#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 2.27 -2.76 6.12 -0.08 -1.26 -4.64 116.55 116.20 1mxl n ASP 2 Ca 0.00 -2.50 -0.37 0.00 -1.51 0.00 0.00 54.79 50.41 1mxl n ASP 2 Cb 0.00 -0.89 0.03 0.00 2.34 0.00 0.00 41.12 42.60 1mxl n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mxl n ASP 3 N 7.02 7.37 -0.01 1.67 8.00 -1.26 -4.45 116.55 134.90 1mxl n ASP 3 Ca 0.43 -3.72 0.03 0.00 0.71 0.00 0.00 54.79 52.23 1mxl n ASP 3 Cb 0.32 -1.08 -0.12 0.00 -0.02 0.00 0.00 41.12 40.21 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mxl n ILE 4 N -0.35 0.77 -0.00 0.53 0.13 -1.26 -4.16 119.36 115.03 1mxl n ILE 4 Ca 0.54 -0.65 -0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1mxl n ILE 4 Cb 0.34 -0.38 -0.00 0.00 -0.84 0.00 0.00 39.64 38.76 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 -2.62 0.00 -0.54 9.51 4.01 -1.26 -3.81 117.16 122.45 1mxl n TYR 5 Ca -0.12 0.00 0.45 0.00 -0.16 0.00 0.00 57.90 58.06 1mxl n TYR 5 Cb 0.79 -0.02 0.78 0.00 -0.31 0.00 0.00 39.34 40.58 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 -0.04 0.01 0.08 -0.72 1.79 -1.85 0.60 116.57 116.45 1mxl h LYS 6 Ca 0.00 -0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.30 1mxl h LYS 6 Cb 0.04 -0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1mxl h LYS 6 CO 0.00 0.01 -0.70 0.00 -1.08 0.00 0.00 179.45 177.68 1mxl h ALA 7 N 1.22 -0.02 -0.66 3.86 0.00 -1.80 -3.25 119.26 118.60 1mxl h ALA 7 Ca 0.78 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1mxl h ALA 7 Cb 3.07 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 20.90 1mxl h ALA 7 CO -0.05 0.35 0.39 0.00 0.00 0.00 0.00 179.25 179.95 1mxl h ALA 8 N 0.18 0.85 -0.50 0.00 0.00 0.03 -2.62 119.26 117.20 1mxl h ALA 8 Ca -0.11 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1mxl h ALA 8 Cb 1.48 -0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1mxl h ALA 8 CO 0.13 0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.89 1mxl h VAL 9 N 0.90 0.51 0.00 0.00 2.07 -1.18 0.94 116.25 119.50 1mxl h VAL 9 Ca 0.24 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1mxl h VAL 9 Cb -0.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1mxl h VAL 9 CO -0.04 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.93 1mxl n GLU 10 N -5.35 0.05 -0.99 1.57 1.02 -1.01 -1.75 120.64 114.19 1mxl n GLU 10 Ca 0.05 0.38 -0.01 0.00 -0.02 0.00 0.00 57.16 57.56 1mxl n GLU 10 Cb 0.27 -1.62 0.35 0.00 -0.02 0.00 0.00 31.44 30.42 1mxl n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1mxl n GLN 11 N -1.72 4.22 -2.35 3.49 6.02 0.32 -4.97 117.38 122.39 1mxl n GLN 11 Ca 0.02 -3.13 -0.25 0.00 -0.01 0.00 0.00 57.00 53.63 1mxl n GLN 11 Cb 0.13 -2.25 0.09 0.00 1.02 0.00 0.00 30.24 29.23 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 -2.92 2.92 0.12 1.08 1.43 -0.71 -5.03 118.68 115.57 1mxl s LEU 12 Ca 0.55 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 1mxl s LEU 12 Cb 0.43 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1mxl s LEU 12 CO 0.15 -1.78 -0.20 0.42 0.23 0.00 0.00 176.35 175.16 1mxl s THR 13 N -3.23 1.74 0.44 5.49 -4.23 -1.26 -4.97 115.64 109.62 1mxl s THR 13 Ca 0.64 -1.63 0.24 0.00 -1.18 0.00 0.00 61.69 59.75 1mxl s THR 13 Cb -0.08 -1.63 0.43 0.00 1.34 0.00 0.00 72.50 72.57 1mxl s THR 13 CO 0.45 -0.12 1.80 -0.08 -0.54 0.00 0.00 174.62 176.13 1mxl h GLU 14 N 3.88 0.26 0.10 3.99 4.81 -1.99 0.20 114.58 125.84 1mxl h GLU 14 Ca -0.45 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1mxl h GLU 14 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1mxl h GLU 14 CO 0.42 0.17 -0.05 1.49 -0.73 0.00 0.00 179.01 180.32 1mxl h GLU 15 N 0.27 -0.13 -0.70 1.92 4.81 -1.97 -2.10 114.58 116.68 1mxl h GLU 15 Ca 0.56 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.87 1mxl h GLU 15 Cb 1.66 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.00 1mxl h GLU 15 CO -0.20 0.12 0.38 0.37 -0.73 0.00 0.00 179.01 178.95 1mxl h GLN 16 N -1.01 0.66 0.00 1.92 4.15 -1.84 0.33 115.11 119.32 1mxl h GLN 16 Ca -0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1mxl h GLN 16 Cb 0.30 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1mxl h GLN 16 CO 0.02 0.43 -0.27 -0.22 -1.93 0.00 0.00 178.83 176.87 1mxl h LYS 17 N 0.68 0.00 0.00 1.69 3.11 -0.74 -2.44 116.57 118.87 1mxl h LYS 17 Ca 0.33 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.10 1mxl h LYS 17 Cb 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1mxl h LYS 17 CO -0.22 0.27 -0.31 -0.91 -2.81 0.00 0.00 179.45 175.47 1mxl h ASN 18 N 0.00 0.00 0.04 4.20 4.21 -0.24 -2.86 115.58 120.93 1mxl h ASN 18 Ca -0.00 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.23 1mxl h ASN 18 Cb 0.68 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.91 1mxl h ASN 18 CO 0.04 0.31 -1.10 -0.08 -1.29 0.00 0.00 177.43 175.30 1mxl h GLU 19 N 0.00 0.68 -0.17 0.81 4.81 -0.77 -3.30 114.58 116.64 1mxl h GLU 19 Ca -0.00 -0.78 -0.18 0.00 -0.13 0.00 0.00 59.36 58.26 1mxl h GLU 19 Cb 1.01 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1mxl h GLU 19 CO 0.04 1.35 -0.63 0.27 -0.73 0.00 0.00 179.01 179.31 1mxl h PHE 20 N 0.35 0.79 -0.88 0.92 -5.15 -1.55 -3.25 116.94 108.17 1mxl h PHE 20 Ca -0.15 -0.31 0.15 0.00 -0.20 0.00 0.00 57.97 57.46 1mxl h PHE 20 Cb 1.76 -0.14 -0.15 0.00 0.22 0.00 0.00 35.95 37.64 1mxl h PHE 20 CO 0.11 1.08 -0.35 0.87 -2.00 0.00 0.00 178.31 178.02 1mxl h LYS 21 N 0.45 -0.04 -0.57 6.09 1.57 -1.58 -0.07 116.57 122.42 1mxl h LYS 21 Ca -0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1mxl h LYS 21 Cb 1.20 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.43 1mxl h LYS 21 CO 0.12 -0.03 -0.56 0.00 -0.57 0.00 0.00 179.45 178.41 1mxl h ALA 22 N 1.36 -0.71 -0.18 3.86 0.00 -1.69 -1.05 119.26 120.85 1mxl h ALA 22 Ca 0.33 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1mxl h ALA 22 Cb 0.60 1.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.51 1mxl h ALA 22 CO -0.90 -1.02 -0.43 0.00 0.00 0.00 0.00 179.25 176.89 1mxl h ALA 23 N 0.10 -0.59 -1.13 0.00 0.00 -1.19 0.19 119.26 116.63 1mxl h ALA 23 Ca 0.10 0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.39 1mxl h ALA 23 Cb 0.54 0.83 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1mxl h ALA 23 CO -0.69 -0.93 0.69 0.35 0.00 0.00 0.00 179.25 178.67 1mxl h PHE 24 N -0.47 0.73 -0.36 0.00 3.57 -0.64 0.66 116.94 120.43 1mxl h PHE 24 Ca 0.08 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.49 1mxl h PHE 24 Cb 0.62 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1mxl h PHE 24 CO -0.52 -0.22 -0.28 0.22 -2.23 0.00 0.00 178.31 175.28 1mxl h ASP 25 N 0.18 0.86 0.76 0.41 3.58 0.38 -2.83 116.42 119.75 1mxl h ASP 25 Ca 0.78 -0.45 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 1mxl h ASP 25 Cb 2.12 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 42.92 1mxl h ASP 25 CO -0.53 1.12 -0.08 0.40 -2.88 0.00 0.00 179.24 177.28 1mxl h ILE 26 N 0.60 0.24 0.00 2.25 5.03 0.10 0.21 117.51 125.94 1mxl h ILE 26 Ca 0.07 -0.60 -0.03 0.00 -0.12 0.00 0.00 64.86 64.17 1mxl h ILE 26 Cb 0.85 1.48 -0.00 0.00 -3.03 0.00 0.00 36.82 36.12 1mxl h ILE 26 CO 0.07 0.07 -0.21 -0.26 -0.68 0.00 0.00 178.15 177.15 1mxl h PHE 27 N 0.00 0.00 0.00 1.37 -1.00 -0.93 -3.32 116.94 113.07 1mxl h PHE 27 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mxl h PHE 27 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1mxl h PHE 27 CO 0.00 0.15 0.00 1.33 -1.61 0.00 0.00 178.31 178.18 1mxl n VAL 28 N -3.11 0.56 -0.28 -0.55 0.24 -0.97 -4.44 118.33 109.78 1mxl n VAL 28 Ca 0.03 -0.75 0.08 0.00 -2.04 0.00 0.00 64.34 61.67 1mxl n VAL 28 Cb 0.59 0.75 0.23 0.00 -1.47 0.00 0.00 33.84 33.94 1mxl n VAL 28 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1mxl h LEU 29 N 0.00 0.27 -2.93 1.34 6.46 -0.69 0.44 115.31 120.19 1mxl h LEU 29 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1mxl h LEU 29 Cb 0.34 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 1mxl h LEU 29 CO 0.00 0.05 0.00 0.61 -0.62 0.00 0.00 178.44 178.48 1mxl n GLY 30 N -1.34 2.56 3.94 3.75 0.00 -1.26 -4.94 105.19 107.91 1mxl n GLY 30 Ca 0.17 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.23 3.48 -0.26 4.61 0.00 0.15 -5.01 121.76 122.51 1mxl s ALA 31 Ca 0.44 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.36 1mxl s ALA 31 Cb 0.32 -2.38 -0.17 0.00 0.00 0.00 0.00 23.12 20.89 1mxl s ALA 31 CO 0.15 -0.96 -0.23 0.39 0.00 0.00 0.00 175.76 175.12 1mxl n GLU 32 N -2.60 0.65 0.00 0.00 1.02 -1.26 -4.48 120.64 113.97 1mxl n GLU 32 Ca 0.07 0.16 0.11 0.00 -0.02 0.00 0.00 57.16 57.48 1mxl n GLU 32 Cb 0.59 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.49 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 -3.34 1.99 0.00 1.62 2.03 -1.26 -4.94 116.55 112.65 1mxl n ASP 33 Ca -0.46 -1.50 0.00 0.00 0.52 0.00 0.00 54.79 53.35 1mxl n ASP 33 Cb 0.98 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mxl n GLY 34 N 1.39 0.73 1.86 0.27 0.00 -1.26 -5.08 105.19 103.10 1mxl n GLY 34 Ca 0.09 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.03 1.17 -0.33 0.00 1.01 -1.10 -4.41 121.20 116.51 1mxl s ILE 36 Ca 0.22 -1.87 0.03 0.00 0.00 0.00 0.00 60.65 59.02 1mxl s ILE 36 Cb -0.02 -1.86 0.47 0.00 0.01 0.00 0.00 42.46 41.07 1mxl s ILE 36 CO 0.14 -0.75 1.68 -0.24 0.00 0.00 0.00 174.94 175.77 1mxl n SER 37 N 4.35 3.73 0.00 3.58 2.88 -1.26 -3.21 113.62 123.69 1mxl n SER 37 Ca 0.02 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.39 1mxl n SER 37 Cb 0.39 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 -0.66 0.00 -0.41 2.46 -2.24 -1.26 -4.72 114.28 107.45 1mxl n THR 38 Ca 0.43 0.00 0.33 0.00 -2.27 0.00 0.00 64.05 62.54 1mxl n THR 38 Cb 1.31 0.00 0.61 0.00 -2.10 0.00 0.00 70.33 70.15 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 0.15 0.00 -0.78 1.63 -1.96 1.06 116.57 116.67 1mxl h LYS 39 Ca 0.00 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.65 1mxl h LYS 39 Cb 0.00 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1mxl h LYS 39 CO 0.00 0.10 -1.64 0.39 -3.45 0.00 0.00 179.45 174.85 1mxl n GLU 40 N -4.72 0.64 0.15 1.90 -0.58 -1.26 -4.29 120.64 112.48 1mxl n GLU 40 Ca 0.35 0.08 -0.06 0.00 -0.42 0.00 0.00 57.16 57.11 1mxl n GLU 40 Cb 1.29 -1.70 -0.03 0.00 -0.57 0.00 0.00 31.44 30.43 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 -0.33 -1.53 -4.62 5.85 0.89 -3.03 115.31 112.54 1mxl h LEU 41 Ca -0.17 0.01 0.47 0.00 0.84 0.00 0.00 57.88 59.04 1mxl h LEU 41 Cb 1.49 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.48 1mxl h LEU 41 CO 0.03 -0.18 0.97 1.23 -0.34 0.00 0.00 178.44 180.15 1mxl h GLY 42 N -0.51 1.05 1.33 3.75 0.00 -1.45 1.81 103.07 109.05 1mxl h GLY 42 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1mxl h GLY 42 CO 0.07 -0.34 0.41 1.70 0.00 0.00 0.00 176.54 178.37 1mxl h LYS 43 N 0.04 0.75 0.00 4.80 3.64 -1.71 -1.13 116.57 122.95 1mxl h LYS 43 Ca 0.86 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.19 1mxl h LYS 43 Cb 2.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 34.54 1mxl h LYS 43 CO -0.35 0.49 -0.46 0.28 -2.27 0.00 0.00 179.45 177.15 1mxl h VAL 44 N 0.77 0.00 -0.21 2.00 2.07 0.28 -3.32 116.25 117.83 1mxl h VAL 44 Ca 0.24 -0.87 -0.18 0.00 0.82 0.00 0.00 66.70 66.71 1mxl h VAL 44 Cb 0.01 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1mxl h VAL 44 CO -0.06 0.00 -0.59 0.24 0.02 0.00 0.00 177.57 177.18 1mxl h MET 45 N 0.00 0.69 0.00 1.57 2.86 -0.49 -2.58 114.93 116.98 1mxl h MET 45 Ca 0.00 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.12 1mxl h MET 45 Cb 0.93 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1mxl h MET 45 CO 0.00 1.08 -0.28 0.00 1.06 0.00 0.00 176.91 178.77 1mxl h ARG 46 N 0.52 0.00 0.00 1.72 2.47 -1.12 0.47 114.38 118.45 1mxl h ARG 46 Ca 0.00 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.58 1mxl h ARG 46 Cb 1.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 1mxl h ARG 46 CO 0.12 0.28 -0.74 0.52 0.56 0.00 0.00 179.97 180.71 1mxl h MET 47 N 0.00 0.00 -0.34 0.04 2.86 -1.64 -3.19 114.93 112.67 1mxl h MET 47 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1mxl h MET 47 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1mxl h MET 47 CO 0.04 0.61 0.00 1.28 1.06 0.00 0.00 176.91 179.89 1mxl n LEU 48 N -3.22 1.91 -0.09 1.22 4.77 -0.98 -4.87 117.00 115.73 1mxl n LEU 48 Ca 0.00 -0.93 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1mxl n LEU 48 Cb 0.80 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1mxl n LEU 48 CO 0.42 0.47 -0.01 0.61 -1.33 0.00 0.00 177.39 177.55 1mxl n GLY 49 N 1.09 0.36 2.02 -0.72 0.00 -1.14 -5.03 105.19 101.77 1mxl n GLY 49 Ca 0.13 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.59 0.37 0.00 1.61 6.02 0.16 -5.01 117.38 118.94 1mxl n GLN 50 Ca -0.01 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 54.88 1mxl n GLN 50 Cb 0.38 1.57 0.00 0.00 1.02 0.00 0.00 30.24 33.21 1mxl n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1mxl n ASN 51 N -2.07 0.00 -4.71 1.08 5.15 -1.26 -2.36 115.26 111.09 1mxl n ASN 51 Ca 0.03 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.59 1mxl n ASN 51 Cb 0.38 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.60 1mxl n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1mxl s PRO 52 N 0.00 4.41 1.13 1.20 0.04 -1.26 -5.00 135.00 135.52 1mxl s PRO 52 Ca 0.00 1.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 1mxl s PRO 52 Cb 0.00 -3.32 0.16 0.00 0.04 0.00 0.00 34.50 31.38 1mxl s PRO 52 CO 0.00 -0.30 0.23 0.25 0.04 0.00 0.00 177.00 177.22 1mxl n THR 53 N 3.91 0.00 0.02 1.26 -2.24 -1.26 -4.51 114.28 111.47 1mxl n THR 53 Ca 0.09 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1mxl n THR 53 Cb 0.45 -0.62 0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1mxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1mxl h PRO 54 N -2.47 0.52 0.00 -0.78 0.13 -2.00 -0.07 132.00 127.33 1mxl h PRO 54 Ca -0.43 -0.37 -0.14 0.00 -0.87 0.00 0.00 66.00 64.18 1mxl h PRO 54 Cb 1.17 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1mxl h PRO 54 CO 0.30 0.99 -0.65 0.93 -0.23 0.00 0.00 178.00 179.34 1mxl h GLU 55 N 0.38 0.00 0.10 0.86 5.08 -2.03 -3.22 114.58 115.75 1mxl h GLU 55 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.05 1mxl h GLU 55 Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1mxl h GLU 55 CO 0.12 0.65 -1.45 1.49 -1.00 0.00 0.00 179.01 178.82 1mxl h GLU 56 N 0.00 0.22 -0.10 2.33 4.81 -1.87 -3.37 114.58 116.60 1mxl h GLU 56 Ca -0.01 -0.37 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1mxl h GLU 56 Cb 1.22 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1mxl h GLU 56 CO 0.09 1.09 -0.11 -0.07 -0.73 0.00 0.00 179.01 179.27 1mxl h LEU 57 N 0.06 -0.38 -1.98 1.64 3.38 -1.01 0.51 115.31 117.54 1mxl h LEU 57 Ca -0.21 0.05 0.48 0.00 0.09 0.00 0.00 57.88 58.30 1mxl h LEU 57 Cb 1.99 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.83 1mxl h LEU 57 CO 0.16 -0.07 1.21 -0.61 0.09 0.00 0.00 178.44 179.22 1mxl h GLN 58 N -0.06 0.00 0.00 1.13 -0.00 -1.74 1.92 115.11 116.36 1mxl h GLN 58 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.56 1mxl h GLN 58 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.57 1mxl h GLN 58 CO -0.13 0.00 -0.50 0.93 0.00 0.00 0.00 178.83 179.13 1mxl h GLU 59 N 0.00 0.00 -0.09 1.69 3.07 -0.16 -2.52 114.58 116.58 1mxl h GLU 59 Ca 0.79 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.55 1mxl h GLU 59 Cb 3.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 31.11 1mxl h GLU 59 CO -0.01 0.50 -0.43 1.98 -1.40 0.00 0.00 179.01 179.66 1mxl h MET 60 N 0.00 0.20 0.01 2.33 1.85 0.38 -2.11 114.93 117.58 1mxl h MET 60 Ca -0.01 -0.10 -0.04 0.00 -0.61 0.00 0.00 59.70 58.95 1mxl h MET 60 Cb 1.02 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.05 1mxl h MET 60 CO 0.07 0.60 -0.16 0.82 -0.40 0.00 0.00 176.91 177.84 1mxl h ILE 61 N 0.17 1.62 -0.05 1.77 5.03 -1.38 -3.25 117.51 121.41 1mxl h ILE 61 Ca 0.01 -2.02 0.01 0.00 -0.12 0.00 0.00 64.86 62.75 1mxl h ILE 61 Cb 0.83 2.94 -0.00 0.00 -3.03 0.00 0.00 36.82 37.56 1mxl h ILE 61 CO 0.06 0.54 0.04 0.44 -0.68 0.00 0.00 178.15 178.55 1mxl h ASP 62 N -0.68 0.00 -0.87 1.72 5.19 -1.44 0.96 116.42 121.30 1mxl h ASP 62 Ca -0.02 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.43 1mxl h ASP 62 Cb 0.97 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.43 1mxl h ASP 62 CO 0.03 0.00 0.57 -0.33 -3.12 0.00 0.00 179.24 176.39 1mxl h GLU 63 N 0.00 1.04 -0.07 3.56 5.08 -1.41 -2.80 114.58 119.98 1mxl h GLU 63 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1mxl h GLU 63 Cb 0.10 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1mxl h GLU 63 CO -0.00 0.69 0.00 1.33 -1.00 0.00 0.00 179.01 180.03 1mxl n VAL 64 N -4.45 1.85 -4.03 3.13 0.24 -0.75 -5.01 118.33 109.31 1mxl n VAL 64 Ca 0.12 -1.99 -0.36 0.00 -2.04 0.00 0.00 64.34 60.06 1mxl n VAL 64 Cb 0.12 -0.13 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.38 6.05 -0.17 -1.34 2.15 0.26 -4.73 116.67 116.50 1mxl s ASP 65 Ca 0.30 0.37 0.14 0.00 0.43 0.00 0.00 52.55 53.79 1mxl s ASP 65 Cb 0.26 -1.89 0.38 0.00 -0.30 0.00 0.00 42.92 41.37 1mxl s ASP 65 CO 0.05 0.40 1.20 -1.84 -0.17 0.00 0.00 175.17 174.80 1mxl n GLU 66 N 1.99 1.39 0.00 4.34 0.28 -1.26 -4.64 120.64 122.74 1mxl n GLU 66 Ca -0.19 -3.01 0.00 0.00 -0.16 0.00 0.00 57.16 53.80 1mxl n GLU 66 Cb 0.55 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1mxl n ASP 67 N -1.09 0.75 0.00 -1.84 8.00 -1.26 -4.99 116.55 116.12 1mxl n ASP 67 Ca 0.17 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1mxl n ASP 67 Cb 0.70 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 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 0.86 0.18 0.25 0.44 0.00 -1.26 -4.81 105.19 100.85 1mxl n GLY 68 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 0.00 0.00 1.61 4.64 -1.96 -3.46 113.55 114.38 1mxl h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mxl h SER 69 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1mxl h SER 69 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1mxl n GLY 70 N 0.28 0.80 3.33 -0.77 0.00 -1.26 -5.03 105.19 102.54 1mxl n GLY 70 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.13 1.67 0.20 2.61 -4.23 -1.26 -4.70 115.64 106.79 1mxl s THR 71 Ca 0.00 -2.11 0.07 0.00 -1.18 0.00 0.00 61.69 58.47 1mxl s THR 71 Cb 0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 1mxl s THR 71 CO 0.00 -0.55 0.08 -0.69 -0.54 0.00 0.00 174.62 172.92 1mxl s VAL 72 N -2.77 4.07 0.31 2.29 1.01 -1.20 -4.86 120.40 119.25 1mxl s VAL 72 Ca 0.20 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1mxl s VAL 72 Cb -0.02 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1mxl s VAL 72 CO 0.06 -0.19 0.13 0.47 0.00 0.00 0.00 175.10 175.57 1mxl n ASP 73 N -0.48 0.94 0.01 3.32 8.00 -1.26 -2.70 116.55 124.38 1mxl n ASP 73 Ca -0.08 -2.68 0.04 0.00 0.71 0.00 0.00 54.79 52.77 1mxl n ASP 73 Cb 0.56 0.86 0.16 0.00 -0.02 0.00 0.00 41.12 42.68 1mxl n ASP 73 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1mxl n PHE 74 N -0.68 0.07 -0.08 1.24 7.35 -1.26 -1.43 117.46 122.68 1mxl n PHE 74 Ca -0.03 0.03 -0.23 0.00 -0.76 0.00 0.00 57.45 56.47 1mxl n PHE 74 Cb 0.47 -0.55 -0.12 0.00 0.35 0.00 0.00 39.48 39.63 1mxl n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1mxl n ASP 75 N -1.57 1.97 0.00 -2.13 9.92 -1.26 -4.40 116.55 119.09 1mxl n ASP 75 Ca 0.01 0.29 -0.17 0.00 -0.53 0.00 0.00 54.79 54.40 1mxl n ASP 75 Cb 0.07 -0.86 -0.07 0.00 -0.64 0.00 0.00 41.12 39.62 1mxl n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1mxl h GLU 76 N -0.58 0.71 -1.17 -1.24 5.08 -1.78 -3.20 114.58 112.41 1mxl h GLU 76 Ca -0.45 -0.63 0.39 0.00 -1.00 0.00 0.00 59.36 57.67 1mxl h GLU 76 Cb 1.63 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.89 1mxl h GLU 76 CO -0.14 1.24 0.72 0.35 -1.00 0.00 0.00 179.01 180.17 1mxl h PHE 77 N 0.47 0.68 -0.88 4.33 3.04 -1.45 1.07 116.94 124.20 1mxl h PHE 77 Ca -0.07 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.89 1mxl h PHE 77 Cb 1.48 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 39.77 1mxl h PHE 77 CO 0.08 -0.21 0.46 -0.07 -2.02 0.00 0.00 178.31 176.55 1mxl h LEU 78 N 0.16 1.11 -1.96 0.59 3.38 -1.76 -1.72 115.31 115.12 1mxl h LEU 78 Ca 0.78 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.73 1mxl h LEU 78 Cb 2.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.65 1mxl h LEU 78 CO -0.51 0.91 0.26 0.58 0.09 0.00 0.00 178.44 179.77 1mxl h VAL 79 N 1.23 0.84 -0.21 1.22 2.07 0.11 0.11 116.25 121.62 1mxl h VAL 79 Ca 0.31 -0.02 -0.19 0.00 0.82 0.00 0.00 66.70 67.62 1mxl h VAL 79 Cb 0.07 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1mxl h VAL 79 CO -0.04 0.01 -0.61 -0.03 0.02 0.00 0.00 177.57 176.91 1mxl h MET 80 N 0.05 0.72 0.00 1.57 -1.53 -1.20 -2.70 114.93 111.83 1mxl h MET 80 Ca 0.17 -0.49 -0.18 0.00 -3.44 0.00 0.00 59.70 55.76 1mxl h MET 80 Cb 0.62 0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.71 1mxl h MET 80 CO -0.01 1.12 -0.85 0.52 0.14 0.00 0.00 176.91 177.83 1mxl h MET 81 N 0.54 0.00 0.28 0.39 2.07 -1.05 -3.33 114.93 113.82 1mxl h MET 81 Ca -0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1mxl h MET 81 Cb 1.20 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.93 1mxl h MET 81 CO 0.12 0.85 -0.13 0.28 1.07 0.00 0.00 176.91 179.10 1mxl h VAL 82 N 0.00 0.73 -0.62 -2.22 2.07 -0.81 -2.81 116.25 112.60 1mxl h VAL 82 Ca -0.01 -0.67 0.18 0.00 0.82 0.00 0.00 66.70 67.02 1mxl h VAL 82 Cb 1.59 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1mxl h VAL 82 CO 0.11 0.13 0.78 0.03 0.02 0.00 0.00 177.57 178.64 1mxl h ARG 83 N -0.75 0.00 -0.73 1.57 3.08 -1.59 1.12 114.38 117.07 1mxl h ARG 83 Ca -0.04 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1mxl h ARG 83 Cb 0.50 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 1mxl h ARG 83 CO 0.06 0.00 0.22 0.00 -1.07 0.00 0.00 179.97 179.18 1mxl n MET 85 N 0.02 1.65 -1.61 0.00 2.81 0.39 -4.91 117.12 115.46 1mxl n MET 85 Ca 0.38 -1.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 1mxl n MET 85 Cb 1.34 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 1mxl n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mxl n LYS 86 N 0.95 -4.28 0.06 0.03 3.00 -1.26 -5.05 118.16 111.61 1mxl n LYS 86 Ca 0.24 3.12 0.00 0.00 -0.00 0.00 0.00 58.31 61.67 1mxl n LYS 86 Cb 0.58 -3.32 0.00 0.00 0.00 0.00 0.00 35.03 32.29 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1mxl n ASP 87 N 0.96 0.57 -3.88 3.14 9.92 -1.26 -5.11 116.55 120.90 1mxl n ASP 87 Ca 0.00 0.19 -0.11 0.00 -0.53 0.00 0.00 54.79 54.34 1mxl n ASP 87 Cb 0.00 -0.09 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 1mxl n ASP 87 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1mxl s ASP 88 N -5.48 0.02 0.00 -2.24 1.47 -1.26 -5.27 116.67 103.90 1mxl s ASP 88 Ca 0.00 -0.13 0.00 0.00 1.18 0.00 0.00 52.55 53.60 1mxl s ASP 88 Cb 0.00 0.21 0.00 0.00 -0.34 0.00 0.00 42.92 42.79 1mxl s ASP 88 CO 0.00 -0.28 0.00 -0.24 0.68 0.00 0.00 175.17 175.33