#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 0.50 -0.98 -2.67 4.07 -2.04 0.10 115.31 114.28 1pou h LEU 6 Ca 0.00 0.17 0.25 0.00 0.08 0.00 0.00 57.88 58.39 1pou h LEU 6 Cb 0.00 0.12 -0.13 0.00 1.08 0.00 0.00 40.66 41.73 1pou h LEU 6 CO 0.00 -0.06 0.55 -0.33 -1.08 0.00 0.00 178.44 177.51 1pou h GLU 7 N 0.39 0.48 -0.45 1.13 5.08 -2.05 0.28 114.58 119.44 1pou h GLU 7 Ca 0.68 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.97 1pou h GLU 7 Cb 1.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1pou h GLU 7 CO -0.57 0.32 0.12 0.93 -1.00 0.00 0.00 179.01 178.81 1pou h GLU 8 N 0.50 0.72 -0.06 2.33 5.08 -1.23 -2.74 114.58 119.18 1pou h GLU 8 Ca 0.64 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.83 1pou h GLU 8 Cb 1.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1pou h GLU 8 CO -0.51 0.70 0.00 -0.07 -1.00 0.00 0.00 179.01 178.13 1pou h LEU 9 N 0.60 0.10 0.44 1.33 3.38 -0.54 0.14 115.31 120.76 1pou h LEU 9 Ca 0.14 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1pou h LEU 9 Cb 0.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pou h LEU 9 CO -0.00 0.37 -0.23 1.05 0.09 0.00 0.00 178.44 179.72 1pou h GLU 10 N -0.18 -0.60 -0.16 1.13 4.11 -1.15 0.15 114.58 117.88 1pou h GLU 10 Ca 0.02 0.04 0.04 0.00 0.07 0.00 0.00 59.36 59.53 1pou h GLU 10 Cb 0.32 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1pou h GLU 10 CO 0.00 -0.40 -0.11 1.96 0.07 0.00 0.00 179.01 180.54 1pou h GLN 11 N -0.62 -0.10 -0.28 1.06 4.20 -1.47 -0.51 115.11 117.39 1pou h GLN 11 Ca -0.06 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.71 1pou h GLN 11 Cb 0.49 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.24 1pou h GLN 11 CO 0.09 -0.07 -0.04 0.35 -0.67 0.00 0.00 178.83 178.48 1pou h PHE 12 N -0.11 -0.10 -0.10 2.96 3.57 -0.60 0.11 116.94 122.68 1pou h PHE 12 Ca 0.10 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1pou h PHE 12 Cb 0.25 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1pou h PHE 12 CO -0.25 -0.09 -0.11 0.00 -2.23 0.00 0.00 178.31 175.63 1pou h ALA 13 N 1.26 -0.04 -0.62 2.41 0.00 -0.11 0.34 119.26 122.50 1pou h ALA 13 Ca 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1pou h ALA 13 Cb 0.19 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1pou h ALA 13 CO -0.26 -0.57 0.29 0.87 0.00 0.00 0.00 179.25 179.57 1pou h LYS 14 N -0.15 0.90 -0.48 0.00 1.57 -0.81 0.34 116.57 117.94 1pou h LYS 14 Ca 0.07 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pou h LYS 14 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1pou h LYS 14 CO -0.18 0.73 0.28 1.15 -0.57 0.00 0.00 179.45 180.86 1pou h THR 15 N 0.85 1.15 -0.35 -0.16 2.02 -0.39 -0.56 112.91 115.48 1pou h THR 15 Ca 0.21 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1pou h THR 15 Cb 0.14 0.52 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 1pou h THR 15 CO -0.02 0.16 0.06 0.15 0.37 0.00 0.00 175.52 176.23 1pou h PHE 16 N 0.64 0.10 -0.61 3.16 3.57 0.09 0.50 116.94 124.38 1pou h PHE 16 Ca 0.17 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1pou h PHE 16 Cb 0.00 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1pou h PHE 16 CO -0.03 0.01 0.28 -0.22 -2.23 0.00 0.00 178.31 176.13 1pou h LYS 17 N 0.18 0.50 -0.10 1.11 3.64 -0.47 0.14 116.57 121.57 1pou h LYS 17 Ca 0.16 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1pou h LYS 17 Cb 0.19 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1pou h LYS 17 CO -0.22 0.33 0.03 1.96 -2.27 0.00 0.00 179.45 179.27 1pou h GLN 18 N 0.51 0.07 -0.47 1.90 1.08 0.29 0.12 115.11 118.62 1pou h GLN 18 Ca 0.29 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.55 1pou h GLN 18 Cb 0.28 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.64 1pou h GLN 18 CO -0.24 0.05 0.15 0.00 -0.95 0.00 0.00 178.83 177.84 1pou h ARG 19 N 0.07 0.30 -0.56 1.46 2.47 -0.49 0.79 114.38 118.43 1pou h ARG 19 Ca 0.04 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.78 1pou h ARG 19 Cb 0.02 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 1pou h ARG 19 CO -0.05 0.20 0.31 -0.09 0.56 0.00 0.00 179.97 180.91 1pou h ARG 20 N 0.31 0.59 -0.29 0.04 2.43 -0.31 0.50 114.38 117.65 1pou h ARG 20 Ca 0.22 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1pou h ARG 20 Cb 0.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1pou h ARG 20 CO -0.24 0.39 0.15 0.82 -1.51 0.00 0.00 179.97 179.57 1pou h ILE 21 N 0.60 1.14 -0.92 1.20 2.04 -0.15 -0.40 117.51 121.02 1pou h ILE 21 Ca 0.24 -0.38 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1pou h ILE 21 Cb 0.09 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1pou h ILE 21 CO -0.13 0.14 0.58 0.11 0.00 0.00 0.00 178.15 178.85 1pou h LYS 22 N 0.34 1.03 0.00 2.37 1.79 -0.29 0.20 116.57 122.01 1pou h LYS 22 Ca 0.10 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1pou h LYS 22 Cb 0.09 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1pou h LYS 22 CO -0.01 0.68 0.00 1.28 -1.08 0.00 0.00 179.45 180.32 1pou n LEU 23 N -4.57 0.48 -1.35 2.94 4.77 0.11 -4.89 117.00 114.50 1pou n LEU 23 Ca 0.14 0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 56.62 1pou n LEU 23 Cb 0.18 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1pou n LEU 23 CO 0.32 -0.51 -0.15 0.61 -1.33 0.00 0.00 177.39 176.32 1pou n GLY 24 N -0.13 -0.04 3.88 -0.72 0.00 0.69 -5.01 105.19 103.85 1pou n GLY 24 Ca 0.02 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.59 3.59 0.22 1.61 0.08 -0.28 -5.01 117.98 115.60 1pou s PHE 25 Ca 0.00 0.62 -0.17 0.00 0.12 0.00 0.00 56.93 57.50 1pou s PHE 25 Cb 0.00 -2.02 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 1pou s PHE 25 CO 0.00 0.62 0.82 -2.37 -0.10 0.00 0.00 175.22 174.19 1pou n THR 26 N 1.26 0.00 0.00 0.64 5.66 -1.26 -4.48 114.28 116.09 1pou n THR 26 Ca -0.12 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 1pou n THR 26 Cb 0.53 0.73 0.00 0.00 -1.55 0.00 0.00 70.33 70.04 1pou n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pou n GLN 27 N -0.57 0.00 -0.18 1.09 1.13 -1.26 -0.66 117.38 116.94 1pou n GLN 27 Ca -0.04 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.08 1pou n GLN 27 Cb 0.50 0.00 0.15 0.00 0.11 0.00 0.00 30.24 31.00 1pou n GLN 27 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1pou n GLY 28 N 0.00 2.88 0.43 1.08 0.00 -1.26 -0.71 105.19 107.61 1pou n GLY 28 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 1pou n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pou h ASP 29 N 1.82 -0.93 -0.97 1.61 1.82 -1.28 0.13 116.42 118.62 1pou h ASP 29 Ca 0.00 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1pou h ASP 29 Cb 0.76 0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.95 1pou h ASP 29 CO 0.01 -0.66 0.63 0.58 -1.61 0.00 0.00 179.24 178.19 1pou h VAL 30 N -1.10 1.17 -0.46 2.25 2.07 -1.84 -0.44 116.25 117.89 1pou h VAL 30 Ca -0.11 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.06 1pou h VAL 30 Cb 0.84 -0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.35 1pou h VAL 30 CO 0.18 0.22 -0.46 1.23 0.02 0.00 0.00 177.57 178.77 1pou h GLY 31 N 1.23 -0.63 1.00 2.17 0.00 -1.14 0.40 103.07 106.10 1pou h GLY 31 Ca 0.39 0.59 -0.00 0.00 0.00 0.00 0.00 47.33 48.31 1pou h GLY 31 CO -0.12 -0.16 0.40 -2.00 0.00 0.00 0.00 176.54 174.66 1pou h LEU 32 N -0.31 0.77 -1.26 3.11 5.85 -0.16 0.13 115.31 123.44 1pou h LEU 32 Ca 0.14 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1pou h LEU 32 Cb 0.58 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1pou h LEU 32 CO -0.61 0.60 0.51 0.00 -0.34 0.00 0.00 178.44 178.59 1pou h ALA 33 N 1.21 1.49 -0.25 1.25 0.00 0.14 0.81 119.26 123.90 1pou h ALA 33 Ca 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1pou h ALA 33 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1pou h ALA 33 CO -0.05 0.46 0.01 0.52 0.00 0.00 0.00 179.25 180.19 1pou h MET 34 N 1.00 0.44 -0.92 0.00 2.86 0.42 -3.13 114.93 115.61 1pou h MET 34 Ca 0.29 -0.14 0.17 0.00 -2.06 0.00 0.00 59.70 57.97 1pou h MET 34 Cb -0.05 -0.04 -0.17 0.00 0.06 0.00 0.00 31.60 31.40 1pou h MET 34 CO -0.07 0.60 -0.26 0.41 1.06 0.00 0.00 176.91 178.65 1pou n GLY 35 N -0.35 -1.63 0.36 8.32 0.00 0.38 0.08 105.19 112.35 1pou n GLY 35 Ca -0.03 0.99 0.02 0.00 0.00 0.00 0.00 46.02 47.00 1pou n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pou h LYS 36 N 0.00 1.12 0.00 1.61 1.57 -0.85 -3.26 116.57 116.76 1pou h LYS 36 Ca 0.41 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.84 1pou h LYS 36 Cb 0.64 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1pou h LYS 36 CO -0.94 0.74 -1.91 1.28 -0.57 0.00 0.00 179.45 178.06 1pou n LEU 37 N -4.51 1.95 -0.05 2.94 4.77 0.02 -4.89 117.00 117.22 1pou n LEU 37 Ca 0.15 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.37 1pou n LEU 37 Cb 0.17 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1pou n LEU 37 CO 0.32 0.24 -0.85 -1.22 -1.33 0.00 0.00 177.39 174.55 1pou n TYR 38 N -4.34 0.00 0.00 -1.77 4.01 0.11 -5.13 117.16 110.05 1pou n TYR 38 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 1pou n TYR 38 Cb 0.74 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1pou n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pou n GLY 39 N 2.44 4.36 2.77 2.72 0.00 -0.15 -4.92 105.19 112.41 1pou n GLY 39 Ca -0.20 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 4.13 -0.06 1.61 5.15 -1.26 -2.72 115.26 122.11 1pou n ASN 40 Ca 0.00 -2.74 -0.05 0.00 -0.60 0.00 0.00 54.58 51.20 1pou n ASN 40 Cb 0.00 -1.47 -0.03 0.00 -0.53 0.00 0.00 39.78 37.76 1pou n ASN 40 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1pou h ASP 41 N 6.41 0.00 -2.91 1.20 1.82 -1.91 -3.45 116.42 117.58 1pou h ASP 41 Ca 0.56 -0.11 -0.73 0.00 -0.39 0.00 0.00 57.03 56.36 1pou h ASP 41 Cb 0.58 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.38 1pou h ASP 41 CO 1.87 0.73 0.58 -0.36 -1.61 0.00 0.00 179.24 180.45 1pou s PHE 42 N -1.96 3.36 0.55 0.28 0.08 -1.26 -4.72 117.98 114.31 1pou s PHE 42 Ca -0.10 -1.62 0.09 0.00 0.12 0.00 0.00 56.93 55.42 1pou s PHE 42 Cb 0.01 -4.12 0.09 0.00 -0.57 0.00 0.00 43.02 38.44 1pou s PHE 42 CO 0.19 -1.31 0.75 0.43 -0.10 0.00 0.00 175.22 175.19 1pou n SER 43 N 5.60 2.04 -0.28 1.36 7.64 -1.26 -2.12 113.62 126.59 1pou n SER 43 Ca 0.21 -2.48 0.19 0.00 1.01 0.00 0.00 58.87 57.79 1pou n SER 43 Cb 0.48 -0.39 0.47 0.00 -1.01 0.00 0.00 64.21 63.76 1pou n SER 43 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1pou h GLN 44 N 0.00 0.47 0.00 1.43 5.75 -1.26 0.41 115.11 121.91 1pou h GLN 44 Ca -0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1pou h GLN 44 Cb 1.19 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.64 1pou h GLN 44 CO 0.37 0.31 0.00 0.25 -2.65 0.00 0.00 178.83 177.12 1pou n THR 45 N -4.58 0.00 -0.27 2.39 -2.24 -1.26 -0.28 114.28 108.03 1pou n THR 45 Ca 0.21 1.32 0.05 0.00 -2.27 0.00 0.00 64.05 63.36 1pou n THR 45 Cb 0.71 -2.15 0.19 0.00 -2.10 0.00 0.00 70.33 66.98 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 0.75 -0.11 4.28 1.35 -1.65 0.05 112.91 117.57 1pou h THR 46 Ca 0.00 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1pou h THR 46 Cb 0.00 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 66.53 1pou h THR 46 CO 0.00 0.11 -0.01 0.40 -0.25 0.00 0.00 175.52 175.76 1pou h ILE 47 N 0.58 1.27 -0.59 6.82 2.04 -0.97 0.16 117.51 126.82 1pou h ILE 47 Ca 0.42 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.47 1pou h ILE 47 Cb 0.56 1.63 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1pou h ILE 47 CO -0.34 0.25 0.29 0.77 0.00 0.00 0.00 178.15 179.12 1pou h SER 48 N -0.08 0.39 -0.75 1.72 4.64 -0.00 -0.34 113.55 119.12 1pou h SER 48 Ca 0.03 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1pou h SER 48 Cb 0.40 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1pou h SER 48 CO 0.01 0.25 0.50 0.03 -0.87 0.00 0.00 176.83 176.74 1pou h ARG 49 N 0.53 0.88 0.47 4.77 3.08 -0.80 0.14 114.38 123.45 1pou h ARG 49 Ca 0.28 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 1pou h ARG 49 Cb 0.23 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pou h ARG 49 CO -0.21 0.58 -0.28 0.35 -1.07 0.00 0.00 179.97 179.34 1pou h PHE 50 N 0.91 -0.72 0.00 3.04 3.57 0.79 0.12 116.94 124.64 1pou h PHE 50 Ca 0.30 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1pou h PHE 50 Cb 0.07 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1pou h PHE 50 CO -0.00 -0.43 -0.12 0.93 -2.23 0.00 0.00 178.31 176.46 1pou h GLU 51 N -0.70 0.00 -0.00 1.11 3.07 -0.58 0.17 114.58 117.65 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 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1pou h GLU 51 CO 0.06 0.12 -0.05 0.00 -1.40 0.00 0.00 179.01 177.75 1pou n ALA 52 N -2.42 2.63 -2.64 3.43 0.00 0.44 -4.91 120.51 117.04 1pou n ALA 52 Ca -0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.04 1pou n ALA 52 Cb 0.21 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.08 -1.55 -1.66 0.00 4.32 0.59 -4.88 117.00 112.75 1pou n LEU 53 Ca 0.16 0.01 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 1pou n LEU 53 Cb 0.24 -2.40 0.14 0.00 -1.62 0.00 0.00 43.42 39.78 1pou n LEU 53 CO 0.22 -0.06 0.90 -3.20 -1.22 0.00 0.00 177.39 174.04 1pou n ASN 54 N -2.01 3.57 -1.14 -1.43 2.85 0.01 -3.08 115.26 114.04 1pou n ASN 54 Ca -0.14 -2.89 0.03 0.00 -0.11 0.00 0.00 54.58 51.47 1pou n ASN 54 Cb 0.62 -0.69 0.12 0.00 1.24 0.00 0.00 39.78 41.07 1pou n ASN 54 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1pou n LEU 55 N -0.30 2.11 -3.06 1.20 4.77 -1.26 -4.96 117.00 115.50 1pou n LEU 55 Ca 0.32 -3.16 -0.30 0.00 -0.03 0.00 0.00 56.01 52.84 1pou n LEU 55 Cb 1.13 -0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.86 1pou n LEU 55 CO 0.33 1.07 1.48 -1.20 -1.33 0.00 0.00 177.39 177.74 1pou n SER 56 N -0.43 0.25 0.00 -1.43 7.64 -1.18 -2.79 113.62 115.69 1pou n SER 56 Ca 0.15 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1pou n SER 56 Cb 0.89 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 6.89 0.00 -0.29 1.43 7.35 -1.26 -4.63 117.46 126.95 1pou n PHE 57 Ca 0.44 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 1pou n PHE 57 Cb 0.01 0.00 0.07 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 -0.04 0.04 -4.13 2.10 -2.01 0.33 116.57 112.87 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 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1pou h LYS 58 CO 0.00 -0.02 -0.43 -0.97 -2.00 0.00 0.00 179.45 176.03 1pou h ASN 59 N -0.04 0.13 -0.99 7.07 -0.73 -1.78 -3.38 115.58 115.86 1pou h ASN 59 Ca 0.35 -0.92 0.33 0.00 1.87 0.00 0.00 56.30 57.94 1pou h ASN 59 Cb 0.60 -0.04 -0.15 0.00 0.27 0.00 0.00 38.32 38.99 1pou h ASN 59 CO -0.85 1.19 0.53 0.24 -0.37 0.00 0.00 177.43 178.17 1pou h MET 60 N -0.81 0.25 0.00 6.67 2.86 -1.30 0.21 114.93 122.80 1pou h MET 60 Ca -0.09 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1pou h MET 60 Cb 1.23 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 1pou h MET 60 CO 0.01 0.16 -0.12 0.00 1.06 0.00 0.00 176.91 178.03 1pou n LYS 62 N -3.44 0.51 -0.28 0.00 5.02 0.49 -4.45 118.16 116.01 1pou n LYS 62 Ca -0.01 0.53 0.10 0.00 -2.02 0.00 0.00 58.31 56.91 1pou n LYS 62 Cb 0.28 -1.71 0.25 0.00 -0.02 0.00 0.00 35.03 33.84 1pou n LYS 62 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1pou h LEU 63 N -1.00 0.14 0.59 -0.35 5.85 -0.71 -0.06 115.31 119.77 1pou h LEU 63 Ca -0.18 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1pou h LEU 63 Cb 0.91 0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1pou h LEU 63 CO -0.11 -0.04 -0.28 0.50 -0.34 0.00 0.00 178.44 178.17 1pou h LYS 64 N 0.32 -0.76 -0.75 1.25 3.11 -0.56 0.34 116.57 119.51 1pou h LYS 64 Ca 0.50 0.05 0.04 0.00 -2.81 0.00 0.00 60.65 58.43 1pou h LYS 64 Cb 0.93 0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 32.29 1pou h LYS 64 CO -0.55 -0.51 0.49 -1.00 -2.81 0.00 0.00 179.45 175.08 1pou h PRO 65 N -0.92 0.86 -0.01 1.90 0.13 -1.74 1.00 132.00 133.22 1pou h PRO 65 Ca -0.08 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1pou h PRO 65 Cb 0.61 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1pou h PRO 65 CO 0.13 0.57 0.00 -0.07 -0.23 0.00 0.00 178.00 178.41 1pou h LEU 66 N 0.89 0.01 -0.86 1.56 4.07 -0.92 0.38 115.31 120.44 1pou h LEU 66 Ca 0.30 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 1pou h LEU 66 Cb 0.09 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 1pou h LEU 66 CO -0.09 0.16 0.45 -0.07 -1.08 0.00 0.00 178.44 177.81 1pou h LEU 67 N -0.14 1.09 0.17 1.67 3.38 -0.58 0.64 115.31 121.55 1pou h LEU 67 Ca 0.00 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pou h LEU 67 Cb 0.15 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1pou h LEU 67 CO -0.00 0.89 -0.21 -0.08 0.09 0.00 0.00 178.44 179.13 1pou h GLU 68 N 1.21 -0.41 -0.43 1.13 4.57 -0.29 0.25 114.58 120.59 1pou h GLU 68 Ca 0.30 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1pou h GLU 68 Cb 0.06 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1pou h GLU 68 CO -0.04 -0.28 0.26 0.87 -1.18 0.00 0.00 179.01 178.63 1pou h LYS 69 N -0.43 0.50 -0.63 1.92 1.57 -0.78 0.56 116.57 119.28 1pou h LYS 69 Ca 0.01 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1pou h LYS 69 Cb 0.42 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1pou h LYS 69 CO -0.08 0.33 0.28 2.35 -0.57 0.00 0.00 179.45 181.76 1pou h TRP 70 N 0.52 0.49 -0.36 -1.35 7.01 -0.51 0.64 115.95 122.39 1pou h TRP 70 Ca 0.17 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.15 1pou h TRP 70 Cb 0.01 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1pou h TRP 70 CO -0.07 0.16 0.02 -0.07 -2.79 0.00 0.00 178.44 175.69 1pou h LEU 71 N 0.49 0.60 -1.00 0.65 3.38 0.14 0.16 115.31 119.73 1pou h LEU 71 Ca 0.31 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.10 1pou h LEU 71 Cb 0.34 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1pou h LEU 71 CO -0.27 0.74 0.63 -1.13 0.09 0.00 0.00 178.44 178.50 1pou h ASN 72 N 0.43 0.94 0.40 -0.43 -0.00 -0.18 0.24 115.58 116.99 1pou h ASN 72 Ca 0.10 0.04 -0.02 0.00 -0.00 0.00 0.00 56.30 56.43 1pou h ASN 72 Cb 0.42 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.60 1pou h ASN 72 CO 0.01 0.52 -0.19 -0.78 -0.00 0.00 0.00 177.43 176.99 1pou h ASP 73 N 1.02 -0.46 -0.15 1.15 3.58 -0.51 -3.39 116.42 117.67 1pou h ASP 73 Ca 0.49 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.73 1pou h ASP 73 Cb 0.44 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1pou h ASP 73 CO -0.25 -0.02 -0.62 0.00 -2.88 0.00 0.00 179.24 175.47 1pou h ALA 74 N -1.07 0.49 0.00 -0.78 0.00 -0.53 -3.51 119.26 113.85 1pou h ALA 74 Ca -0.06 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1pou h ALA 74 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1pou h ALA 74 CO 0.09 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.42