#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 6.68 0.39 7.83 1.01 -1.26 -4.91 116.67 126.42 2jxl s ASP 2 Ca 0.00 0.59 0.20 0.00 0.71 0.00 0.00 52.55 54.06 2jxl s ASP 2 Cb 0.00 -2.46 0.74 0.00 1.01 0.00 0.00 42.92 42.21 2jxl s ASP 2 CO 0.00 -0.85 1.76 0.44 0.21 0.00 0.00 175.17 176.73 2jxl h ASP 3 N 8.45 0.00 0.30 0.27 5.19 -2.04 -2.23 116.42 126.36 2jxl h ASP 3 Ca -0.23 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.07 2jxl h ASP 3 Cb 1.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 2jxl h ASP 3 CO 0.98 0.33 -0.43 -0.29 -3.12 0.00 0.00 179.24 176.71 2jxl h ILE 4 N 0.00 1.32 0.13 0.35 2.10 -1.99 -0.41 117.51 119.01 2jxl h ILE 4 Ca -0.00 -1.55 -0.26 0.00 1.08 0.00 0.00 64.86 64.12 2jxl h ILE 4 Cb 0.86 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 2jxl h ILE 4 CO 0.04 0.46 -1.32 1.88 -1.08 0.00 0.00 178.15 178.13 2jxl h TYR 5 N 0.15 0.49 -0.16 2.19 0.05 -1.92 -3.19 116.97 114.58 2jxl h TYR 5 Ca 0.01 -0.36 -0.07 0.00 0.05 0.00 0.00 58.73 58.36 2jxl h TYR 5 Cb 0.83 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 2jxl h TYR 5 CO 0.01 1.51 -0.21 1.57 -1.05 0.00 0.00 178.16 180.00 2jxl h LYS 6 N -0.28 0.28 -0.14 4.88 5.09 -1.42 -2.48 116.57 122.50 2jxl h LYS 6 Ca -0.27 -0.09 -0.13 0.00 0.09 0.00 0.00 60.65 60.25 2jxl h LYS 6 Cb 1.77 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 34.06 2jxl h LYS 6 CO 0.09 0.49 -0.47 0.00 -2.09 0.00 0.00 179.45 177.47 2jxl h ALA 7 N 1.53 0.94 -0.09 0.07 0.00 -1.19 -2.27 119.26 118.24 2jxl h ALA 7 Ca 0.05 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2jxl h ALA 7 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jxl h ALA 7 CO 0.03 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 2jxl h ALA 8 N 1.22 0.13 -0.19 0.00 0.00 -1.45 -3.10 119.26 115.87 2jxl h ALA 8 Ca 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2jxl h ALA 8 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jxl h ALA 8 CO 0.08 -0.06 -0.06 -0.39 0.00 0.00 0.00 179.25 178.82 2jxl h VAL 9 N -0.20 1.15 0.00 0.00 -1.51 -1.46 -1.60 116.25 112.63 2jxl h VAL 9 Ca 0.02 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 2jxl h VAL 9 Cb 0.57 1.08 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 2jxl h VAL 9 CO 0.02 0.21 -0.07 -0.33 -1.23 0.00 0.00 177.57 176.17 2jxl h GLU 10 N 0.27 0.00 -0.19 5.19 5.08 -1.35 -0.99 114.58 122.60 2jxl h GLU 10 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2jxl h GLU 10 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2jxl h GLU 10 CO 0.01 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 2jxl n GLN 11 N -3.36 1.75 -1.07 2.33 6.02 -0.60 -4.93 117.38 117.52 2jxl n GLN 11 Ca -0.01 -1.14 -0.28 0.00 -0.01 0.00 0.00 57.00 55.56 2jxl n GLN 11 Cb 0.23 -1.38 0.19 0.00 1.02 0.00 0.00 30.24 30.30 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 -1.50 1.37 0.40 1.08 1.43 -0.38 -5.03 118.68 116.06 2jxl s LEU 12 Ca 0.31 1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 2jxl s LEU 12 Cb 0.17 -3.29 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 2jxl s LEU 12 CO 0.25 -3.39 0.79 -0.89 0.23 0.00 0.00 176.35 173.34 2jxl s THR 13 N -2.90 4.74 0.23 5.49 2.01 -1.26 -4.90 115.64 119.05 2jxl s THR 13 Ca 0.66 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 63.35 2jxl s THR 13 Cb -0.19 -3.71 0.21 0.00 0.01 0.00 0.00 72.50 68.82 2jxl s THR 13 CO 0.59 -0.47 1.70 -0.33 -0.69 0.00 0.00 174.62 175.41 2jxl h GLU 14 N 1.42 0.29 -0.30 4.92 4.39 -1.99 0.66 114.58 123.97 2jxl h GLU 14 Ca -0.47 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 2jxl h GLU 14 Cb 1.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2jxl h GLU 14 CO 0.64 0.19 -0.30 1.05 -1.16 0.00 0.00 179.01 179.42 2jxl h GLU 15 N 0.29 0.62 0.19 2.33 4.11 -1.99 -2.99 114.58 117.15 2jxl h GLU 15 Ca 0.39 -0.27 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2jxl h GLU 15 Cb 0.63 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2jxl h GLU 15 CO -0.47 0.85 -0.11 1.96 0.07 0.00 0.00 179.01 181.32 2jxl h GLN 16 N 0.53 -0.28 -0.85 1.06 1.08 -1.30 -1.20 115.11 114.15 2jxl h GLN 16 Ca 0.06 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.40 2jxl h GLN 16 Cb 0.79 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 2jxl h GLN 16 CO 0.06 -0.19 0.55 0.87 -0.95 0.00 0.00 178.83 179.18 2jxl h LYS 17 N -0.29 0.72 0.00 1.46 1.79 -1.17 0.14 116.57 119.22 2jxl h LYS 17 Ca -0.02 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2jxl h LYS 17 Cb 0.23 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2jxl h LYS 17 CO 0.03 0.48 -0.31 -0.91 -1.08 0.00 0.00 179.45 177.65 2jxl h ASN 18 N 0.74 0.00 0.64 0.86 2.35 -1.29 -1.75 115.58 117.13 2jxl h ASN 18 Ca 0.41 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.13 2jxl h ASN 18 Cb 0.55 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.93 2jxl h ASN 18 CO -0.17 0.31 -0.31 -0.33 -1.65 0.00 0.00 177.43 175.28 2jxl h GLU 19 N 0.00 -0.82 -0.19 0.81 5.08 0.49 -2.14 114.58 117.80 2jxl h GLU 19 Ca -0.00 0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2jxl h GLU 19 Cb 0.83 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2jxl h GLU 19 CO 0.04 -0.53 -0.21 0.27 -1.00 0.00 0.00 179.01 177.58 2jxl h PHE 20 N -1.19 0.36 -0.63 4.33 -5.15 -1.55 -2.86 116.94 110.25 2jxl h PHE 20 Ca -0.09 -0.06 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 2jxl h PHE 20 Cb 0.67 -0.10 -0.03 0.00 0.22 0.00 0.00 35.95 36.72 2jxl h PHE 20 CO 0.00 0.53 0.41 -0.22 -2.00 0.00 0.00 178.31 177.03 2jxl h LYS 21 N 0.31 0.85 -0.81 6.09 3.11 -1.33 -2.46 116.57 122.31 2jxl h LYS 21 Ca 0.05 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 2jxl h LYS 21 Cb 0.55 -0.19 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 2jxl h LYS 21 CO 0.04 0.58 0.36 0.00 -2.81 0.00 0.00 179.45 177.62 2jxl h ALA 22 N 1.22 1.05 0.00 5.00 0.00 -1.16 -2.17 119.26 123.19 2jxl h ALA 22 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 22 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2jxl h ALA 22 CO -0.05 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.78 2jxl h ALA 23 N 1.19 1.79 -0.38 0.00 0.00 -1.32 -1.80 119.26 118.74 2jxl h ALA 23 Ca 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2jxl h ALA 23 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2jxl h ALA 23 CO -0.03 0.08 0.10 0.35 0.00 0.00 0.00 179.25 179.75 2jxl h PHE 24 N 0.00 0.56 -0.22 0.00 3.57 -0.99 -1.48 116.94 118.38 2jxl h PHE 24 Ca -0.00 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.43 2jxl h PHE 24 Cb 0.12 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2jxl h PHE 24 CO 0.00 0.48 -0.02 0.22 -2.23 0.00 0.00 178.31 176.76 2jxl h ASP 25 N 0.55 0.40 0.34 0.41 1.82 -1.36 -0.17 116.42 118.41 2jxl h ASP 25 Ca 0.13 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.38 2jxl h ASP 25 Cb 0.20 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2jxl h ASP 25 CO -0.01 0.63 -0.29 0.40 -1.61 0.00 0.00 179.24 178.36 2jxl h ILE 26 N 0.16 1.13 0.08 2.25 5.03 -1.48 -1.40 117.51 123.28 2jxl h ILE 26 Ca 0.06 -1.03 -0.29 0.00 -0.12 0.00 0.00 64.86 63.48 2jxl h ILE 26 Cb 0.44 1.57 0.03 0.00 -3.03 0.00 0.00 36.82 35.82 2jxl h ILE 26 CO 0.01 0.29 -1.17 -0.26 -0.68 0.00 0.00 178.15 176.34 2jxl h PHE 27 N 0.00 1.03 -0.11 1.37 -1.00 -1.08 -3.17 116.94 113.98 2jxl h PHE 27 Ca -0.00 -0.62 0.00 0.00 2.81 0.00 0.00 57.97 60.16 2jxl h PHE 27 Cb 0.55 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.01 2jxl h PHE 27 CO 0.00 1.45 0.00 1.33 -1.61 0.00 0.00 178.31 179.48 2jxl n VAL 28 N -3.82 0.14 0.05 -0.55 0.24 -0.09 -4.04 118.33 110.26 2jxl n VAL 28 Ca -0.13 -0.19 0.21 0.00 -2.04 0.00 0.00 64.34 62.19 2jxl n VAL 28 Cb 0.95 0.06 0.74 0.00 -1.47 0.00 0.00 33.84 34.12 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 1.09 0.00 -3.87 1.34 3.38 -1.23 0.30 115.31 116.31 2jxl h LEU 29 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2jxl h LEU 29 Cb 0.24 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.73 2jxl h LEU 29 CO 0.00 0.00 0.74 0.61 0.09 0.00 0.00 178.44 179.88 2jxl n GLY 30 N -1.54 5.23 3.15 0.83 0.00 -1.26 -4.76 105.19 106.84 2jxl n GLY 30 Ca 0.09 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.33 -2.78 0.57 4.61 0.00 0.09 -4.95 121.76 115.98 2jxl s ALA 31 Ca 0.57 1.38 0.27 0.00 0.00 0.00 0.00 51.96 54.18 2jxl s ALA 31 Cb 0.45 -2.48 1.55 0.00 0.00 0.00 0.00 23.12 22.64 2jxl s ALA 31 CO 0.02 -1.68 2.07 0.93 0.00 0.00 0.00 175.76 177.09 2jxl h GLU 32 N 7.87 0.00 0.00 0.00 4.39 -1.86 0.23 114.58 125.21 2jxl h GLU 32 Ca -0.10 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2jxl h GLU 32 Cb 1.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 2jxl h GLU 32 CO 0.11 0.00 -0.28 -0.44 -1.16 0.00 0.00 179.01 177.24 2jxl h ASP 33 N 0.00 0.00 -0.72 1.42 5.19 -1.95 -3.47 116.42 116.89 2jxl h ASP 33 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2jxl h ASP 33 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2jxl h ASP 33 CO -0.00 0.28 0.00 0.61 -3.12 0.00 0.00 179.24 177.01 2jxl n GLY 34 N 0.20 0.53 3.28 2.75 0.00 0.80 -5.12 105.19 107.64 2jxl n GLY 34 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 1.18 0.29 0.00 1.01 -1.23 -4.35 121.20 114.38 2jxl s ILE 36 Ca 0.39 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 2jxl s ILE 36 Cb 0.04 -1.45 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 2jxl s ILE 36 CO 0.20 -0.02 0.63 -0.55 0.00 0.00 0.00 174.94 175.20 2jxl s SER 37 N 1.58 6.59 0.60 3.58 0.15 -1.26 -2.95 113.70 121.98 2jxl s SER 37 Ca -0.02 0.98 0.29 0.00 0.70 0.00 0.00 55.95 57.90 2jxl s SER 37 Cb -0.17 -2.25 1.59 0.00 -1.71 0.00 0.00 66.02 63.48 2jxl s SER 37 CO -0.07 -0.19 2.01 0.00 1.20 0.00 0.00 173.24 176.19 2jxl h THR 38 N 1.66 0.39 0.29 6.45 1.03 -1.93 0.27 112.91 121.06 2jxl h THR 38 Ca -0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.18 0.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.00 2jxl h THR 38 CO 0.67 0.00 -0.14 0.50 -0.01 0.00 0.00 175.52 176.54 2jxl h LYS 39 N 0.00 -0.37 0.05 0.00 1.63 -1.95 -2.76 116.57 113.17 2jxl h LYS 39 Ca 0.13 0.03 -0.26 0.00 -0.85 0.00 0.00 60.65 59.70 2jxl h LYS 39 Cb 0.77 0.08 0.01 0.00 -0.60 0.00 0.00 32.23 32.49 2jxl h LYS 39 CO -0.00 -0.09 -1.08 0.93 -3.45 0.00 0.00 179.45 175.75 2jxl h GLU 40 N -0.63 0.50 -0.83 1.90 5.08 -1.72 -3.22 114.58 115.66 2jxl h GLU 40 Ca -0.04 -0.60 0.22 0.00 -1.00 0.00 0.00 59.36 57.93 2jxl h GLU 40 Cb 0.45 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2jxl h GLU 40 CO 0.06 1.23 0.58 1.25 -1.00 0.00 0.00 179.01 181.13 2jxl h LEU 41 N 0.25 0.16 -1.05 1.33 5.85 -0.55 0.23 115.31 121.53 2jxl h LEU 41 Ca -0.12 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.51 2jxl h LEU 41 Cb 1.74 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.74 2jxl h LEU 41 CO 0.20 0.07 -0.42 1.23 -0.34 0.00 0.00 178.44 179.17 2jxl h GLY 42 N 0.16 0.12 0.65 3.75 0.00 -1.50 -2.97 103.07 103.30 2jxl h GLY 42 Ca 0.41 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 2jxl h GLY 42 CO -0.07 0.10 -0.10 0.50 0.00 0.00 0.00 176.54 176.97 2jxl h LYS 43 N 0.09 0.23 -0.23 4.80 1.57 -0.67 -3.07 116.57 119.29 2jxl h LYS 43 Ca 0.01 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2jxl h LYS 43 Cb 0.78 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2jxl h LYS 43 CO 0.06 0.66 0.17 0.28 -0.57 0.00 0.00 179.45 180.05 2jxl h VAL 44 N -0.19 0.85 -0.75 0.50 2.07 -1.47 -1.08 116.25 116.18 2jxl h VAL 44 Ca 0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.75 2jxl h VAL 44 Cb 0.62 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2jxl h VAL 44 CO 0.02 0.00 0.57 0.24 0.02 0.00 0.00 177.57 178.43 2jxl h MET 45 N 0.00 0.00 -0.33 1.57 2.86 -1.41 0.25 114.93 117.87 2jxl h MET 45 Ca 0.11 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2jxl h MET 45 Cb 0.46 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 2jxl h MET 45 CO -0.00 0.00 0.22 0.07 1.06 0.00 0.00 176.91 178.26 2jxl h ARG 46 N 0.00 0.36 -0.47 1.72 0.11 -1.25 -1.53 114.38 113.32 2jxl h ARG 46 Ca 0.36 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.32 2jxl h ARG 46 Cb 1.50 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.48 2jxl h ARG 46 CO -0.00 0.24 -0.08 0.52 0.10 0.00 0.00 179.97 180.75 2jxl h MET 47 N 0.37 0.84 0.00 0.08 2.86 -0.67 -2.51 114.93 115.89 2jxl h MET 47 Ca 0.13 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 2jxl h MET 47 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2jxl h MET 47 CO -0.03 0.89 -0.21 -0.07 1.06 0.00 0.00 176.91 178.55 2jxl h LEU 48 N 0.76 0.00 0.00 1.22 4.07 -1.34 -3.46 115.31 116.55 2jxl h LEU 48 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2jxl h LEU 48 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 2jxl h LEU 48 CO 0.03 0.21 0.00 0.61 -1.08 0.00 0.00 178.44 178.22 2jxl n GLY 49 N -0.17 1.09 3.27 0.83 0.00 -0.94 -5.10 105.19 104.16 2jxl n GLY 49 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 1.10 -0.41 1.61 -0.21 -1.12 -5.04 119.66 115.41 2jxl s GLN 50 Ca 0.00 -1.33 0.08 0.00 0.02 0.00 0.00 55.36 54.12 2jxl s GLN 50 Cb 0.00 -0.95 0.25 0.00 1.00 0.00 0.00 33.01 33.31 2jxl s GLN 50 CO 0.00 0.17 0.53 -1.71 -2.12 0.00 0.00 175.29 172.16 2jxl n ASN 51 N 0.29 0.38 -4.76 5.90 2.85 -1.26 -3.60 115.26 115.06 2jxl n ASN 51 Ca -0.13 -2.73 -0.31 0.00 -0.11 0.00 0.00 54.58 51.30 2jxl n ASN 51 Cb 0.58 -0.64 0.10 0.00 1.24 0.00 0.00 39.78 41.06 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2jxl s PRO 52 N -1.22 2.05 0.93 1.20 0.04 -1.26 -5.00 135.00 131.75 2jxl s PRO 52 Ca 0.35 1.10 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2jxl s PRO 52 Cb 0.16 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.91 2jxl s PRO 52 CO -0.11 -1.77 0.76 0.25 0.04 0.00 0.00 177.00 176.18 2jxl n THR 53 N -3.60 0.07 -0.03 1.26 -2.24 -1.26 -4.90 114.28 103.58 2jxl n THR 53 Ca 0.09 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2jxl n THR 53 Cb 0.53 -0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.69 0.14 0.00 -0.78 0.13 -1.99 -3.05 132.00 124.77 2jxl h PRO 54 Ca -0.43 -0.08 -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 32.40 2jxl h PRO 54 CO 0.38 0.59 -0.19 0.93 -0.23 0.00 0.00 178.00 179.48 2jxl h GLU 55 N -0.30 0.00 -0.35 0.86 5.08 -1.99 -2.34 114.58 115.55 2jxl h GLU 55 Ca 0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2jxl h GLU 55 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jxl h GLU 55 CO 0.01 0.19 -0.14 1.49 -1.00 0.00 0.00 179.01 179.56 2jxl h GLU 56 N 0.00 0.62 -0.09 2.33 4.81 -1.91 -2.83 114.58 117.51 2jxl h GLU 56 Ca -0.00 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2jxl h GLU 56 Cb 0.35 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2jxl h GLU 56 CO 0.02 0.74 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.65 2jxl h LEU 57 N 0.56 -1.00 -1.91 1.64 3.38 -1.31 0.20 115.31 116.88 2jxl h LEU 57 Ca 0.10 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2jxl h LEU 57 Cb 0.57 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2jxl h LEU 57 CO 0.04 -0.37 -0.11 -0.61 0.09 0.00 0.00 178.44 177.47 2jxl h GLN 58 N -0.42 0.00 0.13 1.13 5.75 -1.64 -2.82 115.11 117.24 2jxl h GLN 58 Ca 0.08 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 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 -0.33 0.11 -0.09 1.49 -2.65 0.00 0.00 178.83 177.37 2jxl h GLU 59 N 0.00 -0.21 -0.08 1.69 4.81 -0.71 -0.07 114.58 120.01 2jxl h GLU 59 Ca -0.00 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2jxl h GLU 59 Cb 0.34 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2jxl h GLU 59 CO 0.01 -0.14 -0.41 0.52 -0.73 0.00 0.00 179.01 178.27 2jxl h MET 60 N -0.21 0.17 0.00 1.92 2.86 -1.28 -2.59 114.93 115.80 2jxl h MET 60 Ca -0.01 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 2jxl h MET 60 Cb 0.19 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2jxl h MET 60 CO 0.00 0.55 -0.15 0.82 1.06 0.00 0.00 176.91 179.19 2jxl h ILE 61 N 0.15 0.39 -0.00 -1.22 2.04 -1.22 -2.72 117.51 114.92 2jxl h ILE 61 Ca 0.01 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2jxl h ILE 61 Cb 0.78 1.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2jxl h ILE 61 CO 0.06 0.15 -0.00 -0.78 0.00 0.00 0.00 178.15 177.58 2jxl h ASP 62 N 0.00 0.01 0.92 1.72 3.58 -0.60 0.30 116.42 122.36 2jxl h ASP 62 Ca -0.00 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.08 2jxl h ASP 62 Cb 0.66 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 2jxl h ASP 62 CO 0.02 0.33 -0.19 -0.08 -2.88 0.00 0.00 179.24 176.44 2jxl h GLU 63 N -0.31 0.00 0.00 0.28 4.22 -1.59 -3.23 114.58 113.95 2jxl h GLU 63 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 2jxl h GLU 63 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jxl h GLU 63 CO 0.00 0.19 -0.15 0.28 -2.18 0.00 0.00 179.01 177.15 2jxl h VAL 64 N 0.00 1.70 -2.21 0.32 2.07 -1.32 -3.44 116.25 113.37 2jxl h VAL 64 Ca -0.00 -2.33 -0.56 0.00 0.82 0.00 0.00 66.70 64.62 2jxl h VAL 64 Cb 0.71 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 2jxl h VAL 64 CO 0.02 0.58 1.42 -0.62 0.02 0.00 0.00 177.57 178.99 2jxl s ASP 65 N -6.30 5.49 0.22 0.57 -1.08 0.11 -4.84 116.67 110.83 2jxl s ASP 65 Ca -0.20 1.47 -0.04 0.00 -0.52 0.00 0.00 52.55 53.26 2jxl s ASP 65 Cb -0.02 -2.52 0.22 0.00 -1.46 0.00 0.00 42.92 39.14 2jxl s ASP 65 CO 0.68 -2.00 1.66 -0.33 0.52 0.00 0.00 175.17 175.70 2jxl h GLU 66 N 14.75 0.78 -0.00 4.34 5.08 -1.85 -2.93 114.58 134.75 2jxl h GLU 66 Ca -0.35 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 2jxl h GLU 66 Cb 1.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jxl h GLU 66 CO 1.03 0.90 -0.71 -0.40 -1.00 0.00 0.00 179.01 178.82 2jxl n ASP 67 N -4.14 1.18 -3.87 1.42 5.68 -1.26 -4.98 116.55 110.58 2jxl n ASP 67 Ca 0.01 -0.99 -0.27 0.00 -0.50 0.00 0.00 54.79 53.04 2jxl n ASP 67 Cb 0.40 0.66 0.01 0.00 -1.14 0.00 0.00 41.12 41.05 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 -0.36 0.00 6.12 0.00 -1.11 -4.83 105.19 106.47 2jxl n GLY 68 Ca 0.06 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.93 0.00 0.00 1.61 3.41 -1.26 -4.85 113.62 109.60 2jxl n SER 69 Ca -0.15 -0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2jxl n SER 69 Cb 0.61 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.93 0.55 3.26 5.00 0.00 -1.26 -5.06 105.19 108.62 2jxl n GLY 70 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.06 0.09 -0.19 2.61 -4.23 -1.26 -4.38 115.64 106.21 2jxl s THR 71 Ca 0.00 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2jxl s THR 71 Cb 0.00 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2jxl s THR 71 CO 0.00 -0.41 0.08 -0.69 -0.54 0.00 0.00 174.62 173.06 2jxl s VAL 72 N -3.98 4.94 0.54 2.29 1.01 -1.15 -4.84 120.40 119.21 2jxl s VAL 72 Ca 0.18 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2jxl s VAL 72 Cb 0.05 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.24 2jxl s VAL 72 CO -0.01 0.44 0.75 1.51 0.00 0.00 0.00 175.10 177.79 2jxl s ASP 73 N 0.48 5.20 0.45 3.32 -4.77 -1.26 -3.47 116.67 116.61 2jxl s ASP 73 Ca 0.05 -0.46 0.22 0.00 -3.30 0.00 0.00 52.55 49.06 2jxl s ASP 73 Cb -0.12 -0.31 1.20 0.00 -1.09 0.00 0.00 42.92 42.60 2jxl s ASP 73 CO 0.00 -1.20 1.85 0.15 0.70 0.00 0.00 175.17 176.68 2jxl h PHE 74 N 0.19 0.41 0.63 2.11 3.57 -1.97 0.50 116.94 122.38 2jxl h PHE 74 Ca -0.37 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.11 2jxl h PHE 74 Cb 1.28 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2jxl h PHE 74 CO 0.31 0.09 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.73 2jxl h ASP 75 N 0.29 -0.72 -0.22 0.41 3.32 -2.00 -2.45 116.42 115.05 2jxl h ASP 75 Ca 0.48 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 2jxl h ASP 75 Cb 1.39 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 2jxl h ASP 75 CO -0.15 -0.41 0.10 -0.33 -1.72 0.00 0.00 179.24 176.73 2jxl h GLU 76 N -1.05 0.31 -0.86 3.56 5.08 -1.74 -2.32 114.58 117.56 2jxl h GLU 76 Ca -0.09 -0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.47 2jxl h GLU 76 Cb 0.65 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2jxl h GLU 76 CO 0.14 0.34 0.65 2.35 -1.00 0.00 0.00 179.01 181.49 2jxl h TRP 77 N 0.22 0.00 -0.53 4.33 7.01 -0.10 0.28 115.95 127.17 2jxl h TRP 77 Ca 0.07 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.97 2jxl h TRP 77 Cb 0.13 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2jxl h TRP 77 CO -0.02 0.00 -0.08 1.25 -2.79 0.00 0.00 178.44 176.80 2jxl h LEU 78 N 0.00 0.95 -1.09 0.65 6.46 -0.91 -2.91 115.31 118.47 2jxl h LEU 78 Ca 0.41 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2jxl h LEU 78 Cb 1.71 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 41.35 2jxl h LEU 78 CO -0.00 1.05 0.36 0.58 -0.62 0.00 0.00 178.44 179.81 2jxl h VAL 79 N 0.86 1.22 0.02 1.05 2.07 -0.45 -2.85 116.25 118.17 2jxl h VAL 79 Ca 0.14 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2jxl h VAL 79 Cb 0.62 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2jxl h VAL 79 CO 0.04 0.25 -0.45 -0.03 0.02 0.00 0.00 177.57 177.40 2jxl h MET 80 N 1.00 -0.60 -0.69 1.57 -1.53 -1.38 -0.72 114.93 112.58 2jxl h MET 80 Ca 0.25 0.04 0.10 0.00 -3.44 0.00 0.00 59.70 56.65 2jxl h MET 80 Cb 0.07 0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.21 2jxl h MET 80 CO -0.04 -0.40 0.46 1.98 0.14 0.00 0.00 176.91 179.05 2jxl h MET 81 N -0.62 0.55 -0.94 0.39 -1.53 -1.58 -1.19 114.93 110.01 2jxl h MET 81 Ca 0.03 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.31 2jxl h MET 81 Cb 0.68 -0.12 -0.06 0.00 -0.55 0.00 0.00 31.60 31.55 2jxl h MET 81 CO -0.32 0.36 0.61 0.00 0.14 0.00 0.00 176.91 177.70 2jxl h ALA 82 N 1.65 1.27 0.00 0.39 0.00 -0.92 -0.55 119.26 121.09 2jxl h ALA 82 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2jxl h ALA 82 Cb 0.49 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jxl h ALA 82 CO -0.11 0.44 -0.12 0.07 0.00 0.00 0.00 179.25 179.53 2jxl h ARG 83 N 1.14 0.00 0.00 0.00 0.11 -0.51 -1.65 114.38 113.47 2jxl h ARG 83 Ca 0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.47 2jxl h ARG 83 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2jxl h ARG 83 CO -0.14 0.12 0.00 0.00 0.10 0.00 0.00 179.97 180.05 2jxl h MET 85 N 0.00 0.08 0.00 0.00 2.86 -1.30 -3.13 114.93 113.44 2jxl h MET 85 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2jxl h MET 85 Cb 0.38 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2jxl h MET 85 CO 0.00 0.76 0.00 1.63 1.06 0.00 0.00 176.91 180.36 2jxl n LYS 86 N -4.67 0.11 -4.04 1.72 5.02 -1.16 -4.88 118.16 110.26 2jxl n LYS 86 Ca -0.09 0.16 -0.31 0.00 -2.02 0.00 0.00 58.31 56.04 2jxl n LYS 86 Cb 0.39 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 2jxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jxl n ASP 87 N -1.41 -3.08 -3.32 4.39 2.03 -1.15 -0.99 116.55 113.01 2jxl n ASP 87 Ca 0.06 -0.93 -0.18 0.00 0.52 0.00 0.00 54.79 54.27 2jxl n ASP 87 Cb 0.19 -3.25 0.08 0.00 -0.72 0.00 0.00 41.12 37.42 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jxl n ASP 88 N -2.80 -3.05 -0.29 1.67 2.03 -1.25 -5.10 116.55 107.76 2jxl n ASP 88 Ca -0.03 -0.57 0.15 0.00 0.52 0.00 0.00 54.79 54.86 2jxl n ASP 88 Cb 0.55 -4.84 0.69 0.00 -0.72 0.00 0.00 41.12 36.80 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08