#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 -1.65 -0.98 7.83 2.03 -1.26 -4.95 116.55 117.56 1mxl n ASP 2 Ca 0.00 -2.22 0.12 0.00 0.52 0.00 0.00 54.79 53.21 1mxl n ASP 2 Cb 0.00 0.97 0.19 0.00 -0.72 0.00 0.00 41.12 41.56 1mxl n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1mxl n ASP 3 N -0.64 3.01 -0.76 1.67 8.00 -1.26 -4.20 116.55 122.37 1mxl n ASP 3 Ca -0.10 -1.95 0.03 0.00 0.71 0.00 0.00 54.79 53.48 1mxl n ASP 3 Cb 0.80 -0.11 0.12 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.27 0.67 0.12 0.53 3.06 -1.26 -3.80 119.36 119.94 1mxl n ILE 4 Ca 0.17 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 60.03 1mxl n ILE 4 Cb 0.57 -0.24 0.00 0.00 0.54 0.00 0.00 39.64 40.51 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 0.18 -1.94 -0.16 9.51 4.01 -1.26 -4.74 117.16 122.77 1mxl n TYR 5 Ca 0.08 0.34 0.28 0.00 -0.16 0.00 0.00 57.90 58.45 1mxl n TYR 5 Cb 0.43 0.48 0.72 0.00 -0.31 0.00 0.00 39.34 40.65 1mxl n TYR 5 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1mxl h LYS 6 N 0.00 0.00 -0.04 -0.72 2.10 -1.76 0.74 116.57 116.90 1mxl h LYS 6 Ca 0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 1mxl h LYS 6 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1mxl h LYS 6 CO 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 179.45 176.97 1mxl h ALA 7 N 1.45 1.12 -0.02 0.07 0.00 -1.88 -2.61 119.26 117.40 1mxl h ALA 7 Ca 0.41 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1mxl h ALA 7 Cb 1.78 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1mxl h ALA 7 CO -0.00 0.62 -0.66 0.00 0.00 0.00 0.00 179.25 179.21 1mxl h ALA 8 N 1.43 0.86 -0.04 0.00 0.00 0.21 -3.25 119.26 118.47 1mxl h ALA 8 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1mxl h ALA 8 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1mxl h ALA 8 CO 0.07 0.80 -0.14 0.28 0.00 0.00 0.00 179.25 180.25 1mxl h VAL 9 N 0.06 1.46 -1.17 0.00 2.07 -1.25 -3.06 116.25 114.36 1mxl h VAL 9 Ca -0.01 -1.56 0.34 0.00 0.82 0.00 0.00 66.70 66.29 1mxl h VAL 9 Cb 1.17 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 33.27 1mxl h VAL 9 CO 0.09 0.43 0.88 -0.08 0.02 0.00 0.00 177.57 178.91 1mxl h GLU 10 N -0.38 0.00 -0.61 1.57 4.81 -1.51 1.68 114.58 120.15 1mxl h GLU 10 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1mxl h GLU 10 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1mxl h GLU 10 CO 0.03 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.35 1mxl n GLN 11 N -4.07 2.49 -0.87 1.92 6.02 -1.16 -4.96 117.38 116.75 1mxl n GLN 11 Ca 0.25 -1.49 -0.36 0.00 -0.01 0.00 0.00 57.00 55.40 1mxl n GLN 11 Cb 1.27 -1.62 0.09 0.00 1.02 0.00 0.00 30.24 30.99 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mxl n LEU 12 N 0.44 -2.73 -4.04 1.08 4.77 0.57 -5.00 117.00 112.09 1mxl n LEU 12 Ca 0.13 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1mxl n LEU 12 Cb 0.55 -0.67 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1mxl n LEU 12 CO 0.13 -2.71 -0.41 0.42 -1.33 0.00 0.00 177.39 173.49 1mxl s THR 13 N -2.09 0.55 0.51 -5.08 -4.23 -1.26 -5.00 115.64 99.04 1mxl s THR 13 Ca 0.43 -0.82 0.31 0.00 -1.18 0.00 0.00 61.69 60.43 1mxl s THR 13 Cb 0.02 -0.57 0.49 0.00 1.34 0.00 0.00 72.50 73.79 1mxl s THR 13 CO 0.65 -0.20 1.83 1.05 -0.54 0.00 0.00 174.62 177.41 1mxl h GLU 14 N 4.99 0.09 0.06 3.99 4.11 -2.00 0.36 114.58 126.17 1mxl h GLU 14 Ca -0.34 -0.01 -0.26 0.00 0.07 0.00 0.00 59.36 58.83 1mxl h GLU 14 Cb 1.20 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1mxl h GLU 14 CO 0.44 0.06 -1.09 1.49 0.07 0.00 0.00 179.01 179.98 1mxl h GLU 15 N 0.09 0.44 -0.17 1.06 4.57 -2.01 -3.29 114.58 115.27 1mxl h GLU 15 Ca 0.52 -0.55 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 1mxl h GLU 15 Cb 1.90 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.67 1mxl h GLU 15 CO -0.07 1.20 -0.32 0.37 -1.18 0.00 0.00 179.01 179.02 1mxl h GLN 16 N 0.21 0.53 -0.86 1.92 5.75 -0.78 -3.17 115.11 118.71 1mxl h GLN 16 Ca -0.12 -0.33 0.22 0.00 -0.15 0.00 0.00 58.65 58.26 1mxl h GLN 16 Cb 1.76 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 30.21 1mxl h GLN 16 CO 0.19 0.94 0.28 -0.22 -2.65 0.00 0.00 178.83 177.37 1mxl h LYS 17 N 0.17 0.27 0.00 1.69 3.64 -1.05 1.57 116.57 122.87 1mxl h LYS 17 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mxl h LYS 17 Cb 0.91 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1mxl h LYS 17 CO 0.07 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.52 1mxl n ASN 18 N -5.15 0.00 -0.10 4.20 3.02 -1.20 -2.06 115.26 113.97 1mxl n ASN 18 Ca 0.20 0.34 -0.20 0.00 -0.03 0.00 0.00 54.58 54.89 1mxl n ASN 18 Cb 0.63 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.00 0.00 3.52 4.39 0.22 -3.37 114.58 119.35 1mxl h GLU 19 Ca 0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 1mxl h GLU 19 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1mxl h GLU 19 CO 0.00 0.92 -0.85 0.27 -1.16 0.00 0.00 179.01 178.19 1mxl h PHE 20 N -1.00 0.12 0.00 4.33 -0.00 -1.44 -3.09 116.94 115.85 1mxl h PHE 20 Ca -0.31 -0.07 0.00 0.00 -0.00 0.00 0.00 57.97 57.59 1mxl h PHE 20 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 1mxl h PHE 20 CO 0.08 0.89 0.00 1.57 -0.00 0.00 0.00 178.31 180.85 1mxl h LYS 21 N 0.04 0.00 0.38 6.09 5.09 -1.62 -1.75 116.57 124.81 1mxl h LYS 21 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.70 1mxl h LYS 21 Cb 1.49 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.82 1mxl h LYS 21 CO 0.12 0.00 -0.18 0.00 -2.09 0.00 0.00 179.45 177.30 1mxl h ALA 22 N 2.00 -0.51 0.00 0.07 0.00 -1.70 -2.50 119.26 116.62 1mxl h ALA 22 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mxl h ALA 22 Cb 0.03 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1mxl h ALA 22 CO 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 179.25 178.75 1mxl h ALA 23 N -1.14 1.59 -0.53 0.00 0.00 -1.65 -0.93 119.26 116.61 1mxl h ALA 23 Ca -0.05 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1mxl h ALA 23 Cb 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1mxl h ALA 23 CO 0.09 0.03 -0.01 0.35 0.00 0.00 0.00 179.25 179.71 1mxl h PHE 24 N 0.00 0.99 -0.25 0.00 3.04 -1.30 0.55 116.94 119.97 1mxl h PHE 24 Ca -0.00 -0.16 -0.03 0.00 3.98 0.00 0.00 57.97 61.76 1mxl h PHE 24 Cb 0.06 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1mxl h PHE 24 CO 0.00 0.89 0.04 0.22 -2.02 0.00 0.00 178.31 177.44 1mxl h ASP 25 N 0.84 0.40 0.42 0.41 1.82 -0.70 -2.87 116.42 116.74 1mxl h ASP 25 Ca 0.16 -0.26 -0.15 0.00 -0.39 0.00 0.00 57.03 56.38 1mxl h ASP 25 Cb 0.51 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1mxl h ASP 25 CO 0.03 0.56 -0.65 0.40 -1.61 0.00 0.00 179.24 177.96 1mxl h ILE 26 N 0.22 1.41 0.00 2.25 5.03 -1.33 -2.91 117.51 122.18 1mxl h ILE 26 Ca 0.08 -2.11 0.00 0.00 -0.12 0.00 0.00 64.86 62.71 1mxl h ILE 26 Cb 0.33 2.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1mxl h ILE 26 CO 0.01 0.62 0.00 -0.26 -0.68 0.00 0.00 178.15 177.83 1mxl h PHE 27 N 0.15 0.00 -0.35 1.37 -1.00 0.30 -0.73 116.94 116.69 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 1.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.74 1mxl h PHE 27 CO 0.02 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.05 1mxl n VAL 28 N -3.08 1.36 -1.53 -0.55 0.24 -1.10 -2.76 118.33 110.90 1mxl n VAL 28 Ca -0.03 -1.22 -0.20 0.00 -2.04 0.00 0.00 64.34 60.85 1mxl n VAL 28 Cb 0.09 0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 32.61 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 0.33 0.34 0.00 1.34 0.00 -0.28 0.12 117.00 118.86 1mxl n LEU 29 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 56.01 55.22 1mxl n LEU 29 Cb 0.57 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.86 1mxl n LEU 29 CO 0.11 -1.96 0.00 0.61 0.00 0.00 0.00 177.39 176.14 1mxl n GLY 30 N 6.19 1.20 3.64 -3.96 0.00 -1.26 -4.59 105.19 106.40 1mxl n GLY 30 Ca 0.57 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.51 -0.11 4.61 0.00 0.33 -4.87 120.51 120.98 1mxl n ALA 31 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1mxl n ALA 31 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1mxl n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1mxl h GLU 32 N 2.51 0.44 0.00 0.00 4.81 -1.88 -3.41 114.58 117.05 1mxl h GLU 32 Ca -0.43 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1mxl h GLU 32 Cb 1.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1mxl h GLU 32 CO 0.63 0.29 0.00 -3.47 -0.73 0.00 0.00 179.01 175.74 1mxl n ASP 33 N -4.86 0.00 -2.10 1.04 2.03 -1.26 -5.02 116.55 106.37 1mxl n ASP 33 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 1mxl n ASP 33 Cb 0.04 -0.17 0.05 0.00 -0.72 0.00 0.00 41.12 40.32 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 2.80 0.19 3.57 0.27 0.00 -1.26 -5.12 105.19 105.64 1mxl n GLY 34 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.24 1.96 0.00 0.00 1.01 0.31 -4.56 121.20 117.68 1mxl s ILE 36 Ca 0.29 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 58.85 1mxl s ILE 36 Cb -0.06 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1mxl s ILE 36 CO 0.17 -0.12 0.00 -1.54 0.00 0.00 0.00 174.94 173.45 1mxl n SER 37 N -0.82 -0.01 0.00 3.58 3.41 -1.26 0.12 113.62 118.63 1mxl n SER 37 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1mxl n SER 37 Cb 0.65 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1mxl n SER 37 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1mxl n THR 38 N -2.50 0.00 0.02 6.66 -2.24 -1.26 -4.70 114.28 110.25 1mxl n THR 38 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1mxl n THR 38 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.51 0.10 -0.78 3.64 -1.97 1.11 116.57 119.19 1mxl h LYS 39 Ca 0.00 -0.31 -0.28 0.00 -1.27 0.00 0.00 60.65 58.79 1mxl h LYS 39 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1mxl h LYS 39 CO 0.00 0.91 -1.39 0.93 -2.27 0.00 0.00 179.45 177.63 1mxl h GLU 40 N 0.40 0.22 0.00 1.90 3.07 -1.81 -3.21 114.58 115.15 1mxl h GLU 40 Ca 0.01 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.48 1mxl h GLU 40 Cb 1.05 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1mxl h GLU 40 CO 0.10 1.11 -0.10 1.25 -1.40 0.00 0.00 179.01 179.96 1mxl h LEU 41 N 0.06 0.00 -1.99 1.33 7.12 -1.45 -3.29 115.31 117.09 1mxl h LEU 41 Ca -0.18 -0.88 0.23 0.00 0.13 0.00 0.00 57.88 57.17 1mxl h LEU 41 Cb 1.98 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 42.07 1mxl h LEU 41 CO 0.17 1.00 0.57 1.23 -0.13 0.00 0.00 178.44 181.29 1mxl h GLY 42 N -1.00 0.00 0.73 3.75 0.00 0.11 0.25 103.07 106.91 1mxl h GLY 42 Ca -0.03 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.48 1mxl h GLY 42 CO -0.02 0.00 0.46 0.50 0.00 0.00 0.00 176.54 177.48 1mxl h LYS 43 N 0.00 0.06 0.01 4.80 1.79 -1.62 0.35 116.57 121.96 1mxl h LYS 43 Ca 0.37 -0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.59 1mxl h LYS 43 Cb 1.51 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 32.16 1mxl h LYS 43 CO -0.00 0.04 -1.01 0.28 -1.08 0.00 0.00 179.45 177.68 1mxl h VAL 44 N 0.06 1.36 0.00 0.50 2.07 -0.67 -3.10 116.25 116.47 1mxl h VAL 44 Ca 0.31 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1mxl h VAL 44 Cb 1.16 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1mxl h VAL 44 CO -0.02 0.73 0.00 0.23 0.02 0.00 0.00 177.57 178.53 1mxl n MET 45 N -3.77 0.00 0.24 1.57 2.81 0.11 0.14 117.12 118.21 1mxl n MET 45 Ca -0.09 0.81 0.14 0.00 -1.81 0.00 0.00 57.70 56.75 1mxl n MET 45 Cb 0.87 -1.49 0.76 0.00 -0.71 0.00 0.00 33.22 32.65 1mxl n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1mxl h ARG 46 N 0.00 0.00 0.10 0.03 3.08 -1.52 -0.18 114.38 115.89 1mxl h ARG 46 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1mxl h ARG 46 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1mxl h ARG 46 CO 0.00 0.00 -1.45 0.52 -1.07 0.00 0.00 179.97 177.97 1mxl h MET 47 N 0.00 0.22 -0.04 0.04 2.86 -0.14 -3.33 114.93 114.55 1mxl h MET 47 Ca 0.00 -0.37 -0.18 0.00 -2.06 0.00 0.00 59.70 57.09 1mxl h MET 47 Cb 0.21 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1mxl h MET 47 CO 0.00 1.09 -0.75 -0.07 1.06 0.00 0.00 176.91 178.23 1mxl h LEU 48 N 0.06 0.31 0.00 1.22 3.38 0.31 -3.47 115.31 117.12 1mxl h LEU 48 Ca -0.21 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1mxl h LEU 48 Cb 1.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1mxl h LEU 48 CO 0.16 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.26 1mxl n GLY 49 N 0.60 1.41 0.31 0.83 0.00 -0.94 -5.11 105.19 102.30 1mxl n GLY 49 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1mxl n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mxl n GLN 50 N 0.00 0.07 -2.84 1.61 7.27 -1.08 -5.03 117.38 117.38 1mxl n GLN 50 Ca 0.00 -0.24 0.03 0.00 0.07 0.00 0.00 57.00 56.86 1mxl n GLN 50 Cb 0.00 0.25 0.01 0.00 2.41 0.00 0.00 30.24 32.90 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1mxl s ASN 51 N -1.20 -0.17 0.74 1.69 4.22 -1.26 -2.74 114.94 116.22 1mxl s ASN 51 Ca 0.02 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.69 1mxl s ASN 51 Cb -0.00 0.47 0.00 0.00 1.28 0.00 0.00 41.25 43.00 1mxl s ASN 51 CO 0.02 -0.02 0.00 -0.81 -2.04 0.00 0.00 177.10 174.24 1mxl n PRO 52 N 4.01 -0.23 -2.19 3.55 -0.04 -1.26 -5.04 135.00 133.81 1mxl n PRO 52 Ca 0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1mxl n PRO 52 Cb 0.63 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.74 3.52 -0.32 0.52 -4.23 -1.26 -4.95 115.64 108.18 1mxl s THR 53 Ca 0.00 0.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.95 1mxl s THR 53 Cb 0.00 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.70 1mxl s THR 53 CO 0.00 -0.50 1.80 1.55 -0.54 0.00 0.00 174.62 176.92 1mxl h PRO 54 N -0.39 0.00 0.19 3.99 0.13 -2.01 -3.00 132.00 130.92 1mxl h PRO 54 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 1mxl h PRO 54 Cb 1.26 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.42 1mxl h PRO 54 CO 0.62 0.00 -1.11 1.49 -0.23 0.00 0.00 178.00 178.77 1mxl h GLU 55 N 0.00 0.40 0.00 0.86 4.81 -2.02 -3.25 114.58 115.38 1mxl h GLU 55 Ca 0.00 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.54 1mxl h GLU 55 Cb 0.44 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1mxl h GLU 55 CO 0.00 1.32 -0.07 1.49 -0.73 0.00 0.00 179.01 181.03 1mxl h GLU 56 N -0.16 0.00 0.43 1.92 4.81 -1.92 -3.03 114.58 116.63 1mxl h GLU 56 Ca -0.20 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1mxl h GLU 56 Cb 1.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1mxl h GLU 56 CO 0.20 0.07 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.27 1mxl h LEU 57 N 0.00 -0.49 -1.57 1.64 3.38 -1.56 -2.74 115.31 113.97 1mxl h LEU 57 Ca -0.00 -0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.07 1mxl h LEU 57 Cb 0.36 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1mxl h LEU 57 CO 0.01 -0.20 0.55 1.56 0.09 0.00 0.00 178.44 180.45 1mxl h GLN 58 N -0.78 0.38 -0.89 1.13 4.20 -1.62 0.80 115.11 118.33 1mxl h GLN 58 Ca -0.06 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.71 1mxl h GLN 58 Cb 0.54 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.17 1mxl h GLN 58 CO 0.10 0.25 0.58 1.49 -0.67 0.00 0.00 178.83 180.58 1mxl h GLU 59 N 0.39 0.90 0.00 1.46 4.81 -1.48 0.36 114.58 121.03 1mxl h GLU 59 Ca 0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1mxl h GLU 59 Cb 1.02 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1mxl h GLU 59 CO -0.14 0.59 0.00 -1.33 -0.73 0.00 0.00 179.01 177.41 1mxl n MET 60 N -4.52 0.11 -0.03 1.92 2.81 0.27 -1.65 117.12 116.04 1mxl n MET 60 Ca 0.15 0.51 -0.03 0.00 -1.81 0.00 0.00 57.70 56.51 1mxl n MET 60 Cb 0.27 -1.79 -0.01 0.00 -0.71 0.00 0.00 33.22 30.98 1mxl n MET 60 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1mxl n ILE 61 N -2.01 0.58 0.06 2.02 -0.00 0.12 -4.43 119.36 115.70 1mxl n ILE 61 Ca 0.00 0.35 0.21 0.00 -0.00 0.00 0.00 62.75 63.31 1mxl n ILE 61 Cb 0.09 -1.81 0.66 0.00 -0.00 0.00 0.00 39.64 38.59 1mxl n ILE 61 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 1mxl h ASP 62 N -0.38 0.00 -0.06 4.38 3.58 -1.29 -0.78 116.42 121.88 1mxl h ASP 62 Ca 0.00 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.48 1mxl h ASP 62 Cb 0.38 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1mxl h ASP 62 CO 0.00 0.00 -0.19 -0.33 -2.88 0.00 0.00 179.24 175.84 1mxl h GLU 63 N 0.00 -0.27 -0.50 0.28 5.08 -1.53 -2.52 114.58 115.12 1mxl h GLU 63 Ca 0.23 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1mxl h GLU 63 Cb 1.47 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.71 1mxl h GLU 63 CO -0.00 -0.18 0.10 1.33 -1.00 0.00 0.00 179.01 179.26 1mxl n VAL 64 N -5.32 2.64 -2.79 3.13 0.24 -0.39 -4.95 118.33 110.89 1mxl n VAL 64 Ca -0.04 -1.88 -0.42 0.00 -2.04 0.00 0.00 64.34 59.96 1mxl n VAL 64 Cb 0.24 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.56 6.83 0.00 -1.34 -1.08 -0.68 -4.75 116.67 114.09 1mxl s ASP 65 Ca 0.49 0.93 0.16 0.00 -0.52 0.00 0.00 52.55 53.62 1mxl s ASP 65 Cb 0.40 -2.48 0.44 0.00 -1.46 0.00 0.00 42.92 39.82 1mxl s ASP 65 CO 0.10 -0.71 1.36 -0.62 0.52 0.00 0.00 175.17 175.82 1mxl n GLU 66 N 6.44 2.68 -0.00 4.34 4.71 -1.26 -4.36 120.64 133.19 1mxl n GLU 66 Ca 0.08 -2.26 0.00 0.00 -0.01 0.00 0.00 57.16 54.97 1mxl n GLU 66 Cb 0.47 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1mxl n ASP 67 N 1.03 0.55 -4.03 1.62 5.75 -1.26 -5.01 116.55 115.21 1mxl n ASP 67 Ca 0.17 -1.28 -0.27 0.00 -0.01 0.00 0.00 54.79 53.39 1mxl n ASP 67 Cb 0.51 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.14 -0.23 0.09 6.12 0.00 -1.26 -4.85 105.19 104.91 1mxl n GLY 68 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.94 1.16 0.00 1.61 3.41 -1.26 -5.00 113.62 110.59 1mxl n SER 69 Ca -0.31 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 1mxl n SER 69 Cb 0.68 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 2.07 0.96 3.40 5.00 0.00 -1.26 -5.08 105.19 110.29 1mxl n GLY 70 Ca -0.30 -0.03 -0.22 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 -2.00 0.33 0.02 2.61 -4.23 -1.26 -4.57 115.64 106.55 1mxl s THR 71 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1mxl s THR 71 Cb 0.00 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1mxl s THR 71 CO 0.00 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.44 1mxl s VAL 72 N -3.37 0.12 0.44 2.29 1.01 0.32 -4.84 120.40 116.37 1mxl s VAL 72 Ca 0.31 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1mxl s VAL 72 Cb 0.03 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 1mxl s VAL 72 CO 0.19 -0.55 0.14 0.47 0.00 0.00 0.00 175.10 175.35 1mxl n ASP 73 N 1.18 1.46 0.27 3.32 8.00 -1.26 0.11 116.55 129.62 1mxl n ASP 73 Ca -0.21 -3.27 0.13 0.00 0.71 0.00 0.00 54.79 52.14 1mxl n ASP 73 Cb 0.57 1.01 0.67 0.00 -0.02 0.00 0.00 41.12 43.35 1mxl n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1mxl h PHE 74 N 1.66 0.00 0.00 1.24 3.04 -1.99 0.20 116.94 121.09 1mxl h PHE 74 Ca -0.34 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.56 1mxl h PHE 74 Cb 1.27 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1mxl h PHE 74 CO 0.00 0.00 -0.53 -0.44 -2.02 0.00 0.00 178.31 175.32 1mxl h ASP 75 N 0.00 0.00 -0.02 0.41 5.19 -1.97 -3.15 116.42 116.87 1mxl h ASP 75 Ca 0.00 -0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.18 1mxl h ASP 75 Cb 0.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1mxl h ASP 75 CO 0.00 0.87 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.50 1mxl h GLU 76 N -1.00 0.35 -0.43 3.56 5.08 -1.74 -2.84 114.58 117.56 1mxl h GLU 76 Ca -0.07 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1mxl h GLU 76 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1mxl h GLU 76 CO -0.04 0.51 -0.11 0.35 -1.00 0.00 0.00 179.01 178.72 1mxl h PHE 77 N 0.33 0.95 -0.09 4.33 3.57 -0.80 -2.52 116.94 122.70 1mxl h PHE 77 Ca 0.06 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.38 1mxl h PHE 77 Cb 0.48 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1mxl h PHE 77 CO 0.01 0.95 0.33 -0.07 -2.23 0.00 0.00 178.31 177.30 1mxl h LEU 78 N 0.67 0.00 0.15 0.59 3.38 -1.46 -0.59 115.31 118.05 1mxl h LEU 78 Ca 0.11 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.73 1mxl h LEU 78 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mxl h LEU 78 CO 0.04 0.00 -1.82 0.58 0.09 0.00 0.00 178.44 177.33 1mxl h VAL 79 N 0.00 0.83 0.00 1.22 2.07 -1.50 -3.32 116.25 115.55 1mxl h VAL 79 Ca 0.04 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.08 1mxl h VAL 79 Cb 0.71 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1mxl h VAL 79 CO -0.00 0.86 0.00 -0.03 0.02 0.00 0.00 177.57 178.42 1mxl h MET 80 N 0.09 0.00 -0.01 1.57 -1.53 -0.98 -0.59 114.93 113.48 1mxl h MET 80 Ca -0.36 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.90 1mxl h MET 80 Cb 2.07 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.12 1mxl h MET 80 CO 0.14 0.00 -0.39 -1.33 0.14 0.00 0.00 176.91 175.47 1mxl n MET 81 N -2.55 0.59 -0.10 0.39 2.00 -1.08 -4.11 117.12 112.26 1mxl n MET 81 Ca -0.01 -0.37 -0.23 0.00 0.00 0.00 0.00 57.70 57.09 1mxl n MET 81 Cb 0.11 -1.49 -0.12 0.00 0.00 0.00 0.00 33.22 31.72 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 -0.88 1.57 -0.22 2.03 0.31 -0.24 -3.99 118.33 116.90 1mxl n VAL 82 Ca 0.10 -0.43 0.12 0.00 -0.01 0.00 0.00 64.34 64.12 1mxl n VAL 82 Cb 0.35 -1.74 0.42 0.00 -0.91 0.00 0.00 33.84 31.96 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 -0.49 0.59 -0.16 5.55 3.08 -1.70 0.46 114.38 121.72 1mxl h ARG 83 Ca -0.55 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.36 1mxl h ARG 83 Cb 1.73 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.63 1mxl h ARG 83 CO -0.18 0.39 -0.38 0.00 -1.07 0.00 0.00 179.97 178.73 1mxl h MET 85 N 0.29 0.62 -6.50 0.00 2.86 -1.08 -3.44 114.93 107.69 1mxl h MET 85 Ca 0.03 -0.47 -0.53 0.00 -2.06 0.00 0.00 59.70 56.66 1mxl h MET 85 Cb 0.81 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1mxl h MET 85 CO 0.06 1.09 0.57 0.15 1.06 0.00 0.00 176.91 179.85 1mxl s LYS 86 N -3.79 4.43 0.43 1.72 1.02 -0.64 -4.83 119.74 118.07 1mxl s LYS 86 Ca -0.08 1.80 0.00 0.00 0.02 0.00 0.00 55.97 57.71 1mxl s LYS 86 Cb 0.10 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1mxl s LYS 86 CO 0.87 -0.26 0.00 -0.25 -0.92 0.00 0.00 175.35 174.79 1mxl n ASP 87 N 3.82 -2.99 -1.27 2.83 9.92 -1.26 -4.93 116.55 122.68 1mxl n ASP 87 Ca 0.09 0.35 0.17 0.00 -0.53 0.00 0.00 54.79 54.87 1mxl n ASP 87 Cb 0.46 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 39.75 1mxl n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mxl n ASP 88 N -4.05 -7.55 0.00 -2.24 2.03 -1.26 -4.91 116.55 98.56 1mxl n ASP 88 Ca 0.00 0.64 0.00 0.00 0.52 0.00 0.00 54.79 55.95 1mxl n ASP 88 Cb 0.15 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.63 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74