#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 -4.53 -3.71 6.12 2.03 -1.26 -4.92 116.55 110.28 1mxl n ASP 2 Ca 0.00 1.23 -0.37 0.00 0.52 0.00 0.00 54.79 56.17 1mxl n ASP 2 Cb 0.00 -4.78 -0.02 0.00 -0.72 0.00 0.00 41.12 35.60 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 0.97 5.71 -0.09 1.67 5.68 -1.26 -4.78 116.55 124.44 1mxl n ASP 3 Ca -0.15 -3.49 -0.17 0.00 -0.50 0.00 0.00 54.79 50.48 1mxl n ASP 3 Cb 0.24 -1.04 -0.10 0.00 -1.14 0.00 0.00 41.12 39.08 1mxl n ASP 3 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1mxl h ILE 4 N 3.15 0.91 0.00 2.12 2.04 -1.99 -3.34 117.51 120.40 1mxl h ILE 4 Ca 0.24 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.08 1mxl h ILE 4 Cb 0.57 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1mxl h ILE 4 CO 1.14 0.31 -0.24 1.88 0.00 0.00 0.00 178.15 181.24 1mxl h TYR 5 N -1.00 0.00 -1.64 1.37 0.05 -1.97 -3.18 116.97 110.60 1mxl h TYR 5 Ca -0.23 0.00 0.48 0.00 0.05 0.00 0.00 58.73 59.03 1mxl h TYR 5 Cb 1.10 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.77 1mxl h TYR 5 CO 0.08 0.27 1.18 0.87 -1.05 0.00 0.00 178.16 179.51 1mxl h LYS 6 N -1.00 0.01 0.19 4.88 1.57 -1.91 -0.67 116.57 119.64 1mxl h LYS 6 Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1mxl h LYS 6 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1mxl h LYS 6 CO -0.02 0.01 -0.09 0.00 -0.57 0.00 0.00 179.45 178.78 1mxl h ALA 7 N 1.19 -0.30 -0.96 3.86 0.00 -1.68 -2.99 119.26 118.38 1mxl h ALA 7 Ca 0.79 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.86 1mxl h ALA 7 Cb 3.14 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 20.91 1mxl h ALA 7 CO -0.03 -0.29 0.54 0.00 0.00 0.00 0.00 179.25 179.47 1mxl h ALA 8 N -1.27 1.62 0.21 0.00 0.00 -1.18 -1.09 119.26 117.55 1mxl h ALA 8 Ca -0.03 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mxl h ALA 8 Cb 0.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mxl h ALA 8 CO 0.04 -0.20 -0.18 0.28 0.00 0.00 0.00 179.25 179.19 1mxl h VAL 9 N 0.60 0.61 -0.95 0.00 2.07 -1.27 -2.36 116.25 114.94 1mxl h VAL 9 Ca 0.59 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.18 1mxl h VAL 9 Cb 1.03 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1mxl h VAL 9 CO -0.45 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.42 1mxl h GLU 10 N -0.41 1.06 -1.00 1.57 4.39 -1.07 -1.11 114.58 118.02 1mxl h GLU 10 Ca -0.01 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.41 1mxl h GLU 10 Cb 0.37 -0.24 -0.13 0.00 -0.10 0.00 0.00 28.75 28.65 1mxl h GLU 10 CO -0.03 0.70 0.28 1.04 -1.16 0.00 0.00 179.01 179.84 1mxl n GLN 11 N -4.55 1.56 -1.50 2.33 6.02 -0.74 -4.94 117.38 115.55 1mxl n GLN 11 Ca 0.15 -1.29 -0.32 0.00 -0.01 0.00 0.00 57.00 55.53 1mxl n GLN 11 Cb 0.19 -1.51 0.07 0.00 1.02 0.00 0.00 30.24 30.01 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 -1.41 3.19 0.48 1.08 1.43 -0.42 -4.99 118.68 118.03 1mxl s LEU 12 Ca 0.24 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1mxl s LEU 12 Cb 0.20 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 1mxl s LEU 12 CO 0.05 -1.80 0.73 0.42 0.23 0.00 0.00 176.35 175.98 1mxl s THR 13 N -2.71 4.06 -0.00 5.49 -4.23 -1.26 -4.96 115.64 112.03 1mxl s THR 13 Ca 0.63 -0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1mxl s THR 13 Cb -0.18 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 1mxl s THR 13 CO 0.50 -0.42 0.71 -0.33 -0.54 0.00 0.00 174.62 174.53 1mxl h GLU 14 N 0.27 -0.25 -0.41 3.99 5.08 -1.99 -1.20 114.58 120.07 1mxl h GLU 14 Ca -0.46 0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.03 1mxl h GLU 14 Cb 1.25 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1mxl h GLU 14 CO 0.59 -0.17 0.54 0.93 -1.00 0.00 0.00 179.01 179.90 1mxl h GLU 15 N -0.38 0.00 -0.02 2.33 3.07 -1.98 0.27 114.58 117.87 1mxl h GLU 15 Ca -0.03 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1mxl h GLU 15 Cb 0.20 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1mxl h GLU 15 CO 0.04 0.00 -0.70 0.37 -1.40 0.00 0.00 179.01 177.33 1mxl h GLN 16 N 0.00 0.50 0.00 2.33 4.15 -1.93 -2.43 115.11 117.73 1mxl h GLN 16 Ca 0.20 -0.52 -0.16 0.00 0.77 0.00 0.00 58.65 58.94 1mxl h GLN 16 Cb 1.28 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 29.09 1mxl h GLN 16 CO -0.00 1.15 -0.75 -0.22 -1.93 0.00 0.00 178.83 177.09 1mxl h LYS 17 N 0.06 0.00 -0.29 1.69 3.11 0.61 -3.18 116.57 118.56 1mxl h LYS 17 Ca -0.08 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.61 1mxl h LYS 17 Cb 1.38 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.61 1mxl h LYS 17 CO 0.14 0.75 -0.40 -0.91 -2.81 0.00 0.00 179.45 176.21 1mxl h ASN 18 N 0.00 0.73 -0.48 4.20 2.35 -0.67 -2.87 115.58 118.85 1mxl h ASN 18 Ca -0.01 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1mxl h ASN 18 Cb 1.40 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 1mxl h ASN 18 CO 0.10 1.05 0.28 -0.08 -1.65 0.00 0.00 177.43 177.13 1mxl h GLU 19 N 0.56 0.66 -0.71 0.81 4.81 -1.42 -2.67 114.58 116.63 1mxl h GLU 19 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1mxl h GLU 19 Cb 0.94 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.15 1mxl h GLU 19 CO 0.09 0.49 0.45 0.74 -0.73 0.00 0.00 179.01 180.05 1mxl h PHE 20 N 0.64 0.91 -1.11 0.92 0.04 -1.54 -2.32 116.94 114.48 1mxl h PHE 20 Ca 0.17 0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.34 1mxl h PHE 20 Cb 0.01 -0.30 -0.15 0.00 2.20 0.00 0.00 35.95 37.70 1mxl h PHE 20 CO -0.03 0.59 0.66 0.87 -0.60 0.00 0.00 178.31 179.81 1mxl h LYS 21 N 0.97 0.14 -0.11 1.51 1.57 -1.24 0.42 116.57 119.82 1mxl h LYS 21 Ca 0.26 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1mxl h LYS 21 Cb -0.08 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1mxl h LYS 21 CO -0.05 0.09 0.04 0.00 -0.57 0.00 0.00 179.45 178.96 1mxl h ALA 22 N 1.80 0.14 -0.11 3.86 0.00 -1.47 -2.91 119.26 120.57 1mxl h ALA 22 Ca 0.80 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.62 1mxl h ALA 22 Cb 2.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1mxl h ALA 22 CO -0.58 -0.25 -0.05 0.00 0.00 0.00 0.00 179.25 178.37 1mxl h ALA 23 N 0.85 0.05 -0.58 0.00 0.00 -0.26 -2.59 119.26 116.73 1mxl h ALA 23 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1mxl h ALA 23 Cb 0.21 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1mxl h ALA 23 CO -0.00 -0.51 -0.45 0.74 0.00 0.00 0.00 179.25 179.03 1mxl h PHE 24 N -0.04 -1.34 -0.80 0.00 0.04 -1.32 1.77 116.94 115.25 1mxl h PHE 24 Ca 0.06 0.08 0.18 0.00 2.80 0.00 0.00 57.97 61.09 1mxl h PHE 24 Cb 0.14 0.67 -0.15 0.00 2.20 0.00 0.00 35.95 38.81 1mxl h PHE 24 CO -0.18 -0.43 -0.09 -0.44 -0.60 0.00 0.00 178.31 176.57 1mxl h ASP 25 N -0.23 -0.56 0.93 2.17 5.19 -1.27 1.65 116.42 124.30 1mxl h ASP 25 Ca 0.17 0.23 -0.15 0.00 -0.62 0.00 0.00 57.03 56.65 1mxl h ASP 25 Cb 0.56 0.43 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 1mxl h ASP 25 CO -0.69 -0.24 -0.72 0.40 -3.12 0.00 0.00 179.24 174.87 1mxl h ILE 26 N 0.04 1.39 0.00 0.35 5.03 -0.27 0.12 117.51 124.18 1mxl h ILE 26 Ca 0.42 -2.57 -0.10 0.00 -0.12 0.00 0.00 64.86 62.48 1mxl h ILE 26 Cb 0.71 2.43 -0.01 0.00 -3.03 0.00 0.00 36.82 36.91 1mxl h ILE 26 CO -0.77 0.71 -0.50 -0.26 -0.68 0.00 0.00 178.15 176.65 1mxl h PHE 27 N 0.00 0.00 -0.19 1.37 -1.00 0.79 -3.26 116.94 114.65 1mxl h PHE 27 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1mxl h PHE 27 Cb 1.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.94 1mxl h PHE 27 CO 0.00 0.50 0.00 1.33 -1.61 0.00 0.00 178.31 178.53 1mxl n VAL 28 N -3.32 0.87 -1.50 -0.55 0.24 0.51 -3.46 118.33 111.12 1mxl n VAL 28 Ca 0.01 -0.93 -0.41 0.00 -2.04 0.00 0.00 64.34 60.96 1mxl n VAL 28 Cb 0.68 0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 33.53 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 0.16 1.14 0.00 1.34 0.00 0.42 0.15 117.00 120.20 1mxl n LEU 29 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.08 1mxl n LEU 29 Cb 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.59 1mxl n LEU 29 CO 0.05 -1.00 0.00 0.61 0.00 0.00 0.00 177.39 177.05 1mxl n GLY 30 N 6.40 1.39 3.67 -3.96 0.00 -1.26 -4.88 105.19 106.55 1mxl n GLY 30 Ca 0.54 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.59 1.49 -0.69 4.61 0.00 0.38 -4.94 121.76 121.02 1mxl s ALA 31 Ca 0.00 0.64 0.11 0.00 0.00 0.00 0.00 51.96 52.71 1mxl s ALA 31 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.57 1mxl s ALA 31 CO 0.00 -2.75 0.54 -1.91 0.00 0.00 0.00 175.76 171.64 1mxl n GLU 32 N -4.15 2.94 -1.91 0.00 2.13 -1.26 -4.56 120.64 113.83 1mxl n GLU 32 Ca 0.12 -0.21 -0.08 0.00 0.66 0.00 0.00 57.16 57.65 1mxl n GLU 32 Cb 0.52 -1.05 0.06 0.00 0.27 0.00 0.00 31.44 31.24 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1mxl n ASP 33 N -0.92 2.82 -4.21 4.31 -0.08 -1.26 -4.97 116.55 112.25 1mxl n ASP 33 Ca 0.03 -3.05 -0.30 0.00 -1.51 0.00 0.00 54.79 49.95 1mxl n ASP 33 Cb 0.19 -0.41 -0.07 0.00 2.34 0.00 0.00 41.12 43.17 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 -0.59 -0.19 0.00 0.27 0.00 -1.26 -4.91 105.19 98.51 1mxl n GLY 34 Ca 0.24 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.77 0.48 -0.17 0.00 1.01 -0.63 -4.29 121.20 116.82 1mxl s ILE 36 Ca 0.00 -1.31 0.12 0.00 0.00 0.00 0.00 60.65 59.45 1mxl s ILE 36 Cb 0.00 -0.88 0.29 0.00 0.01 0.00 0.00 42.46 41.88 1mxl s ILE 36 CO 0.00 -0.57 1.25 -1.20 0.00 0.00 0.00 174.94 174.43 1mxl n SER 37 N 1.02 -0.57 0.00 3.58 7.64 -1.26 -2.28 113.62 121.74 1mxl n SER 37 Ca -0.20 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.59 1mxl n SER 37 Cb 0.57 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 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 -0.64 0.00 -0.40 0.44 -2.24 -1.26 -4.46 114.28 105.72 1mxl n THR 38 Ca -0.15 0.00 0.33 0.00 -2.27 0.00 0.00 64.05 61.96 1mxl n THR 38 Cb 0.84 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.16 0.02 -0.78 1.57 -1.95 1.18 116.57 116.77 1mxl h LYS 39 Ca 0.00 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 1mxl h LYS 39 Cb 0.00 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.22 1mxl h LYS 39 CO 0.00 0.11 -2.02 0.39 -0.57 0.00 0.00 179.45 177.35 1mxl n GLU 40 N -4.48 0.67 0.02 3.15 -0.58 -1.26 -4.04 120.64 114.13 1mxl n GLU 40 Ca 0.31 0.20 -0.12 0.00 -0.42 0.00 0.00 57.16 57.12 1mxl n GLU 40 Cb 1.25 -1.68 -0.09 0.00 -0.57 0.00 0.00 31.44 30.35 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 0.01 -0.09 -0.93 -4.62 7.12 -0.35 -3.21 115.31 113.24 1mxl h LEU 41 Ca -0.41 -0.46 0.20 0.00 0.13 0.00 0.00 57.88 57.34 1mxl h LEU 41 Cb 2.07 0.02 -0.11 0.00 -0.53 0.00 0.00 40.66 42.11 1mxl h LEU 41 CO 0.05 0.45 0.50 1.23 -0.13 0.00 0.00 178.44 180.53 1mxl h GLY 42 N -0.68 1.64 -0.69 3.75 0.00 0.96 0.19 103.07 108.24 1mxl h GLY 42 Ca -0.01 -0.26 0.38 0.00 0.00 0.00 0.00 47.33 47.44 1mxl h GLY 42 CO 0.02 -0.16 0.92 0.50 0.00 0.00 0.00 176.54 177.81 1mxl h LYS 43 N 0.57 0.08 0.00 4.80 1.79 -1.69 0.64 116.57 122.76 1mxl h LYS 43 Ca 0.56 -0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.81 1mxl h LYS 43 Cb 0.96 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.56 1mxl h LYS 43 CO -0.44 0.05 -1.11 0.28 -1.08 0.00 0.00 179.45 177.15 1mxl h VAL 44 N 0.08 1.49 -0.24 0.50 2.07 -0.75 -3.33 116.25 116.06 1mxl h VAL 44 Ca 0.67 -3.20 0.04 0.00 0.82 0.00 0.00 66.70 65.02 1mxl h VAL 44 Cb 2.42 2.73 -0.03 0.00 -1.52 0.00 0.00 31.29 34.89 1mxl h VAL 44 CO -0.11 0.85 0.02 0.24 0.02 0.00 0.00 177.57 178.59 1mxl h MET 45 N 0.00 0.11 0.00 1.57 2.86 0.35 0.17 114.93 119.98 1mxl h MET 45 Ca -0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1mxl h MET 45 Cb 1.79 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 1mxl h MET 45 CO 0.12 0.07 -0.04 0.07 1.06 0.00 0.00 176.91 178.19 1mxl h ARG 46 N 0.11 0.00 0.20 1.72 0.11 -1.29 0.47 114.38 115.69 1mxl h ARG 46 Ca 0.11 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.88 1mxl h ARG 46 Cb 0.13 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.23 1mxl h ARG 46 CO -0.17 0.04 -1.44 0.52 0.10 0.00 0.00 179.97 179.02 1mxl h MET 47 N 0.00 0.42 0.00 0.08 2.86 -1.30 -3.23 114.93 113.76 1mxl h MET 47 Ca -0.00 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 1mxl h MET 47 Cb 0.08 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1mxl h MET 47 CO 0.00 1.33 0.00 1.28 1.06 0.00 0.00 176.91 180.59 1mxl n LEU 48 N -3.62 0.00 0.00 1.22 4.77 -0.09 -4.81 117.00 114.47 1mxl n LEU 48 Ca -0.15 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1mxl n LEU 48 Cb 1.07 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1mxl n LEU 48 CO 0.57 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1mxl n GLY 49 N 0.14 1.79 1.17 -0.72 0.00 -1.05 -5.09 105.19 101.43 1mxl n GLY 49 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.19 0.22 -2.69 1.61 6.02 0.10 -5.01 117.38 116.44 1mxl n GLN 50 Ca 0.00 -1.04 -0.01 0.00 -0.01 0.00 0.00 57.00 55.94 1mxl n GLN 50 Cb 0.00 0.96 0.02 0.00 1.02 0.00 0.00 30.24 32.24 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mxl s ASN 51 N -1.78 -0.19 0.74 1.08 4.22 -1.26 -1.96 114.94 115.79 1mxl s ASN 51 Ca 0.11 -0.16 -0.11 0.00 -2.14 0.00 0.00 52.86 50.56 1mxl s ASN 51 Cb -0.00 0.24 0.04 0.00 1.28 0.00 0.00 41.25 42.81 1mxl s ASN 51 CO 0.08 -0.01 1.08 -2.16 -2.04 0.00 0.00 177.10 174.04 1mxl s PRO 52 N 1.46 2.55 0.80 3.55 0.04 -1.26 -5.04 135.00 137.10 1mxl s PRO 52 Ca 0.19 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 1mxl s PRO 52 Cb 0.09 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.77 1mxl s PRO 52 CO -0.13 -1.34 1.14 0.95 0.04 0.00 0.00 177.00 177.66 1mxl s THR 53 N -3.08 2.10 0.34 1.26 -4.23 -1.26 -4.84 115.64 105.93 1mxl s THR 53 Ca 0.59 -0.12 0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1mxl s THR 53 Cb -0.14 -2.98 0.06 0.00 1.34 0.00 0.00 72.50 70.78 1mxl s THR 53 CO 0.55 0.00 1.77 1.55 -0.54 0.00 0.00 174.62 177.94 1mxl h PRO 54 N -0.99 0.07 -0.22 3.99 0.13 -1.99 0.11 132.00 133.10 1mxl h PRO 54 Ca -0.45 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 1mxl h PRO 54 Cb 1.30 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1mxl h PRO 54 CO 0.57 0.47 -0.38 0.93 -0.23 0.00 0.00 178.00 179.36 1mxl h GLU 55 N 0.06 0.49 0.00 0.86 4.39 -2.03 -3.04 114.58 115.31 1mxl h GLU 55 Ca 0.00 -0.24 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 1mxl h GLU 55 Cb 0.75 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.38 1mxl h GLU 55 CO 0.06 0.80 -1.20 0.93 -1.16 0.00 0.00 179.01 178.44 1mxl h GLU 56 N 0.41 0.00 0.46 2.33 5.08 -1.88 -3.38 114.58 117.60 1mxl h GLU 56 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1mxl h GLU 56 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1mxl h GLU 56 CO 0.07 0.30 -0.46 1.25 -1.00 0.00 0.00 179.01 179.17 1mxl h LEU 57 N 0.00 -1.25 -1.62 1.33 6.46 -0.67 -0.90 115.31 118.65 1mxl h LEU 57 Ca -0.12 0.10 0.26 0.00 -0.12 0.00 0.00 57.88 58.00 1mxl h LEU 57 Cb 1.49 0.42 -0.04 0.00 -0.73 0.00 0.00 40.66 41.80 1mxl h LEU 57 CO 0.04 -0.62 0.88 -0.61 -0.62 0.00 0.00 178.44 177.52 1mxl h GLN 58 N -0.93 0.00 -0.44 1.25 -0.00 -1.73 0.34 115.11 113.61 1mxl h GLN 58 Ca -0.05 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.67 1mxl h GLN 58 Cb 0.82 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 28.23 1mxl h GLN 58 CO -0.06 0.00 0.07 1.49 0.00 0.00 0.00 178.83 180.32 1mxl h GLU 59 N 0.00 0.19 -0.81 1.69 4.81 -1.35 -0.28 114.58 118.83 1mxl h GLU 59 Ca 0.42 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.75 1mxl h GLU 59 Cb 2.17 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 31.45 1mxl h GLU 59 CO -0.00 0.12 0.53 0.52 -0.73 0.00 0.00 179.01 179.45 1mxl h MET 60 N 0.19 0.64 0.36 1.92 2.86 -1.02 -0.68 114.93 119.20 1mxl h MET 60 Ca 0.22 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1mxl h MET 60 Cb 0.28 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1mxl h MET 60 CO -0.30 0.42 -0.17 0.82 1.06 0.00 0.00 176.91 178.74 1mxl h ILE 61 N 0.66 0.00 -1.07 -1.22 5.03 -1.19 -3.19 117.51 116.52 1mxl h ILE 61 Ca 0.38 -0.39 0.29 0.00 -0.12 0.00 0.00 64.86 65.02 1mxl h ILE 61 Cb 0.58 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.29 1mxl h ILE 61 CO -0.15 0.00 0.71 -0.78 -0.68 0.00 0.00 178.15 177.25 1mxl h ASP 62 N -0.88 0.33 -1.01 1.72 3.58 -1.14 0.23 116.42 119.27 1mxl h ASP 62 Ca -0.05 0.07 0.22 0.00 0.42 0.00 0.00 57.03 57.69 1mxl h ASP 62 Cb 0.37 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.33 1mxl h ASP 62 CO 0.08 0.05 0.61 -0.08 -2.88 0.00 0.00 179.24 177.03 1mxl h GLU 63 N 0.29 0.61 -2.16 0.28 4.57 -1.11 -2.83 114.58 114.23 1mxl h GLU 63 Ca 0.59 -0.04 -0.55 0.00 -1.18 0.00 0.00 59.36 58.19 1mxl h GLU 63 Cb 1.70 -0.14 -0.41 0.00 -0.16 0.00 0.00 28.75 29.74 1mxl h GLU 63 CO -0.24 0.40 -0.87 1.33 -1.18 0.00 0.00 179.01 178.45 1mxl n VAL 64 N -4.79 1.63 -3.19 0.32 0.24 0.80 -5.00 118.33 108.34 1mxl n VAL 64 Ca 0.25 -5.12 0.01 0.00 -2.04 0.00 0.00 64.34 57.45 1mxl n VAL 64 Cb 0.69 -1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.02 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 -2.92 -1.14 -0.48 -1.34 -1.08 -1.07 -4.64 116.67 104.01 1mxl s ASP 65 Ca 0.44 0.43 0.07 0.00 -0.52 0.00 0.00 52.55 52.97 1mxl s ASP 65 Cb 0.30 1.91 0.39 0.00 -1.46 0.00 0.00 42.92 44.05 1mxl s ASP 65 CO -0.11 -0.29 1.00 -1.84 0.52 0.00 0.00 175.17 174.45 1mxl n GLU 66 N 5.41 2.95 -1.34 4.34 0.00 -1.26 -4.73 120.64 126.01 1mxl n GLU 66 Ca 0.01 -4.45 -0.01 0.00 0.00 0.00 0.00 57.16 52.72 1mxl n GLU 66 Cb 0.52 -2.11 -0.01 0.00 0.00 0.00 0.00 31.44 29.83 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1mxl n ASP 67 N -0.29 0.14 -3.94 -1.84 5.75 -1.26 -5.01 116.55 110.10 1mxl n ASP 67 Ca 0.32 -2.00 -0.39 0.00 -0.01 0.00 0.00 54.79 52.70 1mxl n ASP 67 Cb 0.57 -0.04 0.02 0.00 -1.03 0.00 0.00 41.12 40.64 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 0.23 -0.82 0.08 6.12 0.00 -1.26 -4.87 105.19 104.67 1mxl n GLY 68 Ca -0.09 0.36 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.43 3.48 0.00 1.61 3.41 -1.26 -5.01 113.62 113.42 1mxl n SER 69 Ca -0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1mxl n SER 69 Cb 0.59 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 3.29 1.85 3.58 5.00 0.00 -1.26 -5.00 105.19 112.65 1mxl n GLY 70 Ca -0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.57 1.10 0.03 2.61 -4.23 -1.26 -4.71 115.64 106.62 1mxl s THR 71 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 1mxl s THR 71 Cb 0.00 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 1mxl s THR 71 CO 0.00 0.00 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.13 1mxl s VAL 72 N -3.08 2.06 0.57 2.29 1.01 -0.97 -4.84 120.40 117.45 1mxl s VAL 72 Ca 0.24 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 60.97 1mxl s VAL 72 Cb 0.05 -1.75 0.07 0.00 0.00 0.00 0.00 36.38 34.74 1mxl s VAL 72 CO 0.12 0.38 0.55 -0.67 0.00 0.00 0.00 175.10 175.49 1mxl n ASP 73 N 1.91 2.60 0.19 3.32 2.03 -1.26 -1.61 116.55 123.72 1mxl n ASP 73 Ca -0.17 -2.82 0.12 0.00 0.52 0.00 0.00 54.79 52.44 1mxl n ASP 73 Cb 0.52 -0.17 0.63 0.00 -0.72 0.00 0.00 41.12 41.37 1mxl n ASP 73 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1mxl h PHE 74 N 0.49 0.00 0.00 -0.67 3.57 -1.96 -2.54 116.94 115.82 1mxl h PHE 74 Ca -0.33 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.11 1mxl h PHE 74 Cb 1.30 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1mxl h PHE 74 CO 0.00 0.00 -0.71 -0.44 -2.23 0.00 0.00 178.31 174.93 1mxl h ASP 75 N 0.00 0.00 -0.42 0.41 3.32 -1.97 -3.29 116.42 114.47 1mxl h ASP 75 Ca 0.00 -0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.04 1mxl h ASP 75 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1mxl h ASP 75 CO 0.00 0.95 0.58 -0.33 -1.72 0.00 0.00 179.24 178.73 1mxl h GLU 76 N -1.00 0.00 -0.00 3.56 5.08 -1.76 0.20 114.58 120.66 1mxl h GLU 76 Ca -0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1mxl h GLU 76 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1mxl h GLU 76 CO -0.06 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.29 1mxl h PHE 77 N 0.00 0.02 0.17 4.33 3.04 -1.60 -2.80 116.94 120.10 1mxl h PHE 77 Ca 0.20 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.15 1mxl h PHE 77 Cb 1.37 -0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.83 1mxl h PHE 77 CO 0.00 0.67 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.46 1mxl h LEU 78 N -0.63 -1.23 -2.47 0.59 3.38 -1.02 0.17 115.31 114.10 1mxl h LEU 78 Ca -0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1mxl h LEU 78 Cb 0.67 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1mxl h LEU 78 CO 0.00 -0.51 0.16 0.58 0.09 0.00 0.00 178.44 178.76 1mxl h VAL 79 N -0.69 0.00 0.00 1.22 2.07 -1.62 0.34 116.25 117.57 1mxl h VAL 79 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1mxl h VAL 79 Cb 0.70 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1mxl h VAL 79 CO -0.21 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.18 1mxl n MET 80 N -2.95 0.44 -0.02 1.57 0.00 0.59 -3.65 117.12 113.09 1mxl n MET 80 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 57.70 57.66 1mxl n MET 80 Cb 0.21 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.89 1mxl n MET 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1mxl n MET 81 N -1.27 3.16 0.24 2.12 2.00 0.12 -4.53 117.12 118.96 1mxl n MET 81 Ca 0.14 -0.00 0.17 0.00 0.00 0.00 0.00 57.70 58.01 1mxl n MET 81 Cb 0.23 -1.13 0.75 0.00 0.00 0.00 0.00 33.22 33.07 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 0.00 -0.02 2.03 2.07 -1.50 -2.76 116.25 116.08 1mxl h VAL 82 Ca -0.14 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 1mxl h VAL 82 Cb 1.30 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1mxl h VAL 82 CO 0.01 0.00 -0.48 0.03 0.02 0.00 0.00 177.57 177.15 1mxl h ARG 83 N 0.00 0.36 -0.87 1.57 3.08 -1.80 -3.24 114.38 113.48 1mxl h ARG 83 Ca 0.00 -0.36 -0.22 0.00 0.07 0.00 0.00 59.98 59.47 1mxl h ARG 83 Cb 0.32 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.33 1mxl h ARG 83 CO 0.00 1.04 0.28 0.00 -1.07 0.00 0.00 179.97 180.22 1mxl n MET 85 N -0.22 2.03 -2.50 0.00 2.81 -1.06 -4.92 117.12 113.26 1mxl n MET 85 Ca 0.34 -1.56 -0.33 0.00 -1.81 0.00 0.00 57.70 54.35 1mxl n MET 85 Cb 1.19 -1.43 -0.04 0.00 -0.71 0.00 0.00 33.22 32.24 1mxl n MET 85 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1mxl s LYS 86 N -1.65 3.93 0.94 0.03 0.00 -1.26 -5.02 119.74 116.71 1mxl s LYS 86 Ca 0.34 1.10 -0.11 0.00 0.00 0.00 0.00 55.97 57.30 1mxl s LYS 86 Cb 0.19 -2.13 0.16 0.00 0.00 0.00 0.00 37.83 36.05 1mxl s LYS 86 CO 0.27 -0.30 1.11 0.16 0.00 0.00 0.00 175.35 176.60 1mxl s ASP 87 N -2.59 2.79 -0.30 0.03 -4.77 -1.26 -5.04 116.67 105.53 1mxl s ASP 87 Ca 0.62 1.95 -0.09 0.00 -3.30 0.00 0.00 52.55 51.73 1mxl s ASP 87 Cb -0.11 -2.48 0.16 0.00 -1.09 0.00 0.00 42.92 39.40 1mxl s ASP 87 CO 0.25 -3.14 0.77 -0.62 0.70 0.00 0.00 175.17 173.13 1mxl s ASP 88 N -2.80 -0.98 0.00 2.11 2.15 -1.26 -5.20 116.67 110.68 1mxl s ASP 88 Ca 0.66 1.00 0.00 0.00 0.43 0.00 0.00 52.55 54.64 1mxl s ASP 88 Cb -0.22 1.98 0.00 0.00 -0.30 0.00 0.00 42.92 44.38 1mxl s ASP 88 CO 0.59 -0.19 0.05 -1.54 -0.17 0.00 0.00 175.17 173.92