#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 0.67 -4.05 0.03 0.00 -1.26 -5.14 117.12 107.37 1puz n MET 2 Ca 0.00 -1.46 -0.11 0.00 -0.00 0.00 0.00 57.70 56.12 1puz n MET 2 Cb 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 33.22 32.29 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 0.28 0.40 0.22 1.12 1.01 -1.26 -4.75 120.40 117.43 1puz s VAL 3 Ca 0.24 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1puz s VAL 3 Cb 0.27 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1puz s VAL 3 CO -0.13 -0.48 0.33 0.72 0.00 0.00 0.00 175.10 175.54 1puz s PHE 4 N -1.68 0.66 0.28 5.22 -0.71 -1.26 -5.06 117.98 115.43 1puz s PHE 4 Ca -0.10 -0.97 -0.02 0.00 -1.04 0.00 0.00 56.93 54.81 1puz s PHE 4 Cb -0.08 -0.11 0.01 0.00 -1.21 0.00 0.00 43.02 41.62 1puz s PHE 4 CO -0.01 -0.83 0.39 -0.25 -1.34 0.00 0.00 175.22 173.18 1puz n ASP 5 N -0.32 -1.09 -0.30 1.98 8.00 -1.26 -4.97 116.55 118.59 1puz n ASP 5 Ca -0.01 -2.48 0.08 0.00 0.71 0.00 0.00 54.79 53.08 1puz n ASP 5 Cb 0.63 2.02 0.18 0.00 -0.02 0.00 0.00 41.12 43.94 1puz n ASP 5 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1puz h ASP 6 N 1.55 -0.54 -0.45 -2.24 3.04 -2.02 0.76 116.42 116.51 1puz h ASP 6 Ca -0.21 0.24 0.09 0.00 -3.24 0.00 0.00 57.03 53.91 1puz h ASP 6 Cb 0.93 0.45 -0.09 0.00 -1.04 0.00 0.00 39.33 39.59 1puz h ASP 6 CO 0.29 -0.27 -0.14 0.40 -2.04 0.00 0.00 179.24 177.48 1puz h ILE 7 N 0.04 0.49 -0.31 4.15 1.08 -2.00 0.07 117.51 121.03 1puz h ILE 7 Ca 0.47 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 65.00 1puz h ILE 7 Cb 0.85 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 1puz h ILE 7 CO -0.82 0.00 -0.05 0.00 -0.69 0.00 0.00 178.15 176.59 1puz h ALA 8 N 1.36 0.23 -0.54 1.87 0.00 0.09 -2.08 119.26 120.20 1puz h ALA 8 Ca 0.22 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1puz h ALA 8 Cb 0.37 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1puz h ALA 8 CO -0.48 -0.44 -0.53 -0.22 0.00 0.00 0.00 179.25 177.58 1puz h LYS 9 N 0.03 -0.28 -1.02 0.00 3.11 0.50 0.63 116.57 119.54 1puz h LYS 9 Ca 0.15 0.02 0.27 0.00 -2.81 0.00 0.00 60.65 58.28 1puz h LYS 9 Cb 0.22 0.06 -0.13 0.00 -1.00 0.00 0.00 32.23 31.39 1puz h LYS 9 CO -0.30 -0.19 0.61 0.00 -2.81 0.00 0.00 179.45 176.76 1puz h ARG 10 N -0.29 0.49 -0.15 1.90 3.08 -0.67 0.18 114.38 118.92 1puz h ARG 10 Ca 0.12 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1puz h ARG 10 Cb 0.56 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1puz h ARG 10 CO -0.67 0.32 -0.24 -0.22 -1.07 0.00 0.00 179.97 178.09 1puz h LYS 11 N 0.50 -0.29 -0.98 0.04 3.64 0.84 1.49 116.57 121.82 1puz h LYS 11 Ca 0.66 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 60.25 1puz h LYS 11 Cb 1.37 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 33.08 1puz h LYS 11 CO -0.48 -0.19 -0.27 0.97 -2.27 0.00 0.00 179.45 177.21 1puz h ILE 12 N -0.30 0.02 0.14 2.00 -0.00 -0.02 1.52 117.51 120.87 1puz h ILE 12 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.96 1puz h ILE 12 Cb 0.46 0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.30 1puz h ILE 12 CO -0.32 0.00 -0.07 -0.09 -0.00 0.00 0.00 178.15 177.67 1puz h ARG 13 N -0.00 -0.18 -0.30 2.19 2.43 -1.14 -2.75 114.38 114.64 1puz h ARG 13 Ca 0.45 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.71 1puz h ARG 13 Cb 0.69 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1puz h ARG 13 CO -1.00 0.23 0.63 0.35 -1.51 0.00 0.00 179.97 178.67 1puz h PHE 14 N -0.93 0.00 0.00 2.20 3.57 0.35 0.20 116.94 122.33 1puz h PHE 14 Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1puz h PHE 14 Cb 0.49 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1puz h PHE 14 CO 0.09 0.00 -0.05 1.96 -2.23 0.00 0.00 178.31 178.08 1puz h GLN 15 N 0.00 0.00 -0.13 1.11 1.08 0.21 -3.38 115.11 114.00 1puz h GLN 15 Ca 0.14 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1puz h GLN 15 Cb 1.40 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.80 1puz h GLN 15 CO -0.00 0.35 -0.15 1.79 -0.95 0.00 0.00 178.83 179.87 1puz h THR 16 N -1.00 0.00 -3.79 -0.54 1.35 -0.66 -3.47 112.91 104.79 1puz h THR 16 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1puz h THR 16 Cb 0.38 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1puz h THR 16 CO -0.01 0.00 -0.92 0.54 -0.25 0.00 0.00 175.52 174.88 1puz n ARG 17 N -3.43 -4.70 -0.85 4.72 1.74 -0.91 -4.38 116.66 108.84 1puz n ARG 17 Ca -0.01 3.49 -0.20 0.00 -0.77 0.00 0.00 57.85 60.36 1puz n ARG 17 Cb 0.09 -3.91 -0.06 0.00 -1.02 0.00 0.00 32.46 27.56 1puz n ARG 17 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1puz n ARG 18 N -0.65 2.17 0.22 5.56 0.00 -1.26 -4.43 116.66 118.27 1puz n ARG 18 Ca 0.00 -1.33 0.08 0.00 -0.00 0.00 0.00 57.85 56.61 1puz n ARG 18 Cb 0.00 -2.29 0.51 0.00 -0.00 0.00 0.00 32.46 30.67 1puz n ARG 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1puz h GLY 19 N 6.86 0.00 -6.13 2.89 0.00 -1.96 -3.42 103.07 101.31 1puz h GLY 19 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.40 1puz h GLY 19 CO 1.08 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 177.94 1puz s LEU 20 N -7.40 1.40 0.00 3.11 1.02 -1.26 -4.90 118.68 110.64 1puz s LEU 20 Ca -0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.05 1puz s LEU 20 Cb 0.13 -0.32 0.00 0.00 0.02 0.00 0.00 46.19 46.01 1puz s LEU 20 CO 0.65 -0.05 0.39 -0.11 0.02 0.00 0.00 176.35 177.26 1puz n LEU 21 N 3.87 0.00 -0.33 1.79 7.94 -1.26 0.22 117.00 129.23 1puz n LEU 21 Ca -0.24 0.39 0.02 0.00 -1.11 0.00 0.00 56.01 55.07 1puz n LEU 21 Cb 0.52 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.54 1puz n LEU 21 CO 0.24 0.00 0.54 1.21 -1.11 0.00 0.00 177.39 178.27 1puz n GLU 22 N -0.84 -0.15 0.04 1.96 4.07 -1.26 0.77 120.64 125.23 1puz n GLU 22 Ca 0.00 1.36 -0.13 0.00 -0.06 0.00 0.00 57.16 58.33 1puz n GLU 22 Cb 0.00 -2.03 -0.06 0.00 -0.06 0.00 0.00 31.44 29.29 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 -1.26 -0.92 4.31 7.12 -1.29 1.47 115.31 124.74 1puz h LEU 23 Ca 0.35 0.16 0.24 0.00 0.13 0.00 0.00 57.88 58.77 1puz h LEU 23 Cb 0.57 0.50 -0.13 0.00 -0.53 0.00 0.00 40.66 41.07 1puz h LEU 23 CO -0.89 -0.44 0.39 -0.78 -0.13 0.00 0.00 178.44 176.60 1puz h ASP 24 N -0.54 0.29 0.19 1.25 3.58 0.88 0.26 116.42 122.33 1puz h ASP 24 Ca 0.06 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1puz h ASP 24 Cb 0.64 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.85 1puz h ASP 24 CO -0.34 -0.06 -0.09 -0.07 -2.88 0.00 0.00 179.24 175.79 1puz h LEU 25 N 0.34 -0.21 -0.49 2.28 3.38 0.10 -3.10 115.31 117.62 1puz h LEU 25 Ca 0.59 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 58.30 1puz h LEU 25 Cb 1.20 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 1puz h LEU 25 CO -0.57 0.26 -0.43 0.40 0.09 0.00 0.00 178.44 178.18 1puz h ILE 26 N -0.76 0.00 -0.56 1.22 2.04 0.41 1.50 117.51 121.36 1puz h ILE 26 Ca -0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.00 1puz h ILE 26 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1puz h ILE 26 CO 0.04 0.00 0.80 -0.26 0.00 0.00 0.00 178.15 178.74 1puz h PHE 27 N -0.18 0.00 0.62 1.37 0.04 -0.67 0.71 116.94 118.83 1puz h PHE 27 Ca 0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 1puz h PHE 27 Cb 0.39 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.55 1puz h PHE 27 CO -0.82 0.00 -0.30 0.78 -0.60 0.00 0.00 178.31 177.37 1puz h GLY 28 N 0.00 -0.86 1.60 -1.45 0.00 0.22 0.14 103.07 102.71 1puz h GLY 28 Ca 0.27 0.32 -0.23 0.00 0.00 0.00 0.00 47.33 47.68 1puz h GLY 28 CO -0.00 -0.31 -1.25 0.07 0.00 0.00 0.00 176.54 175.04 1puz h ARG 29 N -0.91 0.00 -0.65 4.80 0.11 -0.66 -3.12 114.38 113.95 1puz h ARG 29 Ca -0.08 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.95 1puz h ARG 29 Cb 0.66 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.71 1puz h ARG 29 CO 0.14 0.77 0.21 0.35 0.10 0.00 0.00 179.97 181.55 1puz h PHE 30 N 0.00 1.04 0.35 4.08 3.04 0.28 -2.69 116.94 123.04 1puz h PHE 30 Ca -0.11 -0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.72 1puz h PHE 30 Cb 1.84 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 40.05 1puz h PHE 30 CO 0.00 0.84 -0.17 0.52 -2.02 0.00 0.00 178.31 177.48 1puz h MET 31 N 0.94 -0.45 -0.67 1.11 2.86 -0.82 0.77 114.93 118.66 1puz h MET 31 Ca 0.21 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 58.08 1puz h MET 31 Cb 0.28 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 1puz h MET 31 CO -0.01 -0.13 0.83 1.49 1.06 0.00 0.00 176.91 180.15 1puz h GLU 32 N -0.90 0.00 0.00 1.72 4.81 -1.54 0.67 114.58 119.34 1puz h GLU 32 Ca -0.05 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1puz h GLU 32 Cb 0.53 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1puz h GLU 32 CO 0.08 0.00 -0.87 1.63 -0.73 0.00 0.00 179.01 179.12 1puz n LYS 33 N -3.39 0.50 0.00 1.92 4.01 -1.02 -4.08 118.16 116.09 1puz n LYS 33 Ca 0.14 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.33 1puz n LYS 33 Cb 1.06 -1.58 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 1puz n LYS 33 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1puz n GLU 34 N -4.52 0.00 0.02 1.97 4.71 0.27 -3.65 120.64 119.43 1puz n GLU 34 Ca -0.14 0.21 0.17 0.00 -0.01 0.00 0.00 57.16 57.39 1puz n GLU 34 Cb 0.43 -0.83 0.34 0.00 -1.01 0.00 0.00 31.44 30.37 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 0.00 -0.32 3.04 -0.04 -2.57 116.94 117.04 1puz h PHE 35 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1puz h PHE 35 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1puz h PHE 35 CO 0.02 0.00 0.00 -1.91 -2.02 0.00 0.00 178.31 174.40 1puz n GLU 36 N -3.01 0.00 -2.96 1.11 4.07 0.14 -3.71 120.64 116.29 1puz n GLU 36 Ca 0.13 0.62 -0.14 0.00 -0.06 0.00 0.00 57.16 57.72 1puz n GLU 36 Cb 1.22 -0.96 0.02 0.00 -0.06 0.00 0.00 31.44 31.66 1puz n GLU 36 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1puz n HIS 37 N -2.43 -0.34 -1.70 4.31 -0.00 -0.98 -5.07 115.22 109.01 1puz n HIS 37 Ca 0.00 -3.16 -0.44 0.00 0.46 0.00 0.00 57.72 54.59 1puz n HIS 37 Cb 0.00 0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.15 3.53 -4.73 0.27 4.77 -1.16 -4.96 117.00 114.88 1puz n LEU 38 Ca 0.16 1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 57.00 1puz n LEU 38 Cb 0.72 -1.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.48 1puz n LEU 38 CO 0.17 -0.27 0.68 -0.44 -1.33 0.00 0.00 177.39 176.19 1puz s SER 39 N 0.35 3.06 0.01 -1.43 0.01 -1.26 -4.76 113.70 109.68 1puz s SER 39 Ca 0.67 1.09 -0.25 0.00 1.31 0.00 0.00 55.95 58.77 1puz s SER 39 Cb -0.60 -1.72 -0.17 0.00 0.21 0.00 0.00 66.02 63.74 1puz s SER 39 CO 0.49 -2.85 1.29 -0.78 0.41 0.00 0.00 173.24 171.81 1puz h ASP 40 N -1.70 -0.24 -0.67 2.44 1.82 -1.94 0.55 116.42 116.69 1puz h ASP 40 Ca -0.53 -0.23 -0.07 0.00 -0.39 0.00 0.00 57.03 55.82 1puz h ASP 40 Cb 1.33 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 41.37 1puz h ASP 40 CO 0.60 0.12 0.15 0.50 -1.61 0.00 0.00 179.24 179.00 1puz h LYS 41 N -0.62 1.09 -0.62 0.28 3.64 -1.94 -2.35 116.57 116.05 1puz h LYS 41 Ca -0.03 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.02 1puz h LYS 41 Cb 0.45 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1puz h LYS 41 CO 0.05 0.97 0.12 0.93 -2.27 0.00 0.00 179.45 179.25 1puz h GLU 42 N 1.04 1.01 -0.56 1.90 5.08 -1.91 -2.73 114.58 118.41 1puz h GLU 42 Ca 0.21 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1puz h GLU 42 Cb 0.38 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1puz h GLU 42 CO 0.00 0.93 0.26 -0.07 -1.00 0.00 0.00 179.01 179.13 1puz h LEU 43 N 0.92 0.33 -0.73 1.33 3.38 0.50 -1.00 115.31 120.05 1puz h LEU 43 Ca 0.19 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.36 1puz h LEU 43 Cb 0.40 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 1puz h LEU 43 CO 0.01 0.22 0.21 -1.28 0.09 0.00 0.00 178.44 177.68 1puz h SER 44 N 0.48 0.08 0.77 -0.43 0.87 -1.12 -0.09 113.55 114.12 1puz h SER 44 Ca 0.26 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.92 1puz h SER 44 Cb 0.23 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1puz h SER 44 CO -0.21 0.00 -0.45 -0.33 -0.53 0.00 0.00 176.83 175.30 1puz h GLU 45 N 0.31 -1.10 -0.88 2.24 4.39 -1.10 -2.64 114.58 115.80 1puz h GLU 45 Ca 0.41 0.08 0.24 0.00 0.34 0.00 0.00 59.36 60.42 1puz h GLU 45 Cb 0.68 0.25 -0.14 0.00 -0.10 0.00 0.00 28.75 29.43 1puz h GLU 45 CO -0.47 -0.73 0.23 0.74 -1.16 0.00 0.00 179.01 177.61 1puz h PHE 46 N -1.14 0.33 -0.62 4.33 0.04 -0.76 1.41 116.94 120.53 1puz h PHE 46 Ca -0.10 0.05 0.14 0.00 2.80 0.00 0.00 57.97 60.86 1puz h PHE 46 Cb 0.91 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 1puz h PHE 46 CO -0.07 -0.23 0.43 0.77 -0.60 0.00 0.00 178.31 178.61 1puz h SER 47 N 0.19 0.19 0.15 2.17 0.02 -0.71 2.29 113.55 117.85 1puz h SER 47 Ca 0.55 0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 61.23 1puz h SER 47 Cb 1.12 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 63.66 1puz h SER 47 CO -0.67 0.10 -1.19 -0.33 -1.14 0.00 0.00 176.83 173.61 1puz h GLU 48 N 0.21 0.60 0.04 3.45 4.39 0.22 -3.11 114.58 120.37 1puz h GLU 48 Ca 0.30 -0.77 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 1puz h GLU 48 Cb 0.89 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1puz h GLU 48 CO -0.05 1.34 -0.02 0.82 -1.16 0.00 0.00 179.01 179.94 1puz h ILE 49 N 0.28 1.36 -0.74 3.13 2.04 0.42 -3.09 117.51 120.91 1puz h ILE 49 Ca -0.17 -1.63 0.22 0.00 1.00 0.00 0.00 64.86 64.28 1puz h ILE 49 Cb 1.85 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 40.30 1puz h ILE 49 CO 0.22 0.39 0.82 -0.07 0.00 0.00 0.00 178.15 179.52 1puz h LEU 50 N -0.81 0.00 -1.00 1.44 3.38 0.36 -0.06 115.31 118.62 1puz h LEU 50 Ca -0.01 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.35 1puz h LEU 50 Cb 0.68 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.29 1puz h LEU 50 CO 0.01 0.00 0.59 -0.62 0.09 0.00 0.00 178.44 178.51 1puz n GLU 51 N -3.52 -0.04 -2.99 1.13 -0.58 -1.17 -4.23 120.64 109.24 1puz n GLU 51 Ca 0.16 1.15 -0.32 0.00 -0.42 0.00 0.00 57.16 57.72 1puz n GLU 51 Cb 1.07 -2.14 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 -5.20 3.38 0.83 -0.32 0.08 -0.04 -5.08 117.98 111.64 1puz s PHE 52 Ca -0.07 1.29 -0.08 0.00 0.12 0.00 0.00 56.93 58.18 1puz s PHE 52 Cb 0.28 -2.60 0.15 0.00 -0.57 0.00 0.00 43.02 40.29 1puz s PHE 52 CO 0.69 -0.00 1.15 -0.65 -0.10 0.00 0.00 175.22 176.30 1puz s GLN 53 N -3.21 1.26 0.14 0.44 -0.21 -1.26 -4.65 119.66 112.16 1puz s GLN 53 Ca 0.56 -0.70 -0.27 0.00 0.02 0.00 0.00 55.36 54.96 1puz s GLN 53 Cb -0.10 -2.09 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 1puz s GLN 53 CO 0.19 -1.87 1.59 -0.44 -2.12 0.00 0.00 175.29 172.65 1puz h ASP 54 N -1.05 -1.16 -0.35 5.90 5.19 -1.86 1.69 116.42 124.78 1puz h ASP 54 Ca -0.41 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.21 1puz h ASP 54 Cb 1.26 0.49 -0.07 0.00 0.18 0.00 0.00 39.33 41.18 1puz h ASP 54 CO 0.41 -0.39 -0.51 -0.61 -3.12 0.00 0.00 179.24 175.03 1puz h GLN 55 N -0.43 -0.36 0.06 3.56 4.15 -1.94 1.07 115.11 121.22 1puz h GLN 55 Ca 0.10 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1puz h GLN 55 Cb 0.59 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1puz h GLN 55 CO -0.40 -0.24 -0.07 0.93 -1.93 0.00 0.00 178.83 177.12 1puz h GLU 56 N -0.38 -0.14 -0.09 1.69 4.39 -1.77 -0.15 114.58 118.12 1puz h GLU 56 Ca 0.06 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1puz h GLU 56 Cb 0.55 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.18 1puz h GLU 56 CO -0.53 -0.09 -0.44 1.25 -1.16 0.00 0.00 179.01 178.04 1puz h LEU 57 N -0.15 -1.40 -0.22 1.33 5.85 0.34 1.57 115.31 122.64 1puz h LEU 57 Ca 0.01 0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1puz h LEU 57 Cb 0.15 0.54 -0.07 0.00 0.37 0.00 0.00 40.66 41.65 1puz h LEU 57 CO -0.03 -0.40 -0.54 0.25 -0.34 0.00 0.00 178.44 177.38 1puz h LEU 58 N -0.49 -1.75 -0.60 2.25 5.85 0.13 0.27 115.31 120.97 1puz h LEU 58 Ca 0.02 0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1puz h LEU 58 Cb 0.56 0.69 -0.10 0.00 0.37 0.00 0.00 40.66 42.18 1puz h LEU 58 CO -0.35 -0.45 -0.01 0.00 -0.34 0.00 0.00 178.44 177.29 1puz h ALA 59 N -0.24 0.56 0.02 1.25 0.00 -0.40 0.38 119.26 120.85 1puz h ALA 59 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1puz h ALA 59 Cb 0.64 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1puz h ALA 59 CO -0.48 -0.40 -0.38 -0.07 0.00 0.00 0.00 179.25 177.92 1puz h LEU 60 N 0.11 -1.16 -0.60 0.00 3.38 0.44 2.02 115.31 119.50 1puz h LEU 60 Ca 0.31 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.53 1puz h LEU 60 Cb 0.49 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 1puz h LEU 60 CO -0.52 -0.38 0.02 0.40 0.09 0.00 0.00 178.44 178.06 1puz h ILE 61 N -0.49 0.53 -0.68 1.22 2.04 0.35 0.54 117.51 121.02 1puz h ILE 61 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1puz h ILE 61 Cb 0.52 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1puz h ILE 61 CO -0.24 0.03 0.45 0.78 0.00 0.00 0.00 178.15 179.17 1puz h ASN 62 N 0.14 0.67 0.00 1.72 -0.26 0.86 -3.45 115.58 115.26 1puz h ASN 62 Ca 0.31 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.05 1puz h ASN 62 Cb 0.49 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1puz h ASN 62 CO -0.49 0.46 0.00 0.61 -1.06 0.00 0.00 177.43 176.94 1puz n GLY 63 N -1.45 1.89 0.00 2.83 0.00 0.47 -5.07 105.19 103.87 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 -0.32 0.00 -1.34 1.61 -0.00 0.57 -4.94 115.22 110.81 1puz n HIS 64 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1puz n HIS 64 Cb 0.00 -0.09 0.09 0.00 -0.00 0.00 0.00 29.99 29.99 1puz n HIS 64 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1puz s SER 65 N -1.58 4.63 0.41 0.41 1.04 -1.25 -4.88 113.70 112.48 1puz s SER 65 Ca 0.00 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.24 1puz s SER 65 Cb 0.00 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.60 1puz s SER 65 CO 0.00 -1.94 0.22 -1.61 0.98 0.00 0.00 173.24 170.88 1puz s GLU 66 N -4.95 2.28 -0.18 4.02 2.02 -1.26 -4.45 118.70 116.19 1puz s GLU 66 Ca 0.61 -1.78 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 1puz s GLU 66 Cb -0.16 -2.06 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 1puz s GLU 66 CO 0.56 -0.13 -0.12 -0.08 0.02 0.00 0.00 175.26 175.51 1puz s THR 67 N -2.57 2.86 -0.28 3.63 -1.32 -1.26 -4.99 115.64 111.71 1puz s THR 67 Ca 0.42 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1puz s THR 67 Cb 0.03 -2.24 0.25 0.00 -1.51 0.00 0.00 72.50 69.03 1puz s THR 67 CO 0.24 0.49 1.81 0.47 -2.21 0.00 0.00 174.62 175.42 1puz n ASP 68 N 4.30 5.37 -3.64 8.08 9.92 -1.26 -4.74 116.55 134.58 1puz n ASP 68 Ca -0.19 -2.97 -0.05 0.00 -0.53 0.00 0.00 54.79 51.05 1puz n ASP 68 Cb 0.51 -0.92 -0.06 0.00 -0.64 0.00 0.00 41.12 40.01 1puz n ASP 68 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1puz s LYS 69 N -1.75 0.66 0.00 -1.24 2.47 -1.26 -5.01 119.74 113.61 1puz s LYS 69 Ca 0.30 1.30 0.26 0.00 -1.56 0.00 0.00 55.97 56.27 1puz s LYS 69 Cb 0.24 0.38 1.28 0.00 -1.46 0.00 0.00 37.83 38.27 1puz s LYS 69 CO 0.02 -0.17 1.89 0.41 0.16 0.00 0.00 175.35 177.66 1puz n GLY 70 N 4.70 -1.23 0.09 5.54 0.00 -1.26 -2.55 105.19 110.48 1puz n GLY 70 Ca -0.17 -0.12 0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.35 0.00 -0.09 1.61 8.25 -1.26 -3.29 115.22 119.09 1puz n HIS 71 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 1puz n HIS 71 Cb 0.24 -0.13 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.93 1.05 -0.33 2.41 4.77 -1.06 -3.98 117.00 118.94 1puz n LEU 72 Ca 0.18 -0.04 0.07 0.00 -0.03 0.00 0.00 56.01 56.19 1puz n LEU 72 Cb 0.22 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.48 1puz n LEU 72 CO 0.21 0.55 0.72 0.40 -1.33 0.00 0.00 177.39 177.93 1puz h ILE 73 N 0.00 0.08 -0.05 -0.08 2.04 -1.62 2.48 117.51 120.37 1puz h ILE 73 Ca -0.44 -0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.18 1puz h ILE 73 Cb 1.88 0.07 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1puz h ILE 73 CO -0.01 0.00 -0.92 1.55 0.00 0.00 0.00 178.15 178.77 1puz h PRO 74 N 0.01 0.62 0.00 2.37 0.13 -1.79 -2.96 132.00 130.39 1puz h PRO 74 Ca 0.48 -0.61 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1puz h PRO 74 Cb 0.80 0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1puz h PRO 74 CO -0.92 1.22 -0.03 0.52 -0.23 0.00 0.00 178.00 178.55 1puz h MET 75 N 0.38 0.00 0.01 0.86 2.86 -0.18 -2.80 114.93 116.06 1puz h MET 75 Ca -0.09 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1puz h MET 75 Cb 1.55 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.22 1puz h MET 75 CO 0.17 0.03 -0.30 -0.07 1.06 0.00 0.00 176.91 177.81 1puz h LEU 76 N 0.00 0.25 -0.43 1.22 3.38 0.40 -0.97 115.31 119.17 1puz h LEU 76 Ca -0.00 -0.81 0.08 0.00 0.09 0.00 0.00 57.88 57.24 1puz h LEU 76 Cb 0.44 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1puz h LEU 76 CO 0.00 1.03 -0.02 -0.33 0.09 0.00 0.00 178.44 179.21 1puz h GLU 77 N -0.50 0.08 0.62 1.13 4.39 -1.34 2.82 114.58 121.78 1puz h GLU 77 Ca -0.04 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1puz h GLU 77 Cb 1.08 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1puz h GLU 77 CO 0.06 0.05 -0.30 1.57 -1.16 0.00 0.00 179.01 179.23 1puz h LYS 78 N 0.08 -0.80 0.09 2.33 5.09 -1.59 -1.99 116.57 119.78 1puz h LYS 78 Ca 0.21 0.05 -0.00 0.00 0.09 0.00 0.00 60.65 61.00 1puz h LYS 78 Cb 0.31 0.18 -0.00 0.00 0.10 0.00 0.00 32.23 32.82 1puz h LYS 78 CO -0.37 -0.50 -0.07 0.82 -2.09 0.00 0.00 179.45 177.24 1puz h ILE 79 N -1.14 0.00 -1.74 0.07 2.04 -0.87 -1.60 117.51 114.27 1puz h ILE 79 Ca -0.09 0.00 0.51 0.00 1.00 0.00 0.00 64.86 66.29 1puz h ILE 79 Cb 0.67 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.68 1puz h ILE 79 CO 0.14 0.00 1.24 -2.11 0.00 0.00 0.00 178.15 177.42 1puz n ARG 80 N -2.64 -0.00 0.33 2.37 -4.01 0.94 0.63 116.66 114.28 1puz n ARG 80 Ca -0.02 1.00 -0.18 0.00 -1.04 0.00 0.00 57.85 57.61 1puz n ARG 80 Cb 0.07 -2.27 -0.09 0.00 -3.04 0.00 0.00 32.46 27.12 1puz n ARG 80 CO 0.00 0.00 0.00 -0.09 -3.04 0.00 0.00 177.63 174.50 1puz h ARG 81 N 0.00 -1.00 0.00 2.89 2.43 -0.48 -3.50 114.38 114.72 1puz h ARG 81 Ca 0.85 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 60.09 1puz h ARG 81 Cb 3.35 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 33.12 1puz h ARG 81 CO -0.06 -0.66 0.00 0.00 -1.51 0.00 0.00 179.97 177.74