#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 3.95 -1.05 6.12 1.11 -1.26 -4.82 116.67 120.72 1mxl s ASP 2 Ca 0.00 -1.28 -0.07 0.00 0.18 0.00 0.00 52.55 51.37 1mxl s ASP 2 Cb 0.00 -0.41 -0.06 0.00 1.07 0.00 0.00 42.92 43.52 1mxl s ASP 2 CO 0.00 -0.41 0.90 -0.67 1.18 0.00 0.00 175.17 176.17 1mxl n ASP 3 N -0.98 -6.56 0.00 0.27 -0.08 -1.26 -4.93 116.55 103.01 1mxl n ASP 3 Ca -0.04 -0.72 0.00 0.00 -1.51 0.00 0.00 54.79 52.51 1mxl n ASP 3 Cb 0.66 -5.02 0.00 0.00 2.34 0.00 0.00 41.12 39.10 1mxl n ASP 3 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mxl n ILE 4 N -3.28 0.00 -0.00 5.18 3.06 -1.26 -4.75 119.36 118.31 1mxl n ILE 4 Ca -0.07 -0.40 -0.03 0.00 -2.50 0.00 0.00 62.75 59.75 1mxl n ILE 4 Cb 0.61 1.16 -0.01 0.00 0.54 0.00 0.00 39.64 41.94 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 1mxl n TYR 5 N -0.16 0.00 -0.37 9.51 4.01 -1.26 -4.40 117.16 124.49 1mxl n TYR 5 Ca 0.00 0.00 0.37 0.00 -0.16 0.00 0.00 57.90 58.11 1mxl n TYR 5 Cb 0.04 -0.14 0.66 0.00 -0.31 0.00 0.00 39.34 39.58 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 -0.28 0.00 0.03 -0.72 1.79 -2.00 0.28 116.57 115.66 1mxl h LYS 6 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1mxl h LYS 6 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1mxl h LYS 6 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 179.45 178.36 1mxl h ALA 7 N 0.94 -0.04 -0.64 3.86 0.00 -1.85 -3.02 119.26 118.52 1mxl h ALA 7 Ca 0.63 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1mxl h ALA 7 Cb 2.91 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.68 1mxl h ALA 7 CO -0.01 -0.18 0.42 0.00 0.00 0.00 0.00 179.25 179.49 1mxl h ALA 8 N 0.19 1.68 0.28 0.00 0.00 -0.67 -2.59 119.26 118.14 1mxl h ALA 8 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mxl h ALA 8 Cb 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1mxl h ALA 8 CO 0.01 0.25 -0.13 0.28 0.00 0.00 0.00 179.25 179.65 1mxl h VAL 9 N 0.73 0.74 -0.05 0.00 2.07 -1.41 -1.57 116.25 116.76 1mxl h VAL 9 Ca 0.26 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.70 1mxl h VAL 9 Cb 0.12 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1mxl h VAL 9 CO -0.07 0.02 0.26 -0.33 0.02 0.00 0.00 177.57 177.47 1mxl h GLU 10 N -0.42 0.00 0.00 1.57 5.08 -1.33 0.54 114.58 120.02 1mxl h GLU 10 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1mxl h GLU 10 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1mxl h GLU 10 CO 0.06 0.00 -0.18 1.04 -1.00 0.00 0.00 179.01 178.94 1mxl n GLN 11 N -3.09 0.11 -1.56 2.33 3.00 -0.61 -4.89 117.38 112.69 1mxl n GLN 11 Ca -0.01 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.65 1mxl n GLN 11 Cb 0.33 -1.61 0.03 0.00 0.00 0.00 0.00 30.24 28.99 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mxl n LEU 12 N -1.79 2.10 -4.84 1.08 4.77 0.19 -4.95 117.00 113.55 1mxl n LEU 12 Ca 0.06 0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 56.55 1mxl n LEU 12 Cb 0.38 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1mxl n LEU 12 CO 0.31 -2.15 0.07 0.42 -1.33 0.00 0.00 177.39 174.70 1mxl s THR 13 N -1.47 5.08 0.33 -5.08 -4.23 -1.26 -4.92 115.64 104.08 1mxl s THR 13 Ca 0.68 0.73 0.11 0.00 -1.18 0.00 0.00 61.69 62.03 1mxl s THR 13 Cb -0.50 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.01 1mxl s THR 13 CO 0.54 0.55 1.63 -0.08 -0.54 0.00 0.00 174.62 176.71 1mxl h GLU 14 N 4.62 0.17 -0.46 3.99 4.57 -1.99 0.71 114.58 126.19 1mxl h GLU 14 Ca -0.52 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.52 1mxl h GLU 14 Cb 1.22 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1mxl h GLU 14 CO 0.62 0.11 -0.24 0.93 -1.18 0.00 0.00 179.01 179.25 1mxl h GLU 15 N 0.18 0.97 -0.64 1.92 5.08 -2.01 -3.03 114.58 117.05 1mxl h GLU 15 Ca 0.70 -0.42 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1mxl h GLU 15 Cb 1.60 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1mxl h GLU 15 CO -0.70 1.09 0.12 0.37 -1.00 0.00 0.00 179.01 178.89 1mxl h GLN 16 N 0.83 1.03 -1.01 2.33 4.15 -0.05 -2.65 115.11 119.73 1mxl h GLN 16 Ca 0.10 -0.25 0.24 0.00 0.77 0.00 0.00 58.65 59.51 1mxl h GLN 16 Cb 0.82 -0.13 -0.11 0.00 0.21 0.00 0.00 27.48 28.27 1mxl h GLN 16 CO 0.07 0.93 0.63 0.87 -1.93 0.00 0.00 178.83 179.40 1mxl h LYS 17 N 0.97 0.52 0.00 1.69 1.57 -0.87 1.45 116.57 121.91 1mxl h LYS 17 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1mxl h LYS 17 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1mxl h LYS 17 CO 0.01 0.35 0.00 0.09 -0.57 0.00 0.00 179.45 179.32 1mxl n ASN 18 N -4.75 0.00 -0.09 0.86 3.02 -1.00 -3.34 115.26 109.96 1mxl n ASN 18 Ca 0.25 -0.56 -0.14 0.00 -0.03 0.00 0.00 54.58 54.10 1mxl n ASN 18 Cb 0.76 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.77 1mxl n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1mxl h GLU 19 N 0.00 0.00 -0.48 3.52 4.81 0.20 -3.34 114.58 119.29 1mxl h GLU 19 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1mxl h GLU 19 Cb 0.07 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1mxl h GLU 19 CO 0.00 0.59 0.21 0.27 -0.73 0.00 0.00 179.01 179.35 1mxl h PHE 20 N -1.00 0.66 0.00 0.92 -5.15 -1.60 -0.72 116.94 110.05 1mxl h PHE 20 Ca -0.19 -0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.56 1mxl h PHE 20 Cb 0.94 -0.21 0.00 0.00 0.22 0.00 0.00 35.95 36.90 1mxl h PHE 20 CO -0.01 0.50 0.00 1.57 -2.00 0.00 0.00 178.31 178.37 1mxl h LYS 21 N 0.67 0.00 0.02 6.09 5.09 -1.73 -2.75 116.57 123.96 1mxl h LYS 21 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.91 1mxl h LYS 21 Cb 0.10 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.43 1mxl h LYS 21 CO -0.02 0.00 -0.01 0.00 -2.09 0.00 0.00 179.45 177.33 1mxl h ALA 22 N 2.04 -0.03 -0.52 0.07 0.00 -1.24 -3.08 119.26 116.49 1mxl h ALA 22 Ca 0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.79 1mxl h ALA 22 Cb 0.14 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1mxl h ALA 22 CO 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 179.25 179.33 1mxl h ALA 23 N -0.57 0.60 -1.00 0.00 0.00 -1.51 -0.17 119.26 116.62 1mxl h ALA 23 Ca -0.00 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1mxl h ALA 23 Cb 0.43 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1mxl h ALA 23 CO 0.01 -0.29 0.63 0.35 0.00 0.00 0.00 179.25 179.94 1mxl h PHE 24 N 0.26 1.13 -0.43 0.00 3.57 -1.62 0.10 116.94 119.95 1mxl h PHE 24 Ca 0.26 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1mxl h PHE 24 Cb 0.35 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1mxl h PHE 24 CO -0.22 0.43 0.26 -0.44 -2.23 0.00 0.00 178.31 176.11 1mxl h ASP 25 N 0.97 0.44 0.88 0.41 3.32 -0.94 -1.56 116.42 119.93 1mxl h ASP 25 Ca 0.50 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.48 1mxl h ASP 25 Cb 0.54 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1mxl h ASP 25 CO -0.27 0.31 -0.34 0.40 -1.72 0.00 0.00 179.24 177.62 1mxl h ILE 26 N 0.53 0.80 0.52 0.35 5.03 -0.88 -1.92 117.51 121.95 1mxl h ILE 26 Ca 0.17 -1.42 -0.03 0.00 -0.12 0.00 0.00 64.86 63.46 1mxl h ILE 26 Cb -0.01 1.89 0.01 0.00 -3.03 0.00 0.00 36.82 35.68 1mxl h ILE 26 CO -0.07 0.33 -0.25 -0.26 -0.68 0.00 0.00 178.15 177.22 1mxl h PHE 27 N 0.00 -0.65 0.00 1.37 -1.00 0.15 -2.90 116.94 113.91 1mxl h PHE 27 Ca -0.00 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1mxl h PHE 27 Cb 0.87 0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.64 1mxl h PHE 27 CO 0.00 -0.40 0.00 1.33 -1.61 0.00 0.00 178.31 177.63 1mxl n VAL 28 N -4.13 0.03 -1.52 -0.55 0.24 -0.94 -3.76 118.33 107.69 1mxl n VAL 28 Ca -0.09 0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 61.93 1mxl n VAL 28 Cb 0.28 -0.59 -0.13 0.00 -1.47 0.00 0.00 33.84 31.93 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 -1.04 0.64 0.00 1.34 0.00 -0.72 0.21 117.00 117.42 1mxl n LEU 29 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 56.01 55.67 1mxl n LEU 29 Cb 0.11 -1.14 0.00 0.00 0.00 0.00 0.00 43.42 42.39 1mxl n LEU 29 CO 0.16 -1.52 0.00 0.61 0.00 0.00 0.00 177.39 176.64 1mxl n GLY 30 N 6.19 1.86 3.40 -3.96 0.00 -1.26 -5.03 105.19 106.39 1mxl n GLY 30 Ca 0.56 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.31 -3.09 -0.09 4.61 0.00 0.56 -4.96 120.51 117.22 1mxl n ALA 31 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.27 1mxl n ALA 31 Cb 0.00 -1.78 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 1mxl n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1mxl h GLU 32 N -2.06 0.00 0.00 0.00 5.08 -1.93 -3.44 114.58 112.23 1mxl h GLU 32 Ca -0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1mxl h GLU 32 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1mxl h GLU 32 CO 0.40 0.78 0.00 -3.47 -1.00 0.00 0.00 179.01 175.72 1mxl n ASP 33 N -4.52 0.00 0.00 1.42 2.03 -1.26 -5.02 116.55 109.20 1mxl n ASP 33 Ca -0.22 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1mxl n ASP 33 Cb 0.54 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.86 0.00 0.35 0.27 0.00 -1.26 -5.17 105.19 101.23 1mxl n GLY 34 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.67 1.97 -0.27 0.00 1.01 -1.09 -4.53 121.20 116.63 1mxl s ILE 36 Ca 0.02 -1.58 0.14 0.00 0.00 0.00 0.00 60.65 59.23 1mxl s ILE 36 Cb 0.00 -1.75 0.38 0.00 0.01 0.00 0.00 42.46 41.10 1mxl s ILE 36 CO 0.01 0.07 1.38 -0.24 0.00 0.00 0.00 174.94 176.16 1mxl n SER 37 N 1.17 -0.71 0.00 3.58 2.88 -1.26 -3.21 113.62 116.07 1mxl n SER 37 Ca -0.18 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1mxl n SER 37 Cb 0.53 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.36 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 -1.08 0.00 -0.25 2.46 -2.24 -1.26 -4.41 114.28 107.51 1mxl n THR 38 Ca -0.13 0.00 0.31 0.00 -2.27 0.00 0.00 64.05 61.96 1mxl n THR 38 Cb 0.85 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.02 0.01 -0.78 3.64 -1.97 2.23 116.57 119.73 1mxl h LYS 39 Ca 0.00 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 1mxl h LYS 39 Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1mxl h LYS 39 CO 0.00 0.02 -1.85 0.39 -2.27 0.00 0.00 179.45 175.74 1mxl n GLU 40 N -4.25 0.60 0.02 1.90 4.71 -1.26 -3.92 120.64 118.43 1mxl n GLU 40 Ca 0.22 0.41 -0.13 0.00 -0.01 0.00 0.00 57.16 57.65 1mxl n GLU 40 Cb 1.08 -1.64 -0.09 0.00 -1.01 0.00 0.00 31.44 29.77 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1mxl h LEU 41 N -0.84 -0.04 -0.99 -4.62 5.85 -1.39 -3.02 115.31 110.27 1mxl h LEU 41 Ca -0.49 -0.34 0.22 0.00 0.84 0.00 0.00 57.88 58.11 1mxl h LEU 41 Cb 1.52 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.44 1mxl h LEU 41 CO -0.25 0.32 0.58 1.23 -0.34 0.00 0.00 178.44 179.98 1mxl h GLY 42 N -0.40 1.83 -0.79 3.75 0.00 0.35 0.23 103.07 108.03 1mxl h GLY 42 Ca -0.00 -0.32 0.36 0.00 0.00 0.00 0.00 47.33 47.37 1mxl h GLY 42 CO 0.01 -0.17 1.05 1.70 0.00 0.00 0.00 176.54 179.12 1mxl h LYS 43 N 0.64 0.00 0.05 4.80 3.64 -1.60 1.03 116.57 125.13 1mxl h LYS 43 Ca 0.61 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.76 1mxl h LYS 43 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1mxl h LYS 43 CO -0.44 0.00 -1.07 0.28 -2.27 0.00 0.00 179.45 175.95 1mxl h VAL 44 N 0.00 1.57 0.17 2.00 2.07 -0.67 -3.35 116.25 118.04 1mxl h VAL 44 Ca 0.59 -3.07 0.01 0.00 0.82 0.00 0.00 66.70 65.05 1mxl h VAL 44 Cb 2.68 2.79 -0.04 0.00 -1.52 0.00 0.00 31.29 35.20 1mxl h VAL 44 CO -0.01 0.89 -0.51 0.24 0.02 0.00 0.00 177.57 178.20 1mxl h MET 45 N 0.06 -0.75 -1.15 1.57 2.86 0.10 0.03 114.93 117.66 1mxl h MET 45 Ca -0.07 0.05 0.32 0.00 -2.06 0.00 0.00 59.70 57.95 1mxl h MET 45 Cb 1.78 0.17 -0.07 0.00 0.06 0.00 0.00 31.60 33.55 1mxl h MET 45 CO 0.16 -0.50 0.80 0.07 1.06 0.00 0.00 176.91 178.50 1mxl h ARG 46 N -0.77 0.13 -0.03 1.72 0.11 -1.11 0.54 114.38 114.97 1mxl h ARG 46 Ca -0.01 -0.01 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1mxl h ARG 46 Cb 0.77 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.81 1mxl h ARG 46 CO -0.26 0.09 -0.80 0.52 0.10 0.00 0.00 179.97 179.62 1mxl h MET 47 N 0.13 0.28 0.00 0.08 2.86 -1.17 -2.96 114.93 114.16 1mxl h MET 47 Ca 0.59 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1mxl h MET 47 Cb 2.04 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.76 1mxl h MET 47 CO -0.12 0.94 -0.02 -0.07 1.06 0.00 0.00 176.91 178.70 1mxl h LEU 48 N 0.18 0.00 0.00 1.22 3.38 0.12 -3.45 115.31 116.76 1mxl h LEU 48 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1mxl h LEU 48 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1mxl h LEU 48 CO 0.13 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1mxl n GLY 49 N -0.03 1.23 3.06 0.83 0.00 -0.87 -5.11 105.19 104.30 1mxl n GLY 49 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.22 0.38 -0.36 1.61 1.11 -1.01 -4.99 119.66 116.19 1mxl s GLN 50 Ca 0.00 -0.35 -0.00 0.00 0.01 0.00 0.00 55.36 55.02 1mxl s GLN 50 Cb 0.00 0.16 0.13 0.00 -1.01 0.00 0.00 33.01 32.29 1mxl s GLN 50 CO 0.00 -0.08 0.19 0.54 0.01 0.00 0.00 175.29 175.95 1mxl s ASN 51 N -1.15 3.29 1.03 5.90 4.22 -1.26 -1.03 114.94 125.94 1mxl s ASN 51 Ca -0.12 -2.10 -0.02 0.00 -2.14 0.00 0.00 52.86 48.48 1mxl s ASN 51 Cb -0.07 -0.57 0.03 0.00 1.28 0.00 0.00 41.25 41.92 1mxl s ASN 51 CO 0.01 -0.33 0.11 -0.81 -2.04 0.00 0.00 177.10 174.04 1mxl n PRO 52 N 4.19 -1.23 -2.78 3.55 -0.04 -1.26 -5.02 135.00 132.42 1mxl n PRO 52 Ca 0.07 -0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.14 1mxl n PRO 52 Cb 0.38 -0.17 0.03 0.00 -0.04 0.00 0.00 33.50 33.70 1mxl n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1mxl s THR 53 N -1.20 3.10 -0.01 0.52 -4.23 -1.26 -4.99 115.64 107.58 1mxl s THR 53 Ca 0.07 -0.64 0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1mxl s THR 53 Cb -0.01 -3.15 0.24 0.00 1.34 0.00 0.00 72.50 70.92 1mxl s THR 53 CO 0.06 -0.10 1.75 1.55 -0.54 0.00 0.00 174.62 177.33 1mxl h PRO 54 N 0.21 0.00 0.27 3.99 0.13 -2.00 -3.04 132.00 131.57 1mxl h PRO 54 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1mxl h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1mxl h PRO 54 CO 0.53 0.21 -0.13 1.49 -0.23 0.00 0.00 178.00 179.87 1mxl h GLU 55 N 0.00 -0.36 0.00 0.86 4.81 -2.02 -3.06 114.58 114.82 1mxl h GLU 55 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mxl h GLU 55 Cb 0.87 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1mxl h GLU 55 CO 0.03 -0.02 0.00 0.93 -0.73 0.00 0.00 179.01 179.22 1mxl h GLU 56 N -0.93 0.00 0.07 1.92 4.39 -1.98 -2.80 114.58 115.25 1mxl h GLU 56 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1mxl h GLU 56 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1mxl h GLU 56 CO 0.06 0.00 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.81 1mxl h LEU 57 N 0.00 -0.08 -1.12 1.33 3.38 -1.46 -3.11 115.31 114.25 1mxl h LEU 57 Ca 0.00 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 57.78 1mxl h LEU 57 Cb 0.14 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 1mxl h LEU 57 CO 0.00 0.36 0.61 -0.61 0.09 0.00 0.00 178.44 178.89 1mxl h GLN 58 N -0.53 0.67 -0.64 1.13 -0.00 -1.39 -0.41 115.11 113.93 1mxl h GLN 58 Ca -0.01 -0.04 0.10 0.00 -0.00 0.00 0.00 58.65 58.70 1mxl h GLN 58 Cb 0.46 -0.15 -0.07 0.00 0.00 0.00 0.00 27.48 27.71 1mxl h GLN 58 CO 0.02 0.44 0.25 0.93 0.00 0.00 0.00 178.83 180.47 1mxl h GLU 59 N 0.69 0.43 -0.54 1.69 5.08 -1.59 0.63 114.58 120.97 1mxl h GLU 59 Ca 0.56 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.96 1mxl h GLU 59 Cb 0.97 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1mxl h GLU 59 CO -0.34 0.28 0.36 0.52 -1.00 0.00 0.00 179.01 178.84 1mxl h MET 60 N 0.44 0.42 0.04 2.33 2.86 -1.10 -1.33 114.93 118.59 1mxl h MET 60 Ca 0.32 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.70 1mxl h MET 60 Cb 0.40 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.97 1mxl h MET 60 CO -0.31 0.28 -1.03 0.82 1.06 0.00 0.00 176.91 177.74 1mxl h ILE 61 N 0.44 1.41 -0.11 -1.22 5.03 -0.89 -3.23 117.51 118.94 1mxl h ILE 61 Ca 0.24 -2.56 -0.09 0.00 -0.12 0.00 0.00 64.86 62.33 1mxl h ILE 61 Cb 0.37 2.54 -0.01 0.00 -3.03 0.00 0.00 36.82 36.69 1mxl h ILE 61 CO -0.06 0.76 -0.33 -0.78 -0.68 0.00 0.00 178.15 177.06 1mxl h ASP 62 N 0.21 0.21 0.09 1.72 1.82 -0.14 -2.01 116.42 118.31 1mxl h ASP 62 Ca -0.10 -0.07 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 1mxl h ASP 62 Cb 1.68 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.63 1mxl h ASP 62 CO 0.18 0.53 -0.05 -0.33 -1.61 0.00 0.00 179.24 177.96 1mxl h GLU 63 N 0.18 0.00 -0.05 0.28 5.08 -1.30 -2.40 114.58 116.36 1mxl h GLU 63 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1mxl h GLU 63 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1mxl h GLU 63 CO 0.05 0.05 -0.09 1.33 -1.00 0.00 0.00 179.01 179.35 1mxl n VAL 64 N -4.05 2.03 -3.07 3.13 0.24 -0.99 -4.97 118.33 110.65 1mxl n VAL 64 Ca -0.03 -2.41 -0.43 0.00 -2.04 0.00 0.00 64.34 59.43 1mxl n VAL 64 Cb 0.13 -0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.80 6.26 0.00 -1.34 -1.08 -0.79 -4.87 116.67 112.05 1mxl s ASP 65 Ca 0.35 -0.74 0.23 0.00 -0.52 0.00 0.00 52.55 51.88 1mxl s ASP 65 Cb 0.31 -2.33 0.55 0.00 -1.46 0.00 0.00 42.92 39.99 1mxl s ASP 65 CO 0.02 -0.97 1.48 1.21 0.52 0.00 0.00 175.17 177.43 1mxl n GLU 66 N 6.50 2.63 -0.10 4.34 2.13 -1.26 -4.23 120.64 130.66 1mxl n GLU 66 Ca -0.04 -2.51 0.00 0.00 0.66 0.00 0.00 57.16 55.28 1mxl n GLU 66 Cb 0.46 -1.55 0.01 0.00 0.27 0.00 0.00 31.44 30.63 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 1.60 0.32 -2.58 4.31 5.68 -1.26 -4.98 116.55 119.64 1mxl n ASP 67 Ca 0.22 -1.39 -0.15 0.00 -0.50 0.00 0.00 54.79 52.97 1mxl n ASP 67 Cb 0.62 -0.06 -0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.11 -0.50 0.18 6.12 0.00 -1.26 -4.80 105.19 104.82 1mxl n GLY 68 Ca 0.01 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.19 0.00 -0.02 1.61 4.64 -1.94 -3.47 113.55 114.19 1mxl h SER 69 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1mxl h SER 69 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1mxl h SER 69 CO 0.40 0.19 -0.01 0.61 -0.87 0.00 0.00 176.83 177.16 1mxl n GLY 70 N 1.15 0.47 3.21 -0.77 0.00 -1.26 -5.00 105.19 102.99 1mxl n GLY 70 Ca 0.03 -0.18 -0.12 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 -1.94 0.22 0.00 2.61 -4.23 -1.26 -4.75 115.64 106.29 1mxl s THR 71 Ca 0.00 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1mxl s THR 71 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1mxl s THR 71 CO 0.00 -0.19 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.95 1mxl s VAL 72 N -3.99 1.97 0.52 2.29 1.01 -1.20 -4.87 120.40 116.14 1mxl s VAL 72 Ca 0.33 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1mxl s VAL 72 Cb 0.07 -1.65 0.02 0.00 0.00 0.00 0.00 36.38 34.81 1mxl s VAL 72 CO 0.08 0.48 0.27 -1.81 0.00 0.00 0.00 175.10 174.13 1mxl s ASP 73 N -0.78 4.47 0.26 3.32 1.11 -1.26 -2.67 116.67 121.13 1mxl s ASP 73 Ca 0.10 -1.35 0.18 0.00 0.18 0.00 0.00 52.55 51.66 1mxl s ASP 73 Cb -0.10 0.36 0.96 0.00 1.07 0.00 0.00 42.92 45.22 1mxl s ASP 73 CO -0.00 -0.98 1.54 0.33 1.18 0.00 0.00 175.17 177.24 1mxl n PHE 74 N -1.57 0.60 -0.09 4.23 7.35 -1.26 -1.67 117.46 125.05 1mxl n PHE 74 Ca -0.07 0.31 -0.13 0.00 -0.76 0.00 0.00 57.45 56.81 1mxl n PHE 74 Cb 0.65 -1.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.42 1mxl n PHE 74 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1mxl h ASP 75 N 0.00 0.00 -0.92 -2.13 1.82 -2.02 -3.38 116.42 109.79 1mxl h ASP 75 Ca 0.00 -0.26 0.05 0.00 -0.39 0.00 0.00 57.03 56.43 1mxl h ASP 75 Cb 0.00 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 1mxl h ASP 75 CO 0.00 1.09 0.59 -0.33 -1.61 0.00 0.00 179.24 178.98 1mxl h GLU 76 N -1.00 1.07 -1.04 0.28 5.08 -1.84 -1.90 114.58 115.24 1mxl h GLU 76 Ca -0.16 -0.06 0.32 0.00 -1.00 0.00 0.00 59.36 58.45 1mxl h GLU 76 Cb 0.87 -0.24 -0.14 0.00 0.50 0.00 0.00 28.75 29.74 1mxl h GLU 76 CO -0.10 0.71 0.61 0.35 -1.00 0.00 0.00 179.01 179.58 1mxl h PHE 77 N 1.11 0.88 -0.44 4.33 3.04 -1.50 0.26 116.94 124.61 1mxl h PHE 77 Ca 0.39 0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.42 1mxl h PHE 77 Cb 0.10 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 38.33 1mxl h PHE 77 CO -0.02 -0.12 0.18 -0.07 -2.02 0.00 0.00 178.31 176.26 1mxl h LEU 78 N 0.34 0.22 -0.43 0.59 3.38 -1.51 -2.48 115.31 115.42 1mxl h LEU 78 Ca 0.72 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.69 1mxl h LEU 78 Cb 1.69 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 1mxl h LEU 78 CO -0.54 0.17 0.11 0.58 0.09 0.00 0.00 178.44 178.85 1mxl h VAL 79 N 0.37 1.23 -1.14 1.22 2.07 -0.62 -2.66 116.25 116.72 1mxl h VAL 79 Ca 0.20 -0.78 0.32 0.00 0.82 0.00 0.00 66.70 67.25 1mxl h VAL 79 Cb 0.16 0.92 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1mxl h VAL 79 CO -0.18 0.28 0.76 -0.03 0.02 0.00 0.00 177.57 178.42 1mxl h MET 80 N 0.56 0.23 -0.00 1.57 4.05 -0.95 1.61 114.93 122.00 1mxl h MET 80 Ca 0.14 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1mxl h MET 80 Cb 0.30 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1mxl h MET 80 CO -0.00 0.15 -0.03 -1.33 0.23 0.00 0.00 176.91 175.93 1mxl n MET 81 N -4.53 0.73 -0.03 0.39 2.00 -1.01 -3.39 117.12 111.29 1mxl n MET 81 Ca 0.28 -0.11 -0.22 0.00 0.00 0.00 0.00 57.70 57.65 1mxl n MET 81 Cb 1.08 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.67 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 -1.04 1.71 0.14 2.03 0.31 0.55 -3.06 118.33 118.96 1mxl n VAL 82 Ca 0.17 -0.48 -0.01 0.00 -0.01 0.00 0.00 64.34 64.01 1mxl n VAL 82 Cb 0.22 -1.82 0.23 0.00 -0.91 0.00 0.00 33.84 31.56 1mxl n VAL 82 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1mxl h ARG 83 N -0.23 0.08 0.00 5.55 3.08 -1.59 -2.91 114.38 118.37 1mxl h ARG 83 Ca -0.41 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.50 1mxl h ARG 83 Cb 1.83 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.87 1mxl h ARG 83 CO -0.00 0.56 -0.50 0.00 -1.07 0.00 0.00 179.97 178.96 1mxl n MET 85 N -3.20 -1.03 -2.14 0.00 1.56 -1.10 -4.82 117.12 106.40 1mxl n MET 85 Ca 0.02 -0.28 -0.40 0.00 -0.27 0.00 0.00 57.70 56.76 1mxl n MET 85 Cb 0.72 -0.49 0.03 0.00 2.15 0.00 0.00 33.22 35.63 1mxl n MET 85 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1mxl n LYS 86 N -1.61 3.61 -0.00 2.12 2.85 -1.26 -4.63 118.16 119.24 1mxl n LYS 86 Ca 0.03 -3.86 0.14 0.00 -1.05 0.00 0.00 58.31 53.57 1mxl n LYS 86 Cb 0.12 -2.33 0.78 0.00 -0.65 0.00 0.00 35.03 32.94 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1mxl n ASP 87 N -0.34 0.34 -4.88 -5.58 5.68 -1.26 -4.85 116.55 105.66 1mxl n ASP 87 Ca 0.52 -1.19 -0.29 0.00 -0.50 0.00 0.00 54.79 53.32 1mxl n ASP 87 Cb 0.25 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1mxl n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1mxl s ASP 88 N -1.91 6.27 0.00 -1.12 1.01 -1.26 -5.22 116.67 114.44 1mxl s ASP 88 Ca 0.42 1.21 0.00 0.00 0.71 0.00 0.00 52.55 54.89 1mxl s ASP 88 Cb 0.20 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1mxl s ASP 88 CO 0.33 -0.72 0.16 -0.24 0.21 0.00 0.00 175.17 174.91