#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 2.72 -0.92 7.83 1.01 -1.26 -5.07 116.67 120.98 1mxl s ASP 2 Ca 0.00 -0.75 -0.12 0.00 0.71 0.00 0.00 52.55 52.39 1mxl s ASP 2 Cb 0.00 -0.48 0.24 0.00 1.01 0.00 0.00 42.92 43.69 1mxl s ASP 2 CO 0.00 -0.32 0.88 -0.62 0.21 0.00 0.00 175.17 175.32 1mxl s ASP 3 N 1.95 6.92 -0.15 0.27 2.15 -1.26 -4.85 116.67 121.70 1mxl s ASP 3 Ca 0.00 -3.00 -0.12 0.00 0.43 0.00 0.00 52.55 49.86 1mxl s ASP 3 Cb -0.17 -2.20 -0.07 0.00 -0.30 0.00 0.00 42.92 40.18 1mxl s ASP 3 CO -0.08 -0.47 -0.04 0.40 -0.17 0.00 0.00 175.17 174.81 1mxl h ILE 4 N 4.41 0.28 0.11 4.11 2.04 -1.98 -3.28 117.51 123.20 1mxl h ILE 4 Ca 0.13 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1mxl h ILE 4 Cb 0.98 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1mxl h ILE 4 CO 0.84 0.09 -0.26 1.88 0.00 0.00 0.00 178.15 180.70 1mxl h TYR 5 N -1.00 -0.76 -1.32 1.37 0.05 -1.97 0.28 116.97 113.62 1mxl h TYR 5 Ca -0.09 0.02 0.39 0.00 0.05 0.00 0.00 58.73 59.10 1mxl h TYR 5 Cb 0.67 0.32 -0.09 0.00 1.01 0.00 0.00 36.73 38.63 1mxl h TYR 5 CO -0.10 -0.31 0.90 0.87 -1.05 0.00 0.00 178.16 178.47 1mxl h LYS 6 N -0.41 0.12 -0.10 4.88 1.57 -1.97 1.12 116.57 121.78 1mxl h LYS 6 Ca -0.01 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 1mxl h LYS 6 Cb 0.40 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1mxl h LYS 6 CO -0.12 0.08 -0.63 0.00 -0.57 0.00 0.00 179.45 178.21 1mxl h ALA 7 N 1.46 0.73 -0.05 3.86 0.00 -1.10 -3.06 119.26 121.10 1mxl h ALA 7 Ca 0.72 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1mxl h ALA 7 Cb 2.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 20.16 1mxl h ALA 7 CO -0.21 0.73 -0.67 0.00 0.00 0.00 0.00 179.25 179.11 1mxl h ALA 8 N 1.06 0.15 -0.54 0.00 0.00 0.31 -3.27 119.26 116.97 1mxl h ALA 8 Ca -0.01 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.42 1mxl h ALA 8 Cb 1.17 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1mxl h ALA 8 CO 0.11 0.45 0.12 0.28 0.00 0.00 0.00 179.25 180.21 1mxl h VAL 9 N 0.13 0.70 0.00 0.00 2.07 -1.13 0.45 116.25 118.47 1mxl h VAL 9 Ca -0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1mxl h VAL 9 Cb 1.34 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1mxl h VAL 9 CO 0.13 0.05 0.09 -0.33 0.02 0.00 0.00 177.57 177.53 1mxl h GLU 10 N 0.26 0.00 -0.45 1.57 5.08 -1.58 0.26 114.58 119.72 1mxl h GLU 10 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1mxl h GLU 10 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1mxl h GLU 10 CO -0.35 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.70 1mxl n GLN 11 N -2.28 2.97 -2.26 2.33 3.00 0.15 -4.99 117.38 116.31 1mxl n GLN 11 Ca -0.01 -2.38 -0.41 0.00 -0.01 0.00 0.00 57.00 54.19 1mxl n GLN 11 Cb 0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 1mxl n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mxl s LEU 12 N -1.34 4.45 0.26 1.08 1.43 0.90 -4.99 118.68 120.48 1mxl s LEU 12 Ca 0.34 2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 55.58 1mxl s LEU 12 Cb 0.20 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1mxl s LEU 12 CO 0.19 -0.44 0.97 0.42 0.23 0.00 0.00 176.35 177.73 1mxl s THR 13 N -0.47 3.96 0.50 5.49 -4.23 -1.26 -4.90 115.64 114.73 1mxl s THR 13 Ca 0.52 1.92 0.33 0.00 -1.18 0.00 0.00 61.69 63.28 1mxl s THR 13 Cb -0.36 -4.20 0.52 0.00 1.34 0.00 0.00 72.50 69.81 1mxl s THR 13 CO 0.42 0.41 1.76 1.05 -0.54 0.00 0.00 174.62 177.73 1mxl h GLU 14 N 3.91 0.10 0.59 3.99 4.11 -1.99 -1.32 114.58 123.96 1mxl h GLU 14 Ca -0.46 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.94 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 0.67 0.06 -0.28 0.93 0.07 0.00 0.00 179.01 180.47 1mxl h GLU 15 N 0.10 -0.76 -1.05 1.06 5.08 -1.99 -1.19 114.58 115.83 1mxl h GLU 15 Ca 0.62 0.05 0.30 0.00 -1.00 0.00 0.00 59.36 59.34 1mxl h GLU 15 Cb 2.23 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 31.61 1mxl h GLU 15 CO -0.11 -0.49 0.75 0.37 -1.00 0.00 0.00 179.01 178.53 1mxl h GLN 16 N -1.18 0.04 0.10 2.33 5.75 -1.64 0.29 115.11 120.81 1mxl h GLN 16 Ca -0.08 -0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.15 1mxl h GLN 16 Cb 0.63 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.17 1mxl h GLN 16 CO 0.13 0.03 -1.17 -0.22 -2.65 0.00 0.00 178.83 174.95 1mxl h LYS 17 N 0.04 0.33 0.00 1.69 3.11 -1.29 -3.14 116.57 117.31 1mxl h LYS 17 Ca 0.51 -0.49 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1mxl h LYS 17 Cb 1.95 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 33.35 1mxl h LYS 17 CO -0.04 1.20 0.00 -0.91 -2.81 0.00 0.00 179.45 176.90 1mxl h ASN 18 N 0.12 0.00 0.00 4.20 2.35 0.86 -1.12 115.58 121.99 1mxl h ASN 18 Ca -0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1mxl h ASN 18 Cb 1.87 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.23 1mxl h ASN 18 CO 0.20 0.00 -0.53 -0.33 -1.65 0.00 0.00 177.43 175.12 1mxl h GLU 19 N 0.00 0.00 -0.37 0.81 5.08 -1.44 -3.36 114.58 115.31 1mxl h GLU 19 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1mxl h GLU 19 Cb 0.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1mxl h GLU 19 CO 0.00 0.79 0.04 0.74 -1.00 0.00 0.00 179.01 179.59 1mxl h PHE 20 N -1.00 0.57 -1.08 4.33 0.04 -1.49 -2.60 116.94 115.71 1mxl h PHE 20 Ca -0.13 -0.05 0.36 0.00 2.80 0.00 0.00 57.97 60.95 1mxl h PHE 20 Cb 0.96 -0.17 -0.14 0.00 2.20 0.00 0.00 35.95 38.80 1mxl h PHE 20 CO 0.13 0.53 0.64 0.87 -0.60 0.00 0.00 178.31 179.88 1mxl h LYS 21 N 0.54 0.22 0.26 1.51 1.79 -1.35 0.20 116.57 119.74 1mxl h LYS 21 Ca 0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1mxl h LYS 21 Cb 0.28 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1mxl h LYS 21 CO 0.00 0.15 -0.28 0.00 -1.08 0.00 0.00 179.45 178.24 1mxl h ALA 22 N 1.79 -0.57 -0.50 3.86 0.00 -1.64 -1.26 119.26 120.94 1mxl h ALA 22 Ca 0.76 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.60 1mxl h ALA 22 Cb 1.96 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 20.13 1mxl h ALA 22 CO -0.55 -0.86 0.32 0.00 0.00 0.00 0.00 179.25 178.16 1mxl h ALA 23 N 0.04 0.64 -0.87 0.00 0.00 -0.81 -1.47 119.26 116.79 1mxl h ALA 23 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1mxl h ALA 23 Cb 0.54 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1mxl h ALA 23 CO -0.07 0.05 0.57 0.35 0.00 0.00 0.00 179.25 180.15 1mxl h PHE 24 N 0.64 0.58 0.42 0.00 3.57 -0.86 0.85 116.94 122.14 1mxl h PHE 24 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1mxl h PHE 24 Cb -0.04 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1mxl h PHE 24 CO -0.05 0.18 -0.20 0.22 -2.23 0.00 0.00 178.31 176.23 1mxl h ASP 25 N 0.46 -0.47 0.29 0.41 3.58 -0.15 -2.65 116.42 117.89 1mxl h ASP 25 Ca 0.45 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1mxl h ASP 25 Cb 1.02 0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1mxl h ASP 25 CO -0.17 -0.18 -0.07 0.40 -2.88 0.00 0.00 179.24 176.34 1mxl h ILE 26 N -0.77 0.43 0.00 2.25 5.03 -1.14 0.30 117.51 123.61 1mxl h ILE 26 Ca -0.06 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1mxl h ILE 26 Cb 0.53 1.24 -0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1mxl h ILE 26 CO 0.09 0.07 -0.06 -0.26 -0.68 0.00 0.00 178.15 177.31 1mxl h PHE 27 N 0.00 0.00 0.00 1.37 -1.00 -0.52 -3.15 116.94 113.64 1mxl h PHE 27 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1mxl h PHE 27 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1mxl h PHE 27 CO 0.00 0.06 -0.03 1.33 -1.61 0.00 0.00 178.31 178.06 1mxl n VAL 28 N -3.19 0.78 -0.31 -0.55 0.24 -0.58 -3.68 118.33 111.04 1mxl n VAL 28 Ca 0.00 -0.83 0.17 0.00 -2.04 0.00 0.00 64.34 61.65 1mxl n VAL 28 Cb 0.33 0.54 0.36 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.17 -3.48 1.34 6.46 -0.94 0.79 115.31 119.66 1mxl h LEU 29 Ca 0.00 0.20 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1mxl h LEU 29 Cb 0.75 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.88 1mxl h LEU 29 CO 0.00 -0.16 0.05 0.61 -0.62 0.00 0.00 178.44 178.32 1mxl n GLY 30 N -1.35 3.66 0.00 3.75 0.00 -1.26 -4.97 105.19 105.01 1mxl n GLY 30 Ca 0.25 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.08 0.00 0.00 4.61 0.00 0.27 -4.92 120.51 120.39 1mxl n ALA 31 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1mxl n ALA 31 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1mxl n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mxl n GLU 32 N 0.00 0.20 0.00 0.00 0.00 -1.26 -4.93 120.64 114.64 1mxl n GLU 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1mxl n GLU 32 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 31.44 30.82 1mxl n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1mxl n ASP 33 N -1.55 3.75 0.00 4.31 2.03 -1.26 -5.02 116.55 118.81 1mxl n ASP 33 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1mxl n ASP 33 Cb 0.12 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.99 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 2.24 0.08 0.00 0.27 0.00 -1.26 -5.17 105.19 101.35 1mxl n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.98 0.92 -0.23 0.00 1.01 -0.34 -4.39 121.20 117.18 1mxl s ILE 36 Ca 0.00 -1.47 0.14 0.00 0.00 0.00 0.00 60.65 59.32 1mxl s ILE 36 Cb 0.00 -1.17 0.36 0.00 0.01 0.00 0.00 42.46 41.66 1mxl s ILE 36 CO 0.00 -0.45 1.32 -0.24 0.00 0.00 0.00 174.94 175.57 1mxl n SER 37 N 0.88 -0.49 0.00 3.58 2.88 -1.26 -2.76 113.62 116.44 1mxl n SER 37 Ca -0.18 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 1mxl n SER 37 Cb 0.56 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 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 -0.89 0.00 -0.36 2.46 -2.24 -1.26 -4.47 114.28 107.52 1mxl n THR 38 Ca -0.12 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 61.91 1mxl n THR 38 Cb 0.85 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.32 0.00 -0.78 1.57 -1.95 2.25 116.57 117.98 1mxl h LYS 39 Ca 0.00 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 1mxl h LYS 39 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1mxl h LYS 39 CO 0.00 0.21 -1.91 0.39 -0.57 0.00 0.00 179.45 177.57 1mxl n GLU 40 N -4.82 0.65 -0.01 3.15 -0.58 -1.26 -3.92 120.64 113.85 1mxl n GLU 40 Ca 0.30 0.17 -0.10 0.00 -0.42 0.00 0.00 57.16 57.12 1mxl n GLU 40 Cb 1.02 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 30.11 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 -0.08 -1.79 -4.62 5.85 -0.41 -3.23 115.31 111.03 1mxl h LEU 41 Ca -0.35 -0.50 0.26 0.00 0.84 0.00 0.00 57.88 58.12 1mxl h LEU 41 Cb 2.01 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 43.01 1mxl h LEU 41 CO 0.06 0.60 0.66 1.23 -0.34 0.00 0.00 178.44 180.65 1mxl h GLY 42 N -0.91 0.38 -0.14 3.75 0.00 0.33 0.20 103.07 106.67 1mxl h GLY 42 Ca -0.01 -0.07 0.26 0.00 0.00 0.00 0.00 47.33 47.51 1mxl h GLY 42 CO 0.02 -0.02 0.66 1.70 0.00 0.00 0.00 176.54 178.90 1mxl h LYS 43 N 0.15 0.40 -0.14 4.80 3.64 -1.66 0.13 116.57 123.89 1mxl h LYS 43 Ca 0.48 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.70 1mxl h LYS 43 Cb 1.61 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 1mxl h LYS 43 CO -0.09 0.27 -0.41 0.28 -2.27 0.00 0.00 179.45 177.23 1mxl h VAL 44 N 0.42 1.35 -0.83 2.00 2.07 -0.76 -3.19 116.25 117.31 1mxl h VAL 44 Ca 0.60 -1.69 0.21 0.00 0.82 0.00 0.00 66.70 66.64 1mxl h VAL 44 Cb 1.48 2.04 -0.14 0.00 -1.52 0.00 0.00 31.29 33.15 1mxl h VAL 44 CO -0.32 0.51 0.16 0.24 0.02 0.00 0.00 177.57 178.18 1mxl h MET 45 N 0.16 0.18 -0.63 1.57 2.86 -0.77 2.38 114.93 120.67 1mxl h MET 45 Ca -0.01 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1mxl h MET 45 Cb 1.03 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.61 1mxl h MET 45 CO 0.09 0.12 0.39 0.00 1.06 0.00 0.00 176.91 178.56 1mxl h ARG 46 N 0.18 0.74 0.02 1.72 3.08 -1.46 0.13 114.38 118.79 1mxl h ARG 46 Ca 0.50 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 60.27 1mxl h ARG 46 Cb 0.96 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1mxl h ARG 46 CO -0.65 0.49 -1.14 1.98 -1.07 0.00 0.00 179.97 179.58 1mxl h MET 47 N 0.77 0.04 0.00 0.04 4.05 -0.47 -3.16 114.93 116.19 1mxl h MET 47 Ca 0.25 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1mxl h MET 47 Cb 0.02 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1mxl h MET 47 CO -0.10 0.97 0.00 -0.07 0.23 0.00 0.00 176.91 177.93 1mxl h LEU 48 N 0.01 0.00 0.00 3.39 -0.00 0.43 -3.44 115.31 115.70 1mxl h LEU 48 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1mxl h LEU 48 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.50 1mxl h LEU 48 CO 0.13 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.18 1mxl n GLY 49 N -1.14 1.98 0.00 0.83 0.00 -0.91 -5.03 105.19 100.91 1mxl n GLY 49 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.89 0.00 -2.66 1.61 1.13 0.41 -5.03 117.38 111.95 1mxl n GLN 50 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1mxl n GLN 50 Cb 0.00 0.00 0.05 0.00 0.11 0.00 0.00 30.24 30.40 1mxl n GLN 50 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1mxl n ASN 51 N -1.52 -1.26 -3.40 1.08 6.94 -1.26 -3.23 115.26 112.61 1mxl n ASN 51 Ca 0.00 -1.13 -0.24 0.00 -0.02 0.00 0.00 54.58 53.18 1mxl n ASN 51 Cb 0.00 0.65 0.20 0.00 -2.36 0.00 0.00 39.78 38.27 1mxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1mxl n PRO 52 N 2.15 -2.44 -3.00 -0.53 -0.04 -1.26 -5.05 135.00 124.83 1mxl n PRO 52 Ca 0.07 -1.48 -0.22 0.00 -0.04 0.00 0.00 63.50 61.82 1mxl n PRO 52 Cb 0.68 -1.30 0.01 0.00 -0.04 0.00 0.00 33.50 32.85 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 -2.78 3.90 -0.78 0.52 -4.23 -1.26 -4.98 115.64 106.04 1mxl s THR 53 Ca 0.59 -0.55 0.22 0.00 -1.18 0.00 0.00 61.69 60.77 1mxl s THR 53 Cb -0.05 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.57 1mxl s THR 53 CO 0.44 -0.29 1.68 -0.81 -0.54 0.00 0.00 174.62 175.11 1mxl n PRO 54 N -2.06 0.11 0.09 3.99 -0.04 -1.26 -2.52 135.00 133.30 1mxl n PRO 54 Ca 0.02 0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 63.59 1mxl n PRO 54 Cb 0.58 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 1mxl n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1mxl h GLU 55 N 0.00 0.23 0.00 0.54 4.39 -2.03 -3.33 114.58 114.38 1mxl h GLU 55 Ca 0.00 -0.40 -0.21 0.00 0.34 0.00 0.00 59.36 59.10 1mxl h GLU 55 Cb 0.42 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1mxl h GLU 55 CO 0.00 1.15 -1.24 1.49 -1.16 0.00 0.00 179.01 179.25 1mxl h GLU 56 N 0.06 0.00 0.03 2.33 4.81 -1.94 -3.37 114.58 116.50 1mxl h GLU 56 Ca -0.15 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1mxl h GLU 56 Cb 1.96 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.29 1mxl h GLU 56 CO 0.18 0.58 -0.53 -0.07 -0.73 0.00 0.00 179.01 178.44 1mxl h LEU 57 N 0.00 -1.64 -1.54 1.64 3.38 -1.60 0.29 115.31 115.85 1mxl h LEU 57 Ca -0.13 0.18 0.28 0.00 0.09 0.00 0.00 57.88 58.30 1mxl h LEU 57 Cb 1.74 0.62 -0.04 0.00 0.09 0.00 0.00 40.66 43.07 1mxl h LEU 57 CO 0.08 -0.53 0.97 -0.61 0.09 0.00 0.00 178.44 178.44 1mxl h GLN 58 N -0.70 0.00 -0.50 1.13 -0.00 -1.73 0.49 115.11 113.80 1mxl h GLN 58 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1mxl h GLN 58 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 1mxl h GLN 58 CO -0.34 0.00 0.18 1.49 0.00 0.00 0.00 178.83 180.16 1mxl h GLU 59 N 0.00 0.76 -0.21 1.69 4.22 -0.61 0.02 114.58 120.45 1mxl h GLU 59 Ca 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 1mxl h GLU 59 Cb 2.40 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.52 1mxl h GLU 59 CO -0.00 0.69 0.09 0.52 -2.18 0.00 0.00 179.01 178.12 1mxl h MET 60 N 0.67 0.29 0.01 1.92 2.86 0.00 -2.24 114.93 118.44 1mxl h MET 60 Ca 0.16 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1mxl h MET 60 Cb 0.23 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1mxl h MET 60 CO -0.01 0.24 -0.00 0.82 1.06 0.00 0.00 176.91 179.02 1mxl h ILE 61 N 0.29 1.57 -0.11 -1.22 5.03 -1.41 -3.23 117.51 118.43 1mxl h ILE 61 Ca 0.08 -2.08 0.03 0.00 -0.12 0.00 0.00 64.86 62.77 1mxl h ILE 61 Cb 0.06 2.92 -0.00 0.00 -3.03 0.00 0.00 36.82 36.77 1mxl h ILE 61 CO -0.01 0.51 0.33 -0.78 -0.68 0.00 0.00 178.15 177.52 1mxl h ASP 62 N -0.95 0.00 -0.45 1.72 1.82 -0.85 0.36 116.42 118.08 1mxl h ASP 62 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1mxl h ASP 62 Cb 0.85 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 1mxl h ASP 62 CO 0.00 0.00 0.19 -0.08 -1.61 0.00 0.00 179.24 177.75 1mxl h GLU 63 N 0.00 0.71 -2.15 0.28 4.81 -1.42 -3.25 114.58 113.56 1mxl h GLU 63 Ca 0.05 -0.10 -0.54 0.00 -0.13 0.00 0.00 59.36 58.64 1mxl h GLU 63 Cb 0.70 -0.13 -0.41 0.00 0.63 0.00 0.00 28.75 29.54 1mxl h GLU 63 CO -0.00 0.59 -0.91 1.33 -0.73 0.00 0.00 179.01 179.29 1mxl n VAL 64 N -4.35 1.53 -3.85 0.32 0.24 0.11 -5.01 118.33 107.32 1mxl n VAL 64 Ca 0.04 -5.10 -0.30 0.00 -2.04 0.00 0.00 64.34 56.93 1mxl n VAL 64 Cb 0.16 -0.85 -0.14 0.00 -1.47 0.00 0.00 33.84 31.53 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 -2.98 4.23 -0.27 -1.34 2.15 -1.18 -4.83 116.67 112.45 1mxl s ASP 65 Ca 0.45 -2.24 0.10 0.00 0.43 0.00 0.00 52.55 51.29 1mxl s ASP 65 Cb 0.31 -1.27 0.71 0.00 -0.30 0.00 0.00 42.92 42.37 1mxl s ASP 65 CO -0.11 -0.34 1.69 -0.62 -0.17 0.00 0.00 175.17 175.61 1mxl n GLU 66 N 4.09 3.86 0.00 4.34 1.02 -1.26 -4.04 120.64 128.65 1mxl n GLU 66 Ca 0.03 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 1mxl n GLU 66 Cb 0.39 -2.16 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 0.13 0.64 -1.69 1.62 5.68 -1.26 -4.98 116.55 116.69 1mxl n ASP 67 Ca 0.33 -1.27 -0.09 0.00 -0.50 0.00 0.00 54.79 53.26 1mxl n ASP 67 Cb 1.24 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 41.19 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 -0.14 0.38 0.20 6.12 0.00 -1.26 -4.74 105.19 105.75 1mxl n GLY 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.93 -3.47 113.55 114.40 1mxl h SER 69 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1mxl h SER 69 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1mxl h SER 69 CO 0.27 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1mxl n GLY 70 N 1.13 0.49 3.31 -0.77 0.00 -1.26 -5.02 105.19 103.08 1mxl n GLY 70 Ca 0.03 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 0.11 0.20 2.61 -4.23 -1.26 -4.77 115.64 106.30 1mxl s THR 71 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1mxl s THR 71 Cb 0.00 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.32 1mxl s THR 71 CO 0.00 0.00 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.30 1mxl s VAL 72 N -3.50 1.35 0.16 2.29 1.01 -1.11 -4.84 120.40 115.75 1mxl s VAL 72 Ca 0.38 -2.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.24 1mxl s VAL 72 Cb 0.03 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1mxl s VAL 72 CO 0.23 -0.57 0.09 -0.62 0.00 0.00 0.00 175.10 174.24 1mxl s ASP 73 N -3.27 0.24 0.62 3.32 2.15 -1.26 -1.19 116.67 117.27 1mxl s ASP 73 Ca 0.22 -1.28 0.25 0.00 0.43 0.00 0.00 52.55 52.17 1mxl s ASP 73 Cb 0.02 0.33 1.16 0.00 -0.30 0.00 0.00 42.92 44.14 1mxl s ASP 73 CO 0.05 -0.78 1.62 0.15 -0.17 0.00 0.00 175.17 176.05 1mxl h PHE 74 N 2.76 0.00 0.09 -5.34 3.57 -1.97 0.47 116.94 116.52 1mxl h PHE 74 Ca -0.35 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 1mxl h PHE 74 Cb 1.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1mxl h PHE 74 CO 0.40 0.00 -0.04 0.22 -2.23 0.00 0.00 178.31 176.66 1mxl h ASP 75 N 0.00 -0.10 -0.20 0.41 3.58 -1.97 -3.16 116.42 114.98 1mxl h ASP 75 Ca 0.22 -0.48 -0.20 0.00 0.42 0.00 0.00 57.03 56.99 1mxl h ASP 75 Cb 1.66 0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.74 1mxl h ASP 75 CO -0.00 0.56 -0.67 -0.33 -2.88 0.00 0.00 179.24 175.92 1mxl h GLU 76 N -0.90 0.81 -0.37 0.28 5.08 -1.30 -3.27 114.58 114.91 1mxl h GLU 76 Ca -0.01 -0.60 0.07 0.00 -1.00 0.00 0.00 59.36 57.82 1mxl h GLU 76 Cb 0.57 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 1mxl h GLU 76 CO 0.02 1.22 -0.37 0.35 -1.00 0.00 0.00 179.01 179.23 1mxl h PHE 77 N 0.56 -1.04 -0.80 4.33 3.04 -0.30 0.16 116.94 122.89 1mxl h PHE 77 Ca -0.03 0.06 0.17 0.00 3.98 0.00 0.00 57.97 62.16 1mxl h PHE 77 Cb 1.29 0.51 -0.11 0.00 2.56 0.00 0.00 35.95 40.20 1mxl h PHE 77 CO 0.08 -0.41 0.28 -0.07 -2.02 0.00 0.00 178.31 176.17 1mxl h LEU 78 N -0.30 0.18 -0.80 0.59 3.38 -1.60 0.75 115.31 117.51 1mxl h LEU 78 Ca 0.15 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1mxl h LEU 78 Cb 0.56 0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 1mxl h LEU 78 CO -0.53 0.01 0.42 0.58 0.09 0.00 0.00 178.44 179.01 1mxl h VAL 79 N 0.36 0.83 -0.61 1.22 2.07 -1.03 -1.27 116.25 117.81 1mxl h VAL 79 Ca 0.46 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.79 1mxl h VAL 79 Cb 0.80 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1mxl h VAL 79 CO -0.49 0.12 0.36 0.24 0.02 0.00 0.00 177.57 177.82 1mxl h MET 80 N 0.68 0.67 -0.09 1.57 2.86 -0.48 -0.53 114.93 119.61 1mxl h MET 80 Ca 0.41 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 58.03 1mxl h MET 80 Cb 0.47 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1mxl h MET 80 CO -0.30 0.44 0.08 0.52 1.06 0.00 0.00 176.91 178.71 1mxl h MET 81 N 0.69 0.00 0.03 1.72 2.07 -1.03 -1.94 114.93 116.47 1mxl h MET 81 Ca 0.25 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.66 1mxl h MET 81 Cb 0.08 0.00 0.02 0.00 -1.87 0.00 0.00 31.60 29.82 1mxl h MET 81 CO -0.13 0.00 -0.88 0.28 1.07 0.00 0.00 176.91 177.26 1mxl h VAL 82 N 0.00 1.36 -0.05 -2.22 2.07 -0.81 -3.16 116.25 113.43 1mxl h VAL 82 Ca 0.04 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.35 1mxl h VAL 82 Cb 0.19 2.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1mxl h VAL 82 CO -0.00 0.67 0.06 0.03 0.02 0.00 0.00 177.57 178.35 1mxl h ARG 83 N 0.11 0.00 0.00 1.57 3.08 -0.77 0.12 114.38 118.49 1mxl h ARG 83 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1mxl h ARG 83 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.62 1mxl h ARG 83 CO 0.17 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1mxl s MET 85 N -2.00 0.57 -0.04 0.00 0.23 0.41 -5.12 119.30 113.35 1mxl s MET 85 Ca 0.21 0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 55.69 1mxl s MET 85 Cb 0.10 0.12 0.02 0.00 -1.53 0.00 0.00 34.83 33.54 1mxl s MET 85 CO 0.16 -0.14 0.29 0.21 -2.03 0.00 0.00 175.02 173.52 1mxl s LYS 86 N 1.21 0.57 -0.25 3.16 2.20 -1.26 -4.84 119.74 120.52 1mxl s LYS 86 Ca -0.07 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1mxl s LYS 86 Cb -0.06 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.58 1mxl s LYS 86 CO -0.12 -0.14 -0.02 0.34 -0.36 0.00 0.00 175.35 175.05 1mxl s ASP 87 N -0.91 3.92 0.58 1.43 2.15 -1.26 -5.12 116.67 117.46 1mxl s ASP 87 Ca -0.10 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.56 1mxl s ASP 87 Cb -0.05 -1.16 0.00 0.00 -0.30 0.00 0.00 42.92 41.41 1mxl s ASP 87 CO 0.03 -0.28 0.00 0.47 -0.17 0.00 0.00 175.17 175.22 1mxl n ASP 88 N 4.67 -1.11 -0.52 -0.34 8.00 -1.26 -5.33 116.55 120.65 1mxl n ASP 88 Ca -0.09 -0.03 0.14 0.00 0.71 0.00 0.00 54.79 55.52 1mxl n ASP 88 Cb 0.44 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.03 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57