#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 3.32 0.41 3.17 1.11 -1.26 -4.87 116.67 118.55 2jxl s ASP 2 Ca 0.00 0.71 0.21 0.00 0.18 0.00 0.00 52.55 53.65 2jxl s ASP 2 Cb 0.00 -1.10 0.82 0.00 1.07 0.00 0.00 42.92 43.71 2jxl s ASP 2 CO 0.00 -2.64 1.80 -2.24 1.18 0.00 0.00 175.17 173.26 2jxl h ASP 3 N -1.57 0.00 0.38 0.27 2.03 -2.04 -2.29 116.42 113.20 2jxl h ASP 3 Ca -0.47 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.72 2jxl h ASP 3 Cb 1.30 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.79 2jxl h ASP 3 CO 0.54 0.31 -0.46 -0.29 -1.03 0.00 0.00 179.24 178.30 2jxl h ILE 4 N 0.00 1.33 0.12 4.15 2.10 -1.98 -0.10 117.51 123.13 2jxl h ILE 4 Ca -0.00 -1.62 -0.24 0.00 1.08 0.00 0.00 64.86 64.08 2jxl h ILE 4 Cb 0.79 1.82 0.01 0.00 -1.09 0.00 0.00 36.82 38.34 2jxl h ILE 4 CO 0.04 0.47 -1.15 1.88 -1.08 0.00 0.00 178.15 178.31 2jxl h TYR 5 N 0.09 0.46 -0.24 2.19 0.05 -1.87 -3.15 116.97 114.50 2jxl h TYR 5 Ca 0.00 -0.34 -0.09 0.00 0.05 0.00 0.00 58.73 58.36 2jxl h TYR 5 Cb 0.86 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 2jxl h TYR 5 CO 0.01 1.45 -0.22 1.57 -1.05 0.00 0.00 178.16 179.92 2jxl h LYS 6 N -0.37 0.44 -0.06 4.88 5.09 -1.43 -2.53 116.57 122.59 2jxl h LYS 6 Ca -0.24 -0.15 -0.11 0.00 0.09 0.00 0.00 60.65 60.24 2jxl h LYS 6 Cb 1.69 -0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.97 2jxl h LYS 6 CO 0.09 0.64 -0.45 0.00 -2.09 0.00 0.00 179.45 177.63 2jxl h ALA 7 N 1.38 1.13 -0.19 0.07 0.00 -1.14 -1.48 119.26 119.03 2jxl h ALA 7 Ca 0.06 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jxl h ALA 7 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2jxl h ALA 7 CO 0.04 0.60 -0.37 0.00 0.00 0.00 0.00 179.25 179.53 2jxl h ALA 8 N 1.42 0.30 -0.01 0.00 0.00 -1.43 -2.52 119.26 117.03 2jxl h ALA 8 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 2jxl h ALA 8 Cb 0.85 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2jxl h ALA 8 CO 0.07 0.37 -0.56 -0.39 0.00 0.00 0.00 179.25 178.74 2jxl h VAL 9 N 0.25 1.40 0.00 0.00 -1.51 -1.40 -2.87 116.25 112.11 2jxl h VAL 9 Ca 0.01 -1.92 -0.10 0.00 -1.23 0.00 0.00 66.70 63.46 2jxl h VAL 9 Cb 0.97 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 2jxl h VAL 9 CO 0.08 0.55 -0.48 -0.33 -1.23 0.00 0.00 177.57 176.16 2jxl h GLU 10 N 0.01 0.00 -0.13 5.19 5.08 -1.24 -2.72 114.58 120.77 2jxl h GLU 10 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2jxl h GLU 10 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jxl h GLU 10 CO 0.07 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 2jxl n GLN 11 N -3.63 1.75 -0.96 2.33 10.64 -0.95 -4.92 117.38 121.64 2jxl n GLN 11 Ca -0.01 -1.12 -0.30 0.00 -1.83 0.00 0.00 57.00 53.74 2jxl n GLN 11 Cb 0.56 -1.42 0.26 0.00 -0.86 0.00 0.00 30.24 28.78 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 -1.69 0.25 0.24 2.61 1.43 -1.03 -5.06 118.68 115.44 2jxl s LEU 12 Ca 0.34 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 2jxl s LEU 12 Cb 0.19 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2jxl s LEU 12 CO 0.28 -4.50 0.27 0.28 0.23 0.00 0.00 176.35 172.92 2jxl s THR 13 N -2.90 4.86 0.35 5.49 -1.32 -1.26 -5.00 115.64 115.85 2jxl s THR 13 Ca 0.72 -1.18 0.07 0.00 -1.21 0.00 0.00 61.69 60.09 2jxl s THR 13 Cb -0.08 -3.63 0.31 0.00 -1.51 0.00 0.00 72.50 67.59 2jxl s THR 13 CO 0.56 -0.33 1.89 -0.33 -2.21 0.00 0.00 174.62 174.20 2jxl h GLU 14 N 1.39 0.74 -0.17 7.08 5.08 -1.99 0.43 114.58 127.13 2jxl h GLU 14 Ca -0.50 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 57.76 2jxl h GLU 14 Cb 1.23 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2jxl h GLU 14 CO 0.61 0.49 -0.15 1.05 -1.00 0.00 0.00 179.01 180.01 2jxl h GLU 15 N 0.76 0.28 0.15 2.33 4.11 -2.00 -2.79 114.58 117.42 2jxl h GLU 15 Ca 0.42 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 2jxl h GLU 15 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jxl h GLU 15 CO -0.19 0.44 -0.07 1.96 0.07 0.00 0.00 179.01 181.22 2jxl h GLN 16 N 0.27 -0.19 -0.96 1.06 7.50 -1.30 -2.35 115.11 119.13 2jxl h GLN 16 Ca 0.05 0.01 0.09 0.00 0.50 0.00 0.00 58.65 59.31 2jxl h GLN 16 Cb 0.43 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 27.93 2jxl h GLN 16 CO 0.03 0.03 0.60 0.87 -1.50 0.00 0.00 178.83 178.85 2jxl h LYS 17 N -0.38 0.98 0.16 1.46 6.56 -1.38 0.28 116.57 124.25 2jxl h LYS 17 Ca -0.02 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2jxl h LYS 17 Cb 0.30 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2jxl h LYS 17 CO 0.03 0.65 -0.11 -0.91 -2.06 0.00 0.00 179.45 177.05 2jxl h ASN 18 N 1.01 -0.27 0.02 0.86 2.35 -1.34 0.05 115.58 118.26 2jxl h ASN 18 Ca 0.45 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 56.13 2jxl h ASN 18 Cb 0.34 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 2jxl h ASN 18 CO -0.23 -0.18 -0.28 -0.33 -1.65 0.00 0.00 177.43 174.77 2jxl h GLU 19 N -0.27 0.40 -0.16 0.81 4.39 -0.88 -0.89 114.58 117.98 2jxl h GLU 19 Ca -0.01 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.46 2jxl h GLU 19 Cb 0.23 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2jxl h GLU 19 CO 0.01 0.65 -0.25 0.74 -1.16 0.00 0.00 179.01 178.99 2jxl h PHE 20 N 0.35 0.31 0.18 4.33 -1.00 -0.11 0.28 116.94 121.29 2jxl h PHE 20 Ca 0.05 -0.06 -0.26 0.00 2.81 0.00 0.00 57.97 60.51 2jxl h PHE 20 Cb 0.68 -0.08 0.02 0.00 3.61 0.00 0.00 35.95 40.18 2jxl h PHE 20 CO 0.02 0.52 -1.20 -0.22 -1.61 0.00 0.00 178.31 175.82 2jxl h LYS 21 N 0.26 0.39 -0.11 1.51 3.64 -0.67 -3.14 116.57 118.45 2jxl h LYS 21 Ca 0.04 -0.66 -0.04 0.00 -1.27 0.00 0.00 60.65 58.72 2jxl h LYS 21 Cb 0.59 0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2jxl h LYS 21 CO 0.04 1.32 -0.09 0.00 -2.27 0.00 0.00 179.45 178.45 2jxl h ALA 22 N 0.09 0.16 -0.21 5.00 0.00 -1.09 -3.14 119.26 120.06 2jxl h ALA 22 Ca -0.22 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jxl h ALA 22 Cb 1.88 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.58 2jxl h ALA 22 CO 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.27 2jxl h ALA 23 N 0.60 0.01 -0.62 0.00 0.00 -0.60 0.15 119.26 118.80 2jxl h ALA 23 Ca 0.02 0.08 0.18 0.00 0.00 0.00 0.00 54.91 55.19 2jxl h ALA 23 Cb 0.59 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2jxl h ALA 23 CO 0.02 -0.57 0.49 0.35 0.00 0.00 0.00 179.25 179.54 2jxl h PHE 24 N -0.15 0.00 -0.33 0.00 3.57 -1.59 0.23 116.94 118.68 2jxl h PHE 24 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2jxl h PHE 24 Cb 0.33 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2jxl h PHE 24 CO -0.31 0.00 -0.00 0.22 -2.23 0.00 0.00 178.31 175.99 2jxl h ASP 25 N 0.00 0.58 -0.51 0.41 3.58 -0.91 -1.77 116.42 117.79 2jxl h ASP 25 Ca 0.29 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 2jxl h ASP 25 Cb 1.27 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 2jxl h ASP 25 CO -0.00 0.75 -0.05 0.40 -2.88 0.00 0.00 179.24 177.45 2jxl h ILE 26 N 0.39 1.26 0.21 2.25 5.03 -0.79 0.30 117.51 126.16 2jxl h ILE 26 Ca 0.09 -1.17 -0.01 0.00 -0.12 0.00 0.00 64.86 63.65 2jxl h ILE 26 Cb 0.45 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 2jxl h ILE 26 CO 0.02 0.42 -0.10 -0.26 -0.68 0.00 0.00 178.15 177.54 2jxl h PHE 27 N 0.88 -0.26 -0.10 1.37 0.04 -1.31 -2.62 116.94 114.93 2jxl h PHE 27 Ca 0.15 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2jxl h PHE 27 Cb 0.58 0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.82 2jxl h PHE 27 CO 0.04 -0.05 0.00 1.33 -0.60 0.00 0.00 178.31 179.03 2jxl n VAL 28 N -5.15 0.13 0.30 -0.55 0.24 -0.68 -3.84 118.33 108.79 2jxl n VAL 28 Ca -0.09 -0.19 0.19 0.00 -2.04 0.00 0.00 64.34 62.20 2jxl n VAL 28 Cb 0.18 0.07 0.96 0.00 -1.47 0.00 0.00 33.84 33.58 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 1.18 0.00 0.00 1.34 8.10 0.01 -2.22 115.31 123.72 2jxl h LEU 29 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 2jxl h LEU 29 Cb 0.26 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.44 2jxl h LEU 29 CO 0.00 0.02 -1.48 0.61 -4.11 0.00 0.00 178.44 173.48 2jxl n GLY 30 N -0.68 -1.15 3.75 0.17 0.00 -1.25 -4.94 105.19 101.09 2jxl n GLY 30 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.84 1.44 -0.08 4.61 0.00 -0.83 -5.01 121.76 119.05 2jxl s ALA 31 Ca -0.03 -0.71 0.13 0.00 0.00 0.00 0.00 51.96 51.35 2jxl s ALA 31 Cb 0.08 -2.97 -0.19 0.00 0.00 0.00 0.00 23.12 20.04 2jxl s ALA 31 CO 0.81 -2.70 0.17 -1.91 0.00 0.00 0.00 175.76 172.13 2jxl n GLU 32 N -4.06 1.17 -0.08 0.00 2.13 -1.26 -4.59 120.64 113.94 2jxl n GLU 32 Ca 0.09 -0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 2jxl n GLU 32 Cb 0.59 -1.34 -0.15 0.00 0.27 0.00 0.00 31.44 30.82 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jxl n ASP 33 N -2.25 0.79 0.00 4.31 8.00 -1.26 -5.02 116.55 121.12 2jxl n ASP 33 Ca -0.12 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2jxl n ASP 33 Cb 0.66 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 1.82 0.90 3.40 0.44 0.00 -1.26 -5.15 105.19 105.34 2jxl n GLY 34 Ca -0.31 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.55 1.08 0.16 0.00 1.09 -1.19 -4.53 121.20 114.25 2jxl s ILE 36 Ca 0.33 -0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.55 2jxl s ILE 36 Cb 0.02 -1.09 -0.04 0.00 -1.06 0.00 0.00 42.46 40.29 2jxl s ILE 36 CO 0.18 0.37 0.34 -0.55 -0.10 0.00 0.00 174.94 175.18 2jxl s SER 37 N 1.69 6.39 0.60 3.58 0.15 -1.26 -1.61 113.70 123.24 2jxl s SER 37 Ca 0.05 0.36 0.29 0.00 0.70 0.00 0.00 55.95 57.36 2jxl s SER 37 Cb -0.13 -2.00 1.62 0.00 -1.71 0.00 0.00 66.02 63.81 2jxl s SER 37 CO -0.08 0.03 2.03 0.00 1.20 0.00 0.00 173.24 176.41 2jxl h THR 38 N 1.74 0.38 0.30 6.45 1.03 -1.92 0.24 112.91 121.13 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 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2jxl h THR 38 CO 0.70 0.00 -0.15 0.50 -0.01 0.00 0.00 175.52 176.57 2jxl h LYS 39 N 0.00 -0.39 0.07 0.00 3.64 -1.93 -0.36 116.57 117.60 2jxl h LYS 39 Ca 0.12 0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.27 2jxl h LYS 39 Cb 0.71 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jxl h LYS 39 CO -0.00 -0.14 -1.10 0.93 -2.27 0.00 0.00 179.45 176.86 2jxl h GLU 40 N -0.60 0.29 -0.47 1.90 4.39 -1.74 -3.30 114.58 115.04 2jxl h GLU 40 Ca -0.04 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.24 2jxl h GLU 40 Cb 0.43 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2jxl h GLU 40 CO 0.07 1.15 0.27 1.25 -1.16 0.00 0.00 179.01 180.58 2jxl h LEU 41 N 0.12 0.58 -1.38 1.33 5.85 -0.59 -2.45 115.31 118.78 2jxl h LEU 41 Ca -0.10 -0.08 0.20 0.00 0.84 0.00 0.00 57.88 58.74 2jxl h LEU 41 Cb 1.79 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 2jxl h LEU 41 CO 0.18 0.49 0.61 1.23 -0.34 0.00 0.00 178.44 180.61 2jxl h GLY 42 N 0.63 1.11 0.46 3.75 0.00 -1.14 -1.25 103.07 106.62 2jxl h GLY 42 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2jxl h GLY 42 CO -0.03 -0.02 -0.00 0.50 0.00 0.00 0.00 176.54 176.99 2jxl h LYS 43 N 0.50 -0.01 -0.37 4.80 1.57 -1.57 -3.11 116.57 118.39 2jxl h LYS 43 Ca 0.50 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.39 2jxl h LYS 43 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2jxl h LYS 43 CO -0.23 0.53 0.29 0.28 -0.57 0.00 0.00 179.45 179.76 2jxl h VAL 44 N -0.55 0.68 -0.75 0.50 2.07 -1.01 -0.60 116.25 116.58 2jxl h VAL 44 Ca -0.00 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 2jxl h VAL 44 Cb 0.54 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2jxl h VAL 44 CO 0.00 0.00 0.58 0.24 0.02 0.00 0.00 177.57 178.41 2jxl h MET 45 N 0.00 0.00 -0.38 1.57 2.86 -1.19 0.24 114.93 118.03 2jxl h MET 45 Ca 0.17 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.85 2jxl h MET 45 Cb 0.76 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2jxl h MET 45 CO -0.00 0.00 0.26 0.07 1.06 0.00 0.00 176.91 178.30 2jxl h ARG 46 N 0.00 0.35 -0.14 1.72 0.11 0.08 -0.74 114.38 115.76 2jxl h ARG 46 Ca 0.36 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 60.33 2jxl h ARG 46 Cb 1.51 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.50 2jxl h ARG 46 CO -0.00 0.23 -0.29 0.52 0.10 0.00 0.00 179.97 180.53 2jxl h MET 47 N 0.37 0.26 0.00 0.08 2.86 -0.70 -2.43 114.93 115.37 2jxl h MET 47 Ca 0.16 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2jxl h MET 47 Cb 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2jxl h MET 47 CO -0.04 0.54 -0.17 -0.07 1.06 0.00 0.00 176.91 178.23 2jxl h LEU 48 N 0.24 0.00 0.00 1.22 -0.00 -1.22 -3.46 115.31 112.09 2jxl h LEU 48 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2jxl h LEU 48 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2jxl h LEU 48 CO 0.05 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.27 2jxl n GLY 49 N 0.58 1.26 3.26 0.83 0.00 -0.92 -5.12 105.19 105.08 2jxl n GLY 49 Ca 0.02 0.00 -0.14 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 -0.29 1.16 -0.39 1.61 1.11 -0.95 -5.00 119.66 116.91 2jxl s GLN 50 Ca 0.00 -1.56 0.10 0.00 0.01 0.00 0.00 55.36 53.91 2jxl s GLN 50 Cb 0.00 -0.40 0.30 0.00 -1.01 0.00 0.00 33.01 31.91 2jxl s GLN 50 CO 0.00 -0.10 0.70 0.09 0.01 0.00 0.00 175.29 175.99 2jxl n ASN 51 N -0.28 0.01 -4.77 5.90 3.02 -1.26 -1.44 115.26 116.45 2jxl n ASN 51 Ca -0.07 -2.98 -0.38 0.00 -0.03 0.00 0.00 54.58 51.13 2jxl n ASN 51 Cb 0.63 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2jxl s PRO 52 N -1.49 3.92 0.94 3.52 0.04 -1.26 -5.00 135.00 135.67 2jxl s PRO 52 Ca 0.36 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 2jxl s PRO 52 Cb 0.27 -2.57 0.09 0.00 0.04 0.00 0.00 34.50 32.33 2jxl s PRO 52 CO -0.10 -0.43 0.74 0.25 0.04 0.00 0.00 177.00 177.50 2jxl n THR 53 N -0.16 0.00 -0.01 1.26 -2.24 -1.26 -4.77 114.28 107.10 2jxl n THR 53 Ca 0.06 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2jxl n THR 53 Cb 0.47 -0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.74 -0.01 -0.42 -0.78 0.13 -1.94 -1.14 132.00 126.09 2jxl h PRO 54 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.37 0.47 -0.09 0.93 -0.23 0.00 0.00 178.00 179.46 2jxl h GLU 55 N -0.51 0.74 0.40 0.86 5.08 -1.93 0.33 114.58 119.56 2jxl h GLU 55 Ca -0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2jxl h GLU 55 Cb 0.49 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jxl h GLU 55 CO 0.00 0.81 -0.19 1.49 -1.00 0.00 0.00 179.01 180.12 2jxl h GLU 56 N 0.68 -0.52 -0.36 2.33 4.57 -1.93 -3.16 114.58 116.19 2jxl h GLU 56 Ca 0.12 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2jxl h GLU 56 Cb 0.54 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.23 2jxl h GLU 56 CO 0.03 -0.21 0.17 1.37 -1.18 0.00 0.00 179.01 179.19 2jxl h LEU 57 N -0.93 0.44 -2.36 1.64 8.10 -1.21 -1.34 115.31 119.65 2jxl h LEU 57 Ca -0.06 -0.03 0.03 0.00 0.11 0.00 0.00 57.88 57.93 2jxl h LEU 57 Cb 0.55 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2jxl h LEU 57 CO 0.09 0.38 0.16 -0.61 -4.11 0.00 0.00 178.44 174.35 2jxl h GLN 58 N 0.50 0.00 -0.08 0.17 4.15 -0.91 -2.09 115.11 116.85 2jxl h GLN 58 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.56 2jxl h GLN 58 Cb 0.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.74 2jxl h GLN 58 CO -0.02 0.00 -0.03 0.93 -1.93 0.00 0.00 178.83 177.79 2jxl h GLU 59 N 0.00 -0.01 0.00 1.69 4.39 -1.21 -1.04 114.58 118.40 2jxl h GLU 59 Ca 0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2jxl h GLU 59 Cb 0.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2jxl h GLU 59 CO -0.00 -0.01 -0.11 0.52 -1.16 0.00 0.00 179.01 178.25 2jxl h MET 60 N -0.01 0.00 0.00 2.33 2.86 -1.54 -1.33 114.93 117.24 2jxl h MET 60 Ca 0.04 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 2jxl h MET 60 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2jxl h MET 60 CO -0.09 0.11 -0.36 0.82 1.06 0.00 0.00 176.91 178.45 2jxl h ILE 61 N 0.00 0.73 -0.07 -1.22 2.04 -1.31 -2.97 117.51 114.70 2jxl h ILE 61 Ca -0.00 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 2jxl h ILE 61 Cb 0.20 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2jxl h ILE 61 CO 0.01 0.35 0.02 -0.78 0.00 0.00 0.00 178.15 177.75 2jxl h ASP 62 N 0.00 0.10 0.90 1.72 3.58 -0.02 0.34 116.42 123.04 2jxl h ASP 62 Ca -0.00 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 2jxl h ASP 62 Cb 1.03 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2jxl h ASP 62 CO 0.05 0.27 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.40 2jxl h GLU 63 N -0.09 0.00 0.16 0.28 4.81 -1.59 -3.15 114.58 115.01 2jxl h GLU 63 Ca 0.02 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.02 2jxl h GLU 63 Cb 0.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.61 2jxl h GLU 63 CO -0.00 0.20 -1.03 0.28 -0.73 0.00 0.00 179.01 177.72 2jxl h VAL 64 N 0.00 1.39 -1.44 0.32 2.07 -1.32 -3.42 116.25 113.84 2jxl h VAL 64 Ca -0.00 -2.54 -0.41 0.00 0.82 0.00 0.00 66.70 64.57 2jxl h VAL 64 Cb 0.70 3.09 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 2jxl h VAL 64 CO 0.03 0.73 1.09 -0.62 0.02 0.00 0.00 177.57 178.82 2jxl s ASP 65 N -7.09 5.17 0.37 0.57 -1.08 0.12 -4.81 116.67 109.92 2jxl s ASP 65 Ca -0.14 -0.05 0.06 0.00 -0.52 0.00 0.00 52.55 51.90 2jxl s ASP 65 Cb 0.02 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.67 2jxl s ASP 65 CO 0.84 -2.57 1.97 1.05 0.52 0.00 0.00 175.17 176.98 2jxl h GLU 66 N 13.61 0.53 -0.00 4.34 -0.00 -1.83 -1.78 114.58 129.45 2jxl h GLU 66 Ca -0.11 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2jxl h GLU 66 Cb 1.10 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.75 2jxl h GLU 66 CO 1.21 0.46 -0.59 -0.40 -0.00 0.00 0.00 179.01 179.68 2jxl n ASP 67 N -4.38 1.00 -4.01 3.06 5.68 -1.26 -4.97 116.55 111.68 2jxl n ASP 67 Ca 0.02 -0.81 -0.32 0.00 -0.50 0.00 0.00 54.79 53.19 2jxl n ASP 67 Cb 0.15 0.48 0.01 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.47 0.00 6.12 0.00 -0.67 -4.82 105.19 106.81 2jxl n GLY 68 Ca 0.07 0.17 0.12 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 -2.79 0.00 0.00 1.61 3.41 -1.26 -4.85 113.62 109.74 2jxl n SER 69 Ca 0.04 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2jxl n SER 69 Cb 0.52 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 0.76 0.29 3.36 5.00 0.00 -1.26 -5.05 105.19 108.28 2jxl n GLY 70 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.13 2.61 -4.23 -1.26 -4.31 115.64 106.32 2jxl s THR 71 Ca 0.00 -1.81 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2jxl s THR 71 Cb 0.00 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 2jxl s THR 71 CO 0.00 0.00 0.17 0.54 -0.54 0.00 0.00 174.62 174.79 2jxl s VAL 72 N -3.53 5.44 0.40 2.29 0.11 -0.63 -4.74 120.40 119.74 2jxl s VAL 72 Ca 0.35 0.28 0.05 0.00 -2.93 0.00 0.00 61.98 59.73 2jxl s VAL 72 Cb 0.02 -3.45 0.07 0.00 -1.53 0.00 0.00 36.38 31.49 2jxl s VAL 72 CO 0.20 0.56 0.55 0.47 -3.33 0.00 0.00 175.10 173.56 2jxl n ASP 73 N 2.40 1.25 -0.11 3.54 9.92 -1.26 -3.17 116.55 129.12 2jxl n ASP 73 Ca -0.18 -1.93 -0.10 0.00 -0.53 0.00 0.00 54.79 52.04 2jxl n ASP 73 Cb 0.54 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.68 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 -0.09 0.59 -0.33 1.24 3.04 -1.98 0.30 116.94 119.72 2jxl h PHE 74 Ca -0.19 -0.09 -0.04 0.00 3.98 0.00 0.00 57.97 61.64 2jxl h PHE 74 Cb 0.81 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2jxl h PHE 74 CO 0.00 0.64 0.05 -0.44 -2.02 0.00 0.00 178.31 176.54 2jxl h ASP 75 N 0.38 0.52 -0.27 0.41 3.32 -1.99 -0.78 116.42 118.00 2jxl h ASP 75 Ca 0.10 -0.26 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 2jxl h ASP 75 Cb 0.38 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2jxl h ASP 75 CO 0.01 0.64 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.54 2jxl h GLU 76 N 0.37 0.79 -0.17 3.56 5.08 -1.87 -1.51 114.58 120.82 2jxl h GLU 76 Ca 0.10 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.01 2jxl h GLU 76 Cb 0.35 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jxl h GLU 76 CO 0.01 0.98 -0.30 2.35 -1.00 0.00 0.00 179.01 181.05 2jxl h TRP 77 N 0.67 0.38 -0.01 4.33 7.01 -0.28 0.12 115.95 128.17 2jxl h TRP 77 Ca 0.08 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2jxl h TRP 77 Cb 0.83 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.80 2jxl h TRP 77 CO 0.04 0.61 -0.06 -0.07 -2.79 0.00 0.00 178.44 176.17 2jxl h LEU 78 N 0.30 0.06 -1.44 0.65 4.07 -0.96 -3.26 115.31 114.74 2jxl h LEU 78 Ca 0.04 -0.71 -0.06 0.00 0.08 0.00 0.00 57.88 57.23 2jxl h LEU 78 Cb 0.68 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 2jxl h LEU 78 CO 0.05 0.77 -0.28 -0.37 -1.08 0.00 0.00 178.44 177.52 2jxl h VAL 79 N -0.63 1.12 -0.98 1.22 -1.51 -1.25 -2.80 116.25 111.41 2jxl h VAL 79 Ca -0.01 -1.00 0.14 0.00 -1.23 0.00 0.00 66.70 64.60 2jxl h VAL 79 Cb 0.77 1.55 -0.09 0.00 -2.13 0.00 0.00 31.29 31.39 2jxl h VAL 79 CO 0.01 0.28 0.62 -0.03 -1.23 0.00 0.00 177.57 177.22 2jxl h MET 80 N 0.00 0.87 -0.57 5.19 1.85 -1.00 -0.73 114.93 120.55 2jxl h MET 80 Ca -0.00 -0.05 -0.11 0.00 -0.61 0.00 0.00 59.70 58.92 2jxl h MET 80 Cb 0.53 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 2jxl h MET 80 CO 0.04 0.57 -0.08 1.98 -0.40 0.00 0.00 176.91 179.02 2jxl h MET 81 N 0.89 1.05 -0.34 0.39 -1.53 -1.58 -2.65 114.93 111.16 2jxl h MET 81 Ca 0.50 -0.37 0.10 0.00 -3.44 0.00 0.00 59.70 56.49 2jxl h MET 81 Cb 0.61 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2jxl h MET 81 CO -0.27 1.07 0.34 0.00 0.14 0.00 0.00 176.91 178.19 2jxl h ALA 82 N 0.96 2.05 0.00 0.39 0.00 -1.19 0.20 119.26 121.67 2jxl h ALA 82 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2jxl h ALA 82 Cb 0.65 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jxl h ALA 82 CO 0.04 -0.52 -0.07 0.00 0.00 0.00 0.00 179.25 178.71 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 3.08 -1.31 -0.61 114.38 115.53 2jxl h ARG 83 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2jxl h ARG 83 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2jxl h ARG 83 CO -0.00 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.97 2jxl h MET 85 N 0.00 0.04 0.00 0.00 2.86 -1.22 -3.22 114.93 113.38 2jxl h MET 85 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jxl h MET 85 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2jxl h MET 85 CO 0.00 0.86 0.00 0.36 1.06 0.00 0.00 176.91 179.19 2jxl n LYS 86 N -4.64 0.15 0.02 1.72 -0.00 -1.21 -3.38 118.16 110.82 2jxl n LYS 86 Ca -0.10 0.13 -0.08 0.00 -0.00 0.00 0.00 58.31 58.26 2jxl n LYS 86 Cb 0.43 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.90 2jxl n LYS 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jxl h ASP 87 N 0.00 -0.14 -2.48 -5.58 3.58 -1.53 -3.36 116.42 106.90 2jxl h ASP 87 Ca 0.00 -0.34 -0.80 0.00 0.42 0.00 0.00 57.03 56.32 2jxl h ASP 87 Cb 0.25 0.04 -0.25 0.00 1.72 0.00 0.00 39.33 41.09 2jxl h ASP 87 CO 0.00 0.46 1.11 -0.67 -2.88 0.00 0.00 179.24 177.26 2jxl n ASP 88 N -4.86 6.41 0.00 2.28 2.03 -1.22 -5.12 116.55 116.07 2jxl n ASP 88 Ca -0.06 -3.39 0.00 0.00 0.52 0.00 0.00 54.79 51.85 2jxl n ASP 88 Cb 0.23 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04