#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 5.92 -4.91 7.83 9.92 -1.26 -5.02 116.55 129.03 1mxl n ASP 2 Ca 0.00 -3.21 -0.24 0.00 -0.53 0.00 0.00 54.79 50.80 1mxl n ASP 2 Cb 0.00 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.12 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mxl s ASP 3 N -0.13 6.09 0.00 -2.24 -1.08 -1.26 -4.92 116.67 113.13 1mxl s ASP 3 Ca 0.31 0.05 0.00 0.00 -0.52 0.00 0.00 52.55 52.39 1mxl s ASP 3 Cb -0.03 -1.76 0.00 0.00 -1.46 0.00 0.00 42.92 39.67 1mxl s ASP 3 CO 0.00 0.02 0.00 0.00 0.52 0.00 0.00 175.17 175.71 1mxl n ILE 4 N -0.78 0.00 -0.13 4.11 3.06 -1.26 -5.00 119.36 119.36 1mxl n ILE 4 Ca -0.08 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.91 1mxl n ILE 4 Cb 0.55 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.63 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1mxl n TYR 5 N -1.21 0.31 -0.08 9.51 4.01 -1.26 -4.24 117.16 124.20 1mxl n TYR 5 Ca 0.00 0.14 0.26 0.00 -0.16 0.00 0.00 57.90 58.14 1mxl n TYR 5 Cb 0.00 -1.01 0.69 0.00 -0.31 0.00 0.00 39.34 38.71 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 -1.00 0.00 -0.22 -0.72 1.57 -1.96 0.11 116.57 114.35 1mxl h LYS 6 Ca -0.57 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.20 1mxl h LYS 6 Cb 1.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1mxl h LYS 6 CO -0.35 0.00 0.12 0.00 -0.57 0.00 0.00 179.45 178.65 1mxl h ALA 7 N 1.32 0.28 -0.61 3.86 0.00 -1.95 -2.17 119.26 119.99 1mxl h ALA 7 Ca 0.35 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1mxl h ALA 7 Cb 1.73 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1mxl h ALA 7 CO -0.00 -0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.47 1mxl h ALA 8 N 1.00 1.90 0.06 0.00 0.00 -0.98 -2.09 119.26 119.15 1mxl h ALA 8 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1mxl h ALA 8 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mxl h ALA 8 CO -0.01 -0.02 -0.03 0.28 0.00 0.00 0.00 179.25 179.47 1mxl h VAL 9 N 0.51 1.07 -0.22 0.00 2.07 -1.35 -2.39 116.25 115.93 1mxl h VAL 9 Ca 0.27 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1mxl h VAL 9 Cb 0.41 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1mxl h VAL 9 CO -0.08 0.11 0.19 -0.08 0.02 0.00 0.00 177.57 177.73 1mxl h GLU 10 N -0.29 0.00 -0.68 1.57 4.81 -0.99 0.16 114.58 119.17 1mxl h GLU 10 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1mxl h GLU 10 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1mxl h GLU 10 CO 0.01 0.00 0.01 1.04 -0.73 0.00 0.00 179.01 179.35 1mxl n GLN 11 N -4.15 4.08 -1.42 1.92 6.02 -0.93 -4.96 117.38 117.93 1mxl n GLN 11 Ca 0.02 -2.52 -0.31 0.00 -0.01 0.00 0.00 57.00 54.18 1mxl n GLN 11 Cb 0.33 -2.12 0.08 0.00 1.02 0.00 0.00 30.24 29.56 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mxl s LEU 12 N -2.22 2.90 0.56 1.08 1.43 0.58 -5.03 118.68 117.97 1mxl s LEU 12 Ca 0.44 1.61 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1mxl s LEU 12 Cb 0.34 -4.33 0.03 0.00 0.03 0.00 0.00 46.19 42.26 1mxl s LEU 12 CO 0.13 -1.87 0.80 0.42 0.23 0.00 0.00 176.35 176.06 1mxl s THR 13 N -3.01 2.81 0.20 5.49 -4.23 -1.26 -4.95 115.64 110.69 1mxl s THR 13 Ca 0.60 -0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 60.49 1mxl s THR 13 Cb -0.16 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.63 1mxl s THR 13 CO 0.55 -0.06 1.60 -0.08 -0.54 0.00 0.00 174.62 176.09 1mxl h GLU 14 N 0.00 0.83 -0.20 3.99 4.57 -2.00 -2.56 114.58 119.22 1mxl h GLU 14 Ca -0.43 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.39 1mxl h GLU 14 Cb 1.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1mxl h GLU 14 CO 0.54 0.98 0.09 1.49 -1.18 0.00 0.00 179.01 180.94 1mxl h GLU 15 N 0.72 0.28 0.74 1.92 4.81 -2.00 -2.83 114.58 118.23 1mxl h GLU 15 Ca 0.10 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1mxl h GLU 15 Cb 0.77 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.10 1mxl h GLU 15 CO 0.06 0.31 -0.35 0.37 -0.73 0.00 0.00 179.01 178.67 1mxl h GLN 16 N 0.18 -0.96 -1.51 1.92 5.75 -1.94 -1.98 115.11 116.58 1mxl h GLN 16 Ca 0.07 0.07 0.44 0.00 -0.15 0.00 0.00 58.65 59.07 1mxl h GLN 16 Cb 0.13 0.22 -0.06 0.00 1.07 0.00 0.00 27.48 28.83 1mxl h GLN 16 CO -0.01 -0.64 1.09 -0.22 -2.65 0.00 0.00 178.83 176.41 1mxl h LYS 17 N -0.99 0.00 0.00 1.69 1.63 -1.45 1.36 116.57 118.81 1mxl h LYS 17 Ca -0.10 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.61 1mxl h LYS 17 Cb 0.76 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 1mxl h LYS 17 CO 0.17 0.00 -0.42 -0.91 -3.45 0.00 0.00 179.45 174.83 1mxl h ASN 18 N 0.00 0.00 1.44 4.20 2.35 -1.10 -3.15 115.58 119.32 1mxl h ASN 18 Ca 0.71 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.43 1mxl h ASN 18 Cb 2.89 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 41.25 1mxl h ASN 18 CO -0.01 0.42 -0.57 1.05 -1.65 0.00 0.00 177.43 176.67 1mxl h GLU 19 N 0.00 0.00 -0.02 0.81 -0.00 0.20 -3.35 114.58 112.23 1mxl h GLU 19 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.28 1mxl h GLU 19 Cb 1.12 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.88 1mxl h GLU 19 CO 0.05 0.11 -0.29 0.74 -0.00 0.00 0.00 179.01 179.62 1mxl h PHE 20 N 0.00 0.33 -1.03 2.06 0.04 -1.40 -3.21 116.94 113.73 1mxl h PHE 20 Ca -0.02 -0.17 0.25 0.00 2.80 0.00 0.00 57.97 60.84 1mxl h PHE 20 Cb 1.12 -0.04 -0.10 0.00 2.20 0.00 0.00 35.95 39.13 1mxl h PHE 20 CO 0.00 0.94 0.65 0.87 -0.60 0.00 0.00 178.31 180.17 1mxl h LYS 21 N -0.39 0.44 0.89 1.51 6.56 -1.68 -1.67 116.57 122.23 1mxl h LYS 21 Ca -0.03 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.49 1mxl h LYS 21 Cb 1.01 -0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.58 1mxl h LYS 21 CO 0.06 0.29 -0.46 0.00 -2.06 0.00 0.00 179.45 177.28 1mxl h ALA 22 N 1.64 -1.25 -0.46 3.86 0.00 -1.69 -1.01 119.26 120.34 1mxl h ALA 22 Ca 0.59 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.30 1mxl h ALA 22 Cb 1.40 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1mxl h ALA 22 CO -0.32 -1.21 0.14 0.00 0.00 0.00 0.00 179.25 177.86 1mxl h ALA 23 N -1.16 0.54 -0.59 0.00 0.00 -1.40 -1.94 119.26 114.71 1mxl h ALA 23 Ca -0.12 0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1mxl h ALA 23 Cb 0.96 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1mxl h ALA 23 CO 0.18 -0.26 0.25 0.35 0.00 0.00 0.00 179.25 179.76 1mxl h PHE 24 N 0.29 0.43 -0.33 0.00 3.04 -1.21 0.61 116.94 119.77 1mxl h PHE 24 Ca 0.22 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.22 1mxl h PHE 24 Cb 0.25 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 1mxl h PHE 24 CO -0.18 0.15 0.17 -0.44 -2.02 0.00 0.00 178.31 175.98 1mxl h ASP 25 N 0.45 0.25 -0.13 0.41 3.32 -0.43 -1.90 116.42 118.39 1mxl h ASP 25 Ca 0.29 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 1mxl h ASP 25 Cb 0.31 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1mxl h ASP 25 CO -0.26 0.19 -0.28 0.40 -1.72 0.00 0.00 179.24 177.57 1mxl h ILE 26 N 0.35 1.28 0.00 0.35 5.03 -0.93 -1.43 117.51 122.15 1mxl h ILE 26 Ca 0.14 -1.37 0.00 0.00 -0.12 0.00 0.00 64.86 63.51 1mxl h ILE 26 Cb 0.05 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 1mxl h ILE 26 CO -0.09 0.44 0.00 0.49 -0.68 0.00 0.00 178.15 178.31 1mxl n PHE 27 N -4.10 0.32 -1.92 1.37 3.01 0.15 -2.91 117.46 113.39 1mxl n PHE 27 Ca -0.00 0.12 0.05 0.00 1.01 0.00 0.00 57.45 58.63 1mxl n PHE 27 Cb 0.44 -0.70 0.11 0.00 -0.01 0.00 0.00 39.48 39.32 1mxl n PHE 27 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1mxl n VAL 28 N -1.79 1.08 -1.56 -4.37 0.24 -0.76 -3.94 118.33 107.24 1mxl n VAL 28 Ca 0.03 -1.91 -0.13 0.00 -2.04 0.00 0.00 64.34 60.29 1mxl n VAL 28 Cb 0.21 0.31 -0.08 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.42 1.71 0.00 1.34 0.00 -0.58 -0.09 117.00 118.96 1mxl n LEU 29 Ca 0.12 -1.56 0.00 0.00 0.00 0.00 0.00 56.01 54.56 1mxl n LEU 29 Cb 0.86 -1.65 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1mxl n LEU 29 CO -0.03 -2.71 0.00 0.61 0.00 0.00 0.00 177.39 175.26 1mxl n GLY 30 N 6.74 0.89 3.74 -3.96 0.00 -1.26 -5.05 105.19 106.29 1mxl n GLY 30 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 2.26 -0.22 4.61 0.00 0.87 -4.98 121.76 122.29 1mxl s ALA 31 Ca 0.00 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.55 1mxl s ALA 31 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1mxl s ALA 31 CO 0.00 -1.63 -0.19 0.39 0.00 0.00 0.00 175.76 174.33 1mxl n GLU 32 N -2.58 0.55 -0.30 0.00 1.02 -1.26 -4.36 120.64 113.71 1mxl n GLU 32 Ca 0.12 0.37 0.05 0.00 -0.02 0.00 0.00 57.16 57.68 1mxl n GLU 32 Cb 0.51 -1.57 0.18 0.00 -0.02 0.00 0.00 31.44 30.54 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1mxl n ASP 33 N -4.39 2.60 -2.70 1.62 -0.08 -1.26 -4.90 116.55 107.43 1mxl n ASP 33 Ca -0.34 -2.19 -0.12 0.00 -1.51 0.00 0.00 54.79 50.63 1mxl n ASP 33 Cb 0.67 -0.39 0.06 0.00 2.34 0.00 0.00 41.12 43.80 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mxl n GLY 34 N 0.78 -0.13 3.42 0.27 0.00 -1.26 -5.03 105.19 103.24 1mxl n GLY 34 Ca 0.13 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.42 2.47 -0.16 0.00 1.01 -0.56 -4.64 121.20 115.91 1mxl s ILE 36 Ca 0.33 -2.40 0.08 0.00 0.00 0.00 0.00 60.65 58.65 1mxl s ILE 36 Cb 0.06 -2.31 0.22 0.00 0.01 0.00 0.00 42.46 40.44 1mxl s ILE 36 CO 0.15 -0.39 1.25 -1.20 0.00 0.00 0.00 174.94 174.74 1mxl n SER 37 N -0.62 -0.98 0.00 3.58 7.64 -1.26 -2.00 113.62 119.97 1mxl n SER 37 Ca -0.05 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1mxl n SER 37 Cb 0.60 0.40 0.00 0.00 -1.01 0.00 0.00 64.21 64.20 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1mxl n THR 38 N -0.66 0.00 -0.36 0.44 -2.24 -1.26 -4.55 114.28 105.64 1mxl n THR 38 Ca -0.20 0.00 0.28 0.00 -2.27 0.00 0.00 64.05 61.86 1mxl n THR 38 Cb 0.80 0.00 0.58 0.00 -2.10 0.00 0.00 70.33 69.61 1mxl n THR 38 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1mxl h LYS 39 N 0.00 0.25 0.04 -0.78 2.10 -1.95 2.15 116.57 118.38 1mxl h LYS 39 Ca 0.00 -0.02 -0.33 0.00 -2.00 0.00 0.00 60.65 58.30 1mxl h LYS 39 Cb 0.00 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.23 1mxl h LYS 39 CO 0.00 0.17 -1.97 0.39 -2.00 0.00 0.00 179.45 176.04 1mxl n GLU 40 N -4.59 0.68 -0.03 0.07 -0.58 -1.26 -3.99 120.64 110.93 1mxl n GLU 40 Ca 0.29 0.23 -0.14 0.00 -0.42 0.00 0.00 57.16 57.11 1mxl n GLU 40 Cb 1.08 -1.70 -0.11 0.00 -0.57 0.00 0.00 31.44 30.14 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mxl h LEU 41 N 0.02 0.15 -0.91 -4.62 5.85 -0.75 -3.25 115.31 111.80 1mxl h LEU 41 Ca -0.39 -0.70 0.17 0.00 0.84 0.00 0.00 57.88 57.80 1mxl h LEU 41 Cb 2.05 -0.05 -0.10 0.00 0.37 0.00 0.00 40.66 42.93 1mxl h LEU 41 CO 0.06 0.83 0.49 1.23 -0.34 0.00 0.00 178.44 180.71 1mxl h GLY 42 N -0.51 1.55 -0.55 3.75 0.00 0.32 0.12 103.07 107.75 1mxl h GLY 42 Ca -0.01 -0.28 0.29 0.00 0.00 0.00 0.00 47.33 47.33 1mxl h GLY 42 CO 0.03 -0.08 0.99 0.50 0.00 0.00 0.00 176.54 177.98 1mxl h LYS 43 N 0.64 0.00 0.09 4.80 1.57 -1.69 0.52 116.57 122.51 1mxl h LYS 43 Ca 0.52 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.99 1mxl h LYS 43 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1mxl h LYS 43 CO -0.40 0.00 -1.63 0.28 -0.57 0.00 0.00 179.45 177.13 1mxl h VAL 44 N 0.00 1.01 -0.98 0.50 2.07 -0.92 -3.35 116.25 114.58 1mxl h VAL 44 Ca 0.48 -2.71 0.14 0.00 0.82 0.00 0.00 66.70 65.42 1mxl h VAL 44 Cb 2.46 2.65 -0.15 0.00 -1.52 0.00 0.00 31.29 34.73 1mxl h VAL 44 CO -0.01 0.77 -0.44 0.24 0.02 0.00 0.00 177.57 178.16 1mxl h MET 45 N 0.05 -0.01 0.00 1.57 2.86 0.05 2.13 114.93 121.59 1mxl h MET 45 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1mxl h MET 45 Cb 2.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.67 1mxl h MET 45 CO 0.13 -0.01 0.00 0.07 1.06 0.00 0.00 176.91 178.16 1mxl h ARG 46 N -0.01 0.00 0.08 1.72 -0.00 -1.31 0.98 114.38 115.84 1mxl h ARG 46 Ca 0.30 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 60.00 1mxl h ARG 46 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.51 1mxl h ARG 46 CO -0.96 0.00 -1.39 0.52 -0.00 0.00 0.00 179.97 178.13 1mxl h MET 47 N 0.00 0.17 0.00 0.08 2.86 0.31 -3.28 114.93 115.07 1mxl h MET 47 Ca 0.00 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1mxl h MET 47 Cb 0.38 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1mxl h MET 47 CO 0.00 1.03 0.00 -0.07 1.06 0.00 0.00 176.91 178.93 1mxl h LEU 48 N 0.05 0.00 0.00 1.22 3.38 0.20 -3.46 115.31 116.69 1mxl h LEU 48 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1mxl h LEU 48 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 1mxl h LEU 48 CO 0.15 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1mxl n GLY 49 N 0.97 1.57 3.22 0.83 0.00 -1.06 -5.10 105.19 105.62 1mxl n GLY 49 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1mxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mxl s GLN 50 N -0.10 1.31 -0.48 1.61 -0.21 0.31 -5.01 119.66 117.10 1mxl s GLN 50 Ca 0.00 -1.71 0.04 0.00 0.02 0.00 0.00 55.36 53.71 1mxl s GLN 50 Cb 0.00 0.24 0.21 0.00 1.00 0.00 0.00 33.01 34.45 1mxl s GLN 50 CO 0.00 -0.43 0.84 -1.71 -2.12 0.00 0.00 175.29 171.87 1mxl n ASN 51 N -0.50 -2.96 -3.28 5.90 2.85 -1.26 -1.38 115.26 114.64 1mxl n ASN 51 Ca 0.03 -2.62 0.00 0.00 -0.11 0.00 0.00 54.58 51.88 1mxl n ASN 51 Cb 0.65 1.56 0.00 0.00 1.24 0.00 0.00 39.78 43.24 1mxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1mxl n PRO 52 N 2.60 0.88 -4.03 1.20 -0.04 -1.26 -5.06 135.00 129.29 1mxl n PRO 52 Ca 0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.39 1mxl n PRO 52 Cb 0.59 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1mxl n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mxl s THR 53 N -0.07 3.91 0.12 0.52 -4.23 -1.26 -5.01 115.64 109.61 1mxl s THR 53 Ca 0.00 -1.47 0.18 0.00 -1.18 0.00 0.00 61.69 59.22 1mxl s THR 53 Cb 0.00 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.72 1mxl s THR 53 CO 0.00 -0.28 1.68 1.55 -0.54 0.00 0.00 174.62 177.03 1mxl h PRO 54 N 1.46 0.00 -0.56 3.99 0.13 -2.00 -2.59 132.00 132.43 1mxl h PRO 54 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1mxl h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1mxl h PRO 54 CO 0.60 0.41 0.20 0.93 -0.23 0.00 0.00 178.00 179.91 1mxl h GLU 55 N 0.00 0.84 0.00 0.86 3.07 -2.04 -2.87 114.58 114.44 1mxl h GLU 55 Ca -0.00 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.57 1mxl h GLU 55 Cb 0.99 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 1mxl h GLU 55 CO 0.05 0.75 -0.70 1.49 -1.40 0.00 0.00 179.01 179.20 1mxl h GLU 56 N 0.76 0.00 -0.79 2.33 4.81 -1.97 -3.33 114.58 116.39 1mxl h GLU 56 Ca 0.18 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.58 1mxl h GLU 56 Cb 0.23 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.47 1mxl h GLU 56 CO -0.01 0.49 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.54 1mxl h LEU 57 N 0.00 -0.65 -1.50 1.64 3.38 -1.22 1.24 115.31 118.19 1mxl h LEU 57 Ca -0.03 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1mxl h LEU 57 Cb 1.44 0.46 -0.05 0.00 0.09 0.00 0.00 40.66 42.60 1mxl h LEU 57 CO 0.07 -0.25 0.48 -0.61 0.09 0.00 0.00 178.44 178.22 1mxl h GLN 58 N 0.02 0.52 -0.71 1.13 -0.00 -1.67 -0.72 115.11 113.68 1mxl h GLN 58 Ca 0.40 -0.03 0.09 0.00 -0.00 0.00 0.00 58.65 59.11 1mxl h GLN 58 Cb 0.64 -0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.93 1mxl h GLN 58 CO -0.79 0.34 0.36 1.49 0.00 0.00 0.00 178.83 180.23 1mxl h GLU 59 N 0.54 0.60 -0.93 1.69 4.22 0.14 0.48 114.58 121.31 1mxl h GLU 59 Ca 0.34 -0.04 0.15 0.00 0.08 0.00 0.00 59.36 59.90 1mxl h GLU 59 Cb 0.61 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 1mxl h GLU 59 CO -0.12 0.40 0.59 0.52 -2.18 0.00 0.00 179.01 178.22 1mxl h MET 60 N 0.62 0.71 0.09 1.92 2.86 -0.93 0.35 114.93 120.55 1mxl h MET 60 Ca 0.35 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1mxl h MET 60 Cb 0.35 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1mxl h MET 60 CO -0.26 0.47 -0.04 0.82 1.06 0.00 0.00 176.91 178.96 1mxl h ILE 61 N 0.73 1.14 -0.05 -1.22 5.03 -0.98 -3.14 117.51 119.02 1mxl h ILE 61 Ca 0.48 -1.35 0.01 0.00 -0.12 0.00 0.00 64.86 63.89 1mxl h ILE 61 Cb 0.75 1.94 -0.00 0.00 -3.03 0.00 0.00 36.82 36.47 1mxl h ILE 61 CO -0.24 0.30 0.06 0.44 -0.68 0.00 0.00 178.15 178.03 1mxl h ASP 62 N -0.79 0.00 -0.48 1.72 5.19 -0.57 -2.09 116.42 119.40 1mxl h ASP 62 Ca -0.01 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1mxl h ASP 62 Cb 0.59 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 1mxl h ASP 62 CO 0.02 0.00 0.31 -0.33 -3.12 0.00 0.00 179.24 176.12 1mxl h GLU 63 N 0.00 0.61 -1.53 3.56 4.39 -0.26 -3.14 114.58 118.20 1mxl h GLU 63 Ca 0.02 -0.04 -0.60 0.00 0.34 0.00 0.00 59.36 59.08 1mxl h GLU 63 Cb 0.14 -0.14 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 1mxl h GLU 63 CO -0.00 0.40 -0.57 1.33 -1.16 0.00 0.00 179.01 179.01 1mxl n VAL 64 N -4.77 2.49 -4.70 3.13 0.24 -0.82 -5.01 118.33 108.89 1mxl n VAL 64 Ca 0.02 -4.85 -0.33 0.00 -2.04 0.00 0.00 64.34 57.15 1mxl n VAL 64 Cb 0.04 -1.26 -0.15 0.00 -1.47 0.00 0.00 33.84 31.00 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 -3.32 3.82 0.00 -1.34 -1.08 -1.04 -4.58 116.67 109.13 1mxl s ASP 65 Ca 0.49 -0.40 0.21 0.00 -0.52 0.00 0.00 52.55 52.32 1mxl s ASP 65 Cb 0.40 -1.58 0.34 0.00 -1.46 0.00 0.00 42.92 40.62 1mxl s ASP 65 CO -0.20 0.13 1.30 -0.62 0.52 0.00 0.00 175.17 176.30 1mxl n GLU 66 N 3.75 2.28 0.00 4.34 -0.58 -1.26 -4.34 120.64 124.83 1mxl n GLU 66 Ca -0.19 -2.09 0.00 0.00 -0.42 0.00 0.00 57.16 54.47 1mxl n GLU 66 Cb 0.52 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 1.29 0.25 -4.31 1.62 5.68 -1.26 -5.01 116.55 114.81 1mxl n ASP 67 Ca 0.16 -1.06 -0.36 0.00 -0.50 0.00 0.00 54.79 53.03 1mxl n ASP 67 Cb 0.55 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.47 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mxl n GLY 68 N -0.03 -0.32 0.18 6.12 0.00 -1.26 -4.79 105.19 105.10 1mxl n GLY 68 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1mxl n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mxl h SER 69 N -1.42 0.00 0.00 1.61 4.64 -1.95 -3.48 113.55 112.96 1mxl h SER 69 Ca -0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1mxl h SER 69 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1mxl h SER 69 CO 0.78 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1mxl n GLY 70 N 1.15 2.93 3.96 -0.77 0.00 -1.26 -5.06 105.19 106.15 1mxl n GLY 70 Ca 0.02 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.55 2.41 0.19 2.61 -4.23 -1.26 -4.79 115.64 110.03 1mxl s THR 71 Ca 0.00 -1.18 0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1mxl s THR 71 Cb 0.00 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 1mxl s THR 71 CO 0.00 0.00 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.16 1mxl s VAL 72 N -2.55 2.26 0.37 2.29 1.01 -0.85 -4.84 120.40 118.09 1mxl s VAL 72 Ca 0.52 -2.04 0.03 0.00 0.00 0.00 0.00 61.98 60.49 1mxl s VAL 72 Cb -0.05 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1mxl s VAL 72 CO 0.31 -0.17 0.09 -0.62 0.00 0.00 0.00 175.10 174.71 1mxl s ASP 73 N -2.73 2.58 0.47 3.32 -1.08 -1.26 -1.49 116.67 116.48 1mxl s ASP 73 Ca 0.20 -1.52 0.25 0.00 -0.52 0.00 0.00 52.55 50.96 1mxl s ASP 73 Cb -0.07 0.21 1.34 0.00 -1.46 0.00 0.00 42.92 42.94 1mxl s ASP 73 CO 0.10 -0.76 1.72 0.15 0.52 0.00 0.00 175.17 176.89 1mxl h PHE 74 N 1.95 0.00 0.12 -5.34 3.04 -2.00 0.30 116.94 115.01 1mxl h PHE 74 Ca -0.38 0.00 -0.24 0.00 3.98 0.00 0.00 57.97 61.32 1mxl h PHE 74 Cb 1.26 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.78 1mxl h PHE 74 CO 1.01 0.00 -1.17 -0.44 -2.02 0.00 0.00 178.31 175.69 1mxl h ASP 75 N 0.00 0.41 1.08 0.41 5.19 -1.99 -3.26 116.42 118.26 1mxl h ASP 75 Ca 0.00 -0.89 -0.15 0.00 -0.62 0.00 0.00 57.03 55.38 1mxl h ASP 75 Cb 0.39 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1mxl h ASP 75 CO 0.00 1.53 -0.70 -0.33 -3.12 0.00 0.00 179.24 176.61 1mxl h GLU 76 N -0.34 0.00 -0.04 3.56 5.08 -1.47 -3.30 114.58 118.07 1mxl h GLU 76 Ca -0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1mxl h GLU 76 Cb 1.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1mxl h GLU 76 CO 0.09 0.70 0.02 0.35 -1.00 0.00 0.00 179.01 179.17 1mxl h PHE 77 N 0.00 0.06 -0.99 4.33 3.04 -1.13 -2.75 116.94 119.50 1mxl h PHE 77 Ca -0.01 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.11 1mxl h PHE 77 Cb 1.43 -0.02 -0.10 0.00 2.56 0.00 0.00 35.95 39.83 1mxl h PHE 77 CO 0.00 0.20 0.62 -0.07 -2.02 0.00 0.00 178.31 177.03 1mxl h LEU 78 N -0.10 0.78 -2.30 0.59 3.38 -1.63 0.47 115.31 116.49 1mxl h LEU 78 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1mxl h LEU 78 Cb 0.16 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1mxl h LEU 78 CO -0.00 0.32 0.00 0.58 0.09 0.00 0.00 178.44 179.43 1mxl h VAL 79 N 0.79 0.00 -0.13 1.22 2.07 -1.58 -2.01 116.25 116.61 1mxl h VAL 79 Ca 0.54 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.78 1mxl h VAL 79 Cb 0.82 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1mxl h VAL 79 CO -0.32 0.00 -0.76 -0.03 0.02 0.00 0.00 177.57 176.48 1mxl h MET 80 N 0.00 0.66 0.13 1.57 -1.53 -0.02 -2.84 114.93 112.90 1mxl h MET 80 Ca 0.00 -0.54 -0.28 0.00 -3.44 0.00 0.00 59.70 55.44 1mxl h MET 80 Cb 0.08 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.24 1mxl h MET 80 CO 0.00 1.15 -1.32 0.52 0.14 0.00 0.00 176.91 177.41 1mxl h MET 81 N 0.45 0.27 -0.68 0.39 2.07 -1.42 -3.31 114.93 112.70 1mxl h MET 81 Ca -0.04 -0.46 -0.06 0.00 -2.07 0.00 0.00 59.70 57.07 1mxl h MET 81 Cb 1.37 0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 31.24 1mxl h MET 81 CO 0.15 1.19 0.20 0.28 1.07 0.00 0.00 176.91 179.80 1mxl h VAL 82 N 0.07 1.25 0.00 -2.22 2.07 -1.52 -0.17 116.25 115.74 1mxl h VAL 82 Ca -0.16 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1mxl h VAL 82 Cb 1.99 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1mxl h VAL 82 CO 0.19 0.34 -0.02 0.03 0.02 0.00 0.00 177.57 178.13 1mxl h ARG 83 N 1.01 0.00 -0.06 1.57 3.08 -1.59 -1.34 114.38 117.05 1mxl h ARG 83 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1mxl h ARG 83 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1mxl h ARG 83 CO -0.01 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1mxl n MET 85 N 1.25 0.20 -4.04 0.00 2.81 -0.13 -4.95 117.12 112.26 1mxl n MET 85 Ca 0.13 0.31 -0.24 0.00 -1.81 0.00 0.00 57.70 56.09 1mxl n MET 85 Cb 0.55 -1.10 -0.04 0.00 -0.71 0.00 0.00 33.22 31.93 1mxl n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1mxl s LYS 86 N -1.59 3.15 -0.41 0.03 1.02 -1.07 -4.76 119.74 116.10 1mxl s LYS 86 Ca -0.08 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 54.92 1mxl s LYS 86 Cb 0.01 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1mxl s LYS 86 CO 0.11 0.46 0.53 -0.25 -0.92 0.00 0.00 175.35 175.28 1mxl n ASP 87 N -0.82 -7.73 -1.46 2.83 8.00 -1.26 -4.76 116.55 111.34 1mxl n ASP 87 Ca -0.08 0.58 -0.08 0.00 0.71 0.00 0.00 54.79 55.92 1mxl n ASP 87 Cb 0.56 -5.00 0.10 0.00 -0.02 0.00 0.00 41.12 36.76 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mxl n ASP 88 N -0.15 3.29 0.00 -2.24 2.03 -1.26 -4.86 116.55 113.36 1mxl n ASP 88 Ca 0.09 -2.65 0.00 0.00 0.52 0.00 0.00 54.79 52.74 1mxl n ASP 88 Cb 0.43 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04