#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 3.88 0.00 7.83 -0.08 -1.26 -4.91 116.55 122.01 1mxl n ASP 2 Ca 0.00 -3.50 0.00 0.00 -1.51 0.00 0.00 54.79 49.78 1mxl n ASP 2 Cb 0.00 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 42.96 1mxl n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1mxl n ASP 3 N -0.31 0.00 0.00 1.67 8.00 -1.26 -4.99 116.55 119.66 1mxl n ASP 3 Ca 0.31 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1mxl n ASP 3 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1mxl n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1mxl n ILE 4 N -0.53 0.00 -0.06 0.53 2.08 -1.26 -3.88 119.36 116.24 1mxl n ILE 4 Ca 0.00 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.26 1mxl n ILE 4 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 39.64 38.87 1mxl n ILE 4 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1mxl n TYR 5 N 0.00 0.43 0.09 1.39 4.02 -1.26 -4.22 117.16 117.61 1mxl n TYR 5 Ca 0.00 0.19 0.20 0.00 -0.01 0.00 0.00 57.90 58.28 1mxl n TYR 5 Cb 0.00 -0.56 0.71 0.00 -0.02 0.00 0.00 39.34 39.47 1mxl n TYR 5 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1mxl h LYS 6 N -0.81 0.00 0.41 -0.72 1.57 -1.95 -1.21 116.57 113.86 1mxl h LYS 6 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1mxl h LYS 6 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1mxl h LYS 6 CO 0.00 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 178.68 1mxl h ALA 7 N 1.34 -0.55 -0.09 3.86 0.00 -1.82 -2.11 119.26 119.90 1mxl h ALA 7 Ca 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1mxl h ALA 7 Cb 1.26 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 1mxl h ALA 7 CO -0.00 -0.79 0.09 0.00 0.00 0.00 0.00 179.25 178.55 1mxl h ALA 8 N -0.01 1.81 -0.13 0.00 0.00 -1.39 -2.19 119.26 117.34 1mxl h ALA 8 Ca -0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1mxl h ALA 8 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1mxl h ALA 8 CO 0.09 -0.13 -0.00 0.28 0.00 0.00 0.00 179.25 179.49 1mxl h VAL 9 N 0.00 1.25 -0.71 0.00 2.07 -1.30 -2.65 116.25 114.91 1mxl h VAL 9 Ca 0.04 -0.83 0.21 0.00 0.82 0.00 0.00 66.70 66.94 1mxl h VAL 9 Cb 0.21 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1mxl h VAL 9 CO -0.00 0.24 0.90 -0.33 0.02 0.00 0.00 177.57 178.40 1mxl h GLU 10 N -0.03 0.00 -0.00 1.57 4.39 -1.00 2.18 114.58 121.68 1mxl h GLU 10 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1mxl h GLU 10 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1mxl h GLU 10 CO 0.01 0.00 -0.06 1.04 -1.16 0.00 0.00 179.01 178.84 1mxl n GLN 11 N -3.33 0.66 -1.52 2.33 3.00 -1.00 -4.72 117.38 112.80 1mxl n GLN 11 Ca 0.15 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.00 56.88 1mxl n GLN 11 Cb 1.14 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.78 1mxl n GLN 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mxl n LEU 12 N -1.05 1.04 -4.06 1.08 7.99 0.73 -4.89 117.00 117.84 1mxl n LEU 12 Ca 0.16 -2.01 -0.21 0.00 -0.01 0.00 0.00 56.01 53.94 1mxl n LEU 12 Cb 0.25 -1.56 0.20 0.00 -0.11 0.00 0.00 43.42 42.19 1mxl n LEU 12 CO 0.23 -3.11 0.23 0.35 -1.51 0.00 0.00 177.39 173.58 1mxl n THR 13 N 8.46 0.00 -0.02 -5.08 -2.24 -1.26 -4.44 114.28 109.70 1mxl n THR 13 Ca 0.40 -0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1mxl n THR 13 Cb 0.45 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 1mxl n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1mxl h GLU 14 N -3.12 0.11 -0.20 -0.78 4.57 -1.99 -1.79 114.58 111.38 1mxl h GLU 14 Ca -0.27 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 57.71 1mxl h GLU 14 Cb 0.90 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1mxl h GLU 14 CO 0.16 0.42 -0.55 1.49 -1.18 0.00 0.00 179.01 179.35 1mxl h GLU 15 N -0.20 0.59 -0.70 1.92 4.22 -1.99 -2.68 114.58 115.74 1mxl h GLU 15 Ca 0.02 -0.37 -0.06 0.00 0.08 0.00 0.00 59.36 59.02 1mxl h GLU 15 Cb 0.37 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1mxl h GLU 15 CO 0.00 0.99 0.19 0.37 -2.18 0.00 0.00 179.01 178.38 1mxl h GLN 16 N 0.45 1.11 0.00 1.92 4.15 -1.87 -2.31 115.11 118.56 1mxl h GLN 16 Ca 0.01 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.09 1mxl h GLN 16 Cb 1.10 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 1mxl h GLN 16 CO 0.11 0.96 -0.45 -0.22 -1.93 0.00 0.00 178.83 177.30 1mxl h LYS 17 N 1.06 0.00 0.00 1.69 3.11 -1.28 -2.51 116.57 118.64 1mxl h LYS 17 Ca 0.22 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.06 1mxl h LYS 17 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1mxl h LYS 17 CO -0.00 0.45 0.00 0.09 -2.81 0.00 0.00 179.45 177.18 1mxl n ASN 18 N -3.70 0.51 -0.08 4.20 3.02 -0.90 -2.72 115.26 115.58 1mxl n ASN 18 Ca -0.01 0.58 -0.14 0.00 -0.03 0.00 0.00 54.58 54.98 1mxl n ASN 18 Cb 0.52 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.89 1mxl n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1mxl h GLU 19 N 0.00 0.00 -0.50 3.52 4.39 -1.05 -3.36 114.58 117.58 1mxl h GLU 19 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1mxl h GLU 19 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1mxl h GLU 19 CO 0.00 0.82 -0.02 0.27 -1.16 0.00 0.00 179.01 178.92 1mxl h PHE 20 N -1.00 0.99 -0.72 4.33 -5.15 -1.62 -2.57 116.94 111.19 1mxl h PHE 20 Ca -0.11 -0.18 0.21 0.00 -0.20 0.00 0.00 57.97 57.69 1mxl h PHE 20 Cb 0.95 -0.25 -0.03 0.00 0.22 0.00 0.00 35.95 36.84 1mxl h PHE 20 CO 0.16 0.93 0.77 1.57 -2.00 0.00 0.00 178.31 179.74 1mxl h LYS 21 N 0.76 0.00 0.27 6.09 5.09 -1.68 -0.34 116.57 126.76 1mxl h LYS 21 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.87 1mxl h LYS 21 Cb 0.55 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.88 1mxl h LYS 21 CO 0.03 0.00 -0.13 0.00 -2.09 0.00 0.00 179.45 177.26 1mxl h ALA 22 N 1.13 -0.36 -0.81 0.07 0.00 -1.59 -2.18 119.26 115.51 1mxl h ALA 22 Ca 0.34 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.20 1mxl h ALA 22 Cb 1.89 0.14 -0.09 0.00 0.00 0.00 0.00 17.79 19.73 1mxl h ALA 22 CO -0.00 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 179.22 1mxl h ALA 23 N -0.49 1.20 -0.27 0.00 0.00 -1.17 0.14 119.26 118.67 1mxl h ALA 23 Ca -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1mxl h ALA 23 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1mxl h ALA 23 CO 0.06 -0.12 -0.09 0.35 0.00 0.00 0.00 179.25 179.45 1mxl h PHE 24 N 0.58 0.46 0.15 0.00 3.04 -1.48 -1.80 116.94 117.89 1mxl h PHE 24 Ca 0.44 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1mxl h PHE 24 Cb 0.62 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1mxl h PHE 24 CO -0.11 0.53 -0.07 0.22 -2.02 0.00 0.00 178.31 176.85 1mxl h ASP 25 N 0.41 -0.17 -0.00 0.41 3.58 -0.12 -3.00 116.42 117.53 1mxl h ASP 25 Ca 0.08 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1mxl h ASP 25 Cb 0.42 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1mxl h ASP 25 CO 0.02 0.31 0.00 0.40 -2.88 0.00 0.00 179.24 177.10 1mxl h ILE 26 N -0.72 0.65 -0.20 2.25 5.03 -1.12 -1.44 117.51 121.97 1mxl h ILE 26 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.70 1mxl h ILE 26 Cb 0.51 1.00 -0.01 0.00 -3.03 0.00 0.00 36.82 35.29 1mxl h ILE 26 CO 0.03 0.00 0.04 -0.26 -0.68 0.00 0.00 178.15 177.28 1mxl h PHE 27 N 0.00 0.34 -0.42 1.37 0.04 -1.21 -2.72 116.94 114.33 1mxl h PHE 27 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1mxl h PHE 27 Cb 0.00 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1mxl h PHE 27 CO 0.00 0.46 0.00 1.33 -0.60 0.00 0.00 178.31 179.50 1mxl n VAL 28 N -4.76 0.98 -1.48 -0.55 0.24 -0.86 -4.02 118.33 107.88 1mxl n VAL 28 Ca -0.04 -0.69 -0.43 0.00 -2.04 0.00 0.00 64.34 61.13 1mxl n VAL 28 Cb 0.18 0.08 -0.11 0.00 -1.47 0.00 0.00 33.84 32.52 1mxl n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1mxl n LEU 29 N 0.68 1.11 0.00 1.34 4.77 -0.60 0.22 117.00 124.52 1mxl n LEU 29 Ca 0.16 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1mxl n LEU 29 Cb 0.54 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1mxl n LEU 29 CO 0.14 -0.94 0.00 0.61 -1.33 0.00 0.00 177.39 175.87 1mxl n GLY 30 N 6.50 0.61 3.74 -0.72 0.00 -1.26 -5.07 105.19 108.99 1mxl n GLY 30 Ca 0.54 0.00 -0.41 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 -2.00 3.51 0.39 4.61 0.00 0.59 -4.90 121.76 123.96 1mxl s ALA 31 Ca 0.00 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.33 1mxl s ALA 31 Cb 0.00 -3.47 1.37 0.00 0.00 0.00 0.00 23.12 21.02 1mxl s ALA 31 CO 0.00 -0.52 2.04 1.49 0.00 0.00 0.00 175.76 178.77 1mxl h GLU 32 N 5.00 0.00 0.00 0.00 4.22 -1.95 -3.32 114.58 118.53 1mxl h GLU 32 Ca -0.45 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 58.90 1mxl h GLU 32 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1mxl h GLU 32 CO 0.75 0.14 -1.30 -3.47 -2.18 0.00 0.00 179.01 172.94 1mxl n ASP 33 N -3.66 2.50 0.00 1.04 2.03 -1.26 -5.04 116.55 112.16 1mxl n ASP 33 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1mxl n ASP 33 Cb 0.26 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 3.04 1.09 3.69 0.27 0.00 -1.25 -5.13 105.19 106.90 1mxl n GLY 34 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.18 1.13 -0.36 0.00 1.01 -0.93 -4.59 121.20 114.29 1mxl s ILE 36 Ca 0.66 -1.06 0.12 0.00 0.00 0.00 0.00 60.65 60.37 1mxl s ILE 36 Cb -0.03 -1.04 0.41 0.00 0.01 0.00 0.00 42.46 41.81 1mxl s ILE 36 CO 0.44 -0.03 1.43 -1.20 0.00 0.00 0.00 174.94 175.59 1mxl n SER 37 N 1.79 -1.40 0.00 3.58 7.64 -1.26 -2.22 113.62 121.75 1mxl n SER 37 Ca -0.18 -2.32 0.00 0.00 1.01 0.00 0.00 58.87 57.37 1mxl n SER 37 Cb 0.55 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.47 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 -1.09 0.00 -0.32 0.44 -2.24 -1.26 -4.49 114.28 105.32 1mxl n THR 38 Ca -0.10 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 61.90 1mxl n THR 38 Cb 0.86 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.40 0.04 -0.78 3.11 -1.98 2.27 116.57 119.63 1mxl h LYS 39 Ca 0.00 -0.02 -0.35 0.00 -2.81 0.00 0.00 60.65 57.47 1mxl h LYS 39 Cb 0.00 -0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 31.09 1mxl h LYS 39 CO 0.00 0.26 -2.08 0.39 -2.81 0.00 0.00 179.45 175.21 1mxl n GLU 40 N -4.64 0.69 -0.03 1.90 4.71 -1.26 -4.06 120.64 117.94 1mxl n GLU 40 Ca 0.25 0.20 -0.15 0.00 -0.01 0.00 0.00 57.16 57.45 1mxl n GLU 40 Cb 0.86 -1.66 -0.11 0.00 -1.01 0.00 0.00 31.44 29.52 1mxl n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1mxl h LEU 41 N 0.02 0.20 -1.51 -4.62 7.12 -1.25 -3.24 115.31 112.03 1mxl h LEU 41 Ca -0.44 -0.75 0.18 0.00 0.13 0.00 0.00 57.88 57.01 1mxl h LEU 41 Cb 2.04 -0.06 -0.06 0.00 -0.53 0.00 0.00 40.66 42.05 1mxl h LEU 41 CO 0.04 0.92 0.57 1.23 -0.13 0.00 0.00 178.44 181.08 1mxl h GLY 42 N -0.50 0.85 0.25 3.75 0.00 0.35 0.61 103.07 108.38 1mxl h GLY 42 Ca -0.02 -0.19 0.18 0.00 0.00 0.00 0.00 47.33 47.29 1mxl h GLY 42 CO 0.04 0.02 0.70 0.50 0.00 0.00 0.00 176.54 177.80 1mxl h LYS 43 N 0.43 0.00 0.13 4.80 1.57 -1.67 0.60 116.57 122.43 1mxl h LYS 43 Ca 0.44 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.93 1mxl h LYS 43 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1mxl h LYS 43 CO -0.16 0.00 -1.49 0.28 -0.57 0.00 0.00 179.45 177.51 1mxl h VAL 44 N 0.00 1.01 -0.93 0.50 2.07 -1.06 -3.24 116.25 114.60 1mxl h VAL 44 Ca 0.30 -2.43 0.19 0.00 0.82 0.00 0.00 66.70 65.58 1mxl h VAL 44 Cb 1.69 2.73 -0.18 0.00 -1.52 0.00 0.00 31.29 34.02 1mxl h VAL 44 CO -0.00 0.74 -0.23 0.24 0.02 0.00 0.00 177.57 178.34 1mxl h MET 45 N -0.20 0.00 0.00 1.57 2.86 -0.91 2.34 114.93 120.58 1mxl h MET 45 Ca -0.31 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1mxl h MET 45 Cb 1.84 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1mxl h MET 45 CO 0.09 0.00 0.00 0.07 1.06 0.00 0.00 176.91 178.13 1mxl h ARG 46 N 0.00 0.00 0.14 1.72 0.11 -1.48 -1.75 114.38 113.11 1mxl h ARG 46 Ca 0.45 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 60.20 1mxl h ARG 46 Cb 0.68 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 1mxl h ARG 46 CO -0.96 0.00 -1.69 1.98 0.10 0.00 0.00 179.97 179.40 1mxl h MET 47 N 0.00 0.29 -0.08 0.08 4.05 0.35 -3.32 114.93 116.29 1mxl h MET 47 Ca 0.00 -0.49 -0.06 0.00 -0.28 0.00 0.00 59.70 58.87 1mxl h MET 47 Cb 0.67 0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 1mxl h MET 47 CO 0.00 1.16 -0.24 -0.07 0.23 0.00 0.00 176.91 177.99 1mxl h LEU 48 N 0.08 0.13 0.00 3.39 3.38 0.62 -3.46 115.31 119.45 1mxl h LEU 48 Ca -0.31 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1mxl h LEU 48 Cb 2.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1mxl h LEU 48 CO 0.15 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1mxl n GLY 49 N -0.70 1.77 3.20 0.83 0.00 -1.19 -5.11 105.19 103.99 1mxl n GLY 49 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1mxl n GLY 49 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1mxl n GLN 50 N 0.00 0.66 -3.10 1.61 -0.06 -0.66 -5.04 117.38 110.79 1mxl n GLN 50 Ca 0.00 -2.69 0.02 0.00 -2.00 0.00 0.00 57.00 52.33 1mxl n GLN 50 Cb 0.00 2.57 -0.01 0.00 -4.06 0.00 0.00 30.24 28.75 1mxl n GLN 50 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1mxl s ASN 51 N -3.07 -1.23 0.60 1.69 4.22 -1.26 -2.79 114.94 113.10 1mxl s ASN 51 Ca 0.28 -0.53 0.00 0.00 -2.14 0.00 0.00 52.86 50.47 1mxl s ASN 51 Cb -0.01 1.59 0.00 0.00 1.28 0.00 0.00 41.25 44.11 1mxl s ASN 51 CO 0.20 -0.15 0.00 -0.81 -2.04 0.00 0.00 177.10 174.31 1mxl n PRO 52 N 4.35 0.01 -2.74 3.55 -0.04 -1.26 -5.03 135.00 133.84 1mxl n PRO 52 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 1mxl n PRO 52 Cb 0.58 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.60 4.93 0.15 0.52 -4.23 -1.26 -4.99 115.64 110.16 1mxl s THR 53 Ca 0.00 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1mxl s THR 53 Cb 0.00 -3.86 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 1mxl s THR 53 CO 0.00 -0.80 1.44 1.55 -0.54 0.00 0.00 174.62 176.27 1mxl h PRO 54 N 0.35 0.73 -0.02 3.99 0.13 -2.00 -2.64 132.00 132.54 1mxl h PRO 54 Ca -0.47 -0.48 -0.05 0.00 -0.87 0.00 0.00 66.00 64.13 1mxl h PRO 54 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1mxl h PRO 54 CO 0.62 1.10 -0.23 1.49 -0.23 0.00 0.00 178.00 180.75 1mxl h GLU 55 N 0.56 0.03 0.00 0.86 4.57 -2.03 -2.18 114.58 116.39 1mxl h GLU 55 Ca 0.01 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1mxl h GLU 55 Cb 1.16 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1mxl h GLU 55 CO 0.12 0.27 -0.58 0.93 -1.18 0.00 0.00 179.01 178.57 1mxl h GLU 56 N 0.03 0.00 0.39 1.92 5.08 -1.93 -3.34 114.58 116.74 1mxl h GLU 56 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1mxl h GLU 56 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1mxl h GLU 56 CO 0.03 0.58 -0.39 1.25 -1.00 0.00 0.00 179.01 179.47 1mxl h LEU 57 N 0.00 -1.08 -1.04 1.33 6.46 -1.02 -1.68 115.31 118.28 1mxl h LEU 57 Ca -0.01 0.09 0.37 0.00 -0.12 0.00 0.00 57.88 58.21 1mxl h LEU 57 Cb 1.39 0.36 -0.16 0.00 -0.73 0.00 0.00 40.66 41.51 1mxl h LEU 57 CO 0.08 -0.52 0.58 -0.61 -0.62 0.00 0.00 178.44 177.35 1mxl h GLN 58 N -0.79 0.18 -0.70 1.25 -0.00 -1.68 0.26 115.11 113.63 1mxl h GLN 58 Ca -0.05 -0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.72 1mxl h GLN 58 Cb 0.68 -0.04 -0.13 0.00 0.00 0.00 0.00 27.48 27.99 1mxl h GLN 58 CO -0.05 0.12 -0.27 1.49 0.00 0.00 0.00 178.83 180.12 1mxl h GLU 59 N 0.19 -0.07 -1.01 1.69 4.57 -1.44 1.09 114.58 119.60 1mxl h GLU 59 Ca 0.78 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 59.22 1mxl h GLU 59 Cb 1.96 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 30.48 1mxl h GLU 59 CO -0.65 -0.05 0.66 0.52 -1.18 0.00 0.00 179.01 178.32 1mxl h MET 60 N -0.07 0.38 0.01 1.92 2.86 -0.50 0.36 114.93 119.88 1mxl h MET 60 Ca 0.30 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.90 1mxl h MET 60 Cb 0.55 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1mxl h MET 60 CO -0.75 0.25 -0.07 0.82 1.06 0.00 0.00 176.91 178.22 1mxl h ILE 61 N 0.39 1.68 0.00 -1.22 5.03 0.10 -3.20 117.51 120.29 1mxl h ILE 61 Ca 0.56 -2.11 0.00 0.00 -0.12 0.00 0.00 64.86 63.20 1mxl h ILE 61 Cb 1.45 3.10 0.00 0.00 -3.03 0.00 0.00 36.82 38.34 1mxl h ILE 61 CO -0.26 0.55 0.00 -0.78 -0.68 0.00 0.00 178.15 176.99 1mxl h ASP 62 N -0.82 0.00 0.59 1.72 3.58 0.74 -0.70 116.42 121.54 1mxl h ASP 62 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1mxl h ASP 62 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1mxl h ASP 62 CO 0.01 0.00 0.00 -0.08 -2.88 0.00 0.00 179.24 176.29 1mxl h GLU 63 N 0.00 0.00 -0.31 0.28 4.81 -0.34 -3.13 114.58 115.90 1mxl h GLU 63 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1mxl h GLU 63 Cb 0.05 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.03 1mxl h GLU 63 CO 0.00 0.00 -1.08 1.33 -0.73 0.00 0.00 179.01 178.53 1mxl n VAL 64 N -2.65 0.92 -3.54 0.32 0.24 -0.29 -4.86 118.33 108.46 1mxl n VAL 64 Ca 0.00 -2.38 -0.41 0.00 -2.04 0.00 0.00 64.34 59.51 1mxl n VAL 64 Cb 0.20 1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.72 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 -3.29 5.84 -0.25 -1.34 -1.08 -1.09 -4.84 116.67 110.62 1mxl s ASP 65 Ca 0.28 -2.42 0.03 0.00 -0.52 0.00 0.00 52.55 49.92 1mxl s ASP 65 Cb 0.34 -2.02 0.40 0.00 -1.46 0.00 0.00 42.92 40.18 1mxl s ASP 65 CO -0.07 -0.56 1.52 1.21 0.52 0.00 0.00 175.17 177.78 1mxl n GLU 66 N 4.21 1.86 0.00 4.34 2.13 -1.26 -4.26 120.64 127.65 1mxl n GLU 66 Ca 0.03 -1.77 0.00 0.00 0.66 0.00 0.00 57.16 56.08 1mxl n GLU 66 Cb 0.41 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1mxl n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1mxl n ASP 67 N -0.40 0.00 0.00 4.31 5.68 -1.26 -5.05 116.55 119.83 1mxl n ASP 67 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.63 1mxl n ASP 67 Cb 1.16 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.20 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 0.99 1.31 0.00 6.12 0.00 -1.26 -4.97 105.19 107.38 1mxl n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.43 1.61 3.41 -1.26 -4.82 113.62 112.13 1mxl n SER 69 Ca 0.00 0.36 -0.06 0.00 -0.26 0.00 0.00 58.87 58.92 1mxl n SER 69 Cb 0.00 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.08 0.73 3.20 5.00 0.00 -1.26 -4.97 105.19 107.81 1mxl n GLY 70 Ca 0.04 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.93 0.19 0.19 2.61 -4.23 -1.26 -4.68 115.64 106.54 1mxl s THR 71 Ca 0.00 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1mxl s THR 71 Cb 0.00 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1mxl s THR 71 CO 0.00 -0.24 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.96 1mxl s VAL 72 N -4.01 2.01 0.37 2.29 1.01 -0.94 -4.87 120.40 116.26 1mxl s VAL 72 Ca 0.31 -2.06 0.03 0.00 0.00 0.00 0.00 61.98 60.27 1mxl s VAL 72 Cb 0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1mxl s VAL 72 CO 0.07 -0.33 0.10 -0.62 0.00 0.00 0.00 175.10 174.32 1mxl s ASP 73 N -2.89 2.57 0.24 3.32 -1.08 -1.26 -2.19 116.67 115.37 1mxl s ASP 73 Ca 0.20 -1.54 0.16 0.00 -0.52 0.00 0.00 52.55 50.85 1mxl s ASP 73 Cb -0.05 0.26 0.87 0.00 -1.46 0.00 0.00 42.92 42.54 1mxl s ASP 73 CO 0.08 -0.79 1.49 0.33 0.52 0.00 0.00 175.17 176.81 1mxl n PHE 74 N -0.81 0.55 -0.07 -5.34 7.35 -1.26 -0.99 117.46 116.88 1mxl n PHE 74 Ca -0.05 0.28 -0.08 0.00 -0.76 0.00 0.00 57.45 56.85 1mxl n PHE 74 Cb 0.66 -0.96 -0.04 0.00 0.35 0.00 0.00 39.48 39.49 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 0.44 -2.13 3.58 -2.00 -3.36 116.42 112.95 1mxl h ASP 75 Ca 0.00 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.23 1mxl h ASP 75 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1mxl h ASP 75 CO 0.00 0.89 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.70 1mxl h GLU 76 N -1.00 0.00 -0.98 0.28 5.08 -1.83 -2.82 114.58 113.31 1mxl h GLU 76 Ca -0.08 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 1mxl h GLU 76 Cb 0.62 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1mxl h GLU 76 CO -0.05 0.22 0.63 0.35 -1.00 0.00 0.00 179.01 179.16 1mxl h PHE 77 N 0.00 1.16 -0.69 4.33 3.04 -1.23 -1.97 116.94 121.58 1mxl h PHE 77 Ca -0.00 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.08 1mxl h PHE 77 Cb 0.50 -0.38 -0.08 0.00 2.56 0.00 0.00 35.95 38.55 1mxl h PHE 77 CO 0.00 0.59 0.30 -0.07 -2.02 0.00 0.00 178.31 177.11 1mxl h LEU 78 N 1.13 0.34 -0.18 0.59 3.38 -1.64 -1.93 115.31 117.00 1mxl h LEU 78 Ca 0.43 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.51 1mxl h LEU 78 Cb 0.19 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1mxl h LEU 78 CO -0.18 0.18 -0.07 0.58 0.09 0.00 0.00 178.44 179.04 1mxl h VAL 79 N 0.50 0.75 -0.29 1.22 2.07 -1.50 0.41 116.25 119.41 1mxl h VAL 79 Ca 0.35 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.96 1mxl h VAL 79 Cb 0.43 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1mxl h VAL 79 CO -0.31 0.00 0.64 -0.03 0.02 0.00 0.00 177.57 177.89 1mxl h MET 80 N -0.05 0.00 0.00 1.57 -1.53 -1.29 1.48 114.93 115.11 1mxl h MET 80 Ca 0.10 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.36 1mxl h MET 80 Cb 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.24 1mxl h MET 80 CO -0.21 0.00 -0.76 -1.33 0.14 0.00 0.00 176.91 174.74 1mxl n MET 81 N -3.11 0.26 0.06 0.39 2.00 0.11 -4.13 117.12 112.70 1mxl n MET 81 Ca 0.05 0.04 -0.20 0.00 0.00 0.00 0.00 57.70 57.59 1mxl n MET 81 Cb 0.76 -1.63 -0.15 0.00 0.00 0.00 0.00 33.22 32.20 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 1.50 -1.43 2.03 2.07 0.23 -3.27 116.25 117.38 1mxl h VAL 82 Ca 0.00 -2.55 0.41 0.00 0.82 0.00 0.00 66.70 65.38 1mxl h VAL 82 Cb 0.72 3.19 -0.06 0.00 -1.52 0.00 0.00 31.29 33.62 1mxl h VAL 82 CO 0.00 0.73 1.02 0.03 0.02 0.00 0.00 177.57 179.37 1mxl h ARG 83 N -0.33 0.01 0.00 1.57 3.08 -1.67 1.99 114.38 119.04 1mxl h ARG 83 Ca -0.15 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1mxl h ARG 83 Cb 1.69 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 1mxl h ARG 83 CO 0.16 0.01 -0.44 0.00 -1.07 0.00 0.00 179.97 178.63 1mxl s MET 85 N -3.01 3.13 0.11 0.00 -1.94 0.68 -4.63 119.30 113.65 1mxl s MET 85 Ca 0.11 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.23 1mxl s MET 85 Cb 0.18 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.83 1mxl s MET 85 CO 0.68 -1.59 0.00 1.17 -0.01 0.00 0.00 175.02 175.27 1mxl n LYS 86 N 7.07 0.00 -3.70 2.03 4.81 -1.26 -4.98 118.16 122.13 1mxl n LYS 86 Ca -0.05 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.40 1mxl n LYS 86 Cb 0.45 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 1mxl n LYS 86 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1mxl s ASP 87 N -1.24 -0.06 -0.72 3.14 -1.08 -1.26 -5.08 116.67 110.38 1mxl s ASP 87 Ca 0.00 -0.20 -0.33 0.00 -0.52 0.00 0.00 52.55 51.50 1mxl s ASP 87 Cb 0.00 0.21 -0.17 0.00 -1.46 0.00 0.00 42.92 41.49 1mxl s ASP 87 CO 0.00 -0.39 2.47 -0.90 0.52 0.00 0.00 175.17 176.87 1mxl n ASP 88 N -0.61 1.00 0.00 -0.34 5.75 -1.26 -5.17 116.55 115.93 1mxl n ASP 88 Ca -0.06 0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1mxl n ASP 88 Cb 0.62 -1.08 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1mxl n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55