#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 5.55 0.40 7.83 1.47 -1.26 -4.89 116.67 125.77 2jxl s ASP 2 Ca 0.00 -2.97 0.21 0.00 1.18 0.00 0.00 52.55 50.97 2jxl s ASP 2 Cb 0.00 -1.91 0.74 0.00 -0.34 0.00 0.00 42.92 41.41 2jxl s ASP 2 CO 0.00 -0.37 1.76 -2.24 0.68 0.00 0.00 175.17 175.00 2jxl h ASP 3 N 6.97 0.00 0.11 2.11 2.03 -2.05 -2.33 116.42 123.27 2jxl h ASP 3 Ca 0.03 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.24 2jxl h ASP 3 Cb 0.94 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.43 2jxl h ASP 3 CO 0.74 0.31 -0.31 -0.29 -1.03 0.00 0.00 179.24 178.66 2jxl h ILE 4 N 0.00 1.27 0.15 4.15 2.10 -2.00 -0.55 117.51 122.64 2jxl h ILE 4 Ca -0.00 -1.30 -0.30 0.00 1.08 0.00 0.00 64.86 64.33 2jxl h ILE 4 Cb 0.86 1.50 0.01 0.00 -1.09 0.00 0.00 36.82 38.09 2jxl h ILE 4 CO 0.04 0.40 -1.47 1.88 -1.08 0.00 0.00 178.15 177.92 2jxl h TYR 5 N 0.27 0.60 0.00 2.19 0.05 -1.89 -3.26 116.97 114.93 2jxl h TYR 5 Ca 0.04 -0.43 -0.05 0.00 0.05 0.00 0.00 58.73 58.33 2jxl h TYR 5 Cb 0.69 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 2jxl h TYR 5 CO 0.01 1.57 -0.23 1.57 -1.05 0.00 0.00 178.16 180.04 2jxl h LYS 6 N -0.13 0.00 0.55 4.88 5.09 -1.41 -2.71 116.57 122.84 2jxl h LYS 6 Ca -0.30 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.42 2jxl h LYS 6 Cb 1.90 0.00 0.01 0.00 0.10 0.00 0.00 32.23 34.23 2jxl h LYS 6 CO 0.13 0.23 -0.27 0.00 -2.09 0.00 0.00 179.45 177.45 2jxl h ALA 7 N 1.77 -0.74 -0.45 0.07 0.00 -1.20 -0.61 119.26 118.09 2jxl h ALA 7 Ca -0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jxl h ALA 7 Cb 0.49 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2jxl h ALA 7 CO 0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 179.25 178.50 2jxl h ALA 8 N -1.10 0.34 -0.42 0.00 0.00 -1.58 -0.22 119.26 116.28 2jxl h ALA 8 Ca -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 8 Cb 0.60 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jxl h ALA 8 CO 0.12 -0.43 0.10 -0.24 0.00 0.00 0.00 179.25 178.80 2jxl h VAL 9 N 0.04 1.19 0.00 0.00 3.04 -1.55 -1.56 116.25 117.40 2jxl h VAL 9 Ca 0.22 -0.69 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jxl h VAL 9 Cb 0.33 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2jxl h VAL 9 CO -0.43 0.25 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.04 2jxl h GLU 10 N 0.62 0.00 -0.03 4.17 4.39 0.58 -1.39 114.58 122.91 2jxl h GLU 10 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2jxl h GLU 10 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2jxl h GLU 10 CO -0.00 0.02 0.00 1.04 -1.16 0.00 0.00 179.01 178.90 2jxl n GLN 11 N -3.13 1.64 -1.05 2.33 6.02 -0.59 -4.92 117.38 117.67 2jxl n GLN 11 Ca -0.01 -0.94 -0.29 0.00 -0.01 0.00 0.00 57.00 55.76 2jxl n GLN 11 Cb 0.24 -1.47 0.21 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.95 1.16 0.51 1.08 1.43 -0.53 -5.04 118.68 115.34 2jxl s LEU 12 Ca 0.38 1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 54.48 2jxl s LEU 12 Cb 0.21 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 2jxl s LEU 12 CO 0.33 -3.60 0.81 0.42 0.23 0.00 0.00 176.35 174.54 2jxl s THR 13 N -2.90 4.58 0.32 5.49 -4.23 -1.26 -4.91 115.64 112.73 2jxl s THR 13 Ca 0.67 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2jxl s THR 13 Cb -0.17 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 70.11 2jxl s THR 13 CO 0.58 -0.75 1.91 -0.33 -0.54 0.00 0.00 174.62 175.49 2jxl h GLU 14 N 0.12 0.78 -0.04 3.99 5.08 -1.98 -0.77 114.58 121.76 2jxl h GLU 14 Ca -0.46 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2jxl h GLU 14 Cb 1.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jxl h GLU 14 CO 0.61 0.64 -0.00 0.93 -1.00 0.00 0.00 179.01 180.19 2jxl h GLU 15 N 0.77 0.07 0.53 2.33 4.39 -1.99 -2.01 114.58 118.67 2jxl h GLU 15 Ca 0.19 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 2jxl h GLU 15 Cb 0.15 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2jxl h GLU 15 CO -0.02 0.38 -0.25 1.96 -1.16 0.00 0.00 179.01 179.92 2jxl h GLN 16 N -0.25 -0.68 -0.73 2.33 1.08 -1.91 -2.51 115.11 112.44 2jxl h GLN 16 Ca 0.01 0.05 0.20 0.00 -1.45 0.00 0.00 58.65 57.46 2jxl h GLN 16 Cb 0.35 0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 2jxl h GLN 16 CO 0.00 -0.42 0.52 -0.22 -0.95 0.00 0.00 178.83 177.76 2jxl h LYS 17 N -0.79 0.06 -0.18 1.46 1.63 -1.21 0.25 116.57 117.79 2jxl h LYS 17 Ca -0.07 -0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.63 2jxl h LYS 17 Cb 0.58 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2jxl h LYS 17 CO 0.12 0.04 -0.29 -0.91 -3.45 0.00 0.00 179.45 174.96 2jxl h ASN 18 N 0.06 0.35 -0.12 4.20 2.35 -0.93 -3.03 115.58 118.47 2jxl h ASN 18 Ca 0.35 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 2jxl h ASN 18 Cb 1.30 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 39.57 2jxl h ASN 18 CO -0.03 0.64 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.00 2jxl h GLU 19 N 0.31 0.26 -0.61 0.81 5.08 -0.23 -1.71 114.58 118.48 2jxl h GLU 19 Ca 0.04 -0.11 0.16 0.00 -1.00 0.00 0.00 59.36 58.45 2jxl h GLU 19 Cb 0.67 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2jxl h GLU 19 CO 0.05 0.59 0.43 0.74 -1.00 0.00 0.00 179.01 179.82 2jxl h PHE 20 N -0.09 0.15 0.13 4.33 0.04 -1.42 0.22 116.94 120.30 2jxl h PHE 20 Ca 0.03 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.52 2jxl h PHE 20 Cb 0.52 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2jxl h PHE 20 CO 0.07 0.06 -1.32 -0.22 -0.60 0.00 0.00 178.31 176.29 2jxl h LYS 21 N 0.13 0.27 0.40 1.51 3.11 -1.40 -2.94 116.57 117.65 2jxl h LYS 21 Ca 0.30 -0.47 -0.02 0.00 -2.81 0.00 0.00 60.65 57.65 2jxl h LYS 21 Cb 0.99 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2jxl h LYS 21 CO -0.04 1.20 -0.19 0.00 -2.81 0.00 0.00 179.45 177.61 2jxl h ALA 22 N 0.55 -0.53 -0.47 5.00 0.00 -0.07 -2.82 119.26 120.92 2jxl h ALA 22 Ca -0.16 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.73 2jxl h ALA 22 Cb 1.99 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.96 2jxl h ALA 22 CO 0.20 -0.51 0.33 0.00 0.00 0.00 0.00 179.25 179.27 2jxl h ALA 23 N -1.05 2.30 0.00 0.00 0.00 -0.83 0.11 119.26 119.79 2jxl h ALA 23 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2jxl h ALA 23 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2jxl h ALA 23 CO 0.09 -0.43 -0.44 0.35 0.00 0.00 0.00 179.25 178.82 2jxl h PHE 24 N 0.10 0.00 -0.69 0.00 3.57 -1.55 -2.96 116.94 115.42 2jxl h PHE 24 Ca 0.22 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2jxl h PHE 24 Cb 0.75 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 2jxl h PHE 24 CO -0.00 0.44 0.28 0.22 -2.23 0.00 0.00 178.31 177.02 2jxl h ASP 25 N 0.00 0.93 -0.41 0.41 1.82 -0.50 -2.35 116.42 116.31 2jxl h ASP 25 Ca -0.00 -0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 56.41 2jxl h ASP 25 Cb 0.84 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 2jxl h ASP 25 CO 0.06 0.83 -0.08 0.40 -1.61 0.00 0.00 179.24 178.83 2jxl h ILE 26 N 1.00 1.26 0.27 2.25 5.03 -1.51 0.28 117.51 126.08 2jxl h ILE 26 Ca 0.23 -1.16 -0.01 0.00 -0.12 0.00 0.00 64.86 63.80 2jxl h ILE 26 Cb 0.18 0.97 0.00 0.00 -3.03 0.00 0.00 36.82 34.95 2jxl h ILE 26 CO -0.02 0.40 -0.13 -0.26 -0.68 0.00 0.00 178.15 177.46 2jxl h PHE 27 N 0.78 -0.34 -0.09 1.37 -1.00 -1.45 -2.68 116.94 113.53 2jxl h PHE 27 Ca 0.13 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.91 2jxl h PHE 27 Cb 0.58 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.25 2jxl h PHE 27 CO 0.03 -0.11 0.00 1.33 -1.61 0.00 0.00 178.31 177.96 2jxl n VAL 28 N -5.18 0.12 0.31 -0.55 0.24 -0.92 -3.84 118.33 108.51 2jxl n VAL 28 Ca -0.10 -0.18 0.20 0.00 -2.04 0.00 0.00 64.34 62.22 2jxl n VAL 28 Cb 0.21 0.06 1.03 0.00 -1.47 0.00 0.00 33.84 33.66 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 1.12 0.00 0.00 1.34 8.10 -0.07 -2.08 115.31 123.72 2jxl h LEU 29 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 2jxl h LEU 29 Cb 0.25 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 2jxl h LEU 29 CO 0.00 0.01 -1.54 1.23 -4.11 0.00 0.00 178.44 174.03 2jxl h GLY 30 N 0.63 0.00 -0.77 0.17 0.00 -1.74 -3.47 103.07 97.89 2jxl h GLY 30 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2jxl h GLY 30 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 176.54 176.74 2jxl n ALA 31 N -2.48 -2.35 -0.08 3.60 0.00 -0.78 -5.04 120.51 113.36 2jxl n ALA 31 Ca -0.13 -1.45 -0.18 0.00 0.00 0.00 0.00 53.44 51.69 2jxl n ALA 31 Cb 0.97 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2jxl n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jxl n GLU 32 N -4.04 0.37 0.08 0.00 -0.58 -1.26 -4.66 120.64 110.55 2jxl n GLU 32 Ca 0.14 0.16 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 2jxl n GLU 32 Cb 0.51 -1.12 0.01 0.00 -0.57 0.00 0.00 31.44 30.26 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2jxl h ASP 33 N -0.63 0.29 0.00 1.62 3.32 -1.96 -3.48 116.42 115.57 2jxl h ASP 33 Ca -0.41 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.42 2jxl h ASP 33 Cb 1.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2jxl h ASP 33 CO -0.25 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 2jxl n GLY 34 N 0.77 0.70 3.41 2.75 0.00 -1.26 -5.15 105.19 106.41 2jxl n GLY 34 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.58 0.67 0.18 0.00 1.01 -0.86 -4.71 121.20 113.91 2jxl s ILE 36 Ca 0.32 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2jxl s ILE 36 Cb 0.02 -0.96 -0.07 0.00 0.01 0.00 0.00 42.46 41.45 2jxl s ILE 36 CO 0.17 0.05 0.62 -0.94 0.00 0.00 0.00 174.94 174.83 2jxl s SER 37 N 1.82 6.90 0.55 3.58 1.04 -1.26 -1.23 113.70 125.09 2jxl s SER 37 Ca 0.02 1.19 0.32 0.00 0.48 0.00 0.00 55.95 57.96 2jxl s SER 37 Cb -0.15 -2.33 1.48 0.00 0.10 0.00 0.00 66.02 65.12 2jxl s SER 37 CO -0.07 0.06 1.86 0.00 0.98 0.00 0.00 173.24 176.07 2jxl h THR 38 N 2.73 0.48 -0.19 2.02 1.03 -1.96 0.44 112.91 117.46 2jxl h THR 38 Ca -0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.88 2jxl h THR 38 Cb 1.19 0.52 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 2jxl h THR 38 CO 0.66 0.00 -0.04 0.07 -0.01 0.00 0.00 175.52 176.19 2jxl h LYS 39 N 0.00 0.36 0.00 0.00 2.10 -1.92 -2.18 116.57 114.93 2jxl h LYS 39 Ca 0.41 -0.14 -0.19 0.00 -2.00 0.00 0.00 60.65 58.74 2jxl h LYS 39 Cb 1.74 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 33.02 2jxl h LYS 39 CO -0.00 0.62 -0.89 0.93 -2.00 0.00 0.00 179.45 178.11 2jxl h GLU 40 N 0.08 0.00 0.11 0.07 4.39 -1.23 -3.32 114.58 114.67 2jxl h GLU 40 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2jxl h GLU 40 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2jxl h GLU 40 CO 0.02 0.89 -0.05 1.25 -1.16 0.00 0.00 179.01 179.95 2jxl h LEU 41 N 0.00 -0.12 -1.88 1.33 5.85 -0.22 -2.51 115.31 117.75 2jxl h LEU 41 Ca -0.01 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.76 2jxl h LEU 41 Cb 1.63 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 2jxl h LEU 41 CO 0.12 0.04 0.57 1.23 -0.34 0.00 0.00 178.44 180.06 2jxl h GLY 42 N -0.29 0.00 0.90 3.75 0.00 -1.49 0.72 103.07 106.66 2jxl h GLY 42 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 2jxl h GLY 42 CO 0.02 0.00 -0.26 0.50 0.00 0.00 0.00 176.54 176.80 2jxl h LYS 43 N 0.00 0.59 0.00 4.80 1.57 -1.57 -2.99 116.57 118.97 2jxl h LYS 43 Ca 0.28 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2jxl h LYS 43 Cb 1.42 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 2jxl h LYS 43 CO -0.00 0.92 -0.06 -0.24 -0.57 0.00 0.00 179.45 179.50 2jxl h VAL 44 N 0.29 0.73 -0.92 0.50 3.04 -0.81 -2.22 116.25 116.86 2jxl h VAL 44 Ca 0.03 -0.24 0.10 0.00 -1.01 0.00 0.00 66.70 65.58 2jxl h VAL 44 Cb 0.83 1.14 -0.07 0.00 -2.01 0.00 0.00 31.29 31.18 2jxl h VAL 44 CO 0.06 0.06 0.59 0.24 -1.01 0.00 0.00 177.57 177.52 2jxl h MET 45 N 0.00 0.89 -0.87 4.17 2.86 -1.35 -1.21 114.93 119.42 2jxl h MET 45 Ca -0.00 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2jxl h MET 45 Cb 0.14 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 2jxl h MET 45 CO 0.01 0.59 0.57 0.00 1.06 0.00 0.00 176.91 179.14 2jxl h ARG 46 N 0.92 1.12 -0.05 1.72 3.08 -0.63 -1.29 114.38 119.24 2jxl h ARG 46 Ca 0.43 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.34 2jxl h ARG 46 Cb 0.41 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2jxl h ARG 46 CO -0.19 0.74 -0.28 0.52 -1.07 0.00 0.00 179.97 179.68 2jxl h MET 47 N 1.15 0.09 0.00 0.04 2.86 -1.35 -2.18 114.93 115.53 2jxl h MET 47 Ca 0.33 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.90 2jxl h MET 47 Cb -0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2jxl h MET 47 CO -0.09 0.37 -0.19 -0.07 1.06 0.00 0.00 176.91 177.99 2jxl h LEU 48 N 0.08 0.00 0.00 1.22 3.38 -0.85 -3.46 115.31 115.68 2jxl h LEU 48 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2jxl h LEU 48 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2jxl h LEU 48 CO 0.04 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2jxl n GLY 49 N 0.27 1.38 3.19 0.83 0.00 -0.82 -5.11 105.19 104.93 2jxl n GLY 49 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.27 0.88 -0.39 1.61 -0.21 -0.59 -5.01 119.66 115.69 2jxl s GLN 50 Ca 0.00 -1.25 0.09 0.00 0.02 0.00 0.00 55.36 54.22 2jxl s GLN 50 Cb 0.00 -0.47 0.28 0.00 1.00 0.00 0.00 33.01 33.82 2jxl s GLN 50 CO 0.00 0.06 0.61 0.27 -2.12 0.00 0.00 175.29 174.11 2jxl n ASN 51 N 0.29 0.26 -2.73 5.90 0.23 -1.26 -1.56 115.26 116.40 2jxl n ASN 51 Ca -0.14 -2.83 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 2jxl n ASN 51 Cb 0.59 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 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 1.02 -0.58 -3.92 -0.53 -0.04 -1.26 -5.06 135.00 124.64 2jxl n PRO 52 Ca 0.22 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.43 2jxl n PRO 52 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 -0.78 5.30 -0.00 0.52 -1.32 -1.26 -5.04 115.64 113.05 2jxl s THR 53 Ca 0.00 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.53 2jxl s THR 53 Cb 0.00 -3.77 -0.18 0.00 -1.51 0.00 0.00 72.50 67.04 2jxl s THR 53 CO 0.00 -0.15 1.29 1.55 -2.21 0.00 0.00 174.62 175.10 2jxl h PRO 54 N 1.93 0.12 -0.81 7.08 0.13 -1.97 -3.07 132.00 135.41 2jxl h PRO 54 Ca -0.49 -0.06 0.23 0.00 -0.87 0.00 0.00 66.00 64.81 2jxl h PRO 54 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2jxl h PRO 54 CO 0.67 0.57 0.73 0.93 -0.23 0.00 0.00 178.00 180.67 2jxl h GLU 55 N -0.33 0.00 0.03 0.86 5.08 -1.98 0.66 114.58 118.90 2jxl h GLU 55 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2jxl h GLU 55 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2jxl h GLU 55 CO 0.01 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 178.94 2jxl h GLU 56 N 0.00 -0.03 0.22 2.33 3.07 -1.96 -2.49 114.58 115.71 2jxl h GLU 56 Ca 0.38 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.25 2jxl h GLU 56 Cb 1.83 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.72 2jxl h GLU 56 CO -0.00 0.51 -0.30 -0.07 -1.40 0.00 0.00 179.01 177.75 2jxl h LEU 57 N -0.60 -0.83 -2.30 1.33 3.38 -0.91 -1.02 115.31 114.35 2jxl h LEU 57 Ca -0.00 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2jxl h LEU 57 Cb 0.56 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 2jxl h LEU 57 CO 0.01 -0.41 0.14 -0.61 0.09 0.00 0.00 178.44 177.65 2jxl h GLN 58 N -0.58 0.00 0.49 1.13 5.75 -1.53 -1.68 115.11 118.69 2jxl h GLN 58 Ca 0.01 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2jxl h GLN 58 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 2jxl h GLN 58 CO -0.11 0.00 -0.23 1.49 -2.65 0.00 0.00 178.83 177.32 2jxl h GLU 59 N 0.00 -0.63 -0.20 1.69 4.57 -0.70 -0.33 114.58 118.98 2jxl h GLU 59 Ca 0.06 0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.14 2jxl h GLU 59 Cb 0.34 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2jxl h GLU 59 CO -0.00 -0.41 -0.47 0.52 -1.18 0.00 0.00 179.01 177.47 2jxl h MET 60 N -0.67 0.51 0.00 1.92 2.86 -1.26 -2.81 114.93 115.47 2jxl h MET 60 Ca -0.07 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 2jxl h MET 60 Cb 0.51 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2jxl h MET 60 CO 0.11 0.87 -0.09 0.82 1.06 0.00 0.00 176.91 179.68 2jxl h ILE 61 N 0.41 0.40 0.11 -1.22 2.04 -1.19 -2.17 117.51 115.89 2jxl h ILE 61 Ca 0.02 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2jxl h ILE 61 Cb 0.97 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2jxl h ILE 61 CO 0.09 0.09 -0.05 -0.78 0.00 0.00 0.00 178.15 177.49 2jxl h ASP 62 N 0.00 -0.13 1.02 1.72 3.58 -0.78 0.30 116.42 122.14 2jxl h ASP 62 Ca -0.00 -0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.16 2jxl h ASP 62 Cb 0.33 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jxl h ASP 62 CO 0.01 0.20 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.11 2jxl h GLU 63 N -0.47 0.00 0.00 0.28 5.08 -1.59 -3.24 114.58 114.64 2jxl h GLU 63 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2jxl h GLU 63 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jxl h GLU 63 CO 0.03 0.14 -0.11 0.28 -1.00 0.00 0.00 179.01 178.34 2jxl h VAL 64 N 0.00 1.33 -1.13 3.13 2.07 -1.26 -3.43 116.25 116.96 2jxl h VAL 64 Ca -0.00 -2.04 -0.30 0.00 0.82 0.00 0.00 66.70 65.19 2jxl h VAL 64 Cb 0.68 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2jxl h VAL 64 CO 0.02 0.45 0.93 -0.62 0.02 0.00 0.00 177.57 178.37 2jxl s ASP 65 N -6.12 4.52 0.50 0.57 -1.08 0.11 -4.76 116.67 110.40 2jxl s ASP 65 Ca -0.16 0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 2jxl s ASP 65 Cb -0.02 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.14 2jxl s ASP 65 CO 0.53 -3.09 1.95 -0.33 0.52 0.00 0.00 175.17 174.75 2jxl h GLU 66 N 15.22 0.00 -0.00 4.34 5.08 -1.83 -2.37 114.58 135.02 2jxl h GLU 66 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jxl h GLU 66 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2jxl h GLU 66 CO 1.13 0.13 -0.69 -0.40 -1.00 0.00 0.00 179.01 178.17 2jxl n ASP 67 N -3.33 1.19 -3.70 1.42 5.75 -1.26 -4.97 116.55 111.64 2jxl n ASP 67 Ca -0.00 -0.99 -0.26 0.00 -0.01 0.00 0.00 54.79 53.53 2jxl n ASP 67 Cb 0.34 0.64 0.06 0.00 -1.03 0.00 0.00 41.12 41.12 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jxl n GLY 68 N 1.46 -0.51 0.10 6.12 0.00 -0.89 -4.89 105.19 106.58 2jxl n GLY 68 Ca 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.41 0.00 0.00 1.61 4.64 -1.94 -3.47 113.55 111.98 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 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.59 0.81 0.00 0.61 -0.87 0.00 0.00 176.83 177.97 2jxl n GLY 70 N 0.90 1.05 3.28 -0.77 0.00 -1.26 -5.09 105.19 103.30 2jxl n GLY 70 Ca -0.00 0.00 -0.10 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 0.10 -0.22 2.61 -4.23 -1.26 -4.26 115.64 106.37 2jxl s THR 71 Ca 0.00 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 2jxl s THR 71 Cb 0.00 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.51 2jxl s THR 71 CO 0.00 -0.44 0.20 -0.69 -0.54 0.00 0.00 174.62 173.15 2jxl s VAL 72 N -3.84 5.34 0.41 2.29 1.01 -0.37 -4.87 120.40 120.38 2jxl s VAL 72 Ca 0.05 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.36 2jxl s VAL 72 Cb 0.03 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.95 2jxl s VAL 72 CO -0.11 0.35 0.57 0.47 0.00 0.00 0.00 175.10 176.38 2jxl n ASP 73 N 4.16 1.34 -0.12 3.32 9.92 -1.26 -2.03 116.55 131.89 2jxl n ASP 73 Ca -0.14 -2.00 0.02 0.00 -0.53 0.00 0.00 54.79 52.14 2jxl n ASP 73 Cb 0.52 -0.31 0.33 0.00 -0.64 0.00 0.00 41.12 41.01 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2jxl h PHE 74 N -0.03 0.75 0.63 1.24 3.57 -1.98 0.33 116.94 121.44 2jxl h PHE 74 Ca -0.19 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 2jxl h PHE 74 Cb 0.84 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 39.34 2jxl h PHE 74 CO 0.00 0.47 -0.30 0.22 -2.23 0.00 0.00 178.31 176.47 2jxl h ASP 75 N 0.80 -0.72 -0.42 0.41 1.82 -1.99 -2.46 116.42 113.87 2jxl h ASP 75 Ca 0.22 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.89 2jxl h ASP 75 Cb -0.09 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2jxl h ASP 75 CO -0.05 -0.32 0.27 -0.33 -1.61 0.00 0.00 179.24 177.20 2jxl h GLU 76 N -1.22 0.53 -0.78 0.28 5.08 -1.92 -1.64 114.58 114.91 2jxl h GLU 76 Ca -0.09 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2jxl h GLU 76 Cb 0.65 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2jxl h GLU 76 CO 0.14 0.35 0.34 2.35 -1.00 0.00 0.00 179.01 181.19 2jxl h TRP 77 N 0.54 0.58 -0.38 4.33 7.01 -0.41 0.16 115.95 127.78 2jxl h TRP 77 Ca 0.16 0.04 -0.11 0.00 2.11 0.00 0.00 58.89 61.09 2jxl h TRP 77 Cb -0.04 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 2jxl h TRP 77 CO -0.06 0.08 -0.17 1.25 -2.79 0.00 0.00 178.44 176.75 2jxl h LEU 78 N 0.48 0.82 -1.27 0.65 6.46 -0.98 -3.02 115.31 118.45 2jxl h LEU 78 Ca 0.43 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 2jxl h LEU 78 Cb 0.66 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 2jxl h LEU 78 CO -0.40 1.04 0.13 0.58 -0.62 0.00 0.00 178.44 179.17 2jxl h VAL 79 N 0.60 1.18 -0.19 1.05 2.07 -0.22 -2.81 116.25 117.93 2jxl h VAL 79 Ca 0.09 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2jxl h VAL 79 Cb 0.72 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 2jxl h VAL 79 CO 0.05 0.23 -0.30 0.24 0.02 0.00 0.00 177.57 177.81 2jxl h MET 80 N 0.63 -0.33 -0.83 1.57 2.86 -0.61 -1.33 114.93 116.89 2jxl h MET 80 Ca 0.15 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2jxl h MET 80 Cb 0.19 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 2jxl h MET 80 CO -0.01 -0.22 0.43 1.98 1.06 0.00 0.00 176.91 180.15 2jxl h MET 81 N -0.34 1.17 -0.27 1.72 -1.53 -1.57 -1.79 114.93 112.30 2jxl h MET 81 Ca 0.11 -0.15 0.08 0.00 -3.44 0.00 0.00 59.70 56.30 2jxl h MET 81 Cb 0.52 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2jxl h MET 81 CO -0.38 0.87 0.30 0.00 0.14 0.00 0.00 176.91 177.84 2jxl h ALA 82 N 1.30 1.94 0.00 0.39 0.00 -1.01 0.16 119.26 122.04 2jxl h ALA 82 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2jxl h ALA 82 Cb 0.07 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jxl h ALA 82 CO -0.04 -0.44 -0.08 0.00 0.00 0.00 0.00 179.25 178.69 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 3.08 -0.71 -0.90 114.38 115.85 2jxl h ARG 83 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2jxl h ARG 83 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2jxl h ARG 83 CO -0.00 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 2jxl h MET 85 N 0.00 0.00 0.00 0.00 2.86 -1.29 -2.85 114.93 113.65 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 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2jxl h MET 85 CO 0.00 0.42 0.00 1.17 1.06 0.00 0.00 176.91 179.56 2jxl n LYS 86 N -3.43 0.10 -2.31 1.72 3.00 -0.97 -4.56 118.16 111.71 2jxl n LYS 86 Ca 0.00 0.16 -0.36 0.00 -0.00 0.00 0.00 58.31 58.12 2jxl n LYS 86 Cb 0.58 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jxl s ASP 87 N -2.83 5.82 -0.05 3.14 1.01 -1.08 -4.92 116.67 117.75 2jxl s ASP 87 Ca 0.12 -0.81 -0.05 0.00 0.71 0.00 0.00 52.55 52.52 2jxl s ASP 87 Cb 0.12 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2jxl s ASP 87 CO 0.31 -2.10 0.14 -0.62 0.21 0.00 0.00 175.17 173.11 2jxl s ASP 88 N 6.29 -0.14 0.00 0.27 2.15 -1.26 -5.11 116.67 118.86 2jxl s ASP 88 Ca 0.56 0.28 0.31 0.00 0.43 0.00 0.00 52.55 54.12 2jxl s ASP 88 Cb -0.05 0.27 1.62 0.00 -0.30 0.00 0.00 42.92 44.46 2jxl s ASP 88 CO 0.01 -0.06 2.07 -0.24 -0.17 0.00 0.00 175.17 176.78