#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl n ASP 2 N 0.00 4.82 -2.91 7.83 5.75 -1.26 -4.84 116.55 125.95 1mxl n ASP 2 Ca 0.00 -3.73 -0.30 0.00 -0.01 0.00 0.00 54.79 50.75 1mxl n ASP 2 Cb 0.00 -0.42 -0.02 0.00 -1.03 0.00 0.00 41.12 39.66 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1mxl n ASP 3 N -0.57 5.17 -0.00 -1.12 2.03 -1.26 -4.65 116.55 116.15 1mxl n ASP 3 Ca 0.41 -3.71 0.01 0.00 0.52 0.00 0.00 54.79 52.02 1mxl n ASP 3 Cb 0.78 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mxl n ILE 4 N -0.31 0.04 -0.07 5.18 0.00 -1.26 -4.67 119.36 118.27 1mxl n ILE 4 Ca 0.37 -0.07 -0.12 0.00 0.00 0.00 0.00 62.75 62.93 1mxl n ILE 4 Cb 0.43 0.09 -0.04 0.00 0.00 0.00 0.00 39.64 40.12 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1mxl n TYR 5 N -1.72 0.00 -0.50 9.51 4.01 -1.26 -4.41 117.16 122.79 1mxl n TYR 5 Ca -0.01 0.00 0.41 0.00 -0.16 0.00 0.00 57.90 58.14 1mxl n TYR 5 Cb 0.20 -0.50 0.73 0.00 -0.31 0.00 0.00 39.34 39.46 1mxl n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1mxl h LYS 6 N -0.73 0.05 -0.28 -0.72 1.57 -1.88 1.19 116.57 115.77 1mxl h LYS 6 Ca -0.19 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1mxl h LYS 6 Cb 0.99 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1mxl h LYS 6 CO -0.12 0.03 -0.24 0.00 -0.57 0.00 0.00 179.45 178.56 1mxl h ALA 7 N 1.34 1.08 -0.24 3.86 0.00 -1.83 -3.05 119.26 120.41 1mxl h ALA 7 Ca 0.78 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 1mxl h ALA 7 Cb 2.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 20.51 1mxl h ALA 7 CO -0.15 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 179.54 1mxl h ALA 8 N 1.28 0.34 -0.45 0.00 0.00 0.12 -2.98 119.26 117.58 1mxl h ALA 8 Ca 0.07 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1mxl h ALA 8 Cb 0.66 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1mxl h ALA 8 CO 0.05 0.20 -0.32 0.28 0.00 0.00 0.00 179.25 179.46 1mxl h VAL 9 N 0.23 0.22 0.00 0.00 2.07 -1.39 1.16 116.25 118.54 1mxl h VAL 9 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1mxl h VAL 9 Cb 0.62 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1mxl h VAL 9 CO 0.04 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 1mxl n GLU 10 N -5.42 0.12 -0.29 1.57 -0.58 -1.20 -0.97 120.64 113.87 1mxl n GLU 10 Ca 0.02 0.54 0.08 0.00 -0.42 0.00 0.00 57.16 57.38 1mxl n GLU 10 Cb 0.34 -1.82 0.24 0.00 -0.57 0.00 0.00 31.44 29.63 1mxl n GLU 10 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1mxl n GLN 11 N -2.06 2.30 0.00 3.49 7.27 0.40 -4.91 117.38 123.87 1mxl n GLN 11 Ca -0.00 -1.92 0.00 0.00 0.07 0.00 0.00 57.00 55.15 1mxl n GLN 11 Cb 0.08 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.29 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1mxl n LEU 12 N 1.02 0.00 -3.58 1.69 4.77 -0.15 -5.05 117.00 115.70 1mxl n LEU 12 Ca 0.18 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1mxl n LEU 12 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1mxl n LEU 12 CO 0.13 0.00 0.30 0.42 -1.33 0.00 0.00 177.39 176.91 1mxl s THR 13 N 0.04 0.02 0.05 -5.08 -4.23 -1.26 -4.99 115.64 100.19 1mxl s THR 13 Ca 0.00 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.21 1mxl s THR 13 Cb 0.00 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1mxl s THR 13 CO 0.00 -0.10 1.20 -0.08 -0.54 0.00 0.00 174.62 175.10 1mxl h GLU 14 N 3.03 -0.07 -0.95 3.99 4.81 -1.99 1.31 114.58 124.71 1mxl h GLU 14 Ca -0.29 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.23 1mxl h GLU 14 Cb 1.18 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.43 1mxl h GLU 14 CO 0.40 -0.05 0.43 1.05 -0.73 0.00 0.00 179.01 180.12 1mxl h GLU 15 N -0.07 0.28 -0.02 1.92 4.11 -1.98 0.66 114.58 119.47 1mxl h GLU 15 Ca 0.04 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 1mxl h GLU 15 Cb 0.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mxl h GLU 15 CO -0.28 0.18 -0.07 0.37 0.07 0.00 0.00 179.01 179.28 1mxl h GLN 16 N 0.28 0.08 -0.33 1.06 4.15 -0.81 -2.56 115.11 116.98 1mxl h GLN 16 Ca 0.66 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 60.00 1mxl h GLN 16 Cb 1.43 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.11 1mxl h GLN 16 CO -0.63 0.69 0.15 -0.22 -1.93 0.00 0.00 178.83 176.89 1mxl h LYS 17 N -0.50 0.46 -0.46 1.69 3.11 0.33 -2.23 116.57 118.97 1mxl h LYS 17 Ca -0.00 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 1mxl h LYS 17 Cb 0.69 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 1mxl h LYS 17 CO 0.01 0.37 -0.12 -0.91 -2.81 0.00 0.00 179.45 176.00 1mxl h ASN 18 N 0.46 0.90 -0.03 4.20 2.35 0.26 -1.62 115.58 122.10 1mxl h ASN 18 Ca 0.12 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1mxl h ASN 18 Cb 0.07 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1mxl h ASN 18 CO -0.01 1.06 0.02 -0.08 -1.65 0.00 0.00 177.43 176.76 1mxl h GLU 19 N 0.73 0.04 -0.03 0.81 4.81 -0.98 -2.67 114.58 117.29 1mxl h GLU 19 Ca 0.12 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1mxl h GLU 19 Cb 0.66 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1mxl h GLU 19 CO 0.05 0.04 0.02 0.74 -0.73 0.00 0.00 179.01 179.13 1mxl h PHE 20 N 0.03 0.04 -1.05 0.92 0.04 -1.43 -2.32 116.94 113.17 1mxl h PHE 20 Ca 0.01 0.00 0.31 0.00 2.80 0.00 0.00 57.97 61.09 1mxl h PHE 20 Cb 0.01 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 1mxl h PHE 20 CO -0.07 0.06 0.63 0.87 -0.60 0.00 0.00 178.31 179.20 1mxl h LYS 21 N 0.01 0.36 -0.05 1.51 1.79 -1.12 -1.25 116.57 117.82 1mxl h LYS 21 Ca 0.01 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1mxl h LYS 21 Cb 0.03 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1mxl h LYS 21 CO -0.00 0.24 -0.38 0.00 -1.08 0.00 0.00 179.45 178.23 1mxl h ALA 22 N 1.74 -0.79 -0.94 3.86 0.00 -1.07 0.04 119.26 122.10 1mxl h ALA 22 Ca 0.70 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.60 1mxl h ALA 22 Cb 1.65 0.85 -0.06 0.00 0.00 0.00 0.00 17.79 20.24 1mxl h ALA 22 CO -0.49 -0.91 0.61 0.00 0.00 0.00 0.00 179.25 178.46 1mxl h ALA 23 N -0.70 1.25 -0.98 0.00 0.00 -1.35 -0.88 119.26 116.61 1mxl h ALA 23 Ca 0.01 -0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.09 1mxl h ALA 23 Cb 0.49 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 1mxl h ALA 23 CO -0.28 0.47 0.62 0.35 0.00 0.00 0.00 179.25 180.41 1mxl h PHE 24 N 1.17 0.83 0.20 0.00 3.57 -0.44 0.60 116.94 122.88 1mxl h PHE 24 Ca 0.38 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1mxl h PHE 24 Cb 0.03 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1mxl h PHE 24 CO -0.01 0.18 -0.10 0.22 -2.23 0.00 0.00 178.31 176.38 1mxl h ASP 25 N 0.59 -0.23 0.08 0.41 3.58 0.42 -2.95 116.42 118.32 1mxl h ASP 25 Ca 0.54 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1mxl h ASP 25 Cb 1.08 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1mxl h ASP 25 CO -0.30 0.14 -0.09 0.40 -2.88 0.00 0.00 179.24 176.52 1mxl h ILE 26 N -0.63 1.08 -0.03 2.25 5.03 -0.93 -0.01 117.51 124.26 1mxl h ILE 26 Ca -0.03 -0.35 0.01 0.00 -0.12 0.00 0.00 64.86 64.37 1mxl h ILE 26 Cb 0.46 1.16 -0.00 0.00 -3.03 0.00 0.00 36.82 35.41 1mxl h ILE 26 CO 0.05 0.10 0.02 -0.26 -0.68 0.00 0.00 178.15 177.38 1mxl h PHE 27 N 0.03 0.00 -0.05 1.37 -1.00 0.33 -2.33 116.94 115.29 1mxl h PHE 27 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1mxl h PHE 27 Cb 0.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1mxl h PHE 27 CO 0.00 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.03 1mxl n VAL 28 N -4.19 0.64 -1.53 -0.55 0.24 -0.60 -4.42 118.33 107.91 1mxl n VAL 28 Ca -0.02 -0.82 -0.33 0.00 -2.04 0.00 0.00 64.34 61.13 1mxl n VAL 28 Cb 0.12 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.08 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1mxl n LEU 29 N -0.11 1.09 0.00 1.34 0.00 -0.12 0.90 117.00 120.10 1mxl n LEU 29 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 56.01 55.62 1mxl n LEU 29 Cb 0.21 -1.24 0.00 0.00 0.00 0.00 0.00 43.42 42.39 1mxl n LEU 29 CO 0.02 -1.42 0.00 0.61 0.00 0.00 0.00 177.39 176.60 1mxl n GLY 30 N 6.23 1.44 3.77 -3.96 0.00 -1.26 -5.05 105.19 106.36 1mxl n GLY 30 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.24 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ALA 31 N -1.56 1.94 -0.19 4.61 0.00 0.26 -5.02 121.76 121.80 1mxl s ALA 31 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1mxl s ALA 31 Cb 0.00 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.92 1mxl s ALA 31 CO 0.00 -2.02 -0.28 -1.91 0.00 0.00 0.00 175.76 171.55 1mxl n GLU 32 N -3.63 0.45 0.00 0.00 0.00 -1.26 -4.47 120.64 111.72 1mxl n GLU 32 Ca 0.07 0.19 0.13 0.00 0.00 0.00 0.00 57.16 57.55 1mxl n GLU 32 Cb 0.56 -1.26 0.78 0.00 0.00 0.00 0.00 31.44 31.52 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mxl n ASP 33 N -4.07 0.00 -1.95 4.31 8.00 -1.26 -4.88 116.55 116.70 1mxl n ASP 33 Ca -0.33 -1.12 -0.06 0.00 0.71 0.00 0.00 54.79 53.99 1mxl n ASP 33 Cb 0.68 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.81 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 34 N 0.87 0.17 3.19 0.44 0.00 -1.26 -5.06 105.19 103.54 1mxl n GLY 34 Ca 0.20 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1mxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl s ILE 36 N -4.05 4.22 -0.09 0.00 1.01 -1.10 -4.74 121.20 116.46 1mxl s ILE 36 Ca 0.25 -0.27 0.19 0.00 0.00 0.00 0.00 60.65 60.82 1mxl s ILE 36 Cb 0.07 -2.80 0.41 0.00 0.01 0.00 0.00 42.46 40.15 1mxl s ILE 36 CO 0.03 0.57 1.19 -0.24 0.00 0.00 0.00 174.94 176.48 1mxl n SER 37 N 2.59 1.30 0.00 3.58 2.88 -1.26 -2.03 113.62 120.68 1mxl n SER 37 Ca -0.18 -2.82 0.00 0.00 -1.33 0.00 0.00 58.87 54.54 1mxl n SER 37 Cb 0.53 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1mxl n THR 38 N -0.22 0.00 -0.34 2.46 -2.24 -1.26 -4.65 114.28 108.02 1mxl n THR 38 Ca 0.11 0.00 0.27 0.00 -2.27 0.00 0.00 64.05 62.16 1mxl n THR 38 Cb 0.94 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.69 1mxl n THR 38 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1mxl h LYS 39 N 0.00 0.22 0.00 -0.78 1.63 -1.96 2.08 116.57 117.76 1mxl h LYS 39 Ca 0.00 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1mxl h LYS 39 Cb 0.00 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 1mxl h LYS 39 CO 0.00 0.15 -0.86 0.93 -3.45 0.00 0.00 179.45 176.22 1mxl h GLU 40 N 0.23 0.00 0.00 1.90 4.39 -1.82 -3.33 114.58 115.94 1mxl h GLU 40 Ca 0.77 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.47 1mxl h GLU 40 Cb 1.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1mxl h GLU 40 CO -0.61 0.29 0.00 -0.11 -1.16 0.00 0.00 179.01 177.42 1mxl n LEU 41 N -3.00 0.15 -0.43 1.33 7.94 0.69 -3.09 117.00 120.58 1mxl n LEU 41 Ca -0.02 0.78 0.37 0.00 -1.11 0.00 0.00 56.01 56.02 1mxl n LEU 41 Cb 0.72 -0.40 0.64 0.00 0.53 0.00 0.00 43.42 44.92 1mxl n LEU 41 CO 0.41 -0.40 1.21 1.23 -1.11 0.00 0.00 177.39 178.73 1mxl h GLY 42 N 0.00 1.45 1.06 -3.96 0.00 -1.46 1.52 103.07 101.68 1mxl h GLY 42 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1mxl h GLY 42 CO 0.00 -0.46 0.40 0.50 0.00 0.00 0.00 176.54 176.98 1mxl h LYS 43 N 0.07 0.42 0.00 4.80 1.79 -1.65 -0.18 116.57 121.82 1mxl h LYS 43 Ca 0.83 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 59.27 1mxl h LYS 43 Cb 2.56 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 33.12 1mxl h LYS 43 CO -0.47 0.28 -0.65 0.28 -1.08 0.00 0.00 179.45 177.81 1mxl h VAL 44 N 0.44 0.06 0.40 0.50 2.07 0.22 -3.36 116.25 116.58 1mxl h VAL 44 Ca 0.28 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1mxl h VAL 44 Cb 0.51 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1mxl h VAL 44 CO -0.08 0.04 -0.19 0.24 0.02 0.00 0.00 177.57 177.59 1mxl h MET 45 N 0.00 -0.52 -0.06 1.57 2.86 -0.54 -0.65 114.93 117.59 1mxl h MET 45 Ca -0.01 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1mxl h MET 45 Cb 1.05 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1mxl h MET 45 CO 0.01 -0.25 0.31 0.07 1.06 0.00 0.00 176.91 178.11 1mxl h ARG 46 N -0.73 0.00 0.06 1.72 0.11 -1.54 0.17 114.38 114.18 1mxl h ARG 46 Ca -0.05 0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.73 1mxl h ARG 46 Cb 0.51 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.57 1mxl h ARG 46 CO 0.09 0.00 -1.56 0.52 0.10 0.00 0.00 179.97 179.12 1mxl h MET 47 N 0.00 0.14 0.23 0.08 2.86 -1.52 -3.39 114.93 113.33 1mxl h MET 47 Ca 0.03 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1mxl h MET 47 Cb 0.66 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1mxl h MET 47 CO -0.00 0.91 -0.11 -0.07 1.06 0.00 0.00 176.91 178.70 1mxl h LEU 48 N 0.04 -0.26 0.00 1.22 3.38 0.82 -3.48 115.31 117.03 1mxl h LEU 48 Ca -0.24 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1mxl h LEU 48 Cb 1.98 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1mxl h LEU 48 CO 0.12 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.51 1mxl n GLY 49 N 0.80 0.00 0.00 0.83 0.00 -0.67 -5.11 105.19 101.04 1mxl n GLY 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1mxl n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mxl n GLN 50 N 0.00 0.00 -2.68 1.61 7.27 -1.10 -5.04 117.38 117.45 1mxl n GLN 50 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 1mxl n GLN 50 Cb 0.00 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.70 1mxl n GLN 50 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1mxl n ASN 51 N -0.62 -1.60 -4.76 1.69 0.23 -1.26 -3.41 115.26 105.52 1mxl n ASN 51 Ca 0.00 -1.60 -0.40 0.00 -0.53 0.00 0.00 54.58 52.05 1mxl n ASN 51 Cb 0.00 0.86 -0.03 0.00 -2.08 0.00 0.00 39.78 38.52 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1mxl s PRO 52 N 0.56 4.50 1.08 -0.53 0.04 -1.26 -5.01 135.00 134.38 1mxl s PRO 52 Ca 0.26 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 63.11 1mxl s PRO 52 Cb 0.16 -3.10 0.24 0.00 0.04 0.00 0.00 34.50 31.84 1mxl s PRO 52 CO -0.10 0.04 1.06 0.95 0.04 0.00 0.00 177.00 178.99 1mxl s THR 53 N -1.18 2.02 0.19 1.26 -4.23 -1.26 -4.74 115.64 107.69 1mxl s THR 53 Ca 0.47 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.94 1mxl s THR 53 Cb -0.34 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1mxl s THR 53 CO 0.45 -0.01 1.53 1.55 -0.54 0.00 0.00 174.62 177.60 1mxl h PRO 54 N -2.26 0.68 -0.47 3.99 0.13 -1.99 0.59 132.00 132.67 1mxl h PRO 54 Ca -0.58 -0.37 -0.13 0.00 -0.87 0.00 0.00 66.00 64.05 1mxl h PRO 54 Cb 1.34 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1mxl h PRO 54 CO 0.55 0.98 -0.21 1.49 -0.23 0.00 0.00 178.00 180.58 1mxl h GLU 55 N 0.55 0.96 0.00 0.86 4.81 -2.04 -2.88 114.58 116.84 1mxl h GLU 55 Ca 0.04 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1mxl h GLU 55 Cb 0.98 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1mxl h GLU 55 CO 0.09 1.07 -0.29 0.93 -0.73 0.00 0.00 179.01 180.08 1mxl h GLU 56 N 0.83 0.00 -0.30 1.92 5.08 -1.90 -3.35 114.58 116.86 1mxl h GLU 56 Ca 0.11 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1mxl h GLU 56 Cb 0.78 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.96 1mxl h GLU 56 CO 0.06 0.28 -0.48 -0.07 -1.00 0.00 0.00 179.01 177.81 1mxl h LEU 57 N 0.00 -1.59 -1.37 1.33 3.38 -0.64 0.31 115.31 116.72 1mxl h LEU 57 Ca -0.00 0.20 0.37 0.00 0.09 0.00 0.00 57.88 58.54 1mxl h LEU 57 Cb 1.22 0.64 -0.12 0.00 0.09 0.00 0.00 40.66 42.50 1mxl h LEU 57 CO 0.04 -0.37 0.77 1.56 0.09 0.00 0.00 178.44 180.53 1mxl h GLN 58 N -0.38 0.20 -1.10 1.13 1.08 -1.69 0.82 115.11 115.17 1mxl h GLN 58 Ca 0.05 -0.01 0.31 0.00 -1.45 0.00 0.00 58.65 57.55 1mxl h GLN 58 Cb 0.53 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.85 1mxl h GLN 58 CO -0.48 0.13 0.76 1.49 -0.95 0.00 0.00 178.83 179.78 1mxl h GLU 59 N 0.21 0.15 0.00 1.46 4.57 -0.57 2.11 114.58 122.51 1mxl h GLU 59 Ca 0.73 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.90 1mxl h GLU 59 Cb 2.13 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1mxl h GLU 59 CO -0.38 0.10 0.00 -1.33 -1.18 0.00 0.00 179.01 176.22 1mxl n MET 60 N -4.37 0.67 -0.07 1.92 2.81 0.29 -3.15 117.12 115.21 1mxl n MET 60 Ca 0.25 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 56.03 1mxl n MET 60 Cb 1.07 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 32.04 1mxl n MET 60 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1mxl n ILE 61 N -1.12 1.34 -0.10 2.02 2.08 0.71 -4.50 119.36 119.78 1mxl n ILE 61 Ca 0.18 0.04 0.16 0.00 0.56 0.00 0.00 62.75 63.69 1mxl n ILE 61 Cb 0.15 -2.03 0.56 0.00 -0.75 0.00 0.00 39.64 37.56 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 1mxl h ASP 62 N -0.75 0.27 -0.38 4.38 1.82 -1.50 -1.75 116.42 118.51 1mxl h ASP 62 Ca -0.18 0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1mxl h ASP 62 Cb 0.99 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.91 1mxl h ASP 62 CO -0.11 0.14 0.07 -0.33 -1.61 0.00 0.00 179.24 177.40 1mxl h GLU 63 N 0.29 0.18 -1.10 0.28 5.08 -1.78 -2.53 114.58 115.00 1mxl h GLU 63 Ca 0.32 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 58.02 1mxl h GLU 63 Cb 0.85 -0.04 -0.34 0.00 0.50 0.00 0.00 28.75 29.73 1mxl h GLU 63 CO -0.08 0.12 0.31 1.33 -1.00 0.00 0.00 179.01 179.70 1mxl n VAL 64 N -5.11 3.23 -4.46 3.13 0.24 -0.69 -4.98 118.33 109.69 1mxl n VAL 64 Ca 0.02 -3.61 -0.30 0.00 -2.04 0.00 0.00 64.34 58.41 1mxl n VAL 64 Cb 0.17 -1.17 -0.12 0.00 -1.47 0.00 0.00 33.84 31.25 1mxl n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mxl s ASP 65 N -2.35 3.60 -0.08 -1.34 -1.08 -0.96 -4.67 116.67 109.79 1mxl s ASP 65 Ca 0.58 -0.61 0.12 0.00 -0.52 0.00 0.00 52.55 52.12 1mxl s ASP 65 Cb 0.46 -0.42 0.18 0.00 -1.46 0.00 0.00 42.92 41.69 1mxl s ASP 65 CO -0.06 0.20 1.07 -0.62 0.52 0.00 0.00 175.17 176.28 1mxl n GLU 66 N 1.07 1.20 0.00 4.34 -0.58 -1.26 -4.81 120.64 120.59 1mxl n GLU 66 Ca -0.17 -2.02 0.00 0.00 -0.42 0.00 0.00 57.16 54.55 1mxl n GLU 66 Cb 0.53 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1mxl n ASP 67 N -0.96 0.00 0.00 1.62 5.75 -1.26 -5.04 116.55 116.66 1mxl n ASP 67 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1mxl n ASP 67 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mxl n GLY 68 N 0.55 1.26 0.00 6.12 0.00 -1.26 -4.94 105.19 106.91 1mxl n GLY 68 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1mxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mxl n SER 69 N 0.75 0.00 0.00 1.61 3.41 -1.26 -4.80 113.62 113.32 1mxl n SER 69 Ca 0.00 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1mxl n SER 69 Cb 0.15 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1mxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mxl n GLY 70 N -0.04 0.62 3.31 5.00 0.00 -1.26 -4.99 105.19 107.82 1mxl n GLY 70 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1mxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mxl s THR 71 N -2.46 0.00 0.24 2.61 -4.23 -1.26 -4.68 115.64 105.86 1mxl s THR 71 Ca 0.00 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1mxl s THR 71 Cb 0.00 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.27 1mxl s THR 71 CO 0.00 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.38 1mxl s VAL 72 N -3.57 1.13 0.32 2.29 1.01 -0.86 -4.91 120.40 115.82 1mxl s VAL 72 Ca 0.38 -2.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.31 1mxl s VAL 72 Cb 0.03 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1mxl s VAL 72 CO 0.22 -0.31 0.41 -0.62 0.00 0.00 0.00 175.10 174.79 1mxl s ASP 73 N -3.33 0.98 0.47 3.32 -1.08 -1.26 -2.69 116.67 113.07 1mxl s ASP 73 Ca 0.29 -1.51 0.25 0.00 -0.52 0.00 0.00 52.55 51.06 1mxl s ASP 73 Cb 0.05 0.62 1.37 0.00 -1.46 0.00 0.00 42.92 43.50 1mxl s ASP 73 CO 0.09 -1.20 1.74 0.15 0.52 0.00 0.00 175.17 176.47 1mxl h PHE 74 N 2.16 0.00 0.00 -5.34 3.57 -1.97 0.60 116.94 115.96 1mxl h PHE 74 Ca -0.28 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 1mxl h PHE 74 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1mxl h PHE 74 CO 1.40 0.00 -0.58 0.22 -2.23 0.00 0.00 178.31 177.11 1mxl h ASP 75 N 0.00 0.00 0.93 0.41 1.82 -2.00 -3.22 116.42 114.36 1mxl h ASP 75 Ca 0.00 -0.54 -0.15 0.00 -0.39 0.00 0.00 57.03 55.95 1mxl h ASP 75 Cb 0.37 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1mxl h ASP 75 CO 0.00 1.11 -0.69 -0.33 -1.61 0.00 0.00 179.24 177.72 1mxl h GLU 76 N -1.00 0.00 -0.58 0.28 5.08 -1.67 -3.22 114.58 113.48 1mxl h GLU 76 Ca -0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1mxl h GLU 76 Cb 0.94 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1mxl h GLU 76 CO -0.09 0.69 -0.01 0.35 -1.00 0.00 0.00 179.01 178.95 1mxl h PHE 77 N 0.00 1.11 0.00 4.33 3.57 0.02 -2.08 116.94 123.89 1mxl h PHE 77 Ca -0.01 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1mxl h PHE 77 Cb 1.34 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1mxl h PHE 77 CO 0.00 0.98 0.00 -0.07 -2.23 0.00 0.00 178.31 176.99 1mxl h LEU 78 N 0.93 0.00 0.14 0.59 3.38 -1.56 -2.07 115.31 116.72 1mxl h LEU 78 Ca 0.17 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.95 1mxl h LEU 78 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1mxl h LEU 78 CO 0.03 0.00 -0.82 0.58 0.09 0.00 0.00 178.44 178.32 1mxl h VAL 79 N 0.00 1.50 -0.33 1.22 2.07 -1.49 -3.23 116.25 116.00 1mxl h VAL 79 Ca 0.00 -2.52 0.09 0.00 0.82 0.00 0.00 66.70 65.09 1mxl h VAL 79 Cb 0.00 3.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1mxl h VAL 79 CO 0.00 0.72 0.43 -0.03 0.02 0.00 0.00 177.57 178.71 1mxl h MET 80 N -0.34 0.00 0.16 1.57 4.05 -1.38 0.11 114.93 119.09 1mxl h MET 80 Ca -0.14 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.99 1mxl h MET 80 Cb 1.64 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.46 1mxl h MET 80 CO 0.16 0.00 -1.29 0.52 0.23 0.00 0.00 176.91 176.52 1mxl h MET 81 N 0.00 0.34 -0.08 0.39 2.07 -1.59 -3.28 114.93 112.78 1mxl h MET 81 Ca 0.15 -0.57 -0.08 0.00 -2.07 0.00 0.00 59.70 57.13 1mxl h MET 81 Cb 1.02 0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 30.95 1mxl h MET 81 CO -0.00 1.27 -0.31 0.28 1.07 0.00 0.00 176.91 179.22 1mxl h VAL 82 N 0.09 1.25 0.00 -2.22 2.07 -0.82 -2.37 116.25 114.26 1mxl h VAL 82 Ca -0.16 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1mxl h VAL 82 Cb 2.01 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1mxl h VAL 82 CO 0.22 0.36 0.00 0.03 0.02 0.00 0.00 177.57 178.20 1mxl h ARG 83 N 0.13 0.00 -1.09 1.57 3.08 -1.53 -2.51 114.38 114.03 1mxl h ARG 83 Ca 0.02 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.53 1mxl h ARG 83 Cb 0.63 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.25 1mxl h ARG 83 CO 0.05 0.00 -0.83 0.00 -1.07 0.00 0.00 179.97 178.12 1mxl n MET 85 N -0.55 0.04 -3.58 0.00 2.81 -0.95 -4.94 117.12 109.95 1mxl n MET 85 Ca 0.37 -0.03 -0.24 0.00 -1.81 0.00 0.00 57.70 55.99 1mxl n MET 85 Cb 0.81 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.79 1mxl n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mxl n LYS 86 N -1.46 -2.30 0.13 0.03 3.00 -1.26 -4.80 118.16 111.50 1mxl n LYS 86 Ca 0.05 0.22 -0.13 0.00 -0.00 0.00 0.00 58.31 58.45 1mxl n LYS 86 Cb 0.34 -4.82 -0.08 0.00 0.00 0.00 0.00 35.03 30.46 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1mxl h ASP 87 N -0.68 -0.28 0.00 3.14 5.19 -1.92 -3.26 116.42 118.62 1mxl h ASP 87 Ca -0.38 -0.20 -0.47 0.00 -0.62 0.00 0.00 57.03 55.37 1mxl h ASP 87 Cb 1.25 0.07 0.02 0.00 0.18 0.00 0.00 39.33 40.85 1mxl h ASP 87 CO 0.53 0.06 2.65 -0.67 -3.12 0.00 0.00 179.24 178.69 1mxl n ASP 88 N -5.10 4.62 0.00 6.45 -0.08 -1.26 -5.30 116.55 115.88 1mxl n ASP 88 Ca -0.09 -2.44 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 1mxl n ASP 88 Cb 0.24 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.55 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08