#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 1.65 -4.00 0.03 2.00 -1.26 -4.92 117.12 110.63 1puz n MET 2 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 57.70 58.01 1puz n MET 2 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 33.22 29.94 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 9.09 0.18 0.18 2.03 1.01 -1.26 -5.02 120.40 126.60 1puz s VAL 3 Ca 1.02 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1puz s VAL 3 Cb -0.36 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1puz s VAL 3 CO 0.35 -0.81 0.35 0.72 0.00 0.00 0.00 175.10 175.70 1puz s PHE 4 N -3.52 0.30 0.33 5.22 -0.12 -1.26 -5.09 117.98 113.84 1puz s PHE 4 Ca 0.03 -0.66 0.08 0.00 -0.05 0.00 0.00 56.93 56.33 1puz s PHE 4 Cb 0.04 0.05 -0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1puz s PHE 4 CO -0.09 -0.79 0.28 -0.25 -0.05 0.00 0.00 175.22 174.33 1puz n ASP 5 N -0.26 -0.70 -0.34 1.98 9.92 -1.26 -4.96 116.55 120.93 1puz n ASP 5 Ca -0.07 -3.16 0.32 0.00 -0.53 0.00 0.00 54.79 51.35 1puz n ASP 5 Cb 0.63 1.66 0.66 0.00 -0.64 0.00 0.00 41.12 43.43 1puz n ASP 5 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1puz h ASP 6 N 2.02 0.17 -0.60 -2.24 3.32 -2.03 1.09 116.42 118.15 1puz h ASP 6 Ca -0.23 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1puz h ASP 6 Cb 1.18 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1puz h ASP 6 CO 0.34 0.02 0.29 0.40 -1.72 0.00 0.00 179.24 178.56 1puz h ILE 7 N 0.14 1.21 0.72 0.35 2.04 -1.96 1.22 117.51 121.23 1puz h ILE 7 Ca 0.60 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1puz h ILE 7 Cb 2.07 0.51 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1puz h ILE 7 CO -0.13 0.24 -0.35 0.00 0.00 0.00 0.00 178.15 177.91 1puz h ALA 8 N 1.12 -0.97 -0.49 1.87 0.00 0.83 -2.21 119.26 119.41 1puz h ALA 8 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1puz h ALA 8 Cb 0.12 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1puz h ALA 8 CO -0.03 -1.02 0.30 1.57 0.00 0.00 0.00 179.25 180.08 1puz h LYS 9 N -1.02 0.66 -0.24 0.00 2.10 -1.23 -0.02 116.57 116.82 1puz h LYS 9 Ca -0.10 -0.05 0.07 0.00 -2.00 0.00 0.00 60.65 58.57 1puz h LYS 9 Cb 0.75 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1puz h LYS 9 CO 0.16 0.46 0.22 0.00 -2.00 0.00 0.00 179.45 178.30 1puz h ARG 10 N 0.67 0.00 -0.02 0.07 3.08 0.19 0.23 114.38 118.60 1puz h ARG 10 Ca 0.18 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.01 1puz h ARG 10 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1puz h ARG 10 CO -0.03 0.00 -0.89 -0.22 -1.07 0.00 0.00 179.97 177.76 1puz h LYS 11 N 0.00 0.41 -0.85 0.04 3.64 -0.39 -2.49 116.57 116.94 1puz h LYS 11 Ca 0.11 -0.41 0.15 0.00 -1.27 0.00 0.00 60.65 59.24 1puz h LYS 11 Cb 0.56 0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 32.34 1puz h LYS 11 CO -0.00 1.07 -0.30 0.97 -2.27 0.00 0.00 179.45 178.93 1puz h ILE 12 N 0.24 0.10 -0.01 2.00 6.09 -0.45 2.27 117.51 127.75 1puz h ILE 12 Ca -0.07 0.00 -0.24 0.00 -1.37 0.00 0.00 64.86 63.18 1puz h ILE 12 Cb 1.51 0.10 0.01 0.00 0.47 0.00 0.00 36.82 38.91 1puz h ILE 12 CO 0.15 0.00 -0.97 -0.09 -3.07 0.00 0.00 178.15 174.17 1puz h ARG 13 N -0.04 0.58 0.00 2.19 2.43 -1.59 -2.74 114.38 115.22 1puz h ARG 13 Ca 0.36 -0.61 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1puz h ARG 13 Cb 0.61 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1puz h ARG 13 CO -0.88 1.22 -0.02 0.35 -1.51 0.00 0.00 179.97 179.14 1puz h PHE 14 N 0.34 0.00 0.15 2.20 3.04 0.09 -2.19 116.94 120.56 1puz h PHE 14 Ca -0.10 0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.52 1puz h PHE 14 Cb 1.61 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 40.12 1puz h PHE 14 CO 0.08 0.02 -1.67 1.96 -2.02 0.00 0.00 178.31 176.68 1puz h GLN 15 N 0.00 0.31 0.00 1.11 1.08 0.37 -3.47 115.11 114.51 1puz h GLN 15 Ca -0.00 -0.53 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 1puz h GLN 15 Cb 0.23 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1puz h GLN 15 CO 0.00 1.19 0.00 0.25 -0.95 0.00 0.00 178.83 179.32 1puz n THR 16 N -3.50 0.00 -1.73 -0.54 -2.24 -0.82 -4.89 114.28 100.56 1puz n THR 16 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1puz n THR 16 Cb 1.06 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1puz n THR 16 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1puz n ARG 17 N -1.50 -4.56 0.00 -0.78 1.74 -1.26 -5.01 116.66 105.28 1puz n ARG 17 Ca 0.00 3.30 0.00 0.00 -0.77 0.00 0.00 57.85 60.38 1puz n ARG 17 Cb 0.00 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 27.93 1puz n ARG 17 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1puz n ARG 18 N 1.23 0.00 -1.71 5.56 0.63 -1.26 -5.00 116.66 116.11 1puz n ARG 18 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 1puz n ARG 18 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 0.00 4.80 2.84 5.14 0.00 -1.26 -4.79 105.19 111.92 1puz n GLY 19 Ca 0.00 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.66 -0.25 0.00 0.99 1.43 -1.26 -4.84 118.68 112.09 1puz s LEU 20 Ca 0.56 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1puz s LEU 20 Cb 0.35 0.59 0.00 0.00 0.03 0.00 0.00 46.19 47.17 1puz s LEU 20 CO -0.24 -0.30 0.60 -0.11 0.23 0.00 0.00 176.35 176.53 1puz n LEU 21 N 5.33 0.28 -0.33 1.79 7.94 -1.26 -0.33 117.00 130.42 1puz n LEU 21 Ca -0.05 0.69 0.06 0.00 -1.11 0.00 0.00 56.01 55.60 1puz n LEU 21 Cb 0.50 -0.32 0.14 0.00 0.53 0.00 0.00 43.42 44.27 1puz n LEU 21 CO 0.06 -0.32 0.62 1.21 -1.11 0.00 0.00 177.39 177.85 1puz n GLU 22 N -1.46 -0.08 0.06 1.96 4.07 -1.26 0.13 120.64 124.05 1puz n GLU 22 Ca 0.00 1.44 -0.11 0.00 -0.06 0.00 0.00 57.16 58.43 1puz n GLU 22 Cb 0.00 -2.16 -0.05 0.00 -0.06 0.00 0.00 31.44 29.16 1puz n GLU 22 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1puz h LEU 23 N 0.00 -0.33 -1.37 4.31 5.85 -1.98 0.25 115.31 122.04 1puz h LEU 23 Ca 0.45 0.05 0.22 0.00 0.84 0.00 0.00 57.88 59.44 1puz h LEU 23 Cb 0.71 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.80 1puz h LEU 23 CO -0.95 -0.17 0.62 -0.78 -0.34 0.00 0.00 178.44 176.83 1puz h ASP 24 N -0.21 0.50 -0.03 1.25 3.58 0.41 0.12 116.42 122.04 1puz h ASP 24 Ca 0.04 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1puz h ASP 24 Cb 0.25 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 1puz h ASP 24 CO -0.10 0.17 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.33 1puz h LEU 25 N 0.48 0.09 -0.25 2.28 3.38 0.81 -2.99 115.31 119.11 1puz h LEU 25 Ca 0.52 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1puz h LEU 25 Cb 1.20 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1puz h LEU 25 CO -0.25 0.58 -0.47 0.40 0.09 0.00 0.00 178.44 178.79 1puz h ILE 26 N -0.40 0.00 -0.99 1.22 2.04 0.20 0.19 117.51 119.77 1puz h ILE 26 Ca 0.00 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.19 1puz h ILE 26 Cb 0.56 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.48 1puz h ILE 26 CO 0.01 0.00 0.52 -0.26 0.00 0.00 0.00 178.15 178.42 1puz h PHE 27 N -0.40 0.84 -0.72 1.37 0.04 -1.23 0.73 116.94 117.57 1puz h PHE 27 Ca 0.05 0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.93 1puz h PHE 27 Cb 0.53 -0.21 -0.10 0.00 2.20 0.00 0.00 35.95 38.37 1puz h PHE 27 CO -0.65 -0.22 -0.55 0.78 -0.60 0.00 0.00 178.31 177.07 1puz h GLY 28 N 0.27 -0.84 0.18 -1.45 0.00 -0.45 0.27 103.07 101.05 1puz h GLY 28 Ca 0.73 0.73 -0.15 0.00 0.00 0.00 0.00 47.33 48.64 1puz h GLY 28 CO -0.64 -0.05 -0.78 3.21 0.00 0.00 0.00 176.54 178.28 1puz h ARG 29 N -0.19 0.08 -1.31 4.80 2.47 -1.01 -3.28 114.38 115.95 1puz h ARG 29 Ca 0.13 -0.14 0.38 0.00 -1.26 0.00 0.00 59.98 59.09 1puz h ARG 29 Cb 0.51 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 1puz h ARG 29 CO -0.78 1.07 1.15 0.35 0.56 0.00 0.00 179.97 182.32 1puz h PHE 30 N -0.79 0.00 0.23 3.04 3.04 0.57 1.49 116.94 124.52 1puz h PHE 30 Ca -0.19 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.42 1puz h PHE 30 Cb 1.32 0.00 0.03 0.00 2.56 0.00 0.00 35.95 39.86 1puz h PHE 30 CO 0.18 0.00 -1.54 0.52 -2.02 0.00 0.00 178.31 175.45 1puz h MET 31 N 0.00 0.49 0.00 1.11 2.86 -0.56 -2.09 114.93 116.75 1puz h MET 31 Ca 0.62 -0.84 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1puz h MET 31 Cb 2.92 0.31 -0.00 0.00 0.06 0.00 0.00 31.60 34.89 1puz h MET 31 CO -0.01 1.40 -0.03 1.49 1.06 0.00 0.00 176.91 180.83 1puz h GLU 32 N 0.11 0.00 0.00 1.72 4.81 0.20 2.29 114.58 123.71 1puz h GLU 32 Ca -0.28 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.77 1puz h GLU 32 Cb 2.13 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.48 1puz h GLU 32 CO 0.24 0.03 -1.76 1.17 -0.73 0.00 0.00 179.01 177.96 1puz n LYS 33 N -3.27 0.65 0.00 1.92 3.00 -0.42 -4.24 118.16 115.80 1puz n LYS 33 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1puz n LYS 33 Cb 0.17 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.52 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1puz n GLU 34 N -2.73 0.00 -0.05 1.64 4.71 -0.40 -4.71 120.64 119.11 1puz n GLU 34 Ca -0.14 0.00 0.21 0.00 -0.01 0.00 0.00 57.16 57.22 1puz n GLU 34 Cb 0.86 -0.02 0.39 0.00 -1.01 0.00 0.00 31.44 31.66 1puz n GLU 34 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1puz h PHE 35 N 0.00 0.00 -0.88 -0.32 3.57 0.16 1.16 116.94 120.63 1puz h PHE 35 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1puz h PHE 35 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1puz h PHE 35 CO 0.00 0.00 0.55 1.49 -2.23 0.00 0.00 178.31 178.12 1puz h GLU 36 N 0.00 0.97 -0.39 1.11 4.81 0.30 -3.34 114.58 118.04 1puz h GLU 36 Ca 0.34 -0.06 -0.28 0.00 -0.13 0.00 0.00 59.36 59.23 1puz h GLU 36 Cb 2.48 -0.22 -0.21 0.00 0.63 0.00 0.00 28.75 31.43 1puz h GLU 36 CO -0.00 0.64 -0.60 1.58 -0.73 0.00 0.00 179.01 179.90 1puz n HIS 37 N -4.60 -1.89 0.00 0.92 -0.00 0.38 -5.08 115.22 104.95 1puz n HIS 37 Ca 0.13 -2.38 0.00 0.00 -0.00 0.00 0.00 57.72 55.47 1puz n HIS 37 Cb 0.17 1.12 0.00 0.00 -0.00 0.00 0.00 29.99 31.28 1puz n HIS 37 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1puz n LEU 38 N -0.00 0.00 -3.52 0.27 4.77 0.19 -4.98 117.00 113.73 1puz n LEU 38 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.87 1puz n LEU 38 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1puz n LEU 38 CO 0.05 -0.74 0.45 -0.94 -1.33 0.00 0.00 177.39 174.88 1puz s SER 39 N -2.07 -0.64 0.10 -1.43 1.04 -1.26 -4.97 113.70 104.46 1puz s SER 39 Ca 0.00 0.65 -0.21 0.00 0.48 0.00 0.00 55.95 56.88 1puz s SER 39 Cb 0.00 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 1puz s SER 39 CO 0.00 -0.62 1.36 -0.78 0.98 0.00 0.00 173.24 174.17 1puz h ASP 40 N 2.91 -1.37 -0.19 7.02 -0.00 -1.97 3.44 116.42 126.25 1puz h ASP 40 Ca -0.27 0.20 0.06 0.00 -0.00 0.00 0.00 57.03 57.01 1puz h ASP 40 Cb 1.15 0.59 -0.01 0.00 -0.00 0.00 0.00 39.33 41.07 1puz h ASP 40 CO 0.39 -0.19 0.15 0.50 -0.00 0.00 0.00 179.24 180.09 1puz h LYS 41 N -0.09 0.00 0.00 0.28 3.64 -1.97 0.62 116.57 119.06 1puz h LYS 41 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1puz h LYS 41 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1puz h LYS 41 CO -0.55 0.00 -0.14 0.39 -2.27 0.00 0.00 179.45 176.88 1puz n GLU 42 N -4.27 0.28 0.05 1.90 1.02 0.54 -3.72 120.64 116.44 1puz n GLU 42 Ca 0.02 0.19 -0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1puz n GLU 42 Cb 0.29 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 1puz n GLU 42 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1puz h LEU 43 N 0.00 -0.20 -0.83 -4.62 3.38 1.14 -2.77 115.31 111.40 1puz h LEU 43 Ca 0.00 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1puz h LEU 43 Cb 0.75 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.44 1puz h LEU 43 CO 0.00 0.31 -0.57 -1.28 0.09 0.00 0.00 178.44 176.99 1puz h SER 44 N -1.04 -2.04 -0.58 -0.43 0.87 -1.56 1.73 113.55 110.51 1puz h SER 44 Ca -0.02 0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.95 1puz h SER 44 Cb 0.29 0.89 -0.10 0.00 -0.44 0.00 0.00 62.40 63.05 1puz h SER 44 CO 0.04 -0.27 -0.01 1.05 -0.53 0.00 0.00 176.83 177.11 1puz h GLU 45 N -0.09 0.11 -0.26 2.24 -0.00 -1.70 1.19 114.58 116.07 1puz h GLU 45 Ca 0.14 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.48 1puz h GLU 45 Cb 0.44 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.16 1puz h GLU 45 CO -0.83 0.07 0.12 0.74 -0.00 0.00 0.00 179.01 179.10 1puz h PHE 46 N 0.11 0.39 0.00 2.06 -1.00 -0.01 0.58 116.94 119.06 1puz h PHE 46 Ca 0.30 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 61.03 1puz h PHE 46 Cb 0.47 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.91 1puz h PHE 46 CO -0.36 0.38 -0.10 1.03 -1.61 0.00 0.00 178.31 177.65 1puz h SER 47 N 0.28 0.00 0.13 2.17 0.87 0.37 1.11 113.55 118.50 1puz h SER 47 Ca 0.09 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.41 1puz h SER 47 Cb 0.14 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1puz h SER 47 CO -0.01 0.10 -1.16 -0.08 -0.53 0.00 0.00 176.83 175.15 1puz h GLU 48 N 0.00 0.28 -0.04 2.24 4.57 0.22 -2.57 114.58 119.28 1puz h GLU 48 Ca -0.00 -0.48 -0.24 0.00 -1.18 0.00 0.00 59.36 57.46 1puz h GLU 48 Cb 0.42 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 1puz h GLU 48 CO 0.01 1.23 -0.94 0.82 -1.18 0.00 0.00 179.01 178.96 1puz h ILE 49 N -0.31 1.31 -0.55 2.32 2.04 0.41 -3.15 117.51 119.58 1puz h ILE 49 Ca -0.23 -2.23 -0.06 0.00 1.00 0.00 0.00 64.86 63.35 1puz h ILE 49 Cb 1.73 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 40.06 1puz h ILE 49 CO 0.11 0.68 0.11 -0.07 0.00 0.00 0.00 178.15 178.99 1puz h LEU 50 N 0.38 0.80 -1.60 1.44 3.38 0.11 -2.45 115.31 117.37 1puz h LEU 50 Ca -0.09 -0.15 0.51 0.00 0.09 0.00 0.00 57.88 58.24 1puz h LEU 50 Cb 1.58 -0.21 -0.12 0.00 0.09 0.00 0.00 40.66 42.00 1puz h LEU 50 CO 0.18 0.79 1.08 -0.62 0.09 0.00 0.00 178.44 179.96 1puz n GLU 51 N -4.26 -0.02 -1.71 1.13 -0.58 -0.97 -4.36 120.64 109.87 1puz n GLU 51 Ca 0.04 1.19 -0.32 0.00 -0.42 0.00 0.00 57.16 57.64 1puz n GLU 51 Cb 0.24 -2.48 0.05 0.00 -0.57 0.00 0.00 31.44 28.68 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 -5.10 2.79 0.68 -0.32 0.08 -0.92 -5.03 117.98 110.16 1puz s PHE 52 Ca -0.06 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.40 1puz s PHE 52 Cb 0.29 -3.05 -0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1puz s PHE 52 CO 0.84 -1.48 1.05 -0.65 -0.10 0.00 0.00 175.22 174.89 1puz s GLN 53 N -4.40 3.09 0.06 0.44 -0.21 -1.26 -4.82 119.66 112.56 1puz s GLN 53 Ca 0.63 0.91 -0.25 0.00 0.02 0.00 0.00 55.36 56.67 1puz s GLN 53 Cb -0.18 -2.01 -0.12 0.00 1.00 0.00 0.00 33.01 31.71 1puz s GLN 53 CO 0.45 -0.98 1.40 -0.44 -2.12 0.00 0.00 175.29 173.60 1puz h ASP 54 N -0.63 -1.04 -0.50 5.90 3.45 -1.94 0.46 116.42 122.13 1puz h ASP 54 Ca -0.44 0.09 0.08 0.00 0.43 0.00 0.00 57.03 57.19 1puz h ASP 54 Cb 1.21 0.36 -0.10 0.00 -0.56 0.00 0.00 39.33 40.23 1puz h ASP 54 CO 0.58 -0.46 -0.45 -0.61 -1.57 0.00 0.00 179.24 176.73 1puz h GLN 55 N -0.68 -0.27 -0.50 3.56 4.15 -1.94 0.36 115.11 119.80 1puz h GLN 55 Ca -0.03 0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1puz h GLN 55 Cb 0.61 0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.27 1puz h GLN 55 CO -0.09 -0.18 -0.05 0.93 -1.93 0.00 0.00 178.83 177.51 1puz h GLU 56 N -0.28 0.07 0.18 1.69 5.08 -1.88 0.38 114.58 119.81 1puz h GLU 56 Ca 0.15 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1puz h GLU 56 Cb 0.57 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1puz h GLU 56 CO -0.64 0.04 -0.34 1.25 -1.00 0.00 0.00 179.01 178.33 1puz h LEU 57 N 0.07 -0.96 0.16 1.33 5.85 0.22 1.20 115.31 123.18 1puz h LEU 57 Ca 0.25 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1puz h LEU 57 Cb 0.38 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1puz h LEU 57 CO -0.46 -0.44 -0.33 0.25 -0.34 0.00 0.00 178.44 177.13 1puz h LEU 58 N -0.60 -0.97 -0.85 2.25 5.85 0.60 0.55 115.31 122.14 1puz h LEU 58 Ca 0.02 0.09 0.20 0.00 0.84 0.00 0.00 57.88 59.03 1puz h LEU 58 Cb 0.60 0.35 -0.12 0.00 0.37 0.00 0.00 40.66 41.86 1puz h LEU 58 CO -0.16 -0.38 0.34 0.00 -0.34 0.00 0.00 178.44 177.90 1puz h ALA 59 N -1.02 1.30 0.07 1.25 0.00 -0.11 -0.25 119.26 120.50 1puz h ALA 59 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1puz h ALA 59 Cb 0.50 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1puz h ALA 59 CO -0.14 -0.31 -0.49 -0.07 0.00 0.00 0.00 179.25 178.24 1puz h LEU 60 N 0.39 -1.49 -0.64 0.00 3.38 0.26 1.68 115.31 118.89 1puz h LEU 60 Ca 0.51 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.78 1puz h LEU 60 Cb 0.93 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 42.13 1puz h LEU 60 CO -0.51 -0.50 0.04 0.40 0.09 0.00 0.00 178.44 177.96 1puz h ILE 61 N -0.67 0.51 0.00 1.22 2.04 0.68 1.21 117.51 122.49 1puz h ILE 61 Ca -0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1puz h ILE 61 Cb 0.69 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1puz h ILE 61 CO -0.29 0.03 -0.02 0.78 0.00 0.00 0.00 178.15 178.65 1puz h ASN 62 N 0.15 0.00 0.00 1.72 2.35 0.19 -3.45 115.58 116.55 1puz h ASN 62 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1puz h ASN 62 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1puz h ASN 62 CO -0.51 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 175.89 1puz n GLY 63 N -1.32 1.30 0.00 2.83 0.00 0.42 -5.06 105.19 103.36 1puz n GLY 63 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.37 0.00 -0.54 1.61 8.25 0.51 -4.93 115.22 118.74 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 0.00 0.23 0.00 1.12 0.00 0.00 29.99 31.34 1puz n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1puz n SER 65 N -0.22 -1.29 -4.69 0.41 7.64 -1.25 -4.86 113.62 109.35 1puz n SER 65 Ca 0.00 -0.01 -0.27 0.00 1.01 0.00 0.00 58.87 59.60 1puz n SER 65 Cb 0.00 -1.29 -0.09 0.00 -1.01 0.00 0.00 64.21 61.82 1puz n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1puz s GLU 66 N -4.38 2.10 -0.08 1.43 0.41 -1.26 -4.50 118.70 112.42 1puz s GLU 66 Ca 0.67 -2.04 -0.00 0.00 -0.41 0.00 0.00 54.97 53.19 1puz s GLU 66 Cb -0.24 -1.78 0.02 0.00 -1.78 0.00 0.00 34.13 30.36 1puz s GLU 66 CO 0.64 -0.14 -0.04 -0.08 -0.49 0.00 0.00 175.26 175.15 1puz s THR 67 N -2.69 0.67 -0.27 3.63 -1.32 -1.26 -5.00 115.64 109.39 1puz s THR 67 Ca 0.34 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 1puz s THR 67 Cb 0.06 -0.73 0.29 0.00 -1.51 0.00 0.00 72.50 70.61 1puz s THR 67 CO 0.18 0.29 1.70 -0.67 -2.21 0.00 0.00 174.62 173.92 1puz n ASP 68 N 4.74 4.73 -3.59 8.08 -0.08 -1.26 -4.72 116.55 124.45 1puz n ASP 68 Ca -0.14 -2.94 -0.13 0.00 -1.51 0.00 0.00 54.79 50.07 1puz n ASP 68 Cb 0.50 -0.84 -0.12 0.00 2.34 0.00 0.00 41.12 43.01 1puz n ASP 68 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1puz s LYS 69 N -1.78 0.19 0.00 -0.67 1.02 -1.26 -5.00 119.74 112.24 1puz s LYS 69 Ca 0.31 0.64 0.29 0.00 0.02 0.00 0.00 55.97 57.24 1puz s LYS 69 Cb 0.25 -0.28 1.37 0.00 -0.52 0.00 0.00 37.83 38.65 1puz s LYS 69 CO 0.03 -0.40 1.95 0.41 -0.92 0.00 0.00 175.35 176.42 1puz n GLY 70 N 5.35 -1.04 0.02 -3.33 0.00 -1.26 -3.14 105.19 101.80 1puz n GLY 70 Ca -0.06 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1puz n GLY 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1puz n HIS 71 N -1.04 0.17 -0.02 1.61 -0.00 -1.26 -2.56 115.22 112.12 1puz n HIS 71 Ca 0.15 0.05 0.03 0.00 -0.00 0.00 0.00 57.72 57.95 1puz n HIS 71 Cb 0.25 -0.59 -0.13 0.00 -0.00 0.00 0.00 29.99 29.52 1puz n HIS 71 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1puz n LEU 72 N -1.64 0.25 -0.34 0.27 4.77 -1.19 -4.05 117.00 115.08 1puz n LEU 72 Ca 0.06 0.11 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1puz n LEU 72 Cb 0.30 0.15 0.14 0.00 -2.33 0.00 0.00 43.42 41.69 1puz n LEU 72 CO 0.24 0.16 0.68 0.40 -1.33 0.00 0.00 177.39 177.54 1puz h ILE 73 N 0.00 0.06 -0.04 -0.08 2.04 -1.64 2.71 117.51 120.57 1puz h ILE 73 Ca -0.19 -0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.45 1puz h ILE 73 Cb 1.48 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1puz h ILE 73 CO 0.02 0.00 -0.88 1.55 0.00 0.00 0.00 178.15 178.84 1puz h PRO 74 N 0.00 0.48 0.00 2.37 0.13 -1.75 -3.06 132.00 130.16 1puz h PRO 74 Ca 0.46 -0.46 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1puz h PRO 74 Cb 0.73 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1puz h PRO 74 CO -0.96 1.11 -0.11 0.52 -0.23 0.00 0.00 178.00 178.32 1puz h MET 75 N 0.29 0.00 -0.04 0.86 2.86 0.08 -2.49 114.93 116.50 1puz h MET 75 Ca -0.07 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 1puz h MET 75 Cb 1.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.16 1puz h MET 75 CO 0.16 0.11 -0.86 -0.07 1.06 0.00 0.00 176.91 177.31 1puz h LEU 76 N 0.00 0.56 0.59 1.22 3.38 0.45 -1.98 115.31 119.52 1puz h LEU 76 Ca -0.00 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1puz h LEU 76 Cb 0.56 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1puz h LEU 76 CO 0.01 1.19 -0.28 -0.33 0.09 0.00 0.00 178.44 179.12 1puz h GLU 77 N 0.27 -0.76 0.15 1.13 4.39 -1.37 0.70 114.58 119.09 1puz h GLU 77 Ca -0.06 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1puz h GLU 77 Cb 1.48 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 30.26 1puz h GLU 77 CO 0.15 -0.45 -0.38 1.57 -1.16 0.00 0.00 179.01 178.74 1puz h LYS 78 N -1.07 -0.61 -0.57 2.33 5.09 -1.58 0.19 116.57 120.34 1puz h LYS 78 Ca -0.08 0.04 0.07 0.00 0.09 0.00 0.00 60.65 60.77 1puz h LYS 78 Cb 0.66 0.14 -0.06 0.00 0.10 0.00 0.00 32.23 33.07 1puz h LYS 78 CO 0.13 -0.41 0.25 0.82 -2.09 0.00 0.00 179.45 178.16 1puz h ILE 79 N -0.64 0.87 -0.73 0.07 2.04 -1.40 -0.97 117.51 116.74 1puz h ILE 79 Ca 0.02 -0.16 0.12 0.00 1.00 0.00 0.00 64.86 65.84 1puz h ILE 79 Cb 0.65 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 1puz h ILE 79 CO -0.20 0.09 0.31 0.03 0.00 0.00 0.00 178.15 178.38 1puz h ARG 80 N 0.47 0.48 -0.32 2.37 3.08 0.14 -2.13 114.38 118.47 1puz h ARG 80 Ca 0.27 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1puz h ARG 80 Cb 0.26 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 1puz h ARG 80 CO -0.23 0.32 -0.54 -0.09 -1.07 0.00 0.00 179.97 178.36 1puz h ARG 81 N 0.49 -0.43 0.00 0.04 2.43 0.76 -3.50 114.38 114.16 1puz h ARG 81 Ca 0.39 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1puz h ARG 81 Cb 0.53 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1puz h ARG 81 CO -0.35 -0.29 0.00 0.00 -1.51 0.00 0.00 179.97 177.82