#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mxl s ASP 2 N 0.00 2.68 -0.94 6.12 -1.08 -1.26 -5.02 116.67 117.17 1mxl s ASP 2 Ca 0.00 -0.44 -0.11 0.00 -0.52 0.00 0.00 52.55 51.48 1mxl s ASP 2 Cb 0.00 -0.28 -0.08 0.00 -1.46 0.00 0.00 42.92 41.10 1mxl s ASP 2 CO 0.00 0.26 2.11 0.47 0.52 0.00 0.00 175.17 178.53 1mxl n ASP 3 N 2.37 4.43 -0.02 -0.34 9.92 -1.26 -4.01 116.55 127.65 1mxl n ASP 3 Ca -0.16 -2.45 -0.02 0.00 -0.53 0.00 0.00 54.79 51.63 1mxl n ASP 3 Cb 0.52 -1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mxl n ILE 4 N 4.70 0.19 -0.05 0.53 3.06 -1.26 -4.63 119.36 121.90 1mxl n ILE 4 Ca 0.48 -0.08 -0.01 0.00 -2.50 0.00 0.00 62.75 60.64 1mxl n ILE 4 Cb 0.22 -0.69 -0.01 0.00 0.54 0.00 0.00 39.64 39.70 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1mxl h TYR 5 N 0.00 0.00 -1.66 9.51 0.05 -1.99 -2.73 116.97 120.15 1mxl h TYR 5 Ca -0.07 0.00 0.49 0.00 0.05 0.00 0.00 58.73 59.19 1mxl h TYR 5 Cb 1.13 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.79 1mxl h TYR 5 CO 0.00 0.07 1.18 0.87 -1.05 0.00 0.00 178.16 179.23 1mxl h LYS 6 N -1.00 0.01 0.14 4.88 1.57 -1.88 0.55 116.57 120.84 1mxl h LYS 6 Ca -0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1mxl h LYS 6 Cb 0.09 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1mxl h LYS 6 CO -0.00 0.01 -0.85 0.00 -0.57 0.00 0.00 179.45 178.03 1mxl h ALA 7 N 1.20 -0.07 -0.51 3.86 0.00 -1.82 -3.23 119.26 118.69 1mxl h ALA 7 Ca 0.81 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1mxl h ALA 7 Cb 3.17 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 21.07 1mxl h ALA 7 CO -0.06 0.41 0.15 0.00 0.00 0.00 0.00 179.25 179.75 1mxl h ALA 8 N 0.07 0.67 0.01 0.00 0.00 0.29 -2.85 119.26 117.45 1mxl h ALA 8 Ca -0.15 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1mxl h ALA 8 Cb 1.65 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1mxl h ALA 8 CO 0.14 0.34 -0.32 0.28 0.00 0.00 0.00 179.25 179.69 1mxl h VAL 9 N 0.70 0.30 -0.03 0.00 2.07 -0.94 0.19 116.25 118.54 1mxl h VAL 9 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1mxl h VAL 9 Cb 0.30 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1mxl h VAL 9 CO -0.00 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.44 1mxl h GLU 10 N -0.48 0.00 0.00 1.57 4.39 -1.55 0.31 114.58 118.82 1mxl h GLU 10 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1mxl h GLU 10 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1mxl h GLU 10 CO -0.26 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.63 1mxl n GLN 11 N -3.12 0.19 -1.86 2.33 6.02 0.64 -4.85 117.38 116.74 1mxl n GLN 11 Ca -0.02 0.17 -0.38 0.00 -0.01 0.00 0.00 57.00 56.77 1mxl n GLN 11 Cb 0.25 -1.73 0.04 0.00 1.02 0.00 0.00 30.24 29.81 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 -4.15 3.84 0.26 1.08 1.43 0.11 -5.02 118.68 116.24 1mxl s LEU 12 Ca 0.11 2.67 0.09 0.00 -1.03 0.00 0.00 54.13 55.97 1mxl s LEU 12 Cb 0.14 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1mxl s LEU 12 CO 0.57 -1.52 0.08 0.42 0.23 0.00 0.00 176.35 176.13 1mxl s THR 13 N -1.36 3.85 0.30 5.49 -4.23 -1.26 -4.97 115.64 113.46 1mxl s THR 13 Ca 0.72 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 1mxl s THR 13 Cb -0.38 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 70.68 1mxl s THR 13 CO 0.45 -0.36 1.82 -0.08 -0.54 0.00 0.00 174.62 175.91 1mxl h GLU 14 N 1.72 0.85 0.24 3.99 4.81 -1.99 -0.75 114.58 123.45 1mxl h GLU 14 Ca -0.46 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1mxl h GLU 14 Cb 1.25 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1mxl h GLU 14 CO 0.61 0.56 -0.11 0.93 -0.73 0.00 0.00 179.01 180.26 1mxl h GLU 15 N 0.87 -0.31 -0.86 1.92 4.39 -2.00 -2.92 114.58 115.68 1mxl h GLU 15 Ca 0.52 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.46 1mxl h GLU 15 Cb 0.66 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.24 1mxl h GLU 15 CO -0.29 -0.21 0.15 0.37 -1.16 0.00 0.00 179.01 177.87 1mxl h GLN 16 N -0.41 0.15 -0.88 2.33 4.15 -1.93 0.82 115.11 119.34 1mxl h GLN 16 Ca -0.03 -0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.59 1mxl h GLN 16 Cb 0.25 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1mxl h GLN 16 CO 0.05 0.10 0.59 0.87 -1.93 0.00 0.00 178.83 178.51 1mxl h LYS 17 N 0.15 0.32 0.00 1.69 1.57 -1.13 0.91 116.57 120.09 1mxl h LYS 17 Ca 0.52 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1mxl h LYS 17 Cb 1.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.27 1mxl h LYS 17 CO -0.69 0.21 0.00 0.09 -0.57 0.00 0.00 179.45 178.49 1mxl n ASN 18 N -4.47 0.14 -0.01 0.86 3.02 0.28 -2.41 115.26 112.68 1mxl n ASN 18 Ca 0.19 0.53 -0.21 0.00 -0.03 0.00 0.00 54.58 55.05 1mxl n ASN 18 Cb 0.73 -0.56 -0.13 0.00 -0.61 0.00 0.00 39.78 39.20 1mxl n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1mxl h GLU 19 N 0.00 0.19 -0.02 3.52 5.08 0.96 -3.36 114.58 120.95 1mxl h GLU 19 Ca 0.00 -0.33 -0.13 0.00 -1.00 0.00 0.00 59.36 57.90 1mxl h GLU 19 Cb 0.36 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1mxl h GLU 19 CO 0.00 1.16 -0.59 0.74 -1.00 0.00 0.00 179.01 179.31 1mxl h PHE 20 N -0.45 0.08 -0.76 4.33 0.04 -1.48 -2.96 116.94 115.75 1mxl h PHE 20 Ca -0.29 -0.03 0.22 0.00 2.80 0.00 0.00 57.97 60.67 1mxl h PHE 20 Cb 1.64 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.74 1mxl h PHE 20 CO 0.13 0.64 0.59 1.57 -0.60 0.00 0.00 178.31 180.64 1mxl h LYS 21 N 0.05 0.00 0.39 1.51 5.09 -1.62 -1.00 116.57 120.99 1mxl h LYS 21 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.72 1mxl h LYS 21 Cb 1.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.40 1mxl h LYS 21 CO 0.08 0.00 -0.19 0.00 -2.09 0.00 0.00 179.45 177.25 1mxl h ALA 22 N 1.54 -0.53 0.62 0.07 0.00 -1.69 -0.29 119.26 118.98 1mxl h ALA 22 Ca 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1mxl h ALA 22 Cb 1.53 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.54 1mxl h ALA 22 CO -0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 179.25 178.15 1mxl h ALA 23 N 0.08 -0.83 -0.86 0.00 0.00 -1.38 -2.69 119.26 113.58 1mxl h ALA 23 Ca -0.05 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 54.88 1mxl h ALA 23 Cb 0.41 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1mxl h ALA 23 CO 0.09 -0.92 0.18 0.35 0.00 0.00 0.00 179.25 178.95 1mxl h PHE 24 N -0.94 0.25 -0.42 0.00 3.57 -1.43 0.35 116.94 118.32 1mxl h PHE 24 Ca -0.09 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.54 1mxl h PHE 24 Cb 0.67 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 1mxl h PHE 24 CO -0.01 -0.23 0.04 0.22 -2.23 0.00 0.00 178.31 176.10 1mxl h ASP 25 N 0.17 -0.08 0.44 0.41 3.58 -0.77 0.27 116.42 120.44 1mxl h ASP 25 Ca 0.53 0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.99 1mxl h ASP 25 Cb 1.04 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 1mxl h ASP 25 CO -0.67 -0.01 -0.34 0.40 -2.88 0.00 0.00 179.24 175.74 1mxl h ILE 26 N 0.16 1.11 0.00 2.25 5.03 -0.11 -2.13 117.51 123.82 1mxl h ILE 26 Ca 0.21 -1.20 0.00 0.00 -0.12 0.00 0.00 64.86 63.74 1mxl h ILE 26 Cb 0.28 1.67 0.00 0.00 -3.03 0.00 0.00 36.82 35.74 1mxl h ILE 26 CO -0.30 0.33 0.00 -0.26 -0.68 0.00 0.00 178.15 177.24 1mxl h PHE 27 N 0.00 0.00 -0.11 1.37 -1.00 0.13 -2.37 116.94 114.95 1mxl h PHE 27 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1mxl h PHE 27 Cb 0.65 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1mxl h PHE 27 CO 0.00 0.00 -0.12 1.33 -1.61 0.00 0.00 178.31 177.91 1mxl n VAL 28 N -2.61 2.15 -1.83 -0.55 0.24 -0.81 -3.39 118.33 111.53 1mxl n VAL 28 Ca 0.00 -2.49 -0.38 0.00 -2.04 0.00 0.00 64.34 59.44 1mxl n VAL 28 Cb 0.19 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 1mxl n VAL 28 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1mxl s LEU 29 N -3.01 3.35 0.00 1.34 0.20 -0.90 -1.68 118.68 117.98 1mxl s LEU 29 Ca 0.37 0.70 0.00 0.00 0.69 0.00 0.00 54.13 55.89 1mxl s LEU 29 Cb 0.33 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.54 1mxl s LEU 29 CO 0.01 -2.58 0.00 0.61 -0.29 0.00 0.00 176.35 174.11 1mxl n GLY 30 N 5.83 0.87 3.69 7.98 0.00 -1.26 -4.84 105.19 117.46 1mxl n GLY 30 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.92 1.70 -0.21 4.61 0.00 -0.68 -4.98 121.76 121.27 1mxl s ALA 31 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 51.96 52.41 1mxl s ALA 31 Cb 0.00 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.54 1mxl s ALA 31 CO 0.00 -2.47 -0.03 -1.91 0.00 0.00 0.00 175.76 171.35 1mxl n GLU 32 N -3.84 0.55 0.03 0.00 2.13 -1.26 -4.71 120.64 113.53 1mxl n GLU 32 Ca 0.12 0.47 -0.02 0.00 0.66 0.00 0.00 57.16 58.39 1mxl n GLU 32 Cb 0.52 -1.65 -0.01 0.00 0.27 0.00 0.00 31.44 30.57 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1mxl h ASP 33 N -1.00 -0.08 0.00 4.31 5.19 -1.98 -3.49 116.42 119.38 1mxl h ASP 33 Ca -0.36 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1mxl h ASP 33 Cb 1.23 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1mxl h ASP 33 CO -0.22 0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.59 1mxl n GLY 34 N 1.27 -0.84 3.36 2.75 0.00 -1.26 -5.18 105.19 105.28 1mxl n GLY 34 Ca -0.01 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.37 1.93 -0.13 0.00 1.01 0.73 -4.52 121.20 116.84 1mxl s ILE 36 Ca 0.35 -1.68 0.12 0.00 0.00 0.00 0.00 60.65 59.43 1mxl s ILE 36 Cb 0.02 -1.76 0.26 0.00 0.01 0.00 0.00 42.46 41.00 1mxl s ILE 36 CO 0.24 -0.05 1.20 -0.24 0.00 0.00 0.00 174.94 176.08 1mxl n SER 37 N 0.89 -0.42 0.00 3.58 2.88 -1.26 -1.13 113.62 118.16 1mxl n SER 37 Ca -0.18 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.30 1mxl n SER 37 Cb 0.54 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 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 -0.41 0.00 -0.31 2.46 -2.24 -1.26 -4.64 114.28 107.88 1mxl n THR 38 Ca -0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1mxl n THR 38 Cb 0.85 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.56 0.00 -0.78 3.64 -1.95 1.36 116.57 119.40 1mxl h LYS 39 Ca 0.00 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.18 1mxl h LYS 39 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1mxl h LYS 39 CO 0.00 0.37 -1.61 0.39 -2.27 0.00 0.00 179.45 176.33 1mxl n GLU 40 N -4.90 0.64 -0.07 1.90 -0.58 -1.26 -4.09 120.64 112.27 1mxl n GLU 40 Ca 0.19 0.12 -0.14 0.00 -0.42 0.00 0.00 57.16 56.92 1mxl n GLU 40 Cb 0.52 -1.73 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.07 -4.62 5.85 -1.23 -3.27 115.31 109.98 1mxl h LEU 41 Ca -0.19 -0.99 0.07 0.00 0.84 0.00 0.00 57.88 57.61 1mxl h LEU 41 Cb 1.56 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1mxl h LEU 41 CO 0.03 1.00 0.35 1.23 -0.34 0.00 0.00 178.44 180.71 1mxl h GLY 42 N -0.99 0.00 2.00 3.75 0.00 0.15 0.16 103.07 108.15 1mxl h GLY 42 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mxl h GLY 42 CO 0.00 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.03 1mxl h LYS 43 N 0.00 0.00 0.00 4.80 1.79 -1.71 -1.67 116.57 119.79 1mxl h LYS 43 Ca 0.12 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.33 1mxl h LYS 43 Cb 0.81 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 1mxl h LYS 43 CO -0.00 0.01 -1.40 0.28 -1.08 0.00 0.00 179.45 177.27 1mxl h VAL 44 N 0.00 1.23 -0.70 0.50 2.07 -0.86 -3.28 116.25 115.22 1mxl h VAL 44 Ca -0.00 -3.02 0.08 0.00 0.82 0.00 0.00 66.70 64.58 1mxl h VAL 44 Cb 0.04 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.36 1mxl h VAL 44 CO 0.00 0.71 0.37 0.24 0.02 0.00 0.00 177.57 178.91 1mxl h MET 45 N 0.00 0.63 -0.24 1.57 2.86 -1.33 -1.20 114.93 117.23 1mxl h MET 45 Ca -0.16 -0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.28 1mxl h MET 45 Cb 1.91 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 1mxl h MET 45 CO 0.10 0.42 -0.48 0.00 1.06 0.00 0.00 176.91 178.01 1mxl h ARG 46 N 0.65 0.63 -0.32 1.72 3.08 -1.53 0.16 114.38 118.78 1mxl h ARG 46 Ca 0.33 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1mxl h ARG 46 Cb 0.29 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1mxl h ARG 46 CO -0.23 0.98 0.12 0.52 -1.07 0.00 0.00 179.97 180.29 1mxl h MET 47 N 0.50 0.44 0.00 0.04 2.86 -1.37 -1.04 114.93 116.37 1mxl h MET 47 Ca 0.02 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1mxl h MET 47 Cb 1.03 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1mxl h MET 47 CO 0.10 0.37 -0.09 -0.07 1.06 0.00 0.00 176.91 178.28 1mxl h LEU 48 N 0.44 0.00 0.00 1.22 3.38 -1.07 -3.46 115.31 115.82 1mxl h LEU 48 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1mxl h LEU 48 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1mxl h LEU 48 CO -0.01 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1mxl n GLY 49 N 0.85 1.65 0.00 0.83 0.00 -0.39 -5.12 105.19 103.01 1mxl n GLY 49 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.75 1.39 0.00 1.61 3.00 0.54 -4.99 117.38 118.19 1mxl n GLN 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1mxl n GLN 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1mxl n GLN 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1mxl n ASN 51 N -1.36 0.00 -4.69 1.08 2.85 -1.26 -3.02 115.26 108.86 1mxl n ASN 51 Ca 0.00 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.18 1mxl n ASN 51 Cb 0.00 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.19 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1mxl s PRO 52 N 0.00 0.56 0.85 1.20 0.04 -1.26 -5.04 135.00 131.35 1mxl s PRO 52 Ca 0.00 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.32 1mxl s PRO 52 Cb 0.00 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1mxl s PRO 52 CO 0.00 -2.62 1.19 0.95 0.04 0.00 0.00 177.00 176.56 1mxl s THR 53 N -3.08 1.99 0.17 1.26 -4.23 -1.26 -4.88 115.64 105.62 1mxl s THR 53 Ca 0.65 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1mxl s THR 53 Cb -0.17 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.63 1mxl s THR 53 CO 0.56 0.00 1.45 1.55 -0.54 0.00 0.00 174.62 177.64 1mxl h PRO 54 N -1.22 0.54 0.00 3.99 0.13 -2.00 -1.89 132.00 131.54 1mxl h PRO 54 Ca -0.47 -0.39 -0.10 0.00 -0.87 0.00 0.00 66.00 64.17 1mxl h PRO 54 Cb 1.32 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1mxl h PRO 54 CO 0.62 1.01 -0.49 0.93 -0.23 0.00 0.00 178.00 179.84 1mxl h GLU 55 N 0.39 0.00 0.13 0.86 3.07 -2.02 -3.21 114.58 113.80 1mxl h GLU 55 Ca -0.02 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.62 1mxl h GLU 55 Cb 1.22 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1mxl h GLU 55 CO 0.12 0.49 -0.95 0.93 -1.40 0.00 0.00 179.01 178.20 1mxl h GLU 56 N 0.00 0.41 -0.74 2.33 4.39 -1.91 -3.33 114.58 115.73 1mxl h GLU 56 Ca -0.00 -0.62 0.12 0.00 0.34 0.00 0.00 59.36 59.19 1mxl h GLU 56 Cb 1.01 0.22 -0.13 0.00 -0.10 0.00 0.00 28.75 29.75 1mxl h GLU 56 CO 0.06 1.27 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.73 1mxl h LEU 57 N -0.14 -1.38 -1.97 1.33 3.38 -1.34 1.79 115.31 116.97 1mxl h LEU 57 Ca -0.16 0.26 0.21 0.00 0.09 0.00 0.00 57.88 58.29 1mxl h LEU 57 Cb 1.71 0.68 -0.03 0.00 0.09 0.00 0.00 40.66 43.11 1mxl h LEU 57 CO 0.18 -0.30 0.58 1.56 0.09 0.00 0.00 178.44 180.54 1mxl h GLN 58 N -0.12 0.00 -0.69 1.13 4.20 -1.67 0.43 115.11 118.40 1mxl h GLN 58 Ca 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1mxl h GLN 58 Cb 0.56 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 1mxl h GLN 58 CO -0.80 0.00 0.35 1.49 -0.67 0.00 0.00 178.83 179.20 1mxl h GLU 59 N 0.00 0.96 0.00 1.46 4.57 0.26 0.26 114.58 122.10 1mxl h GLU 59 Ca 0.35 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1mxl h GLU 59 Cb 1.50 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1mxl h GLU 59 CO -0.00 0.73 -0.17 1.98 -1.18 0.00 0.00 179.01 180.37 1mxl h MET 60 N 0.97 0.00 0.06 1.92 4.05 0.08 -0.95 114.93 121.06 1mxl h MET 60 Ca 0.24 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.43 1mxl h MET 60 Cb 0.07 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1mxl h MET 60 CO -0.03 0.17 -1.21 0.82 0.23 0.00 0.00 176.91 176.88 1mxl h ILE 61 N 0.00 1.07 0.00 1.77 5.03 -1.05 -3.32 117.51 121.01 1mxl h ILE 61 Ca -0.00 -2.32 0.00 0.00 -0.12 0.00 0.00 64.86 62.42 1mxl h ILE 61 Cb 0.37 2.64 0.00 0.00 -3.03 0.00 0.00 36.82 36.79 1mxl h ILE 61 CO 0.02 0.58 0.00 -0.78 -0.68 0.00 0.00 178.15 177.29 1mxl h ASP 62 N -0.59 0.00 0.26 1.72 1.82 -0.45 -2.28 116.42 116.90 1mxl h ASP 62 Ca -0.29 0.00 -0.14 0.00 -0.39 0.00 0.00 57.03 56.22 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 -0.03 0.00 -0.53 -0.08 -1.61 0.00 0.00 179.24 176.99 1mxl h GLU 63 N 0.00 0.30 -0.62 0.28 4.57 -1.27 -3.24 114.58 114.60 1mxl h GLU 63 Ca 0.00 -0.18 -0.45 0.00 -1.18 0.00 0.00 59.36 57.55 1mxl h GLU 63 Cb 0.23 0.02 -0.37 0.00 -0.16 0.00 0.00 28.75 28.46 1mxl h GLU 63 CO 0.00 0.75 -0.81 1.33 -1.18 0.00 0.00 179.01 179.10 1mxl n VAL 64 N -3.94 2.34 -3.81 0.32 0.24 -0.88 -4.96 118.33 107.63 1mxl n VAL 64 Ca -0.02 -3.94 -0.35 0.00 -2.04 0.00 0.00 64.34 57.99 1mxl n VAL 64 Cb 0.57 -0.77 -0.12 0.00 -1.47 0.00 0.00 33.84 32.04 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 -3.55 5.17 -0.06 -1.34 -1.08 -1.05 -4.64 116.67 110.11 1mxl s ASP 65 Ca 0.47 -2.11 0.08 0.00 -0.52 0.00 0.00 52.55 50.47 1mxl s ASP 65 Cb 0.40 -1.80 0.33 0.00 -1.46 0.00 0.00 42.92 40.39 1mxl s ASP 65 CO 0.02 -0.51 1.12 1.21 0.52 0.00 0.00 175.17 177.53 1mxl n GLU 66 N 4.46 2.33 0.00 4.34 2.13 -1.26 -3.66 120.64 128.99 1mxl n GLU 66 Ca -0.01 -1.29 0.00 0.00 0.66 0.00 0.00 57.16 56.52 1mxl n GLU 66 Cb 0.41 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.51 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 0.34 0.31 -4.04 4.31 5.68 -1.26 -5.02 116.55 116.88 1mxl n ASP 67 Ca 0.12 -1.11 -0.27 0.00 -0.50 0.00 0.00 54.79 53.03 1mxl n ASP 67 Cb 0.51 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.05 -0.21 0.08 6.12 0.00 -1.24 -4.84 105.19 105.03 1mxl n GLY 68 Ca 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.81 0.00 0.00 1.61 4.64 -1.95 -3.48 113.55 112.56 1mxl h SER 69 Ca -0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1mxl h SER 69 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1mxl h SER 69 CO 0.65 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 178.21 1mxl n GLY 70 N 1.49 2.86 3.72 -0.77 0.00 -1.26 -5.04 105.19 106.19 1mxl n GLY 70 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.67 1.24 0.25 2.61 -4.23 -1.26 -4.83 115.64 106.75 1mxl s THR 71 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1mxl s THR 71 Cb 0.00 -2.29 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1mxl s THR 71 CO 0.00 0.00 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.37 1mxl s VAL 72 N -2.88 1.23 0.23 2.29 1.01 -0.28 -4.89 120.40 117.11 1mxl s VAL 72 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.03 1mxl s VAL 72 Cb 0.03 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1mxl s VAL 72 CO 0.06 -0.30 0.29 -0.90 0.00 0.00 0.00 175.10 174.25 1mxl n ASP 73 N -0.48 -0.81 0.22 3.32 5.68 -1.26 -0.19 116.55 123.02 1mxl n ASP 73 Ca -0.05 -2.30 0.12 0.00 -0.50 0.00 0.00 54.79 52.06 1mxl n ASP 73 Cb 0.64 1.56 0.63 0.00 -1.14 0.00 0.00 41.12 42.81 1mxl n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1mxl h PHE 74 N 1.68 0.00 0.00 2.11 3.57 -1.97 0.13 116.94 122.46 1mxl h PHE 74 Ca -0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1mxl h PHE 74 Cb 0.79 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1mxl h PHE 74 CO 0.00 0.00 -0.16 0.22 -2.23 0.00 0.00 178.31 176.14 1mxl h ASP 75 N 0.00 0.00 0.17 0.41 3.58 -1.98 -3.26 116.42 115.34 1mxl h ASP 75 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1mxl h ASP 75 Cb 0.35 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1mxl h ASP 75 CO 0.00 0.35 -0.10 -0.33 -2.88 0.00 0.00 179.24 176.28 1mxl h GLU 76 N -0.54 0.00 -0.57 0.28 5.08 -1.77 -2.46 114.58 114.59 1mxl h GLU 76 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1mxl h GLU 76 Cb 0.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1mxl h GLU 76 CO 0.00 0.10 0.12 0.35 -1.00 0.00 0.00 179.01 178.58 1mxl h PHE 77 N 0.00 0.97 -0.08 4.33 3.57 -0.92 -3.07 116.94 121.74 1mxl h PHE 77 Ca -0.00 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.41 1mxl h PHE 77 Cb 0.21 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1mxl h PHE 77 CO 0.00 0.84 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.67 1mxl h LEU 78 N 0.82 -0.54 -1.62 0.59 3.38 -1.48 -0.66 115.31 115.80 1mxl h LEU 78 Ca 0.18 0.09 0.22 0.00 0.09 0.00 0.00 57.88 58.46 1mxl h LEU 78 Cb 0.37 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1mxl h LEU 78 CO 0.01 -0.23 0.62 0.58 0.09 0.00 0.00 178.44 179.50 1mxl h VAL 79 N -0.25 0.63 0.00 1.22 2.07 -1.59 0.70 116.25 119.03 1mxl h VAL 79 Ca 0.08 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1mxl h VAL 79 Cb 0.37 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1mxl h VAL 79 CO -0.23 0.05 0.00 -0.03 0.02 0.00 0.00 177.57 177.39 1mxl h MET 80 N 0.30 0.00 -0.11 1.57 -1.53 -1.04 -1.90 114.93 112.23 1mxl h MET 80 Ca 0.47 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.73 1mxl h MET 80 Cb 1.34 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.39 1mxl h MET 80 CO -0.15 0.00 0.00 -1.33 0.14 0.00 0.00 176.91 175.57 1mxl n MET 81 N -2.44 2.09 -0.11 0.39 2.00 0.24 -4.37 117.12 114.92 1mxl n MET 81 Ca 0.01 -1.88 -0.15 0.00 0.00 0.00 0.00 57.70 55.68 1mxl n MET 81 Cb 0.19 -1.43 -0.14 0.00 0.00 0.00 0.00 33.22 31.85 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1mxl n VAL 82 N 1.24 1.48 0.22 2.03 0.31 -0.72 -4.19 118.33 118.70 1mxl n VAL 82 Ca 0.14 -0.69 0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1mxl n VAL 82 Cb 0.55 -1.09 0.48 0.00 -0.91 0.00 0.00 33.84 32.87 1mxl n VAL 82 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1mxl n ARG 83 N -3.09 0.13 -2.36 5.55 1.74 -1.17 -2.65 116.66 114.82 1mxl n ARG 83 Ca -0.39 0.55 -0.33 0.00 -0.77 0.00 0.00 57.85 56.90 1mxl n ARG 83 Cb 1.06 -1.86 0.01 0.00 -1.02 0.00 0.00 32.46 30.64 1mxl n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mxl n MET 85 N -0.42 0.98 0.00 0.00 2.81 -1.08 -5.07 117.12 114.34 1mxl n MET 85 Ca 0.44 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.34 1mxl n MET 85 Cb 0.43 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.41 1mxl n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1mxl n LYS 86 N 0.32 2.74 -3.77 0.03 0.00 -1.26 -4.87 118.16 111.35 1mxl n LYS 86 Ca 0.20 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.16 1mxl n LYS 86 Cb 0.67 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.74 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1mxl n ASP 87 N 0.00 -5.05 -3.01 -5.58 -0.08 -1.26 -4.83 116.55 96.74 1mxl n ASP 87 Ca 0.00 -1.08 -0.35 0.00 -1.51 0.00 0.00 54.79 51.86 1mxl n ASP 87 Cb 0.00 -3.01 -0.02 0.00 2.34 0.00 0.00 41.12 40.43 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1mxl n ASP 88 N -2.56 7.24 0.00 1.67 -0.08 -1.26 -5.32 116.55 116.24 1mxl n ASP 88 Ca -0.10 -3.31 0.00 0.00 -1.51 0.00 0.00 54.79 49.87 1mxl n ASP 88 Cb 0.58 -1.25 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78