#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 -4.08 -1.33 6.12 2.03 -1.26 -5.02 116.55 113.00 1mxl n ASP 2 Ca 0.00 1.30 -0.03 0.00 0.52 0.00 0.00 54.79 56.58 1mxl n ASP 2 Cb 0.00 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 35.92 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1mxl n ASP 3 N 1.45 -0.75 0.00 1.67 2.03 -1.26 -4.95 116.55 114.74 1mxl n ASP 3 Ca -0.19 -1.47 0.11 0.00 0.52 0.00 0.00 54.79 53.76 1mxl n ASP 3 Cb 0.30 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1mxl n ILE 4 N -0.36 0.02 -0.01 5.18 -0.00 -1.26 -3.86 119.36 119.08 1mxl n ILE 4 Ca -0.16 -0.07 -0.01 0.00 -0.00 0.00 0.00 62.75 62.52 1mxl n ILE 4 Cb 0.61 0.68 -0.00 0.00 -0.00 0.00 0.00 39.64 40.93 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1mxl n TYR 5 N -1.61 0.03 -0.33 1.39 4.01 -1.26 -3.55 117.16 115.85 1mxl n TYR 5 Ca 0.03 0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.93 1mxl n TYR 5 Cb 0.36 -0.15 0.36 0.00 -0.31 0.00 0.00 39.34 39.61 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 -0.09 0.68 -0.43 -0.72 1.57 -1.96 -0.12 116.57 115.49 1mxl h LYS 6 Ca 0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1mxl h LYS 6 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1mxl h LYS 6 CO 0.00 0.45 0.01 0.00 -0.57 0.00 0.00 179.45 179.34 1mxl h ALA 7 N 1.62 0.58 0.00 3.86 0.00 -1.79 -2.19 119.26 121.34 1mxl h ALA 7 Ca 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mxl h ALA 7 Cb 0.93 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1mxl h ALA 7 CO -0.31 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1mxl h ALA 8 N 0.91 1.00 0.01 0.00 0.00 -1.11 -3.06 119.26 117.02 1mxl h ALA 8 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1mxl h ALA 8 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mxl h ALA 8 CO 0.02 0.00 -0.45 0.28 0.00 0.00 0.00 179.25 179.10 1mxl h VAL 9 N 0.00 1.51 -0.17 0.00 2.07 -0.68 -3.32 116.25 115.66 1mxl h VAL 9 Ca 0.00 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.26 1mxl h VAL 9 Cb 0.30 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1mxl h VAL 9 CO 0.00 0.54 0.16 -0.08 0.02 0.00 0.00 177.57 178.21 1mxl h GLU 10 N -0.94 0.00 -0.28 1.57 4.81 -1.37 0.17 114.58 118.54 1mxl h GLU 10 Ca -0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1mxl h GLU 10 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1mxl h GLU 10 CO -0.05 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.27 1mxl n GLN 11 N -4.02 1.51 -1.65 1.92 6.02 -1.17 -4.92 117.38 115.07 1mxl n GLN 11 Ca 0.01 -0.69 -0.38 0.00 -0.01 0.00 0.00 57.00 55.94 1mxl n GLN 11 Cb 0.28 -1.22 0.06 0.00 1.02 0.00 0.00 30.24 30.38 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 0.06 4.39 -4.84 1.08 4.77 0.60 -4.96 117.00 118.10 1mxl n LEU 12 Ca 0.06 0.83 -0.35 0.00 -0.03 0.00 0.00 56.01 56.52 1mxl n LEU 12 Cb 0.20 -1.44 -0.06 0.00 -2.33 0.00 0.00 43.42 39.79 1mxl n LEU 12 CO 0.05 -1.54 0.26 0.42 -1.33 0.00 0.00 177.39 175.25 1mxl s THR 13 N -1.46 4.81 0.38 -5.08 -4.23 -1.26 -4.94 115.64 103.87 1mxl s THR 13 Ca 0.77 0.89 0.19 0.00 -1.18 0.00 0.00 61.69 62.36 1mxl s THR 13 Cb -0.41 -3.75 0.39 0.00 1.34 0.00 0.00 72.50 70.06 1mxl s THR 13 CO 0.46 0.23 1.72 -0.08 -0.54 0.00 0.00 174.62 176.41 1mxl h GLU 14 N 3.51 0.35 -0.00 3.99 4.81 -2.00 -0.11 114.58 125.12 1mxl h GLU 14 Ca -0.48 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1mxl h GLU 14 Cb 1.19 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1mxl h GLU 14 CO 0.66 0.23 -0.31 0.93 -0.73 0.00 0.00 179.01 179.79 1mxl h GLU 15 N 0.36 0.21 -0.63 1.92 3.07 -2.01 -3.30 114.58 114.19 1mxl h GLU 15 Ca 0.67 -0.23 0.13 0.00 -0.50 0.00 0.00 59.36 59.42 1mxl h GLU 15 Cb 1.68 0.06 -0.09 0.00 -0.84 0.00 0.00 28.75 29.56 1mxl h GLU 15 CO -0.40 0.95 0.12 0.37 -1.40 0.00 0.00 179.01 178.66 1mxl h GLN 16 N -0.43 0.24 -0.98 2.33 4.15 -1.43 0.10 115.11 119.08 1mxl h GLN 16 Ca -0.04 -0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.60 1mxl h GLN 16 Cb 1.05 -0.05 -0.08 0.00 0.21 0.00 0.00 27.48 28.61 1mxl h GLN 16 CO 0.06 0.16 0.64 -0.22 -1.93 0.00 0.00 178.83 177.53 1mxl h LYS 17 N 0.24 0.43 0.00 1.69 1.63 -1.40 0.52 116.57 119.69 1mxl h LYS 17 Ca 0.34 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 60.04 1mxl h LYS 17 Cb 0.53 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1mxl h LYS 17 CO -0.44 0.28 -0.37 -0.91 -3.45 0.00 0.00 179.45 174.56 1mxl h ASN 18 N 0.44 0.00 0.28 4.20 2.35 -0.89 -2.82 115.58 119.14 1mxl h ASN 18 Ca 0.54 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 56.15 1mxl h ASN 18 Cb 1.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.66 1mxl h ASN 18 CO -0.25 0.37 -0.55 -0.08 -1.65 0.00 0.00 177.43 175.27 1mxl h GLU 19 N 0.00 0.29 -0.07 0.81 4.81 0.25 -3.22 114.58 117.44 1mxl h GLU 19 Ca -0.00 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 1mxl h GLU 19 Cb 0.81 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.21 1mxl h GLU 19 CO 0.05 0.77 -0.39 0.74 -0.73 0.00 0.00 179.01 179.44 1mxl h PHE 20 N 0.22 0.54 -1.25 0.92 0.04 -1.26 -3.11 116.94 113.04 1mxl h PHE 20 Ca 0.00 -0.24 0.36 0.00 2.80 0.00 0.00 57.97 60.89 1mxl h PHE 20 Cb 1.04 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 39.06 1mxl h PHE 20 CO 0.02 1.00 1.15 0.87 -0.60 0.00 0.00 178.31 180.75 1mxl h LYS 21 N -0.08 0.00 0.08 1.51 1.79 -1.51 -1.07 116.57 117.29 1mxl h LYS 21 Ca -0.03 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1mxl h LYS 21 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1mxl h LYS 21 CO 0.08 0.00 -0.04 0.00 -1.08 0.00 0.00 179.45 178.41 1mxl h ALA 22 N 0.88 -0.58 -0.08 3.86 0.00 -1.64 -1.10 119.26 120.59 1mxl h ALA 22 Ca 0.59 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.50 1mxl h ALA 22 Cb 2.88 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.71 1mxl h ALA 22 CO -0.01 -0.57 0.37 0.00 0.00 0.00 0.00 179.25 179.05 1mxl h ALA 23 N -1.89 1.51 0.17 0.00 0.00 -1.38 0.19 119.26 117.86 1mxl h ALA 23 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.60 1mxl h ALA 23 Cb 0.08 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1mxl h ALA 23 CO 0.02 -0.42 -1.33 0.35 0.00 0.00 0.00 179.25 177.87 1mxl h PHE 24 N 0.00 0.68 -0.17 0.00 3.57 -1.19 -2.26 116.94 117.56 1mxl h PHE 24 Ca 0.04 -0.50 -0.07 0.00 3.53 0.00 0.00 57.97 60.97 1mxl h PHE 24 Cb 0.79 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1mxl h PHE 24 CO 0.00 1.39 -0.20 -0.44 -2.23 0.00 0.00 178.31 176.83 1mxl h ASP 25 N 0.10 0.29 0.21 0.41 3.32 0.72 -3.05 116.42 118.42 1mxl h ASP 25 Ca -0.18 -0.08 -0.33 0.00 0.02 0.00 0.00 57.03 56.47 1mxl h ASP 25 Cb 2.04 -0.08 0.02 0.00 0.22 0.00 0.00 39.33 41.54 1mxl h ASP 25 CO 0.23 0.51 -1.53 0.40 -1.72 0.00 0.00 179.24 177.13 1mxl h ILE 26 N 0.28 1.14 0.00 0.35 5.03 -1.55 -2.33 117.51 120.43 1mxl h ILE 26 Ca 0.05 -2.59 0.00 0.00 -0.12 0.00 0.00 64.86 62.20 1mxl h ILE 26 Cb 0.51 2.92 0.00 0.00 -3.03 0.00 0.00 36.82 37.23 1mxl h ILE 26 CO 0.03 0.81 0.17 -0.26 -0.68 0.00 0.00 178.15 178.22 1mxl h PHE 27 N 0.05 0.00 0.00 1.37 -1.00 -1.32 0.35 116.94 116.39 1mxl h PHE 27 Ca -0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1mxl h PHE 27 Cb 2.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.63 1mxl h PHE 27 CO 0.12 0.00 0.00 1.33 -1.61 0.00 0.00 178.31 178.15 1mxl n VAL 28 N -2.68 0.50 0.21 -0.55 0.24 -1.16 -4.45 118.33 110.44 1mxl n VAL 28 Ca -0.02 -0.75 0.17 0.00 -2.04 0.00 0.00 64.34 61.70 1mxl n VAL 28 Cb 0.21 0.75 0.69 0.00 -1.47 0.00 0.00 33.84 34.02 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 0.00 -0.37 1.34 6.46 -0.33 0.98 115.31 123.38 1mxl h LEU 29 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1mxl h LEU 29 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1mxl h LEU 29 CO 0.00 0.00 -0.77 0.61 -0.62 0.00 0.00 178.44 177.66 1mxl n GLY 30 N -1.38 -0.63 3.98 3.75 0.00 -1.26 -4.95 105.19 104.69 1mxl n GLY 30 Ca 0.03 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.80 4.05 -0.03 4.61 0.00 0.34 -5.00 121.76 122.92 1mxl s ALA 31 Ca 0.12 -1.35 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1mxl s ALA 31 Cb 0.17 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1mxl s ALA 31 CO 0.75 -0.40 -0.02 0.39 0.00 0.00 0.00 175.76 176.47 1mxl n GLU 32 N -2.02 0.70 -0.09 0.00 4.71 -1.26 -4.70 120.64 117.97 1mxl n GLU 32 Ca 0.04 0.02 -0.11 0.00 -0.01 0.00 0.00 57.16 57.10 1mxl n GLU 32 Cb 0.59 -1.07 0.02 0.00 -1.01 0.00 0.00 31.44 29.97 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1mxl h ASP 33 N 0.00 0.89 0.00 1.62 5.19 -1.96 -3.47 116.42 118.69 1mxl h ASP 33 Ca -0.07 -0.40 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1mxl h ASP 33 Cb 1.12 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1mxl h ASP 33 CO -0.01 1.16 0.00 0.61 -3.12 0.00 0.00 179.24 177.88 1mxl n GLY 34 N 0.07 0.92 3.48 2.75 0.00 -1.26 -5.16 105.19 105.99 1mxl n GLY 34 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.19 2.59 -0.15 0.00 1.01 -0.90 -4.52 121.20 116.04 1mxl s ILE 36 Ca 0.31 -2.27 0.08 0.00 0.00 0.00 0.00 60.65 58.76 1mxl s ILE 36 Cb 0.00 -2.47 0.21 0.00 0.01 0.00 0.00 42.46 40.21 1mxl s ILE 36 CO 0.19 -0.35 1.24 -0.24 0.00 0.00 0.00 174.94 175.79 1mxl n SER 37 N -0.71 -0.99 0.00 3.58 2.88 -1.26 -2.85 113.62 114.26 1mxl n SER 37 Ca -0.05 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 1mxl n SER 37 Cb 0.61 0.40 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.65 0.00 -0.31 2.46 -2.24 -1.26 -4.50 114.28 107.78 1mxl n THR 38 Ca -0.21 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 61.89 1mxl n THR 38 Cb 0.80 0.00 0.70 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.08 0.00 -0.78 3.64 -1.97 1.57 116.57 119.12 1mxl h LYS 39 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1mxl h LYS 39 Cb 0.00 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1mxl h LYS 39 CO 0.00 0.05 -1.08 0.93 -2.27 0.00 0.00 179.45 177.08 1mxl h GLU 40 N 0.08 0.00 0.24 1.90 3.07 -1.82 -3.37 114.58 114.68 1mxl h GLU 40 Ca 0.56 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.41 1mxl h GLU 40 Cb 2.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.96 1mxl h GLU 40 CO -0.07 0.12 -0.12 1.25 -1.40 0.00 0.00 179.01 178.79 1mxl h LEU 41 N 0.00 -0.28 -0.98 1.33 5.85 0.19 -3.31 115.31 118.12 1mxl h LEU 41 Ca -0.06 -0.02 0.30 0.00 0.84 0.00 0.00 57.88 58.94 1mxl h LEU 41 Cb 1.22 0.07 -0.18 0.00 0.37 0.00 0.00 40.66 42.14 1mxl h LEU 41 CO 0.02 0.19 0.16 1.23 -0.34 0.00 0.00 178.44 179.70 1mxl h GLY 42 N -1.08 1.49 0.06 3.75 0.00 -1.03 1.35 103.07 107.62 1mxl h GLY 42 Ca -0.03 0.07 0.21 0.00 0.00 0.00 0.00 47.33 47.57 1mxl h GLY 42 CO 0.05 -0.57 0.61 0.50 0.00 0.00 0.00 176.54 177.14 1mxl h LYS 43 N 0.03 0.68 0.03 4.80 6.56 -1.72 0.15 116.57 127.10 1mxl h LYS 43 Ca 0.65 -0.04 -0.22 0.00 -1.06 0.00 0.00 60.65 59.98 1mxl h LYS 43 Cb 1.45 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.94 1mxl h LYS 43 CO -0.86 0.45 -1.02 0.28 -2.06 0.00 0.00 179.45 176.23 1mxl h VAL 44 N 0.70 1.61 0.26 0.50 2.07 0.16 -3.31 116.25 118.24 1mxl h VAL 44 Ca 0.59 -3.12 -0.00 0.00 0.82 0.00 0.00 66.70 64.99 1mxl h VAL 44 Cb 1.01 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.52 1mxl h VAL 44 CO -0.39 0.90 -0.41 0.24 0.02 0.00 0.00 177.57 177.93 1mxl h MET 45 N 0.04 -0.68 -0.33 1.57 2.86 0.51 0.34 114.93 119.25 1mxl h MET 45 Ca -0.05 0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1mxl h MET 45 Cb 1.74 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 1mxl h MET 45 CO 0.15 -0.45 0.49 0.07 1.06 0.00 0.00 176.91 178.23 1mxl h ARG 46 N -0.70 0.00 0.19 1.72 0.11 -0.99 0.10 114.38 114.81 1mxl h ARG 46 Ca -0.03 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.74 1mxl h ARG 46 Cb 0.65 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.75 1mxl h ARG 46 CO -0.13 0.00 -1.36 0.52 0.10 0.00 0.00 179.97 179.10 1mxl h MET 47 N 0.00 0.45 0.00 0.08 2.86 -1.09 -3.17 114.93 114.06 1mxl h MET 47 Ca 0.16 -0.74 0.00 0.00 -2.06 0.00 0.00 59.70 57.06 1mxl h MET 47 Cb 1.14 0.27 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1mxl h MET 47 CO -0.00 1.35 0.00 1.28 1.06 0.00 0.00 176.91 180.60 1mxl n LEU 48 N -3.66 0.00 0.00 1.22 4.77 0.30 -4.80 117.00 114.83 1mxl n LEU 48 Ca -0.13 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1mxl n LEU 48 Cb 1.06 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1mxl n LEU 48 CO 0.58 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1mxl n GLY 49 N 0.23 1.09 0.92 -0.72 0.00 -1.07 -5.08 105.19 100.55 1mxl n GLY 49 Ca 0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.92 0.26 -2.81 1.61 6.02 -0.88 -5.01 117.38 114.65 1mxl n GLN 50 Ca 0.00 -0.95 0.00 0.00 -0.01 0.00 0.00 57.00 56.04 1mxl n GLN 50 Cb 0.00 0.72 0.01 0.00 1.02 0.00 0.00 30.24 32.00 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mxl s ASN 51 N -1.67 -0.56 0.37 1.08 2.20 -1.26 -1.83 114.94 113.27 1mxl s ASN 51 Ca 0.10 -0.38 -0.25 0.00 -0.94 0.00 0.00 52.86 51.39 1mxl s ASN 51 Cb 0.00 0.73 -0.09 0.00 -2.00 0.00 0.00 41.25 39.89 1mxl s ASN 51 CO 0.07 -0.05 1.02 -2.16 -2.94 0.00 0.00 177.10 173.04 1mxl s PRO 52 N 1.68 4.32 1.11 3.55 0.04 -1.26 -5.04 135.00 139.40 1mxl s PRO 52 Ca 0.17 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 1mxl s PRO 52 Cb 0.04 -2.65 0.24 0.00 0.04 0.00 0.00 34.50 32.17 1mxl s PRO 52 CO -0.12 0.01 1.09 0.95 0.04 0.00 0.00 177.00 178.97 1mxl s THR 53 N -1.63 1.82 -0.03 1.26 -4.23 -1.26 -4.75 115.64 106.82 1mxl s THR 53 Ca 0.55 0.00 0.31 0.00 -1.18 0.00 0.00 61.69 61.37 1mxl s THR 53 Cb -0.21 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.51 1mxl s THR 53 CO 0.27 0.00 1.92 1.55 -0.54 0.00 0.00 174.62 177.82 1mxl h PRO 54 N -2.28 0.00 0.18 3.99 0.13 -2.00 -1.68 132.00 130.34 1mxl h PRO 54 Ca -0.51 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.32 1mxl h PRO 54 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 1mxl h PRO 54 CO 0.47 0.00 -1.40 1.49 -0.23 0.00 0.00 178.00 178.33 1mxl h GLU 55 N 0.00 0.38 0.00 0.86 4.22 -2.04 -3.32 114.58 114.68 1mxl h GLU 55 Ca 0.00 -0.65 -0.07 0.00 0.08 0.00 0.00 59.36 58.72 1mxl h GLU 55 Cb 0.38 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1mxl h GLU 55 CO 0.00 1.31 -0.33 1.49 -2.18 0.00 0.00 179.01 179.30 1mxl h GLU 56 N -0.09 0.00 0.02 1.92 4.57 -1.86 -3.33 114.58 115.81 1mxl h GLU 56 Ca -0.27 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.92 1mxl h GLU 56 Cb 1.94 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.50 1mxl h GLU 56 CO 0.17 0.33 -0.28 -0.07 -1.18 0.00 0.00 179.01 177.99 1mxl h LEU 57 N 0.00 -0.85 -1.84 1.64 3.38 -1.41 0.96 115.31 117.19 1mxl h LEU 57 Ca -0.00 0.09 0.52 0.00 0.09 0.00 0.00 57.88 58.58 1mxl h LEU 57 Cb 1.03 0.32 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 1mxl h LEU 57 CO 0.04 -0.28 1.37 -0.61 0.09 0.00 0.00 178.44 179.06 1mxl h GLN 58 N -0.36 0.00 0.00 1.13 -0.00 -1.72 2.06 115.11 116.22 1mxl h GLN 58 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1mxl h GLN 58 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.86 1mxl h GLN 58 CO -0.17 0.00 -0.00 1.49 0.00 0.00 0.00 178.83 180.14 1mxl h GLU 59 N 0.00 0.00 0.06 1.69 4.81 -0.98 0.19 114.58 120.35 1mxl h GLU 59 Ca 0.85 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.84 1mxl h GLU 59 Cb 3.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.95 1mxl h GLU 59 CO -0.01 0.00 -1.14 0.52 -0.73 0.00 0.00 179.01 177.65 1mxl h MET 60 N 0.00 0.12 0.00 1.92 2.86 0.33 -2.81 114.93 117.35 1mxl h MET 60 Ca -0.00 -0.20 -0.16 0.00 -2.06 0.00 0.00 59.70 57.27 1mxl h MET 60 Cb 0.01 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1mxl h MET 60 CO 0.00 1.08 -1.28 0.82 1.06 0.00 0.00 176.91 178.59 1mxl h ILE 61 N 0.03 0.59 0.00 -1.22 5.03 -1.26 -3.35 117.51 117.33 1mxl h ILE 61 Ca -0.08 -2.08 -0.20 0.00 -0.12 0.00 0.00 64.86 62.38 1mxl h ILE 61 Cb 1.87 2.12 -0.03 0.00 -3.03 0.00 0.00 36.82 37.75 1mxl h ILE 61 CO 0.16 0.33 -1.00 -0.78 -0.68 0.00 0.00 178.15 176.18 1mxl h ASP 62 N 0.00 0.00 -0.11 1.72 1.82 -0.77 -3.17 116.42 115.91 1mxl h ASP 62 Ca -0.14 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.53 1mxl h ASP 62 Cb 1.57 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 1mxl h ASP 62 CO 0.05 0.93 0.26 -0.08 -1.61 0.00 0.00 179.24 178.80 1mxl h GLU 63 N 0.00 0.00 -0.83 0.28 4.81 -1.63 -2.53 114.58 114.69 1mxl h GLU 63 Ca -0.03 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.85 1mxl h GLU 63 Cb 1.74 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.72 1mxl h GLU 63 CO 0.12 0.00 -1.11 1.33 -0.73 0.00 0.00 179.01 178.62 1mxl n VAL 64 N -3.28 1.30 -4.02 0.32 0.24 -1.22 -4.96 118.33 106.71 1mxl n VAL 64 Ca 0.00 -3.24 -0.30 0.00 -2.04 0.00 0.00 64.34 58.76 1mxl n VAL 64 Cb 0.35 0.62 -0.16 0.00 -1.47 0.00 0.00 33.84 33.18 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 -3.43 2.68 -0.13 -1.34 -1.08 -0.96 -4.64 116.67 107.77 1mxl s ASP 65 Ca 0.30 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 52.01 1mxl s ASP 65 Cb 0.40 -1.17 0.39 0.00 -1.46 0.00 0.00 42.92 41.08 1mxl s ASP 65 CO -0.01 -0.06 1.28 -0.62 0.52 0.00 0.00 175.17 176.28 1mxl n GLU 66 N 4.78 2.33 0.00 4.34 1.02 -1.26 -4.62 120.64 127.23 1mxl n GLU 66 Ca -0.17 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 1mxl n GLU 66 Cb 0.50 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 -0.76 2.62 0.00 1.62 5.68 -1.26 -5.03 116.55 119.42 1mxl n ASP 67 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1mxl n ASP 67 Cb 0.72 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.92 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 2.01 0.79 0.22 6.12 0.00 -1.26 -4.95 105.19 108.11 1mxl n GLY 68 Ca 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1mxl h SER 69 CO 0.00 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1mxl n GLY 70 N 0.06 0.83 3.32 -0.77 0.00 -1.26 -5.02 105.19 102.34 1mxl n GLY 70 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.25 1.60 0.07 2.61 -4.23 -1.26 -4.55 115.64 106.63 1mxl s THR 71 Ca 0.00 -2.13 0.09 0.00 -1.18 0.00 0.00 61.69 58.47 1mxl s THR 71 Cb 0.00 -1.96 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 1mxl s THR 71 CO 0.00 -0.60 -0.25 -0.69 -0.54 0.00 0.00 174.62 172.54 1mxl s VAL 72 N -2.93 2.04 0.05 2.29 1.01 -1.13 -4.86 120.40 116.86 1mxl s VAL 72 Ca 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1mxl s VAL 72 Cb -0.01 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1mxl s VAL 72 CO 0.05 0.23 0.02 0.47 0.00 0.00 0.00 175.10 175.87 1mxl n ASP 73 N 1.50 0.89 0.08 3.32 8.00 -1.26 -2.12 116.55 126.96 1mxl n ASP 73 Ca -0.17 -1.25 0.06 0.00 0.71 0.00 0.00 54.79 54.13 1mxl n ASP 73 Cb 0.53 0.12 0.30 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.10 0.36 -0.03 1.24 7.35 -1.26 -0.97 117.46 124.05 1mxl n PHE 74 Ca -0.01 0.18 -0.01 0.00 -0.76 0.00 0.00 57.45 56.85 1mxl n PHE 74 Cb 0.07 -0.79 -0.00 0.00 0.35 0.00 0.00 39.48 39.10 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 -0.35 -2.13 3.58 -2.00 -3.17 116.42 112.35 1mxl h ASP 75 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1mxl h ASP 75 Cb 0.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1mxl h ASP 75 CO 0.00 0.30 0.16 -0.33 -2.88 0.00 0.00 179.24 176.50 1mxl h GLU 76 N -0.47 0.57 0.86 0.28 5.08 -1.80 -2.92 114.58 116.18 1mxl h GLU 76 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1mxl h GLU 76 Cb 0.14 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1mxl h GLU 76 CO 0.00 0.47 -0.41 0.35 -1.00 0.00 0.00 179.01 178.42 1mxl h PHE 77 N 0.57 -1.07 -0.96 4.33 3.04 -1.24 -0.44 116.94 121.17 1mxl h PHE 77 Ca 0.14 -0.03 0.30 0.00 3.98 0.00 0.00 57.97 62.36 1mxl h PHE 77 Cb 0.11 0.35 -0.15 0.00 2.56 0.00 0.00 35.95 38.82 1mxl h PHE 77 CO 0.01 -0.66 0.41 -0.07 -2.02 0.00 0.00 178.31 175.97 1mxl h LEU 78 N -1.24 0.25 -0.99 0.59 3.38 -1.50 1.32 115.31 117.12 1mxl h LEU 78 Ca -0.12 0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1mxl h LEU 78 Cb 0.88 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1mxl h LEU 78 CO 0.19 -0.19 -0.46 0.58 0.09 0.00 0.00 178.44 178.66 1mxl h VAL 79 N 0.23 1.33 0.00 1.22 2.07 -1.31 -2.39 116.25 117.41 1mxl h VAL 79 Ca 0.67 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1mxl h VAL 79 Cb 1.51 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1mxl h VAL 79 CO -0.66 0.47 0.00 -0.03 0.02 0.00 0.00 177.57 177.37 1mxl h MET 80 N 0.09 0.00 0.00 1.57 1.85 0.34 -2.61 114.93 116.17 1mxl h MET 80 Ca 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 1mxl h MET 80 Cb 0.84 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.87 1mxl h MET 80 CO 0.06 0.00 -1.10 -1.33 -0.40 0.00 0.00 176.91 174.14 1mxl n MET 81 N -2.31 0.61 0.08 0.39 2.00 -0.74 -4.17 117.12 112.98 1mxl n MET 81 Ca 0.02 0.11 -0.22 0.00 0.00 0.00 0.00 57.70 57.61 1mxl n MET 81 Cb 0.26 -1.81 -0.15 0.00 0.00 0.00 0.00 33.22 31.52 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 1.26 -1.05 2.03 2.07 -1.39 -3.11 116.25 116.06 1mxl h VAL 82 Ca -0.02 -2.57 0.28 0.00 0.82 0.00 0.00 66.70 65.21 1mxl h VAL 82 Cb 1.05 3.00 -0.08 0.00 -1.52 0.00 0.00 31.29 33.74 1mxl h VAL 82 CO 0.00 0.77 0.70 0.03 0.02 0.00 0.00 177.57 179.09 1mxl h ARG 83 N -0.10 0.29 0.00 1.57 3.08 -1.69 0.69 114.38 118.22 1mxl h ARG 83 Ca -0.24 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 1mxl h ARG 83 Cb 1.92 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 1mxl h ARG 83 CO 0.19 0.19 -0.65 0.00 -1.07 0.00 0.00 179.97 178.63 1mxl s MET 85 N -3.02 3.80 -0.26 0.00 -1.94 0.24 -5.08 119.30 113.04 1mxl s MET 85 Ca 0.03 0.76 -0.26 0.00 -1.71 0.00 0.00 55.69 54.51 1mxl s MET 85 Cb 0.08 -2.18 0.12 0.00 2.01 0.00 0.00 34.83 34.85 1mxl s MET 85 CO 0.75 -0.30 1.01 -1.59 -0.01 0.00 0.00 175.02 174.87 1mxl s LYS 86 N -4.37 0.54 -0.97 2.03 -2.85 -1.26 -4.93 119.74 107.92 1mxl s LYS 86 Ca 0.56 0.56 -0.06 0.00 -1.00 0.00 0.00 55.97 56.02 1mxl s LYS 86 Cb -0.10 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1mxl s LYS 86 CO 0.38 -0.08 0.84 -3.47 0.10 0.00 0.00 175.35 173.12 1mxl n ASP 87 N 2.02 -6.75 -3.83 0.03 -0.08 -1.26 -4.96 116.55 101.72 1mxl n ASP 87 Ca -0.12 -0.59 -0.28 0.00 -1.51 0.00 0.00 54.79 52.29 1mxl n ASP 87 Cb 0.56 -4.92 -0.11 0.00 2.34 0.00 0.00 41.12 38.99 1mxl n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mxl n ASP 88 N -2.76 3.25 -0.74 1.67 8.00 -1.26 -5.33 116.55 119.38 1mxl n ASP 88 Ca -0.06 -3.26 0.13 0.00 0.71 0.00 0.00 54.79 52.31 1mxl n ASP 88 Cb 0.59 -0.76 0.30 0.00 -0.02 0.00 0.00 41.12 41.22 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57