#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pou n LEU 6 N 0.00 0.65 -0.22 -2.67 -0.00 -1.26 -4.48 117.00 109.02 1pou n LEU 6 Ca 0.00 0.09 0.02 0.00 -0.00 0.00 0.00 56.01 56.13 1pou n LEU 6 Cb 0.00 -0.12 0.12 0.00 -0.00 0.00 0.00 43.42 43.42 1pou n LEU 6 CO 0.00 -0.01 0.85 -0.33 -0.00 0.00 0.00 177.39 177.90 1pou h GLU 7 N 0.00 0.14 -0.49 1.47 3.07 -2.05 0.33 114.58 117.05 1pou h GLU 7 Ca 0.00 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 1pou h GLU 7 Cb 0.76 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 1pou h GLU 7 CO 0.00 0.09 0.25 0.93 -1.40 0.00 0.00 179.01 178.88 1pou h GLU 8 N 0.14 0.48 0.31 2.33 4.39 -2.00 -2.66 114.58 117.57 1pou h GLU 8 Ca 0.35 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1pou h GLU 8 Cb 0.58 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1pou h GLU 8 CO -0.54 0.32 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.41 1pou h LEU 9 N 0.50 -0.35 0.77 1.33 3.38 -0.68 0.14 115.31 120.39 1pou h LEU 9 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1pou h LEU 9 Cb 0.11 0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pou h LEU 9 CO -0.14 -0.23 -0.37 1.05 0.09 0.00 0.00 178.44 178.84 1pou h GLU 10 N -0.44 -0.99 -0.29 1.13 4.11 -1.03 0.14 114.58 117.20 1pou h GLU 10 Ca -0.04 0.07 0.05 0.00 0.07 0.00 0.00 59.36 59.51 1pou h GLU 10 Cb 0.34 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 1pou h GLU 10 CO 0.07 -0.66 -0.03 1.96 0.07 0.00 0.00 179.01 180.43 1pou h GLN 11 N -1.05 0.05 -0.18 1.06 7.50 -1.50 -0.69 115.11 120.30 1pou h GLN 11 Ca -0.11 -0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.08 1pou h GLN 11 Cb 0.79 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.27 1pou h GLN 11 CO 0.17 0.03 -0.08 0.35 -1.50 0.00 0.00 178.83 177.80 1pou h PHE 12 N 0.05 -0.20 -0.12 2.96 3.57 -0.60 0.15 116.94 122.75 1pou h PHE 12 Ca 0.14 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 1pou h PHE 12 Cb 0.20 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1pou h PHE 12 CO -0.24 -0.13 -0.15 0.00 -2.23 0.00 0.00 178.31 175.55 1pou h ALA 13 N 1.10 -0.08 -0.85 2.41 0.00 0.02 0.37 119.26 122.23 1pou h ALA 13 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pou h ALA 13 Cb 0.21 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1pou h ALA 13 CO -0.22 -0.61 0.56 0.87 0.00 0.00 0.00 179.25 179.85 1pou h LYS 14 N -0.19 1.10 -0.37 0.00 1.79 -0.90 -1.92 116.57 116.08 1pou h LYS 14 Ca 0.09 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1pou h LYS 14 Cb 0.32 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1pou h LYS 14 CO -0.24 0.73 0.07 1.15 -1.08 0.00 0.00 179.45 180.09 1pou h THR 15 N 1.14 1.23 -0.41 -0.16 2.02 0.37 -1.58 112.91 115.52 1pou h THR 15 Ca 0.32 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.76 1pou h THR 15 Cb -0.10 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 1pou h THR 15 CO -0.07 0.28 0.01 0.15 0.37 0.00 0.00 175.52 176.25 1pou h PHE 16 N 0.45 -0.01 -0.46 3.16 3.57 0.26 0.21 116.94 124.13 1pou h PHE 16 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1pou h PHE 16 Cb 0.33 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1pou h PHE 16 CO 0.02 -0.07 0.30 -0.22 -2.23 0.00 0.00 178.31 176.11 1pou h LYS 17 N 0.11 0.60 -0.55 1.11 3.64 -1.24 0.99 116.57 121.23 1pou h LYS 17 Ca 0.20 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1pou h LYS 17 Cb 0.28 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 1pou h LYS 17 CO -0.33 0.40 0.28 1.96 -2.27 0.00 0.00 179.45 179.49 1pou h GLN 18 N 0.62 0.53 -0.51 1.90 4.20 -0.19 -0.66 115.11 120.99 1pou h GLN 18 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1pou h GLN 18 Cb -0.07 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1pou h GLN 18 CO -0.04 0.35 0.31 0.00 -0.67 0.00 0.00 178.83 178.78 1pou h ARG 19 N 0.54 0.70 -0.55 1.46 2.47 -0.20 0.45 114.38 119.26 1pou h ARG 19 Ca 0.24 -0.07 0.11 0.00 -1.26 0.00 0.00 59.98 59.01 1pou h ARG 19 Cb 0.14 -0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 28.22 1pou h ARG 19 CO -0.16 0.51 -0.05 -0.09 0.56 0.00 0.00 179.97 180.74 1pou h ARG 20 N 0.69 0.07 0.12 0.04 2.43 -0.24 0.20 114.38 117.70 1pou h ARG 20 Ca 0.18 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1pou h ARG 20 Cb -0.01 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1pou h ARG 20 CO -0.03 0.05 -0.06 0.82 -1.51 0.00 0.00 179.97 179.23 1pou h ILE 21 N 0.07 0.92 -0.89 1.20 2.04 -0.62 -0.13 117.51 120.10 1pou h ILE 21 Ca 0.28 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.08 1pou h ILE 21 Cb 0.43 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 1pou h ILE 21 CO -0.50 0.03 0.55 0.11 0.00 0.00 0.00 178.15 178.34 1pou h LYS 22 N -0.22 0.94 0.00 2.37 1.79 -0.03 0.14 116.57 121.56 1pou h LYS 22 Ca -0.02 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1pou h LYS 22 Cb 0.18 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1pou h LYS 22 CO 0.03 0.62 0.00 1.28 -1.08 0.00 0.00 179.45 180.30 1pou n LEU 23 N -4.63 0.29 -2.31 2.94 4.77 0.64 -4.88 117.00 113.82 1pou n LEU 23 Ca 0.14 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 1pou n LEU 23 Cb 0.22 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1pou n LEU 23 CO 0.30 -0.42 -0.08 0.61 -1.33 0.00 0.00 177.39 176.47 1pou n GLY 24 N -0.16 -0.31 3.64 -0.72 0.00 0.50 -4.95 105.19 103.19 1pou n GLY 24 Ca 0.02 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.99 3.08 -1.32 1.61 0.40 -0.11 -4.90 117.98 113.74 1pou s PHE 25 Ca 0.16 1.14 -0.09 0.00 -0.60 0.00 0.00 56.93 57.55 1pou s PHE 25 Cb -0.07 -3.72 -0.10 0.00 0.51 0.00 0.00 43.02 39.65 1pou s PHE 25 CO 0.20 -0.93 3.02 0.25 0.70 0.00 0.00 175.22 178.46 1pou n THR 26 N 5.90 4.19 0.00 0.64 -2.24 -1.26 -4.70 114.28 116.81 1pou n THR 26 Ca 0.12 -2.58 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 1pou n THR 26 Cb 0.47 -2.45 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 1pou n THR 26 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1pou n GLN 27 N 3.18 0.00 0.01 -0.78 -0.06 -1.26 -3.16 117.38 115.31 1pou n GLN 27 Ca 0.71 0.00 0.22 0.00 -2.00 0.00 0.00 57.00 55.93 1pou n GLN 27 Cb 0.35 0.00 0.73 0.00 -4.06 0.00 0.00 30.24 27.25 1pou n GLN 27 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1pou h GLY 28 N 0.00 0.00 0.41 1.69 0.00 -1.88 0.92 103.07 104.22 1pou h GLY 28 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1pou h GLY 28 CO 0.00 0.00 0.61 -1.80 0.00 0.00 0.00 176.54 175.35 1pou h ASP 29 N 0.00 0.87 0.13 0.19 1.82 -1.87 0.15 116.42 117.71 1pou h ASP 29 Ca 0.26 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1pou h ASP 29 Cb 1.21 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 1pou h ASP 29 CO -0.00 0.44 -0.13 0.58 -1.61 0.00 0.00 179.24 178.52 1pou h VAL 30 N 0.93 0.72 -0.63 2.25 2.07 -1.08 -0.36 116.25 120.14 1pou h VAL 30 Ca 0.50 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.15 1pou h VAL 30 Cb 0.55 0.72 -0.12 0.00 -1.52 0.00 0.00 31.29 30.91 1pou h VAL 30 CO -0.29 0.00 -0.18 1.23 0.02 0.00 0.00 177.57 178.35 1pou h GLY 31 N -0.28 0.39 0.97 2.17 0.00 -0.27 0.22 103.07 106.27 1pou h GLY 31 Ca 0.00 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 1pou h GLY 31 CO -0.03 -0.24 -0.37 -2.00 0.00 0.00 0.00 176.54 173.89 1pou h LEU 32 N -0.03 -0.90 -0.54 3.11 5.85 -0.39 0.23 115.31 122.65 1pou h LEU 32 Ca 0.30 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1pou h LEU 32 Cb 0.48 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1pou h LEU 32 CO -0.66 -0.62 0.32 0.00 -0.34 0.00 0.00 178.44 177.14 1pou h ALA 33 N -0.75 0.69 -0.69 1.25 0.00 -0.74 0.19 119.26 119.21 1pou h ALA 33 Ca -0.10 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1pou h ALA 33 Cb 0.79 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1pou h ALA 33 CO 0.15 0.17 0.35 0.52 0.00 0.00 0.00 179.25 180.44 1pou h MET 34 N 0.72 0.60 -0.57 0.00 2.86 -0.55 -0.09 114.93 117.90 1pou h MET 34 Ca 0.19 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.87 1pou h MET 34 Cb -0.01 -0.14 -0.10 0.00 0.06 0.00 0.00 31.60 31.41 1pou h MET 34 CO -0.04 0.40 -0.48 0.78 1.06 0.00 0.00 176.91 178.63 1pou h GLY 35 N 0.62 -0.65 0.74 8.32 0.00 0.11 0.47 103.07 112.68 1pou h GLY 35 Ca 0.33 0.63 0.02 0.00 0.00 0.00 0.00 47.33 48.32 1pou h GLY 35 CO -0.24 -0.13 -0.04 0.50 0.00 0.00 0.00 176.54 176.63 1pou h LYS 36 N -0.26 -0.02 0.00 4.80 6.56 -0.11 -3.20 116.57 124.35 1pou h LYS 36 Ca 0.15 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.61 1pou h LYS 36 Cb 0.56 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.20 1pou h LYS 36 CO -0.69 -0.01 -0.84 -0.07 -2.06 0.00 0.00 179.45 175.78 1pou h LEU 37 N -0.02 0.00 0.00 2.94 3.38 -0.56 -3.45 115.31 117.60 1pou h LEU 37 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1pou h LEU 37 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1pou h LEU 37 CO -0.13 0.56 0.00 -1.22 0.09 0.00 0.00 178.44 177.74 1pou n TYR 38 N -3.12 -2.96 0.00 1.13 4.02 0.13 -5.07 117.16 111.28 1pou n TYR 38 Ca -0.02 0.72 0.00 0.00 -0.01 0.00 0.00 57.90 58.59 1pou n TYR 38 Cb 0.78 1.51 0.00 0.00 -0.02 0.00 0.00 39.34 41.62 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 0.62 2.98 1.35 2.72 0.00 0.93 -4.92 105.19 108.87 1pou n GLY 39 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1pou n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pou n ASN 40 N 0.00 4.08 -1.57 1.61 6.94 -1.26 -3.58 115.26 121.47 1pou n ASN 40 Ca 0.00 -2.11 -0.06 0.00 -0.02 0.00 0.00 54.58 52.40 1pou n ASN 40 Cb 0.00 -0.82 0.02 0.00 -2.36 0.00 0.00 39.78 36.62 1pou n ASN 40 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1pou n ASP 41 N 1.19 5.36 -2.72 0.53 2.03 -1.26 -3.78 116.55 117.89 1pou n ASP 41 Ca 0.00 -2.58 -0.03 0.00 0.52 0.00 0.00 54.79 52.69 1pou n ASP 41 Cb 0.45 -1.02 0.10 0.00 -0.72 0.00 0.00 41.12 39.93 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 0.97 -0.95 0.28 -0.67 3.01 -1.26 -4.58 117.46 114.26 1pou n PHE 42 Ca 0.10 -1.97 -0.15 0.00 1.01 0.00 0.00 57.45 56.44 1pou n PHE 42 Cb 0.55 0.91 -0.08 0.00 -0.01 0.00 0.00 39.48 40.85 1pou n PHE 42 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1pou h SER 43 N 1.80 -1.07 0.00 4.37 4.64 -1.89 -1.99 113.55 119.41 1pou h SER 43 Ca -0.30 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1pou h SER 43 Cb 1.28 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1pou h SER 43 CO -0.00 -0.57 0.00 1.67 -0.87 0.00 0.00 176.83 177.06 1pou n GLN 44 N -4.90 0.00 -0.02 4.77 7.27 -1.26 -3.65 117.38 119.60 1pou n GLN 44 Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.92 1pou n GLN 44 Cb 0.39 -0.03 -0.03 0.00 2.41 0.00 0.00 30.24 32.97 1pou n GLN 44 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1pou h THR 45 N 0.00 0.00 -0.21 1.69 2.02 -1.92 0.19 112.91 114.68 1pou h THR 45 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1pou h THR 45 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1pou h THR 45 CO 0.00 0.00 -0.00 0.71 0.37 0.00 0.00 175.52 176.60 1pou h THR 46 N -0.15 0.85 -0.46 3.16 1.35 -1.94 0.66 112.91 116.37 1pou h THR 46 Ca 0.01 -0.02 0.08 0.00 -0.55 0.00 0.00 66.41 65.93 1pou h THR 46 Cb 0.19 0.78 -0.07 0.00 -1.73 0.00 0.00 68.15 67.33 1pou h THR 46 CO -0.14 0.01 0.08 0.40 -0.25 0.00 0.00 175.52 175.62 1pou h ILE 47 N 0.07 0.74 -0.18 6.82 1.08 -1.83 0.31 117.51 124.50 1pou h ILE 47 Ca 0.10 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 1pou h ILE 47 Cb 0.12 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1pou h ILE 47 CO -0.17 0.04 0.12 0.28 -0.69 0.00 0.00 178.15 177.73 1pou h SER 48 N 0.22 0.21 -0.20 1.72 0.02 0.14 -1.31 113.55 114.35 1pou h SER 48 Ca 0.23 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 1pou h SER 48 Cb 0.30 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1pou h SER 48 CO -0.31 0.15 0.13 0.03 -1.14 0.00 0.00 176.83 175.70 1pou h ARG 49 N 0.25 0.15 0.56 3.45 2.47 -0.06 0.17 114.38 121.37 1pou h ARG 49 Ca 0.07 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1pou h ARG 49 Cb -0.03 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1pou h ARG 49 CO -0.01 0.10 -0.27 0.35 0.56 0.00 0.00 179.97 180.69 1pou h PHE 50 N 0.15 -0.70 0.00 3.04 3.57 0.35 0.12 116.94 123.48 1pou h PHE 50 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1pou h PHE 50 Cb 0.15 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1pou h PHE 50 CO -0.00 -0.37 -0.11 0.93 -2.23 0.00 0.00 178.31 176.54 1pou h GLU 51 N -1.03 0.00 -0.00 1.11 3.07 -0.84 0.17 114.58 117.07 1pou h GLU 51 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1pou h GLU 51 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1pou h GLU 51 CO 0.13 0.11 -0.03 0.00 -1.40 0.00 0.00 179.01 177.81 1pou n ALA 52 N -2.36 2.51 -3.98 3.43 0.00 0.57 -4.90 120.51 115.79 1pou n ALA 52 Ca -0.02 -0.15 -0.26 0.00 0.00 0.00 0.00 53.44 53.01 1pou n ALA 52 Cb 0.20 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1pou n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pou n LEU 53 N -1.31 -2.18 0.05 0.00 4.32 0.61 -4.91 117.00 113.58 1pou n LEU 53 Ca 0.12 -1.01 -0.11 0.00 -0.02 0.00 0.00 56.01 54.99 1pou n LEU 53 Cb 0.28 -2.21 -0.13 0.00 -1.62 0.00 0.00 43.42 39.74 1pou n LEU 53 CO 0.25 0.43 -0.13 -1.13 -1.22 0.00 0.00 177.39 175.58 1pou h ASN 54 N -1.82 0.15 -0.10 -1.43 -0.00 -1.07 -3.40 115.58 107.92 1pou h ASN 54 Ca -0.63 -0.20 -0.15 0.00 -0.00 0.00 0.00 56.30 55.32 1pou h ASN 54 Cb 1.38 -0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 39.59 1pou h ASN 54 CO 0.63 1.16 -0.17 0.18 -0.00 0.00 0.00 177.43 179.24 1pou n LEU 55 N -3.34 5.42 -0.41 0.34 4.77 -1.25 -4.91 117.00 117.61 1pou n LEU 55 Ca -0.08 -2.99 -0.01 0.00 -0.03 0.00 0.00 56.01 52.90 1pou n LEU 55 Cb 1.00 -1.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1pou n LEU 55 CO 0.48 1.45 0.15 -1.20 -1.33 0.00 0.00 177.39 176.95 1pou n SER 56 N 1.95 -0.17 0.00 -1.43 7.64 -1.26 -3.48 113.62 116.87 1pou n SER 56 Ca 0.28 -0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1pou n SER 56 Cb 0.74 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.49 0.00 -0.22 1.43 7.35 -1.26 -4.60 117.46 120.65 1pou n PHE 57 Ca 0.04 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.71 1pou n PHE 57 Cb 0.03 0.00 0.05 0.00 0.35 0.00 0.00 39.48 39.91 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 -0.06 -0.00 -4.13 2.10 -2.00 0.21 116.57 112.68 1pou h LYS 58 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1pou h LYS 58 Cb 0.00 0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1pou h LYS 58 CO 0.00 -0.04 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.07 1pou h ASN 59 N -0.06 0.33 -0.85 7.07 -0.00 -1.81 -3.35 115.58 116.90 1pou h ASN 59 Ca 0.29 -0.77 0.21 0.00 -0.00 0.00 0.00 56.30 56.03 1pou h ASN 59 Cb 0.52 -0.10 -0.13 0.00 -0.00 0.00 0.00 38.32 38.61 1pou h ASN 59 CO -0.70 1.06 0.26 0.24 -0.00 0.00 0.00 177.43 178.29 1pou h MET 60 N -0.37 0.26 0.00 6.67 2.86 -1.29 0.11 114.93 123.17 1pou h MET 60 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1pou h MET 60 Cb 1.11 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 1pou h MET 60 CO 0.07 0.17 -0.04 0.00 1.06 0.00 0.00 176.91 178.18 1pou h LYS 62 N 0.00 0.11 -0.96 0.00 1.57 -1.18 -3.39 116.57 112.71 1pou h LYS 62 Ca -0.00 -0.18 0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1pou h LYS 62 Cb 0.06 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.36 1pou h LYS 62 CO 0.00 1.09 0.60 1.25 -0.57 0.00 0.00 179.45 181.82 1pou h LEU 63 N -0.72 0.89 0.31 2.94 5.85 -0.30 -0.83 115.31 123.45 1pou h LEU 63 Ca -0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1pou h LEU 63 Cb 1.38 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1pou h LEU 63 CO -0.02 0.49 -0.15 0.50 -0.34 0.00 0.00 178.44 178.92 1pou h LYS 64 N 0.97 -0.40 -1.00 1.25 3.64 -0.70 0.73 116.57 121.07 1pou h LYS 64 Ca 0.47 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 60.01 1pou h LYS 64 Cb 0.42 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 1pou h LYS 64 CO -0.25 -0.27 0.62 -1.00 -2.27 0.00 0.00 179.45 176.28 1pou h PRO 65 N -0.42 0.89 0.12 1.90 0.13 -1.73 0.16 132.00 133.05 1pou h PRO 65 Ca -0.04 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1pou h PRO 65 Cb 0.32 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.20 1pou h PRO 65 CO 0.07 0.59 -0.39 1.25 -0.23 0.00 0.00 178.00 179.29 1pou h LEU 66 N 0.92 -1.16 -0.73 1.56 6.46 -1.07 0.12 115.31 121.41 1pou h LEU 66 Ca 0.52 0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 58.28 1pou h LEU 66 Cb 0.61 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 1pou h LEU 66 CO -0.30 -0.47 -0.42 -0.07 -0.62 0.00 0.00 178.44 176.56 1pou h LEU 67 N -0.63 0.51 -0.08 2.25 3.38 -0.16 -0.73 115.31 119.85 1pou h LEU 67 Ca 0.02 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1pou h LEU 67 Cb 0.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1pou h LEU 67 CO -0.23 0.87 -0.00 -0.33 0.09 0.00 0.00 178.44 178.83 1pou h GLU 68 N 0.39 0.02 -0.38 1.13 5.08 -0.47 0.18 114.58 120.54 1pou h GLU 68 Ca 0.03 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1pou h GLU 68 Cb 0.90 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1pou h GLU 68 CO 0.08 0.02 0.11 -0.22 -1.00 0.00 0.00 179.01 178.00 1pou h LYS 69 N 0.02 0.59 -0.52 2.33 3.11 -0.59 0.41 116.57 121.93 1pou h LYS 69 Ca 0.04 -0.13 0.10 0.00 -2.81 0.00 0.00 60.65 57.85 1pou h LYS 69 Cb 0.05 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.10 1pou h LYS 69 CO -0.07 0.61 -0.03 2.35 -2.81 0.00 0.00 179.45 179.50 1pou h TRP 70 N 0.46 -0.08 0.18 1.91 7.01 -0.96 0.90 115.95 125.36 1pou h TRP 70 Ca 0.12 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1pou h TRP 70 Cb 0.27 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1pou h TRP 70 CO 0.01 -0.15 -0.09 -0.07 -2.79 0.00 0.00 178.44 175.36 1pou h LEU 71 N 0.09 -0.20 -0.56 0.65 3.38 0.10 0.74 115.31 119.51 1pou h LEU 71 Ca 0.26 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1pou h LEU 71 Cb 0.40 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 1pou h LEU 71 CO -0.46 -0.09 0.21 -1.13 0.09 0.00 0.00 178.44 177.07 1pou h ASN 72 N -0.30 0.23 0.30 -0.43 -0.00 -0.59 0.14 115.58 114.94 1pou h ASN 72 Ca -0.02 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.33 1pou h ASN 72 Cb 0.23 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1pou h ASN 72 CO 0.04 0.15 -0.15 -0.78 -0.00 0.00 0.00 177.43 176.69 1pou h ASP 73 N 0.40 -0.35 -0.35 1.15 1.82 -0.40 -3.00 116.42 115.69 1pou h ASP 73 Ca 0.27 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.96 1pou h ASP 73 Cb 0.30 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.35 1pou h ASP 73 CO -0.27 -0.22 0.03 0.00 -1.61 0.00 0.00 179.24 177.18 1pou h ALA 74 N 0.25 0.35 0.00 -0.78 0.00 -0.48 -3.51 119.26 115.09 1pou h ALA 74 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pou h ALA 74 Cb 0.34 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pou h ALA 74 CO 0.07 -0.37 0.00 0.39 0.00 0.00 0.00 179.25 179.34