#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 -0.17 -0.86 -2.67 4.07 -2.04 0.14 115.31 113.78 1pou h LEU 6 Ca 0.00 0.22 0.16 0.00 0.08 0.00 0.00 57.88 58.34 1pou h LEU 6 Cb 0.00 0.34 -0.15 0.00 1.08 0.00 0.00 40.66 41.93 1pou h LEU 6 CO 0.00 -0.23 -0.27 1.21 -1.08 0.00 0.00 178.44 178.08 1pou n GLU 7 N -5.32 -0.13 -0.06 1.13 2.13 -1.26 -0.37 120.64 116.76 1pou n GLU 7 Ca 0.21 1.34 -0.08 0.00 0.66 0.00 0.00 57.16 59.29 1pou n GLU 7 Cb 0.70 -1.99 -0.01 0.00 0.27 0.00 0.00 31.44 30.40 1pou n GLU 7 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pou h GLU 8 N 0.00 0.15 -0.17 5.31 5.08 -1.14 -0.49 114.58 123.32 1pou h GLU 8 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1pou h GLU 8 Cb 0.58 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1pou h GLU 8 CO -0.87 0.10 0.10 -0.07 -1.00 0.00 0.00 179.01 177.27 1pou h LEU 9 N 0.15 0.19 0.75 1.33 4.07 -0.78 0.21 115.31 121.24 1pou h LEU 9 Ca 0.11 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 1pou h LEU 9 Cb 0.11 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1pou h LEU 9 CO -0.15 0.16 -0.41 -0.33 -1.08 0.00 0.00 178.44 176.64 1pou h GLU 10 N 0.21 -1.03 -0.06 1.13 5.08 -0.74 0.66 114.58 119.83 1pou h GLU 10 Ca 0.06 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1pou h GLU 10 Cb -0.00 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1pou h GLU 10 CO -0.01 -0.69 -0.12 1.96 -1.00 0.00 0.00 179.01 179.16 1pou h GLN 11 N -1.07 -0.16 -0.26 2.33 1.08 -1.08 -2.14 115.11 113.82 1pou h GLN 11 Ca -0.10 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 1pou h GLN 11 Cb 0.84 0.04 -0.07 0.00 -0.05 0.00 0.00 27.48 28.24 1pou h GLN 11 CO 0.14 -0.11 -0.23 0.35 -0.95 0.00 0.00 178.83 178.03 1pou h PHE 12 N -0.17 -0.60 -0.16 2.96 3.57 -0.48 -0.37 116.94 121.69 1pou h PHE 12 Ca 0.06 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1pou h PHE 12 Cb 0.26 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.24 1pou h PHE 12 CO -0.20 -0.31 -0.25 0.00 -2.23 0.00 0.00 178.31 175.32 1pou h ALA 13 N 0.85 -0.21 0.00 2.41 0.00 -0.43 0.40 119.26 122.29 1pou h ALA 13 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pou h ALA 13 Cb 0.44 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1pou h ALA 13 CO -0.39 -0.70 0.00 1.63 0.00 0.00 0.00 179.25 179.79 1pou n LYS 14 N -5.37 0.10 0.00 0.00 5.02 -0.84 -1.98 118.16 115.08 1pou n LYS 14 Ca -0.02 0.41 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 1pou n LYS 14 Cb 0.29 -1.71 -0.14 0.00 -0.02 0.00 0.00 35.03 33.44 1pou n LYS 14 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1pou n THR 15 N -1.90 1.75 -0.23 -0.18 -1.04 0.25 -3.50 114.28 109.42 1pou n THR 15 Ca 0.02 -0.68 0.02 0.00 -2.04 0.00 0.00 64.05 61.37 1pou n THR 15 Cb 0.15 -1.61 0.14 0.00 -1.82 0.00 0.00 70.33 67.20 1pou n THR 15 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1pou h PHE 16 N 0.06 0.49 -0.27 -1.42 3.04 0.32 0.15 116.94 119.31 1pou h PHE 16 Ca -0.40 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.64 1pou h PHE 16 Cb 2.03 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 40.35 1pou h PHE 16 CO 0.06 0.11 -0.42 -0.22 -2.02 0.00 0.00 178.31 175.83 1pou h LYS 17 N 0.46 -0.39 -0.06 1.11 3.64 -1.59 0.12 116.57 119.86 1pou h LYS 17 Ca 0.36 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1pou h LYS 17 Cb 0.47 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1pou h LYS 17 CO -0.34 -0.26 0.04 1.96 -2.27 0.00 0.00 179.45 178.58 1pou h GLN 18 N -0.40 0.08 -0.03 1.90 4.20 -1.05 0.26 115.11 120.06 1pou h GLN 18 Ca 0.11 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.84 1pou h GLN 18 Cb 0.60 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1pou h GLN 18 CO -0.49 0.07 -0.15 0.00 -0.67 0.00 0.00 178.83 177.60 1pou h ARG 19 N 0.06 -0.22 -0.42 1.46 2.47 -0.65 0.82 114.38 117.90 1pou h ARG 19 Ca 0.02 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 1pou h ARG 19 Cb 0.01 0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 28.30 1pou h ARG 19 CO -0.00 -0.15 -0.14 -0.09 0.56 0.00 0.00 179.97 180.15 1pou h ARG 20 N -0.23 -0.04 0.14 0.04 2.43 -0.43 0.19 114.38 116.49 1pou h ARG 20 Ca 0.06 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1pou h ARG 20 Cb 0.31 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1pou h ARG 20 CO -0.17 -0.03 -0.07 0.82 -1.51 0.00 0.00 179.97 179.02 1pou h ILE 21 N -0.04 0.86 -0.94 1.20 2.04 -0.64 0.18 117.51 120.16 1pou h ILE 21 Ca 0.20 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.11 1pou h ILE 21 Cb 0.35 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 1pou h ILE 21 CO -0.45 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.42 1pou h LYS 22 N -0.20 1.13 0.00 2.37 1.79 -0.07 0.17 116.57 121.76 1pou h LYS 22 Ca -0.02 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1pou h LYS 22 Cb 0.15 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1pou h LYS 22 CO 0.03 0.75 0.00 -0.07 -1.08 0.00 0.00 179.45 179.08 1pou h LEU 23 N 1.16 0.00 1.84 2.94 3.38 -0.52 -3.46 115.31 120.64 1pou h LEU 23 Ca 0.39 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.09 1pou h LEU 23 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1pou h LEU 23 CO -0.14 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.67 1pou n GLY 24 N -0.27 -0.14 3.51 0.83 0.00 0.59 -4.97 105.19 104.75 1pou n GLY 24 Ca 0.01 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.65 3.00 1.02 1.61 0.08 -0.02 -5.02 117.98 116.00 1pou s PHE 25 Ca 0.00 -0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.82 1pou s PHE 25 Cb 0.00 -3.59 0.20 0.00 -0.57 0.00 0.00 43.02 39.06 1pou s PHE 25 CO 0.00 -1.02 1.08 0.95 -0.10 0.00 0.00 175.22 176.13 1pou s THR 26 N 3.08 2.15 0.29 0.64 -4.23 -1.26 -4.65 115.64 111.66 1pou s THR 26 Ca 0.24 0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1pou s THR 26 Cb -0.14 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1pou s THR 26 CO 0.18 -0.06 1.82 0.06 -0.54 0.00 0.00 174.62 176.08 1pou h GLN 27 N -1.99 0.89 0.23 3.99 -0.00 -1.96 0.32 115.11 116.60 1pou h GLN 27 Ca -0.55 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.05 1pou h GLN 27 Cb 1.32 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.48 28.57 1pou h GLN 27 CO 0.55 0.59 -0.29 0.78 -0.00 0.00 0.00 178.83 180.46 1pou h GLY 28 N 0.92 -0.63 0.61 0.06 0.00 -1.91 0.17 103.07 102.30 1pou h GLY 28 Ca 0.52 0.34 -0.00 0.00 0.00 0.00 0.00 47.33 48.19 1pou h GLY 28 CO -0.30 -0.25 -0.35 -1.80 0.00 0.00 0.00 176.54 173.84 1pou h ASP 29 N -0.58 -0.94 -0.38 0.19 1.82 -1.64 0.92 116.42 115.82 1pou h ASP 29 Ca 0.00 0.08 0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1pou h ASP 29 Cb 0.56 0.32 -0.02 0.00 0.68 0.00 0.00 39.33 40.86 1pou h ASP 29 CO -0.10 -0.48 0.22 0.58 -1.61 0.00 0.00 179.24 177.85 1pou h VAL 30 N -0.71 1.04 -0.39 2.25 2.07 -0.96 0.24 116.25 119.80 1pou h VAL 30 Ca -0.02 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1pou h VAL 30 Cb 0.64 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1pou h VAL 30 CO -0.07 0.08 -0.24 1.23 0.02 0.00 0.00 177.57 178.59 1pou h GLY 31 N 0.45 -0.02 1.01 2.17 0.00 -0.38 0.20 103.07 106.50 1pou h GLY 31 Ca 0.15 0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 1pou h GLY 31 CO -0.07 -0.20 -0.22 -2.00 0.00 0.00 0.00 176.54 174.05 1pou h LEU 32 N -0.17 -0.52 -0.41 3.11 5.85 -0.20 0.16 115.31 123.14 1pou h LEU 32 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1pou h LEU 32 Cb 0.47 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1pou h LEU 32 CO -0.49 -0.37 0.26 0.00 -0.34 0.00 0.00 178.44 177.50 1pou h ALA 33 N -0.06 0.52 -0.57 1.25 0.00 -0.73 0.11 119.26 119.78 1pou h ALA 33 Ca -0.06 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1pou h ALA 33 Cb 0.47 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1pou h ALA 33 CO 0.10 -0.01 0.29 0.52 0.00 0.00 0.00 179.25 180.16 1pou h MET 34 N 0.55 0.54 -0.72 0.00 2.86 -0.57 -1.63 114.93 115.96 1pou h MET 34 Ca 0.15 -0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1pou h MET 34 Cb -0.04 -0.12 -0.12 0.00 0.06 0.00 0.00 31.60 31.38 1pou h MET 34 CO -0.03 0.36 -0.42 0.78 1.06 0.00 0.00 176.91 178.66 1pou h GLY 35 N 0.56 -0.29 0.29 8.32 0.00 0.56 0.35 103.07 112.87 1pou h GLY 35 Ca 0.26 0.55 0.08 0.00 0.00 0.00 0.00 47.33 48.21 1pou h GLY 35 CO -0.18 -0.16 -0.01 1.70 0.00 0.00 0.00 176.54 177.89 1pou h LYS 36 N -0.14 0.10 0.08 4.80 1.63 0.08 -3.15 116.57 119.97 1pou h LYS 36 Ca 0.23 -0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.69 1pou h LYS 36 Cb 0.56 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 1pou h LYS 36 CO -0.78 0.07 -1.87 1.28 -3.45 0.00 0.00 179.45 174.70 1pou n LEU 37 N -5.21 1.92 0.10 5.20 4.77 -0.85 -4.86 117.00 118.08 1pou n LEU 37 Ca 0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1pou n LEU 37 Cb 0.23 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1pou n LEU 37 CO 0.18 0.66 -0.01 -1.22 -1.33 0.00 0.00 177.39 175.67 1pou n TYR 38 N -3.31 -1.55 0.00 -1.77 4.02 0.90 -5.10 117.16 110.35 1pou n TYR 38 Ca -0.25 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 1pou n TYR 38 Cb 1.05 0.37 0.00 0.00 -0.02 0.00 0.00 39.34 40.74 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 2.23 3.86 1.43 2.72 0.00 0.61 -4.92 105.19 111.12 1pou n GLY 39 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.82 -1.57 1.61 6.94 -1.26 -3.39 115.26 122.41 1pou n ASN 40 Ca 0.00 -2.30 -0.04 0.00 -0.02 0.00 0.00 54.58 52.22 1pou n ASN 40 Cb 0.00 -1.00 0.01 0.00 -2.36 0.00 0.00 39.78 36.43 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 1.35 5.43 -1.56 0.53 2.03 -1.26 -3.48 116.55 119.59 1pou n ASP 41 Ca 0.00 -2.55 0.01 0.00 0.52 0.00 0.00 54.79 52.77 1pou n ASP 41 Cb 0.49 -1.06 0.01 0.00 -0.72 0.00 0.00 41.12 39.83 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 1.11 0.06 -1.41 -0.67 3.72 -1.26 -4.60 117.46 114.41 1pou n PHE 42 Ca 0.08 -0.68 -0.40 0.00 -0.05 0.00 0.00 57.45 56.41 1pou n PHE 42 Cb 0.53 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 1pou n PHE 42 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1pou n SER 43 N 0.26 4.47 0.00 4.37 7.64 -1.23 -3.90 113.62 125.23 1pou n SER 43 Ca -0.01 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1pou n SER 43 Cb 1.03 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1pou n SER 43 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1pou n GLN 44 N 5.70 0.00 0.00 1.43 7.27 -1.26 -4.77 117.38 125.75 1pou n GLN 44 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1pou n GLN 44 Cb 0.34 -0.02 0.00 0.00 2.41 0.00 0.00 30.24 32.96 1pou n GLN 44 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1pou n THR 45 N 0.00 0.00 -0.22 1.69 -2.24 -1.26 -0.33 114.28 111.92 1pou n THR 45 Ca 0.00 1.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.81 1pou n THR 45 Cb 0.00 -1.76 0.12 0.00 -2.10 0.00 0.00 70.33 66.59 1pou n THR 45 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1pou h THR 46 N 0.00 0.81 0.12 4.28 1.35 -1.86 -0.42 112.91 117.19 1pou h THR 46 Ca 0.00 -0.17 0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1pou h THR 46 Cb 0.00 0.27 -0.03 0.00 -1.73 0.00 0.00 68.15 66.67 1pou h THR 46 CO 0.00 0.09 -0.21 0.40 -0.25 0.00 0.00 175.52 175.55 1pou h ILE 47 N 0.49 0.52 -0.11 6.82 1.08 -1.84 0.38 117.51 124.85 1pou h ILE 47 Ca 0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.79 1pou h ILE 47 Cb 0.37 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1pou h ILE 47 CO -0.28 0.00 0.07 0.77 -0.69 0.00 0.00 178.15 178.02 1pou h SER 48 N -0.41 0.13 -0.59 1.72 4.64 -0.07 0.36 113.55 119.34 1pou h SER 48 Ca 0.03 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1pou h SER 48 Cb 0.42 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1pou h SER 48 CO -0.11 0.11 0.39 0.03 -0.87 0.00 0.00 176.83 176.38 1pou h ARG 49 N 0.14 0.60 0.16 4.77 2.47 -0.88 0.11 114.38 121.75 1pou h ARG 49 Ca 0.04 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1pou h ARG 49 Cb 0.00 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.19 1pou h ARG 49 CO -0.01 0.40 -0.08 0.35 0.56 0.00 0.00 179.97 181.19 1pou h PHE 50 N 0.62 -0.20 -0.99 3.04 3.57 0.37 0.17 116.94 123.52 1pou h PHE 50 Ca 0.25 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.84 1pou h PHE 50 Cb 0.19 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 1pou h PHE 50 CO -0.00 0.20 0.62 0.93 -2.23 0.00 0.00 178.31 177.83 1pou h GLU 51 N -0.69 1.01 0.00 1.11 5.08 -0.64 0.28 114.58 120.73 1pou h GLU 51 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1pou h GLU 51 Cb 0.50 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1pou h GLU 51 CO 0.04 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 178.72 1pou n ALA 52 N -2.36 1.99 -3.56 3.43 0.00 0.37 -4.55 120.51 115.83 1pou n ALA 52 Ca 0.17 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1pou n ALA 52 Cb 0.29 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.63 -3.59 0.04 0.00 4.77 0.97 -4.93 117.00 112.64 1pou n LEU 53 Ca 0.05 -0.63 -0.08 0.00 -0.03 0.00 0.00 56.01 55.32 1pou n LEU 53 Cb 0.27 -3.00 -0.13 0.00 -2.33 0.00 0.00 43.42 38.23 1pou n LEU 53 CO 0.21 0.49 -0.03 -1.13 -1.33 0.00 0.00 177.39 175.60 1pou h ASN 54 N -2.20 0.03 -0.02 -1.43 -0.00 -0.99 -3.40 115.58 107.57 1pou h ASN 54 Ca -0.58 -0.04 -0.16 0.00 -0.00 0.00 0.00 56.30 55.52 1pou h ASN 54 Cb 1.36 -0.01 -0.06 0.00 -0.00 0.00 0.00 38.32 39.61 1pou h ASN 54 CO 0.54 1.03 -0.29 0.18 -0.00 0.00 0.00 177.43 178.90 1pou n LEU 55 N -3.30 5.29 0.00 0.34 4.77 -1.25 -4.90 117.00 117.95 1pou n LEU 55 Ca -0.05 -3.04 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1pou n LEU 55 Cb 0.97 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1pou n LEU 55 CO 0.47 1.56 0.00 -1.20 -1.33 0.00 0.00 177.39 176.89 1pou n SER 56 N 2.25 0.00 0.00 -1.43 7.64 -1.26 -3.47 113.62 117.35 1pou n SER 56 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1pou n SER 56 Cb 0.83 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 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 0.00 0.00 -0.27 1.43 7.35 -1.26 -4.58 117.46 120.13 1pou n PHE 57 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 1pou n PHE 57 Cb 0.00 0.00 0.08 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 -0.02 0.02 -4.13 2.10 -2.01 0.43 116.57 112.97 1pou h LYS 58 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1pou h LYS 58 Cb 0.00 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.34 1pou h LYS 58 CO 0.00 -0.01 -0.34 -0.97 -2.00 0.00 0.00 179.45 176.13 1pou h ASN 59 N -0.02 0.26 -0.83 7.07 -0.00 -1.80 -3.36 115.58 116.91 1pou h ASN 59 Ca 0.36 -0.84 0.21 0.00 -0.00 0.00 0.00 56.30 56.03 1pou h ASN 59 Cb 0.57 -0.08 -0.14 0.00 -0.00 0.00 0.00 38.32 38.67 1pou h ASN 59 CO -0.80 1.07 0.11 0.24 -0.00 0.00 0.00 177.43 178.05 1pou h MET 60 N -0.51 0.14 0.00 6.67 2.86 -1.18 0.11 114.93 123.02 1pou h MET 60 Ca -0.05 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1pou h MET 60 Cb 1.14 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1pou h MET 60 CO 0.07 0.09 -0.07 0.00 1.06 0.00 0.00 176.91 178.06 1pou n LYS 62 N -3.41 0.63 -0.31 0.00 4.76 -0.14 -4.44 118.16 115.25 1pou n LYS 62 Ca -0.02 0.48 0.02 0.00 -2.87 0.00 0.00 58.31 55.93 1pou n LYS 62 Cb 0.21 -1.73 0.22 0.00 -1.84 0.00 0.00 35.03 31.88 1pou n LYS 62 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1pou h LEU 63 N -0.66 0.95 0.66 -0.35 5.85 -0.37 -1.24 115.31 120.15 1pou h LEU 63 Ca -0.38 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 1pou h LEU 63 Cb 1.54 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.37 1pou h LEU 63 CO -0.12 0.64 -0.32 0.50 -0.34 0.00 0.00 178.44 178.80 1pou h LYS 64 N 1.09 -0.85 -1.00 1.25 3.11 -0.67 0.11 116.57 119.60 1pou h LYS 64 Ca 0.37 0.06 0.05 0.00 -2.81 0.00 0.00 60.65 58.32 1pou h LYS 64 Cb 0.09 0.19 -0.06 0.00 -1.00 0.00 0.00 32.23 31.45 1pou h LYS 64 CO -0.12 -0.57 0.65 -1.00 -2.81 0.00 0.00 179.45 175.60 1pou h PRO 65 N -0.94 1.20 0.18 1.90 0.13 -1.76 0.15 132.00 132.86 1pou h PRO 65 Ca -0.09 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 1pou h PRO 65 Cb 0.68 -0.27 -0.04 0.00 0.13 0.00 0.00 31.00 31.50 1pou h PRO 65 CO 0.15 0.79 -0.40 1.25 -0.23 0.00 0.00 178.00 179.56 1pou h LEU 66 N 1.23 -1.15 -0.79 1.56 6.46 -1.11 0.11 115.31 121.62 1pou h LEU 66 Ca 0.41 0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 58.17 1pou h LEU 66 Cb 0.07 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1pou h LEU 66 CO -0.14 -0.49 -0.42 -0.07 -0.62 0.00 0.00 178.44 176.69 1pou h LEU 67 N -0.67 0.42 -0.12 2.25 3.38 -0.57 -1.40 115.31 118.59 1pou h LEU 67 Ca 0.01 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1pou h LEU 67 Cb 0.68 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1pou h LEU 67 CO -0.19 0.79 0.01 -0.08 0.09 0.00 0.00 178.44 179.06 1pou h GLU 68 N 0.33 0.06 -0.54 1.13 4.22 -0.37 0.19 114.58 119.60 1pou h GLU 68 Ca 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 1pou h GLU 68 Cb 0.88 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1pou h GLU 68 CO 0.07 0.04 0.26 0.87 -2.18 0.00 0.00 179.01 178.07 1pou h LYS 69 N 0.06 0.77 -0.37 1.92 1.57 -0.60 0.61 116.57 120.53 1pou h LYS 69 Ca 0.06 -0.11 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1pou h LYS 69 Cb 0.06 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.16 1pou h LYS 69 CO -0.09 0.63 -0.05 2.35 -0.57 0.00 0.00 179.45 181.73 1pou h TRP 70 N 0.73 -0.12 0.06 -1.35 7.01 -0.97 0.65 115.95 121.95 1pou h TRP 70 Ca 0.19 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1pou h TRP 70 Cb 0.11 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1pou h TRP 70 CO -0.01 -0.12 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.42 1pou h LEU 71 N 0.04 -0.07 -0.06 0.65 3.38 0.19 0.97 115.31 120.41 1pou h LEU 71 Ca 0.18 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1pou h LEU 71 Cb 0.27 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1pou h LEU 71 CO -0.35 0.01 -0.21 -1.13 0.09 0.00 0.00 178.44 176.85 1pou h ASN 72 N -0.14 -0.62 -0.02 -0.43 -0.73 -0.73 0.11 115.58 113.02 1pou h ASN 72 Ca -0.01 0.10 0.02 0.00 1.87 0.00 0.00 56.30 58.28 1pou h ASN 72 Cb 0.11 0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.94 1pou h ASN 72 CO 0.01 -0.26 -0.13 -0.78 -0.37 0.00 0.00 177.43 175.90 1pou h ASP 73 N -0.29 -0.39 -0.18 1.15 1.82 -0.56 -2.68 116.42 115.29 1pou h ASP 73 Ca 0.08 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1pou h ASP 73 Cb 0.41 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.56 1pou h ASP 73 CO -0.24 -0.18 0.01 0.00 -1.61 0.00 0.00 179.24 177.22 1pou h ALA 74 N 0.76 0.16 0.00 -0.78 0.00 -0.63 -3.51 119.26 115.27 1pou h ALA 74 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pou h ALA 74 Cb 0.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pou h ALA 74 CO -0.15 -0.43 0.00 0.39 0.00 0.00 0.00 179.25 179.07