 N -0.77 0.11 -0.49 3.04 3.57 0.24 1.19 116.94 123.83 1puz h PHE 30 Ca 0.00 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1puz h PHE 30 Cb 0.20 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1puz h PHE 30 CO -0.09 -0.36 -0.00 0.00 -2.23 0.00 0.00 178.31 175.63 1puz h MET 31 N 0.07 0.81 0.00 1.11 -0.00 0.20 0.26 114.93 117.39 1puz h MET 31 Ca 0.58 -0.22 -0.04 0.00 -0.00 0.00 0.00 59.70 60.02 1puz h MET 31 Cb 1.22 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.72 1puz h MET 31 CO -0.82 0.82 -0.20 1.49 -0.00 0.00 0.00 176.91 178.20 1puz h GLU 32 N 0.76 0.00 -0.02 -0.10 4.81 0.14 2.08 114.58 122.25 1puz h GLU 32 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1puz h GLU 32 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1puz h GLU 32 CO 0.02 0.20 -0.31 1.63 -0.73 0.00 0.00 179.01 179.82 1puz n LYS 33 N -3.87 1.54 0.00 1.92 5.02 0.06 -4.07 118.16 118.75 1puz n LYS 33 Ca -0.02 -1.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1puz n LYS 33 Cb 0.30 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1puz n GLU 34 N 0.37 0.00 -0.33 1.97 -0.58 0.86 -4.77 120.64 118.17 1puz n GLU 34 Ca 0.11 0.00 0.31 0.00 -0.42 0.00 0.00 57.16 57.17 1puz n GLU 34 Cb 0.50 0.00 0.67 0.00 -0.57 0.00 0.00 31.44 32.04 1puz n GLU 34 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1puz h PHE 35 N 0.00 0.22 0.00 -0.32 3.04 0.29 2.31 116.94 122.48 1puz h PHE 35 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1puz h PHE 35 Cb 0.00 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1puz h PHE 35 CO 0.00 0.01 0.00 -1.91 -2.02 0.00 0.00 178.31 174.39 1puz n GLU 36 N -4.34 0.03 0.00 1.11 0.00 0.18 -3.26 120.64 114.36 1puz n GLU 36 Ca 0.26 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.74 1puz n GLU 36 Cb 1.14 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 31.08 1puz n GLU 36 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1puz n HIS 37 N -1.46 0.00 -1.48 4.31 -0.00 0.65 -5.03 115.22 112.21 1puz n HIS 37 Ca 0.03 0.00 -0.59 0.00 0.46 0.00 0.00 57.72 57.61 1puz n HIS 37 Cb 0.10 0.03 -0.10 0.00 -0.12 0.00 0.00 29.99 29.90 1puz n HIS 37 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1puz n LEU 38 N -2.27 1.43 -4.80 0.27 4.77 0.54 -4.89 117.00 112.05 1puz n LEU 38 Ca 0.00 0.81 -0.29 0.00 -0.03 0.00 0.00 56.01 56.49 1puz n LEU 38 Cb 0.32 -1.01 0.17 0.00 -2.33 0.00 0.00 43.42 40.58 1puz n LEU 38 CO 0.00 -0.71 0.75 -0.44 -1.33 0.00 0.00 177.39 175.66 1puz s SER 39 N 5.17 2.82 0.10 -1.43 0.01 -1.26 -4.44 113.70 114.67 1puz s SER 39 Ca 1.11 0.63 -0.24 0.00 1.31 0.00 0.00 55.95 58.76 1puz s SER 39 Cb -1.29 -0.94 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1puz s SER 39 CO 0.66 -2.95 1.41 -0.78 0.41 0.00 0.00 173.24 171.99 1puz h ASP 40 N -1.78 -1.47 -0.42 2.44 3.58 -1.98 1.92 116.42 118.70 1puz h ASP 40 Ca -0.47 0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.25 1puz h ASP 40 Cb 1.29 0.62 -0.09 0.00 1.72 0.00 0.00 39.33 42.87 1puz h ASP 40 CO 0.47 -0.27 -0.47 0.50 -2.88 0.00 0.00 179.24 176.60 1puz h LYS 41 N -0.22 -0.33 -0.32 0.28 3.64 -2.00 0.03 116.57 117.65 1puz h LYS 41 Ca 0.07 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1puz h LYS 41 Cb 0.41 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.24 1puz h LYS 41 CO -0.52 -0.22 -0.09 0.93 -2.27 0.00 0.00 179.45 177.29 1puz h GLU 42 N -0.34 -0.01 -1.53 1.90 5.08 -1.43 0.22 114.58 118.47 1puz h GLU 42 Ca 0.12 0.00 0.44 0.00 -1.00 0.00 0.00 59.36 58.93 1puz h GLU 42 Cb 0.59 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 1puz h GLU 42 CO -0.59 -0.01 1.10 -0.07 -1.00 0.00 0.00 179.01 178.44 1puz h LEU 43 N -0.01 0.00 -0.56 1.33 3.38 0.48 1.37 115.31 121.31 1puz h LEU 43 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1puz h LEU 43 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1puz h LEU 43 CO -0.34 -0.00 0.35 -1.28 0.09 0.00 0.00 178.44 177.27 1puz h SER 44 N 0.00 0.66 0.81 -0.43 0.87 0.35 -1.98 113.55 113.83 1puz h SER 44 Ca 0.73 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 61.21 1puz h SER 44 Cb 2.92 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 64.72 1puz h SER 44 CO -0.01 0.50 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.07 1puz h GLU 45 N 0.76 -1.05 -0.96 2.24 4.39 0.18 -3.09 114.58 117.05 1puz h GLU 45 Ca 0.20 0.07 0.22 0.00 0.34 0.00 0.00 59.36 60.19 1puz h GLU 45 Cb -0.05 0.24 -0.18 0.00 -0.10 0.00 0.00 28.75 28.66 1puz h GLU 45 CO -0.04 -0.69 -0.14 0.35 -1.16 0.00 0.00 179.01 177.33 1puz h PHE 46 N -1.26 -0.33 -1.01 4.33 3.04 -1.40 1.42 116.94 121.73 1puz h PHE 46 Ca -0.11 0.08 0.25 0.00 3.98 0.00 0.00 57.97 62.17 1puz h PHE 46 Cb 0.84 0.30 -0.12 0.00 2.56 0.00 0.00 35.95 39.53 1puz h PHE 46 CO -0.00 -0.41 0.60 0.77 -2.02 0.00 0.00 178.31 177.25 1puz h SER 47 N 0.01 0.66 0.14 0.41 0.02 -1.27 0.50 113.55 114.01 1puz h SER 47 Ca 0.50 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.58 1puz h SER 47 Cb 0.88 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1puz h SER 47 CO -0.95 0.10 -0.07 -0.08 -1.14 0.00 0.00 176.83 174.69 1puz h GLU 48 N 0.56 -0.18 -0.91 3.45 4.57 0.20 -2.50 114.58 119.77 1puz h GLU 48 Ca 0.64 0.01 0.25 0.00 -1.18 0.00 0.00 59.36 59.09 1puz h GLU 48 Cb 1.26 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 1puz h GLU 48 CO -0.46 -0.12 0.34 0.82 -1.18 0.00 0.00 179.01 178.41 1puz h ILE 49 N -0.22 0.34 -0.95 2.32 2.04 -1.04 1.60 117.51 121.61 1puz h ILE 49 Ca -0.02 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 65.96 1puz h ILE 49 Cb 0.14 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 1puz h ILE 49 CO 0.03 0.05 0.61 -0.07 0.00 0.00 0.00 178.15 178.78 1puz h LEU 50 N 0.27 0.48 -1.38 1.44 3.38 0.05 0.43 115.31 119.98 1puz h LEU 50 Ca 0.60 0.06 0.45 0.00 0.09 0.00 0.00 57.88 59.07 1puz h LEU 50 Cb 1.23 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 1puz h LEU 50 CO -0.62 0.18 0.93 -0.62 0.09 0.00 0.00 178.44 178.39 1puz n GLU 51 N -4.57 -0.02 -2.75 1.13 -0.58 0.55 -4.26 120.64 110.15 1puz n GLU 51 Ca 0.21 1.07 -0.34 0.00 -0.42 0.00 0.00 57.16 57.68 1puz n GLU 51 Cb 0.70 -2.21 -0.06 0.00 -0.57 0.00 0.00 31.44 29.30 1puz n GLU 51 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1puz s PHE 52 N -4.94 3.32 0.95 -0.32 0.08 0.14 -5.06 117.98 112.15 1puz s PHE 52 Ca -0.06 1.64 -0.15 0.00 0.12 0.00 0.00 56.93 58.48 1puz s PHE 52 Cb 0.27 -2.92 0.17 0.00 -0.57 0.00 0.00 43.02 39.97 1puz s PHE 52 CO 0.75 -0.22 1.22 -0.65 -0.10 0.00 0.00 175.22 176.23 1puz s GLN 53 N -2.95 0.80 0.06 0.44 1.11 -1.26 -4.69 119.66 113.18 1puz s GLN 53 Ca 0.61 -0.10 -0.38 0.00 0.01 0.00 0.00 55.36 55.50 1puz s GLN 53 Cb -0.13 -1.84 -0.21 0.00 -1.01 0.00 0.00 33.01 29.83 1puz s GLN 53 CO 0.17 -2.36 1.57 -0.44 0.01 0.00 0.00 175.29 174.25 1puz h ASP 54 N -1.60 -1.17 -0.67 5.90 5.19 -1.83 1.46 116.42 123.69 1puz h ASP 54 Ca -0.46 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.09 1puz h ASP 54 Cb 1.28 0.31 -0.11 0.00 0.18 0.00 0.00 39.33 40.99 1puz h ASP 54 CO 0.49 -0.80 -0.44 -0.61 -3.12 0.00 0.00 179.24 174.75 1puz h GLN 55 N -1.32 -0.17 0.04 3.56 4.15 -1.84 0.87 115.11 120.41 1puz h GLN 55 Ca -0.13 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.30 1puz h GLN 55 Cb 1.02 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1puz h GLN 55 CO 0.20 -0.11 -0.02 0.93 -1.93 0.00 0.00 178.83 177.89 1puz h GLU 56 N -0.18 -0.06 -0.15 1.69 5.08 -1.91 -0.24 114.58 118.82 1puz h GLU 56 Ca 0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1puz h GLU 56 Cb 0.55 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1puz h GLU 56 CO -0.75 0.09 -0.49 1.25 -1.00 0.00 0.00 179.01 178.11 1puz h LEU 57 N -0.19 -1.57 -0.02 1.33 5.85 0.36 1.59 115.31 122.65 1puz h LEU 57 Ca -0.01 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1puz h LEU 57 Cb 0.17 0.62 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1puz h LEU 57 CO 0.01 -0.43 -0.46 0.25 -0.34 0.00 0.00 178.44 177.48 1puz h LEU 58 N -0.50 -1.40 -0.64 2.25 5.85 0.74 -0.51 115.31 121.10 1puz h LEU 58 Ca 0.03 0.17 0.13 0.00 0.84 0.00 0.00 57.88 59.05 1puz h LEU 58 Cb 0.60 0.55 -0.11 0.00 0.37 0.00 0.00 40.66 42.07 1puz h LEU 58 CO -0.41 -0.48 0.02 0.00 -0.34 0.00 0.00 178.44 177.24 1puz h ALA 59 N -0.13 0.66 -0.41 1.25 0.00 -0.28 -0.90 119.26 119.45 1puz h ALA 59 Ca 0.04 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1puz h ALA 59 Cb 0.67 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1puz h ALA 59 CO -0.35 -0.39 -0.48 -0.07 0.00 0.00 0.00 179.25 177.97 1puz h LEU 60 N 0.14 -1.63 -0.79 0.00 3.38 0.38 1.23 115.31 118.02 1puz h LEU 60 Ca 0.34 0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.70 1puz h LEU 60 Cb 0.55 0.67 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 1puz h LEU 60 CO -0.53 -0.33 0.28 0.40 0.09 0.00 0.00 178.44 178.35 1puz h ILE 61 N -0.30 0.54 -0.42 1.22 2.04 -0.23 0.83 117.51 121.19 1puz h ILE 61 Ca 0.07 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1puz h ILE 61 Cb 0.49 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1puz h ILE 61 CO -0.54 0.07 0.15 0.78 0.00 0.00 0.00 178.15 178.60 1puz h ASN 62 N 0.36 0.55 0.00 1.72 2.35 0.88 -3.46 115.58 117.98 1puz h ASN 62 Ca 0.46 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1puz h ASN 62 Cb 0.79 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1puz h ASN 62 CO -0.49 0.51 0.00 0.61 -1.65 0.00 0.00 177.43 176.42 1puz n GLY 63 N -1.12 1.54 0.00 2.83 0.00 0.39 -5.06 105.19 103.76 1puz n GLY 63 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1puz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1puz n HIS 64 N -0.53 0.00 -1.61 1.61 8.25 0.72 -4.88 115.22 118.78 1puz n HIS 64 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1puz n HIS 64 Cb 0.00 -0.15 0.17 0.00 1.12 0.00 0.00 29.99 31.13 1puz n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1puz s SER 65 N -1.82 2.90 0.35 0.41 0.15 -1.26 -4.92 113.70 109.50 1puz s SER 65 Ca 0.00 0.63 0.06 0.00 0.70 0.00 0.00 55.95 57.34 1puz s SER 65 Cb 0.00 -0.93 -0.07 0.00 -1.71 0.00 0.00 66.02 63.31 1puz s SER 65 CO 0.00 -2.90 -0.00 -1.61 1.20 0.00 0.00 173.24 169.93 1puz s GLU 66 N -5.55 1.77 -0.22 5.44 2.02 -1.26 -4.63 118.70 116.27 1puz s GLU 66 Ca 0.69 -1.97 -0.05 0.00 0.02 0.00 0.00 54.97 53.66 1puz s GLU 66 Cb -0.09 -1.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.80 1puz s GLU 66 CO 0.53 -0.05 -0.00 -0.08 0.02 0.00 0.00 175.26 175.68 1puz s THR 67 N -2.94 3.74 -0.30 3.63 -1.32 -1.26 -4.97 115.64 112.22 1puz s THR 67 Ca 0.34 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.45 1puz s THR 67 Cb 0.07 -2.72 0.27 0.00 -1.51 0.00 0.00 72.50 68.62 1puz s THR 67 CO 0.16 0.40 1.82 -0.67 -2.21 0.00 0.00 174.62 174.12 1puz n ASP 68 N 4.73 5.42 -3.64 8.08 -0.08 -1.26 -4.75 116.55 125.05 1puz n ASP 68 Ca -0.17 -3.01 -0.06 0.00 -1.51 0.00 0.00 54.79 50.04 1puz n ASP 68 Cb 0.51 -0.92 -0.07 0.00 2.34 0.00 0.00 41.12 42.99 1puz n ASP 68 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1puz s LYS 69 N -1.87 0.63 0.00 -0.67 2.47 -1.26 -5.01 119.74 114.03 1puz s LYS 69 Ca 0.32 1.12 0.28 0.00 -1.56 0.00 0.00 55.97 56.13 1puz s LYS 69 Cb 0.26 0.16 1.39 0.00 -1.46 0.00 0.00 37.83 38.18 1puz s LYS 69 CO 0.02 -0.14 1.97 0.41 0.16 0.00 0.00 175.35 177.77 1puz n GLY 70 N 4.25 -1.27 0.00 5.54 0.00 -1.26 -2.75 105.19 109.70 1puz n GLY 70 Ca -0.19 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 45.85 1puz n GLY 70 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1puz n HIS 71 N -1.33 0.00 -0.03 1.61 8.25 -1.26 -2.94 115.22 119.52 1puz n HIS 71 Ca 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1puz n HIS 71 Cb 0.25 -0.18 -0.07 0.00 1.12 0.00 0.00 29.99 31.10 1puz n HIS 71 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1puz n LEU 72 N -1.18 0.00 -0.30 2.41 4.77 -1.11 -4.27 117.00 117.31 1puz n LEU 72 Ca 0.17 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.23 1puz n LEU 72 Cb 0.19 0.12 0.19 0.00 -2.33 0.00 0.00 43.42 41.59 1puz n LEU 72 CO 0.21 0.12 0.77 0.40 -1.33 0.00 0.00 177.39 177.56 1puz h ILE 73 N 0.00 0.17 0.03 -0.08 2.04 -1.59 1.86 117.51 119.94 1puz h ILE 73 Ca -0.13 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1puz h ILE 73 Cb 1.06 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1puz h ILE 73 CO 0.01 0.01 -0.02 1.55 0.00 0.00 0.00 178.15 179.70 1puz h PRO 74 N 0.04 -0.04 -0.84 2.37 0.13 -1.81 -3.07 132.00 128.78 1puz h PRO 74 Ca 0.48 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.78 1puz h PRO 74 Cb 0.86 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 1puz h PRO 74 CO -0.83 0.63 0.56 0.52 -0.23 0.00 0.00 178.00 178.65 1puz h MET 75 N -0.79 0.44 -0.65 0.86 2.86 -1.36 0.20 114.93 116.49 1puz h MET 75 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1puz h MET 75 Cb 0.69 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1puz h MET 75 CO 0.01 0.29 0.18 -0.07 1.06 0.00 0.00 176.91 178.38 1puz h LEU 76 N 0.45 0.96 0.61 1.22 3.38 0.28 0.99 115.31 123.20 1puz h LEU 76 Ca 0.43 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1puz h LEU 76 Cb 0.98 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1puz h LEU 76 CO -0.16 0.93 -0.37 -0.33 0.09 0.00 0.00 178.44 178.60 1puz h GLU 77 N 0.94 -0.89 0.24 1.13 4.39 -0.53 1.44 114.58 121.30 1puz h GLU 77 Ca 0.21 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1puz h GLU 77 Cb 0.32 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1puz h GLU 77 CO -0.00 -0.59 -0.11 1.57 -1.16 0.00 0.00 179.01 178.71 1puz h LYS 78 N -0.92 -0.31 0.13 2.33 2.10 -1.31 -1.68 116.57 116.91 1puz h LYS 78 Ca -0.08 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1puz h LYS 78 Cb 0.74 0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.13 1puz h LYS 78 CO 0.09 -0.04 -0.19 0.82 -2.00 0.00 0.00 179.45 178.13 1puz h ILE 79 N -0.55 0.00 -1.19 0.07 2.04 0.11 -1.15 117.51 116.83 1puz h ILE 79 Ca -0.03 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.26 1puz h ILE 79 Cb 0.40 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.33 1puz h ILE 79 CO 0.05 0.00 0.72 -0.09 0.00 0.00 0.00 178.15 178.83 1puz h ARG 80 N -0.33 0.05 0.07 2.37 2.43 0.19 0.19 114.38 119.36 1puz h ARG 80 Ca -0.01 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1puz h ARG 80 Cb 0.30 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 1puz h ARG 80 CO -0.06 0.04 -0.39 -0.09 -1.51 0.00 0.00 179.97 177.95 1puz h ARG 81 N 0.05 -0.53 0.00 0.20 2.43 -0.22 -3.50 114.38 112.81 1puz h ARG 81 Ca 0.84 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 60.05 1puz h ARG 81 Cb 2.45 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 32.12 1puz h ARG 81 CO -0.58 -0.35 0.00 0.00 -1.51 0.00 0.00 179.97 177.53