#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 -2.75 -3.61 2.12 2.00 -1.26 -4.90 117.12 108.72 1puz n MET 2 Ca 0.00 2.12 -0.21 0.00 0.00 0.00 0.00 57.70 59.61 1puz n MET 2 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 33.22 29.87 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 -3.63 4.82 0.33 2.03 1.01 -1.26 -5.08 120.40 118.62 1puz s VAL 3 Ca 0.00 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1puz s VAL 3 Cb 0.00 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1puz s VAL 3 CO 0.00 -0.35 -0.04 0.72 0.00 0.00 0.00 175.10 175.44 1puz s PHE 4 N -2.17 2.20 0.26 5.22 -0.12 -1.26 -5.08 117.98 117.04 1puz s PHE 4 Ca 0.39 -0.67 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 1puz s PHE 4 Cb -0.09 -1.36 -0.03 0.00 -0.63 0.00 0.00 43.02 40.91 1puz s PHE 4 CO 0.32 0.37 0.25 -0.51 -0.05 0.00 0.00 175.22 175.59 1puz s ASP 5 N -3.55 0.68 0.38 1.98 1.01 -1.26 -4.96 116.67 110.94 1puz s ASP 5 Ca 0.33 -1.47 0.22 0.00 0.71 0.00 0.00 52.55 52.33 1puz s ASP 5 Cb 0.05 0.48 1.33 0.00 1.01 0.00 0.00 42.92 45.80 1puz s ASP 5 CO 0.15 -0.99 1.59 0.44 0.21 0.00 0.00 175.17 176.57 1puz h ASP 6 N 2.38 0.33 0.15 0.27 5.19 -2.01 1.25 116.42 123.98 1puz h ASP 6 Ca -0.31 0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1puz h ASP 6 Cb 1.24 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.97 1puz h ASP 6 CO 0.45 -0.38 -0.17 0.40 -3.12 0.00 0.00 179.24 176.42 1puz h ILE 7 N 0.04 0.62 -0.96 0.35 2.04 -2.01 -1.39 117.51 116.21 1puz h ILE 7 Ca 0.84 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.94 1puz h ILE 7 Cb 2.25 0.62 -0.13 0.00 -0.74 0.00 0.00 36.82 38.82 1puz h ILE 7 CO -0.71 0.00 0.51 0.00 0.00 0.00 0.00 178.15 177.95 1puz h ALA 8 N 0.45 1.65 0.02 1.87 0.00 0.12 0.17 119.26 123.53 1puz h ALA 8 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1puz h ALA 8 Cb 0.35 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1puz h ALA 8 CO -0.06 -0.32 -0.29 -0.22 0.00 0.00 0.00 179.25 178.36 1puz h LYS 9 N 0.49 -0.43 -1.02 0.00 1.63 -0.61 -0.29 116.57 116.34 1puz h LYS 9 Ca 0.61 0.03 0.33 0.00 -0.85 0.00 0.00 60.65 60.77 1puz h LYS 9 Cb 1.18 0.10 -0.15 0.00 -0.60 0.00 0.00 32.23 32.76 1puz h LYS 9 CO -0.50 -0.29 0.59 -0.09 -3.45 0.00 0.00 179.45 175.71 1puz h ARG 10 N -0.45 0.31 -0.62 1.90 9.65 -0.26 0.94 114.38 125.85 1puz h ARG 10 Ca 0.06 -0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.01 1puz h ARG 10 Cb 0.52 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 28.97 1puz h ARG 10 CO -0.24 0.20 0.25 -0.22 2.80 0.00 0.00 179.97 182.76 1puz h LYS 11 N 0.31 0.43 -0.68 0.20 3.64 -0.74 1.16 116.57 120.90 1puz h LYS 11 Ca 0.73 -0.03 0.13 0.00 -1.27 0.00 0.00 60.65 60.22 1puz h LYS 11 Cb 1.72 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 33.32 1puz h LYS 11 CO -0.58 0.29 -0.26 0.97 -2.27 0.00 0.00 179.45 177.60 1puz h ILE 12 N 0.44 0.22 -0.02 2.00 -0.00 0.11 1.17 117.51 121.43 1puz h ILE 12 Ca 0.31 0.00 -0.18 0.00 -0.00 0.00 0.00 64.86 64.99 1puz h ILE 12 Cb 0.36 0.22 0.01 0.00 -0.00 0.00 0.00 36.82 37.41 1puz h ILE 12 CO -0.29 0.00 -0.67 0.03 -0.00 0.00 0.00 178.15 177.22 1puz h ARG 13 N -0.07 0.49 -0.16 2.19 3.08 -1.17 -2.52 114.38 116.21 1puz h ARG 13 Ca 0.30 -0.50 0.05 0.00 0.07 0.00 0.00 59.98 59.90 1puz h ARG 13 Cb 0.54 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1puz h ARG 13 CO -0.73 1.14 0.23 0.35 -1.07 0.00 0.00 179.97 179.89 1puz h PHE 14 N 0.03 0.00 0.08 3.04 3.04 0.30 -1.40 116.94 122.02 1puz h PHE 14 Ca -0.08 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.66 1puz h PHE 14 Cb 1.36 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1puz h PHE 14 CO 0.13 0.00 -1.08 1.96 -2.02 0.00 0.00 178.31 177.31 1puz h GLN 15 N 0.00 0.16 0.00 1.11 1.08 0.14 -3.47 115.11 114.13 1puz h GLN 15 Ca 0.08 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1puz h GLN 15 Cb 0.53 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1puz h GLN 15 CO -0.00 1.13 0.00 0.25 -0.95 0.00 0.00 178.83 179.26 1puz n THR 16 N -4.16 0.00 -1.02 -0.54 -2.24 -0.53 -4.84 114.28 100.95 1puz n THR 16 Ca -0.23 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1puz n THR 16 Cb 0.78 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.75 -1.89 -1.70 -0.78 1.74 -1.26 -4.99 116.66 106.04 1puz n ARG 17 Ca 0.00 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.43 1puz n ARG 17 Cb 0.00 -2.39 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 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 -3.20 -4.84 0.00 5.56 0.63 -1.26 -4.63 116.66 108.91 1puz n ARG 18 Ca -0.01 3.57 0.00 0.00 -0.92 0.00 0.00 57.85 60.49 1puz n ARG 18 Cb 0.61 -4.00 0.00 0.00 0.45 0.00 0.00 32.46 29.52 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 -0.48 2.87 2.86 5.14 0.00 -1.26 -3.65 105.19 110.67 1puz n GLY 19 Ca 0.00 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 0.95 0.00 0.99 1.02 -1.26 -4.30 118.68 116.08 1puz s LEU 20 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.32 1puz s LEU 20 Cb 0.00 0.16 0.00 0.00 0.02 0.00 0.00 46.19 46.37 1puz s LEU 20 CO 0.00 -0.13 0.98 -0.11 0.02 0.00 0.00 176.35 177.11 1puz n LEU 21 N 4.11 0.00 -0.31 1.79 7.94 -1.26 -1.55 117.00 127.71 1puz n LEU 21 Ca -0.26 0.98 0.23 0.00 -1.11 0.00 0.00 56.01 55.85 1puz n LEU 21 Cb 0.52 -0.48 0.43 0.00 0.53 0.00 0.00 43.42 44.42 1puz n LEU 21 CO 0.20 -0.48 0.89 1.21 -1.11 0.00 0.00 177.39 178.10 1puz n GLU 22 N -2.07 -0.07 0.16 1.96 4.07 -1.26 0.99 120.64 124.42 1puz n GLU 22 Ca 0.00 1.36 -0.15 0.00 -0.06 0.00 0.00 57.16 58.31 1puz n GLU 22 Cb 0.00 -2.31 -0.07 0.00 -0.06 0.00 0.00 31.44 29.00 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 -1.11 -1.10 4.31 7.12 -1.86 0.99 115.31 123.66 1puz h LEU 23 Ca 0.70 0.11 0.31 0.00 0.13 0.00 0.00 57.88 59.14 1puz h LEU 23 Cb 1.71 0.40 -0.13 0.00 -0.53 0.00 0.00 40.66 42.11 1puz h LEU 23 CO -0.80 -0.49 0.62 -0.78 -0.13 0.00 0.00 178.44 176.86 1puz h ASP 24 N -0.68 0.51 0.03 1.25 -0.00 0.17 0.31 116.42 118.00 1puz h ASP 24 Ca 0.01 0.16 -0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1puz h ASP 24 Cb 0.67 0.09 0.00 0.00 -0.00 0.00 0.00 39.33 40.09 1puz h ASP 24 CO -0.17 -0.05 -0.01 -0.07 -0.00 0.00 0.00 179.24 178.93 1puz h LEU 25 N 0.37 -0.03 -0.93 2.28 3.38 -0.38 -3.15 115.31 116.84 1puz h LEU 25 Ca 0.70 -0.60 0.13 0.00 0.09 0.00 0.00 57.88 58.20 1puz h LEU 25 Cb 1.65 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 1puz h LEU 25 CO -0.51 0.60 -0.45 0.40 0.09 0.00 0.00 178.44 178.57 1puz h ILE 26 N -0.69 0.02 -0.81 1.22 2.04 0.46 0.91 117.51 120.67 1puz h ILE 26 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1puz h ILE 26 Cb 0.63 0.02 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 1puz h ILE 26 CO 0.01 0.00 0.30 -0.26 0.00 0.00 0.00 178.15 178.19 1puz h PHE 27 N -0.03 0.49 -0.95 1.37 0.04 -1.18 0.42 116.94 117.09 1puz h PHE 27 Ca 0.27 0.04 0.29 0.00 2.80 0.00 0.00 57.97 61.37 1puz h PHE 27 Cb 0.54 -0.09 -0.16 0.00 2.20 0.00 0.00 35.95 38.43 1puz h PHE 27 CO -0.89 -0.02 0.26 0.78 -0.60 0.00 0.00 178.31 177.84 1puz h GLY 28 N 0.38 1.58 0.23 -1.45 0.00 0.91 1.72 103.07 106.44 1puz h GLY 28 Ca 0.47 -0.02 -0.26 0.00 0.00 0.00 0.00 47.33 47.52 1puz h GLY 28 CO -0.49 -0.51 -1.43 3.21 0.00 0.00 0.00 176.54 177.32 1puz h ARG 29 N 0.11 0.10 -0.61 4.80 3.08 -0.78 -3.05 114.38 118.04 1puz h ARG 29 Ca 0.64 -0.17 0.17 0.00 0.07 0.00 0.00 59.98 60.69 1puz h ARG 29 Cb 1.43 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.52 1puz h ARG 29 CO -0.76 1.08 0.44 0.35 -1.07 0.00 0.00 179.97 180.01 1puz h PHE 30 N -0.64 0.07 0.18 3.04 3.04 0.87 -0.15 116.94 123.36 1puz h PHE 30 Ca -0.35 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.28 1puz h PHE 30 Cb 1.54 -0.02 0.01 0.00 2.56 0.00 0.00 35.95 40.05 1puz h PHE 30 CO 0.10 0.02 -1.53 0.00 -2.02 0.00 0.00 178.31 174.89 1puz h MET 31 N 0.06 0.39 -0.52 1.11 -0.00 0.24 -1.29 114.93 114.92 1puz h MET 31 Ca 0.29 -0.67 0.15 0.00 -0.00 0.00 0.00 59.70 59.48 1puz h MET 31 Cb 1.09 0.25 -0.02 0.00 -0.00 0.00 0.00 31.60 32.92 1puz h MET 31 CO -0.02 1.30 0.44 1.49 -0.00 0.00 0.00 176.91 180.11 1puz h GLU 32 N 0.11 0.00 0.00 -0.10 4.22 -0.91 0.62 114.58 118.52 1puz h GLU 32 Ca -0.26 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.85 1puz h GLU 32 Cb 2.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.29 1puz h GLU 32 CO 0.21 0.00 -1.90 1.17 -2.18 0.00 0.00 179.01 176.31 1puz n LYS 33 N -4.05 0.57 0.00 1.92 4.81 -0.98 -4.07 118.16 116.36 1puz n LYS 33 Ca 0.10 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1puz n LYS 33 Cb 0.65 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.12 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1puz n GLU 34 N -4.35 0.00 -0.30 1.64 -0.58 -0.49 -3.79 120.64 112.78 1puz n GLU 34 Ca -0.42 0.07 0.33 0.00 -0.42 0.00 0.00 57.16 56.72 1puz n GLU 34 Cb 0.76 -0.66 0.51 0.00 -0.57 0.00 0.00 31.44 31.48 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 0.00 -0.52 -0.32 3.57 -0.19 -1.56 116.94 117.92 1puz h PHE 35 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 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 0.01 0.00 -0.31 -1.91 -2.23 0.00 0.00 178.31 173.87 1puz n GLU 36 N -3.38 -0.23 -2.98 1.11 2.13 0.16 -3.47 120.64 113.98 1puz n GLU 36 Ca 0.27 1.07 -0.14 0.00 0.66 0.00 0.00 57.16 59.02 1puz n GLU 36 Cb 1.61 -1.59 0.01 0.00 0.27 0.00 0.00 31.44 31.74 1puz n GLU 36 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1puz n HIS 37 N -4.22 -0.36 0.00 4.31 8.25 -0.61 -5.08 115.22 117.52 1puz n HIS 37 Ca 0.01 -3.21 0.00 0.00 -0.26 0.00 0.00 57.72 54.26 1puz n HIS 37 Cb 0.13 0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1puz n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1puz n LEU 38 N 0.18 0.00 -3.45 2.41 4.77 -1.09 -5.08 117.00 114.75 1puz n LEU 38 Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1puz n LEU 38 Cb 0.71 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1puz n LEU 38 CO 0.17 -1.06 0.47 -0.44 -1.33 0.00 0.00 177.39 175.20 1puz s SER 39 N -2.00 -0.51 0.14 -1.43 0.01 -1.26 -4.96 113.70 103.68 1puz s SER 39 Ca 0.00 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 56.98 1puz s SER 39 Cb 0.00 0.55 -0.06 0.00 0.21 0.00 0.00 66.02 66.72 1puz s SER 39 CO 0.00 -0.89 1.34 -0.67 0.41 0.00 0.00 173.24 173.43 1puz n ASP 40 N -0.35 -0.91 -0.13 2.44 -0.08 -1.26 0.26 116.55 116.51 1puz n ASP 40 Ca -0.15 1.55 -0.04 0.00 -1.51 0.00 0.00 54.79 54.64 1puz n ASP 40 Cb 0.64 -0.20 0.04 0.00 2.34 0.00 0.00 41.12 43.94 1puz n ASP 40 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1puz h LYS 41 N 0.00 0.26 -0.04 -0.67 3.64 -1.98 0.15 116.57 117.94 1puz h LYS 41 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1puz h LYS 41 Cb 0.36 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1puz h LYS 41 CO -0.82 0.17 -0.01 1.49 -2.27 0.00 0.00 179.45 178.02 1puz h GLU 42 N 0.27 0.06 -0.17 1.90 4.81 0.97 -1.79 114.58 120.63 1puz h GLU 42 Ca 0.21 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1puz h GLU 42 Cb 0.23 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1puz h GLU 42 CO -0.24 0.07 -0.14 -0.07 -0.73 0.00 0.00 179.01 177.90 1puz h LEU 43 N 0.06 0.42 -0.04 1.64 3.38 0.62 -1.78 115.31 119.61 1puz h LEU 43 Ca 0.01 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1puz h LEU 43 Cb 0.05 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1puz h LEU 43 CO 0.00 0.79 -0.52 0.77 0.09 0.00 0.00 178.44 179.58 1puz h SER 44 N 0.05 -1.61 -0.40 -0.43 4.64 -0.11 1.66 113.55 117.35 1puz h SER 44 Ca 0.03 0.19 0.07 0.00 -0.47 0.00 0.00 61.79 61.60 1puz h SER 44 Cb 0.66 0.62 -0.06 0.00 -0.31 0.00 0.00 62.40 63.32 1puz h SER 44 CO 0.04 -0.50 0.05 1.05 -0.87 0.00 0.00 176.83 176.59 1puz h GLU 45 N -0.63 0.16 0.87 4.77 4.11 -1.52 0.70 114.58 123.04 1puz h GLU 45 Ca 0.03 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.41 1puz h GLU 45 Cb 0.70 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1puz h GLU 45 CO -0.38 0.11 -0.44 0.74 0.07 0.00 0.00 179.01 179.10 1puz h PHE 46 N 0.17 -1.16 0.00 2.06 -1.00 -0.37 1.23 116.94 117.86 1puz h PHE 46 Ca 0.19 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1puz h PHE 46 Cb 0.25 0.39 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1puz h PHE 46 CO -0.23 -0.70 0.00 1.03 -1.61 0.00 0.00 178.31 176.80 1puz h SER 47 N -1.21 0.00 0.10 2.17 0.87 0.27 1.55 113.55 117.30 1puz h SER 47 Ca -0.12 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.19 1puz h SER 47 Cb 0.94 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1puz h SER 47 CO 0.18 0.00 -1.29 -0.33 -0.53 0.00 0.00 176.83 174.86 1puz h GLU 48 N 0.00 0.21 -0.03 2.24 5.08 0.13 -3.24 114.58 118.98 1puz h GLU 48 Ca 0.00 -0.36 -0.14 0.00 -1.00 0.00 0.00 59.36 57.86 1puz h GLU 48 Cb 0.01 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1puz h GLU 48 CO 0.00 1.17 -0.52 0.82 -1.00 0.00 0.00 179.01 179.48 1puz h ILE 49 N -0.41 1.43 0.00 3.13 2.04 0.26 -2.96 117.51 121.00 1puz h ILE 49 Ca -0.28 -1.98 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1puz h ILE 49 Cb 1.67 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 40.27 1puz h ILE 49 CO 0.04 0.58 0.20 -0.07 0.00 0.00 0.00 178.15 178.89 1puz h LEU 50 N -0.11 0.00 -1.03 1.44 3.38 0.20 -2.33 115.31 116.85 1puz h LEU 50 Ca -0.06 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.31 1puz h LEU 50 Cb 1.22 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.82 1puz h LEU 50 CO 0.10 0.00 0.61 -0.62 0.09 0.00 0.00 178.44 178.62 1puz n GLU 51 N -2.81 -0.04 -2.67 1.13 -0.58 -1.12 -4.27 120.64 110.27 1puz n GLU 51 Ca -0.02 1.18 -0.30 0.00 -0.42 0.00 0.00 57.16 57.60 1puz n GLU 51 Cb 0.25 -2.21 -0.03 0.00 -0.57 0.00 0.00 31.44 28.88 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 -5.24 3.49 0.92 -0.32 0.08 -0.88 -5.08 117.98 110.95 1puz s PHE 52 Ca -0.07 1.12 -0.14 0.00 0.12 0.00 0.00 56.93 57.96 1puz s PHE 52 Cb 0.29 -2.52 0.15 0.00 -0.57 0.00 0.00 43.02 40.38 1puz s PHE 52 CO 0.71 -0.22 1.22 -0.65 -0.10 0.00 0.00 175.22 176.18 1puz s GLN 53 N -4.07 1.05 0.07 0.44 1.11 -1.26 -4.73 119.66 112.27 1puz s GLN 53 Ca 0.53 -0.07 -0.33 0.00 0.01 0.00 0.00 55.36 55.51 1puz s GLN 53 Cb -0.10 -1.86 -0.19 0.00 -1.01 0.00 0.00 33.01 29.85 1puz s GLN 53 CO 0.34 -2.19 1.60 -0.44 0.01 0.00 0.00 175.29 174.61 1puz h ASP 54 N -1.48 -0.76 -0.51 5.90 3.45 -1.82 1.42 116.42 122.62 1puz h ASP 54 Ca -0.46 0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.09 1puz h ASP 54 Cb 1.29 0.20 -0.09 0.00 -0.56 0.00 0.00 39.33 40.16 1puz h ASP 54 CO 0.52 -0.53 -0.50 -0.61 -1.57 0.00 0.00 179.24 176.55 1puz h GLN 55 N -0.92 -0.29 -0.69 3.56 4.15 -1.81 0.70 115.11 119.80 1puz h GLN 55 Ca -0.09 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1puz h GLN 55 Cb 0.70 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 1puz h GLN 55 CO 0.15 -0.20 0.18 0.93 -1.93 0.00 0.00 178.83 177.96 1puz h GLU 56 N -0.30 1.08 0.35 1.69 4.39 -1.92 -2.29 114.58 117.59 1puz h GLU 56 Ca 0.12 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1puz h GLU 56 Cb 0.57 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1puz h GLU 56 CO -0.65 0.95 -0.44 1.25 -1.16 0.00 0.00 179.01 178.96 1puz h LEU 57 N 1.03 -1.24 -0.25 1.33 5.85 0.44 0.86 115.31 123.34 1puz h LEU 57 Ca 0.22 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1puz h LEU 57 Cb 0.35 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 1puz h LEU 57 CO -0.00 -0.55 -0.55 0.25 -0.34 0.00 0.00 178.44 177.25 1puz h LEU 58 N -0.81 -1.77 -0.77 2.25 5.85 0.34 0.21 115.31 120.61 1puz h LEU 58 Ca -0.04 0.22 0.17 0.00 0.84 0.00 0.00 57.88 59.06 1puz h LEU 58 Cb 0.73 0.71 -0.11 0.00 0.37 0.00 0.00 40.66 42.36 1puz h LEU 58 CO -0.10 -0.45 0.23 0.00 -0.34 0.00 0.00 178.44 177.78 1puz h ALA 59 N -0.18 1.04 -0.73 1.25 0.00 -1.16 0.46 119.26 119.94 1puz h ALA 59 Ca 0.05 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1puz h ALA 59 Cb 0.65 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 1puz h ALA 59 CO -0.50 -0.32 0.33 -0.07 0.00 0.00 0.00 179.25 178.69 1puz h LEU 60 N 0.31 0.37 0.69 0.00 3.38 0.37 1.45 115.31 121.88 1puz h LEU 60 Ca 0.44 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.46 1puz h LEU 60 Cb 0.75 0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1puz h LEU 60 CO -0.50 0.18 -0.33 0.40 0.09 0.00 0.00 178.44 178.28 1puz h ILE 61 N 0.52 0.28 -0.23 1.22 1.08 0.22 -1.74 117.51 118.87 1puz h ILE 61 Ca 0.38 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.82 1puz h ILE 61 Cb 0.51 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 34.56 1puz h ILE 61 CO -0.34 0.01 0.30 0.78 -0.69 0.00 0.00 178.15 178.22 1puz h ASN 62 N -1.00 0.00 0.00 1.72 2.35 -0.29 -3.44 115.58 114.91 1puz h ASN 62 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1puz h ASN 62 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1puz h ASN 62 CO 0.16 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.55 1puz n GLY 63 N -1.39 1.96 0.00 2.83 0.00 0.19 -5.06 105.19 103.71 1puz n GLY 63 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.06 0.00 -0.79 1.61 8.25 0.44 -4.94 115.22 118.73 1puz n HIS 64 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1puz n HIS 64 Cb 0.01 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.06 0.61 0.35 0.41 0.15 -1.26 -4.93 113.70 107.98 1puz s SER 65 Ca 0.00 0.95 0.09 0.00 0.70 0.00 0.00 55.95 57.69 1puz s SER 65 Cb 0.00 -1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 62.84 1puz s SER 65 CO 0.00 -4.35 -0.00 -1.61 1.20 0.00 0.00 173.24 168.48 1puz s GLU 66 N -5.04 2.02 -0.14 5.44 2.02 -1.26 -4.66 118.70 117.08 1puz s GLU 66 Ca 0.69 -1.81 0.01 0.00 0.02 0.00 0.00 54.97 53.88 1puz s GLU 66 Cb -0.15 -1.87 0.02 0.00 0.10 0.00 0.00 34.13 32.22 1puz s GLU 66 CO 0.59 0.12 -0.18 -0.08 0.02 0.00 0.00 175.26 175.72 1puz s THR 67 N -2.55 1.78 -0.28 3.63 -1.32 -1.26 -5.00 115.64 110.65 1puz s THR 67 Ca 0.35 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1puz s THR 67 Cb 0.01 -1.61 0.25 0.00 -1.51 0.00 0.00 72.50 69.64 1puz s THR 67 CO 0.19 0.49 1.79 -0.67 -2.21 0.00 0.00 174.62 174.21 1puz n ASP 68 N 4.38 5.26 -3.65 8.08 2.03 -1.26 -4.72 116.55 126.66 1puz n ASP 68 Ca -0.19 -2.94 -0.11 0.00 0.52 0.00 0.00 54.79 52.07 1puz n ASP 68 Cb 0.51 -0.90 -0.11 0.00 -0.72 0.00 0.00 41.12 39.89 1puz n ASP 68 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1puz s LYS 69 N -1.71 0.24 0.04 -0.67 2.47 -1.26 -5.01 119.74 113.84 1puz s LYS 69 Ca 0.29 0.88 0.26 0.00 -1.56 0.00 0.00 55.97 55.84 1puz s LYS 69 Cb 0.24 0.13 1.06 0.00 -1.46 0.00 0.00 37.83 37.80 1puz s LYS 69 CO 0.02 -0.28 1.82 0.41 0.16 0.00 0.00 175.35 177.47 1puz n GLY 70 N 5.37 -1.43 0.13 5.54 0.00 -1.26 -2.61 105.19 110.93 1puz n GLY 70 Ca -0.07 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.62 0.04 -0.04 1.61 -0.00 -1.26 -3.42 115.22 110.53 1puz n HIS 71 Ca 0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.72 57.71 1puz n HIS 71 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.27 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 -0.57 2.75 -0.34 2.41 4.77 -1.07 -4.14 117.00 120.80 1puz n LEU 72 Ca 0.16 -0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.14 1puz n LEU 72 Cb 0.13 -0.24 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1puz n LEU 72 CO 0.12 0.59 0.59 -0.38 -1.33 0.00 0.00 177.39 176.99 1puz n ILE 73 N -2.69 -0.42 0.06 -0.08 5.41 -1.21 0.22 119.36 120.64 1puz n ILE 73 Ca -0.14 2.14 -0.08 0.00 1.00 0.00 0.00 62.75 65.67 1puz n ILE 73 Cb 0.65 -2.91 -0.05 0.00 -0.71 0.00 0.00 39.64 36.62 1puz n ILE 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1puz h PRO 74 N 0.00 -0.24 -0.26 0.38 0.13 -1.83 -3.10 132.00 127.09 1puz h PRO 74 Ca 0.40 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.63 1puz h PRO 74 Cb 0.63 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1puz h PRO 74 CO -0.94 0.05 0.61 0.52 -0.23 0.00 0.00 178.00 178.01 1puz h MET 75 N -1.00 0.00 -0.01 0.86 2.86 -1.38 0.64 114.93 116.90 1puz h MET 75 Ca -0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1puz h MET 75 Cb 0.40 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.07 1puz h MET 75 CO 0.04 0.00 -0.40 -0.07 1.06 0.00 0.00 176.91 177.54 1puz h LEU 76 N 0.00 0.38 -0.55 1.22 3.38 0.26 -2.38 115.31 117.62 1puz h LEU 76 Ca 0.12 -0.74 0.10 0.00 0.09 0.00 0.00 57.88 57.45 1puz h LEU 76 Cb 1.35 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1puz h LEU 76 CO -0.00 1.07 0.08 -0.33 0.09 0.00 0.00 178.44 179.35 1puz h GLU 77 N -0.27 0.20 0.85 1.13 3.07 0.37 1.66 114.58 121.58 1puz h GLU 77 Ca -0.05 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 1puz h GLU 77 Cb 1.12 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1puz h GLU 77 CO 0.08 0.13 -0.41 -0.22 -1.40 0.00 0.00 179.01 177.19 1puz h LYS 78 N 0.20 -1.10 0.07 2.33 3.64 -1.54 -2.25 116.57 117.92 1puz h LYS 78 Ca 0.28 0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1puz h LYS 78 Cb 0.41 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1puz h LYS 78 CO -0.39 -0.73 -0.45 0.82 -2.27 0.00 0.00 179.45 176.42 1puz h ILE 79 N -1.21 0.11 -1.13 2.00 2.04 -0.99 0.60 117.51 118.93 1puz h ILE 79 Ca -0.12 0.00 0.43 0.00 1.00 0.00 0.00 64.86 66.17 1puz h ILE 79 Cb 0.88 0.11 -0.15 0.00 -0.74 0.00 0.00 36.82 36.91 1puz h ILE 79 CO 0.19 0.00 0.67 -1.14 0.00 0.00 0.00 178.15 177.88 1puz n ARG 80 N -5.47 -0.05 0.44 2.37 0.00 0.56 0.54 116.66 115.06 1puz n ARG 80 Ca -0.07 1.26 -0.18 0.00 -0.00 0.00 0.00 57.85 58.86 1puz n ARG 80 Cb 0.39 -2.37 -0.09 0.00 0.00 0.00 0.00 32.46 30.39 1puz n ARG 80 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1puz h ARG 81 N 0.00 -1.09 0.00 -0.14 2.43 -0.25 -3.51 114.38 111.82 1puz h ARG 81 Ca 0.83 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 60.07 1puz h ARG 81 Cb 2.42 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 32.22 1puz h ARG 81 CO -0.60 -0.72 0.00 0.00 -1.51 0.00 0.00 179.97 177.14