#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 -1.30 -3.18 6.12 8.00 -1.26 -5.04 116.55 119.89 1mxl n ASP 2 Ca 0.00 -1.89 -0.19 0.00 0.71 0.00 0.00 54.79 53.41 1mxl n ASP 2 Cb 0.00 0.88 0.02 0.00 -0.02 0.00 0.00 41.12 42.00 1mxl n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mxl n ASP 3 N -0.59 -6.84 -0.00 -2.24 2.03 -1.26 -4.98 116.55 102.67 1mxl n ASP 3 Ca -0.16 0.10 -0.01 0.00 0.52 0.00 0.00 54.79 55.24 1mxl n ASP 3 Cb 0.72 -3.79 -0.00 0.00 -0.72 0.00 0.00 41.12 37.32 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 -0.63 0.53 -0.06 5.18 5.41 -1.26 -4.63 119.36 123.91 1mxl n ILE 4 Ca -0.00 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.86 1mxl n ILE 4 Cb 0.56 -1.47 -0.11 0.00 -0.71 0.00 0.00 39.64 37.91 1mxl n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1mxl h TYR 5 N -0.15 -0.01 -1.52 1.39 0.05 -1.98 -2.92 116.97 111.81 1mxl h TYR 5 Ca 0.00 -0.00 0.45 0.00 0.05 0.00 0.00 58.73 59.23 1mxl h TYR 5 Cb 0.15 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.82 1mxl h TYR 5 CO -0.07 0.80 1.07 1.57 -1.05 0.00 0.00 178.16 180.49 1mxl h LYS 6 N -0.95 0.04 0.13 4.88 2.10 -1.99 1.44 116.57 122.24 1mxl h LYS 6 Ca -0.00 -0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.36 1mxl h LYS 6 Cb 0.82 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1mxl h LYS 6 CO 0.00 0.03 -1.31 0.00 -2.00 0.00 0.00 179.45 176.17 1mxl h ALA 7 N 1.31 0.11 0.09 0.07 0.00 -1.82 -2.84 119.26 116.18 1mxl h ALA 7 Ca 0.77 -0.93 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 1mxl h ALA 7 Cb 2.89 0.07 0.03 0.00 0.00 0.00 0.00 17.79 20.78 1mxl h ALA 7 CO -0.12 0.99 -1.18 0.00 0.00 0.00 0.00 179.25 178.94 1mxl h ALA 8 N 0.54 0.02 -0.05 0.00 0.00 0.18 -2.98 119.26 116.97 1mxl h ALA 8 Ca -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1mxl h ALA 8 Cb 1.99 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1mxl h ALA 8 CO 0.20 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.41 1mxl h VAL 9 N 0.29 1.19 0.00 0.00 2.07 0.17 0.31 116.25 120.28 1mxl h VAL 9 Ca -0.17 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1mxl h VAL 9 Cb 1.85 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1mxl h VAL 9 CO 0.23 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.35 1mxl n GLU 10 N -4.93 0.15 -0.03 1.57 1.02 -1.07 -2.09 120.64 115.26 1mxl n GLU 10 Ca -0.07 0.51 0.05 0.00 -0.02 0.00 0.00 57.16 57.64 1mxl n GLU 10 Cb 0.14 -1.87 -0.14 0.00 -0.02 0.00 0.00 31.44 29.56 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 -2.16 0.70 -1.51 3.49 6.02 -0.86 -4.93 117.38 118.13 1mxl n GLN 11 Ca 0.00 -0.13 -0.51 0.00 -0.01 0.00 0.00 57.00 56.35 1mxl n GLN 11 Cb 0.12 -1.44 -0.07 0.00 1.02 0.00 0.00 30.24 29.88 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 -2.25 2.32 -4.36 1.08 4.77 0.10 -4.91 117.00 113.75 1mxl n LEU 12 Ca -0.09 0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 56.17 1mxl n LEU 12 Cb 0.61 -1.26 0.28 0.00 -2.33 0.00 0.00 43.42 40.72 1mxl n LEU 12 CO 0.38 -0.61 0.44 0.42 -1.33 0.00 0.00 177.39 176.69 1mxl s THR 13 N 6.38 1.51 0.23 -5.08 -4.23 -1.26 -4.84 115.64 108.35 1mxl s THR 13 Ca 1.06 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.60 1mxl s THR 13 Cb -0.87 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1mxl s THR 13 CO 0.52 0.00 1.57 -0.08 -0.54 0.00 0.00 174.62 176.09 1mxl h GLU 14 N -3.17 0.34 0.00 3.99 4.81 -2.01 -2.75 114.58 115.80 1mxl h GLU 14 Ca -0.51 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 1mxl h GLU 14 Cb 1.34 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.74 1mxl h GLU 14 CO 0.37 0.80 0.03 1.49 -0.73 0.00 0.00 179.01 180.97 1mxl h GLU 15 N 0.26 0.00 0.00 1.92 4.57 -1.99 -0.87 114.58 118.47 1mxl h GLU 15 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mxl h GLU 15 Cb 1.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1mxl h GLU 15 CO 0.09 0.00 -0.01 1.96 -1.18 0.00 0.00 179.01 179.87 1mxl h GLN 16 N 0.00 0.00 -0.80 1.92 4.20 -1.82 -3.21 115.11 115.40 1mxl h GLN 16 Ca 0.00 0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.91 1mxl h GLN 16 Cb 0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.79 1mxl h GLN 16 CO 0.00 0.00 0.55 1.57 -0.67 0.00 0.00 178.83 180.28 1mxl h LYS 17 N -0.18 0.20 -0.61 1.46 2.10 -1.60 0.15 116.57 118.09 1mxl h LYS 17 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1mxl h LYS 17 Cb 0.01 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.27 1mxl h LYS 17 CO 0.00 0.13 0.40 -0.91 -2.00 0.00 0.00 179.45 177.07 1mxl h ASN 18 N 0.20 0.68 -0.26 7.07 4.21 -1.29 0.86 115.58 127.05 1mxl h ASN 18 Ca 0.40 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.78 1mxl h ASN 18 Cb 1.25 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1mxl h ASN 18 CO -0.08 0.49 -0.26 -0.08 -1.29 0.00 0.00 177.43 176.21 1mxl h GLU 19 N 0.81 0.64 -0.17 0.81 4.81 -0.99 -3.10 114.58 117.39 1mxl h GLU 19 Ca 0.23 -0.34 -0.11 0.00 -0.13 0.00 0.00 59.36 59.01 1mxl h GLU 19 Cb -0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1mxl h GLU 19 CO -0.06 0.94 -0.39 0.74 -0.73 0.00 0.00 179.01 179.51 1mxl h PHE 20 N 0.36 0.44 -0.85 0.92 0.04 -1.07 -3.10 116.94 113.69 1mxl h PHE 20 Ca 0.04 -0.12 0.21 0.00 2.80 0.00 0.00 57.97 60.90 1mxl h PHE 20 Cb 0.83 -0.10 -0.15 0.00 2.20 0.00 0.00 35.95 38.73 1mxl h PHE 20 CO 0.07 0.72 0.02 0.87 -0.60 0.00 0.00 178.31 179.39 1mxl h LYS 21 N 0.32 0.08 -0.58 1.51 1.79 0.83 0.22 116.57 120.74 1mxl h LYS 21 Ca 0.03 -0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.60 1mxl h LYS 21 Cb 0.83 -0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.35 1mxl h LYS 21 CO 0.07 0.05 -0.33 0.00 -1.08 0.00 0.00 179.45 178.16 1mxl h ALA 22 N 1.81 -0.05 0.40 3.86 0.00 -1.63 0.27 119.26 123.92 1mxl h ALA 22 Ca 0.48 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 1mxl h ALA 22 Cb 0.91 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1mxl h ALA 22 CO -0.76 -0.68 -0.19 0.00 0.00 0.00 0.00 179.25 177.62 1mxl h ALA 23 N 0.99 -0.54 -1.08 0.00 0.00 -0.78 -1.28 119.26 116.58 1mxl h ALA 23 Ca 0.23 -0.12 0.29 0.00 0.00 0.00 0.00 54.91 55.31 1mxl h ALA 23 Cb 0.55 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1mxl h ALA 23 CO -0.67 -0.80 0.69 0.35 0.00 0.00 0.00 179.25 178.81 1mxl h PHE 24 N -0.54 0.67 -0.24 0.00 3.04 -0.20 0.91 116.94 120.59 1mxl h PHE 24 Ca -0.06 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.83 1mxl h PHE 24 Cb 0.41 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 1mxl h PHE 24 CO -0.05 0.01 -0.20 0.22 -2.02 0.00 0.00 178.31 176.27 1mxl h ASP 25 N 0.36 0.60 0.78 0.41 3.58 0.29 -2.35 116.42 120.08 1mxl h ASP 25 Ca 0.64 -0.46 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 1mxl h ASP 25 Cb 1.65 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.52 1mxl h ASP 25 CO -0.34 0.93 -0.53 0.40 -2.88 0.00 0.00 179.24 176.82 1mxl h ILE 26 N 0.27 1.19 0.00 2.25 5.03 0.67 -2.11 117.51 124.81 1mxl h ILE 26 Ca 0.04 -1.93 -0.10 0.00 -0.12 0.00 0.00 64.86 62.75 1mxl h ILE 26 Cb 0.75 2.10 -0.01 0.00 -3.03 0.00 0.00 36.82 36.63 1mxl h ILE 26 CO 0.05 0.52 -0.46 -0.26 -0.68 0.00 0.00 178.15 177.32 1mxl h PHE 27 N 0.00 0.00 -0.47 1.37 -1.00 0.76 -2.93 116.94 114.67 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 1.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1mxl h PHE 27 CO 0.00 0.46 0.00 1.33 -1.61 0.00 0.00 178.31 178.49 1mxl n VAL 28 N -3.69 0.81 -1.48 -0.55 0.24 -0.90 -2.97 118.33 109.79 1mxl n VAL 28 Ca -0.01 -0.91 -0.43 0.00 -2.04 0.00 0.00 64.34 60.96 1mxl n VAL 28 Cb 0.53 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.16 0.73 0.00 1.34 0.00 -0.81 0.19 117.00 119.61 1mxl n LEU 29 Ca 0.18 0.15 0.00 0.00 0.00 0.00 0.00 56.01 56.33 1mxl n LEU 29 Cb 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 43.42 42.92 1mxl n LEU 29 CO 0.13 -0.85 0.00 0.61 0.00 0.00 0.00 177.39 177.28 1mxl n GLY 30 N 6.54 0.96 3.68 -3.96 0.00 -1.26 -4.88 105.19 106.27 1mxl n GLY 30 Ca 0.59 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.00 1.04 -0.07 4.61 0.00 0.50 -5.03 121.76 120.81 1mxl s ALA 31 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.55 1mxl s ALA 31 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 1mxl s ALA 31 CO 0.00 -2.77 -0.16 -1.91 0.00 0.00 0.00 175.76 170.92 1mxl n GLU 32 N -4.14 0.24 0.10 0.00 2.13 -1.26 -4.68 120.64 113.03 1mxl n GLU 32 Ca 0.05 0.09 -0.03 0.00 0.66 0.00 0.00 57.16 57.94 1mxl n GLU 32 Cb 0.57 -0.89 -0.02 0.00 0.27 0.00 0.00 31.44 31.37 1mxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1mxl h ASP 33 N -0.45 0.00 0.00 4.31 3.32 -1.99 -3.47 116.42 118.13 1mxl h ASP 33 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1mxl h ASP 33 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1mxl h ASP 33 CO 0.00 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 1mxl n GLY 34 N 1.15 0.47 1.83 2.75 0.00 -1.26 -5.16 105.19 104.97 1mxl n GLY 34 Ca 0.01 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.66 1.35 -0.09 0.00 1.01 -1.10 -4.54 121.20 115.17 1mxl s ILE 36 Ca 0.19 -1.75 0.06 0.00 0.00 0.00 0.00 60.65 59.15 1mxl s ILE 36 Cb 0.01 -1.57 0.14 0.00 0.01 0.00 0.00 42.46 41.05 1mxl s ILE 36 CO 0.14 -0.44 1.14 -0.24 0.00 0.00 0.00 174.94 175.55 1mxl n SER 37 N 0.46 -0.87 0.00 3.58 2.88 -1.26 -2.62 113.62 115.78 1mxl n SER 37 Ca -0.15 -2.05 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 1mxl n SER 37 Cb 0.57 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 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 -0.34 0.00 -0.25 2.46 -2.24 -1.26 -4.66 114.28 107.99 1mxl n THR 38 Ca -0.22 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1mxl n THR 38 Cb 0.78 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.54 0.00 -0.78 1.57 -1.94 1.41 116.57 117.36 1mxl h LYS 39 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1mxl h LYS 39 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1mxl h LYS 39 CO 0.00 0.36 -1.14 0.39 -0.57 0.00 0.00 179.45 178.49 1mxl n GLU 40 N -4.90 0.54 -0.07 3.15 -0.58 -1.26 -4.10 120.64 113.42 1mxl n GLU 40 Ca 0.12 0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.81 1mxl n GLU 40 Cb 0.31 -1.73 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.00 -1.04 -4.62 5.85 -1.11 -3.34 115.31 111.05 1mxl h LEU 41 Ca 0.00 -0.49 0.29 0.00 0.84 0.00 0.00 57.88 58.53 1mxl h LEU 41 Cb 0.93 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 1mxl h LEU 41 CO 0.00 0.89 0.60 1.23 -0.34 0.00 0.00 178.44 180.81 1mxl h GLY 42 N -1.00 1.94 -0.63 3.75 0.00 0.17 0.31 103.07 107.61 1mxl h GLY 42 Ca -0.05 -0.26 0.35 0.00 0.00 0.00 0.00 47.33 47.36 1mxl h GLY 42 CO -0.03 -0.38 0.67 0.50 0.00 0.00 0.00 176.54 177.30 1mxl h LYS 43 N 0.42 0.25 -0.04 4.80 1.57 -1.71 0.61 116.57 122.47 1mxl h LYS 43 Ca 0.70 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 59.26 1mxl h LYS 43 Cb 1.53 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1mxl h LYS 43 CO -0.53 0.17 -0.82 0.28 -0.57 0.00 0.00 179.45 177.98 1mxl h VAL 44 N 0.26 1.40 0.29 0.50 2.07 -0.57 -3.11 116.25 117.10 1mxl h VAL 44 Ca 0.74 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 1mxl h VAL 44 Cb 1.91 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 1mxl h VAL 44 CO -0.50 0.69 -0.29 0.24 0.02 0.00 0.00 177.57 177.73 1mxl h MET 45 N 0.24 -0.56 0.00 1.57 2.86 0.25 0.55 114.93 119.83 1mxl h MET 45 Ca -0.05 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1mxl h MET 45 Cb 1.42 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.21 1mxl h MET 45 CO 0.14 -0.37 0.23 0.07 1.06 0.00 0.00 176.91 178.04 1mxl h ARG 46 N -0.58 0.00 0.16 1.72 0.11 -1.03 0.09 114.38 114.85 1mxl h ARG 46 Ca -0.04 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.71 1mxl h ARG 46 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1mxl h ARG 46 CO -0.03 0.00 -1.62 0.52 0.10 0.00 0.00 179.97 178.94 1mxl h MET 47 N 0.00 0.34 0.00 0.08 2.86 -1.00 -3.27 114.93 113.93 1mxl h MET 47 Ca 0.00 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 57.06 1mxl h MET 47 Cb 0.46 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1mxl h MET 47 CO 0.00 1.23 0.00 1.28 1.06 0.00 0.00 176.91 180.48 1mxl n LEU 48 N -3.53 0.49 0.00 1.22 4.77 0.17 -4.81 117.00 115.31 1mxl n LEU 48 Ca -0.20 0.63 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1mxl n LEU 48 Cb 1.06 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1mxl n LEU 48 CO 0.52 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1mxl n GLY 49 N -0.19 1.22 3.09 -0.72 0.00 -1.05 -5.10 105.19 102.44 1mxl n GLY 49 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1mxl n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mxl s GLN 50 N -0.19 0.60 -0.39 1.61 -0.44 -0.92 -5.02 119.66 114.90 1mxl s GLN 50 Ca 0.00 -1.12 0.04 0.00 -2.50 0.00 0.00 55.36 51.78 1mxl s GLN 50 Cb 0.00 0.21 0.16 0.00 -1.64 0.00 0.00 33.01 31.74 1mxl s GLN 50 CO 0.00 -0.12 0.42 1.21 0.50 0.00 0.00 175.29 177.30 1mxl s ASN 51 N -2.74 0.79 0.90 6.67 3.84 -1.26 -1.51 114.94 121.63 1mxl s ASN 51 Ca 0.04 -1.66 -0.12 0.00 0.21 0.00 0.00 52.86 51.33 1mxl s ASN 51 Cb 0.06 0.68 0.13 0.00 -0.55 0.00 0.00 41.25 41.57 1mxl s ASN 51 CO -0.09 -0.23 1.10 -2.16 -2.79 0.00 0.00 177.10 172.93 1mxl s PRO 52 N 1.30 1.26 1.02 0.43 0.04 -1.26 -5.02 135.00 132.77 1mxl s PRO 52 Ca 0.19 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.71 1mxl s PRO 52 Cb -0.12 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1mxl s PRO 52 CO -0.04 -2.18 1.08 0.95 0.04 0.00 0.00 177.00 176.84 1mxl s THR 53 N -3.06 2.16 0.05 1.26 -4.23 -1.26 -4.87 115.64 105.69 1mxl s THR 53 Ca 0.63 0.05 0.32 0.00 -1.18 0.00 0.00 61.69 61.51 1mxl s THR 53 Cb -0.17 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.63 1mxl s THR 53 CO 0.56 -0.07 1.94 1.55 -0.54 0.00 0.00 174.62 178.06 1mxl h PRO 54 N -2.02 0.00 0.04 3.99 0.13 -2.01 -2.84 132.00 129.29 1mxl h PRO 54 Ca -0.55 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.34 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 0.55 0.02 -0.97 1.49 -0.23 0.00 0.00 178.00 178.85 1mxl h GLU 55 N 0.00 0.59 0.00 0.86 4.81 -2.03 -3.20 114.58 115.61 1mxl h GLU 55 Ca -0.00 -0.69 -0.07 0.00 -0.13 0.00 0.00 59.36 58.48 1mxl h GLU 55 Cb 0.58 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1mxl h GLU 55 CO 0.00 1.28 -0.31 1.49 -0.73 0.00 0.00 179.01 180.74 1mxl h GLU 56 N 0.19 0.00 0.55 1.92 4.81 -1.89 -3.21 114.58 116.96 1mxl h GLU 56 Ca -0.13 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1mxl h GLU 56 Cb 1.66 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.02 1mxl h GLU 56 CO 0.19 0.31 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.23 1mxl h LEU 57 N 0.00 -1.29 -0.91 1.64 3.38 -1.50 -1.94 115.31 114.69 1mxl h LEU 57 Ca -0.00 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.30 1mxl h LEU 57 Cb 0.71 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.75 1mxl h LEU 57 CO 0.04 -0.67 0.40 -0.61 0.09 0.00 0.00 178.44 177.70 1mxl h GLN 58 N -1.02 0.37 -0.52 1.13 -0.00 -1.64 0.89 115.11 114.33 1mxl h GLN 58 Ca -0.07 -0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.67 1mxl h GLN 58 Cb 0.87 -0.08 -0.10 0.00 0.00 0.00 0.00 27.48 28.16 1mxl h GLN 58 CO -0.02 0.25 -0.17 0.93 0.00 0.00 0.00 178.83 179.81 1mxl h GLU 59 N 0.39 -0.05 -1.06 1.69 5.08 -1.41 0.38 114.58 119.60 1mxl h GLU 59 Ca 0.58 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 59.22 1mxl h GLU 59 Cb 1.13 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.31 1mxl h GLU 59 CO -0.55 -0.03 0.70 0.52 -1.00 0.00 0.00 179.01 178.66 1mxl h MET 60 N -0.05 0.30 0.00 2.33 2.86 -0.59 0.88 114.93 120.66 1mxl h MET 60 Ca 0.25 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1mxl h MET 60 Cb 0.43 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1mxl h MET 60 CO -0.56 0.20 -0.00 0.82 1.06 0.00 0.00 176.91 178.43 1mxl h ILE 61 N 0.30 1.70 -0.02 -1.22 5.03 -0.32 -3.32 117.51 119.66 1mxl h ILE 61 Ca 0.59 -2.27 -0.05 0.00 -0.12 0.00 0.00 64.86 63.01 1mxl h ILE 61 Cb 1.66 3.20 -0.01 0.00 -3.03 0.00 0.00 36.82 38.65 1mxl h ILE 61 CO -0.24 0.57 -0.20 -0.78 -0.68 0.00 0.00 178.15 176.82 1mxl h ASP 62 N -1.00 0.03 -1.04 1.72 3.58 0.00 -1.41 116.42 118.31 1mxl h ASP 62 Ca -0.00 -0.01 0.30 0.00 0.42 0.00 0.00 57.03 57.74 1mxl h ASP 62 Cb 0.94 -0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.94 1mxl h ASP 62 CO 0.00 0.24 0.76 -0.08 -2.88 0.00 0.00 179.24 177.28 1mxl h GLU 63 N 0.03 0.00 0.00 0.28 4.57 0.66 -0.63 114.58 119.50 1mxl h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1mxl h GLU 63 Cb 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1mxl h GLU 63 CO 0.03 0.00 0.00 1.33 -1.18 0.00 0.00 179.01 179.19 1mxl n VAL 64 N -4.17 0.36 -2.20 0.32 0.24 -0.93 -5.00 118.33 106.96 1mxl n VAL 64 Ca 0.22 -0.61 -0.41 0.00 -2.04 0.00 0.00 64.34 61.50 1mxl n VAL 64 Cb 1.12 0.90 -0.03 0.00 -1.47 0.00 0.00 33.84 34.36 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 -0.36 6.88 -0.05 -1.34 2.15 -0.24 -4.79 116.67 118.92 1mxl s ASP 65 Ca 0.00 2.57 0.07 0.00 0.43 0.00 0.00 52.55 55.62 1mxl s ASP 65 Cb 0.00 -2.64 0.10 0.00 -0.30 0.00 0.00 42.92 40.08 1mxl s ASP 65 CO 0.00 -0.46 0.97 -0.62 -0.17 0.00 0.00 175.17 174.90 1mxl n GLU 66 N 1.11 1.14 -0.49 4.34 4.71 -1.26 -4.75 120.64 125.44 1mxl n GLU 66 Ca 0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 57.16 55.55 1mxl n GLU 66 Cb 0.42 -0.97 0.00 0.00 -1.01 0.00 0.00 31.44 29.88 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 -0.63 0.00 -2.46 1.62 5.75 -1.26 -4.98 116.55 114.59 1mxl n ASP 67 Ca 0.06 -1.36 -0.07 0.00 -0.01 0.00 0.00 54.79 53.40 1mxl n ASP 67 Cb 0.54 -0.07 -0.00 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 0.00 -0.49 0.18 6.12 0.00 -1.26 -4.74 105.19 105.00 1mxl n GLY 68 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.45 113.55 114.39 1mxl h SER 69 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1mxl h SER 69 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1mxl h SER 69 CO 0.20 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1mxl n GLY 70 N -0.17 2.17 3.35 -0.77 0.00 -1.26 -4.98 105.19 103.52 1mxl n GLY 70 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.12 1.02 -0.05 2.61 -4.23 -1.26 -4.80 115.64 105.81 1mxl s THR 71 Ca 0.00 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1mxl s THR 71 Cb 0.00 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 1mxl s THR 71 CO 0.00 -0.24 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.08 1mxl s VAL 72 N -3.43 3.69 0.16 2.29 1.01 -1.08 -4.89 120.40 118.15 1mxl s VAL 72 Ca 0.31 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1mxl s VAL 72 Cb 0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1mxl s VAL 72 CO 0.10 0.53 -0.17 -0.62 0.00 0.00 0.00 175.10 174.94 1mxl s ASP 73 N -1.01 3.85 0.56 3.32 2.15 -1.26 -2.70 116.67 121.58 1mxl s ASP 73 Ca 0.14 -0.67 0.39 0.00 0.43 0.00 0.00 52.55 52.84 1mxl s ASP 73 Cb -0.11 -0.51 1.53 0.00 -0.30 0.00 0.00 42.92 43.53 1mxl s ASP 73 CO 0.03 0.14 1.69 0.15 -0.17 0.00 0.00 175.17 177.01 1mxl h PHE 74 N 3.30 0.00 0.05 -5.34 3.57 -1.98 0.67 116.94 117.22 1mxl h PHE 74 Ca -0.48 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1mxl h PHE 74 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1mxl h PHE 74 CO 0.64 0.00 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.26 1mxl h ASP 75 N 0.00 -0.06 0.10 0.41 3.32 -1.99 -2.76 116.42 115.44 1mxl h ASP 75 Ca 0.62 -0.33 -0.16 0.00 0.02 0.00 0.00 57.03 57.18 1mxl h ASP 75 Cb 2.65 0.02 0.02 0.00 0.22 0.00 0.00 39.33 42.23 1mxl h ASP 75 CO -0.01 0.30 -0.69 -0.33 -1.72 0.00 0.00 179.24 176.80 1mxl h GLU 76 N -0.43 0.28 -0.88 3.56 5.08 -0.82 -3.31 114.58 118.07 1mxl h GLU 76 Ca -0.01 -0.44 0.23 0.00 -1.00 0.00 0.00 59.36 58.14 1mxl h GLU 76 Cb 0.39 0.16 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 1mxl h GLU 76 CO 0.01 1.19 0.11 0.35 -1.00 0.00 0.00 179.01 179.67 1mxl h PHE 77 N -0.40 0.11 -0.68 4.33 3.57 0.06 1.44 116.94 125.38 1mxl h PHE 77 Ca -0.12 0.06 0.20 0.00 3.53 0.00 0.00 57.97 61.64 1mxl h PHE 77 Cb 1.52 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 1mxl h PHE 77 CO 0.20 -0.29 0.50 -0.07 -2.23 0.00 0.00 178.31 176.42 1mxl h LEU 78 N 0.11 0.00 -0.49 0.59 3.38 -1.57 0.51 115.31 117.85 1mxl h LEU 78 Ca 0.53 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.45 1mxl h LEU 78 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1mxl h LEU 78 CO -0.74 0.00 -0.22 0.58 0.09 0.00 0.00 178.44 178.14 1mxl h VAL 79 N 0.00 0.43 0.00 1.22 2.07 0.19 -3.13 116.25 117.03 1mxl h VAL 79 Ca 0.32 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1mxl h VAL 79 Cb 1.32 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1mxl h VAL 79 CO -0.00 0.22 -0.16 -0.03 0.02 0.00 0.00 177.57 177.61 1mxl h MET 80 N 0.00 0.00 0.08 1.57 -1.53 0.26 -2.68 114.93 112.63 1mxl h MET 80 Ca -0.00 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.95 1mxl h MET 80 Cb 0.99 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.02 1mxl h MET 80 CO 0.03 0.16 -1.60 0.52 0.14 0.00 0.00 176.91 176.16 1mxl h MET 81 N 0.00 0.17 -0.47 0.39 2.07 -1.58 -3.35 114.93 112.16 1mxl h MET 81 Ca -0.00 -0.29 0.05 0.00 -2.07 0.00 0.00 59.70 57.39 1mxl h MET 81 Cb 0.30 0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 30.09 1mxl h MET 81 CO 0.02 0.97 0.20 0.28 1.07 0.00 0.00 176.91 179.45 1mxl h VAL 82 N 0.05 0.91 -1.09 -2.22 2.07 -1.47 -0.63 116.25 113.87 1mxl h VAL 82 Ca -0.26 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 67.42 1mxl h VAL 82 Cb 2.00 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1mxl h VAL 82 CO 0.13 0.07 0.75 0.03 0.02 0.00 0.00 177.57 178.57 1mxl h ARG 83 N 0.40 0.17 -1.70 1.57 3.08 -1.64 0.81 114.38 117.08 1mxl h ARG 83 Ca 0.21 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 59.64 1mxl h ARG 83 Cb 0.17 -0.04 -0.23 0.00 0.08 0.00 0.00 29.97 29.95 1mxl h ARG 83 CO -0.18 0.11 0.75 0.00 -1.07 0.00 0.00 179.97 179.58 1mxl s MET 85 N -3.06 3.75 0.06 0.00 -1.94 0.28 -5.05 119.30 113.34 1mxl s MET 85 Ca 0.54 0.21 -0.24 0.00 -1.71 0.00 0.00 55.69 54.49 1mxl s MET 85 Cb 0.41 -3.16 0.06 0.00 2.01 0.00 0.00 34.83 34.15 1mxl s MET 85 CO -0.21 0.68 0.56 0.21 -0.01 0.00 0.00 175.02 176.25 1mxl s LYS 86 N -1.28 1.10 0.05 2.03 2.36 -1.26 -5.14 119.74 117.60 1mxl s LYS 86 Ca 0.24 -0.23 -0.30 0.00 -2.55 0.00 0.00 55.97 53.13 1mxl s LYS 86 Cb -0.15 0.51 -0.05 0.00 -1.05 0.00 0.00 37.83 37.09 1mxl s LYS 86 CO 0.12 -0.41 1.04 0.34 1.55 0.00 0.00 175.35 177.99 1mxl s ASP 87 N -2.06 7.31 0.34 1.43 -1.08 -1.26 -5.04 116.67 116.31 1mxl s ASP 87 Ca -0.04 1.81 0.01 0.00 -0.52 0.00 0.00 52.55 53.81 1mxl s ASP 87 Cb -0.01 -2.58 -0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1mxl s ASP 87 CO -0.03 -0.27 0.03 0.47 0.52 0.00 0.00 175.17 175.89 1mxl n ASP 88 N 3.57 2.41 -0.07 -0.34 9.92 -1.26 -5.35 116.55 125.43 1mxl n ASP 88 Ca 0.06 -2.57 0.01 0.00 -0.53 0.00 0.00 54.79 51.75 1mxl n ASP 88 Cb 0.49 0.41 0.01 0.00 -0.64 0.00 0.00 41.12 41.38 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13