#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl s ASP 2 N 0.00 5.33 0.39 7.83 1.47 -1.26 -4.91 116.67 125.52 2jxl s ASP 2 Ca 0.00 -2.68 0.20 0.00 1.18 0.00 0.00 52.55 51.25 2jxl s ASP 2 Cb 0.00 -1.87 0.73 0.00 -0.34 0.00 0.00 42.92 41.44 2jxl s ASP 2 CO 0.00 -0.42 1.75 -0.78 0.68 0.00 0.00 175.17 176.41 2jxl h ASP 3 N 7.28 0.00 0.17 2.11 1.82 -2.05 -2.07 116.42 123.69 2jxl h ASP 3 Ca -0.04 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.50 2jxl h ASP 3 Cb 0.98 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.97 2jxl h ASP 3 CO 0.72 0.33 -0.37 -0.29 -1.61 0.00 0.00 179.24 178.02 2jxl h ILE 4 N 0.00 1.29 0.13 2.25 2.10 -2.00 -1.37 117.51 119.92 2jxl h ILE 4 Ca -0.00 -1.42 -0.28 0.00 1.08 0.00 0.00 64.86 64.23 2jxl h ILE 4 Cb 0.86 1.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2jxl h ILE 4 CO 0.04 0.43 -1.42 1.88 -1.08 0.00 0.00 178.15 178.01 2jxl h TYR 5 N 0.23 0.50 0.00 2.19 0.05 -1.92 -3.19 116.97 114.84 2jxl h TYR 5 Ca 0.03 -0.36 -0.03 0.00 0.05 0.00 0.00 58.73 58.41 2jxl h TYR 5 Cb 0.76 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.48 2jxl h TYR 5 CO 0.01 1.55 -0.14 1.57 -1.05 0.00 0.00 178.16 180.11 2jxl h LYS 6 N -0.24 0.00 0.34 4.88 5.09 -1.39 -1.89 116.57 123.36 2jxl h LYS 6 Ca -0.30 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.43 2jxl h LYS 6 Cb 1.81 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.14 2jxl h LYS 6 CO 0.09 0.14 -0.16 0.00 -2.09 0.00 0.00 179.45 177.42 2jxl h ALA 7 N 1.86 -0.46 -0.41 0.07 0.00 -1.36 -1.96 119.26 117.00 2jxl h ALA 7 Ca -0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2jxl h ALA 7 Cb 0.27 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 2jxl h ALA 7 CO 0.02 -0.44 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 2jxl h ALA 8 N -1.00 0.31 -0.74 0.00 0.00 -1.52 -0.69 119.26 115.61 2jxl h ALA 8 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jxl h ALA 8 Cb 0.41 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2jxl h ALA 8 CO 0.08 -0.43 0.44 -0.24 0.00 0.00 0.00 179.25 179.09 2jxl h VAL 9 N 0.04 1.21 0.00 0.00 3.04 -1.46 -1.13 116.25 117.95 2jxl h VAL 9 Ca 0.20 -0.47 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 2jxl h VAL 9 Cb 0.30 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 29.75 2jxl h VAL 9 CO -0.39 0.22 -0.09 -0.33 -1.01 0.00 0.00 177.57 175.98 2jxl h GLU 10 N 1.02 0.00 -0.28 4.17 4.39 -0.37 -1.80 114.58 121.72 2jxl h GLU 10 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2jxl h GLU 10 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2jxl h GLU 10 CO -0.05 0.09 0.00 1.04 -1.16 0.00 0.00 179.01 178.93 2jxl n GLN 11 N -3.29 1.86 -0.98 2.33 6.02 -0.43 -4.93 117.38 117.96 2jxl n GLN 11 Ca -0.01 -1.32 -0.29 0.00 -0.01 0.00 0.00 57.00 55.38 2jxl n GLN 11 Cb 0.29 -1.36 0.22 0.00 1.02 0.00 0.00 30.24 30.40 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jxl s LEU 12 N -1.31 1.02 0.26 1.08 1.43 -0.68 -5.03 118.68 115.45 2jxl s LEU 12 Ca 0.30 1.09 -0.07 0.00 -1.03 0.00 0.00 54.13 54.42 2jxl s LEU 12 Cb 0.16 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 2jxl s LEU 12 CO 0.23 -3.74 0.55 0.28 0.23 0.00 0.00 176.35 173.90 2jxl s THR 13 N -2.83 4.98 0.31 5.49 -1.32 -1.26 -4.98 115.64 116.02 2jxl s THR 13 Ca 0.67 0.27 0.03 0.00 -1.21 0.00 0.00 61.69 61.46 2jxl s THR 13 Cb -0.18 -3.67 0.29 0.00 -1.51 0.00 0.00 72.50 67.43 2jxl s THR 13 CO 0.59 -0.20 1.85 -0.33 -2.21 0.00 0.00 174.62 174.32 2jxl h GLU 14 N 2.12 0.88 -0.52 7.08 4.39 -1.99 -1.32 114.58 125.22 2jxl h GLU 14 Ca -0.47 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.20 2jxl h GLU 14 Cb 1.18 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 2jxl h GLU 14 CO 0.68 0.59 0.30 0.93 -1.16 0.00 0.00 179.01 180.34 2jxl h GLU 15 N 0.91 0.58 -0.25 2.33 4.39 -1.99 0.51 114.58 121.06 2jxl h GLU 15 Ca 0.47 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 2jxl h GLU 15 Cb 0.52 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2jxl h GLU 15 CO -0.23 0.38 0.13 1.96 -1.16 0.00 0.00 179.01 180.09 2jxl h GLN 16 N 0.60 0.35 -0.50 2.33 1.08 -1.66 -1.76 115.11 115.56 2jxl h GLN 16 Ca 0.21 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 2jxl h GLN 16 Cb 0.04 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2jxl h GLN 16 CO -0.10 0.33 0.17 0.87 -0.95 0.00 0.00 178.83 179.14 2jxl h LYS 17 N 0.29 0.72 -0.67 1.46 6.56 -1.07 -1.86 116.57 122.00 2jxl h LYS 17 Ca 0.09 -0.12 -0.08 0.00 -1.06 0.00 0.00 60.65 59.48 2jxl h LYS 17 Cb 0.08 -0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 2jxl h LYS 17 CO -0.01 0.62 0.10 -0.91 -2.06 0.00 0.00 179.45 177.18 2jxl h ASN 18 N 0.71 1.07 -0.47 0.86 2.35 -0.53 -1.24 115.58 118.33 2jxl h ASN 18 Ca 0.17 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.54 2jxl h ASN 18 Cb 0.19 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2jxl h ASN 18 CO -0.01 1.06 -0.17 -0.33 -1.65 0.00 0.00 177.43 176.33 2jxl h GLU 19 N 1.04 0.95 -0.58 0.81 4.39 -0.88 -1.83 114.58 118.47 2jxl h GLU 19 Ca 0.20 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 2jxl h GLU 19 Cb 0.46 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2jxl h GLU 19 CO 0.02 1.05 0.05 0.74 -1.16 0.00 0.00 179.01 179.71 2jxl h PHE 20 N 0.79 1.06 -0.09 4.33 0.04 -1.18 0.15 116.94 122.05 2jxl h PHE 20 Ca 0.11 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 2jxl h PHE 20 Cb 0.74 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2jxl h PHE 20 CO 0.05 0.94 -0.34 -0.22 -0.60 0.00 0.00 178.31 178.14 2jxl h LYS 21 N 0.88 0.17 0.00 1.51 3.64 -1.15 -1.44 116.57 120.19 2jxl h LYS 21 Ca 0.17 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2jxl h LYS 21 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2jxl h LYS 21 CO 0.02 0.50 -0.00 0.00 -2.27 0.00 0.00 179.45 177.70 2jxl h ALA 22 N 1.50 -0.00 0.00 5.00 0.00 -1.03 -3.27 119.26 121.46 2jxl h ALA 22 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2jxl h ALA 22 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2jxl h ALA 22 CO 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2jxl h ALA 23 N 0.05 1.00 -0.03 0.00 0.00 -0.70 -1.76 119.26 117.82 2jxl h ALA 23 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2jxl h ALA 23 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2jxl h ALA 23 CO 0.00 0.00 -0.69 0.35 0.00 0.00 0.00 179.25 178.91 2jxl h PHE 24 N 0.00 0.18 -0.60 0.00 3.04 -1.31 -3.14 116.94 115.10 2jxl h PHE 24 Ca 0.00 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 2jxl h PHE 24 Cb 0.18 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.63 2jxl h PHE 24 CO 0.00 0.77 0.14 0.22 -2.02 0.00 0.00 178.31 177.42 2jxl h ASP 25 N 0.09 0.89 0.31 0.41 3.58 -1.37 -1.95 116.42 118.38 2jxl h ASP 25 Ca -0.01 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.22 2jxl h ASP 25 Cb 1.22 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 2jxl h ASP 25 CO 0.10 0.87 -0.21 0.40 -2.88 0.00 0.00 179.24 177.52 2jxl h ILE 26 N 0.90 0.95 0.17 2.25 5.03 -1.61 0.76 117.51 125.97 2jxl h ILE 26 Ca 0.19 -0.77 -0.31 0.00 -0.12 0.00 0.00 64.86 63.85 2jxl h ILE 26 Cb 0.34 1.44 0.03 0.00 -3.03 0.00 0.00 36.82 35.60 2jxl h ILE 26 CO 0.00 0.20 -1.34 -0.26 -0.68 0.00 0.00 178.15 176.08 2jxl h PHE 27 N 0.00 0.98 -0.00 1.37 -1.00 -1.43 -3.23 116.94 113.63 2jxl h PHE 27 Ca -0.00 -0.66 0.00 0.00 2.81 0.00 0.00 57.97 60.12 2jxl h PHE 27 Cb 0.42 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.92 2jxl h PHE 27 CO 0.00 1.50 -0.09 1.55 -1.61 0.00 0.00 178.31 179.67 2jxl n VAL 28 N -3.75 0.00 -0.01 -0.55 3.14 -0.79 -3.95 118.33 112.42 2jxl n VAL 28 Ca -0.15 -0.07 0.23 0.00 -2.96 0.00 0.00 64.34 61.40 2jxl n VAL 28 Cb 1.04 -0.09 0.69 0.00 -1.06 0.00 0.00 33.84 34.41 2jxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2jxl h LEU 29 N 0.67 0.00 0.03 6.55 3.38 -0.87 0.36 115.31 125.43 2jxl h LEU 29 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2jxl h LEU 29 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2jxl h LEU 29 CO 0.00 0.00 -1.46 1.23 0.09 0.00 0.00 178.44 178.30 2jxl h GLY 30 N 0.00 0.07 -2.50 0.83 0.00 -1.82 -3.46 103.07 96.19 2jxl h GLY 30 Ca 0.29 -0.19 -0.47 0.00 0.00 0.00 0.00 47.33 46.96 2jxl h GLY 30 CO -0.00 0.16 0.39 0.00 0.00 0.00 0.00 176.54 177.09 2jxl s ALA 31 N -2.64 3.03 -1.66 3.60 0.00 0.13 -4.96 121.76 119.26 2jxl s ALA 31 Ca -0.04 0.63 0.15 0.00 0.00 0.00 0.00 51.96 52.70 2jxl s ALA 31 Cb 0.08 -3.25 0.25 0.00 0.00 0.00 0.00 23.12 20.20 2jxl s ALA 31 CO 0.83 -0.18 1.14 -1.91 0.00 0.00 0.00 175.76 175.64 2jxl n GLU 32 N -0.36 1.86 -0.07 0.00 4.07 -1.26 -4.45 120.64 120.44 2jxl n GLU 32 Ca 0.06 -1.78 -0.07 0.00 -0.06 0.00 0.00 57.16 55.31 2jxl n GLU 32 Cb 0.51 -1.33 -0.09 0.00 -0.06 0.00 0.00 31.44 30.47 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jxl n ASP 33 N 0.89 2.27 0.00 4.31 8.00 -1.26 -5.04 116.55 125.72 2jxl n ASP 33 Ca 0.12 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2jxl n ASP 33 Cb 0.43 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jxl n GLY 34 N 2.42 0.94 3.52 0.44 0.00 -1.26 -5.15 105.19 106.11 2jxl n GLY 34 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2jxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ILE 36 N -3.36 2.44 0.20 0.00 1.01 -1.01 -4.47 121.20 116.01 2jxl s ILE 36 Ca 0.27 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.31 2jxl s ILE 36 Cb -0.00 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.00 2jxl s ILE 36 CO 0.16 -0.00 0.59 -0.94 0.00 0.00 0.00 174.94 174.74 2jxl s SER 37 N 1.17 6.77 0.54 3.58 1.04 -1.26 -0.37 113.70 125.17 2jxl s SER 37 Ca -0.07 1.08 0.31 0.00 0.48 0.00 0.00 55.95 57.75 2jxl s SER 37 Cb -0.19 -2.29 1.47 0.00 0.10 0.00 0.00 66.02 65.11 2jxl s SER 37 CO -0.04 -0.00 1.90 0.00 0.98 0.00 0.00 173.24 176.08 2jxl h THR 38 N 2.43 0.56 -0.11 2.02 1.03 -1.96 0.24 112.91 117.12 2jxl h THR 38 Ca -0.48 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2jxl h THR 38 Cb 1.18 0.58 -0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2jxl h THR 38 CO 0.67 0.00 0.05 0.50 -0.01 0.00 0.00 175.52 176.73 2jxl h LYS 39 N 0.00 0.15 0.07 0.00 3.64 -1.94 -0.68 116.57 117.82 2jxl h LYS 39 Ca 0.39 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 59.49 2jxl h LYS 39 Cb 1.58 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2jxl h LYS 39 CO -0.00 0.23 -1.11 0.93 -2.27 0.00 0.00 179.45 177.23 2jxl h GLU 40 N 0.04 0.34 -0.14 1.90 4.39 -1.44 -3.23 114.58 116.44 2jxl h GLU 40 Ca 0.04 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2jxl h GLU 40 Cb 0.13 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2jxl h GLU 40 CO -0.00 1.17 -0.05 1.25 -1.16 0.00 0.00 179.01 180.22 2jxl h LEU 41 N 0.15 0.19 -0.67 1.33 5.85 -0.56 -2.50 115.31 119.10 2jxl h LEU 41 Ca -0.11 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 2jxl h LEU 41 Cb 1.79 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2jxl h LEU 41 CO 0.19 0.27 -0.12 1.23 -0.34 0.00 0.00 178.44 179.67 2jxl h GLY 42 N 0.54 0.99 0.99 3.75 0.00 -1.14 -2.84 103.07 105.35 2jxl h GLY 42 Ca 0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2jxl h GLY 42 CO 0.01 0.72 0.27 0.50 0.00 0.00 0.00 176.54 178.03 2jxl h LYS 43 N 0.81 0.89 -0.33 4.80 6.56 -1.52 -2.49 116.57 125.29 2jxl h LYS 43 Ca 0.13 -0.15 -0.02 0.00 -1.06 0.00 0.00 60.65 59.55 2jxl h LYS 43 Cb 0.65 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2jxl h LYS 43 CO 0.05 0.74 0.12 0.28 -2.06 0.00 0.00 179.45 178.57 2jxl h VAL 44 N 0.83 1.13 -0.76 0.50 2.07 -1.43 -2.09 116.25 116.50 2jxl h VAL 44 Ca 0.20 -0.42 0.14 0.00 0.82 0.00 0.00 66.70 67.45 2jxl h VAL 44 Cb 0.16 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2jxl h VAL 44 CO -0.02 0.16 0.51 0.24 0.02 0.00 0.00 177.57 178.47 2jxl h MET 45 N 0.46 0.43 -0.61 1.57 2.86 -1.20 -0.80 114.93 117.63 2jxl h MET 45 Ca 0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2jxl h MET 45 Cb 0.11 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 2jxl h MET 45 CO -0.01 0.29 0.36 0.00 1.06 0.00 0.00 176.91 178.60 2jxl h ARG 46 N 0.45 0.84 -0.16 1.72 3.08 -0.64 -1.32 114.38 118.34 2jxl h ARG 46 Ca 0.37 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 2jxl h ARG 46 Cb 0.82 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2jxl h ARG 46 CO -0.12 0.62 -0.08 0.52 -1.07 0.00 0.00 179.97 179.84 2jxl h MET 47 N 0.83 0.24 0.00 0.04 2.86 -1.25 -1.71 114.93 115.95 2jxl h MET 47 Ca 0.22 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2jxl h MET 47 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jxl h MET 47 CO -0.04 0.34 -0.24 -0.07 1.06 0.00 0.00 176.91 177.96 2jxl h LEU 48 N 0.24 0.00 0.00 1.22 4.07 -1.08 -3.46 115.31 116.30 2jxl h LEU 48 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2jxl h LEU 48 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2jxl h LEU 48 CO 0.01 0.24 0.00 0.61 -1.08 0.00 0.00 178.44 178.22 2jxl n GLY 49 N 0.06 1.48 3.17 0.83 0.00 -0.64 -5.12 105.19 104.97 2jxl n GLY 49 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jxl s GLN 50 N -0.19 0.82 -0.40 1.61 -0.21 -0.56 -5.01 119.66 115.71 2jxl s GLN 50 Ca 0.00 -1.06 0.09 0.00 0.02 0.00 0.00 55.36 54.41 2jxl s GLN 50 Cb 0.00 -0.62 0.27 0.00 1.00 0.00 0.00 33.01 33.66 2jxl s GLN 50 CO 0.00 0.12 0.57 0.27 -2.12 0.00 0.00 175.29 174.13 2jxl n ASN 51 N 0.87 0.52 -4.77 5.90 0.23 -1.26 -1.88 115.26 114.87 2jxl n ASN 51 Ca -0.18 -2.80 -0.34 0.00 -0.53 0.00 0.00 54.58 50.73 2jxl n ASN 51 Cb 0.56 -0.64 0.03 0.00 -2.08 0.00 0.00 39.78 37.65 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxl s PRO 52 N -1.50 3.01 0.93 -0.53 0.04 -1.26 -5.00 135.00 130.69 2jxl s PRO 52 Ca 0.36 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 2jxl s PRO 52 Cb 0.20 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.85 2jxl s PRO 52 CO -0.10 -1.10 0.76 0.25 0.04 0.00 0.00 177.00 176.85 2jxl n THR 53 N -2.00 0.13 -0.03 1.26 -2.24 -1.26 -4.88 114.28 105.26 2jxl n THR 53 Ca 0.11 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 2jxl n THR 53 Cb 0.52 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.85 2jxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2jxl h PRO 54 N -1.65 0.13 -0.30 -0.78 0.13 -1.98 -2.83 132.00 124.71 2jxl h PRO 54 Ca -0.43 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2jxl h PRO 54 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jxl h PRO 54 CO 0.38 0.58 -0.03 0.93 -0.23 0.00 0.00 178.00 179.62 2jxl h GLU 55 N -0.31 0.47 -0.12 0.86 4.39 -2.00 -2.29 114.58 115.59 2jxl h GLU 55 Ca 0.01 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 2jxl h GLU 55 Cb 0.55 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2jxl h GLU 55 CO 0.01 0.53 -0.26 1.49 -1.16 0.00 0.00 179.01 179.62 2jxl h GLU 56 N 0.45 0.21 0.50 2.33 4.57 -1.92 -2.14 114.58 118.58 2jxl h GLU 56 Ca 0.10 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2jxl h GLU 56 Cb 0.35 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2jxl h GLU 56 CO 0.01 0.46 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.99 2jxl h LEU 57 N 0.19 -0.57 -1.93 1.64 3.38 -1.15 -2.64 115.31 114.23 2jxl h LEU 57 Ca 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2jxl h LEU 57 Cb 0.56 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 2jxl h LEU 57 CO 0.04 -0.34 -0.11 -0.61 0.09 0.00 0.00 178.44 177.51 2jxl h GLN 58 N -0.76 0.00 0.22 1.13 5.75 -1.51 -2.69 115.11 117.25 2jxl h GLN 58 Ca -0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2jxl h GLN 58 Cb 0.56 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 2jxl h GLN 58 CO 0.11 0.11 -0.14 0.93 -2.65 0.00 0.00 178.83 177.20 2jxl h GLU 59 N 0.00 -0.33 -0.24 1.69 4.39 -1.02 -0.89 114.58 118.18 2jxl h GLU 59 Ca -0.00 0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2jxl h GLU 59 Cb 0.32 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2jxl h GLU 59 CO 0.01 -0.22 -0.35 1.98 -1.16 0.00 0.00 179.01 179.27 2jxl h MET 60 N -0.35 0.51 0.00 2.33 4.05 -1.34 -2.67 114.93 117.47 2jxl h MET 60 Ca -0.02 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.15 2jxl h MET 60 Cb 0.29 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2jxl h MET 60 CO 0.02 0.80 -0.08 0.82 0.23 0.00 0.00 176.91 178.69 2jxl h ILE 61 N 0.43 0.37 0.08 1.77 2.04 -1.21 -2.33 117.51 118.66 2jxl h ILE 61 Ca 0.05 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2jxl h ILE 61 Cb 0.82 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.24 2jxl h ILE 61 CO 0.07 0.08 -0.04 -0.78 0.00 0.00 0.00 178.15 177.48 2jxl h ASP 62 N 0.00 -0.09 0.93 1.72 3.58 -0.80 0.29 116.42 122.05 2jxl h ASP 62 Ca -0.00 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2jxl h ASP 62 Cb 0.33 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 2jxl h ASP 62 CO 0.01 0.24 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.12 2jxl h GLU 63 N -0.43 0.00 0.00 0.28 3.07 -1.58 -3.22 114.58 112.70 2jxl h GLU 63 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 2jxl h GLU 63 Cb 0.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2jxl h GLU 63 CO 0.02 0.16 -0.12 0.28 -1.40 0.00 0.00 179.01 177.95 2jxl h VAL 64 N 0.00 1.57 -1.85 3.13 2.07 -1.28 -3.43 116.25 116.46 2jxl h VAL 64 Ca -0.00 -2.22 -0.50 0.00 0.82 0.00 0.00 66.70 64.80 2jxl h VAL 64 Cb 0.67 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 2jxl h VAL 64 CO 0.02 0.53 1.51 -0.62 0.02 0.00 0.00 177.57 179.03 2jxl s ASP 65 N -6.22 4.90 0.50 0.57 -1.08 0.10 -4.81 116.67 110.63 2jxl s ASP 65 Ca -0.18 0.96 0.21 0.00 -0.52 0.00 0.00 52.55 53.02 2jxl s ASP 65 Cb -0.02 -2.51 1.28 0.00 -1.46 0.00 0.00 42.92 40.21 2jxl s ASP 65 CO 0.63 -2.54 2.07 -0.33 0.52 0.00 0.00 175.17 175.51 2jxl h GLU 66 N 17.22 0.00 -0.00 4.34 4.39 -1.84 -1.20 114.58 137.49 2jxl h GLU 66 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2jxl h GLU 66 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2jxl h GLU 66 CO 1.15 0.12 -0.58 -0.40 -1.16 0.00 0.00 179.01 178.14 2jxl n ASP 67 N -4.06 1.02 -3.63 1.42 5.68 -1.26 -4.96 116.55 110.76 2jxl n ASP 67 Ca -0.02 -0.82 -0.27 0.00 -0.50 0.00 0.00 54.79 53.17 2jxl n ASP 67 Cb 0.21 0.47 0.02 0.00 -1.14 0.00 0.00 41.12 40.67 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jxl n GLY 68 N 1.45 -0.50 0.18 6.12 0.00 -0.45 -4.84 105.19 107.15 2jxl n GLY 68 Ca 0.07 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.31 2jxl n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jxl h SER 69 N -1.62 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.78 2jxl h SER 69 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2jxl h SER 69 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2jxl h SER 69 CO 0.62 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.53 2jxl n GLY 70 N 0.76 1.12 3.29 -0.77 0.00 -1.26 -5.10 105.19 103.24 2jxl n GLY 70 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 2jxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxl s THR 71 N -2.00 0.04 -0.19 2.61 -4.23 -1.26 -4.34 115.64 106.27 2jxl s THR 71 Ca 0.00 -0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 60.00 2jxl s THR 71 Cb 0.00 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2jxl s THR 71 CO 0.00 -0.19 0.44 -0.69 -0.54 0.00 0.00 174.62 173.65 2jxl s VAL 72 N -1.14 5.17 0.65 2.29 1.01 0.50 -4.85 120.40 124.03 2jxl s VAL 72 Ca -0.12 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.74 2jxl s VAL 72 Cb -0.04 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.68 2jxl s VAL 72 CO 0.05 0.24 0.90 -0.62 0.00 0.00 0.00 175.10 175.67 2jxl s ASP 73 N 1.01 4.70 0.34 3.32 2.15 -1.26 -2.42 116.67 124.51 2jxl s ASP 73 Ca 0.21 -0.75 0.01 0.00 0.43 0.00 0.00 52.55 52.46 2jxl s ASP 73 Cb -0.15 0.35 0.59 0.00 -0.30 0.00 0.00 42.92 43.40 2jxl s ASP 73 CO 0.09 -1.64 2.00 0.15 -0.17 0.00 0.00 175.17 175.60 2jxl h PHE 74 N -0.16 0.86 0.35 -5.34 3.57 -1.97 0.35 116.94 114.59 2jxl h PHE 74 Ca -0.31 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.20 2jxl h PHE 74 Cb 1.28 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2jxl h PHE 74 CO 0.16 0.54 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.17 2jxl h ASP 75 N 0.92 -0.40 0.12 0.41 5.19 -2.00 -1.86 116.42 118.81 2jxl h ASP 75 Ca 0.25 -0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.48 2jxl h ASP 75 Cb -0.11 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 2jxl h ASP 75 CO -0.05 0.03 -0.12 -0.33 -3.12 0.00 0.00 179.24 175.64 2jxl h GLU 76 N -0.93 0.01 -0.24 3.56 5.08 -1.90 -2.04 114.58 118.13 2jxl h GLU 76 Ca -0.05 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 2jxl h GLU 76 Cb 0.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2jxl h GLU 76 CO 0.08 0.13 -0.47 2.35 -1.00 0.00 0.00 179.01 180.10 2jxl h TRP 77 N 0.01 0.78 -0.07 4.33 7.01 -0.28 -2.23 115.95 125.50 2jxl h TRP 77 Ca 0.00 -0.25 -0.03 0.00 2.11 0.00 0.00 58.89 60.72 2jxl h TRP 77 Cb 0.22 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2jxl h TRP 77 CO 0.00 0.99 -0.06 1.25 -2.79 0.00 0.00 178.44 177.83 2jxl h LEU 78 N 0.51 0.17 -1.77 0.65 6.46 -0.66 -3.09 115.31 117.57 2jxl h LEU 78 Ca 0.03 -0.47 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 2jxl h LEU 78 Cb 1.01 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.89 2jxl h LEU 78 CO 0.09 0.60 -0.02 -0.37 -0.62 0.00 0.00 178.44 178.13 2jxl h VAL 79 N -0.26 1.07 -0.03 1.05 -1.51 -1.43 -2.57 116.25 112.57 2jxl h VAL 79 Ca 0.01 -0.28 0.03 0.00 -1.23 0.00 0.00 66.70 65.23 2jxl h VAL 79 Cb 0.55 1.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.68 2jxl h VAL 79 CO 0.01 0.09 -0.38 0.24 -1.23 0.00 0.00 177.57 176.30 2jxl h MET 80 N 0.12 -0.50 -0.36 5.19 2.86 -1.31 -0.64 114.93 120.28 2jxl h MET 80 Ca 0.03 0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 2jxl h MET 80 Cb 0.12 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2jxl h MET 80 CO 0.00 -0.34 -0.18 0.00 1.06 0.00 0.00 176.91 177.46 2jxl h MET 81 N -0.52 0.68 -0.31 1.72 -0.00 -1.58 -2.68 114.93 112.23 2jxl h MET 81 Ca 0.06 -0.25 0.08 0.00 -0.00 0.00 0.00 59.70 59.59 2jxl h MET 81 Cb 0.62 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.16 2jxl h MET 81 CO -0.32 0.82 0.22 0.00 -0.00 0.00 0.00 176.91 177.63 2jxl h ALA 82 N 1.19 2.19 0.00 -3.00 0.00 -0.96 0.80 119.26 119.49 2jxl h ALA 82 Ca 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 82 Cb 0.65 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jxl h ALA 82 CO 0.05 -0.27 -0.23 0.00 0.00 0.00 0.00 179.25 178.80 2jxl h ARG 83 N 0.08 0.00 0.00 0.00 3.08 -0.78 -2.41 114.38 114.34 2jxl h ARG 83 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2jxl h ARG 83 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2jxl h ARG 83 CO -0.01 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 2jxl h MET 85 N 0.00 0.00 0.00 0.00 -0.00 -1.49 -2.91 114.93 110.53 2jxl h MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jxl h MET 85 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 2jxl h MET 85 CO 0.00 0.44 0.00 -0.22 -0.00 0.00 0.00 176.91 177.13 2jxl h LYS 86 N 0.00 0.00 -6.06 -0.10 3.11 -1.61 -3.40 116.57 108.52 2jxl h LYS 86 Ca -0.00 0.00 -0.50 0.00 -2.81 0.00 0.00 60.65 57.33 2jxl h LYS 86 Cb 1.05 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.20 2jxl h LYS 86 CO 0.06 0.00 1.21 0.34 -2.81 0.00 0.00 179.45 178.24 2jxl s ASP 87 N -5.68 5.96 0.00 4.20 2.15 -1.10 -4.93 116.67 117.26 2jxl s ASP 87 Ca 0.03 -0.83 -0.04 0.00 0.43 0.00 0.00 52.55 52.14 2jxl s ASP 87 Cb 0.08 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2jxl s ASP 87 CO 0.56 -1.98 0.07 -0.62 -0.17 0.00 0.00 175.17 173.03 2jxl s ASP 88 N 5.81 0.09 0.00 -0.34 -1.08 -1.26 -5.07 116.67 114.81 2jxl s ASP 88 Ca 0.52 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.29 2jxl s ASP 88 Cb -0.05 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 2jxl s ASP 88 CO 0.01 -0.30 0.00 -0.24 0.52 0.00 0.00 175.17 175.17