#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 0.00 -4.54 7.83 -0.08 -1.26 -4.95 116.55 113.56 1mxl n ASP 2 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 1mxl n ASP 2 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1mxl s ASP 3 N -1.00 6.39 0.00 1.67 -1.08 -1.26 -4.59 116.67 116.80 1mxl s ASP 3 Ca 0.00 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.84 1mxl s ASP 3 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1mxl s ASP 3 CO 0.00 -1.55 0.00 -0.38 0.52 0.00 0.00 175.17 173.76 1mxl n ILE 4 N 6.51 0.00 -0.06 4.11 5.41 -1.26 -4.73 119.36 129.35 1mxl n ILE 4 Ca 0.21 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.92 1mxl n ILE 4 Cb 0.50 -0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 38.84 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 -1.50 0.67 -0.41 1.39 4.02 -1.26 -3.66 117.16 116.40 1mxl n TYR 5 Ca 0.00 0.29 0.33 0.00 -0.01 0.00 0.00 57.90 58.51 1mxl n TYR 5 Cb 0.31 -0.64 0.62 0.00 -0.02 0.00 0.00 39.34 39.61 1mxl n TYR 5 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1mxl h LYS 6 N -0.78 0.17 0.61 -0.72 1.57 -1.92 -1.04 116.57 114.45 1mxl h LYS 6 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1mxl h LYS 6 Cb 0.43 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.71 1mxl h LYS 6 CO 0.00 0.11 -0.29 0.00 -0.57 0.00 0.00 179.45 178.70 1mxl h ALA 7 N 1.56 -0.97 -1.17 3.86 0.00 -1.85 -2.13 119.26 118.56 1mxl h ALA 7 Ca 0.73 -0.18 0.34 0.00 0.00 0.00 0.00 54.91 55.80 1mxl h ALA 7 Cb 2.25 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 20.31 1mxl h ALA 7 CO -0.32 -0.91 0.98 0.00 0.00 0.00 0.00 179.25 179.01 1mxl h ALA 8 N -1.42 3.06 0.28 0.00 0.00 -1.27 -0.50 119.26 119.41 1mxl h ALA 8 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1mxl h ALA 8 Cb 0.63 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1mxl h ALA 8 CO 0.14 -1.58 -0.13 0.28 0.00 0.00 0.00 179.25 177.95 1mxl h VAL 9 N 0.00 0.15 -0.06 0.00 2.07 -1.13 -3.08 116.25 114.20 1mxl h VAL 9 Ca 0.55 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1mxl h VAL 9 Cb 2.50 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1mxl h VAL 9 CO -0.01 0.04 0.35 -0.33 0.02 0.00 0.00 177.57 177.65 1mxl h GLU 10 N -1.07 0.00 0.00 1.57 3.07 -0.46 0.57 114.58 118.26 1mxl h GLU 10 Ca -0.04 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 1mxl h GLU 10 Cb 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1mxl h GLU 10 CO 0.06 0.00 -0.22 0.37 -1.40 0.00 0.00 179.01 177.82 1mxl h GLN 11 N 0.00 0.00 -6.22 2.33 4.15 -1.29 -3.46 115.11 110.62 1mxl h GLN 11 Ca 0.03 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.99 1mxl h GLN 11 Cb 0.74 0.00 0.24 0.00 0.21 0.00 0.00 27.48 28.67 1mxl h GLN 11 CO -0.00 0.22 -1.99 1.28 -1.93 0.00 0.00 178.83 176.41 1mxl n LEU 12 N -3.16 -2.69 -4.41 -2.39 4.77 0.20 -5.01 117.00 104.32 1mxl n LEU 12 Ca 0.03 -0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.75 1mxl n LEU 12 Cb 0.61 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1mxl n LEU 12 CO 0.37 -2.72 -0.31 0.42 -1.33 0.00 0.00 177.39 173.82 1mxl s THR 13 N -2.09 1.26 0.11 -5.08 -4.23 -1.26 -4.99 115.64 99.36 1mxl s THR 13 Ca 0.42 -2.04 -0.25 0.00 -1.18 0.00 0.00 61.69 58.64 1mxl s THR 13 Cb 0.02 -2.56 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 1mxl s THR 13 CO 0.63 -0.18 1.68 -0.08 -0.54 0.00 0.00 174.62 176.13 1mxl h GLU 14 N 2.27 -0.27 -0.23 3.99 4.57 -1.99 0.14 114.58 123.07 1mxl h GLU 14 Ca -0.40 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 1mxl h GLU 14 Cb 1.23 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 1mxl h GLU 14 CO 0.67 -0.18 0.10 1.49 -1.18 0.00 0.00 179.01 179.91 1mxl h GLU 15 N -0.28 0.33 -0.62 1.92 4.81 -1.99 -2.06 114.58 116.70 1mxl h GLU 15 Ca 0.03 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1mxl h GLU 15 Cb 0.31 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1mxl h GLU 15 CO -0.10 0.37 0.31 0.37 -0.73 0.00 0.00 179.01 179.24 1mxl h GLN 16 N 0.22 0.56 -1.00 1.92 5.75 -1.90 -1.00 115.11 119.66 1mxl h GLN 16 Ca 0.08 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1mxl h GLN 16 Cb 0.16 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.53 1mxl h GLN 16 CO -0.01 0.37 0.66 -0.22 -2.65 0.00 0.00 178.83 176.99 1mxl h LYS 17 N 0.58 1.29 0.00 1.69 3.11 -0.47 0.41 116.57 123.19 1mxl h LYS 17 Ca 0.28 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 58.04 1mxl h LYS 17 Cb 0.22 -0.29 -0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1mxl h LYS 17 CO -0.20 0.86 -0.05 -0.91 -2.81 0.00 0.00 179.45 176.34 1mxl h ASN 18 N 1.33 0.00 0.37 4.20 2.35 -0.49 -1.11 115.58 122.23 1mxl h ASN 18 Ca 0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 1mxl h ASN 18 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1mxl h ASN 18 CO -0.09 0.05 -0.18 -0.08 -1.65 0.00 0.00 177.43 175.48 1mxl h GLU 19 N 0.00 -0.47 -0.14 0.81 4.81 -0.23 -3.25 114.58 116.10 1mxl h GLU 19 Ca -0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1mxl h GLU 19 Cb 0.23 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1mxl h GLU 19 CO 0.01 -0.22 -0.10 0.27 -0.73 0.00 0.00 179.01 178.23 1mxl h PHE 20 N -1.06 0.22 -1.12 0.92 -5.15 -1.38 -2.43 116.94 106.94 1mxl h PHE 20 Ca -0.05 -0.02 0.32 0.00 -0.20 0.00 0.00 57.97 58.02 1mxl h PHE 20 Cb 0.47 -0.07 -0.11 0.00 0.22 0.00 0.00 35.95 36.47 1mxl h PHE 20 CO 0.02 0.33 0.71 0.87 -2.00 0.00 0.00 178.31 178.24 1mxl h LYS 21 N 0.21 0.29 0.12 6.09 1.79 -1.23 -1.50 116.57 122.34 1mxl h LYS 21 Ca 0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1mxl h LYS 21 Cb 0.32 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1mxl h LYS 21 CO 0.02 0.19 -0.24 0.00 -1.08 0.00 0.00 179.45 178.34 1mxl h ALA 22 N 1.64 -0.82 -0.79 3.86 0.00 -1.51 -1.74 119.26 119.90 1mxl h ALA 22 Ca 0.68 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.62 1mxl h ALA 22 Cb 1.84 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 20.15 1mxl h ALA 22 CO -0.37 -0.87 0.44 0.00 0.00 0.00 0.00 179.25 178.45 1mxl h ALA 23 N -1.19 1.12 -0.92 0.00 0.00 -1.49 -0.84 119.26 115.93 1mxl h ALA 23 Ca -0.01 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.19 1mxl h ALA 23 Cb 0.37 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 1mxl h ALA 23 CO -0.09 0.05 0.38 0.35 0.00 0.00 0.00 179.25 179.94 1mxl h PHE 24 N 0.73 0.62 0.40 0.00 3.57 -0.75 0.49 116.94 122.00 1mxl h PHE 24 Ca 0.38 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1mxl h PHE 24 Cb 0.37 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1mxl h PHE 24 CO -0.07 -0.14 -0.19 0.22 -2.23 0.00 0.00 178.31 175.89 1mxl h ASP 25 N 0.31 -0.46 -0.20 0.41 1.82 -0.29 -2.95 116.42 115.07 1mxl h ASP 25 Ca 0.60 -0.08 0.06 0.00 -0.39 0.00 0.00 57.03 57.22 1mxl h ASP 25 Cb 1.24 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.36 1mxl h ASP 25 CO -0.60 -0.02 0.30 0.40 -1.61 0.00 0.00 179.24 177.71 1mxl h ILE 26 N -1.06 0.28 0.00 2.25 5.03 -0.98 0.58 117.51 123.61 1mxl h ILE 26 Ca -0.06 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.58 1mxl h ILE 26 Cb 0.51 0.74 -0.01 0.00 -3.03 0.00 0.00 36.82 35.03 1mxl h ILE 26 CO 0.09 0.00 -0.49 -0.26 -0.68 0.00 0.00 178.15 176.81 1mxl h PHE 27 N 0.00 0.00 -0.05 1.37 -1.00 0.04 -3.27 116.94 114.04 1mxl h PHE 27 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1mxl h PHE 27 Cb 0.69 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1mxl h PHE 27 CO 0.00 0.49 0.00 1.33 -1.61 0.00 0.00 178.31 178.52 1mxl n VAL 28 N -3.40 0.67 -0.27 -0.55 0.24 0.68 -2.89 118.33 112.81 1mxl n VAL 28 Ca 0.01 -0.84 0.34 0.00 -2.04 0.00 0.00 64.34 61.81 1mxl n VAL 28 Cb 0.64 0.68 0.71 0.00 -1.47 0.00 0.00 33.84 34.40 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1mxl h LEU 29 N 0.41 0.00 -0.66 1.34 3.38 -0.06 1.33 115.31 121.04 1mxl h LEU 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mxl h LEU 29 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1mxl h LEU 29 CO 0.00 0.00 -0.63 0.61 0.09 0.00 0.00 178.44 178.51 1mxl n GLY 30 N -1.73 -0.29 3.72 0.83 0.00 -1.26 -4.93 105.19 101.53 1mxl n GLY 30 Ca 0.24 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.57 3.50 -2.21 4.61 0.00 0.46 -4.89 121.76 120.64 1mxl s ALA 31 Ca 0.14 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.34 1mxl s ALA 31 Cb 0.17 -3.49 1.07 0.00 0.00 0.00 0.00 23.12 20.87 1mxl s ALA 31 CO 0.65 -0.52 1.73 -0.85 0.00 0.00 0.00 175.76 176.76 1mxl n GLU 32 N 3.77 1.43 0.00 0.00 -0.00 -1.26 -3.68 120.64 120.89 1mxl n GLU 32 Ca 0.10 -0.63 0.00 0.00 -0.00 0.00 0.00 57.16 56.63 1mxl n GLU 32 Cb 0.44 -1.40 0.00 0.00 -0.00 0.00 0.00 31.44 30.48 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 -0.18 2.77 0.00 -1.84 9.92 -1.26 -5.00 116.55 120.96 1mxl n ASP 33 Ca 0.17 -0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1mxl n ASP 33 Cb 0.24 0.95 0.00 0.00 -0.64 0.00 0.00 41.12 41.67 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mxl n GLY 34 N 1.78 0.92 3.78 0.44 0.00 -1.24 -5.08 105.19 105.79 1mxl n GLY 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.74 5.22 -0.09 0.00 1.01 0.50 -4.58 121.20 120.52 1mxl s ILE 36 Ca 0.27 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1mxl s ILE 36 Cb 0.02 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.86 1mxl s ILE 36 CO 0.16 -0.24 1.15 -1.20 0.00 0.00 0.00 174.94 174.81 1mxl n SER 37 N -1.06 -0.90 0.00 3.58 7.64 -1.26 -2.79 113.62 118.82 1mxl n SER 37 Ca -0.08 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1mxl n SER 37 Cb 0.56 0.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.37 0.00 -0.37 0.44 -2.24 -1.26 -4.39 114.28 106.09 1mxl n THR 38 Ca -0.22 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 61.86 1mxl n THR 38 Cb 0.78 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.60 1mxl n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1mxl h LYS 39 N 0.00 0.23 0.05 -0.78 1.57 -1.94 2.02 116.57 117.70 1mxl h LYS 39 Ca 0.00 -0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 1mxl h LYS 39 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1mxl h LYS 39 CO 0.00 0.15 -2.08 0.39 -0.57 0.00 0.00 179.45 177.34 1mxl n GLU 40 N -4.57 0.69 0.13 3.15 -0.58 -1.26 -3.85 120.64 114.35 1mxl n GLU 40 Ca 0.29 0.21 -0.10 0.00 -0.42 0.00 0.00 57.16 57.14 1mxl n GLU 40 Cb 1.13 -1.66 -0.06 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.03 -0.34 -0.93 -4.62 5.85 -0.55 -3.23 115.31 111.51 1mxl h LEU 41 Ca -0.44 -0.16 0.23 0.00 0.84 0.00 0.00 57.88 58.36 1mxl h LEU 41 Cb 2.03 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 43.03 1mxl h LEU 41 CO 0.04 0.13 0.46 1.23 -0.34 0.00 0.00 178.44 179.96 1mxl h GLY 42 N -0.99 1.67 -0.49 3.75 0.00 0.28 0.38 103.07 107.67 1mxl h GLY 42 Ca -0.04 -0.21 0.33 0.00 0.00 0.00 0.00 47.33 47.41 1mxl h GLY 42 CO 0.07 -0.27 0.92 0.50 0.00 0.00 0.00 176.54 177.76 1mxl h LYS 43 N 0.44 0.00 0.00 4.80 1.57 -1.65 1.06 116.57 122.80 1mxl h LYS 43 Ca 0.59 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.26 1mxl h LYS 43 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1mxl h LYS 43 CO -0.52 0.00 -0.66 0.28 -0.57 0.00 0.00 179.45 177.98 1mxl h VAL 44 N 0.00 0.82 -0.55 0.50 2.07 -0.36 -3.32 116.25 115.41 1mxl h VAL 44 Ca 0.55 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1mxl h VAL 44 Cb 2.39 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 34.50 1mxl h VAL 44 CO -0.01 0.47 0.36 0.24 0.02 0.00 0.00 177.57 178.65 1mxl h MET 45 N 0.00 0.74 0.00 1.57 2.86 0.12 -0.80 114.93 119.41 1mxl h MET 45 Ca -0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1mxl h MET 45 Cb 1.42 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1mxl h MET 45 CO 0.06 0.50 0.00 0.07 1.06 0.00 0.00 176.91 178.60 1mxl h ARG 46 N 0.75 0.00 0.05 1.72 0.11 -1.29 -1.24 114.38 114.47 1mxl h ARG 46 Ca 0.20 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.01 1mxl h ARG 46 Cb -0.07 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 30.99 1mxl h ARG 46 CO -0.04 0.00 -1.38 0.52 0.10 0.00 0.00 179.97 179.16 1mxl h MET 47 N 0.00 0.11 -0.01 0.08 2.86 -1.30 -3.27 114.93 113.40 1mxl h MET 47 Ca 0.00 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1mxl h MET 47 Cb 0.13 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.85 1mxl h MET 47 CO 0.00 0.93 0.00 1.28 1.06 0.00 0.00 176.91 180.18 1mxl n LEU 48 N -3.32 0.09 0.00 1.22 4.77 -0.78 -4.81 117.00 114.16 1mxl n LEU 48 Ca -0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1mxl n LEU 48 Cb 1.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.09 1mxl n LEU 48 CO 0.48 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1mxl n GLY 49 N 0.71 0.63 2.84 -0.72 0.00 -1.19 -5.05 105.19 102.42 1mxl n GLY 49 Ca 0.10 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 1mxl n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1mxl n GLN 50 N -2.63 0.46 -2.94 1.61 6.02 -0.54 -5.02 117.38 114.33 1mxl n GLN 50 Ca 0.00 -2.94 0.03 0.00 -0.01 0.00 0.00 57.00 54.08 1mxl n GLN 50 Cb 0.00 2.08 0.00 0.00 1.02 0.00 0.00 30.24 33.34 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1mxl s ASN 51 N -3.09 -0.53 0.91 1.08 2.47 -1.26 -1.65 114.94 112.87 1mxl s ASN 51 Ca 0.28 -0.15 -0.12 0.00 0.42 0.00 0.00 52.86 53.29 1mxl s ASN 51 Cb 0.01 0.89 0.14 0.00 -1.45 0.00 0.00 41.25 40.85 1mxl s ASN 51 CO 0.20 -0.07 1.12 -2.16 -3.72 0.00 0.00 177.10 172.46 1mxl s PRO 52 N 2.29 1.11 0.55 0.43 0.04 -1.26 -5.04 135.00 133.12 1mxl s PRO 52 Ca 0.19 0.43 -0.05 0.00 0.04 0.00 0.00 61.00 61.61 1mxl s PRO 52 Cb 0.00 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1mxl s PRO 52 CO -0.17 -2.25 0.84 0.95 0.04 0.00 0.00 177.00 176.42 1mxl s THR 53 N -3.16 3.93 0.20 1.26 -4.23 -1.26 -4.93 115.64 107.44 1mxl s THR 53 Ca 0.64 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.09 1mxl s THR 53 Cb -0.16 -3.53 -0.07 0.00 1.34 0.00 0.00 72.50 70.09 1mxl s THR 53 CO 0.55 -0.51 1.49 1.55 -0.54 0.00 0.00 174.62 177.16 1mxl h PRO 54 N -0.01 0.44 -0.83 3.99 0.13 -1.98 -0.02 132.00 133.72 1mxl h PRO 54 Ca -0.46 -0.31 0.01 0.00 -0.87 0.00 0.00 66.00 64.37 1mxl h PRO 54 Cb 1.25 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1mxl h PRO 54 CO 0.60 0.92 0.55 1.49 -0.23 0.00 0.00 178.00 181.33 1mxl h GLU 55 N 0.33 1.08 0.00 0.86 4.57 -2.02 -2.66 114.58 116.74 1mxl h GLU 55 Ca -0.01 -0.07 -0.22 0.00 -1.18 0.00 0.00 59.36 57.89 1mxl h GLU 55 Cb 1.16 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 1mxl h GLU 55 CO 0.11 0.72 -1.25 0.93 -1.18 0.00 0.00 179.01 178.33 1mxl h GLU 56 N 1.11 0.00 -0.32 1.92 5.08 -1.95 -3.36 114.58 117.06 1mxl h GLU 56 Ca 0.30 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1mxl h GLU 56 Cb -0.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1mxl h GLU 56 CO -0.07 0.65 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.02 1mxl h LEU 57 N 0.00 -1.67 -1.99 1.33 3.38 -0.62 0.85 115.31 116.59 1mxl h LEU 57 Ca -0.13 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.18 1mxl h LEU 57 Cb 1.78 0.68 -0.02 0.00 0.09 0.00 0.00 40.66 43.19 1mxl h LEU 57 CO 0.09 -0.38 0.44 -0.61 0.09 0.00 0.00 178.44 178.07 1mxl h GLN 58 N -0.39 0.00 0.00 1.13 -0.00 -1.71 0.35 115.11 114.49 1mxl h GLN 58 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1mxl h GLN 58 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.03 1mxl h GLN 58 CO -0.51 0.00 -0.04 1.49 0.00 0.00 0.00 178.83 179.77 1mxl h GLU 59 N 0.00 0.00 0.11 1.69 4.57 0.58 -0.03 114.58 121.49 1mxl h GLU 59 Ca 0.21 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 58.12 1mxl h GLU 59 Cb 1.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 1mxl h GLU 59 CO -0.00 0.04 -1.19 1.98 -1.18 0.00 0.00 179.01 178.66 1mxl h MET 60 N 0.00 0.29 0.01 1.92 1.85 -0.10 -3.03 114.93 115.88 1mxl h MET 60 Ca -0.00 -0.46 -0.20 0.00 -0.61 0.00 0.00 59.70 58.43 1mxl h MET 60 Cb 0.11 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 1mxl h MET 60 CO 0.01 1.20 -0.89 0.82 -0.40 0.00 0.00 176.91 177.64 1mxl h ILE 61 N 0.10 1.52 0.00 1.77 5.03 -1.32 -3.10 117.51 121.51 1mxl h ILE 61 Ca -0.12 -2.70 -0.04 0.00 -0.12 0.00 0.00 64.86 61.87 1mxl h ILE 61 Cb 1.90 2.51 -0.01 0.00 -3.03 0.00 0.00 36.82 38.20 1mxl h ILE 61 CO 0.20 0.78 -0.19 -0.78 -0.68 0.00 0.00 178.15 177.48 1mxl h ASP 62 N 0.09 0.00 1.02 1.72 1.82 -1.10 -2.30 116.42 117.67 1mxl h ASP 62 Ca -0.04 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1mxl h ASP 62 Cb 1.53 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.53 1mxl h ASP 62 CO 0.13 0.19 -0.39 -0.08 -1.61 0.00 0.00 179.24 177.49 1mxl h GLU 63 N 0.00 0.00 -1.47 0.28 4.57 -1.44 -3.32 114.58 113.19 1mxl h GLU 63 Ca -0.00 0.00 -0.46 0.00 -1.18 0.00 0.00 59.36 57.72 1mxl h GLU 63 Cb 0.65 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.83 1mxl h GLU 63 CO 0.03 0.39 -1.04 1.33 -1.18 0.00 0.00 179.01 178.54 1mxl n VAL 64 N -3.43 1.27 -3.42 0.32 0.24 -1.00 -4.99 118.33 107.32 1mxl n VAL 64 Ca 0.00 -4.08 -0.23 0.00 -2.04 0.00 0.00 64.34 57.99 1mxl n VAL 64 Cb 0.55 -0.18 -0.10 0.00 -1.47 0.00 0.00 33.84 32.64 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 -3.10 2.17 -0.23 -1.34 2.15 -0.90 -4.84 116.67 110.58 1mxl s ASP 65 Ca 0.37 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.50 1mxl s ASP 65 Cb 0.40 0.05 0.21 0.00 -0.30 0.00 0.00 42.92 43.28 1mxl s ASP 65 CO -0.06 -0.29 1.76 1.21 -0.17 0.00 0.00 175.17 177.62 1mxl n GLU 66 N 4.21 1.61 0.00 4.34 2.13 -1.26 -3.81 120.64 127.85 1mxl n GLU 66 Ca 0.11 -1.27 0.00 0.00 0.66 0.00 0.00 57.16 56.65 1mxl n GLU 66 Cb 0.41 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1mxl n ASP 67 N 0.26 4.02 0.00 4.31 8.00 -1.26 -5.02 116.55 126.86 1mxl n ASP 67 Ca 0.25 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1mxl n ASP 67 Cb 0.72 0.40 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1mxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mxl n GLY 68 N 2.51 0.75 0.08 0.44 0.00 -1.25 -4.91 105.19 102.81 1mxl n GLY 68 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.31 -2.98 1.61 3.41 -1.26 -4.90 113.62 109.81 1mxl n SER 69 Ca 0.00 -0.45 -0.22 0.00 -0.26 0.00 0.00 58.87 57.94 1mxl n SER 69 Cb 0.00 -0.13 0.04 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.28 -0.50 3.23 5.00 0.00 -1.26 -4.98 105.19 107.96 1mxl n GLY 70 Ca 0.15 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.18 0.13 0.05 2.61 -4.23 -1.26 -4.60 115.64 105.15 1mxl s THR 71 Ca 0.31 -1.21 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 1mxl s THR 71 Cb -0.14 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1mxl s THR 71 CO 0.39 -0.59 -0.26 -0.69 -0.54 0.00 0.00 174.62 172.93 1mxl s VAL 72 N -3.88 2.11 0.54 2.29 1.01 -1.12 -4.82 120.40 116.53 1mxl s VAL 72 Ca 0.07 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1mxl s VAL 72 Cb 0.05 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1mxl s VAL 72 CO -0.09 0.36 0.14 1.51 0.00 0.00 0.00 175.10 177.02 1mxl s ASP 73 N -1.24 4.32 0.50 3.32 1.47 -1.26 -0.37 116.67 123.41 1mxl s ASP 73 Ca 0.12 -1.56 0.24 0.00 1.18 0.00 0.00 52.55 52.52 1mxl s ASP 73 Cb -0.10 0.63 1.28 0.00 -0.34 0.00 0.00 42.92 44.39 1mxl s ASP 73 CO 0.02 -1.00 1.69 0.15 0.68 0.00 0.00 175.17 176.70 1mxl h PHE 74 N 1.08 0.00 0.00 2.11 3.57 -1.95 -1.00 116.94 120.76 1mxl h PHE 74 Ca -0.41 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1mxl h PHE 74 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 1mxl h PHE 74 CO 1.44 0.00 -0.52 -3.47 -2.23 0.00 0.00 178.31 173.53 1mxl n ASP 75 N -2.51 1.77 0.30 0.41 -0.08 -1.26 -4.16 116.55 111.01 1mxl n ASP 75 Ca -0.02 0.62 0.18 0.00 -1.51 0.00 0.00 54.79 54.06 1mxl n ASP 75 Cb 0.30 -0.86 0.96 0.00 2.34 0.00 0.00 41.12 43.86 1mxl n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1mxl h GLU 76 N -0.98 0.00 -0.57 -0.67 5.08 -1.81 -1.77 114.58 113.87 1mxl h GLU 76 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1mxl h GLU 76 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1mxl h GLU 76 CO 0.00 0.00 0.03 0.35 -1.00 0.00 0.00 179.01 178.39 1mxl h PHE 77 N 0.00 1.06 -0.99 4.33 3.04 -1.35 -2.87 116.94 120.16 1mxl h PHE 77 Ca 0.00 -0.17 0.06 0.00 3.98 0.00 0.00 57.97 61.84 1mxl h PHE 77 Cb 0.20 -0.28 -0.07 0.00 2.56 0.00 0.00 35.95 38.36 1mxl h PHE 77 CO 0.00 0.95 0.64 -0.07 -2.02 0.00 0.00 178.31 177.81 1mxl h LEU 78 N 0.87 1.03 0.36 0.59 3.38 -1.48 -2.82 115.31 117.23 1mxl h LEU 78 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1mxl h LEU 78 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1mxl h LEU 78 CO 0.02 0.66 -0.17 0.58 0.09 0.00 0.00 178.44 179.62 1mxl h VAL 79 N 1.17 0.65 -0.90 1.22 2.07 -1.62 -2.58 116.25 116.26 1mxl h VAL 79 Ca 0.43 -0.30 0.25 0.00 0.82 0.00 0.00 66.70 67.89 1mxl h VAL 79 Cb 0.15 0.81 -0.14 0.00 -1.52 0.00 0.00 31.29 30.59 1mxl h VAL 79 CO -0.17 0.06 0.29 -0.03 0.02 0.00 0.00 177.57 177.74 1mxl h MET 80 N -0.65 0.23 -0.25 1.57 -1.53 -1.33 0.27 114.93 113.23 1mxl h MET 80 Ca -0.05 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.08 1mxl h MET 80 Cb 0.47 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 1mxl h MET 80 CO 0.08 0.15 -0.35 0.52 0.14 0.00 0.00 176.91 177.45 1mxl h MET 81 N 0.23 0.54 -0.88 0.39 2.07 -1.39 -3.01 114.93 112.87 1mxl h MET 81 Ca 0.58 -0.25 0.02 0.00 -2.07 0.00 0.00 59.70 57.98 1mxl h MET 81 Cb 1.19 -0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 30.86 1mxl h MET 81 CO -0.64 0.81 0.58 0.28 1.07 0.00 0.00 176.91 179.01 1mxl h VAL 82 N 0.45 1.18 -0.05 -2.22 2.07 -0.07 -3.03 116.25 114.58 1mxl h VAL 82 Ca 0.05 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1mxl h VAL 82 Cb 0.83 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1mxl h VAL 82 CO 0.07 0.21 -0.24 0.03 0.02 0.00 0.00 177.57 177.66 1mxl h ARG 83 N 1.14 -0.25 -0.62 1.57 3.08 -1.32 -0.25 114.38 117.73 1mxl h ARG 83 Ca 0.34 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.58 1mxl h ARG 83 Cb -0.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1mxl h ARG 83 CO -0.09 -0.17 0.46 0.00 -1.07 0.00 0.00 179.97 179.11 1mxl s MET 85 N -4.96 4.08 0.00 0.00 -1.94 -0.11 -4.94 119.30 111.43 1mxl s MET 85 Ca -0.05 1.41 0.00 0.00 -1.71 0.00 0.00 55.69 55.34 1mxl s MET 85 Cb 0.20 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 33.23 1mxl s MET 85 CO 0.72 -0.91 0.00 1.17 -0.01 0.00 0.00 175.02 175.99 1mxl n LYS 86 N 6.94 0.32 -3.74 2.03 4.81 -1.26 -4.92 118.16 122.33 1mxl n LYS 86 Ca 0.14 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.22 1mxl n LYS 86 Cb 0.46 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.40 1mxl n LYS 86 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1mxl s ASP 87 N 1.00 5.78 0.19 3.14 2.15 -1.26 -5.09 116.67 122.58 1mxl s ASP 87 Ca 0.00 0.01 0.08 0.00 0.43 0.00 0.00 52.55 53.07 1mxl s ASP 87 Cb 0.00 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.54 1mxl s ASP 87 CO 0.00 0.04 -0.04 1.51 -0.17 0.00 0.00 175.17 176.51 1mxl s ASP 88 N 1.17 4.51 0.00 -0.34 -4.77 -1.26 -5.30 116.67 110.68 1mxl s ASP 88 Ca 0.06 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.80 1mxl s ASP 88 Cb -0.14 -0.86 0.00 0.00 -1.09 0.00 0.00 42.92 40.83 1mxl s ASP 88 CO 0.05 0.08 0.47 -1.20 0.70 0.00 0.00 175.17 175.27