#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 -0.33 -0.33 6.12 -4.77 -1.26 -5.10 116.67 111.00 1mxl s ASP 2 Ca 0.00 0.28 -0.28 0.00 -3.30 0.00 0.00 52.55 49.25 1mxl s ASP 2 Cb 0.00 0.29 -0.02 0.00 -1.09 0.00 0.00 42.92 42.10 1mxl s ASP 2 CO 0.00 -0.36 1.84 -1.81 0.70 0.00 0.00 175.17 175.53 1mxl s ASP 3 N -1.42 5.83 -0.00 2.11 1.01 -1.26 -4.89 116.67 118.04 1mxl s ASP 3 Ca 0.01 1.31 -0.08 0.00 0.71 0.00 0.00 52.55 54.51 1mxl s ASP 3 Cb -0.01 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 1mxl s ASP 3 CO -0.01 -1.76 0.71 0.40 0.21 0.00 0.00 175.17 174.71 1mxl h ILE 4 N 6.84 0.00 -1.00 0.77 5.03 -2.03 -3.21 117.51 123.91 1mxl h ILE 4 Ca -0.34 -0.14 0.38 0.00 -0.12 0.00 0.00 64.86 64.65 1mxl h ILE 4 Cb 1.17 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.80 1mxl h ILE 4 CO 1.03 0.00 0.54 1.88 -0.68 0.00 0.00 178.15 180.93 1mxl h TYR 5 N -0.41 0.86 -0.82 1.37 0.05 -2.01 0.77 116.97 116.78 1mxl h TYR 5 Ca -0.03 0.04 0.24 0.00 0.05 0.00 0.00 58.73 59.03 1mxl h TYR 5 Cb 0.21 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 1mxl h TYR 5 CO 0.09 -0.37 0.96 1.57 -1.05 0.00 0.00 178.16 179.36 1mxl h LYS 6 N 0.12 0.00 -0.15 4.88 2.10 -1.95 0.69 116.57 122.26 1mxl h LYS 6 Ca 0.80 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 59.29 1mxl h LYS 6 Cb 2.02 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 33.36 1mxl h LYS 6 CO -0.71 0.00 -0.54 0.00 -2.00 0.00 0.00 179.45 176.20 1mxl h ALA 7 N 0.86 0.27 -0.84 0.07 0.00 0.43 -3.21 119.26 116.84 1mxl h ALA 7 Ca 0.39 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1mxl h ALA 7 Cb 2.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.02 1mxl h ALA 7 CO -0.00 0.48 0.55 0.00 0.00 0.00 0.00 179.25 180.27 1mxl h ALA 8 N 0.53 1.08 -0.78 0.00 0.00 0.26 -0.98 119.26 119.38 1mxl h ALA 8 Ca -0.03 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1mxl h ALA 8 Cb 1.17 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1mxl h ALA 8 CO 0.11 0.41 0.34 0.28 0.00 0.00 0.00 179.25 180.40 1mxl h VAL 9 N 1.09 0.69 0.00 0.00 2.07 -1.52 1.09 116.25 119.67 1mxl h VAL 9 Ca 0.32 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.62 1mxl h VAL 9 Cb -0.06 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1mxl h VAL 9 CO -0.09 0.09 -0.24 -0.08 0.02 0.00 0.00 177.57 177.27 1mxl h GLU 10 N 0.50 0.00 0.00 1.57 4.81 -1.44 -3.16 114.58 116.86 1mxl h GLU 10 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1mxl h GLU 10 Cb 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1mxl h GLU 10 CO -0.38 0.24 -0.81 1.96 -0.73 0.00 0.00 179.01 179.29 1mxl h GLN 11 N 0.00 0.00 -6.21 1.92 4.20 0.63 -3.46 115.11 112.19 1mxl h GLN 11 Ca -0.00 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.12 1mxl h GLN 11 Cb 1.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.89 1mxl h GLN 11 CO 0.03 0.00 1.25 1.28 -0.67 0.00 0.00 178.83 180.73 1mxl n LEU 12 N -2.46 3.52 -4.22 1.46 4.77 0.35 -4.92 117.00 115.50 1mxl n LEU 12 Ca 0.02 0.74 -0.32 0.00 -0.03 0.00 0.00 56.01 56.41 1mxl n LEU 12 Cb 0.50 -1.45 0.15 0.00 -2.33 0.00 0.00 43.42 40.30 1mxl n LEU 12 CO 0.38 -0.16 -0.72 0.35 -1.33 0.00 0.00 177.39 175.91 1mxl n THR 13 N 6.01 0.00 0.11 -5.08 -2.24 -1.26 -4.65 114.28 107.16 1mxl n THR 13 Ca 0.25 -0.24 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1mxl n THR 13 Cb 0.36 -0.52 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.00 0.13 0.61 -0.78 4.11 -1.98 -2.75 114.58 111.93 1mxl h GLU 14 Ca -0.50 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 58.81 1mxl h GLU 14 Cb 1.32 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1mxl h GLU 14 CO 0.34 0.71 -0.29 1.49 0.07 0.00 0.00 179.01 181.33 1mxl h GLU 15 N 0.10 -0.79 0.05 1.06 4.81 -1.99 -1.11 114.58 116.70 1mxl h GLU 15 Ca -0.01 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1mxl h GLU 15 Cb 1.11 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1mxl h GLU 15 CO 0.09 -0.48 -0.06 0.37 -0.73 0.00 0.00 179.01 178.20 1mxl h GLN 16 N -1.00 -0.12 -0.32 1.92 4.15 -1.91 -1.41 115.11 116.41 1mxl h GLN 16 Ca -0.08 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.44 1mxl h GLN 16 Cb 0.68 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 1mxl h GLN 16 CO 0.14 -0.08 0.27 -0.22 -1.93 0.00 0.00 178.83 177.01 1mxl h LYS 17 N -0.13 0.00 -0.18 1.69 3.11 -1.51 0.47 116.57 120.02 1mxl h LYS 17 Ca 0.00 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.71 1mxl h LYS 17 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1mxl h LYS 17 CO -0.02 0.00 -0.47 -0.91 -2.81 0.00 0.00 179.45 175.24 1mxl h ASN 18 N 0.00 0.50 -0.18 4.20 2.35 -0.09 -3.11 115.58 119.25 1mxl h ASN 18 Ca 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1mxl h ASN 18 Cb 0.69 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1mxl h ASN 18 CO -0.00 0.90 0.07 -0.08 -1.65 0.00 0.00 177.43 176.67 1mxl h GLU 19 N 0.37 0.26 -0.30 0.81 4.81 -0.55 -3.02 114.58 116.97 1mxl h GLU 19 Ca 0.02 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1mxl h GLU 19 Cb 0.96 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1mxl h GLU 19 CO 0.08 0.33 -0.11 0.74 -0.73 0.00 0.00 179.01 179.33 1mxl h PHE 20 N 0.14 -0.24 -0.84 0.92 0.04 -1.50 -1.47 116.94 113.99 1mxl h PHE 20 Ca 0.06 0.03 0.21 0.00 2.80 0.00 0.00 57.97 61.07 1mxl h PHE 20 Cb 0.16 0.15 -0.14 0.00 2.20 0.00 0.00 35.95 38.33 1mxl h PHE 20 CO -0.01 -0.17 0.16 0.87 -0.60 0.00 0.00 178.31 178.55 1mxl h LYS 21 N -0.05 0.17 -0.24 1.51 1.79 -1.47 0.11 116.57 118.39 1mxl h LYS 21 Ca 0.15 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.67 1mxl h LYS 21 Cb 0.27 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 1mxl h LYS 21 CO -0.33 0.11 -0.27 0.00 -1.08 0.00 0.00 179.45 177.88 1mxl h ALA 22 N 1.76 -0.18 -0.16 3.86 0.00 -1.22 0.63 119.26 123.96 1mxl h ALA 22 Ca 0.51 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1mxl h ALA 22 Cb 0.99 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1mxl h ALA 22 CO -0.67 -0.70 0.04 0.00 0.00 0.00 0.00 179.25 177.92 1mxl h ALA 23 N 0.72 0.21 -0.86 0.00 0.00 -0.87 -2.75 119.26 115.70 1mxl h ALA 23 Ca 0.13 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1mxl h ALA 23 Cb 0.49 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1mxl h ALA 23 CO -0.40 -0.16 0.38 0.35 0.00 0.00 0.00 179.25 179.42 1mxl h PHE 24 N 0.06 0.65 0.39 0.00 3.04 -0.25 0.55 116.94 121.38 1mxl h PHE 24 Ca 0.05 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1mxl h PHE 24 Cb 0.25 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1mxl h PHE 24 CO 0.01 0.02 -0.32 0.22 -2.02 0.00 0.00 178.31 176.21 1mxl h ASP 25 N 0.45 -0.85 0.30 0.41 1.82 -0.61 -1.90 116.42 116.04 1mxl h ASP 25 Ca 0.52 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 57.18 1mxl h ASP 25 Cb 0.90 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1mxl h ASP 25 CO -0.48 -0.47 -0.20 0.40 -1.61 0.00 0.00 179.24 176.87 1mxl h ILE 26 N -0.72 0.97 -0.53 2.25 5.03 -1.05 -0.26 117.51 123.20 1mxl h ILE 26 Ca -0.03 -0.75 0.07 0.00 -0.12 0.00 0.00 64.86 64.03 1mxl h ILE 26 Cb 0.63 1.42 -0.03 0.00 -3.03 0.00 0.00 36.82 35.81 1mxl h ILE 26 CO -0.02 0.20 0.36 -0.26 -0.68 0.00 0.00 178.15 177.75 1mxl h PHE 27 N 0.00 0.43 0.00 1.37 -1.00 0.85 -2.55 116.94 116.04 1mxl h PHE 27 Ca -0.00 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 1mxl h PHE 27 Cb 0.41 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1mxl h PHE 27 CO 0.00 0.22 -1.87 1.33 -1.61 0.00 0.00 178.31 176.39 1mxl n VAL 28 N -4.47 0.12 -1.10 -0.55 0.24 -0.91 -2.88 118.33 108.78 1mxl n VAL 28 Ca 0.08 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1mxl n VAL 28 Cb 0.29 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.18 0.00 -2.62 1.34 7.94 -0.16 -0.69 117.00 120.63 1mxl n LEU 29 Ca -0.06 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.68 1mxl n LEU 29 Cb 0.54 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.41 1mxl n LEU 29 CO 0.38 0.00 1.83 0.61 -1.11 0.00 0.00 177.39 179.10 1mxl n GLY 30 N 0.00 2.77 1.36 -3.96 0.00 -1.26 -4.88 105.19 99.22 1mxl n GLY 30 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 3.27 -1.49 -0.00 4.61 0.00 0.14 -5.00 120.51 122.03 1mxl n ALA 31 Ca 0.39 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 53.21 1mxl n ALA 31 Cb 0.41 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1mxl n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mxl n GLU 32 N -2.96 0.13 -0.13 0.00 0.00 -1.26 -4.71 120.64 111.72 1mxl n GLU 32 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 57.16 57.20 1mxl n GLU 32 Cb 0.23 -1.09 0.02 0.00 0.00 0.00 0.00 31.44 30.60 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1mxl n ASP 33 N -1.63 0.77 -2.14 -1.84 9.92 -1.26 -4.98 116.55 115.38 1mxl n ASP 33 Ca -0.01 -1.75 -0.18 0.00 -0.53 0.00 0.00 54.79 52.33 1mxl n ASP 33 Cb 0.10 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.31 -0.35 0.01 0.44 0.00 -1.26 -4.99 105.19 98.74 1mxl n GLY 34 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 1.18 -0.20 0.00 1.01 -0.94 -4.49 121.20 116.99 1mxl s ILE 36 Ca 0.00 -1.35 0.10 0.00 0.00 0.00 0.00 60.65 59.39 1mxl s ILE 36 Cb -0.00 -1.14 0.27 0.00 0.01 0.00 0.00 42.46 41.60 1mxl s ILE 36 CO 0.00 -0.22 1.32 -1.20 0.00 0.00 0.00 174.94 174.84 1mxl n SER 37 N 1.22 -1.03 0.00 3.58 7.64 -1.26 -3.01 113.62 120.75 1mxl n SER 37 Ca -0.21 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1mxl n SER 37 Cb 0.54 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 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 -0.89 0.00 -0.33 0.44 -2.24 -1.26 -4.58 114.28 105.43 1mxl n THR 38 Ca -0.19 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1mxl n THR 38 Cb 0.82 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.69 0.00 -0.78 1.79 -1.95 0.64 116.57 116.96 1mxl h LYS 39 Ca 0.00 -0.04 -0.27 0.00 -2.18 0.00 0.00 60.65 58.15 1mxl h LYS 39 Cb 0.00 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.44 1mxl h LYS 39 CO 0.00 0.46 -1.87 0.39 -1.08 0.00 0.00 179.45 177.35 1mxl n GLU 40 N -4.67 0.65 0.07 3.15 -0.58 -1.26 -3.87 120.64 114.13 1mxl n GLU 40 Ca 0.22 0.17 -0.04 0.00 -0.42 0.00 0.00 57.16 57.08 1mxl n GLU 40 Cb 0.57 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.72 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 -0.24 -1.85 -4.62 7.12 -1.13 -3.23 115.31 111.36 1mxl h LEU 41 Ca -0.33 0.01 0.22 0.00 0.13 0.00 0.00 57.88 57.91 1mxl h LEU 41 Cb 1.95 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 42.11 1mxl h LEU 41 CO 0.05 0.19 0.69 1.23 -0.13 0.00 0.00 178.44 180.47 1mxl h GLY 42 N -1.00 0.00 -0.02 3.75 0.00 0.01 0.18 103.07 105.98 1mxl h GLY 42 Ca -0.03 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.58 1mxl h GLY 42 CO 0.05 0.00 0.74 0.50 0.00 0.00 0.00 176.54 177.83 1mxl h LYS 43 N 0.00 0.00 0.03 4.80 1.79 -1.66 0.83 116.57 122.36 1mxl h LYS 43 Ca 0.36 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.66 1mxl h LYS 43 Cb 1.73 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 32.40 1mxl h LYS 43 CO -0.00 0.00 -0.71 0.28 -1.08 0.00 0.00 179.45 177.94 1mxl h VAL 44 N 0.00 1.42 -0.01 0.50 2.07 -0.82 -3.31 116.25 116.10 1mxl h VAL 44 Ca 0.46 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1mxl h VAL 44 Cb 1.93 2.69 -0.00 0.00 -1.52 0.00 0.00 31.29 34.39 1mxl h VAL 44 CO -0.00 0.64 -0.01 0.23 0.02 0.00 0.00 177.57 178.45 1mxl n MET 45 N -4.15 -0.00 -0.42 1.57 2.81 0.28 0.17 117.12 117.38 1mxl n MET 45 Ca -0.11 0.98 0.37 0.00 -1.81 0.00 0.00 57.70 57.12 1mxl n MET 45 Cb 0.73 -1.47 0.70 0.00 -0.71 0.00 0.00 33.22 32.47 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 0.09 0.00 0.03 2.47 -1.52 1.49 114.38 116.94 1mxl h ARG 46 Ca 0.00 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1mxl h ARG 46 Cb 0.00 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 1mxl h ARG 46 CO -0.01 0.06 -0.81 0.52 0.56 0.00 0.00 179.97 180.29 1mxl h MET 47 N 0.09 0.00 0.00 0.04 2.86 0.17 -3.06 114.93 115.03 1mxl h MET 47 Ca 0.69 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.33 1mxl h MET 47 Cb 2.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 34.14 1mxl h MET 47 CO -0.14 0.81 0.00 1.28 1.06 0.00 0.00 176.91 179.91 1mxl n LEU 48 N -3.39 0.00 0.00 1.22 4.77 0.51 -4.81 117.00 115.30 1mxl n LEU 48 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1mxl n LEU 48 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 1mxl n LEU 48 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1mxl n GLY 49 N 0.50 0.52 0.00 -0.72 0.00 -1.03 -5.02 105.19 99.44 1mxl n GLY 49 Ca 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.28 0.00 -2.92 1.61 1.13 -1.09 -5.03 117.38 108.79 1mxl n GLN 50 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1mxl n GLN 50 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.48 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1mxl s ASN 51 N -0.65 -0.26 0.99 1.08 2.47 -1.26 -2.34 114.94 114.96 1mxl s ASN 51 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1mxl s ASN 51 Cb 0.00 0.70 0.00 0.00 -1.45 0.00 0.00 41.25 40.50 1mxl s ASN 51 CO 0.00 -0.04 0.00 -0.81 -3.72 0.00 0.00 177.10 172.53 1mxl n PRO 52 N 4.28 -0.62 -3.49 0.43 -0.04 -1.26 -5.05 135.00 129.25 1mxl n PRO 52 Ca 0.07 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.31 1mxl n PRO 52 Cb 0.61 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.06 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 -0.99 4.89 -0.26 0.52 -4.23 -1.26 -4.98 115.64 109.33 1mxl s THR 53 Ca 0.00 -0.66 0.28 0.00 -1.18 0.00 0.00 61.69 60.13 1mxl s THR 53 Cb 0.00 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.40 1mxl s THR 53 CO 0.00 -0.43 1.82 1.55 -0.54 0.00 0.00 174.62 177.02 1mxl h PRO 54 N 0.83 0.00 -0.05 3.99 0.13 -2.00 -2.67 132.00 132.23 1mxl h PRO 54 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 1mxl h PRO 54 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1mxl h PRO 54 CO 0.60 0.00 -0.78 1.49 -0.23 0.00 0.00 178.00 179.08 1mxl h GLU 55 N 0.00 0.36 0.00 0.86 4.57 -2.03 -3.23 114.58 115.11 1mxl h GLU 55 Ca 0.00 -0.32 -0.16 0.00 -1.18 0.00 0.00 59.36 57.70 1mxl h GLU 55 Cb 0.56 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1mxl h GLU 55 CO 0.00 0.98 -1.17 1.49 -1.18 0.00 0.00 179.01 179.13 1mxl h GLU 56 N 0.23 0.00 -0.50 1.92 4.81 -1.94 -3.36 114.58 115.75 1mxl h GLU 56 Ca -0.04 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1mxl h GLU 56 Cb 1.37 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.66 1mxl h GLU 56 CO 0.13 0.38 -0.06 1.25 -0.73 0.00 0.00 179.01 179.98 1mxl h LEU 57 N 0.00 -0.34 -1.59 1.64 6.46 -1.49 0.16 115.31 120.14 1mxl h LEU 57 Ca -0.12 0.14 0.12 0.00 -0.12 0.00 0.00 57.88 57.90 1mxl h LEU 57 Cb 1.55 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 41.70 1mxl h LEU 57 CO 0.06 -0.12 0.45 -0.61 -0.62 0.00 0.00 178.44 177.60 1mxl h GLN 58 N 0.05 0.42 -0.65 1.25 -0.00 -1.71 0.15 115.11 114.63 1mxl h GLN 58 Ca 0.25 -0.03 0.15 0.00 -0.00 0.00 0.00 58.65 59.02 1mxl h GLN 58 Cb 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.73 1mxl h GLN 58 CO -0.47 0.28 0.45 1.49 0.00 0.00 0.00 178.83 180.58 1mxl h GLU 59 N 0.44 0.21 0.00 1.69 4.22 -0.87 0.39 114.58 120.65 1mxl h GLU 59 Ca 0.32 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.68 1mxl h GLU 59 Cb 0.66 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1mxl h GLU 59 CO -0.10 0.14 -0.31 0.52 -2.18 0.00 0.00 179.01 177.08 1mxl h MET 60 N 0.21 0.00 0.00 1.92 2.86 -0.95 -1.87 114.93 117.10 1mxl h MET 60 Ca 0.31 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.79 1mxl h MET 60 Cb 0.94 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1mxl h MET 60 CO -0.06 0.31 -1.30 0.82 1.06 0.00 0.00 176.91 177.74 1mxl h ILE 61 N 0.00 0.60 0.00 -1.22 5.03 -0.37 -3.32 117.51 118.22 1mxl h ILE 61 Ca -0.00 -2.10 0.00 0.00 -0.12 0.00 0.00 64.86 62.63 1mxl h ILE 61 Cb 0.62 2.13 0.00 0.00 -3.03 0.00 0.00 36.82 36.54 1mxl h ILE 61 CO 0.04 0.34 -0.28 0.47 -0.68 0.00 0.00 178.15 178.05 1mxl n ASP 62 N -2.96 0.30 0.09 1.72 9.92 -0.19 -2.82 116.55 122.61 1mxl n ASP 62 Ca -0.08 0.11 0.13 0.00 -0.53 0.00 0.00 54.79 54.41 1mxl n ASP 62 Cb 0.84 -0.10 0.45 0.00 -0.64 0.00 0.00 41.12 41.67 1mxl n ASP 62 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1mxl n GLU 63 N -1.54 0.20 -0.52 -1.24 2.13 -0.73 -3.71 120.64 115.23 1mxl n GLU 63 Ca 0.06 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1mxl n GLU 63 Cb 0.34 -1.77 0.00 0.00 0.27 0.00 0.00 31.44 30.29 1mxl n GLU 63 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1mxl n VAL 64 N -2.12 0.02 -2.68 6.31 0.24 -1.23 -4.94 118.33 113.93 1mxl n VAL 64 Ca 0.05 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 1mxl n VAL 64 Cb 0.35 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 -1.05 7.11 -0.20 -1.34 2.15 -1.13 -4.57 116.67 117.65 1mxl s ASP 65 Ca 0.01 1.39 0.13 0.00 0.43 0.00 0.00 52.55 54.51 1mxl s ASP 65 Cb 0.01 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.53 1mxl s ASP 65 CO -0.00 -0.63 1.20 -0.62 -0.17 0.00 0.00 175.17 174.95 1mxl n GLU 66 N 6.09 1.78 0.00 4.34 -0.58 -1.26 -4.79 120.64 126.23 1mxl n GLU 66 Ca 0.11 -3.30 0.00 0.00 -0.42 0.00 0.00 57.16 53.55 1mxl n GLU 66 Cb 0.47 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1mxl n ASP 67 N -0.77 0.00 0.00 1.62 5.75 -1.26 -5.05 116.55 116.84 1mxl n ASP 67 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1mxl n ASP 67 Cb 0.82 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 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 -0.12 1.83 0.31 6.12 0.00 -1.26 -5.00 105.19 107.08 1mxl n GLY 68 Ca 0.00 0.00 0.13 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 0.00 1.13 -1.53 1.61 3.41 -1.26 -4.91 113.62 112.08 1mxl n SER 69 Ca 0.00 -1.08 -0.18 0.00 -0.26 0.00 0.00 58.87 57.35 1mxl n SER 69 Cb 0.00 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 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 1.27 1.18 3.34 5.00 0.00 -1.26 -4.95 105.19 109.77 1mxl n GLY 70 Ca 0.15 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.72 0.00 0.02 2.61 -4.23 -1.26 -4.72 115.64 105.35 1mxl s THR 71 Ca 0.00 -1.84 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1mxl s THR 71 Cb 0.00 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1mxl s THR 71 CO 0.00 0.00 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.18 1mxl s VAL 72 N -3.68 1.67 0.41 2.29 1.01 -1.16 -4.84 120.40 116.10 1mxl s VAL 72 Ca 0.36 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1mxl s VAL 72 Cb 0.03 -1.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1mxl s VAL 72 CO 0.18 0.30 0.01 0.47 0.00 0.00 0.00 175.10 176.06 1mxl n ASP 73 N 2.10 3.01 0.12 3.32 9.92 -1.26 -2.21 116.55 131.55 1mxl n ASP 73 Ca -0.16 -2.83 0.08 0.00 -0.53 0.00 0.00 54.79 51.35 1mxl n ASP 73 Cb 0.53 0.33 0.42 0.00 -0.64 0.00 0.00 41.12 41.77 1mxl n ASP 73 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1mxl n PHE 74 N -1.02 0.53 -0.03 1.24 7.35 -1.26 -1.02 117.46 123.25 1mxl n PHE 74 Ca -0.16 0.27 -0.01 0.00 -0.76 0.00 0.00 57.45 56.78 1mxl n PHE 74 Cb 0.53 -0.93 -0.00 0.00 0.35 0.00 0.00 39.48 39.42 1mxl n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1mxl h ASP 75 N 0.00 0.00 -0.23 -2.13 5.19 -2.00 -3.26 116.42 113.99 1mxl h ASP 75 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1mxl h ASP 75 Cb 0.02 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1mxl h ASP 75 CO 0.00 0.33 0.15 -0.33 -3.12 0.00 0.00 179.24 176.27 1mxl h GLU 76 N -0.49 0.25 -0.76 3.56 5.08 -1.78 -1.88 114.58 118.56 1mxl h GLU 76 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1mxl h GLU 76 Cb 0.16 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1mxl h GLU 76 CO 0.00 0.17 0.34 0.35 -1.00 0.00 0.00 179.01 178.86 1mxl h PHE 77 N 0.26 1.11 -0.23 4.33 3.57 -1.25 -2.85 116.94 121.87 1mxl h PHE 77 Ca 0.09 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mxl h PHE 77 Cb 0.04 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1mxl h PHE 77 CO -0.00 0.83 0.15 -0.07 -2.23 0.00 0.00 178.31 176.99 1mxl h LEU 78 N 1.09 0.27 -2.27 0.59 3.38 -1.38 -1.54 115.31 115.46 1mxl h LEU 78 Ca 0.26 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.23 1mxl h LEU 78 Cb 0.15 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1mxl h LEU 78 CO -0.03 0.21 0.08 0.58 0.09 0.00 0.00 178.44 179.38 1mxl h VAL 79 N 0.31 0.63 0.00 1.22 2.07 -1.49 0.54 116.25 119.52 1mxl h VAL 79 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1mxl h VAL 79 Cb -0.02 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1mxl h VAL 79 CO -0.02 0.00 -0.16 -0.03 0.02 0.00 0.00 177.57 177.38 1mxl h MET 80 N 0.00 0.00 0.00 1.57 -1.53 -1.07 -2.27 114.93 111.63 1mxl h MET 80 Ca 0.04 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1mxl h MET 80 Cb 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.25 1mxl h MET 80 CO -0.00 0.16 -0.36 -1.33 0.14 0.00 0.00 176.91 175.52 1mxl n MET 81 N -3.29 0.13 -0.10 0.39 2.00 0.17 -3.61 117.12 112.82 1mxl n MET 81 Ca 0.01 0.06 -0.13 0.00 0.00 0.00 0.00 57.70 57.64 1mxl n MET 81 Cb 0.41 -1.60 -0.15 0.00 0.00 0.00 0.00 33.22 31.88 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 -1.81 1.46 0.24 2.03 0.31 -1.01 -4.25 118.33 115.30 1mxl n VAL 82 Ca 0.05 -0.76 0.12 0.00 -0.01 0.00 0.00 64.34 63.74 1mxl n VAL 82 Cb 0.38 -0.85 0.54 0.00 -0.91 0.00 0.00 33.84 33.00 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 0.00 0.00 -0.03 5.55 3.08 -1.54 -2.38 114.38 119.07 1mxl h ARG 83 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1mxl h ARG 83 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1mxl h ARG 83 CO 0.00 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 1mxl n MET 85 N -0.60 3.20 -2.92 0.00 2.81 -0.90 -4.67 117.12 114.05 1mxl n MET 85 Ca 0.18 -3.32 -0.13 0.00 -1.81 0.00 0.00 57.70 52.62 1mxl n MET 85 Cb 0.14 -3.40 0.01 0.00 -0.71 0.00 0.00 33.22 29.26 1mxl n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1mxl n LYS 86 N 7.71 1.05 -4.88 0.03 4.81 -1.26 -5.10 118.16 120.52 1mxl n LYS 86 Ca 0.47 -3.13 -0.30 0.00 -0.87 0.00 0.00 58.31 54.48 1mxl n LYS 86 Cb 0.45 -1.38 -0.14 0.00 0.02 0.00 0.00 35.03 33.97 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1mxl s ASP 87 N -2.53 3.26 -0.26 3.14 1.11 -1.26 -5.01 116.67 115.12 1mxl s ASP 87 Ca 0.33 -0.56 0.02 0.00 0.18 0.00 0.00 52.55 52.52 1mxl s ASP 87 Cb 0.39 -0.34 0.37 0.00 1.07 0.00 0.00 42.92 44.41 1mxl s ASP 87 CO -0.03 0.26 1.53 -0.90 1.18 0.00 0.00 175.17 177.21 1mxl n ASP 88 N 1.76 3.51 0.00 0.27 5.75 -1.26 -5.30 116.55 121.28 1mxl n ASP 88 Ca -0.17 -2.91 0.00 0.00 -0.01 0.00 0.00 54.79 51.70 1mxl n ASP 88 Cb 0.52 -0.70 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55