#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pou h LEU 6 N 0.00 0.76 0.47 -2.67 4.07 -2.00 -0.50 115.31 115.44 1pou h LEU 6 Ca 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1pou h LEU 6 Cb 0.00 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1pou h LEU 6 CO 0.00 0.35 -0.37 -0.08 -1.08 0.00 0.00 178.44 177.26 1pou h GLU 7 N 0.81 -0.80 -0.68 1.13 4.22 -2.05 0.16 114.58 117.37 1pou h GLU 7 Ca 0.50 0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.95 1pou h GLU 7 Cb 0.64 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1pou h GLU 7 CO -0.32 -0.53 0.22 1.05 -2.18 0.00 0.00 179.01 177.24 1pou h GLU 8 N -0.83 1.05 -0.56 1.92 4.11 -1.86 0.08 114.58 118.49 1pou h GLU 8 Ca -0.05 -0.21 0.03 0.00 0.07 0.00 0.00 59.36 59.20 1pou h GLU 8 Cb 0.71 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 1pou h GLU 8 CO -0.00 0.89 0.33 -0.07 0.07 0.00 0.00 179.01 180.23 1pou h LEU 9 N 1.01 0.54 0.19 3.06 3.38 -0.89 0.21 115.31 122.81 1pou h LEU 9 Ca 0.22 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1pou h LEU 9 Cb 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1pou h LEU 9 CO -0.01 0.37 -0.09 -0.08 0.09 0.00 0.00 178.44 178.72 1pou h GLU 10 N 0.66 -0.25 0.01 1.13 4.57 0.00 0.17 114.58 120.87 1pou h GLU 10 Ca 0.23 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1pou h GLU 10 Cb 0.04 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1pou h GLU 10 CO -0.11 -0.05 -0.24 1.96 -1.18 0.00 0.00 179.01 179.39 1pou h GLN 11 N -0.40 -0.37 -0.45 1.92 1.08 -0.85 -0.04 115.11 116.00 1pou h GLN 11 Ca -0.03 0.03 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1pou h GLN 11 Cb 0.31 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 1pou h GLN 11 CO 0.04 -0.25 -0.04 0.35 -0.95 0.00 0.00 178.83 177.99 1pou h PHE 12 N -0.39 -0.10 0.10 2.96 3.04 -0.50 0.20 116.94 122.27 1pou h PHE 12 Ca 0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1pou h PHE 12 Cb 0.46 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.07 1pou h PHE 12 CO -0.28 -0.13 -0.11 0.00 -2.02 0.00 0.00 178.31 175.78 1pou h ALA 13 N 1.42 -0.21 -0.51 2.41 0.00 0.02 0.50 119.26 122.89 1pou h ALA 13 Ca 0.22 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1pou h ALA 13 Cb 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1pou h ALA 13 CO -0.40 -0.63 0.26 0.87 0.00 0.00 0.00 179.25 179.34 1pou h LYS 14 N -0.24 0.48 -0.14 0.00 1.57 -0.71 -1.21 116.57 116.32 1pou h LYS 14 Ca 0.01 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1pou h LYS 14 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1pou h LYS 14 CO -0.03 0.32 0.04 1.15 -0.57 0.00 0.00 179.45 180.36 1pou h THR 15 N 0.50 1.07 0.00 -0.16 2.02 0.02 0.57 112.91 116.93 1pou h THR 15 Ca 0.22 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1pou h THR 15 Cb 0.13 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1pou h THR 15 CO -0.16 0.08 -0.10 0.15 0.37 0.00 0.00 175.52 175.87 1pou h PHE 16 N 0.20 0.00 0.04 3.16 3.57 0.12 0.20 116.94 124.23 1pou h PHE 16 Ca 0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1pou h PHE 16 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1pou h PHE 16 CO 0.00 0.10 -0.02 -0.22 -2.23 0.00 0.00 178.31 175.94 1pou h LYS 17 N 0.00 -0.05 -0.93 1.11 1.63 -0.64 0.82 116.57 118.51 1pou h LYS 17 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 1pou h LYS 17 Cb 0.19 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.78 1pou h LYS 17 CO 0.01 0.22 0.60 1.96 -3.45 0.00 0.00 179.45 178.80 1pou h GLN 18 N -0.33 1.13 -0.36 1.90 1.08 -1.04 0.06 115.11 117.56 1pou h GLN 18 Ca -0.01 -0.07 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 1pou h GLN 18 Cb 0.30 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1pou h GLN 18 CO 0.01 0.75 -0.08 0.00 -0.95 0.00 0.00 178.83 178.56 1pou h ARG 19 N 1.16 0.68 -0.27 1.46 3.08 -0.62 0.97 114.38 120.84 1pou h ARG 19 Ca 0.37 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 60.23 1pou h ARG 19 Cb 0.01 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.94 1pou h ARG 19 CO -0.12 0.84 -0.36 0.00 -1.07 0.00 0.00 179.97 179.25 1pou h ARG 20 N 0.48 -0.34 -0.21 0.04 3.08 -0.22 0.72 114.38 117.93 1pou h ARG 20 Ca 0.09 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1pou h ARG 20 Cb 0.58 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 1pou h ARG 20 CO 0.03 -0.23 -0.10 0.82 -1.07 0.00 0.00 179.97 179.43 1pou h ILE 21 N -0.35 0.68 -0.67 2.04 1.08 -0.74 0.14 117.51 119.70 1pou h ILE 21 Ca 0.13 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.69 1pou h ILE 21 Cb 0.57 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 34.93 1pou h ILE 21 CO -0.47 0.00 0.31 0.50 -0.69 0.00 0.00 178.15 177.80 1pou h LYS 22 N -0.08 0.52 0.00 2.37 1.63 -0.28 0.11 116.57 120.84 1pou h LYS 22 Ca 0.11 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1pou h LYS 22 Cb 0.25 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1pou h LYS 22 CO -0.26 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.37 1pou n LEU 23 N -4.90 0.00 -1.52 5.20 4.77 0.20 -4.88 117.00 115.87 1pou n LEU 23 Ca 0.10 0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 56.40 1pou n LEU 23 Cb 0.27 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1pou n LEU 23 CO 0.24 -0.18 -0.17 0.61 -1.33 0.00 0.00 177.39 176.56 1pou n GLY 24 N 0.29 -0.08 3.97 -0.72 0.00 0.37 -5.03 105.19 104.00 1pou n GLY 24 Ca 0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1pou n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pou s PHE 25 N -2.67 3.08 0.31 1.61 0.40 0.41 -5.00 117.98 116.13 1pou s PHE 25 Ca 0.00 -0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.29 1pou s PHE 25 Cb 0.00 -2.29 -0.01 0.00 0.51 0.00 0.00 43.02 41.23 1pou s PHE 25 CO 0.00 -0.34 0.41 -0.08 0.70 0.00 0.00 175.22 175.91 1pou s THR 26 N -2.44 0.00 0.11 0.64 -1.32 -1.26 -4.15 115.64 107.21 1pou s THR 26 Ca 0.49 -1.68 -0.22 0.00 -1.21 0.00 0.00 61.69 59.07 1pou s THR 26 Cb -0.10 -2.55 -0.08 0.00 -1.51 0.00 0.00 72.50 68.26 1pou s THR 26 CO 0.35 0.00 1.71 1.56 -2.21 0.00 0.00 174.62 176.03 1pou h GLN 27 N 2.19 -0.08 -0.51 7.08 7.50 -1.99 0.90 115.11 130.20 1pou h GLN 27 Ca -0.28 0.01 0.04 0.00 0.50 0.00 0.00 58.65 58.92 1pou h GLN 27 Cb 1.24 0.02 -0.04 0.00 0.05 0.00 0.00 27.48 28.75 1pou h GLN 27 CO 0.40 -0.05 0.26 0.78 -1.50 0.00 0.00 178.83 178.71 1pou h GLY 28 N -0.09 0.71 0.91 3.46 0.00 -1.95 0.14 103.07 106.27 1pou h GLY 28 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1pou h GLY 28 CO -0.11 0.11 0.06 -1.80 0.00 0.00 0.00 176.54 174.80 1pou h ASP 29 N 0.50 0.55 -0.32 0.19 3.58 -1.75 0.72 116.42 119.90 1pou h ASP 29 Ca 0.22 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.46 1pou h ASP 29 Cb 0.13 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 1pou h ASP 29 CO -0.16 0.67 0.06 0.58 -2.88 0.00 0.00 179.24 177.51 1pou h VAL 30 N 0.42 0.84 -0.51 2.25 2.07 -0.61 0.36 116.25 121.06 1pou h VAL 30 Ca 0.11 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.66 1pou h VAL 30 Cb 0.35 0.65 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1pou h VAL 30 CO 0.01 0.03 -0.35 1.23 0.02 0.00 0.00 177.57 178.51 1pou h GLY 31 N 0.17 -0.22 0.99 2.17 0.00 -0.04 0.22 103.07 106.35 1pou h GLY 31 Ca 0.15 0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 1pou h GLY 31 CO -0.20 -0.20 -0.23 -2.00 0.00 0.00 0.00 176.54 173.90 1pou h LEU 32 N -0.21 -0.55 -0.36 3.11 5.85 -0.32 0.24 115.31 123.06 1pou h LEU 32 Ca 0.20 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1pou h LEU 32 Cb 0.55 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1pou h LEU 32 CO -0.62 -0.38 0.17 0.00 -0.34 0.00 0.00 178.44 177.27 1pou h ALA 33 N -0.16 0.43 -0.69 1.25 0.00 -0.72 0.74 119.26 120.12 1pou h ALA 33 Ca -0.07 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1pou h ALA 33 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1pou h ALA 33 CO 0.11 -0.20 0.41 0.52 0.00 0.00 0.00 179.25 180.08 1pou h MET 34 N 0.35 0.74 -0.61 0.00 2.86 -0.48 -0.05 114.93 117.75 1pou h MET 34 Ca 0.15 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 1pou h MET 34 Cb 0.07 -0.17 -0.11 0.00 0.06 0.00 0.00 31.60 31.45 1pou h MET 34 CO -0.11 0.49 -0.40 0.78 1.06 0.00 0.00 176.91 178.73 1pou h GLY 35 N 0.76 -0.33 0.99 8.32 0.00 0.83 0.50 103.07 114.14 1pou h GLY 35 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 47.33 48.16 1pou h GLY 35 CO -0.16 -0.17 0.08 0.50 0.00 0.00 0.00 176.54 176.79 1pou h LYS 36 N -0.19 0.16 0.00 4.80 1.57 0.04 -3.19 116.57 119.75 1pou h LYS 36 Ca 0.20 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.85 1pou h LYS 36 Cb 0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1pou h LYS 36 CO -0.71 0.12 -0.98 -0.07 -0.57 0.00 0.00 179.45 177.24 1pou h LEU 37 N 0.15 0.00 0.00 2.94 3.38 -0.59 -3.45 115.31 117.74 1pou h LEU 37 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1pou h LEU 37 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pou h LEU 37 CO -0.01 0.50 0.00 -1.22 0.09 0.00 0.00 178.44 177.80 1pou n TYR 38 N -3.02 -1.91 0.00 1.13 4.02 0.14 -5.07 117.16 112.44 1pou n TYR 38 Ca -0.04 0.39 0.00 0.00 -0.01 0.00 0.00 57.90 58.24 1pou n TYR 38 Cb 0.77 0.94 0.00 0.00 -0.02 0.00 0.00 39.34 41.04 1pou n TYR 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pou n GLY 39 N 0.92 2.64 2.91 2.72 0.00 0.11 -4.92 105.19 109.57 1pou n GLY 39 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1pou n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pou n ASN 40 N 0.00 4.21 -1.50 1.61 5.15 -1.26 -3.37 115.26 120.10 1pou n ASN 40 Ca 0.00 -2.88 -0.06 0.00 -0.60 0.00 0.00 54.58 51.03 1pou n ASN 40 Cb 0.00 -1.65 0.23 0.00 -0.53 0.00 0.00 39.78 37.82 1pou n ASN 40 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1pou n ASP 41 N 6.26 3.46 -0.68 1.20 2.03 -1.26 -4.65 116.55 122.90 1pou n ASP 41 Ca 0.50 -3.50 0.00 0.00 0.52 0.00 0.00 54.79 52.32 1pou n ASP 41 Cb 0.40 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1pou n ASP 41 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1pou n PHE 42 N -0.83 0.00 -2.01 -0.67 3.72 -1.26 -4.47 117.46 111.94 1pou n PHE 42 Ca 0.38 -0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 57.42 1pou n PHE 42 Cb 1.21 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.67 1pou n PHE 42 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1pou s SER 43 N -1.06 4.94 0.00 4.37 0.01 -1.26 -3.84 113.70 116.86 1pou s SER 43 Ca 0.06 -1.13 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1pou s SER 43 Cb 0.07 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1pou s SER 43 CO -0.03 -3.07 0.00 0.00 0.41 0.00 0.00 173.24 170.56 1pou n GLN 44 N 8.55 0.00 0.00 12.44 0.00 -1.26 -4.56 117.38 132.55 1pou n GLN 44 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.43 1pou n GLN 44 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.71 1pou n GLN 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1pou n THR 45 N 0.00 0.00 -0.30 -0.39 -1.04 -1.26 -0.06 114.28 111.22 1pou n THR 45 Ca 0.00 0.99 0.01 0.00 -2.04 0.00 0.00 64.05 63.00 1pou n THR 45 Cb 0.00 -1.32 0.19 0.00 -1.82 0.00 0.00 70.33 67.38 1pou n THR 45 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1pou h THR 46 N 0.00 1.18 -0.16 12.58 2.02 -1.80 0.87 112.91 127.60 1pou h THR 46 Ca 0.00 -0.40 -0.16 0.00 0.77 0.00 0.00 66.41 66.63 1pou h THR 46 Cb 0.00 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 1pou h THR 46 CO 0.00 0.21 -0.56 0.40 0.37 0.00 0.00 175.52 175.94 1pou h ILE 47 N 1.16 1.33 0.03 3.11 1.08 -1.47 0.28 117.51 123.02 1pou h ILE 47 Ca 0.34 -1.83 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1pou h ILE 47 Cb -0.05 1.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 1pou h ILE 47 CO -0.09 0.56 -0.01 0.28 -0.69 0.00 0.00 178.15 178.20 1pou h SER 48 N 0.37 -0.03 -0.81 1.72 0.02 0.18 -1.71 113.55 113.29 1pou h SER 48 Ca 0.00 -0.28 0.09 0.00 -0.84 0.00 0.00 61.79 60.76 1pou h SER 48 Cb 1.10 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.59 1pou h SER 48 CO 0.10 0.27 0.53 0.03 -1.14 0.00 0.00 176.83 176.62 1pou h ARG 49 N -0.34 0.75 0.95 3.45 3.08 -0.71 0.86 114.38 122.42 1pou h ARG 49 Ca -0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1pou h ARG 49 Cb 0.32 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1pou h ARG 49 CO 0.01 0.49 -0.46 0.35 -1.07 0.00 0.00 179.97 179.29 1pou h PHE 50 N 0.77 -1.19 -0.91 3.04 3.57 -0.23 0.11 116.94 122.10 1pou h PHE 50 Ca 0.37 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.92 1pou h PHE 50 Cb 0.42 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 1pou h PHE 50 CO -0.00 -0.74 0.57 0.93 -2.23 0.00 0.00 178.31 176.84 1pou h GLU 51 N -1.30 0.96 0.00 1.11 5.08 -0.96 0.15 114.58 119.63 1pou h GLU 51 Ca -0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1pou h GLU 51 Cb 0.98 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1pou h GLU 51 CO 0.22 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.86 1pou n ALA 52 N -2.36 2.09 -4.26 3.43 0.00 0.26 -4.88 120.51 114.80 1pou n ALA 52 Ca 0.14 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 1pou n ALA 52 Cb 0.22 -1.31 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 1pou n ALA 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1pou n LEU 53 N -1.17 -0.90 0.06 0.00 0.00 0.52 -4.90 117.00 110.60 1pou n LEU 53 Ca 0.11 -1.27 -0.20 0.00 0.00 0.00 0.00 56.01 54.65 1pou n LEU 53 Cb 0.12 -1.63 -0.14 0.00 0.00 0.00 0.00 43.42 41.76 1pou n LEU 53 CO 0.13 0.53 0.03 -1.13 0.00 0.00 0.00 177.39 176.96 1pou h ASN 54 N -1.95 0.54 -0.02 1.96 -0.73 -1.09 -3.38 115.58 110.91 1pou h ASN 54 Ca -0.67 -0.92 -0.61 0.00 1.87 0.00 0.00 56.30 55.97 1pou h ASN 54 Cb 1.40 -0.17 0.01 0.00 0.27 0.00 0.00 38.32 39.83 1pou h ASN 54 CO 0.67 1.42 3.27 0.18 -0.37 0.00 0.00 177.43 182.60 1pou n LEU 55 N -4.08 8.30 -1.70 0.34 4.77 -1.26 -4.90 117.00 118.47 1pou n LEU 55 Ca -0.14 -4.22 -0.10 0.00 -0.03 0.00 0.00 56.01 51.52 1pou n LEU 55 Cb 0.84 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 1pou n LEU 55 CO 0.50 2.03 0.80 -1.20 -1.33 0.00 0.00 177.39 178.19 1pou n SER 56 N 3.40 -0.43 0.00 -1.43 7.64 -1.26 -3.61 113.62 117.93 1pou n SER 56 Ca 0.74 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1pou n SER 56 Cb 0.32 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1pou n SER 56 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1pou n PHE 57 N 2.45 0.00 -0.27 1.43 7.35 -1.26 -4.57 117.46 122.59 1pou n PHE 57 Ca 0.26 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.96 1pou n PHE 57 Cb 0.04 0.00 0.09 0.00 0.35 0.00 0.00 39.48 39.96 1pou n PHE 57 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1pou h LYS 58 N 0.00 -0.02 0.22 -4.13 2.10 -2.01 0.14 116.57 112.88 1pou h LYS 58 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1pou h LYS 58 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1pou h LYS 58 CO 0.00 -0.01 -0.11 -0.97 -2.00 0.00 0.00 179.45 176.36 1pou h ASN 59 N -0.02 -0.25 -0.88 7.07 -0.73 -1.80 -3.35 115.58 115.61 1pou h ASN 59 Ca 0.37 -0.28 0.23 0.00 1.87 0.00 0.00 56.30 58.48 1pou h ASN 59 Cb 0.58 0.06 -0.13 0.00 0.27 0.00 0.00 38.32 39.10 1pou h ASN 59 CO -0.81 0.22 0.33 0.24 -0.37 0.00 0.00 177.43 177.04 1pou h MET 60 N -0.82 0.31 -0.23 6.67 0.00 -1.24 0.14 114.93 119.76 1pou h MET 60 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 59.70 59.65 1pou h MET 60 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 31.60 32.03 1pou h MET 60 CO 0.05 0.20 0.13 0.00 0.00 0.00 0.00 176.91 177.29 1pou h LYS 62 N 0.32 0.27 -0.82 0.00 1.79 -1.00 -3.39 116.57 113.74 1pou h LYS 62 Ca 0.08 -0.46 0.05 0.00 -2.18 0.00 0.00 60.65 58.14 1pou h LYS 62 Cb 0.01 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 1pou h LYS 62 CO -0.01 1.22 0.51 1.25 -1.08 0.00 0.00 179.45 181.33 1pou h LEU 63 N -0.33 0.80 0.75 2.94 5.85 -0.25 -1.09 115.31 123.98 1pou h LEU 63 Ca -0.24 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1pou h LEU 63 Cb 1.72 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1pou h LEU 63 CO 0.10 0.52 -0.42 0.50 -0.34 0.00 0.00 178.44 178.80 1pou h LYS 64 N 0.94 -1.05 -0.90 1.25 3.11 -0.78 0.11 116.57 119.25 1pou h LYS 64 Ca 0.35 0.07 0.03 0.00 -2.81 0.00 0.00 60.65 58.29 1pou h LYS 64 Cb 0.14 0.24 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 1pou h LYS 64 CO -0.16 -0.70 0.59 -1.00 -2.81 0.00 0.00 179.45 175.37 1pou h PRO 65 N -1.09 1.11 -0.07 1.90 0.13 -1.74 0.12 132.00 132.36 1pou h PRO 65 Ca -0.10 -0.07 0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1pou h PRO 65 Cb 0.86 -0.25 -0.05 0.00 0.13 0.00 0.00 31.00 31.68 1pou h PRO 65 CO 0.13 0.73 -0.27 1.25 -0.23 0.00 0.00 178.00 179.61 1pou h LEU 66 N 1.14 -0.81 -0.64 1.56 6.46 -0.94 0.15 115.31 122.23 1pou h LEU 66 Ca 0.35 0.12 -0.11 0.00 -0.12 0.00 0.00 57.88 58.12 1pou h LEU 66 Cb -0.01 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1pou h LEU 66 CO -0.10 -0.32 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.24 1pou h LEU 67 N -0.37 0.97 -0.32 2.25 3.38 -0.45 -0.36 115.31 120.41 1pou h LEU 67 Ca 0.08 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1pou h LEU 67 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1pou h LEU 67 CO -0.28 1.07 0.16 -0.08 0.09 0.00 0.00 178.44 179.40 1pou h GLU 68 N 0.87 0.33 -0.32 1.13 4.81 -0.31 0.22 114.58 121.32 1pou h GLU 68 Ca 0.14 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1pou h GLU 68 Cb 0.63 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1pou h GLU 68 CO 0.04 0.22 0.09 0.87 -0.73 0.00 0.00 179.01 179.50 1pou h LYS 69 N 0.34 0.50 -0.56 1.92 1.57 -0.60 0.05 116.57 119.78 1pou h LYS 69 Ca 0.13 -0.11 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1pou h LYS 69 Cb 0.03 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 1pou h LYS 69 CO -0.08 0.55 0.03 2.35 -0.57 0.00 0.00 179.45 181.73 1pou h TRP 70 N 0.35 0.02 0.12 -1.35 7.01 -0.68 0.92 115.95 122.34 1pou h TRP 70 Ca 0.10 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 1pou h TRP 70 Cb 0.27 0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1pou h TRP 70 CO 0.01 -0.11 -0.07 -0.07 -2.79 0.00 0.00 178.44 175.40 1pou h LEU 71 N 0.15 -0.18 -0.56 0.65 3.38 -0.15 0.94 115.31 119.54 1pou h LEU 71 Ca 0.29 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.34 1pou h LEU 71 Cb 0.45 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1pou h LEU 71 CO -0.45 -0.12 0.25 -1.13 0.09 0.00 0.00 178.44 177.07 1pou h ASN 72 N -0.19 0.31 0.40 -0.43 -0.00 -0.39 0.17 115.58 115.44 1pou h ASN 72 Ca -0.01 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.32 1pou h ASN 72 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.49 1pou h ASN 72 CO 0.01 0.20 -0.19 -0.78 -0.00 0.00 0.00 177.43 176.67 1pou h ASP 73 N 0.46 -0.45 -0.07 1.15 1.82 -0.48 -3.24 116.42 115.60 1pou h ASP 73 Ca 0.26 -0.07 0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1pou h ASP 73 Cb 0.25 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 1pou h ASP 73 CO -0.23 -0.21 -0.00 0.00 -1.61 0.00 0.00 179.24 177.19 1pou h ALA 74 N -0.15 0.06 0.00 -0.78 0.00 -0.62 -3.51 119.26 114.26 1pou h ALA 74 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pou h ALA 74 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1pou h ALA 74 CO 0.09 -0.48 0.00 -1.91 0.00 0.00 0.00 179.25 176.95