#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 1.36 -1.30 6.12 9.92 -1.26 -4.66 116.55 126.73 1mxl n ASP 2 Ca 0.00 -0.53 -0.14 0.00 -0.53 0.00 0.00 54.79 53.59 1mxl n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mxl n ASP 3 N -0.87 -4.07 0.00 -2.24 -0.08 -1.26 -4.65 116.55 103.38 1mxl n ASP 3 Ca 0.00 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1mxl n ASP 3 Cb 0.00 -3.59 0.00 0.00 2.34 0.00 0.00 41.12 39.87 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1mxl n ILE 4 N -1.96 0.00 -0.03 5.18 5.41 -1.26 -4.82 119.36 121.88 1mxl n ILE 4 Ca -0.14 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.47 1mxl n ILE 4 Cb 0.49 -0.59 -0.10 0.00 -0.71 0.00 0.00 39.64 38.73 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mxl h TYR 5 N 0.00 0.30 -1.12 1.39 -1.99 -1.86 -3.11 116.97 110.59 1mxl h TYR 5 Ca 0.00 -0.13 0.32 0.00 2.00 0.00 0.00 58.73 60.92 1mxl h TYR 5 Cb 0.63 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 1mxl h TYR 5 CO 0.00 0.83 1.13 0.87 -0.00 0.00 0.00 178.16 180.99 1mxl h LYS 6 N -0.31 0.00 0.48 4.88 1.57 -1.96 -0.28 116.57 120.95 1mxl h LYS 6 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1mxl h LYS 6 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1mxl h LYS 6 CO 0.04 0.00 -0.23 0.00 -0.57 0.00 0.00 179.45 178.69 1mxl h ALA 7 N 0.79 -0.87 -0.72 3.86 0.00 -1.86 -2.51 119.26 117.94 1mxl h ALA 7 Ca 0.53 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.46 1mxl h ALA 7 Cb 2.79 0.25 -0.13 0.00 0.00 0.00 0.00 17.79 20.70 1mxl h ALA 7 CO -0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 179.25 178.39 1mxl h ALA 8 N -1.50 0.69 -0.01 0.00 0.00 -1.20 0.11 119.26 117.36 1mxl h ALA 8 Ca -0.07 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1mxl h ALA 8 Cb 0.49 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1mxl h ALA 8 CO 0.11 -0.42 -0.44 0.28 0.00 0.00 0.00 179.25 178.78 1mxl h VAL 9 N 0.08 0.12 0.00 0.00 2.07 -1.51 0.32 116.25 117.33 1mxl h VAL 9 Ca 0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.90 1mxl h VAL 9 Cb 0.65 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1mxl h VAL 9 CO -0.66 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 176.60 1mxl h GLU 10 N -0.59 0.00 -0.68 1.57 5.08 -0.73 -0.74 114.58 118.48 1mxl h GLU 10 Ca 0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1mxl h GLU 10 Cb 0.67 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1mxl h GLU 10 CO -0.33 0.00 0.09 1.04 -1.00 0.00 0.00 179.01 178.82 1mxl n GLN 11 N -2.74 4.14 -0.71 2.33 3.00 0.11 -4.96 117.38 118.55 1mxl n GLN 11 Ca -0.02 -2.82 -0.14 0.00 -0.01 0.00 0.00 57.00 54.02 1mxl n GLN 11 Cb 0.09 -2.17 0.11 0.00 0.00 0.00 0.00 30.24 28.26 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 0.32 0.00 0.00 1.08 4.77 -0.28 -4.99 117.00 117.89 1mxl n LEU 12 Ca 0.30 -0.62 -0.27 0.00 -0.03 0.00 0.00 56.01 55.39 1mxl n LEU 12 Cb 1.18 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 41.73 1mxl n LEU 12 CO 0.33 -1.22 -0.18 0.35 -1.33 0.00 0.00 177.39 175.35 1mxl n THR 13 N -3.20 0.00 -0.03 -5.08 -2.24 -1.26 -5.01 114.28 97.45 1mxl n THR 13 Ca 0.07 -2.33 -0.12 0.00 -2.27 0.00 0.00 64.05 59.41 1mxl n THR 13 Cb 0.27 0.74 0.02 0.00 -2.10 0.00 0.00 70.33 69.26 1mxl n THR 13 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1mxl h GLU 14 N 0.00 0.70 0.00 -0.78 4.11 -2.00 -2.92 114.58 113.68 1mxl h GLU 14 Ca -0.34 -0.43 -0.12 0.00 0.07 0.00 0.00 59.36 58.54 1mxl h GLU 14 Cb 1.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1mxl h GLU 14 CO 0.54 1.06 -0.58 0.93 0.07 0.00 0.00 179.01 181.02 1mxl h GLU 15 N 0.54 0.00 0.24 1.06 5.08 -1.99 -2.95 114.58 116.56 1mxl h GLU 15 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1mxl h GLU 15 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1mxl h GLU 15 CO 0.11 0.58 -0.12 0.37 -1.00 0.00 0.00 179.01 178.96 1mxl h GLN 16 N 0.00 -0.32 -0.95 2.33 4.15 -1.94 -3.05 115.11 115.34 1mxl h GLN 16 Ca -0.01 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.59 1mxl h GLN 16 Cb 1.36 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 29.02 1mxl h GLN 16 CO 0.08 -0.21 0.55 -0.22 -1.93 0.00 0.00 178.83 177.10 1mxl h LYS 17 N -0.56 0.76 -0.99 1.69 3.11 -1.67 0.24 116.57 119.15 1mxl h LYS 17 Ca -0.03 -0.05 0.26 0.00 -2.81 0.00 0.00 60.65 58.02 1mxl h LYS 17 Cb 0.25 -0.17 -0.07 0.00 -1.00 0.00 0.00 32.23 31.24 1mxl h LYS 17 CO 0.06 0.50 0.67 -0.91 -2.81 0.00 0.00 179.45 176.95 1mxl h ASN 18 N 0.78 0.31 -0.02 4.20 2.35 -1.56 0.16 115.58 121.80 1mxl h ASN 18 Ca 0.51 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 56.29 1mxl h ASN 18 Cb 0.69 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1mxl h ASN 18 CO -0.34 0.09 -0.08 -0.08 -1.65 0.00 0.00 177.43 175.37 1mxl h GLU 19 N 0.29 0.08 -0.98 0.81 4.57 -0.41 -3.26 114.58 115.68 1mxl h GLU 19 Ca 0.53 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.65 1mxl h GLU 19 Cb 1.53 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.08 1mxl h GLU 19 CO -0.18 0.73 0.64 0.74 -1.18 0.00 0.00 179.01 179.77 1mxl h PHE 20 N -0.55 1.23 -0.81 0.92 0.04 -0.86 -2.74 116.94 114.17 1mxl h PHE 20 Ca -0.01 0.03 0.15 0.00 2.80 0.00 0.00 57.97 60.94 1mxl h PHE 20 Cb 0.75 -0.42 -0.15 0.00 2.20 0.00 0.00 35.95 38.33 1mxl h PHE 20 CO 0.16 0.78 -0.28 0.87 -0.60 0.00 0.00 178.31 179.24 1mxl h LYS 21 N 1.33 -0.04 -0.05 1.51 1.79 -0.81 0.11 116.57 120.40 1mxl h LYS 21 Ca 0.36 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1mxl h LYS 21 Cb -0.15 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 1mxl h LYS 21 CO -0.08 -0.02 -0.25 0.00 -1.08 0.00 0.00 179.45 178.02 1mxl h ALA 22 N 1.55 -0.66 -0.05 3.86 0.00 -1.58 0.66 119.26 123.04 1mxl h ALA 22 Ca 0.35 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1mxl h ALA 22 Cb 0.60 0.76 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1mxl h ALA 22 CO -0.85 -0.74 -0.49 0.00 0.00 0.00 0.00 179.25 177.17 1mxl h ALA 23 N -0.94 -0.80 -1.53 0.00 0.00 -1.35 0.31 119.26 114.96 1mxl h ALA 23 Ca 0.01 -0.06 0.44 0.00 0.00 0.00 0.00 54.91 55.31 1mxl h ALA 23 Cb 0.31 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1mxl h ALA 23 CO -0.19 -1.04 1.09 0.35 0.00 0.00 0.00 179.25 179.47 1mxl h PHE 24 N -0.60 0.04 0.23 0.00 3.57 -0.45 0.47 116.94 120.20 1mxl h PHE 24 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1mxl h PHE 24 Cb 0.69 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1mxl h PHE 24 CO -0.50 -0.01 -0.11 0.22 -2.23 0.00 0.00 178.31 175.68 1mxl h ASP 25 N 0.01 -0.26 -0.28 0.41 3.58 0.20 -3.18 116.42 116.91 1mxl h ASP 25 Ca 0.74 0.01 0.08 0.00 0.42 0.00 0.00 57.03 58.28 1mxl h ASP 25 Cb 2.91 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 44.01 1mxl h ASP 25 CO -0.03 -0.02 0.40 0.40 -2.88 0.00 0.00 179.24 177.11 1mxl h ILE 26 N -0.63 0.27 0.00 2.25 5.03 -0.70 0.42 117.51 124.16 1mxl h ILE 26 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1mxl h ILE 26 Cb 0.23 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1mxl h ILE 26 CO 0.05 0.00 0.00 0.49 -0.68 0.00 0.00 178.15 178.01 1mxl n PHE 27 N -3.48 0.00 -1.43 1.37 3.01 0.04 -3.30 117.46 113.67 1mxl n PHE 27 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1mxl n PHE 27 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1mxl n PHE 27 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1mxl n VAL 28 N -0.99 0.00 -0.11 -4.37 0.24 0.14 -4.31 118.33 108.93 1mxl n VAL 28 Ca 0.17 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.41 1mxl n VAL 28 Cb 0.08 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 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 -0.85 -1.21 1.34 6.46 -1.41 0.30 115.31 119.94 1mxl h LEU 29 Ca 0.00 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1mxl h LEU 29 Cb 1.08 0.43 0.00 0.00 -0.73 0.00 0.00 40.66 41.44 1mxl h LEU 29 CO 0.00 -0.27 0.00 1.23 -0.62 0.00 0.00 178.44 178.78 1mxl h GLY 30 N -0.19 0.00 -4.09 3.75 0.00 -1.90 -3.43 103.07 97.21 1mxl h GLY 30 Ca 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.00 1mxl h GLY 30 CO -0.50 0.00 0.43 0.00 0.00 0.00 0.00 176.54 176.46 1mxl s ALA 31 N -3.57 3.32 -1.25 3.60 0.00 0.10 -4.93 121.76 119.03 1mxl s ALA 31 Ca 0.02 0.71 0.22 0.00 0.00 0.00 0.00 51.96 52.92 1mxl s ALA 31 Cb 0.09 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.90 1mxl s ALA 31 CO 0.54 -0.12 1.08 -1.91 0.00 0.00 0.00 175.76 175.34 1mxl n GLU 32 N 2.56 0.29 -0.13 0.00 2.13 -1.26 -4.44 120.64 119.79 1mxl n GLU 32 Ca 0.03 -0.23 -0.25 0.00 0.66 0.00 0.00 57.16 57.37 1mxl n GLU 32 Cb 0.47 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.59 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 -1.15 1.94 0.00 4.31 2.03 -1.26 -5.04 116.55 117.37 1mxl n ASP 33 Ca 0.06 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1mxl n ASP 33 Cb 0.36 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 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 1.68 0.73 3.23 0.27 0.00 -1.26 -5.16 105.19 104.68 1mxl n GLY 34 Ca -0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.05 2.51 -0.16 0.00 1.01 -0.72 -4.55 121.20 115.23 1mxl s ILE 36 Ca 0.38 -2.35 0.08 0.00 0.00 0.00 0.00 60.65 58.77 1mxl s ILE 36 Cb 0.06 -2.31 0.22 0.00 0.01 0.00 0.00 42.46 40.44 1mxl s ILE 36 CO 0.14 -0.37 1.26 -1.20 0.00 0.00 0.00 174.94 174.77 1mxl n SER 37 N -0.54 -1.04 0.00 3.58 7.64 -1.26 -2.88 113.62 119.12 1mxl n SER 37 Ca -0.06 -2.10 0.00 0.00 1.01 0.00 0.00 58.87 57.72 1mxl n SER 37 Cb 0.60 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 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 -0.71 0.00 -0.25 0.44 -2.24 -1.26 -4.59 114.28 105.67 1mxl n THR 38 Ca -0.21 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1mxl n THR 38 Cb 0.80 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.18 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 0.12 0.00 -0.78 3.64 -1.97 2.21 116.57 119.79 1mxl h LYS 39 Ca 0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 1mxl h LYS 39 Cb 0.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1mxl h LYS 39 CO 0.00 0.08 -1.20 0.93 -2.27 0.00 0.00 179.45 176.99 1mxl h GLU 40 N 0.12 0.00 0.01 1.90 4.39 -1.82 -3.22 114.58 115.96 1mxl h GLU 40 Ca 0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1mxl h GLU 40 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1mxl h GLU 40 CO -0.63 0.50 -0.00 1.25 -1.16 0.00 0.00 179.01 178.97 1mxl h LEU 41 N 0.00 -0.01 -1.18 1.33 5.85 -1.00 -3.34 115.31 116.96 1mxl h LEU 41 Ca -0.13 0.00 0.31 0.00 0.84 0.00 0.00 57.88 58.91 1mxl h LEU 41 Cb 1.66 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.57 1mxl h LEU 41 CO 0.07 0.21 0.66 1.23 -0.34 0.00 0.00 178.44 180.26 1mxl h GLY 42 N -0.44 1.65 -0.07 3.75 0.00 0.33 0.69 103.07 108.98 1mxl h GLY 42 Ca -0.00 -0.22 0.25 0.00 0.00 0.00 0.00 47.33 47.36 1mxl h GLY 42 CO 0.00 -0.33 0.79 0.50 0.00 0.00 0.00 176.54 177.51 1mxl h LYS 43 N 0.35 0.00 0.00 4.80 1.79 -1.56 0.89 116.57 122.83 1mxl h LYS 43 Ca 0.69 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.97 1mxl h LYS 43 Cb 1.71 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.34 1mxl h LYS 43 CO -0.46 0.00 -0.91 0.28 -1.08 0.00 0.00 179.45 177.29 1mxl h VAL 44 N 0.00 1.58 -0.44 0.50 2.07 0.25 -3.23 116.25 116.97 1mxl h VAL 44 Ca 0.41 -3.19 0.11 0.00 0.82 0.00 0.00 66.70 64.85 1mxl h VAL 44 Cb 1.99 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 34.50 1mxl h VAL 44 CO -0.00 0.89 0.31 0.24 0.02 0.00 0.00 177.57 179.03 1mxl h MET 45 N 0.00 0.10 -0.45 1.57 2.86 0.76 -0.43 114.93 119.33 1mxl h MET 45 Ca -0.01 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1mxl h MET 45 Cb 1.68 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1mxl h MET 45 CO 0.12 0.07 -0.26 0.00 1.06 0.00 0.00 176.91 177.89 1mxl h ARG 46 N 0.10 0.96 -0.18 1.72 2.47 -1.56 -0.23 114.38 117.66 1mxl h ARG 46 Ca 0.21 -0.44 -0.15 0.00 -1.26 0.00 0.00 59.98 58.34 1mxl h ARG 46 Cb 0.70 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1mxl h ARG 46 CO -0.02 1.10 -0.51 0.52 0.56 0.00 0.00 179.97 181.62 1mxl h MET 47 N 0.82 0.51 0.00 0.04 2.86 -1.26 -2.66 114.93 115.25 1mxl h MET 47 Ca 0.10 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1mxl h MET 47 Cb 0.84 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1mxl h MET 47 CO 0.07 0.90 0.00 -0.07 1.06 0.00 0.00 176.91 178.88 1mxl h LEU 48 N 0.40 0.00 0.00 1.22 3.38 -1.20 -3.45 115.31 115.66 1mxl h LEU 48 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1mxl h LEU 48 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1mxl h LEU 48 CO 0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1mxl n GLY 49 N -0.38 1.45 3.19 0.83 0.00 -1.00 -5.09 105.19 104.19 1mxl n GLY 49 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.63 1.08 -0.39 1.61 -0.21 -0.12 -5.03 119.66 114.97 1mxl s GLN 50 Ca 0.00 -1.52 0.05 0.00 0.02 0.00 0.00 55.36 53.90 1mxl s GLN 50 Cb 0.00 0.26 0.16 0.00 1.00 0.00 0.00 33.01 34.44 1mxl s GLN 50 CO 0.00 -0.33 0.47 -0.80 -2.12 0.00 0.00 175.29 172.50 1mxl s ASN 51 N -3.10 0.19 0.09 5.90 -0.87 -1.26 -3.25 114.94 112.64 1mxl s ASN 51 Ca 0.31 -1.32 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 1mxl s ASN 51 Cb 0.07 1.06 0.00 0.00 -0.02 0.00 0.00 41.25 42.36 1mxl s ASN 51 CO 0.07 -0.22 0.00 -0.81 -2.57 0.00 0.00 177.10 173.57 1mxl n PRO 52 N 4.27 0.85 -4.30 -0.60 -0.04 -1.26 -5.07 135.00 128.85 1mxl n PRO 52 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 1mxl n PRO 52 Cb 0.49 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.09 3.33 -0.12 0.52 -4.23 -1.26 -5.00 115.64 108.78 1mxl s THR 53 Ca 0.00 -1.81 0.30 0.00 -1.18 0.00 0.00 61.69 59.00 1mxl s THR 53 Cb 0.00 -2.72 0.35 0.00 1.34 0.00 0.00 72.50 71.47 1mxl s THR 53 CO 0.00 -0.26 1.88 1.55 -0.54 0.00 0.00 174.62 177.25 1mxl h PRO 54 N 2.33 0.00 0.09 3.99 0.13 -2.00 -1.83 132.00 134.71 1mxl h PRO 54 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1mxl h PRO 54 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1mxl h PRO 54 CO 0.58 0.00 -1.14 1.49 -0.23 0.00 0.00 178.00 178.70 1mxl h GLU 55 N 0.00 0.40 0.10 0.86 4.81 -2.02 -3.27 114.58 115.45 1mxl h GLU 55 Ca 0.00 -0.54 -0.26 0.00 -0.13 0.00 0.00 59.36 58.43 1mxl h GLU 55 Cb 0.52 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1mxl h GLU 55 CO 0.00 1.21 -1.22 0.93 -0.73 0.00 0.00 179.01 179.20 1mxl h GLU 56 N 0.17 0.20 0.05 1.92 5.08 -1.92 -3.28 114.58 116.80 1mxl h GLU 56 Ca -0.13 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1mxl h GLU 56 Cb 1.82 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.16 1mxl h GLU 56 CO 0.20 1.15 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.82 1mxl h LEU 57 N 0.06 -1.42 -1.79 1.33 3.38 -1.41 0.34 115.31 115.81 1mxl h LEU 57 Ca -0.12 0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.27 1mxl h LEU 57 Cb 1.93 0.53 -0.05 0.00 0.09 0.00 0.00 40.66 43.16 1mxl h LEU 57 CO 0.18 -0.47 0.67 -0.61 0.09 0.00 0.00 178.44 178.30 1mxl h GLN 58 N -0.62 0.15 -0.14 1.13 -0.00 -1.69 0.75 115.11 114.68 1mxl h GLN 58 Ca 0.00 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.52 1mxl h GLN 58 Cb 0.65 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.08 1mxl h GLN 58 CO -0.28 0.10 -0.45 1.49 0.00 0.00 0.00 178.83 179.68 1mxl h GLU 59 N 0.15 0.35 -0.21 1.69 4.81 -0.53 -2.15 114.58 118.69 1mxl h GLU 59 Ca 0.49 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 1mxl h GLU 59 Cb 1.65 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1mxl h GLU 59 CO -0.09 0.74 -0.16 0.52 -0.73 0.00 0.00 179.01 179.29 1mxl h MET 60 N 0.29 0.36 0.04 1.92 2.86 0.34 -1.93 114.93 118.80 1mxl h MET 60 Ca 0.02 -0.10 -0.23 0.00 -2.06 0.00 0.00 59.70 57.33 1mxl h MET 60 Cb 0.91 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 1mxl h MET 60 CO 0.08 0.51 -1.01 0.82 1.06 0.00 0.00 176.91 178.37 1mxl h ILE 61 N 0.33 1.47 0.00 -1.22 5.03 -1.17 -3.22 117.51 118.74 1mxl h ILE 61 Ca 0.06 -2.72 -0.10 0.00 -0.12 0.00 0.00 64.86 61.99 1mxl h ILE 61 Cb 0.48 2.60 -0.01 0.00 -3.03 0.00 0.00 36.82 36.85 1mxl h ILE 61 CO 0.03 0.80 -0.48 -0.78 -0.68 0.00 0.00 178.15 177.04 1mxl h ASP 62 N 0.14 0.00 -0.91 1.72 1.82 -1.04 -2.28 116.42 115.87 1mxl h ASP 62 Ca -0.08 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1mxl h ASP 62 Cb 1.67 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.64 1mxl h ASP 62 CO 0.16 0.48 0.55 -0.08 -1.61 0.00 0.00 179.24 178.74 1mxl h GLU 63 N 0.00 1.24 -0.41 0.28 4.81 -1.37 -2.64 114.58 116.48 1mxl h GLU 63 Ca -0.00 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 1mxl h GLU 63 Cb 0.86 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1mxl h GLU 63 CO 0.06 0.86 0.06 1.33 -0.73 0.00 0.00 179.01 180.59 1mxl n VAL 64 N -4.36 2.54 -4.21 0.32 0.24 -1.16 -4.95 118.33 106.76 1mxl n VAL 64 Ca 0.10 -2.13 -0.34 0.00 -2.04 0.00 0.00 64.34 59.93 1mxl n VAL 64 Cb 0.06 -0.31 -0.13 0.00 -1.47 0.00 0.00 33.84 31.99 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 -1.94 4.44 -0.11 -1.34 -1.08 -0.87 -4.62 116.67 111.15 1mxl s ASP 65 Ca 0.46 -0.29 0.15 0.00 -0.52 0.00 0.00 52.55 52.35 1mxl s ASP 65 Cb 0.39 -1.74 0.34 0.00 -1.46 0.00 0.00 42.92 40.45 1mxl s ASP 65 CO 0.07 0.07 1.16 -1.84 0.52 0.00 0.00 175.17 175.15 1mxl n GLU 66 N 4.19 0.93 0.00 4.34 0.28 -1.26 -4.67 120.64 124.44 1mxl n GLU 66 Ca -0.18 -2.52 0.00 0.00 -0.16 0.00 0.00 57.16 54.30 1mxl n GLU 66 Cb 0.52 -1.06 0.00 0.00 1.43 0.00 0.00 31.44 32.33 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1mxl n ASP 67 N -0.66 0.99 -3.88 -1.84 5.75 -1.26 -5.01 116.55 110.63 1mxl n ASP 67 Ca 0.13 -1.39 -0.28 0.00 -0.01 0.00 0.00 54.79 53.24 1mxl n ASP 67 Cb 0.79 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 -0.20 -0.43 0.08 6.12 0.00 -1.26 -4.88 105.19 104.62 1mxl n GLY 68 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.88 2.29 0.00 1.61 3.41 -1.26 -5.01 113.62 111.78 1mxl n SER 69 Ca -0.25 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1mxl n SER 69 Cb 0.66 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 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 2.49 2.17 3.61 5.00 0.00 -1.26 -5.05 105.19 112.15 1mxl n GLY 70 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.55 1.97 -0.02 2.61 -4.23 -1.26 -4.77 115.64 107.39 1mxl s THR 71 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.57 1mxl s THR 71 Cb 0.00 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 1mxl s THR 71 CO 0.00 -0.01 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.12 1mxl s VAL 72 N -2.73 2.10 0.49 2.29 1.01 -1.14 -4.82 120.40 117.60 1mxl s VAL 72 Ca 0.35 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1mxl s VAL 72 Cb 0.09 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1mxl s VAL 72 CO 0.18 0.58 0.05 1.51 0.00 0.00 0.00 175.10 177.42 1mxl s ASP 73 N -0.59 4.15 0.62 3.32 1.47 -1.26 -1.75 116.67 122.62 1mxl s ASP 73 Ca 0.09 -1.54 0.24 0.00 1.18 0.00 0.00 52.55 52.52 1mxl s ASP 73 Cb -0.10 0.31 1.03 0.00 -0.34 0.00 0.00 42.92 43.82 1mxl s ASP 73 CO -0.01 -0.79 1.50 0.15 0.68 0.00 0.00 175.17 176.70 1mxl h PHE 74 N 1.37 0.00 0.08 2.11 3.57 -1.97 0.11 116.94 122.21 1mxl h PHE 74 Ca -0.43 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 1mxl h PHE 74 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1mxl h PHE 74 CO 1.30 0.00 -0.04 0.22 -2.23 0.00 0.00 178.31 177.56 1mxl h ASP 75 N 0.00 -0.09 0.11 0.41 3.58 -1.99 -3.04 116.42 115.40 1mxl h ASP 75 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1mxl h ASP 75 Cb 2.02 0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.10 1mxl h ASP 75 CO -0.00 0.22 0.00 -0.33 -2.88 0.00 0.00 179.24 176.24 1mxl h GLU 76 N -0.67 0.00 0.07 0.28 5.08 -1.51 -3.15 114.58 114.67 1mxl h GLU 76 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mxl h GLU 76 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mxl h GLU 76 CO 0.02 0.00 -0.03 0.35 -1.00 0.00 0.00 179.01 178.35 1mxl h PHE 77 N 0.00 -0.08 -1.79 4.33 3.57 -0.92 -3.03 116.94 119.01 1mxl h PHE 77 Ca 0.00 -0.00 0.53 0.00 3.53 0.00 0.00 57.97 62.03 1mxl h PHE 77 Cb 0.05 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 1mxl h PHE 77 CO 0.00 -0.05 1.27 -0.07 -2.23 0.00 0.00 178.31 177.23 1mxl h LEU 78 N -0.22 0.05 -0.22 0.59 3.38 -1.49 0.75 115.31 118.14 1mxl h LEU 78 Ca -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1mxl h LEU 78 Cb 0.07 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1mxl h LEU 78 CO 0.02 -0.05 -0.17 0.58 0.09 0.00 0.00 178.44 178.90 1mxl h VAL 79 N 0.01 1.32 -0.96 1.22 2.07 -1.58 -3.01 116.25 115.31 1mxl h VAL 79 Ca 0.90 -1.30 0.20 0.00 0.82 0.00 0.00 66.70 67.32 1mxl h VAL 79 Cb 3.46 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 34.82 1mxl h VAL 79 CO -0.11 0.40 0.62 -0.03 0.02 0.00 0.00 177.57 178.47 1mxl h MET 80 N 0.20 0.54 -0.04 1.57 4.05 0.65 0.13 114.93 122.03 1mxl h MET 80 Ca 0.04 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.29 1mxl h MET 80 Cb 0.70 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1mxl h MET 80 CO 0.05 0.35 -0.62 0.52 0.23 0.00 0.00 176.91 177.44 1mxl h MET 81 N 0.55 0.16 -0.15 0.39 2.07 -1.47 -3.11 114.93 113.37 1mxl h MET 81 Ca 0.53 -0.11 -0.13 0.00 -2.07 0.00 0.00 59.70 57.91 1mxl h MET 81 Cb 1.10 0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.84 1mxl h MET 81 CO -0.27 0.73 -0.46 0.28 1.07 0.00 0.00 176.91 178.26 1mxl h VAL 82 N 0.12 1.32 -0.62 -2.22 2.07 -0.64 -1.13 116.25 115.16 1mxl h VAL 82 Ca -0.01 -1.66 0.10 0.00 0.82 0.00 0.00 66.70 65.96 1mxl h VAL 82 Cb 1.12 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1mxl h VAL 82 CO 0.09 0.50 0.41 0.03 0.02 0.00 0.00 177.57 178.63 1mxl h ARG 83 N 0.30 0.40 -0.03 1.57 3.08 -1.32 -1.82 114.38 116.56 1mxl h ARG 83 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mxl h ARG 83 Cb 0.93 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1mxl h ARG 83 CO 0.08 0.26 0.00 0.00 -1.07 0.00 0.00 179.97 179.24 1mxl n MET 85 N 0.77 1.89 0.00 0.00 2.81 -0.44 -4.51 117.12 117.64 1mxl n MET 85 Ca 0.08 -2.45 0.00 0.00 -1.81 0.00 0.00 57.70 53.52 1mxl n MET 85 Cb 0.35 -3.48 0.00 0.00 -0.71 0.00 0.00 33.22 29.38 1mxl n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1mxl n LYS 86 N 7.87 0.00 -0.18 0.03 5.02 -1.26 -4.99 118.16 124.65 1mxl n LYS 86 Ca 0.47 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1mxl n LYS 86 Cb 0.45 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 1mxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1mxl n ASP 87 N -2.21 1.14 -3.10 4.39 2.03 -1.26 -4.99 116.55 112.55 1mxl n ASP 87 Ca 0.00 -0.09 -0.01 0.00 0.52 0.00 0.00 54.79 55.21 1mxl n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1mxl n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mxl n ASP 88 N -0.17 -6.85 0.00 1.67 9.92 -1.26 -5.19 116.55 114.68 1mxl n ASP 88 Ca 0.00 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1mxl n ASP 88 Cb 0.00 -2.40 0.00 0.00 -0.64 0.00 0.00 41.12 38.08 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09