#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 3.81 -0.36 6.12 1.11 -1.26 -5.09 116.67 121.01 1mxl s ASP 2 Ca 0.00 -0.37 0.01 0.00 0.18 0.00 0.00 52.55 52.37 1mxl s ASP 2 Cb 0.00 -0.66 0.14 0.00 1.07 0.00 0.00 42.92 43.48 1mxl s ASP 2 CO 0.00 0.28 0.25 -0.62 1.18 0.00 0.00 175.17 176.27 1mxl s ASP 3 N -1.21 2.49 0.00 0.27 2.15 -1.26 -4.87 116.67 114.25 1mxl s ASP 3 Ca 0.14 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.09 1mxl s ASP 3 Cb -0.10 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.37 1mxl s ASP 3 CO 0.04 -0.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.74 1mxl n ILE 4 N 4.09 0.00 -0.11 4.11 3.06 -1.26 -5.01 119.36 124.25 1mxl n ILE 4 Ca 0.12 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.16 1mxl n ILE 4 Cb 0.39 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.50 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 -0.07 9.51 4.01 -1.26 -3.88 117.16 125.31 1mxl n TYR 5 Ca 0.00 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 57.99 1mxl n TYR 5 Cb 0.00 -0.77 0.72 0.00 -0.31 0.00 0.00 39.34 38.98 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 -0.92 0.00 0.05 -0.72 6.56 -1.95 0.08 116.57 119.67 1mxl h LYS 6 Ca -0.44 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.03 1mxl h LYS 6 Cb 1.35 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.03 1mxl h LYS 6 CO -0.26 0.00 -0.52 0.00 -2.06 0.00 0.00 179.45 176.60 1mxl h ALA 7 N 1.53 0.00 -0.76 3.86 0.00 -1.94 -3.09 119.26 118.86 1mxl h ALA 7 Ca 0.33 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1mxl h ALA 7 Cb 1.46 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1mxl h ALA 7 CO -0.00 0.26 0.29 0.00 0.00 0.00 0.00 179.25 179.80 1mxl h ALA 8 N 0.19 1.08 -0.54 0.00 0.00 -1.22 -2.74 119.26 116.04 1mxl h ALA 8 Ca -0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1mxl h ALA 8 Cb 1.31 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1mxl h ALA 8 CO 0.10 0.65 0.32 0.28 0.00 0.00 0.00 179.25 180.60 1mxl h VAL 9 N 1.11 1.05 0.00 0.00 2.07 -1.14 0.55 116.25 119.90 1mxl h VAL 9 Ca 0.25 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1mxl h VAL 9 Cb 0.22 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1mxl h VAL 9 CO -0.02 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.07 1mxl n GLU 10 N -4.79 0.02 -0.29 1.57 1.02 -1.05 -1.44 120.64 115.69 1mxl n GLU 10 Ca 0.04 0.32 0.07 0.00 -0.02 0.00 0.00 57.16 57.57 1mxl n GLU 10 Cb 0.08 -1.50 0.22 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.46 2.95 -2.02 3.49 6.02 0.16 -5.00 117.38 121.52 1mxl n GLN 11 Ca 0.03 -2.35 -0.41 0.00 -0.01 0.00 0.00 57.00 54.25 1mxl n GLN 11 Cb 0.10 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.32 4.39 0.04 1.08 1.43 -0.52 -5.01 118.68 118.77 1mxl s LEU 12 Ca 0.33 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 56.16 1mxl s LEU 12 Cb 0.19 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1mxl s LEU 12 CO 0.19 -0.67 0.11 0.42 0.23 0.00 0.00 176.35 176.62 1mxl s THR 13 N -0.45 4.78 0.50 5.49 -4.23 -1.26 -4.93 115.64 115.55 1mxl s THR 13 Ca 0.56 -0.54 0.36 0.00 -1.18 0.00 0.00 61.69 60.88 1mxl s THR 13 Cb -0.42 -3.26 0.56 0.00 1.34 0.00 0.00 72.50 70.72 1mxl s THR 13 CO 0.48 0.22 1.69 1.05 -0.54 0.00 0.00 174.62 177.53 1mxl h GLU 14 N 3.59 0.08 -0.86 3.99 4.11 -1.97 0.55 114.58 124.07 1mxl h GLU 14 Ca -0.47 -0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.05 1mxl h GLU 14 Cb 1.17 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 1mxl h GLU 14 CO 0.66 0.05 0.50 1.49 0.07 0.00 0.00 179.01 181.79 1mxl h GLU 15 N 0.08 0.81 0.03 1.06 4.57 -2.01 -2.14 114.58 116.97 1mxl h GLU 15 Ca 0.73 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.71 1mxl h GLU 15 Cb 2.62 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 31.02 1mxl h GLU 15 CO -0.16 0.54 -0.80 1.96 -1.18 0.00 0.00 179.01 179.36 1mxl h GLN 16 N 0.83 0.06 -0.54 1.92 4.20 -0.32 -3.32 115.11 117.96 1mxl h GLN 16 Ca 0.42 -0.10 0.16 0.00 0.06 0.00 0.00 58.65 59.18 1mxl h GLN 16 Cb 0.39 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1mxl h GLN 16 CO -0.25 1.05 0.83 -0.22 -0.67 0.00 0.00 178.83 179.57 1mxl h LYS 17 N -0.84 0.00 -0.29 1.46 1.63 -1.15 0.40 116.57 117.78 1mxl h LYS 17 Ca -0.20 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.42 1mxl h LYS 17 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1mxl h LYS 17 CO -0.06 0.00 -0.52 -0.91 -3.45 0.00 0.00 179.45 174.51 1mxl h ASN 18 N 0.00 0.95 0.39 4.20 2.35 -1.48 -1.46 115.58 120.53 1mxl h ASN 18 Ca 0.25 -0.53 -0.15 0.00 -0.55 0.00 0.00 56.30 55.32 1mxl h ASN 18 Cb 1.92 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 40.00 1mxl h ASN 18 CO -0.00 1.30 -0.63 -0.08 -1.65 0.00 0.00 177.43 176.37 1mxl h GLU 19 N 0.63 0.22 -0.00 0.81 4.81 -0.38 -3.28 114.58 117.39 1mxl h GLU 19 Ca 0.02 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.01 1mxl h GLU 19 Cb 1.13 0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1mxl h GLU 19 CO 0.12 0.78 -0.28 0.74 -0.73 0.00 0.00 179.01 179.63 1mxl h PHE 20 N 0.16 0.29 -1.24 0.92 0.04 -1.48 -3.20 116.94 112.43 1mxl h PHE 20 Ca -0.01 -0.16 0.36 0.00 2.80 0.00 0.00 57.97 60.96 1mxl h PHE 20 Cb 1.14 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 39.21 1mxl h PHE 20 CO 0.02 0.96 0.94 1.57 -0.60 0.00 0.00 178.31 181.20 1mxl h LYS 21 N -0.46 0.00 0.52 1.51 5.09 -1.32 -1.40 116.57 120.51 1mxl h LYS 21 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.68 1mxl h LYS 21 Cb 1.03 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.37 1mxl h LYS 21 CO 0.06 0.00 -0.25 0.00 -2.09 0.00 0.00 179.45 177.17 1mxl h ALA 22 N 1.28 -0.83 -0.66 0.07 0.00 -1.61 -1.84 119.26 115.68 1mxl h ALA 22 Ca 0.59 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.48 1mxl h ALA 22 Cb 2.47 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 20.43 1mxl h ALA 22 CO -0.01 -0.77 0.15 0.00 0.00 0.00 0.00 179.25 178.62 1mxl h ALA 23 N -1.39 0.81 -0.69 0.00 0.00 -1.38 0.04 119.26 116.64 1mxl h ALA 23 Ca -0.07 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1mxl h ALA 23 Cb 0.53 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1mxl h ALA 23 CO 0.12 -0.31 0.39 0.35 0.00 0.00 0.00 179.25 179.79 1mxl h PHE 24 N 0.27 0.71 -0.66 0.00 3.57 -1.42 1.37 116.94 120.77 1mxl h PHE 24 Ca 0.36 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.88 1mxl h PHE 24 Cb 0.56 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1mxl h PHE 24 CO -0.25 0.33 0.41 0.22 -2.23 0.00 0.00 178.31 176.79 1mxl h ASP 25 N 0.71 0.78 0.67 0.41 3.58 -0.13 -0.78 116.42 121.66 1mxl h ASP 25 Ca 0.31 -0.04 -0.26 0.00 0.42 0.00 0.00 57.03 57.46 1mxl h ASP 25 Cb 0.21 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 1mxl h ASP 25 CO -0.19 0.59 -1.44 0.40 -2.88 0.00 0.00 179.24 175.72 1mxl h ILE 26 N 0.91 1.18 0.00 2.25 5.03 -0.43 -1.95 117.51 124.50 1mxl h ILE 26 Ca 0.24 -2.97 -0.01 0.00 -0.12 0.00 0.00 64.86 62.00 1mxl h ILE 26 Cb -0.06 2.59 -0.00 0.00 -3.03 0.00 0.00 36.82 36.33 1mxl h ILE 26 CO -0.05 0.69 -0.06 -0.26 -0.68 0.00 0.00 178.15 177.79 1mxl h PHE 27 N 0.00 0.00 -0.00 1.37 -1.00 0.22 -3.09 116.94 114.45 1mxl h PHE 27 Ca -0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.60 1mxl h PHE 27 Cb 1.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.49 1mxl h PHE 27 CO 0.00 0.06 -0.19 1.33 -1.61 0.00 0.00 178.31 177.90 1mxl n VAL 28 N -3.17 0.00 -1.53 -0.55 0.24 -0.34 -4.51 118.33 108.47 1mxl n VAL 28 Ca 0.01 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.34 61.71 1mxl n VAL 28 Cb 0.37 1.08 -0.13 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.41 0.47 0.00 1.34 0.00 -0.73 0.93 117.00 118.60 1mxl n LEU 29 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 56.01 55.05 1mxl n LEU 29 Cb 0.16 -1.18 0.00 0.00 0.00 0.00 0.00 43.42 42.40 1mxl n LEU 29 CO 0.11 -2.02 0.00 0.61 0.00 0.00 0.00 177.39 176.09 1mxl n GLY 30 N 6.23 1.29 3.64 -3.96 0.00 -1.26 -5.04 105.19 106.10 1mxl n GLY 30 Ca 0.56 0.00 -0.43 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 s ALA 31 N -0.73 3.44 0.13 4.61 0.00 0.26 -4.90 121.76 124.56 1mxl s ALA 31 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 1mxl s ALA 31 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1mxl s ALA 31 CO 0.00 -1.65 1.70 0.93 0.00 0.00 0.00 175.76 176.75 1mxl h GLU 32 N 9.68 -0.02 0.00 0.00 3.07 -1.94 0.45 114.58 125.83 1mxl h GLU 32 Ca -0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1mxl h GLU 32 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1mxl h GLU 32 CO 0.99 -0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 178.34 1mxl n ASP 33 N -5.20 0.00 -2.00 1.42 9.92 -1.26 -4.87 116.55 114.56 1mxl n ASP 33 Ca -0.03 -0.20 -0.08 0.00 -0.53 0.00 0.00 54.79 53.95 1mxl n ASP 33 Cb 0.13 -0.20 0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1mxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mxl n GLY 34 N 0.41 0.15 0.00 0.44 0.00 0.15 -5.04 105.19 101.30 1mxl n GLY 34 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.58 0.67 -0.39 0.00 1.01 -1.03 -4.20 121.20 116.68 1mxl s ILE 36 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.02 1mxl s ILE 36 Cb 0.00 -1.16 0.59 0.00 0.01 0.00 0.00 42.46 41.90 1mxl s ILE 36 CO 0.00 -0.22 1.73 -1.20 0.00 0.00 0.00 174.94 175.26 1mxl n SER 37 N 4.99 3.40 0.00 3.58 7.64 -1.26 -1.38 113.62 130.59 1mxl n SER 37 Ca -0.09 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1mxl n SER 37 Cb 0.46 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 -1.13 0.00 -0.44 0.44 -2.24 -1.26 -4.68 114.28 104.98 1mxl n THR 38 Ca 0.49 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.63 1mxl n THR 38 Cb 1.37 0.00 0.65 0.00 -2.10 0.00 0.00 70.33 70.25 1mxl n THR 38 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1mxl h LYS 39 N 0.00 0.11 0.00 -0.78 1.57 -1.95 1.86 116.57 117.38 1mxl h LYS 39 Ca 0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1mxl h LYS 39 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1mxl h LYS 39 CO 0.00 0.08 -1.34 0.39 -0.57 0.00 0.00 179.45 178.01 1mxl n GLU 40 N -4.62 0.62 0.28 3.15 -0.58 -1.26 -4.09 120.64 114.14 1mxl n GLU 40 Ca 0.35 0.19 -0.13 0.00 -0.42 0.00 0.00 57.16 57.16 1mxl n GLU 40 Cb 1.38 -1.81 -0.07 0.00 -0.57 0.00 0.00 31.44 30.38 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 -0.64 -0.88 -4.62 5.85 0.26 -3.15 115.31 112.13 1mxl h LEU 41 Ca -0.13 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 58.79 1mxl h LEU 41 Cb 1.45 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 42.49 1mxl h LEU 41 CO 0.03 -0.25 0.05 1.23 -0.34 0.00 0.00 178.44 179.17 1mxl h GLY 42 N -1.12 1.10 -0.34 3.75 0.00 -1.20 0.75 103.07 106.00 1mxl h GLY 42 Ca -0.08 0.10 0.26 0.00 0.00 0.00 0.00 47.33 47.61 1mxl h GLY 42 CO 0.13 -0.39 0.44 0.50 0.00 0.00 0.00 176.54 177.21 1mxl h LYS 43 N 0.09 0.35 0.00 4.80 6.56 -1.69 0.90 116.57 127.58 1mxl h LYS 43 Ca 0.51 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.98 1mxl h LYS 43 Cb 1.00 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 1mxl h LYS 43 CO -0.77 0.23 -0.47 0.28 -2.06 0.00 0.00 179.45 176.66 1mxl h VAL 44 N 0.36 0.97 -0.38 0.50 2.07 0.47 -3.23 116.25 117.02 1mxl h VAL 44 Ca 0.62 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1mxl h VAL 44 Cb 1.27 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 1mxl h VAL 44 CO -0.57 0.46 0.18 0.24 0.02 0.00 0.00 177.57 177.91 1mxl h MET 45 N 0.00 0.54 0.00 1.57 2.86 0.16 -0.95 114.93 119.11 1mxl h MET 45 Ca -0.00 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1mxl h MET 45 Cb 1.11 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1mxl h MET 45 CO 0.06 0.48 0.00 0.07 1.06 0.00 0.00 176.91 178.58 1mxl h ARG 46 N 0.47 0.00 0.13 1.72 0.11 -0.91 -0.70 114.38 115.20 1mxl h ARG 46 Ca 0.13 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.88 1mxl h ARG 46 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1mxl h ARG 46 CO -0.02 0.00 -1.69 0.52 0.10 0.00 0.00 179.97 178.88 1mxl h MET 47 N 0.00 0.27 0.00 0.08 2.86 -1.28 -3.33 114.93 113.53 1mxl h MET 47 Ca 0.00 -0.46 -0.06 0.00 -2.06 0.00 0.00 59.70 57.12 1mxl h MET 47 Cb 0.16 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1mxl h MET 47 CO 0.00 1.13 -0.27 -0.07 1.06 0.00 0.00 176.91 178.76 1mxl h LEU 48 N 0.07 0.00 0.00 1.22 3.38 -0.67 -3.46 115.31 115.85 1mxl h LEU 48 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1mxl h LEU 48 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 1mxl h LEU 48 CO 0.15 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.56 1mxl n GLY 49 N 0.08 2.00 0.52 0.83 0.00 -0.96 -5.12 105.19 102.54 1mxl n GLY 49 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.00 0.08 -2.76 1.61 6.02 -0.33 -5.01 117.38 116.99 1mxl n GLN 50 Ca 0.00 -0.51 -0.02 0.00 -0.01 0.00 0.00 57.00 56.46 1mxl n GLN 50 Cb 0.00 0.44 0.02 0.00 1.02 0.00 0.00 30.24 31.72 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1mxl s ASN 51 N -1.37 -0.64 -0.02 1.08 3.84 -1.26 -2.05 114.94 114.52 1mxl s ASN 51 Ca 0.06 -0.61 -0.30 0.00 0.21 0.00 0.00 52.86 52.21 1mxl s ASN 51 Cb 0.00 0.83 -0.04 0.00 -0.55 0.00 0.00 41.25 41.50 1mxl s ASN 51 CO 0.04 -0.04 1.20 -2.16 -2.79 0.00 0.00 177.10 173.35 1mxl s PRO 52 N 1.28 4.38 1.25 0.43 0.04 -1.26 -5.01 135.00 136.10 1mxl s PRO 52 Ca 0.22 1.70 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 1mxl s PRO 52 Cb 0.06 -3.50 0.27 0.00 0.04 0.00 0.00 34.50 31.38 1mxl s PRO 52 CO -0.10 -0.39 0.62 0.25 0.04 0.00 0.00 177.00 177.42 1mxl n THR 53 N 4.41 0.00 0.11 1.26 -2.24 -1.26 -4.53 114.28 112.04 1mxl n THR 53 Ca 0.10 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1mxl n THR 53 Cb 0.46 -0.80 0.18 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.99 0.13 -0.39 -0.78 0.13 -1.99 0.49 132.00 126.60 1mxl h PRO 54 Ca -0.43 -0.08 -0.15 0.00 -0.87 0.00 0.00 66.00 64.47 1mxl h PRO 54 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1mxl h PRO 54 CO 0.29 0.65 -0.34 0.93 -0.23 0.00 0.00 178.00 179.30 1mxl h GLU 55 N 0.10 0.92 0.00 0.86 5.08 -2.03 -3.10 114.58 116.40 1mxl h GLU 55 Ca -0.00 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1mxl h GLU 55 Cb 1.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1mxl h GLU 55 CO 0.08 1.12 -0.58 1.49 -1.00 0.00 0.00 179.01 180.12 1mxl h GLU 56 N 0.73 0.00 0.29 2.33 4.57 -1.88 -3.37 114.58 117.26 1mxl h GLU 56 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1mxl h GLU 56 Cb 0.92 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.48 1mxl h GLU 56 CO 0.09 0.05 -0.49 -0.07 -1.18 0.00 0.00 179.01 177.41 1mxl h LEU 57 N 0.00 -1.40 -1.44 1.64 3.38 -0.81 -0.99 115.31 115.69 1mxl h LEU 57 Ca -0.01 0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.40 1mxl h LEU 57 Cb 1.06 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1mxl h LEU 57 CO 0.01 -0.59 0.72 -0.61 0.09 0.00 0.00 178.44 178.06 1mxl h GLN 58 N -0.84 0.28 -0.44 1.13 -0.00 -1.72 0.62 115.11 114.16 1mxl h GLN 58 Ca -0.02 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.74 1mxl h GLN 58 Cb 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 1mxl h GLN 58 CO -0.18 0.19 0.38 1.49 0.00 0.00 0.00 178.83 180.71 1mxl h GLU 59 N 0.29 0.00 0.00 1.69 4.81 -1.36 0.28 114.58 120.29 1mxl h GLU 59 Ca 0.63 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.72 1mxl h GLU 59 Cb 1.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1mxl h GLU 59 CO -0.29 0.00 -0.81 1.98 -0.73 0.00 0.00 179.01 179.16 1mxl h MET 60 N 0.00 0.00 -0.00 1.92 4.05 0.26 -3.25 114.93 117.91 1mxl h MET 60 Ca 0.21 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1mxl h MET 60 Cb 0.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1mxl h MET 60 CO -0.00 0.56 -0.00 0.82 0.23 0.00 0.00 176.91 178.51 1mxl h ILE 61 N 0.00 1.60 -0.21 1.77 1.08 -0.43 -3.22 117.51 118.09 1mxl h ILE 61 Ca -0.04 -1.77 0.06 0.00 -0.39 0.00 0.00 64.86 62.72 1mxl h ILE 61 Cb 1.52 2.80 -0.01 0.00 -3.07 0.00 0.00 36.82 38.06 1mxl h ILE 61 CO 0.07 0.46 0.17 -0.78 -0.69 0.00 0.00 178.15 177.38 1mxl h ASP 62 N -0.75 0.00 -0.97 1.72 1.82 -1.49 -1.62 116.42 115.13 1mxl h ASP 62 Ca -0.00 0.00 0.24 0.00 -0.39 0.00 0.00 57.03 56.88 1mxl h ASP 62 Cb 0.75 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.69 1mxl h ASP 62 CO 0.00 0.00 0.65 -0.08 -1.61 0.00 0.00 179.24 178.20 1mxl h GLU 63 N 0.00 0.31 -0.31 0.28 4.57 -1.59 -1.86 114.58 115.98 1mxl h GLU 63 Ca 0.10 -0.02 -0.25 0.00 -1.18 0.00 0.00 59.36 58.01 1mxl h GLU 63 Cb 0.44 -0.07 -0.27 0.00 -0.16 0.00 0.00 28.75 28.69 1mxl h GLU 63 CO -0.00 0.21 -0.80 1.33 -1.18 0.00 0.00 179.01 178.57 1mxl n VAL 64 N -4.49 1.78 -4.67 0.32 0.24 -0.63 -5.05 118.33 105.83 1mxl n VAL 64 Ca 0.22 -3.13 -0.34 0.00 -2.04 0.00 0.00 64.34 59.05 1mxl n VAL 64 Cb 0.83 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 33.02 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 -3.24 4.52 0.00 -1.34 2.15 -0.70 -4.76 116.67 113.29 1mxl s ASP 65 Ca 0.40 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.32 1mxl s ASP 65 Cb 0.38 -1.10 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 1mxl s ASP 65 CO -0.05 0.36 0.86 -0.62 -0.17 0.00 0.00 175.17 175.55 1mxl n GLU 66 N 2.21 2.16 0.00 4.34 1.02 -1.26 -4.69 120.64 124.43 1mxl n GLU 66 Ca -0.18 -1.23 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 1mxl n GLU 66 Cb 0.53 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1mxl n ASP 67 N -0.37 1.43 -1.00 1.62 5.68 -1.26 -5.00 116.55 117.65 1mxl n ASP 67 Ca 0.00 -0.26 -0.13 0.00 -0.50 0.00 0.00 54.79 53.91 1mxl n ASP 67 Cb 0.28 0.80 -0.05 0.00 -1.14 0.00 0.00 41.12 41.01 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 1.23 1.28 0.26 6.12 0.00 -1.26 -4.86 105.19 107.95 1mxl n GLY 68 Ca 0.00 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.97 -3.46 113.55 114.37 1mxl h SER 69 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1mxl h SER 69 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1mxl h SER 69 CO 0.38 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1mxl n GLY 70 N -0.02 2.99 3.98 -0.77 0.00 -1.26 -5.03 105.19 105.09 1mxl n GLY 70 Ca 0.00 -0.04 -0.22 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 -2.83 1.95 0.18 2.61 -4.23 -1.26 -4.79 115.64 107.27 1mxl s THR 71 Ca 0.00 -1.20 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 1mxl s THR 71 Cb 0.00 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 1mxl s THR 71 CO 0.00 0.00 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.21 1mxl s VAL 72 N -2.71 1.85 0.27 2.29 1.01 -0.48 -4.90 120.40 117.74 1mxl s VAL 72 Ca 0.50 -2.02 0.09 0.00 0.00 0.00 0.00 61.98 60.56 1mxl s VAL 72 Cb -0.04 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1mxl s VAL 72 CO 0.32 -0.38 -0.13 -0.62 0.00 0.00 0.00 175.10 174.28 1mxl s ASP 73 N -2.87 3.15 0.65 3.32 -1.08 -1.26 -2.48 116.67 116.10 1mxl s ASP 73 Ca 0.18 -1.10 0.23 0.00 -0.52 0.00 0.00 52.55 51.35 1mxl s ASP 73 Cb -0.05 -0.23 1.21 0.00 -1.46 0.00 0.00 42.92 42.39 1mxl s ASP 73 CO 0.07 -0.15 1.68 0.15 0.52 0.00 0.00 175.17 177.44 1mxl h PHE 74 N 2.30 0.00 0.08 -5.34 3.57 -1.99 0.86 116.94 116.42 1mxl h PHE 74 Ca -0.40 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 60.99 1mxl h PHE 74 Cb 1.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1mxl h PHE 74 CO 0.75 0.00 -0.52 0.22 -2.23 0.00 0.00 178.31 176.53 1mxl h ASP 75 N 0.00 0.26 0.34 0.41 1.82 -2.01 -3.28 116.42 113.96 1mxl h ASP 75 Ca 0.08 -0.96 -0.13 0.00 -0.39 0.00 0.00 57.03 55.63 1mxl h ASP 75 Cb 1.21 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1mxl h ASP 75 CO -0.00 1.25 -0.53 -0.33 -1.61 0.00 0.00 179.24 178.01 1mxl h GLU 76 N -0.64 0.21 -0.29 0.28 5.08 -1.22 -3.18 114.58 114.83 1mxl h GLU 76 Ca -0.10 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1mxl h GLU 76 Cb 1.38 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 1mxl h GLU 76 CO 0.08 0.69 0.03 0.35 -1.00 0.00 0.00 179.01 179.16 1mxl h PHE 77 N 0.16 0.04 -0.98 4.33 3.57 -1.16 -1.47 116.94 121.43 1mxl h PHE 77 Ca 0.00 0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.75 1mxl h PHE 77 Cb 1.00 0.02 -0.12 0.00 2.79 0.00 0.00 35.95 39.64 1mxl h PHE 77 CO 0.02 -0.01 0.57 -0.07 -2.23 0.00 0.00 178.31 176.58 1mxl h LEU 78 N 0.13 0.65 -1.68 0.59 3.38 -1.60 0.48 115.31 117.26 1mxl h LEU 78 Ca 0.13 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.40 1mxl h LEU 78 Cb 0.16 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1mxl h LEU 78 CO -0.20 0.13 0.51 0.58 0.09 0.00 0.00 178.44 179.55 1mxl h VAL 79 N 0.60 0.75 0.00 1.22 2.07 -1.37 0.51 116.25 120.03 1mxl h VAL 79 Ca 0.61 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 68.03 1mxl h VAL 79 Cb 1.11 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1mxl h VAL 79 CO -0.46 0.06 0.00 -0.03 0.02 0.00 0.00 177.57 177.16 1mxl h MET 80 N 0.31 0.00 0.00 1.57 4.05 -0.03 -2.81 114.93 118.03 1mxl h MET 80 Ca 0.37 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.42 1mxl h MET 80 Cb 0.99 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.72 1mxl h MET 80 CO -0.10 0.00 -2.33 -1.33 0.23 0.00 0.00 176.91 173.39 1mxl n MET 81 N -2.56 0.68 -0.04 0.39 2.00 0.17 -4.42 117.12 113.33 1mxl n MET 81 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 57.70 57.67 1mxl n MET 81 Cb 0.19 -1.55 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 1mxl n MET 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1mxl h VAL 82 N 0.00 1.05 0.00 2.03 2.07 -1.07 -1.10 116.25 119.24 1mxl h VAL 82 Ca -0.53 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1mxl h VAL 82 Cb 2.15 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1mxl h VAL 82 CO 0.01 0.05 0.41 0.03 0.02 0.00 0.00 177.57 178.09 1mxl h ARG 83 N 0.27 0.00 -0.02 1.57 3.08 -1.74 0.87 114.38 118.42 1mxl h ARG 83 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1mxl h ARG 83 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1mxl h ARG 83 CO -0.02 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.54 1mxl h MET 85 N 2.82 -0.09 -5.63 0.00 2.86 0.10 -3.32 114.93 111.67 1mxl h MET 85 Ca 0.00 0.01 -0.41 0.00 -2.06 0.00 0.00 59.70 57.24 1mxl h MET 85 Cb 0.78 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1mxl h MET 85 CO 0.00 -0.06 1.39 0.21 1.06 0.00 0.00 176.91 179.51 1mxl s LYS 86 N -3.45 2.10 -0.11 1.72 2.20 -1.26 -4.89 119.74 116.05 1mxl s LYS 86 Ca -0.03 1.17 -0.06 0.00 -0.36 0.00 0.00 55.97 56.69 1mxl s LYS 86 Cb 0.01 -4.60 0.05 0.00 -1.51 0.00 0.00 37.83 31.78 1mxl s LYS 86 CO 0.10 -3.37 0.27 0.34 -0.36 0.00 0.00 175.35 172.33 1mxl s ASP 87 N 11.51 -0.30 -0.12 1.43 2.15 -1.25 -5.13 116.67 124.95 1mxl s ASP 87 Ca 0.93 0.58 -0.12 0.00 0.43 0.00 0.00 52.55 54.36 1mxl s ASP 87 Cb -0.16 0.47 -0.05 0.00 -0.30 0.00 0.00 42.92 42.89 1mxl s ASP 87 CO 0.23 -0.16 0.27 -1.81 -0.17 0.00 0.00 175.17 173.52 1mxl s ASP 88 N 1.18 6.48 0.00 -0.34 1.11 -1.26 -5.23 116.67 118.61 1mxl s ASP 88 Ca -0.09 0.57 0.00 0.00 0.18 0.00 0.00 52.55 53.21 1mxl s ASP 88 Cb -0.09 -2.16 0.00 0.00 1.07 0.00 0.00 42.92 41.73 1mxl s ASP 88 CO -0.08 0.22 0.26 -0.24 1.18 0.00 0.00 175.17 176.51