#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 4.20 0.44 6.12 1.11 -1.26 -4.87 116.67 122.41 2jxl s ASP 2 Ca 0.00 1.02 0.22 0.00 0.18 0.00 0.00 52.55 53.97 2jxl s ASP 2 Cb 0.00 -1.63 1.01 0.00 1.07 0.00 0.00 42.92 43.36 2jxl s ASP 2 CO 0.00 -2.12 1.89 -2.24 1.18 0.00 0.00 175.17 173.87 2jxl h ASP 3 N -1.20 0.00 0.30 0.27 2.03 -2.04 -2.04 116.42 113.74 2jxl h ASP 3 Ca -0.48 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.71 2jxl h ASP 3 Cb 1.31 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.80 2jxl h ASP 3 CO 0.63 0.25 -0.44 -0.29 -1.03 0.00 0.00 179.24 178.35 2jxl h ILE 4 N 0.00 1.32 0.13 4.15 2.10 -1.98 -0.23 117.51 123.00 2jxl h ILE 4 Ca -0.00 -1.59 -0.24 0.00 1.08 0.00 0.00 64.86 64.11 2jxl h ILE 4 Cb 0.63 1.76 0.01 0.00 -1.09 0.00 0.00 36.82 38.13 2jxl h ILE 4 CO 0.03 0.47 -1.20 1.88 -1.08 0.00 0.00 178.15 178.25 2jxl h TYR 5 N 0.15 0.49 -0.17 2.19 0.05 -1.86 -3.28 116.97 114.54 2jxl h TYR 5 Ca 0.01 -0.36 -0.08 0.00 0.05 0.00 0.00 58.73 58.35 2jxl h TYR 5 Cb 0.85 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 2jxl h TYR 5 CO 0.01 1.46 -0.24 1.57 -1.05 0.00 0.00 178.16 179.92 2jxl h LYS 6 N -0.33 0.31 0.00 4.88 5.09 -1.39 -2.19 116.57 122.94 2jxl h LYS 6 Ca -0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 60.65 60.38 2jxl h LYS 6 Cb 1.72 -0.03 -0.00 0.00 0.10 0.00 0.00 32.23 34.03 2jxl h LYS 6 CO 0.10 0.54 -0.06 0.00 -2.09 0.00 0.00 179.45 177.93 2jxl h ALA 7 N 1.47 1.05 0.14 0.07 0.00 -1.15 -1.08 119.26 119.75 2jxl h ALA 7 Ca 0.05 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2jxl h ALA 7 Cb 0.58 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jxl h ALA 7 CO 0.04 0.08 -0.92 0.00 0.00 0.00 0.00 179.25 178.45 2jxl h ALA 8 N 1.94 -0.06 -0.08 0.00 0.00 -1.45 -3.04 119.26 116.57 2jxl h ALA 8 Ca -0.00 -0.76 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 2jxl h ALA 8 Cb 0.47 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jxl h ALA 8 CO 0.01 0.45 -0.60 -0.39 0.00 0.00 0.00 179.25 178.72 2jxl h VAL 9 N -0.34 1.38 0.00 0.00 -1.51 -1.38 -2.90 116.25 111.50 2jxl h VAL 9 Ca -0.17 -1.96 -0.06 0.00 -1.23 0.00 0.00 66.70 63.29 2jxl h VAL 9 Cb 1.68 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 32.81 2jxl h VAL 9 CO 0.14 0.58 -0.27 1.05 -1.23 0.00 0.00 177.57 177.85 2jxl h GLU 10 N 0.19 0.00 -0.02 5.19 4.11 -1.32 -2.52 114.58 120.22 2jxl h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2jxl h GLU 10 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jxl h GLU 10 CO 0.09 0.27 -0.04 0.00 0.07 0.00 0.00 179.01 179.40 2jxl n GLN 11 N -3.44 1.61 -0.94 1.06 10.64 -1.11 -4.93 117.38 120.27 2jxl n GLN 11 Ca -0.00 -0.99 -0.30 0.00 -1.83 0.00 0.00 57.00 53.88 2jxl n GLN 11 Cb 0.45 -1.48 0.24 0.00 -0.86 0.00 0.00 30.24 28.59 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jxl s LEU 12 N -2.08 0.46 0.21 2.61 1.43 -0.95 -5.05 118.68 115.32 2jxl s LEU 12 Ca 0.35 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 2jxl s LEU 12 Cb 0.21 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2jxl s LEU 12 CO 0.36 -4.26 0.34 0.28 0.23 0.00 0.00 176.35 173.30 2jxl s THR 13 N -2.84 5.28 0.36 5.49 -1.32 -1.26 -5.00 115.64 116.35 2jxl s THR 13 Ca 0.70 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 60.40 2jxl s THR 13 Cb -0.12 -3.82 0.32 0.00 -1.51 0.00 0.00 72.50 67.37 2jxl s THR 13 CO 0.57 -0.25 1.88 -0.33 -2.21 0.00 0.00 174.62 174.28 2jxl h GLU 14 N 1.51 0.66 -0.43 7.08 5.08 -1.99 0.22 114.58 126.71 2jxl h GLU 14 Ca -0.51 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.75 2jxl h GLU 14 Cb 1.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2jxl h GLU 14 CO 0.64 0.43 0.01 0.93 -1.00 0.00 0.00 179.01 180.02 2jxl h GLU 15 N 0.68 0.69 -0.42 2.33 5.08 -2.00 -2.23 114.58 118.72 2jxl h GLU 15 Ca 0.43 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.57 2jxl h GLU 15 Cb 0.69 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2jxl h GLU 15 CO -0.19 0.71 0.06 1.96 -1.00 0.00 0.00 179.01 180.54 2jxl h GLN 16 N 0.66 0.70 0.00 2.33 1.08 -1.35 -2.54 115.11 115.98 2jxl h GLN 16 Ca 0.13 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 2jxl h GLN 16 Cb 0.40 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2jxl h GLN 16 CO 0.01 0.74 -0.13 0.87 -0.95 0.00 0.00 178.83 179.38 2jxl h LYS 17 N 0.55 0.00 0.28 1.46 6.56 -1.23 -2.53 116.57 121.65 2jxl h LYS 17 Ca 0.12 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2jxl h LYS 17 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2jxl h LYS 17 CO 0.01 0.13 -0.13 -0.91 -2.06 0.00 0.00 179.45 176.49 2jxl h ASN 18 N 0.00 -0.31 0.10 0.86 4.21 -0.97 -0.95 115.58 118.53 2jxl h ASN 18 Ca -0.00 -0.14 -0.08 0.00 1.21 0.00 0.00 56.30 57.28 2jxl h ASN 18 Cb 0.48 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 2jxl h ASN 18 CO 0.02 -0.03 -0.28 1.05 -1.29 0.00 0.00 177.43 176.89 2jxl h GLU 19 N -0.60 0.29 -0.26 0.81 4.11 -1.45 -0.55 114.58 116.92 2jxl h GLU 19 Ca -0.04 -0.11 -0.10 0.00 0.07 0.00 0.00 59.36 59.19 2jxl h GLU 19 Cb 0.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jxl h GLU 19 CO 0.06 0.55 -0.25 0.74 0.07 0.00 0.00 179.01 180.19 2jxl h PHE 20 N 0.26 0.57 0.14 2.06 0.04 -1.36 0.99 116.94 119.63 2jxl h PHE 20 Ca 0.04 -0.12 -0.29 0.00 2.80 0.00 0.00 57.97 60.40 2jxl h PHE 20 Cb 0.64 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2jxl h PHE 20 CO 0.01 0.71 -1.36 -0.22 -0.60 0.00 0.00 178.31 176.86 2jxl h LYS 21 N 0.45 0.29 0.20 1.51 3.64 -0.86 -3.13 116.57 118.67 2jxl h LYS 21 Ca 0.06 -0.50 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2jxl h LYS 21 Cb 0.67 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2jxl h LYS 21 CO 0.05 1.21 -0.09 0.00 -2.27 0.00 0.00 179.45 178.34 2jxl h ALA 22 N 0.51 -0.26 -0.78 5.00 0.00 -0.99 -2.65 119.26 120.08 2jxl h ALA 22 Ca -0.18 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.69 2jxl h ALA 22 Cb 2.01 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.85 2jxl h ALA 22 CO 0.20 -0.36 0.53 0.00 0.00 0.00 0.00 179.25 179.62 2jxl h ALA 23 N -0.31 2.22 -0.31 0.00 0.00 -0.96 -0.29 119.26 119.60 2jxl h ALA 23 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jxl h ALA 23 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jxl h ALA 23 CO 0.04 -0.44 -0.26 0.35 0.00 0.00 0.00 179.25 178.95 2jxl h PHE 24 N 0.35 0.86 -0.15 0.00 3.57 -1.55 -2.75 116.94 117.28 2jxl h PHE 24 Ca 0.39 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2jxl h PHE 24 Cb 0.99 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2jxl h PHE 24 CO -0.00 0.99 -0.24 0.22 -2.23 0.00 0.00 178.31 177.04 2jxl h ASP 25 N 0.48 0.25 0.36 0.41 3.58 -0.73 -1.76 116.42 119.02 2jxl h ASP 25 Ca 0.06 -0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2jxl h ASP 25 Cb 0.82 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2jxl h ASP 25 CO 0.07 0.51 -0.44 0.40 -2.88 0.00 0.00 179.24 176.89 2jxl h ILE 26 N 0.24 1.32 0.19 2.25 2.04 -1.10 -1.33 117.51 121.12 2jxl h ILE 26 Ca 0.04 -1.55 -0.32 0.00 1.00 0.00 0.00 64.86 64.03 2jxl h ILE 26 Cb 0.56 1.78 0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2jxl h ILE 26 CO 0.04 0.45 -1.37 -0.26 0.00 0.00 0.00 178.15 177.01 2jxl h PHE 27 N 0.08 0.96 -0.10 1.37 -1.00 -1.16 -3.21 116.94 113.89 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 0.82 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.32 2jxl h PHE 27 CO 0.01 1.51 0.00 1.33 -1.61 0.00 0.00 178.31 179.54 2jxl n VAL 28 N -3.73 0.13 0.02 -0.55 0.24 -0.70 -4.03 118.33 109.70 2jxl n VAL 28 Ca -0.15 -0.18 0.22 0.00 -2.04 0.00 0.00 64.34 62.19 2jxl n VAL 28 Cb 1.05 0.05 0.73 0.00 -1.47 0.00 0.00 33.84 34.20 2jxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2jxl h LEU 29 N 1.05 0.00 0.00 1.34 3.38 -1.24 0.22 115.31 120.05 2jxl h LEU 29 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2jxl h LEU 29 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2jxl h LEU 29 CO 0.00 0.00 -1.31 0.61 0.09 0.00 0.00 178.44 177.83 2jxl n GLY 30 N -1.56 -1.28 3.78 0.83 0.00 -1.26 -4.93 105.19 100.77 2jxl n GLY 30 Ca 0.10 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2jxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ALA 31 N -3.09 2.02 -0.16 4.61 0.00 0.76 -5.01 121.76 120.89 2jxl s ALA 31 Ca -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.80 2jxl s ALA 31 Cb 0.09 -3.12 -0.13 0.00 0.00 0.00 0.00 23.12 19.96 2jxl s ALA 31 CO 0.81 -1.94 -0.08 -0.85 0.00 0.00 0.00 175.76 173.70 2jxl n GLU 32 N -3.58 0.92 0.05 0.00 0.28 -1.26 -4.61 120.64 112.44 2jxl n GLU 32 Ca 0.07 0.06 -0.12 0.00 -0.16 0.00 0.00 57.16 57.01 2jxl n GLU 32 Cb 0.56 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 31.96 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jxl h ASP 33 N 0.00 0.21 0.00 -1.84 3.32 -1.95 -3.48 116.42 112.68 2jxl h ASP 33 Ca -0.37 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.40 2jxl h ASP 33 Cb 1.66 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.15 2jxl h ASP 33 CO -0.03 1.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 2jxl n GLY 34 N 1.55 0.79 3.38 2.75 0.00 -1.26 -5.15 105.19 107.25 2jxl n GLY 34 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.72 1.70 0.17 0.00 1.01 -1.17 -4.62 121.20 114.58 2jxl s ILE 36 Ca 0.33 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2jxl s ILE 36 Cb 0.03 -1.59 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 2jxl s ILE 36 CO 0.16 0.46 0.60 -0.94 0.00 0.00 0.00 174.94 175.22 2jxl s SER 37 N 1.43 6.89 0.55 3.58 1.04 -1.26 -2.92 113.70 123.01 2jxl s SER 37 Ca 0.05 1.18 0.31 0.00 0.48 0.00 0.00 55.95 57.97 2jxl s SER 37 Cb -0.13 -2.33 1.47 0.00 0.10 0.00 0.00 66.02 65.14 2jxl s SER 37 CO -0.11 0.08 1.88 0.00 0.98 0.00 0.00 173.24 176.07 2jxl h THR 38 N 2.78 0.51 0.27 2.02 1.03 -1.92 0.42 112.91 118.02 2jxl h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.90 2jxl h THR 38 Cb 1.19 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2jxl h THR 38 CO 0.66 0.00 -0.13 0.50 -0.01 0.00 0.00 175.52 176.54 2jxl h LYS 39 N 0.00 -0.35 0.00 0.00 3.64 -1.92 -2.96 116.57 114.98 2jxl h LYS 39 Ca 0.39 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2jxl h LYS 39 Cb 1.64 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 2jxl h LYS 39 CO -0.00 -0.03 -0.44 0.93 -2.27 0.00 0.00 179.45 177.64 2jxl h GLU 40 N -0.71 0.00 0.00 1.90 4.39 -1.59 -2.92 114.58 115.64 2jxl h GLU 40 Ca -0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 40 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2jxl h GLU 40 CO 0.06 0.44 -0.07 1.25 -1.16 0.00 0.00 179.01 179.53 2jxl h LEU 41 N 0.00 0.00 -0.60 1.33 5.85 -0.20 -1.97 115.31 119.72 2jxl h LEU 41 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2jxl h LEU 41 Cb 0.96 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2jxl h LEU 41 CO 0.06 0.07 -0.66 1.23 -0.34 0.00 0.00 178.44 178.80 2jxl h GLY 42 N 0.41 0.18 1.15 3.75 0.00 -1.34 -3.17 103.07 104.05 2jxl h GLY 42 Ca -0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 2jxl h GLY 42 CO 0.01 0.22 0.03 0.50 0.00 0.00 0.00 176.54 177.30 2jxl h LYS 43 N 0.11 1.02 0.00 4.80 6.56 -1.48 -2.52 116.57 125.07 2jxl h LYS 43 Ca -0.01 -0.30 -0.03 0.00 -1.06 0.00 0.00 60.65 59.25 2jxl h LYS 43 Cb 1.19 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2jxl h LYS 43 CO 0.10 0.98 -0.16 0.28 -2.06 0.00 0.00 179.45 178.59 2jxl h VAL 44 N 0.94 0.87 -0.40 0.50 2.07 -1.52 -2.79 116.25 115.92 2jxl h VAL 44 Ca 0.18 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2jxl h VAL 44 Cb 0.50 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2jxl h VAL 44 CO 0.02 0.15 0.18 0.24 0.02 0.00 0.00 177.57 178.19 2jxl h MET 45 N 0.00 0.37 -0.17 1.57 2.86 -1.45 -0.73 114.93 117.38 2jxl h MET 45 Ca -0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2jxl h MET 45 Cb 0.33 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2jxl h MET 45 CO 0.02 0.24 0.22 0.07 1.06 0.00 0.00 176.91 178.52 2jxl h ARG 46 N 0.38 0.00 -0.44 1.72 -0.00 -0.92 -0.42 114.38 114.70 2jxl h ARG 46 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 60.03 2jxl h ARG 46 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.06 2jxl h ARG 46 CO -0.14 0.00 -0.22 0.52 -0.00 0.00 0.00 179.97 180.13 2jxl h MET 47 N 0.00 0.93 0.00 0.08 0.00 -1.22 -2.91 114.93 111.80 2jxl h MET 47 Ca 0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 59.70 59.32 2jxl h MET 47 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 31.60 32.08 2jxl h MET 47 CO -0.00 1.07 -0.25 -0.07 0.00 0.00 0.00 176.91 177.66 2jxl h LEU 48 N 0.77 0.00 0.00 1.22 -0.00 -1.04 -3.46 115.31 112.79 2jxl h LEU 48 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2jxl h LEU 48 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2jxl h LEU 48 CO 0.07 0.25 0.00 0.61 -0.00 0.00 0.00 178.44 179.36 2jxl n GLY 49 N 0.59 1.72 3.05 0.83 0.00 -0.90 -5.13 105.19 105.35 2jxl n GLY 49 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2jxl n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jxl s GLN 50 N -0.01 0.73 -0.42 1.61 -2.07 -0.86 -4.99 119.66 113.65 2jxl s GLN 50 Ca 0.00 -0.49 0.08 0.00 -1.82 0.00 0.00 55.36 53.13 2jxl s GLN 50 Cb 0.00 -0.69 0.25 0.00 -1.09 0.00 0.00 33.01 31.48 2jxl s GLN 50 CO 0.00 0.18 0.55 0.27 -1.32 0.00 0.00 175.29 174.97 2jxl n ASN 51 N 2.42 0.62 -4.25 12.60 6.94 -1.26 -1.34 115.26 131.00 2jxl n ASN 51 Ca -0.16 -2.79 -0.29 0.00 -0.02 0.00 0.00 54.58 51.32 2jxl n ASN 51 Cb 0.56 -0.64 0.21 0.00 -2.36 0.00 0.00 39.78 37.55 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2jxl s PRO 52 N -1.36 -0.45 0.95 -0.53 0.04 -1.26 -5.00 135.00 127.39 2jxl s PRO 52 Ca 0.36 0.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.49 2jxl s PRO 52 Cb 0.17 -1.66 0.09 0.00 0.04 0.00 0.00 34.50 33.14 2jxl s PRO 52 CO -0.10 -3.26 0.73 0.25 0.04 0.00 0.00 177.00 174.67 2jxl n THR 53 N -4.49 0.00 -0.03 1.26 -2.24 -1.26 -4.95 114.28 102.57 2jxl n THR 53 Ca 0.09 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.62 2jxl n THR 53 Cb 0.58 -0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.76 0.14 0.00 -0.78 0.13 -1.99 -3.15 132.00 124.59 2jxl h PRO 54 Ca -0.44 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jxl h PRO 54 CO 0.38 0.58 -0.20 0.93 -0.23 0.00 0.00 178.00 179.47 2jxl h GLU 55 N -0.30 0.00 -0.79 0.86 5.08 -1.97 -2.51 114.58 114.94 2jxl h GLU 55 Ca 0.01 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2jxl h GLU 55 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2jxl h GLU 55 CO 0.01 0.20 0.52 0.93 -1.00 0.00 0.00 179.01 179.67 2jxl h GLU 56 N 0.00 0.90 -0.14 2.33 4.39 -1.91 -2.45 114.58 117.69 2jxl h GLU 56 Ca -0.00 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 56 Cb 0.38 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 2jxl h GLU 56 CO 0.03 0.59 -0.33 -0.07 -1.16 0.00 0.00 179.01 178.07 2jxl h LEU 57 N 0.92 -1.03 -1.91 1.33 -0.00 -1.50 0.59 115.31 113.71 2jxl h LEU 57 Ca 0.33 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.33 2jxl h LEU 57 Cb 0.13 0.44 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2jxl h LEU 57 CO -0.11 -0.36 -0.12 -0.61 -0.00 0.00 0.00 178.44 177.24 2jxl h GLN 58 N -0.40 0.00 0.27 1.13 5.75 -1.63 -2.82 115.11 117.42 2jxl h GLN 58 Ca 0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 2jxl h GLN 58 Cb 0.55 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 2jxl h GLN 58 CO -0.37 0.12 -0.15 1.49 -2.65 0.00 0.00 178.83 177.27 2jxl h GLU 59 N 0.00 -0.38 0.00 1.69 4.57 -0.43 0.12 114.58 120.15 2jxl h GLU 59 Ca -0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2jxl h GLU 59 Cb 0.34 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2jxl h GLU 59 CO 0.02 -0.25 -0.24 0.52 -1.18 0.00 0.00 179.01 177.87 2jxl h MET 60 N -0.39 0.00 0.00 1.92 2.86 -1.28 -2.47 114.93 115.57 2jxl h MET 60 Ca -0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 2jxl h MET 60 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2jxl h MET 60 CO 0.05 0.24 -0.28 0.82 1.06 0.00 0.00 176.91 178.80 2jxl h ILE 61 N 0.00 0.50 -0.05 -1.22 2.04 -1.19 -3.12 117.51 114.48 2jxl h ILE 61 Ca -0.00 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 2jxl h ILE 61 Cb 0.61 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2jxl h ILE 61 CO 0.03 0.27 0.01 -0.78 0.00 0.00 0.00 178.15 177.69 2jxl h ASP 62 N 0.00 0.07 0.97 1.72 3.58 -0.29 0.29 116.42 122.76 2jxl h ASP 62 Ca -0.00 -0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2jxl h ASP 62 Cb 1.13 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 2jxl h ASP 62 CO 0.04 0.27 -0.12 -0.08 -2.88 0.00 0.00 179.24 176.47 2jxl h GLU 63 N -0.13 0.00 0.02 0.28 4.22 -1.63 -3.20 114.58 114.14 2jxl h GLU 63 Ca 0.02 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 2jxl h GLU 63 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jxl h GLU 63 CO -0.00 0.12 -0.29 0.28 -2.18 0.00 0.00 179.01 176.94 2jxl h VAL 64 N 0.00 1.63 -2.15 0.32 2.07 -1.42 -3.44 116.25 113.26 2jxl h VAL 64 Ca -0.00 -2.35 -0.55 0.00 0.82 0.00 0.00 66.70 64.62 2jxl h VAL 64 Cb 0.63 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 2jxl h VAL 64 CO 0.02 0.59 1.43 -0.62 0.02 0.00 0.00 177.57 179.00 2jxl s ASP 65 N -6.40 5.40 0.33 0.57 -1.08 0.98 -4.83 116.67 111.64 2jxl s ASP 65 Ca -0.20 1.38 0.13 0.00 -0.52 0.00 0.00 52.55 53.34 2jxl s ASP 65 Cb -0.01 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.52 2jxl s ASP 65 CO 0.69 -2.09 1.73 1.05 0.52 0.00 0.00 175.17 177.08 2jxl h GLU 66 N 15.12 0.00 -0.00 4.34 -0.00 -1.85 -2.78 114.58 129.42 2jxl h GLU 66 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2jxl h GLU 66 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2jxl h GLU 66 CO 1.05 0.47 -0.65 -0.40 -0.00 0.00 0.00 179.01 179.48 2jxl n ASP 67 N -3.90 1.13 -3.89 3.06 5.68 -1.26 -4.97 116.55 112.40 2jxl n ASP 67 Ca -0.01 -0.93 -0.29 0.00 -0.50 0.00 0.00 54.79 53.05 2jxl n ASP 67 Cb 0.50 0.57 0.03 0.00 -1.14 0.00 0.00 41.12 41.08 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 1.46 -0.49 0.19 6.12 0.00 -1.05 -4.85 105.19 106.57 2jxl n GLY 68 Ca 0.07 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.11 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.29 2jxl h SER 69 Ca -0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2jxl h SER 69 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2jxl h SER 69 CO 0.66 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 2jxl n GLY 70 N 0.85 1.08 3.32 -0.77 0.00 -1.26 -5.09 105.19 103.32 2jxl n GLY 70 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.05 -0.19 2.61 -4.23 -1.26 -4.54 115.64 106.07 2jxl s THR 71 Ca 0.00 -0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 59.97 2jxl s THR 71 Cb 0.00 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 2jxl s THR 71 CO 0.00 -0.21 0.41 -0.69 -0.54 0.00 0.00 174.62 173.59 2jxl s VAL 72 N -1.61 5.20 0.49 2.29 1.01 -1.15 -4.82 120.40 121.81 2jxl s VAL 72 Ca -0.11 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.67 2jxl s VAL 72 Cb -0.03 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.65 2jxl s VAL 72 CO 0.04 0.26 0.67 -0.62 0.00 0.00 0.00 175.10 175.45 2jxl s ASP 73 N 0.97 5.43 0.53 3.32 2.15 -1.26 -3.03 116.67 124.78 2jxl s ASP 73 Ca 0.20 -0.39 0.24 0.00 0.43 0.00 0.00 52.55 53.03 2jxl s ASP 73 Cb -0.15 -0.54 1.39 0.00 -0.30 0.00 0.00 42.92 43.33 2jxl s ASP 73 CO 0.08 -0.98 2.02 0.15 -0.17 0.00 0.00 175.17 176.27 2jxl h PHE 74 N 0.39 0.00 0.40 -5.34 3.57 -1.98 0.44 116.94 114.42 2jxl h PHE 74 Ca -0.39 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 2jxl h PHE 74 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2jxl h PHE 74 CO 0.37 0.00 -0.19 0.22 -2.23 0.00 0.00 178.31 176.48 2jxl h ASP 75 N 0.00 -0.45 0.12 0.41 1.82 -1.99 -2.32 116.42 114.00 2jxl h ASP 75 Ca 0.21 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.84 2jxl h ASP 75 Cb 0.86 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.98 2jxl h ASP 75 CO -0.00 -0.05 -0.12 -0.33 -1.61 0.00 0.00 179.24 177.13 2jxl h GLU 76 N -1.09 0.01 -0.29 0.28 5.08 -1.82 -1.67 114.58 115.08 2jxl h GLU 76 Ca -0.05 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2jxl h GLU 76 Cb 0.41 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jxl h GLU 76 CO 0.09 0.13 -0.31 2.35 -1.00 0.00 0.00 179.01 180.27 2jxl h TRP 77 N 0.01 0.71 0.05 4.33 7.01 -0.19 -1.12 115.95 126.74 2jxl h TRP 77 Ca 0.00 -0.18 -0.00 0.00 2.11 0.00 0.00 58.89 60.82 2jxl h TRP 77 Cb 0.23 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 2jxl h TRP 77 CO 0.00 0.85 -0.02 1.25 -2.79 0.00 0.00 178.44 177.73 2jxl h LEU 78 N 0.52 -0.05 -2.12 0.65 6.46 -0.79 -3.24 115.31 116.74 2jxl h LEU 78 Ca 0.06 -0.60 -0.01 0.00 -0.12 0.00 0.00 57.88 57.21 2jxl h LEU 78 Cb 0.80 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2jxl h LEU 78 CO 0.07 0.62 -0.04 -0.37 -0.62 0.00 0.00 178.44 178.09 2jxl h VAL 79 N -0.78 0.78 -0.65 1.05 -1.51 -1.37 -2.56 116.25 111.21 2jxl h VAL 79 Ca -0.01 -0.17 0.12 0.00 -1.23 0.00 0.00 66.70 65.41 2jxl h VAL 79 Cb 0.65 1.10 -0.09 0.00 -2.13 0.00 0.00 31.29 30.82 2jxl h VAL 79 CO 0.01 0.04 0.19 -0.03 -1.23 0.00 0.00 177.57 176.56 2jxl h MET 80 N 0.00 0.32 -0.55 5.19 1.85 -1.22 -0.94 114.93 119.59 2jxl h MET 80 Ca -0.00 -0.02 -0.11 0.00 -0.61 0.00 0.00 59.70 58.96 2jxl h MET 80 Cb 0.09 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.03 2jxl h MET 80 CO 0.01 0.21 -0.10 1.98 -0.40 0.00 0.00 176.91 178.61 2jxl h MET 81 N 0.33 1.03 -0.82 0.39 -1.53 -1.58 -2.88 114.93 109.88 2jxl h MET 81 Ca 0.34 -0.38 0.15 0.00 -3.44 0.00 0.00 59.70 56.36 2jxl h MET 81 Cb 0.50 -0.07 -0.06 0.00 -0.55 0.00 0.00 31.60 31.42 2jxl h MET 81 CO -0.39 1.07 0.54 0.00 0.14 0.00 0.00 176.91 178.27 2jxl h ALA 82 N 0.93 1.97 0.00 0.39 0.00 -1.20 0.24 119.26 121.59 2jxl h ALA 82 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jxl h ALA 82 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2jxl h ALA 82 CO 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 179.25 179.02 2jxl h ARG 83 N 0.56 0.00 0.00 0.00 3.08 -1.16 -1.11 114.38 115.74 2jxl h ARG 83 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2jxl h ARG 83 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2jxl h ARG 83 CO -0.16 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 178.82 2jxl h MET 85 N 0.00 0.53 0.00 0.00 2.86 -1.26 -3.04 114.93 114.02 2jxl h MET 85 Ca 0.00 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2jxl h MET 85 Cb 0.38 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jxl h MET 85 CO 0.00 1.08 0.00 1.17 1.06 0.00 0.00 176.91 180.22 2jxl n LYS 86 N -4.20 0.13 -4.11 1.72 3.00 -1.11 -4.87 118.16 108.70 2jxl n LYS 86 Ca -0.08 0.14 -0.34 0.00 -0.00 0.00 0.00 58.31 58.03 2jxl n LYS 86 Cb 0.62 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.15 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jxl n ASP 87 N -1.40 -3.65 -3.66 3.14 8.00 -1.15 -4.94 116.55 112.88 2jxl n ASP 87 Ca 0.07 -0.94 -0.20 0.00 0.71 0.00 0.00 54.79 54.43 2jxl n ASP 87 Cb 0.19 -3.13 -0.18 0.00 -0.02 0.00 0.00 41.12 37.98 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jxl s ASP 88 N -3.35 1.22 0.00 -2.24 2.15 -1.26 -5.11 116.67 108.08 2jxl s ASP 88 Ca 0.68 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.70 2jxl s ASP 88 Cb -0.36 -0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.15 2jxl s ASP 88 CO 0.90 -0.26 0.00 -1.54 -0.17 0.00 0.00 175.17 174.10