#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 -0.43 0.00 6.12 -1.08 -1.26 -5.18 116.67 114.84 1mxl s ASP 2 Ca 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 1mxl s ASP 2 Cb 0.00 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 1mxl s ASP 2 CO 0.00 -0.55 0.00 0.47 0.52 0.00 0.00 175.17 175.61 1mxl n ASP 3 N 0.27 1.65 0.00 -0.34 8.00 -1.26 -4.48 116.55 120.39 1mxl n ASP 3 Ca -0.12 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1mxl n ASP 3 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.06 0.00 -0.02 0.53 5.41 -1.26 -3.99 119.36 119.97 1mxl n ILE 4 Ca 0.00 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.59 1mxl n ILE 4 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 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 0.00 0.32 -0.62 1.39 0.05 -1.99 -3.15 116.97 112.97 1mxl h TYR 5 Ca 0.00 -0.17 0.18 0.00 0.05 0.00 0.00 58.73 58.79 1mxl h TYR 5 Cb 0.00 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 1mxl h TYR 5 CO 0.00 0.98 0.82 0.87 -1.05 0.00 0.00 178.16 179.78 1mxl h LYS 6 N -0.42 0.00 -0.24 4.88 1.57 -1.79 0.41 116.57 120.99 1mxl h LYS 6 Ca -0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1mxl h LYS 6 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.36 1mxl h LYS 6 CO 0.06 0.00 -0.17 0.00 -0.57 0.00 0.00 179.45 178.77 1mxl h ALA 7 N 0.94 0.34 -0.51 3.86 0.00 -1.87 -2.73 119.26 119.29 1mxl h ALA 7 Ca 0.29 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1mxl h ALA 7 Cb 1.94 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1mxl h ALA 7 CO -0.00 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.53 1mxl h ALA 8 N 0.69 0.68 -0.30 0.00 0.00 -0.32 -2.14 119.26 117.87 1mxl h ALA 8 Ca 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1mxl h ALA 8 Cb 0.71 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1mxl h ALA 8 CO 0.05 0.46 -0.02 0.28 0.00 0.00 0.00 179.25 180.02 1mxl h VAL 9 N 0.75 0.75 0.00 0.00 2.07 -1.45 0.16 116.25 118.53 1mxl h VAL 9 Ca 0.15 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1mxl h VAL 9 Cb 0.48 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1mxl h VAL 9 CO 0.02 0.01 0.00 1.21 0.02 0.00 0.00 177.57 178.83 1mxl n GLU 10 N -5.19 0.17 -1.82 1.57 2.13 -1.03 -3.01 120.64 113.47 1mxl n GLU 10 Ca 0.00 0.42 -0.36 0.00 0.66 0.00 0.00 57.16 57.88 1mxl n GLU 10 Cb 0.16 -1.84 0.05 0.00 0.27 0.00 0.00 31.44 30.08 1mxl n GLU 10 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1mxl n GLN 11 N -2.17 2.87 -3.54 5.31 3.00 0.55 -4.88 117.38 118.52 1mxl n GLN 11 Ca 0.02 -3.61 -0.41 0.00 -0.01 0.00 0.00 57.00 52.99 1mxl n GLN 11 Cb 0.22 -2.27 -0.06 0.00 0.00 0.00 0.00 30.24 28.12 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 -3.91 5.92 0.91 1.08 1.43 -1.16 -4.95 118.68 118.00 1mxl s LEU 12 Ca 0.55 -2.83 -0.14 0.00 -1.03 0.00 0.00 54.13 50.68 1mxl s LEU 12 Cb 0.45 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1mxl s LEU 12 CO -0.24 -0.45 0.17 0.35 0.23 0.00 0.00 176.35 176.41 1mxl n THR 13 N 3.64 0.31 -0.28 5.49 -2.24 -1.26 -4.39 114.28 115.55 1mxl n THR 13 Ca 0.11 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1mxl n THR 13 Cb 0.42 -0.50 0.23 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.20 0.46 0.00 -0.78 4.11 -2.00 0.74 114.58 115.90 1mxl h GLU 14 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1mxl h GLU 14 Cb 1.30 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1mxl h GLU 14 CO 0.34 0.30 0.00 -0.85 0.07 0.00 0.00 179.01 178.87 1mxl n GLU 15 N -4.99 0.15 -0.06 1.06 -0.00 -1.26 -1.89 120.64 113.66 1mxl n GLU 15 Ca 0.17 0.54 -0.02 0.00 -0.00 0.00 0.00 57.16 57.85 1mxl n GLU 15 Cb 0.50 -1.90 -0.01 0.00 -0.00 0.00 0.00 31.44 30.03 1mxl n GLU 15 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1mxl h GLN 16 N 0.00 0.00 -0.93 3.44 5.75 0.23 -3.30 115.11 120.30 1mxl h GLN 16 Ca 0.00 0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1mxl h GLN 16 Cb 0.14 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.64 1mxl h GLN 16 CO 0.00 0.00 0.61 0.87 -2.65 0.00 0.00 178.83 177.66 1mxl h LYS 17 N -0.91 1.08 0.00 1.69 1.57 -1.45 0.64 116.57 119.19 1mxl h LYS 17 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1mxl h LYS 17 Cb 0.27 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1mxl h LYS 17 CO 0.00 0.71 0.00 -2.95 -0.57 0.00 0.00 179.45 176.64 1mxl h ASN 18 N 1.11 0.00 0.29 0.86 -1.07 -1.56 -0.73 115.58 114.48 1mxl h ASN 18 Ca 0.39 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.43 1mxl h ASN 18 Cb 0.12 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.35 1mxl h ASN 18 CO -0.14 0.00 -1.85 -0.08 0.07 0.00 0.00 177.43 175.44 1mxl h GLU 19 N 0.00 0.18 0.07 4.14 4.81 -0.95 -3.37 114.58 119.45 1mxl h GLU 19 Ca 0.00 -0.31 -0.25 0.00 -0.13 0.00 0.00 59.36 58.68 1mxl h GLU 19 Cb 0.18 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1mxl h GLU 19 CO 0.00 0.97 -1.10 0.74 -0.73 0.00 0.00 179.01 178.88 1mxl h PHE 20 N 0.05 0.44 -1.01 0.92 -1.00 -1.07 -3.26 116.94 112.01 1mxl h PHE 20 Ca -0.36 -0.29 0.24 0.00 2.81 0.00 0.00 57.97 60.38 1mxl h PHE 20 Cb 2.03 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 41.47 1mxl h PHE 20 CO 0.05 1.18 0.65 0.87 -1.61 0.00 0.00 178.31 179.45 1mxl h LYS 21 N 0.10 0.44 0.67 1.51 1.79 -1.31 -0.44 116.57 119.32 1mxl h LYS 21 Ca -0.10 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1mxl h LYS 21 Cb 1.80 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.34 1mxl h LYS 21 CO 0.18 0.29 -0.47 0.00 -1.08 0.00 0.00 179.45 178.37 1mxl h ALA 22 N 1.62 -1.15 0.32 3.86 0.00 -1.73 -1.06 119.26 121.13 1mxl h ALA 22 Ca 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1mxl h ALA 22 Cb 1.35 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1mxl h ALA 22 CO -0.29 -1.17 -0.16 0.00 0.00 0.00 0.00 179.25 177.64 1mxl h ALA 23 N -0.93 -0.44 -1.08 0.00 0.00 -1.48 -2.00 119.26 113.33 1mxl h ALA 23 Ca -0.09 -0.12 0.33 0.00 0.00 0.00 0.00 54.91 55.04 1mxl h ALA 23 Cb 0.89 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.72 1mxl h ALA 23 CO 0.05 -0.71 0.65 0.35 0.00 0.00 0.00 179.25 179.59 1mxl h PHE 24 N -0.51 0.80 -0.04 0.00 3.57 -1.07 0.11 116.94 119.80 1mxl h PHE 24 Ca -0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1mxl h PHE 24 Cb 0.38 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1mxl h PHE 24 CO -0.04 -0.13 -0.09 0.22 -2.23 0.00 0.00 178.31 176.04 1mxl h ASP 25 N 0.30 0.16 -0.84 0.41 1.82 -0.73 -3.21 116.42 114.33 1mxl h ASP 25 Ca 0.72 -0.58 0.21 0.00 -0.39 0.00 0.00 57.03 57.00 1mxl h ASP 25 Cb 1.81 -0.04 -0.13 0.00 0.68 0.00 0.00 39.33 41.65 1mxl h ASP 25 CO -0.51 0.70 0.23 0.40 -1.61 0.00 0.00 179.24 178.46 1mxl h ILE 26 N -0.39 0.39 -0.06 2.25 2.04 -0.08 0.24 117.51 121.90 1mxl h ILE 26 Ca 0.00 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1mxl h ILE 26 Cb 0.68 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1mxl h ILE 26 CO 0.02 0.05 -0.14 -0.26 0.00 0.00 0.00 178.15 177.82 1mxl h PHE 27 N 0.25 -0.36 -0.65 1.37 0.04 -1.43 -1.81 116.94 114.35 1mxl h PHE 27 Ca 0.51 0.02 -0.38 0.00 2.80 0.00 0.00 57.97 60.92 1mxl h PHE 27 Cb 0.97 0.17 -0.20 0.00 2.20 0.00 0.00 35.95 39.09 1mxl h PHE 27 CO -0.26 -0.21 0.48 1.33 -0.60 0.00 0.00 178.31 179.06 1mxl n VAL 28 N -5.28 2.66 0.18 -0.55 0.24 -0.10 -3.93 118.33 111.56 1mxl n VAL 28 Ca -0.04 -1.55 0.04 0.00 -2.04 0.00 0.00 64.34 60.75 1mxl n VAL 28 Cb 0.20 -0.88 0.18 0.00 -1.47 0.00 0.00 33.84 31.87 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 -0.39 0.10 -1.47 1.34 0.00 -0.23 -2.00 117.00 114.36 1mxl n LEU 29 Ca 0.40 0.54 0.02 0.00 0.00 0.00 0.00 56.01 56.96 1mxl n LEU 29 Cb 1.03 -0.54 0.08 0.00 0.00 0.00 0.00 43.42 43.99 1mxl n LEU 29 CO 0.44 -0.48 0.15 0.61 0.00 0.00 0.00 177.39 178.11 1mxl n GLY 30 N -0.96 2.82 3.74 -3.96 0.00 -1.26 -5.07 105.19 100.50 1mxl n GLY 30 Ca 0.01 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.82 3.41 -0.18 4.61 0.00 -0.85 -5.04 121.76 121.88 1mxl s ALA 31 Ca 0.36 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1mxl s ALA 31 Cb 0.38 -1.13 -0.17 0.00 0.00 0.00 0.00 23.12 22.20 1mxl s ALA 31 CO -0.10 0.35 -0.06 0.39 0.00 0.00 0.00 175.76 176.33 1mxl n GLU 32 N -0.75 0.94 0.08 0.00 4.71 -1.26 -4.54 120.64 119.82 1mxl n GLU 32 Ca -0.08 0.06 -0.19 0.00 -0.01 0.00 0.00 57.16 56.93 1mxl n GLU 32 Cb 0.57 -1.41 -0.11 0.00 -1.01 0.00 0.00 31.44 29.48 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 0.75 0.00 1.62 3.32 -1.98 -3.47 116.42 116.66 1mxl h ASP 33 Ca -0.45 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 55.93 1mxl h ASP 33 Cb 1.86 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.17 1mxl h ASP 33 CO -0.02 1.48 0.00 0.61 -1.72 0.00 0.00 179.24 179.59 1mxl n GLY 34 N 1.25 1.25 3.44 2.75 0.00 -1.26 -5.11 105.19 107.52 1mxl n GLY 34 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.19 4.80 -0.25 0.00 1.01 -0.37 -4.79 121.20 120.41 1mxl s ILE 36 Ca 0.17 0.55 0.11 0.00 0.00 0.00 0.00 60.65 61.48 1mxl s ILE 36 Cb -0.10 -3.82 0.32 0.00 0.01 0.00 0.00 42.46 38.87 1mxl s ILE 36 CO 0.09 -0.84 1.39 -1.20 0.00 0.00 0.00 174.94 174.38 1mxl n SER 37 N -2.11 -1.15 0.00 3.58 7.64 -1.26 -1.95 113.62 118.37 1mxl n SER 37 Ca 0.03 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1mxl n SER 37 Cb 0.54 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 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 -1.11 0.00 -0.15 0.44 -2.24 -1.26 -4.42 114.28 105.54 1mxl n THR 38 Ca -0.18 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 1mxl n THR 38 Cb 0.84 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.55 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 0.46 0.10 -0.78 1.57 -1.97 1.72 116.57 117.67 1mxl h LYS 39 Ca 0.00 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.43 1mxl h LYS 39 Cb 0.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1mxl h LYS 39 CO 0.00 0.30 -1.70 0.93 -0.57 0.00 0.00 179.45 178.41 1mxl h GLU 40 N 0.47 0.21 0.08 3.15 4.39 -1.78 -3.33 114.58 117.78 1mxl h GLU 40 Ca 0.35 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1mxl h GLU 40 Cb 0.69 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1mxl h GLU 40 CO -0.11 1.03 -0.04 1.25 -1.16 0.00 0.00 179.01 179.98 1mxl h LEU 41 N 0.06 -0.09 -1.58 1.33 7.12 -1.38 -3.21 115.31 117.56 1mxl h LEU 41 Ca -0.30 -0.51 0.41 0.00 0.13 0.00 0.00 57.88 57.60 1mxl h LEU 41 Cb 2.02 0.02 -0.10 0.00 -0.53 0.00 0.00 40.66 42.08 1mxl h LEU 41 CO 0.13 0.57 0.90 1.23 -0.13 0.00 0.00 178.44 181.14 1mxl h GLY 42 N -0.86 0.88 -0.56 3.75 0.00 0.24 0.24 103.07 106.75 1mxl h GLY 42 Ca -0.01 -0.10 0.27 0.00 0.00 0.00 0.00 47.33 47.50 1mxl h GLY 42 CO 0.02 -0.22 0.32 0.50 0.00 0.00 0.00 176.54 177.16 1mxl h LYS 43 N 0.12 0.20 -0.36 4.80 1.79 -1.66 0.43 116.57 121.89 1mxl h LYS 43 Ca 0.75 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 59.12 1mxl h LYS 43 Cb 2.49 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 33.09 1mxl h LYS 43 CO -0.27 0.13 -0.12 0.28 -1.08 0.00 0.00 179.45 178.39 1mxl h VAL 44 N 0.20 1.28 -1.34 0.50 2.07 -0.71 -2.68 116.25 115.58 1mxl h VAL 44 Ca 0.63 -1.21 0.45 0.00 0.82 0.00 0.00 66.70 67.39 1mxl h VAL 44 Cb 1.35 1.31 -0.13 0.00 -1.52 0.00 0.00 31.29 32.30 1mxl h VAL 44 CO -0.68 0.40 0.86 0.24 0.02 0.00 0.00 177.57 178.41 1mxl h MET 45 N 0.51 0.05 0.13 1.57 2.86 -0.18 0.97 114.93 120.83 1mxl h MET 45 Ca 0.09 -0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.40 1mxl h MET 45 Cb 0.64 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.29 1mxl h MET 45 CO 0.04 0.03 -1.66 0.00 1.06 0.00 0.00 176.91 176.39 1mxl h ARG 46 N 0.05 0.28 -0.08 1.72 3.08 -1.38 -1.50 114.38 116.55 1mxl h ARG 46 Ca 0.85 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 1mxl h ARG 46 Cb 2.68 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 32.90 1mxl h ARG 46 CO -0.45 1.14 -0.20 0.52 -1.07 0.00 0.00 179.97 179.91 1mxl h MET 47 N 0.08 0.12 -0.22 0.04 2.86 0.11 -2.69 114.93 115.23 1mxl h MET 47 Ca -0.29 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.11 1mxl h MET 47 Cb 2.04 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 33.69 1mxl h MET 47 CO 0.15 0.33 -0.68 -0.07 1.06 0.00 0.00 176.91 177.70 1mxl h LEU 48 N 0.12 0.97 0.00 1.22 3.38 -0.52 -3.47 115.31 117.01 1mxl h LEU 48 Ca 0.02 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1mxl h LEU 48 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1mxl h LEU 48 CO 0.03 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.56 1mxl n GLY 49 N 0.56 1.40 0.00 0.83 0.00 -1.01 -5.12 105.19 101.85 1mxl n GLY 49 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 -3.12 1.61 6.02 -0.57 -5.04 117.38 116.28 1mxl n GLN 50 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1mxl n GLN 50 Cb 0.00 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.26 1mxl n GLN 50 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1mxl s ASN 51 N -0.41 -0.91 0.87 1.08 2.47 -1.25 -3.56 114.94 113.24 1mxl s ASN 51 Ca 0.00 0.01 -0.12 0.00 0.42 0.00 0.00 52.86 53.17 1mxl s ASN 51 Cb 0.00 1.50 0.12 0.00 -1.45 0.00 0.00 41.25 41.41 1mxl s ASN 51 CO 0.00 -0.15 1.12 -2.16 -3.72 0.00 0.00 177.10 172.19 1mxl s PRO 52 N 2.73 1.44 0.94 0.43 0.04 -1.26 -5.04 135.00 134.28 1mxl s PRO 52 Ca 0.20 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 1mxl s PRO 52 Cb -0.04 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.79 1mxl s PRO 52 CO -0.22 -2.01 1.17 0.95 0.04 0.00 0.00 177.00 176.93 1mxl s THR 53 N -3.24 1.95 0.03 1.26 -4.23 -1.26 -4.93 115.64 105.22 1mxl s THR 53 Ca 0.63 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 61.42 1mxl s THR 53 Cb -0.15 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 71.21 1mxl s THR 53 CO 0.54 0.00 1.85 1.55 -0.54 0.00 0.00 174.62 178.02 1mxl h PRO 54 N -1.60 0.00 0.08 3.99 0.13 -2.01 -3.01 132.00 129.58 1mxl h PRO 54 Ca -0.48 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.39 1mxl h PRO 54 Cb 1.31 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.45 1mxl h PRO 54 CO 0.55 0.11 -1.12 0.93 -0.23 0.00 0.00 178.00 178.23 1mxl h GLU 55 N 0.00 0.35 -0.03 0.86 5.08 -2.02 -3.24 114.58 115.57 1mxl h GLU 55 Ca -0.00 -0.49 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 1mxl h GLU 55 Cb 0.71 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1mxl h GLU 55 CO 0.01 1.18 -0.57 0.93 -1.00 0.00 0.00 179.01 179.57 1mxl h GLU 56 N 0.15 0.10 0.27 2.33 4.39 -1.91 -3.27 114.58 116.65 1mxl h GLU 56 Ca -0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1mxl h GLU 56 Cb 1.81 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.45 1mxl h GLU 56 CO 0.19 0.64 -0.33 1.25 -1.16 0.00 0.00 179.01 179.61 1mxl h LEU 57 N 0.08 -0.91 -1.80 1.33 6.46 -1.55 -0.83 115.31 118.09 1mxl h LEU 57 Ca -0.00 0.08 0.36 0.00 -0.12 0.00 0.00 57.88 58.19 1mxl h LEU 57 Cb 1.03 0.31 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 1mxl h LEU 57 CO 0.08 -0.41 0.87 -0.61 -0.62 0.00 0.00 178.44 177.75 1mxl h GLN 58 N -0.61 0.09 0.01 1.25 -0.00 -1.66 0.97 115.11 115.17 1mxl h GLN 58 Ca -0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1mxl h GLN 58 Cb 0.54 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.97 1mxl h GLN 58 CO -0.07 0.06 -0.18 1.49 0.00 0.00 0.00 178.83 180.14 1mxl h GLU 59 N 0.10 -0.29 -1.01 1.69 4.57 -1.20 1.28 114.58 119.72 1mxl h GLU 59 Ca 0.63 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 59.08 1mxl h GLU 59 Cb 2.27 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 30.84 1mxl h GLU 59 CO -0.11 -0.19 0.66 0.52 -1.18 0.00 0.00 179.01 178.71 1mxl h MET 60 N -0.30 0.37 0.00 1.92 2.86 -0.60 0.34 114.93 119.52 1mxl h MET 60 Ca 0.05 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.54 1mxl h MET 60 Cb 0.36 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1mxl h MET 60 CO -0.16 0.25 -0.72 0.82 1.06 0.00 0.00 176.91 178.16 1mxl h ILE 61 N 0.38 1.15 -0.56 -1.22 5.03 -1.15 -3.34 117.51 117.80 1mxl h ILE 61 Ca 0.56 -2.13 0.15 0.00 -0.12 0.00 0.00 64.86 63.32 1mxl h ILE 61 Cb 1.45 2.44 -0.02 0.00 -3.03 0.00 0.00 36.82 37.66 1mxl h ILE 61 CO -0.25 0.39 0.40 -0.78 -0.68 0.00 0.00 178.15 177.23 1mxl h ASP 62 N -1.00 0.04 -0.09 1.72 1.82 0.22 0.12 116.42 119.24 1mxl h ASP 62 Ca -0.19 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.48 1mxl h ASP 62 Cb 1.11 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.11 1mxl h ASP 62 CO -0.12 0.02 0.09 -0.08 -1.61 0.00 0.00 179.24 177.54 1mxl h GLU 63 N 0.04 0.00 -2.04 0.28 4.81 -0.47 -3.18 114.58 114.02 1mxl h GLU 63 Ca 0.27 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.97 1mxl h GLU 63 Cb 1.01 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.99 1mxl h GLU 63 CO -0.01 0.00 -1.08 1.33 -0.73 0.00 0.00 179.01 178.51 1mxl n VAL 64 N -4.05 0.08 -3.80 0.32 0.24 0.41 -4.91 118.33 106.62 1mxl n VAL 64 Ca -0.01 -4.51 -0.28 0.00 -2.04 0.00 0.00 64.34 57.50 1mxl n VAL 64 Cb 0.19 -1.06 -0.16 0.00 -1.47 0.00 0.00 33.84 31.34 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 -2.09 2.99 -0.24 -1.34 2.15 -1.16 -4.75 116.67 112.23 1mxl s ASP 65 Ca 0.39 -0.82 0.10 0.00 0.43 0.00 0.00 52.55 52.65 1mxl s ASP 65 Cb 0.27 -0.74 0.44 0.00 -0.30 0.00 0.00 42.92 42.59 1mxl s ASP 65 CO -0.09 -0.27 1.20 -0.62 -0.17 0.00 0.00 175.17 175.22 1mxl n GLU 66 N 4.96 2.39 -0.43 4.34 1.02 -1.26 -4.63 120.64 127.04 1mxl n GLU 66 Ca -0.10 -3.63 0.00 0.00 -0.02 0.00 0.00 57.16 53.41 1mxl n GLU 66 Cb 0.47 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -0.88 0.00 -2.90 1.62 5.68 -1.26 -4.98 116.55 113.82 1mxl n ASP 67 Ca 0.29 -1.79 -0.12 0.00 -0.50 0.00 0.00 54.79 52.67 1mxl n ASP 67 Cb 0.82 -0.16 -0.01 0.00 -1.14 0.00 0.00 41.12 40.63 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 0.00 -0.48 0.11 6.12 0.00 -1.26 -4.74 105.19 104.93 1mxl n GLY 68 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.80 0.76 0.00 1.61 3.41 -1.26 -4.98 113.62 111.35 1mxl n SER 69 Ca -0.01 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1mxl n SER 69 Cb 0.52 0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.88 1.18 3.77 5.00 0.00 -1.26 -5.04 105.19 110.72 1mxl n GLY 70 Ca -0.34 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.43 4.18 -0.08 2.61 -4.23 -1.26 -4.72 115.64 109.71 1mxl s THR 71 Ca 0.00 -1.45 0.02 0.00 -1.18 0.00 0.00 61.69 59.08 1mxl s THR 71 Cb 0.00 -3.21 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 1mxl s THR 71 CO 0.00 -0.28 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.97 1mxl s VAL 72 N -2.06 3.07 0.51 2.29 1.01 -0.82 -4.87 120.40 119.54 1mxl s VAL 72 Ca 0.32 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1mxl s VAL 72 Cb -0.08 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1mxl s VAL 72 CO 0.23 0.56 0.53 1.51 0.00 0.00 0.00 175.10 177.94 1mxl s ASP 73 N -0.26 4.99 0.31 3.32 1.47 -1.26 -1.23 116.67 124.00 1mxl s ASP 73 Ca 0.02 -0.91 0.20 0.00 1.18 0.00 0.00 52.55 53.03 1mxl s ASP 73 Cb -0.13 0.01 1.08 0.00 -0.34 0.00 0.00 42.92 43.54 1mxl s ASP 73 CO 0.03 -1.03 1.59 0.33 0.68 0.00 0.00 175.17 176.77 1mxl n PHE 74 N -1.86 0.67 -0.02 2.11 7.35 -1.26 -1.17 117.46 123.28 1mxl n PHE 74 Ca 0.06 0.35 -0.11 0.00 -0.76 0.00 0.00 57.45 56.99 1mxl n PHE 74 Cb 0.62 -1.03 -0.14 0.00 0.35 0.00 0.00 39.48 39.28 1mxl n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1mxl n ASP 75 N -2.21 1.10 0.02 -2.13 8.00 -1.26 -3.85 116.55 116.22 1mxl n ASP 75 Ca -0.01 0.39 -0.10 0.00 0.71 0.00 0.00 54.79 55.77 1mxl n ASP 75 Cb 0.08 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 40.83 1mxl n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1mxl h GLU 76 N 0.01 0.06 0.00 -1.24 5.08 -1.44 -3.32 114.58 113.73 1mxl h GLU 76 Ca -0.31 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1mxl h GLU 76 Cb 2.02 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 1mxl h GLU 76 CO 0.08 0.81 -0.30 0.35 -1.00 0.00 0.00 179.01 178.95 1mxl h PHE 77 N 0.02 0.00 -0.30 4.33 3.57 -1.34 -2.64 116.94 120.58 1mxl h PHE 77 Ca -0.19 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 1mxl h PHE 77 Cb 1.93 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.66 1mxl h PHE 77 CO 0.01 0.30 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.30 1mxl h LEU 78 N 0.00 0.43 -0.68 0.59 3.38 -1.67 -2.33 115.31 115.03 1mxl h LEU 78 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1mxl h LEU 78 Cb 0.55 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1mxl h LEU 78 CO 0.04 0.51 -0.54 0.58 0.09 0.00 0.00 178.44 179.12 1mxl h VAL 79 N 0.44 1.15 0.00 1.22 2.07 -1.63 -2.88 116.25 116.62 1mxl h VAL 79 Ca 0.09 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1mxl h VAL 79 Cb 0.32 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1mxl h VAL 79 CO 0.01 0.52 0.00 0.80 0.02 0.00 0.00 177.57 178.93 1mxl n MET 80 N -3.57 0.04 -0.00 1.57 1.56 -0.88 -1.69 117.12 114.16 1mxl n MET 80 Ca -0.00 0.37 0.10 0.00 -0.27 0.00 0.00 57.70 57.89 1mxl n MET 80 Cb 0.61 -1.59 -0.12 0.00 2.15 0.00 0.00 33.22 34.27 1mxl n MET 80 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1mxl n MET 81 N -1.67 0.27 -0.02 2.12 2.00 -1.09 -4.37 117.12 114.36 1mxl n MET 81 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 57.70 57.48 1mxl n MET 81 Cb 0.13 -1.47 -0.13 0.00 0.00 0.00 0.00 33.22 31.74 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 -1.57 1.73 -0.12 2.03 0.31 -0.68 -3.32 118.33 116.71 1mxl n VAL 82 Ca 0.03 -0.56 0.14 0.00 -0.01 0.00 0.00 64.34 63.94 1mxl n VAL 82 Cb 0.35 -1.76 0.51 0.00 -0.91 0.00 0.00 33.84 32.03 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 -0.10 0.39 -0.51 5.55 3.08 -1.72 -0.45 114.38 120.61 1mxl h ARG 83 Ca -0.43 -0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.35 1mxl h ARG 83 Cb 1.92 -0.09 -0.14 0.00 0.08 0.00 0.00 29.97 31.74 1mxl h ARG 83 CO 0.03 0.26 0.12 0.00 -1.07 0.00 0.00 179.97 179.30 1mxl h MET 85 N 1.19 0.00 0.00 0.00 4.05 -1.07 -3.45 114.93 115.65 1mxl h MET 85 Ca 0.30 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.72 1mxl h MET 85 Cb 1.96 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.76 1mxl h MET 85 CO 0.56 0.00 0.00 1.63 0.23 0.00 0.00 176.91 179.33 1mxl n LYS 86 N -2.37 0.00 -2.73 0.39 4.01 -1.26 -4.98 118.16 111.21 1mxl n LYS 86 Ca -0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.75 1mxl n LYS 86 Cb 0.01 -0.28 -0.03 0.00 -0.51 0.00 0.00 35.03 34.22 1mxl n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1mxl n ASP 87 N 0.00 -2.51 0.00 4.39 8.00 -1.26 -4.92 116.55 120.24 1mxl n ASP 87 Ca 0.00 1.25 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1mxl n ASP 87 Cb 0.00 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 1mxl n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1mxl n ASP 88 N 1.84 0.00 0.00 -2.24 8.00 -1.26 -5.19 116.55 117.70 1mxl n ASP 88 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1mxl n ASP 88 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1mxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57