#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 1.83 -3.80 7.83 2.03 -1.26 -5.03 116.55 118.15 1mxl n ASP 2 Ca 0.00 -0.79 -0.42 0.00 0.52 0.00 0.00 54.79 54.10 1mxl n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1mxl n ASP 3 N -0.92 4.82 -0.06 1.67 5.75 -1.26 -4.51 116.55 122.05 1mxl n ASP 3 Ca 0.00 -3.02 -0.00 0.00 -0.01 0.00 0.00 54.79 51.76 1mxl n ASP 3 Cb 0.00 -1.53 -0.16 0.00 -1.03 0.00 0.00 41.12 38.40 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1mxl n ILE 4 N 3.84 0.71 -0.00 2.12 0.13 -1.26 -4.27 119.36 120.63 1mxl n ILE 4 Ca 0.45 -0.65 -0.01 0.00 -1.10 0.00 0.00 62.75 61.44 1mxl n ILE 4 Cb 0.37 -0.25 -0.00 0.00 -0.84 0.00 0.00 39.64 38.91 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1mxl n TYR 5 N -2.48 0.00 0.30 9.51 4.01 -1.26 -4.56 117.16 122.67 1mxl n TYR 5 Ca -0.19 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.72 1mxl n TYR 5 Cb 0.85 -0.03 0.92 0.00 -0.31 0.00 0.00 39.34 40.77 1mxl n TYR 5 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1mxl h LYS 6 N -0.01 0.00 -0.11 -0.72 2.10 -1.85 -2.44 116.57 113.53 1mxl h LYS 6 Ca -0.02 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.53 1mxl h LYS 6 Cb 1.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1mxl h LYS 6 CO -0.01 0.04 -0.31 0.00 -2.00 0.00 0.00 179.45 177.17 1mxl h ALA 7 N 1.96 0.19 -0.21 0.07 0.00 -1.82 -2.96 119.26 116.49 1mxl h ALA 7 Ca -0.00 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1mxl h ALA 7 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1mxl h ALA 7 CO 0.00 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.63 1mxl h ALA 8 N 0.50 2.18 0.42 0.00 0.00 -1.68 -2.43 119.26 118.25 1mxl h ALA 8 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1mxl h ALA 8 Cb 0.93 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1mxl h ALA 8 CO 0.07 -0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.14 1mxl h VAL 9 N 0.00 0.00 -0.51 0.00 2.07 -1.47 -3.05 116.25 113.29 1mxl h VAL 9 Ca 0.10 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.30 1mxl h VAL 9 Cb 0.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1mxl h VAL 9 CO -0.00 0.00 0.66 -0.08 0.02 0.00 0.00 177.57 178.17 1mxl h GLU 10 N -1.03 0.00 0.00 1.57 4.22 -1.35 1.63 114.58 119.61 1mxl h GLU 10 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1mxl h GLU 10 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1mxl h GLU 10 CO 0.09 0.00 0.00 1.04 -2.18 0.00 0.00 179.01 177.96 1mxl n GLN 11 N -3.43 0.44 -1.45 1.92 6.02 -0.93 -4.84 117.38 115.10 1mxl n GLN 11 Ca 0.10 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1mxl n GLN 11 Cb 0.85 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.76 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 -2.56 1.87 0.51 1.08 1.43 0.55 -5.08 118.68 116.49 1mxl s LEU 12 Ca 0.29 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 1mxl s LEU 12 Cb 0.20 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1mxl s LEU 12 CO 0.45 -2.77 0.02 0.42 0.23 0.00 0.00 176.35 174.70 1mxl s THR 13 N -3.23 1.17 0.08 5.49 -4.23 -1.26 -4.93 115.64 108.73 1mxl s THR 13 Ca 0.65 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.95 1mxl s THR 13 Cb -0.15 -2.15 -0.14 0.00 1.34 0.00 0.00 72.50 71.40 1mxl s THR 13 CO 0.54 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 176.23 1mxl h GLU 14 N 1.32 0.05 -0.72 3.99 4.81 -1.98 0.28 114.58 122.33 1mxl h GLU 14 Ca -0.44 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1mxl h GLU 14 Cb 1.32 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1mxl h GLU 14 CO 0.73 0.09 0.47 1.49 -0.73 0.00 0.00 179.01 181.07 1mxl h GLU 15 N -0.01 0.63 0.03 1.92 4.81 -1.98 0.38 114.58 120.36 1mxl h GLU 15 Ca 0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1mxl h GLU 15 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1mxl h GLU 15 CO -0.00 0.42 -0.02 0.37 -0.73 0.00 0.00 179.01 179.05 1mxl h GLN 16 N 0.65 -0.04 0.00 1.92 5.75 -1.82 -3.17 115.11 118.40 1mxl h GLN 16 Ca 0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 1mxl h GLN 16 Cb 0.42 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1mxl h GLN 16 CO -0.11 0.64 0.00 -0.22 -2.65 0.00 0.00 178.83 176.49 1mxl h LYS 17 N -0.90 0.00 0.00 1.69 3.11 -0.18 -1.25 116.57 119.04 1mxl h LYS 17 Ca -0.00 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.70 1mxl h LYS 17 Cb 0.70 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.92 1mxl h LYS 17 CO 0.01 0.00 -0.64 -0.91 -2.81 0.00 0.00 179.45 175.09 1mxl h ASN 18 N 0.00 0.00 0.01 4.20 2.35 -0.25 -2.23 115.58 119.66 1mxl h ASN 18 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1mxl h ASN 18 Cb 0.17 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.55 1mxl h ASN 18 CO 0.00 0.64 -0.31 -0.33 -1.65 0.00 0.00 177.43 175.78 1mxl h GLU 19 N 0.00 0.19 0.00 0.81 5.08 -1.20 -3.25 114.58 116.21 1mxl h GLU 19 Ca -0.01 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1mxl h GLU 19 Cb 1.25 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1mxl h GLU 19 CO 0.08 0.97 -0.25 0.74 -1.00 0.00 0.00 179.01 179.55 1mxl h PHE 20 N -0.49 0.00 0.00 4.33 0.04 -1.58 -2.35 116.94 116.89 1mxl h PHE 20 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1mxl h PHE 20 Cb 1.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.24 1mxl h PHE 20 CO 0.19 0.25 -0.07 1.57 -0.60 0.00 0.00 178.31 179.65 1mxl h LYS 21 N 0.00 0.00 0.28 1.51 5.09 -1.43 -2.65 116.57 119.36 1mxl h LYS 21 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 1mxl h LYS 21 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.87 1mxl h LYS 21 CO 0.03 0.07 -0.13 0.00 -2.09 0.00 0.00 179.45 177.33 1mxl h ALA 22 N 1.93 -0.37 0.10 0.07 0.00 -1.49 -2.73 119.26 116.77 1mxl h ALA 22 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1mxl h ALA 22 Cb 0.15 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1mxl h ALA 22 CO 0.01 -0.49 -0.46 0.00 0.00 0.00 0.00 179.25 178.31 1mxl h ALA 23 N -0.28 -0.81 -0.89 0.00 0.00 -1.59 -0.95 119.26 114.73 1mxl h ALA 23 Ca -0.04 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.04 1mxl h ALA 23 Cb 0.51 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 1mxl h ALA 23 CO 0.06 -1.03 0.18 0.35 0.00 0.00 0.00 179.25 178.81 1mxl h PHE 24 N -0.68 0.24 -0.11 0.00 3.57 -1.55 0.29 116.94 118.69 1mxl h PHE 24 Ca 0.02 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1mxl h PHE 24 Cb 0.71 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1mxl h PHE 24 CO -0.40 -0.28 -0.04 -0.44 -2.23 0.00 0.00 178.31 174.92 1mxl h ASP 25 N 0.14 -0.14 -0.72 0.41 3.32 -0.87 -1.41 116.42 117.15 1mxl h ASP 25 Ca 0.56 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.64 1mxl h ASP 25 Cb 1.15 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 1mxl h ASP 25 CO -0.72 -0.05 0.42 0.40 -1.72 0.00 0.00 179.24 177.56 1mxl h ILE 26 N -0.02 1.21 0.00 0.35 5.03 0.13 0.60 117.51 124.81 1mxl h ILE 26 Ca 0.06 -0.51 -0.02 0.00 -0.12 0.00 0.00 64.86 64.27 1mxl h ILE 26 Cb 0.11 0.21 -0.00 0.00 -3.03 0.00 0.00 36.82 34.10 1mxl h ILE 26 CO -0.13 0.23 -0.10 -0.26 -0.68 0.00 0.00 178.15 177.21 1mxl h PHE 27 N 1.02 0.00 -0.09 1.37 -1.00 -0.18 -2.60 116.94 115.46 1mxl h PHE 27 Ca 0.26 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.02 1mxl h PHE 27 Cb 0.00 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1mxl h PHE 27 CO 0.01 0.10 -0.09 1.33 -1.61 0.00 0.00 178.31 178.05 1mxl n VAL 28 N -3.51 2.10 -1.32 -0.55 0.24 -0.50 -4.04 118.33 110.75 1mxl n VAL 28 Ca -0.01 -2.39 -0.56 0.00 -2.04 0.00 0.00 64.34 59.34 1mxl n VAL 28 Cb 0.24 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.24 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 -1.15 0.86 -3.80 1.34 0.00 0.09 0.84 117.00 115.18 1mxl n LEU 29 Ca 0.19 0.55 -0.23 0.00 0.00 0.00 0.00 56.01 56.53 1mxl n LEU 29 Cb 0.74 -0.95 0.01 0.00 0.00 0.00 0.00 43.42 43.22 1mxl n LEU 29 CO 0.05 -0.77 -0.11 0.61 0.00 0.00 0.00 177.39 177.17 1mxl n GLY 30 N 7.21 -0.28 1.20 -3.96 0.00 -1.26 -4.82 105.19 103.28 1mxl n GLY 30 Ca 0.55 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.68 1mxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mxl n ALA 31 N -4.33 3.27 -0.22 4.61 0.00 0.25 -4.92 120.51 119.17 1mxl n ALA 31 Ca -0.28 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1mxl n ALA 31 Cb 0.67 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1mxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mxl n GLU 32 N 0.08 0.00 0.11 0.00 -0.58 -1.26 -2.87 120.64 116.12 1mxl n GLU 32 Ca 0.15 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.93 1mxl n GLU 32 Cb 0.74 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.61 1mxl n GLU 32 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1mxl h ASP 33 N 0.00 0.00 0.00 1.62 1.82 -1.95 -3.47 116.42 114.44 1mxl h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mxl h ASP 33 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1mxl h ASP 33 CO 0.00 0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.65 1mxl n GLY 34 N 1.26 1.32 0.00 -0.78 0.00 -1.14 -5.10 105.19 100.75 1mxl n GLY 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.49 1.82 0.00 0.00 1.01 -0.81 -4.06 121.20 120.66 1mxl s ILE 36 Ca 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 60.65 58.60 1mxl s ILE 36 Cb 0.00 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.55 1mxl s ILE 36 CO 0.00 -0.44 0.91 -1.20 0.00 0.00 0.00 174.94 174.22 1mxl n SER 37 N -0.04 -0.66 0.00 3.58 7.64 -1.26 -3.29 113.62 119.59 1mxl n SER 37 Ca -0.11 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1mxl n SER 37 Cb 0.59 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.03 0.00 -0.37 0.44 -2.24 -1.26 -4.51 114.28 106.37 1mxl n THR 38 Ca -0.20 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 61.92 1mxl n THR 38 Cb 0.69 0.00 0.69 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 0.10 0.00 -0.78 2.10 -1.95 1.33 116.57 117.37 1mxl h LYS 39 Ca 0.00 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 1mxl h LYS 39 Cb 0.00 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.29 1mxl h LYS 39 CO 0.00 0.06 -1.51 0.39 -2.00 0.00 0.00 179.45 176.40 1mxl n GLU 40 N -4.31 0.63 -0.04 0.07 -0.58 -1.26 -4.01 120.64 111.14 1mxl n GLU 40 Ca 0.28 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 57.09 1mxl n GLU 40 Cb 1.25 -1.72 -0.00 0.00 -0.57 0.00 0.00 31.44 30.40 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 0.00 0.00 -1.92 -4.62 7.12 0.12 -3.32 115.31 112.69 1mxl h LEU 41 Ca -0.11 0.00 0.41 0.00 0.13 0.00 0.00 57.88 58.31 1mxl h LEU 41 Cb 1.32 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.39 1mxl h LEU 41 CO 0.02 0.42 1.06 1.23 -0.13 0.00 0.00 178.44 181.04 1mxl h GLY 42 N -0.77 0.00 0.56 3.75 0.00 0.06 0.52 103.07 107.19 1mxl h GLY 42 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1mxl h GLY 42 CO 0.00 0.00 0.57 1.70 0.00 0.00 0.00 176.54 178.81 1mxl h LYS 43 N 0.00 0.66 0.02 4.80 3.64 -1.70 -1.41 116.57 122.58 1mxl h LYS 43 Ca 0.67 -0.04 -0.27 0.00 -1.27 0.00 0.00 60.65 59.74 1mxl h LYS 43 Cb 2.79 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 34.42 1mxl h LYS 43 CO -0.01 0.44 -1.44 0.28 -2.27 0.00 0.00 179.45 176.44 1mxl h VAL 44 N 0.68 1.18 -0.73 2.00 2.07 -0.13 -3.35 116.25 117.97 1mxl h VAL 44 Ca 0.44 -2.96 0.09 0.00 0.82 0.00 0.00 66.70 65.09 1mxl h VAL 44 Cb 0.71 2.61 -0.11 0.00 -1.52 0.00 0.00 31.29 32.97 1mxl h VAL 44 CO -0.19 0.70 -0.50 0.24 0.02 0.00 0.00 177.57 177.84 1mxl h MET 45 N 0.01 -0.15 0.00 1.57 2.86 -1.07 2.22 114.93 120.37 1mxl h MET 45 Ca -0.19 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1mxl h MET 45 Cb 1.93 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.62 1mxl h MET 45 CO 0.11 -0.10 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1mxl h ARG 46 N -0.16 0.00 0.18 1.72 2.47 -0.47 0.38 114.38 118.50 1mxl h ARG 46 Ca 0.18 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.60 1mxl h ARG 46 Cb 0.53 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.88 1mxl h ARG 46 CO -0.79 0.00 -1.28 1.98 0.56 0.00 0.00 179.97 180.43 1mxl h MET 47 N 0.00 0.55 0.00 0.04 4.05 0.34 -3.26 114.93 116.65 1mxl h MET 47 Ca 0.00 -0.83 0.00 0.00 -0.28 0.00 0.00 59.70 58.59 1mxl h MET 47 Cb 0.09 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1mxl h MET 47 CO 0.00 1.39 0.00 -0.07 0.23 0.00 0.00 176.91 178.46 1mxl h LEU 48 N 0.13 0.00 0.00 3.39 3.38 0.22 -3.46 115.31 118.97 1mxl h LEU 48 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1mxl h LEU 48 Cb 1.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1mxl h LEU 48 CO 0.24 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1mxl n GLY 49 N 0.94 1.95 3.39 0.83 0.00 -0.62 -5.10 105.19 106.57 1mxl n GLY 49 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.15 1.76 -0.37 1.61 -1.52 0.12 -4.97 119.66 116.14 1mxl s GLN 50 Ca 0.00 -1.81 -0.00 0.00 -1.95 0.00 0.00 55.36 51.59 1mxl s GLN 50 Cb 0.00 0.38 0.18 0.00 -0.22 0.00 0.00 33.01 33.36 1mxl s GLN 50 CO 0.00 -0.69 0.84 1.21 -0.25 0.00 0.00 175.29 176.40 1mxl s ASN 51 N -3.27 -0.94 0.31 5.90 3.84 -1.26 -0.08 114.94 119.45 1mxl s ASN 51 Ca 0.35 -0.51 -0.27 0.00 0.21 0.00 0.00 52.86 52.63 1mxl s ASN 51 Cb 0.01 1.21 -0.09 0.00 -0.55 0.00 0.00 41.25 41.83 1mxl s ASN 51 CO 0.22 -0.10 1.01 -2.16 -2.79 0.00 0.00 177.10 173.27 1mxl s PRO 52 N 1.85 4.55 1.23 0.43 0.04 -1.26 -5.04 135.00 136.80 1mxl s PRO 52 Ca 0.16 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.54 1mxl s PRO 52 Cb -0.00 -2.93 0.30 0.00 0.04 0.00 0.00 34.50 31.91 1mxl s PRO 52 CO -0.11 0.21 1.05 0.95 0.04 0.00 0.00 177.00 179.14 1mxl s THR 53 N -1.43 1.61 -0.36 1.26 -4.23 -1.26 -4.71 115.64 106.52 1mxl s THR 53 Ca 0.49 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.26 1mxl s THR 53 Cb -0.24 -2.32 0.28 0.00 1.34 0.00 0.00 72.50 71.56 1mxl s THR 53 CO 0.31 0.00 1.78 1.55 -0.54 0.00 0.00 174.62 177.71 1mxl h PRO 54 N -2.73 0.00 0.00 3.99 0.13 -1.99 -1.70 132.00 129.70 1mxl h PRO 54 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 1mxl h PRO 54 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1mxl h PRO 54 CO 0.38 0.00 -0.30 0.93 -0.23 0.00 0.00 178.00 178.79 1mxl h GLU 55 N 0.00 0.00 0.00 0.86 5.08 -2.03 -3.34 114.58 115.16 1mxl h GLU 55 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1mxl h GLU 55 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1mxl h GLU 55 CO 0.00 0.63 -0.35 1.49 -1.00 0.00 0.00 179.01 179.78 1mxl h GLU 56 N -1.00 0.00 0.10 2.33 4.57 -1.91 -3.22 114.58 115.45 1mxl h GLU 56 Ca -0.07 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1mxl h GLU 56 Cb 0.74 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 1mxl h GLU 56 CO -0.04 0.35 -0.31 -0.07 -1.18 0.00 0.00 179.01 177.76 1mxl h LEU 57 N 0.00 -0.89 -1.95 1.64 3.38 -1.44 -0.12 115.31 115.93 1mxl h LEU 57 Ca -0.00 0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1mxl h LEU 57 Cb 0.77 0.34 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1mxl h LEU 57 CO 0.04 -0.39 0.63 -0.61 0.09 0.00 0.00 178.44 178.20 1mxl h GLN 58 N -0.51 0.00 -0.14 1.13 -0.00 -1.67 -0.56 115.11 113.35 1mxl h GLN 58 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1mxl h GLN 58 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 1mxl h GLN 58 CO -0.20 0.00 0.02 1.49 0.00 0.00 0.00 178.83 180.15 1mxl h GLU 59 N 0.00 0.08 -1.02 1.69 4.81 -1.13 0.31 114.58 119.31 1mxl h GLU 59 Ca 0.37 -0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.86 1mxl h GLU 59 Cb 1.62 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.90 1mxl h GLU 59 CO -0.00 0.05 0.68 0.52 -0.73 0.00 0.00 179.01 179.53 1mxl h MET 60 N 0.08 0.29 0.00 1.92 2.86 -1.09 0.95 114.93 119.94 1mxl h MET 60 Ca 0.06 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 1mxl h MET 60 Cb 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1mxl h MET 60 CO -0.08 0.19 -0.37 0.82 1.06 0.00 0.00 176.91 178.52 1mxl h ILE 61 N 0.29 0.82 -0.07 -1.22 5.03 -1.31 -3.30 117.51 117.76 1mxl h ILE 61 Ca 0.55 -1.73 0.02 0.00 -0.12 0.00 0.00 64.86 63.58 1mxl h ILE 61 Cb 1.59 1.67 -0.00 0.00 -3.03 0.00 0.00 36.82 37.04 1mxl h ILE 61 CO -0.20 0.28 0.42 0.44 -0.68 0.00 0.00 178.15 178.41 1mxl h ASP 62 N -1.00 0.00 -0.02 1.72 3.32 0.16 0.18 116.42 120.79 1mxl h ASP 62 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1mxl h ASP 62 Cb 0.72 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.27 1mxl h ASP 62 CO -0.05 0.00 0.02 -0.08 -1.72 0.00 0.00 179.24 177.41 1mxl h GLU 63 N 0.00 0.00 -0.41 3.56 4.57 -0.91 -3.06 114.58 118.33 1mxl h GLU 63 Ca 0.03 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.98 1mxl h GLU 63 Cb 0.87 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 29.08 1mxl h GLU 63 CO -0.00 0.00 -1.06 1.33 -1.18 0.00 0.00 179.01 178.10 1mxl n VAL 64 N -3.65 1.17 -3.50 0.32 0.24 0.62 -5.00 118.33 108.54 1mxl n VAL 64 Ca -0.03 -2.78 -0.41 0.00 -2.04 0.00 0.00 64.34 59.08 1mxl n VAL 64 Cb 0.10 1.28 -0.04 0.00 -1.47 0.00 0.00 33.84 33.71 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 -3.61 6.41 -0.59 -1.34 -1.08 -1.13 -4.73 116.67 110.60 1mxl s ASP 65 Ca 0.26 -3.32 0.00 0.00 -0.52 0.00 0.00 52.55 48.97 1mxl s ASP 65 Cb 0.33 -2.05 0.49 0.00 -1.46 0.00 0.00 42.92 40.23 1mxl s ASP 65 CO -0.05 -0.33 1.93 1.21 0.52 0.00 0.00 175.17 178.46 1mxl n GLU 66 N 2.99 2.65 0.00 4.34 2.13 -1.26 -4.23 120.64 127.27 1mxl n GLU 66 Ca 0.18 -3.30 0.00 0.00 0.66 0.00 0.00 57.16 54.70 1mxl n GLU 66 Cb 0.40 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.86 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mxl n ASP 67 N -0.95 0.38 -3.03 4.31 5.68 -1.26 -5.01 116.55 116.68 1mxl n ASP 67 Ca 0.60 -1.06 -0.21 0.00 -0.50 0.00 0.00 54.79 53.62 1mxl n ASP 67 Cb 0.88 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.92 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 -0.38 0.31 6.12 0.00 -1.26 -4.93 105.19 105.02 1mxl n GLY 68 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.32 0.77 0.00 1.61 3.41 -1.26 -5.05 113.62 110.78 1mxl n SER 69 Ca -0.03 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1mxl n SER 69 Cb 0.57 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 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 2.03 0.78 3.45 5.00 0.00 -1.26 -5.13 105.19 110.06 1mxl n GLY 70 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.09 1.70 0.09 2.61 -4.23 -1.26 -4.74 115.64 108.72 1mxl s THR 71 Ca 0.00 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 1mxl s THR 71 Cb 0.00 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 1mxl s THR 71 CO 0.00 -0.25 0.08 -0.69 -0.54 0.00 0.00 174.62 173.22 1mxl s VAL 72 N -2.97 4.52 0.36 2.29 1.01 -1.21 -4.76 120.40 119.64 1mxl s VAL 72 Ca 0.31 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1mxl s VAL 72 Cb 0.04 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 1mxl s VAL 72 CO 0.13 0.10 0.04 -1.81 0.00 0.00 0.00 175.10 173.56 1mxl s ASP 73 N -2.47 2.95 0.64 3.32 1.11 -1.26 -1.92 116.67 119.04 1mxl s ASP 73 Ca 0.29 -1.40 0.31 0.00 0.18 0.00 0.00 52.55 51.93 1mxl s ASP 73 Cb -0.12 -0.13 1.70 0.00 1.07 0.00 0.00 42.92 45.43 1mxl s ASP 73 CO 0.22 -0.58 1.95 0.15 1.18 0.00 0.00 175.17 178.09 1mxl h PHE 74 N 1.96 0.00 0.00 4.23 3.57 -1.97 0.35 116.94 125.08 1mxl h PHE 74 Ca -0.42 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1mxl h PHE 74 Cb 1.25 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.99 1mxl h PHE 74 CO 0.71 0.00 -0.03 0.22 -2.23 0.00 0.00 178.31 176.98 1mxl h ASP 75 N 0.00 0.00 0.12 0.41 1.82 -2.00 -3.18 116.42 113.59 1mxl h ASP 75 Ca 0.00 -0.11 -0.10 0.00 -0.39 0.00 0.00 57.03 56.43 1mxl h ASP 75 Cb 0.54 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1mxl h ASP 75 CO 0.00 0.57 -0.34 -0.33 -1.61 0.00 0.00 179.24 177.53 1mxl h GLU 76 N -1.00 0.31 -0.81 0.28 5.08 -1.72 -2.99 114.58 113.74 1mxl h GLU 76 Ca -0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1mxl h GLU 76 Cb 0.13 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1mxl h GLU 76 CO -0.00 0.62 0.52 0.35 -1.00 0.00 0.00 179.01 179.50 1mxl h PHE 77 N 0.27 0.97 0.00 4.33 3.04 -0.46 -0.50 116.94 124.59 1mxl h PHE 77 Ca 0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1mxl h PHE 77 Cb 0.74 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 1mxl h PHE 77 CO 0.02 0.55 -0.04 -0.07 -2.02 0.00 0.00 178.31 176.75 1mxl h LEU 78 N 1.00 0.00 0.00 0.59 3.38 -1.50 -0.97 115.31 117.81 1mxl h LEU 78 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1mxl h LEU 78 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1mxl h LEU 78 CO -0.12 0.04 -0.02 0.58 0.09 0.00 0.00 178.44 179.01 1mxl h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -1.13 -3.22 116.25 115.18 1mxl h VAL 79 Ca -0.00 -0.88 -0.10 0.00 0.82 0.00 0.00 66.70 66.54 1mxl h VAL 79 Cb 0.15 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1mxl h VAL 79 CO 0.01 0.00 -0.49 -0.03 0.02 0.00 0.00 177.57 177.08 1mxl h MET 80 N 0.00 0.00 0.00 1.57 -1.53 -0.98 -2.91 114.93 111.08 1mxl h MET 80 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1mxl h MET 80 Cb 0.94 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.99 1mxl h MET 80 CO 0.00 0.49 -0.31 -1.33 0.14 0.00 0.00 176.91 175.90 1mxl n MET 81 N -3.59 0.15 0.03 0.39 2.00 -1.22 -3.72 117.12 111.17 1mxl n MET 81 Ca -0.00 0.08 -0.22 0.00 0.00 0.00 0.00 57.70 57.56 1mxl n MET 81 Cb 0.58 -1.63 -0.14 0.00 0.00 0.00 0.00 33.22 32.03 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1mxl h VAL 82 N 0.00 1.08 -0.44 2.03 2.07 -1.60 -3.20 116.25 116.19 1mxl h VAL 82 Ca 0.00 -2.45 -0.01 0.00 0.82 0.00 0.00 66.70 65.06 1mxl h VAL 82 Cb 0.63 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1mxl h VAL 82 CO 0.00 0.74 0.24 0.03 0.02 0.00 0.00 177.57 178.60 1mxl h ARG 83 N -0.22 0.61 0.00 1.57 3.08 -1.66 -0.89 114.38 116.87 1mxl h ARG 83 Ca -0.29 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1mxl h ARG 83 Cb 1.82 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1mxl h ARG 83 CO 0.10 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.48 1mxl s MET 85 N -2.59 2.65 0.29 0.00 -1.94 -0.34 -5.08 119.30 112.29 1mxl s MET 85 Ca 0.16 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.44 1mxl s MET 85 Cb 0.12 -2.57 -0.09 0.00 2.01 0.00 0.00 34.83 34.30 1mxl s MET 85 CO 0.27 -0.29 1.03 0.21 -0.01 0.00 0.00 175.02 176.23 1mxl s LYS 86 N -4.28 4.64 -0.28 2.03 2.36 -1.26 -4.95 119.74 117.99 1mxl s LYS 86 Ca 0.52 1.63 -0.02 0.00 -2.55 0.00 0.00 55.97 55.55 1mxl s LYS 86 Cb -0.07 -3.09 0.04 0.00 -1.05 0.00 0.00 37.83 33.67 1mxl s LYS 86 CO 0.31 0.26 -0.02 0.16 1.55 0.00 0.00 175.35 177.61 1mxl s ASP 87 N -1.13 4.71 -0.43 1.43 -4.77 -1.26 -5.00 116.67 110.21 1mxl s ASP 87 Ca 0.46 -1.15 0.07 0.00 -3.30 0.00 0.00 52.55 48.63 1mxl s ASP 87 Cb -0.28 -1.69 0.23 0.00 -1.09 0.00 0.00 42.92 40.09 1mxl s ASP 87 CO 0.35 -0.22 0.62 -0.67 0.70 0.00 0.00 175.17 175.95 1mxl n ASP 88 N 4.63 -1.03 0.00 2.11 -0.08 -1.26 -5.24 116.55 115.68 1mxl n ASP 88 Ca -0.14 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 1mxl n ASP 88 Cb 0.44 0.24 0.00 0.00 2.34 0.00 0.00 41.12 44.15 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08