#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 0.54 -0.48 -2.67 4.07 -2.04 0.33 115.31 115.06 1pou h LEU 6 Ca 0.00 0.11 0.08 0.00 0.08 0.00 0.00 57.88 58.15 1pou h LEU 6 Cb 0.00 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.71 1pou h LEU 6 CO 0.00 0.17 0.10 -0.33 -1.08 0.00 0.00 178.44 177.30 1pou h GLU 7 N 0.59 0.23 -0.44 1.13 5.08 -2.05 0.11 114.58 119.23 1pou h GLU 7 Ca 0.52 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.81 1pou h GLU 7 Cb 0.85 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1pou h GLU 7 CO -0.42 0.15 0.05 0.93 -1.00 0.00 0.00 179.01 178.72 1pou h GLU 8 N 0.24 0.74 -0.39 2.33 5.08 -0.88 0.54 114.58 122.24 1pou h GLU 8 Ca 0.24 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1pou h GLU 8 Cb 0.31 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1pou h GLU 8 CO -0.31 0.78 0.16 -0.07 -1.00 0.00 0.00 179.01 178.58 1pou h LEU 9 N 0.59 0.21 0.65 1.33 3.38 -0.55 0.19 115.31 121.11 1pou h LEU 9 Ca 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1pou h LEU 9 Cb 0.42 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pou h LEU 9 CO 0.01 0.16 -0.31 -0.08 0.09 0.00 0.00 178.44 178.31 1pou h GLU 10 N 0.34 -0.85 -0.12 1.13 4.57 -0.47 0.14 114.58 119.31 1pou h GLU 10 Ca 0.18 0.06 0.05 0.00 -1.18 0.00 0.00 59.36 58.46 1pou h GLU 10 Cb 0.13 0.19 -0.06 0.00 -0.16 0.00 0.00 28.75 28.85 1pou h GLU 10 CO -0.16 -0.55 -0.28 1.96 -1.18 0.00 0.00 179.01 178.80 1pou h GLN 11 N -0.91 -0.34 -0.26 1.92 4.20 -0.82 -1.08 115.11 117.82 1pou h GLN 11 Ca -0.09 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.69 1pou h GLN 11 Cb 0.68 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1pou h GLN 11 CO 0.15 -0.23 -0.06 0.35 -0.67 0.00 0.00 178.83 178.37 1pou h PHE 12 N -0.35 -0.12 -0.05 2.96 3.57 -0.55 0.16 116.94 122.55 1pou h PHE 12 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1pou h PHE 12 Cb 0.50 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.29 1pou h PHE 12 CO -0.37 -0.10 -0.20 0.00 -2.23 0.00 0.00 178.31 175.41 1pou h ALA 13 N 1.25 -0.21 -0.86 2.41 0.00 -0.09 0.32 119.26 122.08 1pou h ALA 13 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pou h ALA 13 Cb 0.19 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1pou h ALA 13 CO -0.26 -0.68 0.55 0.87 0.00 0.00 0.00 179.25 179.73 1pou h LYS 14 N -0.30 1.14 -0.36 0.00 6.56 -0.89 -1.30 116.57 121.43 1pou h LYS 14 Ca 0.08 -0.08 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 1pou h LYS 14 Cb 0.40 -0.25 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1pou h LYS 14 CO -0.23 0.77 0.06 1.15 -2.06 0.00 0.00 179.45 179.15 1pou h THR 15 N 1.17 1.24 -0.08 -0.16 2.02 0.18 -0.67 112.91 116.61 1pou h THR 15 Ca 0.31 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1pou h THR 15 Cb -0.10 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1pou h THR 15 CO -0.06 0.29 -0.26 0.15 0.37 0.00 0.00 175.52 176.00 1pou h PHE 16 N 0.44 -0.71 -0.11 3.16 3.57 -0.03 0.67 116.94 123.94 1pou h PHE 16 Ca 0.11 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1pou h PHE 16 Cb 0.36 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1pou h PHE 16 CO 0.02 -0.35 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.36 1pou h LYS 17 N -0.36 -0.22 0.20 1.11 3.64 -1.06 0.12 116.57 119.99 1pou h LYS 17 Ca 0.08 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1pou h LYS 17 Cb 0.49 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1pou h LYS 17 CO -0.28 -0.15 -0.24 1.96 -2.27 0.00 0.00 179.45 178.47 1pou h GLN 18 N -0.23 -0.47 -0.28 1.90 4.20 -0.67 0.37 115.11 119.92 1pou h GLN 18 Ca 0.09 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1pou h GLN 18 Cb 0.36 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1pou h GLN 18 CO -0.24 -0.31 0.08 0.00 -0.67 0.00 0.00 178.83 177.68 1pou h ARG 19 N -0.49 0.19 -0.44 1.46 3.08 -0.70 0.44 114.38 117.93 1pou h ARG 19 Ca 0.01 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.13 1pou h ARG 19 Cb 0.47 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 1pou h ARG 19 CO -0.08 0.13 -0.13 -0.09 -1.07 0.00 0.00 179.97 178.72 1pou h ARG 20 N 0.20 -0.03 -0.07 0.04 2.43 -0.50 0.10 114.38 116.55 1pou h ARG 20 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1pou h ARG 20 Cb 0.11 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1pou h ARG 20 CO -0.15 -0.02 0.04 0.82 -1.51 0.00 0.00 179.97 179.16 1pou h ILE 21 N -0.03 1.05 -0.82 1.20 2.04 -0.35 -0.51 117.51 120.09 1pou h ILE 21 Ca 0.21 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1pou h ILE 21 Cb 0.35 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1pou h ILE 21 CO -0.47 0.04 0.47 0.11 0.00 0.00 0.00 178.15 178.31 1pou h LYS 22 N 0.06 0.78 0.00 2.37 1.79 -0.20 0.16 116.57 121.53 1pou h LYS 22 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pou h LYS 22 Cb 0.03 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1pou h LYS 22 CO -0.00 0.52 0.00 -0.07 -1.08 0.00 0.00 179.45 178.81 1pou h LEU 23 N 0.80 0.00 1.18 2.94 3.38 -0.53 -3.46 115.31 119.62 1pou h LEU 23 Ca 0.39 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.12 1pou h LEU 23 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1pou h LEU 23 CO -0.24 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.64 1pou n GLY 24 N -0.16 0.49 3.47 0.83 0.00 0.55 -4.95 105.19 105.41 1pou n GLY 24 Ca 0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.52 2.91 0.94 1.61 0.08 -0.32 -5.00 117.98 115.67 1pou s PHE 25 Ca 0.00 -1.09 -0.13 0.00 0.12 0.00 0.00 56.93 55.83 1pou s PHE 25 Cb 0.00 -4.36 0.02 0.00 -0.57 0.00 0.00 43.02 38.11 1pou s PHE 25 CO 0.00 -1.61 0.37 0.25 -0.10 0.00 0.00 175.22 174.13 1pou n THR 26 N 5.84 0.14 -0.33 0.64 -2.24 -1.26 -4.52 114.28 112.54 1pou n THR 26 Ca 0.19 -0.22 0.16 0.00 -2.27 0.00 0.00 64.05 61.91 1pou n THR 26 Cb 0.49 -0.61 0.39 0.00 -2.10 0.00 0.00 70.33 68.50 1pou n THR 26 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1pou h GLN 27 N -1.45 0.60 0.23 -0.78 -0.00 -1.94 0.10 115.11 111.88 1pou h GLN 27 Ca -0.44 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.19 1pou h GLN 27 Cb 1.29 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.48 28.60 1pou h GLN 27 CO 0.34 0.40 -0.40 0.78 -0.00 0.00 0.00 178.83 179.95 1pou h GLY 28 N 0.62 -0.88 0.27 0.06 0.00 -1.89 0.16 103.07 101.41 1pou h GLY 28 Ca 0.58 0.48 0.05 0.00 0.00 0.00 0.00 47.33 48.44 1pou h GLY 28 CO -0.35 -0.29 -0.22 -1.80 0.00 0.00 0.00 176.54 173.88 1pou h ASP 29 N -0.71 -0.70 0.30 0.19 1.82 -1.36 0.49 116.42 116.45 1pou h ASP 29 Ca -0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1pou h ASP 29 Cb 0.69 0.32 -0.03 0.00 0.68 0.00 0.00 39.33 41.00 1pou h ASP 29 CO -0.17 -0.27 -0.34 0.58 -1.61 0.00 0.00 179.24 177.43 1pou h VAL 30 N -0.26 0.29 -0.58 2.25 2.07 -0.76 0.45 116.25 119.71 1pou h VAL 30 Ca 0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.75 1pou h VAL 30 Cb 0.43 0.29 -0.10 0.00 -1.52 0.00 0.00 31.29 30.40 1pou h VAL 30 CO -0.33 0.00 -0.04 1.23 0.02 0.00 0.00 177.57 178.45 1pou h GLY 31 N -0.69 0.56 0.83 2.17 0.00 -0.38 0.18 103.07 105.74 1pou h GLY 31 Ca -0.01 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 1pou h GLY 31 CO -0.09 -0.20 -0.20 -2.00 0.00 0.00 0.00 176.54 174.06 1pou h LEU 32 N 0.08 -0.46 -0.21 3.11 5.85 -0.54 0.31 115.31 123.45 1pou h LEU 32 Ca 0.30 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1pou h LEU 32 Cb 0.47 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1pou h LEU 32 CO -0.53 -0.19 0.04 0.00 -0.34 0.00 0.00 178.44 177.42 1pou h ALA 33 N -0.21 0.21 -0.98 1.25 0.00 -0.62 -0.24 119.26 118.66 1pou h ALA 33 Ca -0.06 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1pou h ALA 33 Cb 0.51 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1pou h ALA 33 CO 0.09 -0.39 0.64 0.52 0.00 0.00 0.00 179.25 180.11 1pou h MET 34 N 0.12 1.18 -0.45 0.00 2.86 -0.63 0.15 114.93 118.16 1pou h MET 34 Ca 0.09 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1pou h MET 34 Cb 0.09 -0.27 -0.10 0.00 0.06 0.00 0.00 31.60 31.39 1pou h MET 34 CO -0.13 0.78 -0.39 0.78 1.06 0.00 0.00 176.91 179.01 1pou h GLY 35 N 1.21 -0.42 0.95 8.32 0.00 0.94 0.48 103.07 114.56 1pou h GLY 35 Ca 0.40 0.51 -0.00 0.00 0.00 0.00 0.00 47.33 48.23 1pou h GLY 35 CO -0.14 -0.19 0.09 0.50 0.00 0.00 0.00 176.54 176.80 1pou h LYS 36 N -0.28 0.23 0.00 4.80 1.79 -0.11 -3.26 116.57 119.74 1pou h LYS 36 Ca 0.16 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.41 1pou h LYS 36 Cb 0.57 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1pou h LYS 36 CO -0.59 0.22 -0.97 -0.07 -1.08 0.00 0.00 179.45 176.96 1pou h LEU 37 N 0.17 0.00 0.00 2.94 3.38 -0.56 -3.45 115.31 117.79 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 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pou h LEU 37 CO -0.01 0.89 0.00 -1.22 0.09 0.00 0.00 178.44 178.19 1pou n TYR 38 N -3.29 -2.32 0.00 1.13 4.02 0.13 -5.06 117.16 111.77 1pou n TYR 38 Ca -0.01 0.51 0.00 0.00 -0.01 0.00 0.00 57.90 58.39 1pou n TYR 38 Cb 0.91 1.17 0.00 0.00 -0.02 0.00 0.00 39.34 41.40 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 0.73 1.94 2.39 2.72 0.00 0.97 -4.93 105.19 109.00 1pou n GLY 39 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 8.15 -2.75 1.61 5.15 -1.26 -3.30 115.26 122.85 1pou n ASN 40 Ca 0.00 -2.72 0.00 0.00 -0.60 0.00 0.00 54.58 51.26 1pou n ASN 40 Cb 0.00 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.72 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 3.42 0.00 -2.07 1.20 -0.08 -1.26 -4.75 116.55 113.00 1pou n ASP 41 Ca 0.73 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.84 1pou n ASP 41 Cb 0.25 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.71 1pou n ASP 41 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1pou n PHE 42 N 0.00 -1.06 -0.95 -0.67 3.72 -1.26 -4.38 117.46 112.86 1pou n PHE 42 Ca 0.00 0.15 -0.20 0.00 -0.05 0.00 0.00 57.45 57.36 1pou n PHE 42 Cb 0.00 -3.50 -0.09 0.00 -0.94 0.00 0.00 39.48 34.95 1pou n PHE 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pou n SER 43 N -1.30 5.64 0.00 4.37 3.41 -1.26 -4.29 113.62 120.19 1pou n SER 43 Ca -0.16 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 1pou n SER 43 Cb 0.63 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1pou n SER 43 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1pou n GLN 44 N 3.10 0.00 0.00 4.33 -0.06 -1.26 -4.60 117.38 118.88 1pou n GLN 44 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1pou n GLN 44 Cb 0.53 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.71 1pou n GLN 44 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1pou n THR 45 N 0.00 0.00 -0.30 1.69 -2.24 -1.26 -0.58 114.28 111.59 1pou n THR 45 Ca 0.00 0.56 0.12 0.00 -2.27 0.00 0.00 64.05 62.46 1pou n THR 45 Cb 0.00 -0.77 0.36 0.00 -2.10 0.00 0.00 70.33 67.82 1pou n THR 45 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1pou h THR 46 N 0.00 0.81 -0.01 4.28 2.02 -1.89 0.23 112.91 118.35 1pou h THR 46 Ca 0.00 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1pou h THR 46 Cb 0.00 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1pou h THR 46 CO 0.00 0.13 -0.10 0.40 0.37 0.00 0.00 175.52 176.32 1pou h ILE 47 N 0.73 1.57 -0.39 3.11 1.08 -1.18 0.13 117.51 122.56 1pou h ILE 47 Ca 0.48 -1.80 0.07 0.00 -0.39 0.00 0.00 64.86 63.21 1pou h ILE 47 Cb 0.76 2.74 -0.06 0.00 -3.07 0.00 0.00 36.82 37.19 1pou h ILE 47 CO -0.24 0.48 0.01 0.28 -0.69 0.00 0.00 178.15 177.99 1pou h SER 48 N -0.63 -0.14 -0.94 1.72 0.02 -0.45 -0.71 113.55 112.44 1pou h SER 48 Ca -0.01 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1pou h SER 48 Cb 0.84 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 1pou h SER 48 CO 0.02 -0.03 0.61 0.03 -1.14 0.00 0.00 176.83 176.32 1pou h ARG 49 N 0.12 1.14 0.47 3.45 3.08 -0.56 0.19 114.38 122.27 1pou h ARG 49 Ca 0.19 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1pou h ARG 49 Cb 0.26 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1pou h ARG 49 CO -0.31 0.75 -0.34 0.35 -1.07 0.00 0.00 179.97 179.35 1pou h PHE 50 N 1.17 -0.91 0.00 3.04 3.57 0.24 0.90 116.94 124.94 1pou h PHE 50 Ca 0.38 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1pou h PHE 50 Cb 0.02 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1pou h PHE 50 CO -0.01 -0.51 -0.15 0.93 -2.23 0.00 0.00 178.31 176.35 1pou h GLU 51 N -0.80 0.00 0.00 1.11 3.07 -0.82 0.20 114.58 117.35 1pou h GLU 51 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1pou h GLU 51 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1pou h GLU 51 CO 0.02 0.15 0.00 0.00 -1.40 0.00 0.00 179.01 177.77 1pou n ALA 52 N -2.30 2.23 -4.03 3.43 0.00 0.65 -4.90 120.51 115.60 1pou n ALA 52 Ca -0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 1pou n ALA 52 Cb 0.27 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.26 -2.21 0.10 0.00 7.99 0.72 -4.91 117.00 117.43 1pou n LEU 53 Ca 0.12 -0.91 -0.15 0.00 -0.01 0.00 0.00 56.01 55.06 1pou n LEU 53 Cb 0.18 -2.33 -0.14 0.00 -0.11 0.00 0.00 43.42 41.02 1pou n LEU 53 CO 0.18 0.39 -0.03 -1.13 -1.51 0.00 0.00 177.39 175.29 1pou h ASN 54 N -1.81 0.40 -0.04 -1.43 -0.73 -1.07 -3.39 115.58 107.51 1pou h ASN 54 Ca -0.59 -0.43 -0.30 0.00 1.87 0.00 0.00 56.30 56.85 1pou h ASN 54 Cb 1.38 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 39.78 1pou h ASN 54 CO 0.70 1.33 0.52 0.18 -0.37 0.00 0.00 177.43 179.79 1pou n LEU 55 N -3.53 6.02 -0.89 0.34 4.77 -1.26 -4.89 117.00 117.56 1pou n LEU 55 Ca -0.08 -3.46 -0.02 0.00 -0.03 0.00 0.00 56.01 52.42 1pou n LEU 55 Cb 1.01 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 1pou n LEU 55 CO 0.53 1.78 0.33 -1.20 -1.33 0.00 0.00 177.39 177.51 1pou n SER 56 N 2.67 -0.36 0.00 -1.43 7.64 -1.26 -3.50 113.62 117.38 1pou n SER 56 Ca 0.51 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1pou n SER 56 Cb 0.76 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 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 1.05 0.00 -0.29 1.43 7.35 -1.26 -4.57 117.46 121.17 1pou n PHE 57 Ca 0.08 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.78 1pou n PHE 57 Cb 0.06 0.00 0.09 0.00 0.35 0.00 0.00 39.48 39.98 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 0.03 -4.13 2.10 -2.01 0.13 116.57 112.68 1pou h LYS 58 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 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 -0.42 -0.97 -2.00 0.00 0.00 179.45 176.04 1pou h ASN 59 N -0.02 0.31 -0.83 7.07 -0.00 -1.80 -3.37 115.58 116.93 1pou h ASN 59 Ca 0.37 -0.85 0.21 0.00 -0.00 0.00 0.00 56.30 56.03 1pou h ASN 59 Cb 0.60 -0.10 -0.13 0.00 -0.00 0.00 0.00 38.32 38.69 1pou h ASN 59 CO -0.85 1.13 0.22 0.24 -0.00 0.00 0.00 177.43 178.17 1pou h MET 60 N -0.47 0.23 0.00 6.67 2.86 -1.15 0.12 114.93 123.19 1pou h MET 60 Ca -0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1pou h MET 60 Cb 1.22 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1pou h MET 60 CO 0.08 0.15 -0.05 0.00 1.06 0.00 0.00 176.91 178.16 1pou h LYS 62 N 0.00 0.00 -0.81 0.00 1.57 -1.16 -3.40 116.57 112.77 1pou h LYS 62 Ca -0.00 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 1pou h LYS 62 Cb 0.26 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.44 1pou h LYS 62 CO 0.01 0.81 0.18 1.25 -0.57 0.00 0.00 179.45 181.12 1pou h LEU 63 N -1.00 -0.05 0.49 2.94 5.85 -0.46 0.03 115.31 123.11 1pou h LEU 63 Ca -0.27 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1pou h LEU 63 Cb 1.13 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1pou h LEU 63 CO -0.16 -0.11 -0.23 0.50 -0.34 0.00 0.00 178.44 178.09 1pou h LYS 64 N 0.22 -0.63 -0.97 1.25 3.11 -0.79 0.98 116.57 119.74 1pou h LYS 64 Ca 0.48 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.45 1pou h LYS 64 Cb 0.89 0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 32.19 1pou h LYS 64 CO -0.60 -0.42 0.63 -1.00 -2.81 0.00 0.00 179.45 175.24 1pou h PRO 65 N -0.76 1.02 0.22 1.90 0.13 -1.75 0.18 132.00 132.94 1pou h PRO 65 Ca -0.07 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1pou h PRO 65 Cb 0.50 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 31.36 1pou h PRO 65 CO 0.11 0.68 -0.42 1.25 -0.23 0.00 0.00 178.00 179.39 1pou h LEU 66 N 1.05 -1.21 -0.85 1.56 6.46 -0.89 0.11 115.31 121.54 1pou h LEU 66 Ca 0.44 0.12 -0.12 0.00 -0.12 0.00 0.00 57.88 58.21 1pou h LEU 66 Cb 0.31 0.44 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1pou h LEU 66 CO -0.20 -0.52 -0.53 -0.07 -0.62 0.00 0.00 178.44 176.50 1pou h LEU 67 N -0.72 0.12 -0.32 2.25 3.38 -0.50 -0.61 115.31 118.91 1pou h LEU 67 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1pou h LEU 67 Cb 0.71 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pou h LEU 67 CO -0.18 0.63 0.14 -0.08 0.09 0.00 0.00 178.44 179.03 1pou h GLU 68 N 0.08 0.47 -0.52 1.13 4.81 -0.33 0.25 114.58 120.47 1pou h GLU 68 Ca -0.00 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1pou h GLU 68 Cb 0.97 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1pou h GLU 68 CO 0.08 0.46 0.04 -0.22 -0.73 0.00 0.00 179.01 178.63 1pou h LYS 69 N 0.37 0.90 -0.58 1.92 1.63 -0.58 0.53 116.57 120.75 1pou h LYS 69 Ca 0.11 -0.26 0.10 0.00 -0.85 0.00 0.00 60.65 59.75 1pou h LYS 69 Cb 0.15 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.61 1pou h LYS 69 CO -0.01 0.90 0.14 2.35 -3.45 0.00 0.00 179.45 179.38 1pou h TRP 70 N 0.77 0.23 -0.28 1.91 7.01 -0.88 0.06 115.95 124.77 1pou h TRP 70 Ca 0.15 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1pou h TRP 70 Cb 0.47 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1pou h TRP 70 CO 0.03 -0.00 0.13 -0.07 -2.79 0.00 0.00 178.44 175.74 1pou h LEU 71 N 0.28 0.36 -0.26 0.65 3.38 0.23 0.16 115.31 120.11 1pou h LEU 71 Ca 0.30 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1pou h LEU 71 Cb 0.43 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1pou h LEU 71 CO -0.37 0.39 -0.19 -1.13 0.09 0.00 0.00 178.44 177.23 1pou h ASN 72 N 0.31 -0.63 0.37 -0.43 -0.73 -0.50 0.34 115.58 114.31 1pou h ASN 72 Ca 0.09 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1pou h ASN 72 Cb 0.12 0.31 -0.01 0.00 0.27 0.00 0.00 38.32 39.02 1pou h ASN 72 CO -0.01 -0.23 -0.23 -0.78 -0.37 0.00 0.00 177.43 175.81 1pou h ASP 73 N -0.18 -0.58 -0.11 1.15 3.58 -0.53 -3.20 116.42 116.55 1pou h ASP 73 Ca 0.14 0.04 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 1pou h ASP 73 Cb 0.40 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1pou h ASP 73 CO -0.37 -0.36 -0.40 0.00 -2.88 0.00 0.00 179.24 175.23 1pou h ALA 74 N 0.03 0.80 0.00 -0.78 0.00 -0.53 -3.51 119.26 115.26 1pou h ALA 74 Ca -0.04 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pou h ALA 74 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pou h ALA 74 CO 0.04 0.65 0.00 -1.91 0.00 0.00 0.00 179.25 178.03