#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puz s MET 2 N 0.00 0.38 0.30 3.17 -2.45 -1.26 -5.15 119.30 114.29 1puz s MET 2 Ca 0.00 0.05 0.07 0.00 -1.25 0.00 0.00 55.69 54.56 1puz s MET 2 Cb 0.00 -0.43 -0.03 0.00 1.25 0.00 0.00 34.83 35.62 1puz s MET 2 CO 0.00 -1.02 0.29 0.08 1.05 0.00 0.00 175.02 175.42 1puz s VAL 3 N 2.48 4.08 0.00 10.11 1.01 -1.26 -5.10 120.40 131.71 1puz s VAL 3 Ca 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1puz s VAL 3 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1puz s VAL 3 CO -0.31 -0.25 0.00 0.33 0.00 0.00 0.00 175.10 174.88 1puz n PHE 4 N -1.35 0.00 -4.50 5.22 7.35 -1.26 -5.06 117.46 117.86 1puz n PHE 4 Ca -0.04 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.39 1puz n PHE 4 Cb 0.59 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.34 1puz n PHE 4 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1puz s ASP 5 N 0.00 2.74 0.58 -2.13 1.11 -1.26 -4.93 116.67 112.77 1puz s ASP 5 Ca 0.00 -1.71 0.37 0.00 0.18 0.00 0.00 52.55 51.39 1puz s ASP 5 Cb 0.00 0.55 1.40 0.00 1.07 0.00 0.00 42.92 45.94 1puz s ASP 5 CO 0.00 -0.97 1.58 -2.24 1.18 0.00 0.00 175.17 174.72 1puz h ASP 6 N 1.79 0.00 -0.06 0.27 3.04 -2.03 1.46 116.42 120.89 1puz h ASP 6 Ca -0.34 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.44 1puz h ASP 6 Cb 1.27 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.56 1puz h ASP 6 CO 0.54 0.00 0.00 0.40 -2.04 0.00 0.00 179.24 178.14 1puz h ILE 7 N 0.00 1.23 -0.54 4.15 2.04 -2.01 -2.09 117.51 120.29 1puz h ILE 7 Ca 0.61 -0.72 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1puz h ILE 7 Cb 2.81 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 40.47 1puz h ILE 7 CO -0.01 0.20 0.68 0.00 0.00 0.00 0.00 178.15 179.03 1puz h ALA 8 N 0.74 2.28 0.58 1.87 0.00 0.17 0.18 119.26 125.08 1puz h ALA 8 Ca 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1puz h ALA 8 Cb 0.31 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1puz h ALA 8 CO 0.00 -0.96 -0.28 -0.22 0.00 0.00 0.00 179.25 177.79 1puz h LYS 9 N 0.00 -0.75 -1.08 0.00 1.63 -1.24 -2.98 116.57 112.16 1puz h LYS 9 Ca 0.26 0.05 0.34 0.00 -0.85 0.00 0.00 60.65 60.44 1puz h LYS 9 Cb 1.62 0.17 -0.14 0.00 -0.60 0.00 0.00 32.23 33.29 1puz h LYS 9 CO -0.00 -0.45 0.65 -0.09 -3.45 0.00 0.00 179.45 176.10 1puz h ARG 10 N -1.11 0.28 -0.09 1.90 2.43 -0.63 0.45 114.38 117.61 1puz h ARG 10 Ca -0.08 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1puz h ARG 10 Cb 0.65 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 1puz h ARG 10 CO 0.13 0.19 -0.21 0.87 -1.51 0.00 0.00 179.97 179.43 1puz h LYS 11 N 0.29 -0.28 -0.99 0.20 1.79 -1.34 1.49 116.57 117.74 1puz h LYS 11 Ca 0.73 0.02 0.19 0.00 -2.18 0.00 0.00 60.65 59.41 1puz h LYS 11 Cb 1.83 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 32.36 1puz h LYS 11 CO -0.51 -0.19 -0.28 0.97 -1.08 0.00 0.00 179.45 178.36 1puz h ILE 12 N -0.29 0.01 0.09 1.86 -0.00 0.00 0.70 117.51 119.88 1puz h ILE 12 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.94 1puz h ILE 12 Cb 0.42 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.25 1puz h ILE 12 CO -0.26 0.00 -0.04 0.03 -0.00 0.00 0.00 178.15 177.88 1puz h ARG 13 N -0.00 -0.12 -0.82 2.19 3.08 -1.20 -2.69 114.38 114.82 1puz h ARG 13 Ca 0.45 0.01 0.24 0.00 0.07 0.00 0.00 59.98 60.74 1puz h ARG 13 Cb 0.69 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 1puz h ARG 13 CO -1.01 0.40 0.95 0.35 -1.07 0.00 0.00 179.97 179.59 1puz h PHE 14 N -0.88 0.00 0.00 3.04 3.04 0.38 0.37 116.94 122.88 1puz h PHE 14 Ca -0.01 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1puz h PHE 14 Cb 0.57 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1puz h PHE 14 CO 0.12 0.00 -0.50 1.96 -2.02 0.00 0.00 178.31 177.87 1puz h GLN 15 N 0.00 0.00 0.00 1.11 1.08 0.34 -3.47 115.11 114.17 1puz h GLN 15 Ca 0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 1puz h GLN 15 Cb 2.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.72 1puz h GLN 15 CO -0.00 0.86 0.00 0.25 -0.95 0.00 0.00 178.83 178.98 1puz n THR 16 N -4.56 0.00 -1.46 -0.54 -2.24 0.13 -4.87 114.28 100.74 1puz n THR 16 Ca -0.17 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.79 1puz n THR 16 Cb 0.50 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.01 -3.24 -0.93 -0.78 1.74 -1.26 -4.99 116.66 106.19 1puz n ARG 17 Ca 0.00 2.54 0.12 0.00 -0.77 0.00 0.00 57.85 59.74 1puz n ARG 17 Cb 0.00 -3.84 -0.04 0.00 -1.02 0.00 0.00 32.46 27.56 1puz n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1puz n ARG 18 N -4.34 -1.91 0.00 5.56 1.74 -1.26 -4.76 116.66 111.69 1puz n ARG 18 Ca -0.07 1.32 0.00 0.00 -0.77 0.00 0.00 57.85 58.33 1puz n ARG 18 Cb 0.69 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1puz n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1puz n GLY 19 N -3.27 1.03 2.97 -0.13 0.00 -1.26 -4.43 105.19 100.10 1puz n GLY 19 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 1.29 0.01 0.99 1.02 -1.26 -4.45 118.68 116.28 1puz s LEU 20 Ca 0.00 0.26 -0.18 0.00 0.02 0.00 0.00 54.13 54.23 1puz s LEU 20 Cb 0.00 0.39 -0.10 0.00 0.02 0.00 0.00 46.19 46.50 1puz s LEU 20 CO 0.00 -0.08 1.01 0.25 0.02 0.00 0.00 176.35 177.56 1puz h LEU 21 N 6.36 -0.55 -0.94 1.79 5.85 -2.00 -2.52 115.31 123.31 1puz h LEU 21 Ca -0.31 0.02 0.26 0.00 0.84 0.00 0.00 57.88 58.70 1puz h LEU 21 Cb 1.18 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 42.22 1puz h LEU 21 CO 0.43 -0.31 0.43 -0.08 -0.34 0.00 0.00 178.44 178.57 1puz h GLU 22 N -0.82 0.33 -0.19 1.25 4.57 -1.97 0.28 114.58 118.03 1puz h GLU 22 Ca -0.07 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1puz h GLU 22 Cb 0.50 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 1puz h GLU 22 CO 0.11 0.22 -0.23 1.25 -1.18 0.00 0.00 179.01 179.18 1puz h LEU 23 N 0.34 -0.71 -1.23 1.64 7.12 -1.90 0.62 115.31 121.18 1puz h LEU 23 Ca 0.63 0.13 0.25 0.00 0.13 0.00 0.00 57.88 59.02 1puz h LEU 23 Cb 1.31 0.33 -0.10 0.00 -0.53 0.00 0.00 40.66 41.67 1puz h LEU 23 CO -0.59 -0.27 0.64 -0.78 -0.13 0.00 0.00 178.44 177.32 1puz h ASP 24 N -0.26 0.54 -0.02 1.25 1.82 0.01 0.21 116.42 119.97 1puz h ASP 24 Ca 0.12 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.84 1puz h ASP 24 Cb 0.44 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.46 1puz h ASP 24 CO -0.34 0.11 -0.07 -0.07 -1.61 0.00 0.00 179.24 177.26 1puz h LEU 25 N 0.48 0.10 -0.58 2.28 3.38 -0.26 -2.92 115.31 117.78 1puz h LEU 25 Ca 0.61 -0.62 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1puz h LEU 25 Cb 1.38 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.99 1puz h LEU 25 CO -0.35 0.70 -0.26 0.40 0.09 0.00 0.00 178.44 179.01 1puz h ILE 26 N -0.50 0.25 -0.99 1.22 2.04 0.30 0.42 117.51 120.26 1puz h ILE 26 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1puz h ILE 26 Cb 0.69 0.25 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1puz h ILE 26 CO 0.01 0.00 0.61 -0.26 0.00 0.00 0.00 178.15 178.51 1puz h PHE 27 N -0.11 1.10 -0.88 1.37 0.04 -0.95 0.12 116.94 117.63 1puz h PHE 27 Ca 0.26 0.03 0.19 0.00 2.80 0.00 0.00 57.97 61.25 1puz h PHE 27 Cb 0.52 -0.34 -0.17 0.00 2.20 0.00 0.00 35.95 38.16 1puz h PHE 27 CO -0.58 0.40 -0.16 0.78 -0.60 0.00 0.00 178.31 178.15 1puz h GLY 28 N 0.93 0.74 0.00 -1.45 0.00 0.05 0.30 103.07 103.63 1puz h GLY 28 Ca 0.50 0.25 -0.05 0.00 0.00 0.00 0.00 47.33 48.03 1puz h GLY 28 CO -0.29 -0.35 -0.44 3.21 0.00 0.00 0.00 176.54 178.67 1puz h ARG 29 N 0.01 0.00 -0.89 4.80 3.08 -1.24 -3.15 114.38 116.99 1puz h ARG 29 Ca 0.44 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.58 1puz h ARG 29 Cb 0.73 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.67 1puz h ARG 29 CO -0.88 0.44 -0.51 0.34 -1.07 0.00 0.00 179.97 178.29 1puz n PHE 30 N -4.62 -0.37 -0.08 3.04 7.35 0.34 0.19 117.46 123.32 1puz n PHE 30 Ca -0.12 1.11 -0.08 0.00 -0.76 0.00 0.00 57.45 57.60 1puz n PHE 30 Cb 0.33 -0.59 -0.01 0.00 0.35 0.00 0.00 39.48 39.57 1puz n PHE 30 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 1puz h MET 31 N 0.00 0.27 -0.52 -4.13 2.86 -0.60 0.30 114.93 113.11 1puz h MET 31 Ca 0.15 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.93 1puz h MET 31 Cb 0.37 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1puz h MET 31 CO -0.84 0.18 0.61 1.49 1.06 0.00 0.00 176.91 179.41 1puz h GLU 32 N 0.27 0.00 0.00 1.72 4.81 -0.21 0.91 114.58 122.07 1puz h GLU 32 Ca 0.12 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1puz h GLU 32 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1puz h GLU 32 CO -0.10 0.00 -0.82 1.17 -0.73 0.00 0.00 179.01 178.53 1puz n LYS 33 N -3.55 0.49 0.00 1.92 4.81 -0.02 -3.93 118.16 117.88 1puz n LYS 33 Ca 0.10 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1puz n LYS 33 Cb 0.80 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 34.21 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 -4.54 0.00 0.30 1.64 -0.58 0.90 -3.63 120.64 114.73 1puz n GLU 34 Ca -0.15 0.27 0.05 0.00 -0.42 0.00 0.00 57.16 56.91 1puz n GLU 34 Cb 0.41 -0.87 0.28 0.00 -0.57 0.00 0.00 31.44 30.68 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 -0.71 -0.32 3.57 0.39 -2.13 116.94 117.74 1puz h PHE 35 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1puz h PHE 35 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 1puz h PHE 35 CO 0.03 0.00 -0.09 -0.85 -2.23 0.00 0.00 178.31 175.17 1puz n GLU 36 N -2.50 -0.06 -2.69 1.11 0.28 0.14 -2.94 120.64 113.98 1puz n GLU 36 Ca -0.01 1.09 -0.06 0.00 -0.16 0.00 0.00 57.16 58.02 1puz n GLU 36 Cb 0.73 -1.67 0.11 0.00 1.43 0.00 0.00 31.44 32.04 1puz n GLU 36 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1puz n HIS 37 N -5.07 -2.04 0.00 -1.84 -0.00 -0.81 -5.06 115.22 100.40 1puz n HIS 37 Ca 0.14 -1.97 0.00 0.00 -0.00 0.00 0.00 57.72 55.89 1puz n HIS 37 Cb 0.45 1.40 0.00 0.00 -0.00 0.00 0.00 29.99 31.84 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 -0.71 0.00 0.00 0.27 4.77 -1.15 -5.07 117.00 115.11 1puz n LEU 38 Ca -0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1puz n LEU 38 Cb 0.85 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.96 1puz n LEU 38 CO -0.06 -1.48 0.40 -0.24 -1.33 0.00 0.00 177.39 174.69 1puz n SER 39 N -2.89 -1.32 0.15 -1.43 2.88 -1.26 -5.01 113.62 104.73 1puz n SER 39 Ca 0.00 -1.85 -0.15 0.00 -1.33 0.00 0.00 58.87 55.54 1puz n SER 39 Cb 0.00 2.19 -0.09 0.00 -0.75 0.00 0.00 64.21 65.56 1puz n SER 39 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1puz h ASP 40 N 1.25 -1.36 -0.95 -3.46 1.82 -1.97 1.88 116.42 113.64 1puz h ASP 40 Ca -0.20 0.13 0.12 0.00 -0.39 0.00 0.00 57.03 56.69 1puz h ASP 40 Cb 0.77 0.49 -0.13 0.00 0.68 0.00 0.00 39.33 41.13 1puz h ASP 40 CO 0.25 -0.53 -0.46 1.17 -1.61 0.00 0.00 179.24 178.07 1puz n LYS 41 N -5.13 -0.32 -0.16 0.28 4.81 -1.26 0.80 118.16 117.19 1puz n LYS 41 Ca -0.08 1.44 -0.09 0.00 -0.87 0.00 0.00 58.31 58.71 1puz n LYS 41 Cb 0.38 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1puz n LYS 41 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1puz h GLU 42 N 0.00 0.73 -0.82 1.64 4.39 -1.79 -2.71 114.58 116.02 1puz h GLU 42 Ca 0.24 -0.17 0.20 0.00 0.34 0.00 0.00 59.36 59.98 1puz h GLU 42 Cb 0.48 -0.10 -0.13 0.00 -0.10 0.00 0.00 28.75 28.90 1puz h GLU 42 CO -0.91 0.71 0.18 -0.07 -1.16 0.00 0.00 179.01 177.75 1puz h LEU 43 N 0.61 -0.05 0.22 1.33 3.38 0.92 0.91 115.31 122.63 1puz h LEU 43 Ca 0.15 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.30 1puz h LEU 43 Cb 0.30 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1puz h LEU 43 CO -0.00 -0.12 -0.51 -1.28 0.09 0.00 0.00 178.44 176.62 1puz h SER 44 N 0.21 -1.48 0.81 -0.43 0.87 -0.09 0.92 113.55 114.37 1puz h SER 44 Ca 0.49 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 61.16 1puz h SER 44 Cb 0.92 0.53 0.01 0.00 -0.44 0.00 0.00 62.40 63.42 1puz h SER 44 CO -0.61 -0.58 -0.39 -0.33 -0.53 0.00 0.00 176.83 174.39 1puz h GLU 45 N -0.81 -1.05 -0.57 2.24 4.39 -1.00 -0.02 114.58 117.77 1puz h GLU 45 Ca -0.02 0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.85 1puz h GLU 45 Cb 0.78 0.24 -0.11 0.00 -0.10 0.00 0.00 28.75 29.56 1puz h GLU 45 CO -0.22 -0.69 -0.35 0.74 -1.16 0.00 0.00 179.01 177.32 1puz h PHE 46 N -1.15 -0.99 0.00 4.33 -1.00 0.86 1.63 116.94 120.62 1puz h PHE 46 Ca -0.11 0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 1puz h PHE 46 Cb 0.84 0.52 -0.00 0.00 3.61 0.00 0.00 35.95 40.92 1puz h PHE 46 CO -0.01 -0.39 -0.01 1.03 -1.61 0.00 0.00 178.31 177.32 1puz h SER 47 N -0.19 0.00 0.17 2.17 0.87 0.95 1.02 113.55 118.54 1puz h SER 47 Ca 0.21 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.46 1puz h SER 47 Cb 0.55 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1puz h SER 47 CO -0.66 0.01 -1.54 -0.33 -0.53 0.00 0.00 176.83 173.77 1puz h GLU 48 N 0.00 0.36 -0.00 2.24 3.07 0.36 -3.25 114.58 117.35 1puz h GLU 48 Ca -0.00 -0.61 -0.04 0.00 -0.50 0.00 0.00 59.36 58.21 1puz h GLU 48 Cb 0.15 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1puz h GLU 48 CO 0.00 1.29 -0.14 0.82 -1.40 0.00 0.00 179.01 179.58 1puz h ILE 49 N -0.06 1.57 -0.41 3.13 2.04 0.25 -3.07 117.51 120.96 1puz h ILE 49 Ca -0.31 -1.89 0.12 0.00 1.00 0.00 0.00 64.86 63.79 1puz h ILE 49 Cb 1.96 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 40.82 1puz h ILE 49 CO 0.15 0.51 0.60 -0.07 0.00 0.00 0.00 178.15 179.34 1puz h LEU 50 N -0.61 0.00 -1.53 1.44 3.38 0.89 -0.56 115.31 118.32 1puz h LEU 50 Ca -0.02 0.00 0.49 0.00 0.09 0.00 0.00 57.88 58.45 1puz h LEU 50 Cb 0.91 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 1puz h LEU 50 CO 0.03 0.00 1.03 -0.62 0.09 0.00 0.00 178.44 178.97 1puz n GLU 51 N -3.37 -0.02 -2.68 1.13 -0.58 -1.16 -4.28 120.64 109.68 1puz n GLU 51 Ca 0.08 1.15 -0.31 0.00 -0.42 0.00 0.00 57.16 57.66 1puz n GLU 51 Cb 0.77 -2.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 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 -5.05 3.46 0.77 -0.32 0.08 -0.22 -5.07 117.98 111.63 1puz s PHE 52 Ca -0.06 1.24 -0.11 0.00 0.12 0.00 0.00 56.93 58.12 1puz s PHE 52 Cb 0.28 -2.60 0.07 0.00 -0.57 0.00 0.00 43.02 40.21 1puz s PHE 52 CO 0.81 -0.21 1.13 -0.65 -0.10 0.00 0.00 175.22 176.21 1puz s GLN 53 N -3.89 2.12 0.15 0.44 -0.21 -1.26 -4.78 119.66 112.24 1puz s GLN 53 Ca 0.55 0.06 -0.16 0.00 0.02 0.00 0.00 55.36 55.82 1puz s GLN 53 Cb -0.10 -2.02 0.02 0.00 1.00 0.00 0.00 33.01 31.91 1puz s GLN 53 CO 0.30 -1.44 1.80 -0.44 -2.12 0.00 0.00 175.29 173.39 1puz h ASP 54 N -0.89 0.38 0.16 5.90 3.45 -1.86 0.98 116.42 124.54 1puz h ASP 54 Ca -0.46 -0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.02 1puz h ASP 54 Cb 1.32 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.96 1puz h ASP 54 CO 0.64 0.28 -0.36 -0.61 -1.57 0.00 0.00 179.24 177.62 1puz h GLN 55 N 0.47 -0.59 -0.70 3.56 4.15 -1.84 0.20 115.11 120.36 1puz h GLN 55 Ca 0.14 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.56 1puz h GLN 55 Cb -0.02 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1puz h GLN 55 CO -0.05 -0.39 0.25 0.93 -1.93 0.00 0.00 178.83 177.64 1puz h GLU 56 N -0.61 1.06 0.23 1.69 4.39 -1.88 -2.28 114.58 117.19 1puz h GLU 56 Ca 0.02 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1puz h GLU 56 Cb 0.63 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1puz h GLU 56 CO -0.18 0.89 -0.47 1.25 -1.16 0.00 0.00 179.01 179.34 1puz h LEU 57 N 1.01 -1.36 -0.19 1.33 5.85 0.16 1.27 115.31 123.39 1puz h LEU 57 Ca 0.23 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1puz h LEU 57 Cb 0.25 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1puz h LEU 57 CO -0.01 -0.53 -0.40 0.25 -0.34 0.00 0.00 178.44 177.40 1puz h LEU 58 N -0.76 -1.31 -0.75 2.25 5.85 -0.53 0.68 115.31 120.75 1puz h LEU 58 Ca -0.02 0.16 0.17 0.00 0.84 0.00 0.00 57.88 59.02 1puz h LEU 58 Cb 0.72 0.52 -0.11 0.00 0.37 0.00 0.00 40.66 42.15 1puz h LEU 58 CO -0.18 -0.33 0.17 0.00 -0.34 0.00 0.00 178.44 177.76 1puz h ALA 59 N -0.51 0.97 0.40 1.25 0.00 -1.15 0.41 119.26 120.63 1puz h ALA 59 Ca 0.04 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1puz h ALA 59 Cb 0.47 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1puz h ALA 59 CO -0.37 -0.35 -0.40 -0.07 0.00 0.00 0.00 179.25 178.06 1puz h LEU 60 N 0.26 -1.10 -0.69 0.00 3.38 0.39 1.73 115.31 119.28 1puz h LEU 60 Ca 0.43 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.63 1puz h LEU 60 Cb 0.74 0.36 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1puz h LEU 60 CO -0.53 -0.53 0.06 0.40 0.09 0.00 0.00 178.44 177.93 1puz h ILE 61 N -0.80 0.47 -0.67 1.22 2.04 0.14 0.80 117.51 120.70 1puz h ILE 61 Ca -0.05 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1puz h ILE 61 Cb 0.69 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1puz h ILE 61 CO -0.05 0.03 0.45 0.78 0.00 0.00 0.00 178.15 179.36 1puz h ASN 62 N 0.16 0.67 0.00 1.72 2.35 0.36 -3.46 115.58 117.38 1puz h ASN 62 Ca 0.37 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1puz h ASN 62 Cb 0.63 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1puz h ASN 62 CO -0.55 0.45 0.00 0.61 -1.65 0.00 0.00 177.43 176.29 1puz n GLY 63 N -1.45 1.76 0.00 2.83 0.00 0.28 -5.07 105.19 103.53 1puz n GLY 63 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.52 0.00 -0.37 1.61 8.25 0.53 -4.95 115.22 119.77 1puz n HIS 64 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1puz n HIS 64 Cb 0.00 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.21 -3.24 -4.61 0.41 7.64 -1.25 -4.90 113.62 107.46 1puz n SER 65 Ca 0.00 -0.56 -0.27 0.00 1.01 0.00 0.00 58.87 59.05 1puz n SER 65 Cb 0.00 -1.03 -0.11 0.00 -1.01 0.00 0.00 64.21 62.06 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 -4.50 1.94 -0.16 1.43 2.02 -1.26 -4.66 118.70 113.51 1puz s GLU 66 Ca 0.62 -2.05 0.01 0.00 0.02 0.00 0.00 54.97 53.58 1puz s GLU 66 Cb -0.15 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.42 1puz s GLU 66 CO 0.57 -0.00 -0.18 -0.08 0.02 0.00 0.00 175.26 175.59 1puz s THR 67 N -2.68 1.87 -0.30 3.63 -1.32 -1.26 -4.99 115.64 110.60 1puz s THR 67 Ca 0.35 -0.83 0.01 0.00 -1.21 0.00 0.00 61.69 60.01 1puz s THR 67 Cb 0.08 -1.70 0.33 0.00 -1.51 0.00 0.00 72.50 69.69 1puz s THR 67 CO 0.18 0.51 1.71 -0.67 -2.21 0.00 0.00 174.62 174.14 1puz n ASP 68 N 4.58 4.69 -3.66 8.08 2.03 -1.26 -4.74 116.55 126.27 1puz n ASP 68 Ca -0.19 -3.01 -0.09 0.00 0.52 0.00 0.00 54.79 52.02 1puz n ASP 68 Cb 0.50 -0.83 -0.10 0.00 -0.72 0.00 0.00 41.12 39.98 1puz n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1puz s LYS 69 N -1.96 0.31 0.00 -0.67 1.02 -1.26 -5.00 119.74 112.17 1puz s LYS 69 Ca 0.34 1.00 0.26 0.00 0.02 0.00 0.00 55.97 57.59 1puz s LYS 69 Cb 0.28 0.29 1.38 0.00 -0.52 0.00 0.00 37.83 39.25 1puz s LYS 69 CO 0.04 -0.25 1.87 0.41 -0.92 0.00 0.00 175.35 176.50 1puz n GLY 70 N 5.34 -1.01 0.08 -3.33 0.00 -1.26 -2.33 105.19 102.68 1puz n GLY 70 Ca -0.09 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.18 0.00 -0.08 1.61 8.25 -1.26 -3.68 115.22 118.87 1puz n HIS 71 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 1puz n HIS 71 Cb 0.16 -0.25 -0.11 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.17 1.08 -0.32 2.41 4.77 -0.99 -3.91 117.00 118.88 1puz n LEU 72 Ca 0.10 -0.04 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1puz n LEU 72 Cb 0.32 -0.01 0.12 0.00 -2.33 0.00 0.00 43.42 41.52 1puz n LEU 72 CO 0.28 0.54 0.68 0.40 -1.33 0.00 0.00 177.39 177.97 1puz h ILE 73 N 0.00 0.10 0.09 -0.08 2.04 -1.62 1.80 117.51 119.84 1puz h ILE 73 Ca -0.42 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1puz h ILE 73 Cb 1.84 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1puz h ILE 73 CO -0.01 0.00 -0.04 1.55 0.00 0.00 0.00 178.15 179.65 1puz h PRO 74 N 0.00 -0.11 -0.09 2.37 0.13 -1.79 -3.12 132.00 129.39 1puz h PRO 74 Ca 0.43 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.60 1puz h PRO 74 Cb 0.67 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1puz h PRO 74 CO -0.92 0.42 0.34 0.52 -0.23 0.00 0.00 178.00 178.13 1puz h MET 75 N -0.87 0.00 -0.03 0.86 2.86 -1.37 0.38 114.93 116.76 1puz h MET 75 Ca -0.01 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 1puz h MET 75 Cb 0.58 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.26 1puz h MET 75 CO 0.02 0.00 -0.88 -0.07 1.06 0.00 0.00 176.91 177.04 1puz h LEU 76 N 0.00 0.83 0.14 1.22 3.38 0.27 -0.41 115.31 120.74 1puz h LEU 76 Ca 0.04 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1puz h LEU 76 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1puz h LEU 76 CO -0.00 1.43 -0.07 -0.33 0.09 0.00 0.00 178.44 179.57 1puz h GLU 77 N 0.30 -0.18 0.74 1.13 4.39 -0.20 1.23 114.58 121.99 1puz h GLU 77 Ca -0.10 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1puz h GLU 77 Cb 1.54 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.24 1puz h GLU 77 CO 0.18 -0.06 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.39 1puz h LYS 78 N -0.26 -0.95 -0.34 2.33 3.64 -1.50 -1.75 116.57 117.73 1puz h LYS 78 Ca -0.02 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 1puz h LYS 78 Cb 0.20 0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 1puz h LYS 78 CO 0.03 -0.61 -0.13 0.82 -2.27 0.00 0.00 179.45 177.29 1puz h ILE 79 N -1.15 0.56 -0.75 2.00 2.04 -1.07 -0.69 117.51 118.46 1puz h ILE 79 Ca -0.10 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.93 1puz h ILE 79 Cb 0.78 0.56 -0.13 0.00 -0.74 0.00 0.00 36.82 37.29 1puz h ILE 79 CO 0.17 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.20 1puz h ARG 80 N -0.07 0.08 -0.34 2.37 1.12 0.16 -0.30 114.38 117.41 1puz h ARG 80 Ca 0.17 -0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.09 1puz h ARG 80 Cb 0.33 -0.02 -0.08 0.00 -0.01 0.00 0.00 29.97 30.19 1puz h ARG 80 CO -0.39 0.05 -0.47 -0.09 -3.11 0.00 0.00 179.97 175.97 1puz h ARG 81 N 0.08 -0.38 0.00 0.20 2.43 -0.19 -3.51 114.38 113.02 1puz h ARG 81 Ca 0.40 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1puz h ARG 81 Cb 0.70 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1puz h ARG 81 CO -0.68 -0.25 0.00 0.00 -1.51 0.00 0.00 179.97 177.53