#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl n ASP 2 N 0.00 3.22 0.20 7.83 8.00 -1.26 -4.83 116.55 129.71 2jxl n ASP 2 Ca 0.00 0.70 0.07 0.00 0.71 0.00 0.00 54.79 56.27 2jxl n ASP 2 Cb 0.00 -1.40 0.37 0.00 -0.02 0.00 0.00 41.12 40.07 2jxl n ASP 2 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2jxl h ASP 3 N 11.13 0.00 0.14 -2.24 2.03 -2.05 -2.30 116.42 123.13 2jxl h ASP 3 Ca -0.43 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.77 2jxl h ASP 3 Cb 1.27 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.76 2jxl h ASP 3 CO 0.96 0.33 -0.34 -0.29 -1.03 0.00 0.00 179.24 178.87 2jxl h ILE 4 N 0.00 1.28 0.16 4.15 2.10 -1.99 -0.45 117.51 122.76 2jxl h ILE 4 Ca -0.00 -1.37 -0.28 0.00 1.08 0.00 0.00 64.86 64.28 2jxl h ILE 4 Cb 0.85 1.55 0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2jxl h ILE 4 CO 0.04 0.42 -1.38 1.88 -1.08 0.00 0.00 178.15 178.03 2jxl h TYR 5 N 0.26 0.60 0.00 2.19 0.05 -1.91 -3.28 116.97 114.87 2jxl h TYR 5 Ca 0.03 -0.44 -0.05 0.00 0.05 0.00 0.00 58.73 58.32 2jxl h TYR 5 Cb 0.73 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 2jxl h TYR 5 CO 0.02 1.54 -0.24 1.57 -1.05 0.00 0.00 178.16 179.99 2jxl h LYS 6 N -0.17 0.00 -0.46 4.88 5.09 -1.41 -0.60 116.57 123.90 2jxl h LYS 6 Ca -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.33 2jxl h LYS 6 Cb 1.87 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.19 2jxl h LYS 6 CO 0.13 0.24 -0.24 0.00 -2.09 0.00 0.00 179.45 177.50 2jxl h ALA 7 N 1.76 0.65 0.16 0.07 0.00 -1.18 0.34 119.26 121.06 2jxl h ALA 7 Ca -0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 54.91 54.21 2jxl h ALA 7 Cb 0.53 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jxl h ALA 7 CO 0.03 0.66 -1.33 0.00 0.00 0.00 0.00 179.25 178.61 2jxl h ALA 8 N 0.85 0.05 -0.01 0.00 0.00 -1.55 -3.16 119.26 115.44 2jxl h ALA 8 Ca 0.10 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 53.98 2jxl h ALA 8 Cb 0.82 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jxl h ALA 8 CO 0.07 0.93 -0.58 -0.24 0.00 0.00 0.00 179.25 179.43 2jxl h VAL 9 N 0.09 1.42 0.00 0.00 3.04 -1.11 -2.97 116.25 116.72 2jxl h VAL 9 Ca -0.18 -1.99 -0.12 0.00 -1.01 0.00 0.00 66.70 63.40 2jxl h VAL 9 Cb 2.02 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 33.35 2jxl h VAL 9 CO 0.22 0.57 -0.59 -0.33 -1.01 0.00 0.00 177.57 176.43 2jxl h GLU 10 N 0.02 0.00 -0.36 4.17 4.39 -1.00 -2.71 114.58 119.10 2jxl h GLU 10 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 10 Cb 1.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2jxl h GLU 10 CO 0.08 0.59 0.00 0.00 -1.16 0.00 0.00 179.01 178.52 2jxl n GLN 11 N -3.80 1.79 -1.16 2.33 10.64 -1.13 -4.91 117.38 121.14 2jxl n GLN 11 Ca -0.01 -1.10 -0.30 0.00 -1.83 0.00 0.00 57.00 53.75 2jxl n GLN 11 Cb 0.60 -1.29 0.24 0.00 -0.86 0.00 0.00 30.24 28.93 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 -1.01 0.81 0.26 2.61 1.43 -1.03 -5.07 118.68 116.69 2jxl s LEU 12 Ca 0.20 0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 2jxl s LEU 12 Cb 0.11 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2jxl s LEU 12 CO 0.13 -4.12 0.28 0.28 0.23 0.00 0.00 176.35 173.15 2jxl s THR 13 N -3.11 4.56 0.40 5.49 -1.32 -1.26 -4.98 115.64 115.42 2jxl s THR 13 Ca 0.72 -1.24 0.15 0.00 -1.21 0.00 0.00 61.69 60.11 2jxl s THR 13 Cb -0.08 -3.52 0.36 0.00 -1.51 0.00 0.00 72.50 67.76 2jxl s THR 13 CO 0.55 -0.31 1.85 -0.33 -2.21 0.00 0.00 174.62 174.17 2jxl h GLU 14 N 1.32 0.47 -0.49 7.08 5.08 -1.99 0.18 114.58 126.22 2jxl h GLU 14 Ca -0.49 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 2jxl h GLU 14 Cb 1.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2jxl h GLU 14 CO 0.60 0.31 0.09 0.93 -1.00 0.00 0.00 179.01 179.94 2jxl h GLU 15 N 0.48 0.81 0.93 2.33 5.08 -1.97 -0.06 114.58 122.18 2jxl h GLU 15 Ca 0.48 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2jxl h GLU 15 Cb 1.09 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.25 2jxl h GLU 15 CO -0.21 0.80 -0.45 1.96 -1.00 0.00 0.00 179.01 180.12 2jxl h GLN 16 N 0.69 -1.21 -0.92 2.33 1.08 -1.37 0.84 115.11 116.55 2jxl h GLN 16 Ca 0.15 0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.51 2jxl h GLN 16 Cb 0.37 0.27 -0.06 0.00 -0.05 0.00 0.00 27.48 28.02 2jxl h GLN 16 CO 0.01 -0.80 0.59 -0.22 -0.95 0.00 0.00 178.83 177.46 2jxl h LYS 17 N -1.32 0.97 -0.38 1.46 1.63 -1.43 -0.98 116.57 116.51 2jxl h LYS 17 Ca -0.13 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.53 2jxl h LYS 17 Cb 0.96 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2jxl h LYS 17 CO 0.21 0.64 -0.11 -0.97 -3.45 0.00 0.00 179.45 175.78 2jxl h ASN 18 N 1.00 0.66 -0.54 4.20 -1.24 -0.87 -1.95 115.58 116.84 2jxl h ASN 18 Ca 0.41 -0.18 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 2jxl h ASN 18 Cb 0.28 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2jxl h ASN 18 CO -0.17 0.80 0.01 -0.33 -1.29 0.00 0.00 177.43 176.45 2jxl h GLU 19 N 0.62 0.95 -0.29 6.67 5.08 0.49 0.36 114.58 128.45 2jxl h GLU 19 Ca 0.11 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2jxl h GLU 19 Cb 0.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2jxl h GLU 19 CO 0.03 0.96 -0.01 0.74 -1.00 0.00 0.00 179.01 179.73 2jxl h PHE 20 N 0.83 0.57 -0.16 4.33 0.04 -1.17 0.17 116.94 121.55 2jxl h PHE 20 Ca 0.15 -0.10 -0.16 0.00 2.80 0.00 0.00 57.97 60.66 2jxl h PHE 20 Cb 0.52 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2jxl h PHE 20 CO 0.04 0.67 -0.58 -0.22 -0.60 0.00 0.00 178.31 177.61 2jxl h LYS 21 N 0.31 0.51 -0.09 1.51 3.64 -1.29 0.27 116.57 121.43 2jxl h LYS 21 Ca 0.08 -0.34 -0.16 0.00 -1.27 0.00 0.00 60.65 58.96 2jxl h LYS 21 Cb 0.45 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jxl h LYS 21 CO 0.02 0.95 -0.65 0.00 -2.27 0.00 0.00 179.45 177.49 2jxl h ALA 22 N 0.98 0.72 0.06 5.00 0.00 -0.20 -2.98 119.26 122.83 2jxl h ALA 22 Ca -0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 54.91 54.07 2jxl h ALA 22 Cb 1.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jxl h ALA 22 CO 0.11 0.74 -1.42 0.00 0.00 0.00 0.00 179.25 178.68 2jxl h ALA 23 N 1.06 0.40 0.00 0.00 0.00 -0.59 -3.31 119.26 116.82 2jxl h ALA 23 Ca -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 2jxl h ALA 23 Cb 1.19 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jxl h ALA 23 CO 0.11 1.27 -0.14 0.35 0.00 0.00 0.00 179.25 180.83 2jxl h PHE 24 N 0.03 0.00 -0.69 0.00 3.57 -0.47 -2.41 116.94 116.97 2jxl h PHE 24 Ca -0.18 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.27 2jxl h PHE 24 Cb 1.94 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.65 2jxl h PHE 24 CO 0.03 0.14 0.25 0.22 -2.23 0.00 0.00 178.31 176.73 2jxl h ASP 25 N 0.00 0.97 -0.56 0.41 3.58 -1.61 -2.06 116.42 117.16 2jxl h ASP 25 Ca -0.00 -0.19 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 2jxl h ASP 25 Cb 0.28 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2jxl h ASP 25 CO 0.02 0.90 -0.01 0.40 -2.88 0.00 0.00 179.24 177.67 2jxl h ILE 26 N 0.99 1.26 0.16 2.25 5.03 -1.59 0.26 117.51 125.88 2jxl h ILE 26 Ca 0.23 -1.14 -0.01 0.00 -0.12 0.00 0.00 64.86 63.82 2jxl h ILE 26 Cb 0.25 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 34.86 2jxl h ILE 26 CO -0.01 0.41 -0.08 -0.26 -0.68 0.00 0.00 178.15 177.53 2jxl h PHE 27 N 0.93 -0.20 -0.07 1.37 0.04 -1.34 -2.50 116.94 115.16 2jxl h PHE 27 Ca 0.17 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2jxl h PHE 27 Cb 0.55 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2jxl h PHE 27 CO 0.04 -0.04 0.00 1.33 -0.60 0.00 0.00 178.31 179.04 2jxl n VAL 28 N -5.14 0.09 0.30 -0.55 0.24 -0.80 -3.78 118.33 108.69 2jxl n VAL 28 Ca -0.09 -0.16 0.18 0.00 -2.04 0.00 0.00 64.34 62.23 2jxl n VAL 28 Cb 0.15 0.03 0.91 0.00 -1.47 0.00 0.00 33.84 33.46 2jxl n VAL 28 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 2jxl h LEU 29 N 1.08 0.00 0.00 1.34 8.10 -0.00 -2.28 115.31 123.55 2jxl h LEU 29 Ca 0.00 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.82 2jxl h LEU 29 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.43 2jxl h LEU 29 CO 0.00 0.03 -1.37 1.23 -4.11 0.00 0.00 178.44 174.22 2jxl h GLY 30 N 0.91 0.00 -0.88 0.17 0.00 -1.72 -3.47 103.07 98.08 2jxl h GLY 30 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2jxl h GLY 30 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 176.54 176.79 2jxl s ALA 31 N -2.90 1.25 -0.15 3.60 0.00 -0.86 -5.02 121.76 117.68 2jxl s ALA 31 Ca -0.03 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 50.95 2jxl s ALA 31 Cb 0.09 -2.84 -0.14 0.00 0.00 0.00 0.00 23.12 20.23 2jxl s ALA 31 CO 0.81 -3.14 -0.04 0.39 0.00 0.00 0.00 175.76 173.77 2jxl n GLU 32 N -4.38 1.20 -0.03 0.00 1.02 -1.26 -4.63 120.64 112.56 2jxl n GLU 32 Ca 0.14 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.20 2jxl n GLU 32 Cb 0.59 -1.34 -0.14 0.00 -0.02 0.00 0.00 31.44 30.54 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jxl n ASP 33 N -2.72 1.12 0.00 1.62 8.00 -1.26 -5.00 116.55 118.31 2jxl n ASP 33 Ca -0.25 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2jxl n ASP 33 Cb 0.88 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 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 1.70 0.94 3.26 0.44 0.00 -1.26 -5.16 105.19 105.10 2jxl n GLY 34 Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.74 1.78 0.00 0.00 1.01 -1.22 -4.46 121.20 114.57 2jxl s ILE 36 Ca 0.40 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 2jxl s ILE 36 Cb 0.04 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2jxl s ILE 36 CO 0.21 0.49 0.57 -0.55 0.00 0.00 0.00 174.94 175.66 2jxl s SER 37 N 1.30 6.96 0.48 3.58 0.15 -1.26 -2.78 113.70 122.13 2jxl s SER 37 Ca 0.03 1.14 0.29 0.00 0.70 0.00 0.00 55.95 58.10 2jxl s SER 37 Cb -0.13 -2.35 1.36 0.00 -1.71 0.00 0.00 66.02 63.19 2jxl s SER 37 CO -0.10 0.14 1.78 0.00 1.20 0.00 0.00 173.24 176.27 2jxl h THR 38 N 4.03 0.44 -0.36 6.45 1.03 -1.93 0.46 112.91 123.03 2jxl h THR 38 Ca -0.46 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 65.83 2jxl h THR 38 Cb 1.20 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.53 2jxl h THR 38 CO 0.68 0.03 0.02 0.50 -0.01 0.00 0.00 175.52 176.75 2jxl h LYS 39 N 0.16 0.62 0.02 0.00 3.64 -1.92 -2.30 116.57 116.79 2jxl h LYS 39 Ca 0.59 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 59.58 2jxl h LYS 39 Cb 1.96 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 2jxl h LYS 39 CO -0.15 0.72 -0.94 0.93 -2.27 0.00 0.00 179.45 177.74 2jxl h GLU 40 N 0.44 0.09 -0.45 1.90 4.39 -0.89 -3.20 114.58 116.86 2jxl h GLU 40 Ca 0.10 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 40 Cb 0.42 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2jxl h GLU 40 CO 0.01 0.96 0.13 1.25 -1.16 0.00 0.00 179.01 180.21 2jxl h LEU 41 N 0.04 0.61 -0.59 1.33 5.85 -0.19 -2.35 115.31 120.00 2jxl h LEU 41 Ca -0.03 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 2jxl h LEU 41 Cb 1.62 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2jxl h LEU 41 CO 0.13 0.59 -0.70 1.23 -0.34 0.00 0.00 178.44 179.35 2jxl h GLY 42 N 0.84 0.03 0.66 3.75 0.00 -1.43 -3.23 103.07 103.69 2jxl h GLY 42 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2jxl h GLY 42 CO -0.01 0.04 -0.01 0.50 0.00 0.00 0.00 176.54 177.06 2jxl h LYS 43 N 0.02 0.09 -0.47 4.80 1.57 -1.43 -2.90 116.57 118.24 2jxl h LYS 43 Ca -0.01 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2jxl h LYS 43 Cb 1.24 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2jxl h LYS 43 CO 0.09 0.44 0.39 0.28 -0.57 0.00 0.00 179.45 180.08 2jxl h VAL 44 N -0.27 0.58 -0.91 0.50 2.07 -1.52 -0.37 116.25 116.33 2jxl h VAL 44 Ca 0.01 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.77 2jxl h VAL 44 Cb 0.41 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 2jxl h VAL 44 CO 0.00 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.47 2jxl h MET 45 N 0.00 0.17 -0.48 1.57 2.86 -1.53 0.33 114.93 117.85 2jxl h MET 45 Ca 0.22 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.87 2jxl h MET 45 Cb 1.01 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 2jxl h MET 45 CO -0.00 0.11 0.30 0.00 1.06 0.00 0.00 176.91 178.39 2jxl h ARG 46 N 0.18 0.60 0.00 1.72 3.08 -0.17 -0.46 114.38 119.33 2jxl h ARG 46 Ca 0.46 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 2jxl h ARG 46 Cb 1.51 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 2jxl h ARG 46 CO -0.09 0.40 -0.16 0.52 -1.07 0.00 0.00 179.97 179.56 2jxl h MET 47 N 0.62 0.00 0.00 0.04 2.86 -1.10 -1.67 114.93 115.68 2jxl h MET 47 Ca 0.19 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 2jxl h MET 47 Cb -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jxl h MET 47 CO -0.06 0.16 -0.38 -0.07 1.06 0.00 0.00 176.91 177.62 2jxl h LEU 48 N 0.00 0.00 0.00 1.22 3.38 -1.12 -3.47 115.31 115.33 2jxl h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jxl h LEU 48 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2jxl h LEU 48 CO 0.02 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2jxl n GLY 49 N 0.62 1.49 3.12 0.83 0.00 -0.63 -5.12 105.19 105.51 2jxl n GLY 49 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.18 0.69 -0.39 1.61 -0.21 -0.27 -5.00 119.66 115.90 2jxl s GLN 50 Ca 0.00 -0.92 0.10 0.00 0.02 0.00 0.00 55.36 54.56 2jxl s GLN 50 Cb 0.00 -0.51 0.31 0.00 1.00 0.00 0.00 33.01 33.81 2jxl s GLN 50 CO 0.00 0.10 0.66 0.27 -2.12 0.00 0.00 175.29 174.20 2jxl n ASN 51 N 1.18 0.83 -2.87 5.90 0.23 -1.26 -1.71 115.26 117.56 2jxl n ASN 51 Ca -0.21 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 50.91 2jxl n ASN 51 Cb 0.55 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 2jxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2jxl n PRO 52 N 0.69 -0.30 -3.44 -0.53 -0.04 -1.26 -5.05 135.00 125.08 2jxl n PRO 52 Ca 0.24 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.43 2jxl n PRO 52 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 2jxl n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jxl s THR 53 N -0.64 5.10 -0.00 0.52 -1.32 -1.26 -5.03 115.64 112.99 2jxl s THR 53 Ca 0.00 -0.22 -0.24 0.00 -1.21 0.00 0.00 61.69 60.02 2jxl s THR 53 Cb 0.00 -3.78 -0.19 0.00 -1.51 0.00 0.00 72.50 67.03 2jxl s THR 53 CO 0.00 -0.37 1.29 1.55 -2.21 0.00 0.00 174.62 174.89 2jxl h PRO 54 N 1.45 0.10 -0.60 7.08 0.13 -1.96 -3.06 132.00 135.13 2jxl h PRO 54 Ca -0.48 -0.05 0.17 0.00 -0.87 0.00 0.00 66.00 64.77 2jxl h PRO 54 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2jxl h PRO 54 CO 0.65 0.55 0.64 0.93 -0.23 0.00 0.00 178.00 180.54 2jxl h GLU 55 N -0.35 0.00 -0.07 0.86 5.08 -1.96 0.95 114.58 119.09 2jxl h GLU 55 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2jxl h GLU 55 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jxl h GLU 55 CO 0.01 0.00 -0.06 0.93 -1.00 0.00 0.00 179.01 178.89 2jxl h GLU 56 N 0.00 0.17 -0.12 2.33 5.08 -1.95 -2.28 114.58 117.81 2jxl h GLU 56 Ca 0.29 -0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2jxl h GLU 56 Cb 1.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 2jxl h GLU 56 CO -0.00 0.58 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.19 2jxl h LEU 57 N -0.25 -1.01 -2.18 1.33 -0.00 -0.87 0.68 115.31 113.01 2jxl h LEU 57 Ca 0.01 0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 58.03 2jxl h LEU 57 Cb 0.54 0.43 -0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2jxl h LEU 57 CO 0.01 -0.36 -0.06 -0.61 -0.00 0.00 0.00 178.44 177.42 2jxl h GLN 58 N -0.41 0.00 0.45 1.13 4.15 -1.59 -1.63 115.11 117.21 2jxl h GLN 58 Ca 0.09 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2jxl h GLN 58 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2jxl h GLN 58 CO -0.35 0.06 -0.22 1.49 -1.93 0.00 0.00 178.83 177.88 2jxl h GLU 59 N 0.00 -0.58 -0.28 1.69 4.81 -0.26 -0.35 114.58 119.61 2jxl h GLU 59 Ca -0.00 0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 2jxl h GLU 59 Cb 0.14 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jxl h GLU 59 CO 0.01 -0.35 -0.42 0.00 -0.73 0.00 0.00 179.01 177.52 2jxl h MET 60 N -0.68 0.69 0.00 1.92 -0.00 -1.19 -2.82 114.93 112.85 2jxl h MET 60 Ca -0.06 -0.36 -0.02 0.00 -0.00 0.00 0.00 59.70 59.26 2jxl h MET 60 Cb 0.50 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2jxl h MET 60 CO 0.10 0.98 -0.09 0.82 -0.00 0.00 0.00 176.91 178.72 2jxl h ILE 61 N 0.56 0.46 0.08 -0.10 2.04 -1.22 -2.24 117.51 117.08 2jxl h ILE 61 Ca 0.04 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2jxl h ILE 61 Cb 0.95 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 2jxl h ILE 61 CO 0.09 0.09 -0.04 -0.78 0.00 0.00 0.00 178.15 177.51 2jxl h ASP 62 N 0.00 -0.09 1.05 1.72 3.58 -0.79 0.28 116.42 122.17 2jxl h ASP 62 Ca -0.00 -0.25 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 2jxl h ASP 62 Cb 0.29 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.36 2jxl h ASP 62 CO 0.01 0.21 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.14 2jxl h GLU 63 N -0.39 0.00 0.00 0.28 4.39 -1.57 -3.26 114.58 114.04 2jxl h GLU 63 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2jxl h GLU 63 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2jxl h GLU 63 CO 0.02 0.11 -0.11 0.28 -1.16 0.00 0.00 179.01 178.15 2jxl h VAL 64 N 0.00 1.02 -1.99 3.13 2.07 -1.22 -3.43 116.25 115.83 2jxl h VAL 64 Ca -0.00 -1.80 -0.52 0.00 0.82 0.00 0.00 66.70 65.20 2jxl h VAL 64 Cb 0.66 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2jxl h VAL 64 CO 0.01 0.35 1.47 -0.62 0.02 0.00 0.00 177.57 178.80 2jxl s ASP 65 N -6.00 5.13 0.26 0.57 -1.08 0.96 -4.82 116.67 111.70 2jxl s ASP 65 Ca -0.13 1.15 0.04 0.00 -0.52 0.00 0.00 52.55 53.10 2jxl s ASP 65 Cb -0.01 -2.51 0.35 0.00 -1.46 0.00 0.00 42.92 39.29 2jxl s ASP 65 CO 0.42 -2.33 1.64 -0.33 0.52 0.00 0.00 175.17 175.08 2jxl h GLU 66 N 16.24 0.30 -0.00 4.34 4.39 -1.84 -2.95 114.58 135.05 2jxl h GLU 66 Ca -0.30 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2jxl h GLU 66 Cb 1.22 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2jxl h GLU 66 CO 1.10 0.71 -0.72 -0.40 -1.16 0.00 0.00 179.01 178.54 2jxl n ASP 67 N -3.98 1.18 -3.79 1.42 5.68 -1.26 -4.99 116.55 110.81 2jxl n ASP 67 Ca -0.02 -0.99 -0.23 0.00 -0.50 0.00 0.00 54.79 53.05 2jxl n ASP 67 Cb 0.52 0.66 0.02 0.00 -1.14 0.00 0.00 41.12 41.18 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 1.47 -0.29 0.00 6.12 0.00 -1.12 -4.84 105.19 106.53 2jxl n GLY 68 Ca 0.06 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2jxl n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxl n SER 69 N -3.02 0.00 0.00 1.61 3.41 -1.26 -4.87 113.62 109.49 2jxl n SER 69 Ca -0.28 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2jxl n SER 69 Cb 0.67 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2jxl n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jxl n GLY 70 N 1.02 0.41 3.38 5.00 0.00 -1.26 -5.05 105.19 108.68 2jxl n GLY 70 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.02 0.00 -0.12 2.61 -4.23 -1.26 -4.32 115.64 106.29 2jxl s THR 71 Ca 0.00 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 2jxl s THR 71 Cb 0.00 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2jxl s THR 71 CO 0.00 0.00 0.07 0.54 -0.54 0.00 0.00 174.62 174.69 2jxl s VAL 72 N -3.60 4.87 0.35 2.29 0.11 -1.12 -4.82 120.40 118.49 2jxl s VAL 72 Ca 0.34 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.44 2jxl s VAL 72 Cb 0.02 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.74 2jxl s VAL 72 CO 0.18 0.57 0.36 -0.62 -3.33 0.00 0.00 175.10 172.27 2jxl s ASP 73 N -0.59 5.46 0.38 3.54 2.15 -1.26 -3.42 116.67 122.93 2jxl s ASP 73 Ca 0.11 -0.44 0.14 0.00 0.43 0.00 0.00 52.55 52.79 2jxl s ASP 73 Cb -0.12 -0.97 0.98 0.00 -0.30 0.00 0.00 42.92 42.51 2jxl s ASP 73 CO 0.02 -0.43 1.82 0.15 -0.17 0.00 0.00 175.17 176.56 2jxl h PHE 74 N 1.10 0.71 0.85 -5.34 3.57 -1.98 0.45 116.94 116.29 2jxl h PHE 74 Ca -0.44 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 2jxl h PHE 74 Cb 1.26 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.79 2jxl h PHE 74 CO 0.49 0.17 -0.41 -0.44 -2.23 0.00 0.00 178.31 175.90 2jxl h ASP 75 N 0.52 -0.96 0.17 0.41 3.32 -2.00 -1.06 116.42 116.82 2jxl h ASP 75 Ca 0.52 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.57 2jxl h ASP 75 Cb 1.13 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 2jxl h ASP 75 CO -0.25 -0.62 -0.14 -0.33 -1.72 0.00 0.00 179.24 176.18 2jxl h GLU 76 N -1.28 0.00 -0.31 3.56 5.08 -1.77 -2.13 114.58 117.74 2jxl h GLU 76 Ca -0.12 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 2jxl h GLU 76 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jxl h GLU 76 CO 0.19 0.14 -0.28 2.35 -1.00 0.00 0.00 179.01 180.42 2jxl h TRP 77 N 0.00 0.71 0.02 4.33 7.01 0.00 -1.10 115.95 126.92 2jxl h TRP 77 Ca -0.00 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 60.83 2jxl h TRP 77 Cb 0.27 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 2jxl h TRP 77 CO 0.00 0.83 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.40 2jxl h LEU 78 N 0.54 -0.02 -1.07 0.65 3.38 -0.52 -3.15 115.31 115.11 2jxl h LEU 78 Ca 0.07 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2jxl h LEU 78 Cb 0.75 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 2jxl h LEU 78 CO 0.06 0.42 0.28 -0.37 0.09 0.00 0.00 178.44 178.92 2jxl h VAL 79 N -0.47 1.22 -0.57 1.22 -1.51 -1.48 -2.67 116.25 111.99 2jxl h VAL 79 Ca -0.00 -0.66 0.11 0.00 -1.23 0.00 0.00 66.70 64.92 2jxl h VAL 79 Cb 0.45 0.42 -0.09 0.00 -2.13 0.00 0.00 31.29 29.94 2jxl h VAL 79 CO 0.00 0.27 0.05 -0.03 -1.23 0.00 0.00 177.57 176.63 2jxl h MET 80 N 0.93 0.16 -0.51 5.19 -1.53 -1.18 -0.78 114.93 117.21 2jxl h MET 80 Ca 0.22 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.35 2jxl h MET 80 Cb 0.15 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 2jxl h MET 80 CO -0.02 0.11 -0.15 1.98 0.14 0.00 0.00 176.91 178.97 2jxl h MET 81 N 0.17 1.00 -0.77 0.39 -1.53 -1.46 -2.87 114.93 109.85 2jxl h MET 81 Ca 0.30 -0.38 0.14 0.00 -3.44 0.00 0.00 59.70 56.31 2jxl h MET 81 Cb 0.46 -0.06 -0.05 0.00 -0.55 0.00 0.00 31.60 31.40 2jxl h MET 81 CO -0.45 1.06 0.51 0.00 0.14 0.00 0.00 176.91 178.18 2jxl h ALA 82 N 0.94 2.03 0.00 0.39 0.00 -0.84 0.26 119.26 122.04 2jxl h ALA 82 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2jxl h ALA 82 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2jxl h ALA 82 CO 0.05 -0.23 -0.18 0.07 0.00 0.00 0.00 179.25 178.96 2jxl h ARG 83 N 0.49 0.00 0.00 0.00 0.11 -1.11 -2.57 114.38 111.30 2jxl h ARG 83 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 2jxl h ARG 83 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2jxl h ARG 83 CO -0.13 0.18 0.00 0.00 0.10 0.00 0.00 179.97 180.12 2jxl h MET 85 N 0.00 0.00 0.00 0.00 2.86 -1.48 -2.74 114.93 113.58 2jxl h MET 85 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jxl h MET 85 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2jxl h MET 85 CO 0.00 0.30 0.00 1.63 1.06 0.00 0.00 176.91 179.90 2jxl n LYS 86 N -3.39 0.09 -4.04 1.72 5.02 -0.88 -4.88 118.16 111.78 2jxl n LYS 86 Ca 0.00 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 56.16 2jxl n LYS 86 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jxl n ASP 87 N -1.43 -2.32 0.02 4.39 8.00 -1.03 -4.85 116.55 119.33 2jxl n ASP 87 Ca 0.06 -0.96 0.04 0.00 0.71 0.00 0.00 54.79 54.64 2jxl n ASP 87 Cb 0.19 -3.13 -0.09 0.00 -0.02 0.00 0.00 41.12 38.07 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jxl n ASP 88 N -2.83 0.53 0.00 -2.24 -0.08 -1.26 -5.17 116.55 105.50 2jxl n ASP 88 Ca -0.10 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2jxl n ASP 88 Cb 0.58 0.80 0.00 0.00 2.34 0.00 0.00 41.12 44.84 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08