#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hom s ARG 1 N 0.00 0.95 -0.44 3.17 0.52 -1.26 -5.11 118.95 116.78 1hom s ARG 1 Ca 0.00 -1.45 0.09 0.00 -0.52 0.00 0.00 55.73 53.85 1hom s ARG 1 Cb 0.00 0.19 0.33 0.00 0.52 0.00 0.00 34.95 35.99 1hom s ARG 1 CO 0.00 -0.25 0.75 0.36 0.02 0.00 0.00 175.30 176.18 1hom n LYS 2 N -0.11 1.56 -2.58 3.54 -0.00 -1.26 -5.06 118.16 114.25 1hom n LYS 2 Ca -0.05 -3.79 -0.42 0.00 -0.00 0.00 0.00 58.31 54.04 1hom n LYS 2 Cb 0.64 -1.79 -0.01 0.00 -0.00 0.00 0.00 35.03 33.86 1hom n LYS 2 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1hom s ARG 3 N -2.48 3.85 -0.52 -1.58 1.04 -1.26 -4.88 118.95 113.13 1hom s ARG 3 Ca 0.41 -1.71 -0.07 0.00 -1.04 0.00 0.00 55.73 53.33 1hom s ARG 3 Cb 0.29 -5.47 -0.18 0.00 -2.04 0.00 0.00 34.95 27.55 1hom s ARG 3 CO -0.09 -2.23 3.10 0.41 -0.04 0.00 0.00 175.30 176.44 1hom n GLY 4 N 5.89 3.20 3.14 3.88 0.00 -1.26 -4.81 105.19 115.24 1hom n GLY 4 Ca 0.43 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1hom n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hom s ARG 5 N 1.67 0.66 0.00 1.61 0.52 -1.26 -5.13 118.95 117.02 1hom s ARG 5 Ca 0.61 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1hom s ARG 5 Cb 0.24 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.97 1hom s ARG 5 CO -0.02 -0.18 0.00 1.04 0.02 0.00 0.00 175.30 176.16 1hom n GLN 6 N 0.53 0.00 0.00 3.54 1.13 -1.26 -5.00 117.38 116.31 1hom n GLN 6 Ca -0.18 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1hom n GLN 6 Cb 0.60 -0.23 0.00 0.00 0.11 0.00 0.00 30.24 30.71 1hom n GLN 6 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1hom n THR 7 N -1.11 0.00 -1.87 5.09 5.66 -1.26 -4.94 114.28 115.85 1hom n THR 7 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1hom n THR 7 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1hom n THR 7 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1hom n TYR 8 N -2.00 -1.70 -4.39 1.09 4.01 -1.26 -4.96 117.16 107.94 1hom n TYR 8 Ca 0.00 0.10 -0.27 0.00 -0.16 0.00 0.00 57.90 57.57 1hom n TYR 8 Cb 0.00 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 38.74 1hom n TYR 8 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1hom s THR 9 N -0.63 2.48 0.33 -0.72 -4.23 -1.26 -5.03 115.64 106.57 1hom s THR 9 Ca 0.00 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1hom s THR 9 Cb 0.00 -2.18 0.31 0.00 1.34 0.00 0.00 72.50 71.97 1hom s THR 9 CO 0.00 -0.06 1.85 -0.09 -0.54 0.00 0.00 174.62 175.78 1hom h ARG 10 N 3.33 0.77 0.39 3.99 9.65 -1.98 -1.50 114.38 129.03 1hom h ARG 10 Ca -0.48 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 1hom h ARG 10 Cb 1.20 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 1hom h ARG 10 CO 0.47 0.51 -0.19 -0.92 2.80 0.00 0.00 179.97 182.64 1hom h TYR 11 N 0.80 -0.48 -0.21 2.20 3.20 -1.97 0.39 116.97 120.89 1hom h TYR 11 Ca 0.48 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.39 1hom h TYR 11 Cb 0.68 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 1hom h TYR 11 CO -0.00 -0.23 -0.35 0.37 -1.64 0.00 0.00 178.16 176.31 1hom h GLN 12 N -0.64 -0.37 0.00 1.82 4.15 -1.85 -0.78 115.11 117.44 1hom h GLN 12 Ca -0.05 0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1hom h GLN 12 Cb 0.47 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1hom h GLN 12 CO 0.09 -0.24 -0.41 1.15 -1.93 0.00 0.00 178.83 177.49 1hom h THR 13 N -0.38 1.27 -0.18 2.39 2.02 -1.27 -2.65 112.91 114.11 1hom h THR 13 Ca 0.11 -1.41 0.04 0.00 0.77 0.00 0.00 66.41 65.92 1hom h THR 13 Cb 0.56 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 1hom h THR 13 CO -0.42 0.40 -0.07 0.25 0.37 0.00 0.00 175.52 176.05 1hom h LEU 14 N 0.00 -0.24 -0.70 2.58 7.12 0.11 0.21 115.31 124.39 1hom h LEU 14 Ca -0.00 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.07 1hom h LEU 14 Cb 0.73 0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 40.97 1hom h LEU 14 CO 0.05 -0.09 0.44 -0.33 -0.13 0.00 0.00 178.44 178.38 1hom h GLU 15 N -0.04 0.94 -0.49 1.25 4.39 -0.88 0.33 114.58 120.09 1hom h GLU 15 Ca 0.09 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1hom h GLU 15 Cb 0.18 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1hom h GLU 15 CO -0.21 0.65 0.27 -0.07 -1.16 0.00 0.00 179.01 178.50 1hom h LEU 16 N 0.95 0.60 -0.23 1.33 4.07 -1.27 0.32 115.31 121.08 1hom h LEU 16 Ca 0.25 -0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 1hom h LEU 16 Cb -0.06 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 1hom h LEU 16 CO -0.05 0.51 -0.24 -0.33 -1.08 0.00 0.00 178.44 177.24 1hom h GLU 17 N 0.64 0.57 -0.06 1.13 5.08 -0.20 0.12 114.58 121.86 1hom h GLU 17 Ca 0.17 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1hom h GLU 17 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1hom h GLU 17 CO -0.03 0.90 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.57 1hom h LYS 18 N 0.27 0.09 -0.04 2.33 3.11 -0.25 -2.46 116.57 119.62 1hom h LYS 18 Ca 0.03 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 1hom h LYS 18 Cb 0.80 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.02 1hom h LYS 18 CO 0.06 0.20 -0.19 1.49 -2.81 0.00 0.00 179.45 178.20 1hom h GLU 19 N 0.09 0.20 -0.83 1.90 4.81 -0.10 -3.32 114.58 117.33 1hom h GLU 19 Ca 0.02 -0.16 0.20 0.00 -0.13 0.00 0.00 59.36 59.29 1hom h GLU 19 Cb 0.23 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.50 1hom h GLU 19 CO 0.01 0.81 0.07 0.35 -0.73 0.00 0.00 179.01 179.52 1hom h PHE 20 N -0.37 0.05 -0.52 0.92 3.57 -0.29 0.67 116.94 120.97 1hom h PHE 20 Ca -0.01 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1hom h PHE 20 Cb 0.84 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1hom h PHE 20 CO 0.14 -0.26 0.35 1.25 -2.23 0.00 0.00 178.31 177.56 1hom h HIS 21 N 0.12 0.40 0.00 0.41 2.76 -1.62 -3.21 115.15 114.01 1hom h HIS 21 Ca 0.48 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 1hom h HIS 21 Cb 0.90 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.73 1hom h HIS 21 CO -0.39 0.20 0.00 1.19 -1.30 0.00 0.00 177.93 177.63 1hom n PHE 22 N -4.47 0.00 -2.96 5.26 3.01 0.16 -4.84 117.46 113.62 1hom n PHE 22 Ca 0.08 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.10 1hom n PHE 22 Cb 0.31 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.75 1hom n PHE 22 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1hom s ASN 23 N -1.00 6.58 0.22 4.37 0.02 0.18 -4.89 114.94 120.42 1hom s ASN 23 Ca 0.00 -1.97 -0.09 0.00 -1.02 0.00 0.00 52.86 49.78 1hom s ASN 23 Cb 0.00 -2.38 0.22 0.00 0.02 0.00 0.00 41.25 39.11 1hom s ASN 23 CO 0.00 -1.06 1.86 -0.09 0.02 0.00 0.00 177.10 177.83 1hom h ARG 24 N 8.84 0.94 -6.46 -0.60 2.43 -1.72 -3.35 114.38 114.45 1hom h ARG 24 Ca 0.09 -0.06 -0.65 0.00 -0.81 0.00 0.00 59.98 58.56 1hom h ARG 24 Cb 1.03 -0.21 -0.14 0.00 -0.42 0.00 0.00 29.97 30.23 1hom h ARG 24 CO 1.09 0.62 -0.70 0.71 -1.51 0.00 0.00 179.97 180.17 1hom s TYR 25 N -6.11 2.81 0.18 2.20 2.02 -1.26 -4.90 117.35 112.29 1hom s TYR 25 Ca -0.13 -0.13 0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1hom s TYR 25 Cb 0.16 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1hom s TYR 25 CO 0.78 0.46 -0.04 -0.51 -1.57 0.00 0.00 175.55 174.68 1hom s LEU 26 N -2.43 3.17 0.42 -1.29 1.43 -1.26 -5.12 118.68 113.60 1hom s LEU 26 Ca 0.24 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1hom s LEU 26 Cb -0.11 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1hom s LEU 26 CO 0.16 0.09 0.41 0.42 0.23 0.00 0.00 176.35 177.66 1hom s THR 27 N -1.76 2.68 0.13 5.49 -4.23 -1.26 -4.96 115.64 111.72 1hom s THR 27 Ca 0.27 -1.29 -0.23 0.00 -1.18 0.00 0.00 61.69 59.25 1hom s THR 27 Cb -0.09 -2.98 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1hom s THR 27 CO 0.17 0.00 1.66 -0.09 -0.54 0.00 0.00 174.62 175.83 1hom h ARG 28 N 0.96 -0.24 -0.25 3.99 9.65 -2.01 0.14 114.38 126.62 1hom h ARG 28 Ca -0.41 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.52 1hom h ARG 28 Cb 1.27 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 1hom h ARG 28 CO 0.55 -0.16 0.03 -0.09 2.80 0.00 0.00 179.97 183.10 1hom h ARG 29 N -0.25 0.11 -0.35 0.20 9.65 -1.99 0.28 114.38 122.03 1hom h ARG 29 Ca 0.08 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.92 1hom h ARG 29 Cb 0.35 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 1hom h ARG 29 CO -0.21 0.07 0.07 0.00 2.80 0.00 0.00 179.97 182.70 1hom h ARG 30 N 0.11 0.52 -0.39 0.20 3.08 -1.87 -1.42 114.38 114.61 1hom h ARG 30 Ca 0.11 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1hom h ARG 30 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1hom h ARG 30 CO -0.17 0.49 0.13 0.00 -1.07 0.00 0.00 179.97 179.35 1hom h ARG 31 N 0.51 0.60 -0.04 0.04 3.08 0.21 -0.25 114.38 118.51 1hom h ARG 31 Ca 0.12 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1hom h ARG 31 Cb 0.22 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1hom h ARG 31 CO -0.00 0.59 -0.48 0.82 -1.07 0.00 0.00 179.97 179.83 1hom h ILE 32 N 0.48 0.07 -0.31 2.04 5.03 -0.03 -0.16 117.51 124.63 1hom h ILE 32 Ca 0.13 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 1hom h ILE 32 Cb 0.24 0.07 -0.01 0.00 -3.03 0.00 0.00 36.82 34.08 1hom h ILE 32 CO -0.01 0.00 0.14 1.05 -0.68 0.00 0.00 178.15 178.65 1hom h GLU 33 N -0.60 0.45 -0.08 2.37 -0.00 -1.25 -3.03 114.58 112.43 1hom h GLU 33 Ca 0.04 -0.07 -0.14 0.00 -0.00 0.00 0.00 59.36 59.19 1hom h GLU 33 Cb 0.68 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.35 1hom h GLU 33 CO -0.37 0.44 -0.56 0.97 -0.00 0.00 0.00 179.01 179.49 1hom h ILE 34 N 0.36 1.37 -0.58 -1.06 2.10 -0.83 0.28 117.51 119.15 1hom h ILE 34 Ca 0.10 -1.87 0.11 0.00 1.08 0.00 0.00 64.86 64.28 1hom h ILE 34 Cb 0.15 1.92 -0.11 0.00 -1.09 0.00 0.00 36.82 37.68 1hom h ILE 34 CO -0.01 0.56 -0.27 0.00 -1.08 0.00 0.00 178.15 177.35 1hom h ALA 35 N 1.22 0.11 -0.06 0.18 0.00 -1.03 -1.32 119.26 118.37 1hom h ALA 35 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1hom h ALA 35 Cb 1.04 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1hom h ALA 35 CO 0.09 -0.59 -0.77 0.45 0.00 0.00 0.00 179.25 178.43 1hom h HIS 36 N -0.12 0.50 -0.04 0.00 3.86 -0.91 0.30 115.15 118.74 1hom h HIS 36 Ca 0.25 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1hom h HIS 36 Cb 0.52 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1hom h HIS 36 CO -0.58 1.00 0.03 0.00 0.86 0.00 0.00 177.93 179.24 1hom h ALA 37 N 0.93 0.06 -3.00 2.45 0.00 0.12 -3.36 119.26 116.46 1hom h ALA 37 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1hom h ALA 37 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hom h ALA 37 CO 0.13 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1hom n LEU 38 N -5.05 2.09 0.00 0.00 7.99 -0.56 -5.03 117.00 116.44 1hom n LEU 38 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1hom n LEU 38 Cb 0.04 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1hom n LEU 38 CO 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 176.21 1hom n LEU 40 N 0.00 0.00 -4.16 0.00 4.32 0.97 -4.99 117.00 113.15 1hom n LEU 40 Ca 0.00 -0.80 -0.11 0.00 -0.02 0.00 0.00 56.01 55.08 1hom n LEU 40 Cb 0.00 -0.06 -0.10 0.00 -1.62 0.00 0.00 43.42 41.63 1hom n LEU 40 CO 0.00 -0.45 -0.39 0.42 -1.22 0.00 0.00 177.39 175.76 1hom s THR 41 N -0.47 0.67 0.20 -5.08 -4.23 -1.26 -4.44 115.64 101.04 1hom s THR 41 Ca 0.13 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.76 1hom s THR 41 Cb -0.01 -1.55 0.04 0.00 1.34 0.00 0.00 72.50 72.32 1hom s THR 41 CO 0.08 -0.81 1.63 -0.33 -0.54 0.00 0.00 174.62 174.65 1hom h GLU 42 N 3.16 0.86 -0.71 3.99 3.07 -1.98 0.18 114.58 123.16 1hom h GLU 42 Ca -0.35 -0.33 0.15 0.00 -0.50 0.00 0.00 59.36 58.33 1hom h GLU 42 Cb 1.17 -0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 28.92 1hom h GLU 42 CO 0.62 0.97 0.13 -0.09 -1.40 0.00 0.00 179.01 179.24 1hom h ARG 43 N 0.76 0.22 0.07 2.33 1.12 -1.98 0.12 114.38 117.02 1hom h ARG 43 Ca 0.11 -0.01 -0.28 0.00 -1.11 0.00 0.00 59.98 58.69 1hom h ARG 43 Cb 0.70 -0.05 0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1hom h ARG 43 CO 0.05 0.15 -1.14 0.37 -3.11 0.00 0.00 179.97 176.29 1hom h GLN 44 N 0.23 0.58 -0.30 0.20 4.15 -1.30 0.18 115.11 118.86 1hom h GLN 44 Ca 0.39 -0.72 -0.15 0.00 0.77 0.00 0.00 58.65 58.95 1hom h GLN 44 Cb 0.67 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1hom h GLN 44 CO -0.52 1.30 -0.42 0.82 -1.93 0.00 0.00 178.83 178.09 1hom h ILE 45 N 0.29 1.29 -0.10 2.39 1.08 -0.50 -0.99 117.51 120.97 1hom h ILE 45 Ca -0.15 -1.60 0.03 0.00 -0.39 0.00 0.00 64.86 62.76 1hom h ILE 45 Cb 1.80 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 37.03 1hom h ILE 45 CO 0.21 0.52 -0.10 0.50 -0.69 0.00 0.00 178.15 178.59 1hom h LYS 46 N 0.59 -0.11 0.08 2.37 3.64 -0.61 0.12 116.57 122.64 1hom h LYS 46 Ca 0.04 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1hom h LYS 46 Cb 0.96 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1hom h LYS 46 CO 0.09 -0.08 -0.42 0.82 -2.27 0.00 0.00 179.45 177.59 1hom h ILE 47 N -0.12 0.16 -0.22 2.00 1.08 -0.48 0.42 117.51 120.34 1hom h ILE 47 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1hom h ILE 47 Cb 0.22 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1hom h ILE 47 CO -0.18 0.00 0.13 -0.25 -0.69 0.00 0.00 178.15 177.17 1hom h TRP 48 N -0.62 0.25 -0.79 1.37 7.01 -1.02 -0.30 115.95 121.84 1hom h TRP 48 Ca 0.03 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.13 1hom h TRP 48 Cb 0.67 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 1hom h TRP 48 CO -0.39 0.15 0.52 0.74 -2.79 0.00 0.00 178.44 176.67 1hom h PHE 49 N 0.27 0.78 0.71 2.65 -1.00 -0.60 -0.32 116.94 119.43 1hom h PHE 49 Ca 0.09 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1hom h PHE 49 Cb -0.01 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 39.31 1hom h PHE 49 CO -0.08 0.37 -0.34 0.37 -1.61 0.00 0.00 178.31 177.02 1hom h GLN 50 N 0.73 -0.92 -0.74 1.51 5.75 0.15 -2.35 115.11 119.24 1hom h GLN 50 Ca 0.36 0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.88 1hom h GLN 50 Cb 0.44 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1hom h GLN 50 CO -0.14 -0.61 0.27 -2.95 -2.65 0.00 0.00 178.83 172.75 1hom h ASN 51 N -1.03 1.05 -0.57 -0.69 -1.07 -1.09 -1.69 115.58 110.49 1hom h ASN 51 Ca -0.10 -0.19 0.16 0.00 0.07 0.00 0.00 56.30 56.25 1hom h ASN 51 Cb 0.73 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.69 1hom h ASN 51 CO 0.16 0.95 0.46 -0.09 0.07 0.00 0.00 177.43 178.98 1hom h ARG 52 N 1.08 0.00 0.00 4.14 1.12 -1.09 -2.69 114.38 116.94 1hom h ARG 52 Ca 0.24 0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.89 1hom h ARG 52 Cb 0.25 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.17 1hom h ARG 52 CO -0.02 0.00 -1.19 0.00 -3.11 0.00 0.00 179.97 175.66 1hom h ARG 53 N 0.00 0.00 -7.02 0.20 3.08 -0.73 -3.41 114.38 106.51 1hom h ARG 53 Ca 0.27 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.80 1hom h ARG 53 Cb 1.18 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.32 1hom h ARG 53 CO -0.00 0.81 0.53 1.41 -1.07 0.00 0.00 179.97 181.64 1hom s MET 54 N -2.70 3.56 0.00 0.04 -2.45 -1.01 -1.53 119.30 115.21 1hom s MET 54 Ca -0.01 1.94 0.00 0.00 -1.25 0.00 0.00 55.69 56.37 1hom s MET 54 Cb 0.09 -2.37 0.00 0.00 1.25 0.00 0.00 34.83 33.81 1hom s MET 54 CO 0.82 -0.76 0.00 1.17 1.05 0.00 0.00 175.02 177.29 1hom n LYS 55 N -0.65 0.00 0.00 4.11 3.00 -1.26 -4.83 118.16 118.52 1hom n LYS 55 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1hom n LYS 55 Cb 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 35.03 34.74 1hom n LYS 55 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1hom n TRP 56 N -2.00 0.00 0.50 5.64 -0.00 -0.58 -4.13 117.44 116.87 1hom n TRP 56 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1hom n TRP 56 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 31.31 31.37 1hom n TRP 56 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1hom n LYS 57 N -2.26 0.25 -0.44 5.87 4.76 -0.76 -0.94 118.16 124.63 1hom n LYS 57 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1hom n LYS 57 Cb 0.00 -1.12 0.02 0.00 -1.84 0.00 0.00 35.03 32.09 1hom n LYS 57 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1hom n LYS 58 N -0.62 0.21 0.00 1.97 5.02 -1.26 -4.91 118.16 118.56 1hom n LYS 58 Ca 0.01 -1.26 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1hom n LYS 58 Cb 0.01 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1hom n LYS 58 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1hom n GLU 59 N -0.23 0.18 -0.83 1.97 1.02 -0.36 -4.77 120.64 117.62 1hom n GLU 59 Ca 0.03 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1hom n GLU 59 Cb 0.69 -0.01 -0.11 0.00 -0.02 0.00 0.00 31.44 31.99 1hom n GLU 59 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1hom n ASN 60 N 0.00 4.68 0.00 1.62 4.13 -0.12 -4.85 115.26 120.73 1hom n ASN 60 Ca 0.00 -2.30 0.00 0.00 1.68 0.00 0.00 54.58 53.96 1hom n ASN 60 Cb 0.00 -1.15 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1hom n ASN 60 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1hom n LYS 61 N 2.92 0.00 -2.93 3.52 4.81 -1.26 -4.86 118.16 120.36 1hom n LYS 61 Ca 0.40 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.82 1hom n LYS 61 Cb 0.58 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.62 1hom n LYS 61 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1hom n THR 62 N 0.00 -6.44 -0.52 3.15 -2.24 -1.26 -4.98 114.28 101.99 1hom n THR 62 Ca 0.00 1.18 -0.28 0.00 -2.27 0.00 0.00 64.05 62.68 1hom n THR 62 Cb 0.00 -4.55 0.25 0.00 -2.10 0.00 0.00 70.33 63.93 1hom n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hom s LYS 63 N -0.81 -0.91 -1.32 -0.78 3.01 -1.26 -4.84 119.74 112.83 1hom s LYS 63 Ca -0.06 0.91 -0.08 0.00 -1.01 0.00 0.00 55.97 55.73 1hom s LYS 63 Cb 0.00 -1.55 -0.07 0.00 -1.01 0.00 0.00 37.83 35.20 1hom s LYS 63 CO 0.36 -3.74 2.60 0.41 0.51 0.00 0.00 175.35 175.49 1hom n GLY 64 N 0.87 3.77 0.17 -3.33 0.00 -1.26 -4.61 105.19 100.80 1hom n GLY 64 Ca 0.03 -1.22 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1hom n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hom h GLU 65 N 5.57 -0.33 -0.11 1.61 4.39 -2.02 -3.24 114.58 120.44 1hom h GLU 65 Ca 0.71 0.02 -0.14 0.00 0.34 0.00 0.00 59.36 60.30 1hom h GLU 65 Cb 0.23 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1hom h GLU 65 CO 1.64 -0.05 -0.53 -1.00 -1.16 0.00 0.00 179.01 177.91 1hom h PRO 66 N -0.61 0.31 0.00 2.33 0.13 -2.00 -3.56 132.00 128.60 1hom h PRO 66 Ca -0.04 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1hom h PRO 66 Cb 0.44 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1hom h PRO 66 CO 0.06 0.76 0.00 0.41 -0.23 0.00 0.00 178.00 179.00