#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 6.71 0.56 6.12 1.11 -1.26 -4.81 116.67 125.10 2jxl s ASP 2 Ca 0.00 -2.10 0.29 0.00 0.18 0.00 0.00 52.55 50.92 2jxl s ASP 2 Cb 0.00 -2.48 1.66 0.00 1.07 0.00 0.00 42.92 43.17 2jxl s ASP 2 CO 0.00 -1.16 2.16 -0.78 1.18 0.00 0.00 175.17 176.57 2jxl h ASP 3 N 8.61 0.00 -0.43 0.27 1.82 -2.04 -1.97 116.42 122.69 2jxl h ASP 3 Ca 0.25 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 2jxl h ASP 3 Cb 0.97 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2jxl h ASP 3 CO 1.29 0.06 0.21 -0.29 -1.61 0.00 0.00 179.24 178.90 2jxl h ILE 4 N 0.00 1.17 0.18 2.25 2.10 -1.94 0.22 117.51 121.50 2jxl h ILE 4 Ca -0.00 -0.50 -0.33 0.00 1.08 0.00 0.00 64.86 65.10 2jxl h ILE 4 Cb 0.18 0.59 0.01 0.00 -1.09 0.00 0.00 36.82 36.51 2jxl h ILE 4 CO 0.01 0.20 -1.65 1.88 -1.08 0.00 0.00 178.15 177.51 2jxl h TYR 5 N 0.67 0.69 -0.24 2.19 0.05 -1.69 -3.22 116.97 115.41 2jxl h TYR 5 Ca 0.16 -0.51 -0.07 0.00 0.05 0.00 0.00 58.73 58.37 2jxl h TYR 5 Cb 0.10 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2jxl h TYR 5 CO 0.01 1.64 -0.15 0.87 -1.05 0.00 0.00 178.16 179.48 2jxl h LYS 6 N 0.03 0.41 -0.49 4.88 1.57 -1.29 0.31 116.57 121.99 2jxl h LYS 6 Ca -0.33 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 2jxl h LYS 6 Cb 2.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.29 2jxl h LYS 6 CO 0.17 0.56 -0.19 0.00 -0.57 0.00 0.00 179.45 179.41 2jxl h ALA 7 N 1.47 0.73 0.17 3.86 0.00 -0.68 0.38 119.26 125.19 2jxl h ALA 7 Ca 0.07 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 2jxl h ALA 7 Cb 0.49 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jxl h ALA 7 CO 0.03 0.67 -1.37 0.00 0.00 0.00 0.00 179.25 178.59 2jxl h ALA 8 N 0.91 0.03 -0.00 0.00 0.00 -1.50 -3.16 119.26 115.53 2jxl h ALA 8 Ca 0.12 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 54.00 2jxl h ALA 8 Cb 0.77 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2jxl h ALA 8 CO 0.06 0.90 -0.56 -0.24 0.00 0.00 0.00 179.25 179.41 2jxl h VAL 9 N 0.10 1.40 0.00 0.00 3.04 -0.37 -2.93 116.25 117.49 2jxl h VAL 9 Ca -0.19 -1.92 -0.13 0.00 -1.01 0.00 0.00 66.70 63.45 2jxl h VAL 9 Cb 2.05 2.04 -0.02 0.00 -2.01 0.00 0.00 31.29 33.35 2jxl h VAL 9 CO 0.22 0.55 -0.61 -0.33 -1.01 0.00 0.00 177.57 176.39 2jxl h GLU 10 N 0.00 0.00 -0.32 4.17 4.39 -0.99 -2.73 114.58 119.11 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 0.99 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 2jxl h GLU 10 CO 0.07 0.61 0.00 0.00 -1.16 0.00 0.00 179.01 178.53 2jxl n GLN 11 N -3.81 1.72 -1.01 2.33 10.64 -1.11 -4.91 117.38 121.23 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 0.61 -1.25 0.25 0.00 -0.86 0.00 0.00 30.24 29.00 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 -1.00 0.42 0.36 2.61 1.43 -1.03 -5.04 118.68 116.42 2jxl s LEU 12 Ca 0.20 0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2jxl s LEU 12 Cb 0.11 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2jxl s LEU 12 CO 0.14 -4.38 0.63 0.28 0.23 0.00 0.00 176.35 173.25 2jxl s THR 13 N -2.95 4.99 0.29 5.49 -1.32 -1.26 -4.93 115.64 115.94 2jxl s THR 13 Ca 0.72 0.04 0.02 0.00 -1.21 0.00 0.00 61.69 61.26 2jxl s THR 13 Cb -0.08 -3.79 0.29 0.00 -1.51 0.00 0.00 72.50 67.40 2jxl s THR 13 CO 0.56 -0.52 1.82 -0.33 -2.21 0.00 0.00 174.62 173.94 2jxl h GLU 14 N 1.10 0.91 -0.13 7.08 5.08 -1.99 0.12 114.58 126.74 2jxl h GLU 14 Ca -0.48 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 2jxl h GLU 14 Cb 1.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2jxl h GLU 14 CO 0.64 0.60 -0.14 1.05 -1.00 0.00 0.00 179.01 180.16 2jxl h GLU 15 N 0.93 0.21 0.43 2.33 4.11 -1.98 -0.77 114.58 119.84 2jxl h GLU 15 Ca 0.52 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.88 2jxl h GLU 15 Cb 0.60 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2jxl h GLU 15 CO -0.30 0.36 -0.21 1.96 0.07 0.00 0.00 179.01 180.90 2jxl h GLN 16 N 0.20 -0.55 -0.56 1.06 1.08 -1.18 -2.42 115.11 112.74 2jxl h GLN 16 Ca 0.04 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.38 2jxl h GLN 16 Cb 0.38 0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 2jxl h GLN 16 CO 0.02 -0.37 0.38 -0.22 -0.95 0.00 0.00 178.83 177.69 2jxl h LYS 17 N -1.08 0.33 -0.33 1.46 1.63 -1.35 -0.29 116.57 116.94 2jxl h LYS 17 Ca -0.06 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 2jxl h LYS 17 Cb 0.44 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2jxl h LYS 17 CO 0.10 0.22 -0.22 -0.97 -3.45 0.00 0.00 179.45 175.13 2jxl h ASN 18 N 0.34 0.64 -0.31 4.20 -1.24 -1.17 -1.31 115.58 116.73 2jxl h ASN 18 Ca 0.26 -0.22 -0.07 0.00 0.71 0.00 0.00 56.30 56.98 2jxl h ASN 18 Cb 0.57 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.43 2jxl h ASN 18 CO -0.06 0.86 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.51 2jxl h GLU 19 N 0.56 0.61 -0.57 6.67 5.08 -0.54 0.41 114.58 126.81 2jxl h GLU 19 Ca 0.08 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 2jxl h GLU 19 Cb 0.68 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2jxl h GLU 19 CO 0.05 0.80 -0.08 0.74 -1.00 0.00 0.00 179.01 179.53 2jxl h PHE 20 N 0.38 1.17 -0.09 4.33 0.04 -1.34 0.29 116.94 121.72 2jxl h PHE 20 Ca 0.08 -0.23 -0.22 0.00 2.80 0.00 0.00 57.97 60.39 2jxl h PHE 20 Cb 0.58 -0.29 0.01 0.00 2.20 0.00 0.00 35.95 38.45 2jxl h PHE 20 CO 0.05 1.06 -0.82 -0.22 -0.60 0.00 0.00 178.31 177.79 2jxl h LYS 21 N 0.94 0.71 0.18 1.51 3.64 -1.18 -2.04 116.57 120.33 2jxl h LYS 21 Ca 0.15 -0.65 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2jxl h LYS 21 Cb 0.65 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jxl h LYS 21 CO 0.04 1.25 -0.09 0.00 -2.27 0.00 0.00 179.45 178.39 2jxl h ALA 22 N 0.48 -0.24 -0.98 5.00 0.00 -0.12 -2.97 119.26 120.43 2jxl h ALA 22 Ca -0.08 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2jxl h ALA 22 Cb 1.46 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2jxl h ALA 22 CO 0.17 -0.38 0.63 0.00 0.00 0.00 0.00 179.25 179.67 2jxl h ALA 23 N -0.10 1.33 -0.00 0.00 0.00 -0.54 -0.83 119.26 119.12 2jxl h ALA 23 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jxl h ALA 23 Cb 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2jxl h ALA 23 CO 0.04 0.47 0.00 0.35 0.00 0.00 0.00 179.25 180.11 2jxl h PHE 24 N 1.19 0.00 -0.73 0.00 3.57 -1.40 -1.74 116.94 117.83 2jxl h PHE 24 Ca 0.41 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.84 2jxl h PHE 24 Cb 0.09 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 2jxl h PHE 24 CO -0.01 0.00 0.20 0.22 -2.23 0.00 0.00 178.31 176.50 2jxl h ASP 25 N 0.00 1.09 -0.39 0.41 3.58 -0.98 -2.31 116.42 117.83 2jxl h ASP 25 Ca 0.00 -0.22 -0.09 0.00 0.42 0.00 0.00 57.03 57.14 2jxl h ASP 25 Cb 0.00 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 2jxl h ASP 25 CO -0.00 1.03 -0.08 0.40 -2.88 0.00 0.00 179.24 177.71 2jxl h ILE 26 N 1.10 1.26 0.28 2.25 5.03 -1.31 0.31 117.51 126.43 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 0.34 0.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.12 2jxl h ILE 26 CO -0.00 0.40 -0.14 -0.26 -0.68 0.00 0.00 178.15 177.47 2jxl h PHE 27 N 0.75 -0.35 -0.10 1.37 0.04 -1.33 -2.72 116.94 114.60 2jxl h PHE 27 Ca 0.13 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.89 2jxl h PHE 27 Cb 0.57 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2jxl h PHE 27 CO 0.03 -0.11 0.00 1.33 -0.60 0.00 0.00 178.31 178.96 2jxl n VAL 28 N -5.19 0.13 0.32 -0.55 0.24 -0.89 -3.87 118.33 108.52 2jxl n VAL 28 Ca -0.10 -0.20 0.21 0.00 -2.04 0.00 0.00 64.34 62.22 2jxl n VAL 28 Cb 0.22 0.08 1.08 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.04 -1.97 115.31 123.92 2jxl h LEU 29 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 2jxl h LEU 29 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2jxl h LEU 29 CO 0.00 0.00 -1.95 0.61 -4.11 0.00 0.00 178.44 172.99 2jxl n GLY 30 N -0.85 -0.92 3.77 0.17 0.00 -1.25 -4.99 105.19 101.12 2jxl n GLY 30 Ca -0.02 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.32 1.71 -0.09 4.61 0.00 -0.74 -5.01 121.76 118.92 2jxl s ALA 31 Ca -0.08 -0.43 0.12 0.00 0.00 0.00 0.00 51.96 51.58 2jxl s ALA 31 Cb 0.12 -3.06 -0.18 0.00 0.00 0.00 0.00 23.12 20.00 2jxl s ALA 31 CO 0.83 -2.29 0.14 -1.91 0.00 0.00 0.00 175.76 172.53 2jxl n GLU 32 N -3.78 1.37 -0.67 0.00 2.13 -1.26 -4.45 120.64 113.97 2jxl n GLU 32 Ca 0.06 -0.05 0.08 0.00 0.66 0.00 0.00 57.16 57.91 2jxl n GLU 32 Cb 0.58 -1.34 0.34 0.00 0.27 0.00 0.00 31.44 31.30 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 -2.31 4.86 -3.79 4.31 9.92 -1.26 -4.96 116.55 123.31 2jxl n ASP 33 Ca -0.15 -2.79 -0.23 0.00 -0.53 0.00 0.00 54.79 51.08 2jxl n ASP 33 Cb 0.73 -0.60 0.01 0.00 -0.64 0.00 0.00 41.12 40.63 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jxl n GLY 34 N 0.42 -0.32 3.42 0.44 0.00 -1.26 -4.98 105.19 102.91 2jxl n GLY 34 Ca 0.25 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.75 0.84 0.18 0.00 1.01 -1.02 -4.68 121.20 113.79 2jxl s ILE 36 Ca 0.31 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 2jxl s ILE 36 Cb 0.02 -1.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.21 2jxl s ILE 36 CO 0.15 -0.09 0.60 -0.94 0.00 0.00 0.00 174.94 174.66 2jxl s SER 37 N 1.72 6.85 0.55 3.58 1.04 -1.26 -1.81 113.70 124.37 2jxl s SER 37 Ca -0.01 1.15 0.32 0.00 0.48 0.00 0.00 55.95 57.88 2jxl s SER 37 Cb -0.17 -2.32 1.48 0.00 0.10 0.00 0.00 66.02 65.11 2jxl s SER 37 CO -0.07 0.05 1.87 0.00 0.98 0.00 0.00 173.24 176.07 2jxl h THR 38 N 2.65 0.50 -0.10 2.02 1.03 -1.96 0.30 112.91 117.35 2jxl h THR 38 Ca -0.48 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.19 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2jxl h THR 38 CO 0.66 0.00 0.04 0.50 -0.01 0.00 0.00 175.52 176.71 2jxl h LYS 39 N 0.00 0.15 0.15 0.00 3.64 -1.93 -2.16 116.57 116.42 2jxl h LYS 39 Ca 0.41 -0.03 -0.30 0.00 -1.27 0.00 0.00 60.65 59.45 2jxl h LYS 39 Cb 1.70 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 33.52 2jxl h LYS 39 CO -0.00 0.27 -1.29 0.93 -2.27 0.00 0.00 179.45 177.09 2jxl h GLU 40 N -0.00 0.57 -0.78 1.90 4.39 -1.37 -3.25 114.58 116.03 2jxl h GLU 40 Ca 0.03 -0.80 0.13 0.00 0.34 0.00 0.00 59.36 59.06 2jxl h GLU 40 Cb 0.18 0.28 -0.09 0.00 -0.10 0.00 0.00 28.75 29.02 2jxl h GLU 40 CO -0.00 1.37 0.36 1.25 -1.16 0.00 0.00 179.01 180.83 2jxl h LEU 41 N 0.23 0.41 -1.34 1.33 5.85 -0.51 0.90 115.31 122.18 2jxl h LEU 41 Ca -0.19 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2jxl h LEU 41 Cb 1.97 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.02 2jxl h LEU 41 CO 0.24 0.18 -0.32 1.23 -0.34 0.00 0.00 178.44 179.43 2jxl h GLY 42 N 0.55 0.00 0.46 3.75 0.00 -1.47 -3.02 103.07 103.34 2jxl h GLY 42 Ca 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2jxl h GLY 42 CO -0.36 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.59 2jxl h LYS 43 N 0.00 -0.25 -0.89 4.80 1.57 -0.90 -3.15 116.57 117.75 2jxl h LYS 43 Ca -0.00 0.02 0.25 0.00 -1.87 0.00 0.00 60.65 59.05 2jxl h LYS 43 Cb 0.61 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2jxl h LYS 43 CO 0.04 0.15 0.64 0.28 -0.57 0.00 0.00 179.45 179.99 2jxl h VAL 44 N -0.80 0.56 -0.90 0.50 2.07 -1.26 0.11 116.25 116.53 2jxl h VAL 44 Ca -0.03 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.70 2jxl h VAL 44 Cb 0.52 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2jxl h VAL 44 CO 0.04 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.48 2jxl h MET 45 N 0.02 0.33 -0.37 1.57 2.86 -1.48 0.26 114.93 118.12 2jxl h MET 45 Ca 0.42 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.07 2jxl h MET 45 Cb 1.66 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.23 2jxl h MET 45 CO -0.02 0.22 0.25 0.07 1.06 0.00 0.00 176.91 178.49 2jxl h ARG 46 N 0.34 0.41 -0.38 1.72 0.11 -0.08 -1.39 114.38 115.12 2jxl h ARG 46 Ca 0.46 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 60.43 2jxl h ARG 46 Cb 1.25 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.22 2jxl h ARG 46 CO -0.16 0.27 -0.14 0.52 0.10 0.00 0.00 179.97 180.57 2jxl h MET 47 N 0.43 0.68 0.00 0.08 2.86 -0.63 -2.40 114.93 115.95 2jxl h MET 47 Ca 0.15 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2jxl h MET 47 Cb 0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2jxl h MET 47 CO -0.03 0.79 -0.05 -0.07 1.06 0.00 0.00 176.91 178.61 2jxl h LEU 48 N 0.62 0.00 0.00 1.22 4.07 -1.25 -3.46 115.31 116.51 2jxl h LEU 48 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2jxl h LEU 48 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2jxl h LEU 48 CO 0.04 0.05 0.00 0.61 -1.08 0.00 0.00 178.44 178.06 2jxl n GLY 49 N 0.24 0.99 3.65 0.83 0.00 -0.90 -5.10 105.19 104.89 2jxl n GLY 49 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.30 2.37 -0.40 1.61 -0.21 -0.93 -4.97 119.66 116.83 2jxl s GLN 50 Ca 0.00 -0.98 0.09 0.00 0.02 0.00 0.00 55.36 54.49 2jxl s GLN 50 Cb 0.00 -2.41 0.28 0.00 1.00 0.00 0.00 33.01 31.88 2jxl s GLN 50 CO 0.00 0.50 0.60 0.27 -2.12 0.00 0.00 175.29 174.54 2jxl n ASN 51 N 0.38 0.56 -3.01 5.90 0.23 -1.26 -1.94 115.26 116.12 2jxl n ASN 51 Ca -0.11 -2.82 -0.14 0.00 -0.53 0.00 0.00 54.58 50.97 2jxl n ASN 51 Cb 0.53 -0.63 0.12 0.00 -2.08 0.00 0.00 39.78 37.72 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 1.04 -2.05 -3.35 -0.53 -0.04 -1.26 -5.03 135.00 123.78 2jxl n PRO 52 Ca 0.23 -0.83 -0.36 0.00 -0.04 0.00 0.00 63.50 62.49 2jxl n PRO 52 Cb 0.56 -0.78 -0.06 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.94 4.84 0.22 0.52 -1.32 -1.26 -5.00 115.64 111.70 2jxl s THR 53 Ca 0.34 0.92 -0.01 0.00 -1.21 0.00 0.00 61.69 61.73 2jxl s THR 53 Cb -0.03 -3.77 -0.01 0.00 -1.51 0.00 0.00 72.50 67.18 2jxl s THR 53 CO 0.26 0.34 1.58 1.55 -2.21 0.00 0.00 174.62 176.15 2jxl h PRO 54 N 3.88 0.53 -0.73 7.08 0.13 -1.95 -3.06 132.00 137.88 2jxl h PRO 54 Ca -0.49 -0.28 0.09 0.00 -0.87 0.00 0.00 66.00 64.44 2jxl h PRO 54 Cb 1.20 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2jxl h PRO 54 CO 0.65 0.86 0.48 0.93 -0.23 0.00 0.00 178.00 180.69 2jxl h GLU 55 N 0.43 0.66 -0.26 0.86 5.08 -1.96 -1.83 114.58 117.57 2jxl h GLU 55 Ca 0.03 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 2jxl h GLU 55 Cb 0.93 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 2jxl h GLU 55 CO 0.08 0.43 -0.12 1.49 -1.00 0.00 0.00 179.01 179.90 2jxl h GLU 56 N 0.68 0.53 0.24 2.33 4.57 -1.96 -2.58 114.58 118.38 2jxl h GLU 56 Ca 0.33 -0.23 0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2jxl h GLU 56 Cb 0.40 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 2jxl h GLU 56 CO -0.12 0.79 -0.31 -0.07 -1.18 0.00 0.00 179.01 178.13 2jxl h LEU 57 N 0.26 -0.84 -2.36 1.64 3.38 -1.36 -1.07 115.31 114.97 2jxl h LEU 57 Ca 0.06 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2jxl h LEU 57 Cb 0.62 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2jxl h LEU 57 CO 0.04 -0.42 0.10 -0.61 0.09 0.00 0.00 178.44 177.64 2jxl h GLN 58 N -0.60 0.00 0.42 1.13 4.15 -1.46 -1.89 115.11 116.87 2jxl h GLN 58 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2jxl h GLN 58 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2jxl h GLN 58 CO -0.10 0.00 -0.20 1.49 -1.93 0.00 0.00 178.83 178.08 2jxl h GLU 59 N 0.00 -0.55 -0.42 1.69 4.81 -0.77 -2.05 114.58 117.30 2jxl h GLU 59 Ca 0.04 0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.16 2jxl h GLU 59 Cb 0.25 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2jxl h GLU 59 CO -0.00 -0.35 -0.32 1.98 -0.73 0.00 0.00 179.01 179.59 2jxl h MET 60 N -0.60 0.95 -0.16 1.92 4.05 -1.25 -2.83 114.93 117.01 2jxl h MET 60 Ca -0.06 -0.47 0.05 0.00 -0.28 0.00 0.00 59.70 58.94 2jxl h MET 60 Cb 0.45 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2jxl h MET 60 CO 0.10 1.13 0.21 0.82 0.23 0.00 0.00 176.91 179.40 2jxl h ILE 61 N 0.79 0.39 0.35 1.77 2.04 -1.28 -0.63 117.51 120.93 2jxl h ILE 61 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 2jxl h ILE 61 Cb 0.91 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2jxl h ILE 61 CO 0.08 0.00 -0.17 -0.78 0.00 0.00 0.00 178.15 177.29 2jxl h ASP 62 N 0.00 -0.40 1.06 1.72 3.58 -1.10 0.30 116.42 121.58 2jxl h ASP 62 Ca 0.08 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2jxl h ASP 62 Cb 0.50 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 2jxl h ASP 62 CO -0.00 -0.05 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.92 2jxl h GLU 63 N -0.79 0.00 0.06 0.28 5.08 -1.49 -3.18 114.58 114.55 2jxl h GLU 63 Ca -0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2jxl h GLU 63 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jxl h GLU 63 CO 0.08 0.06 -0.50 0.28 -1.00 0.00 0.00 179.01 177.93 2jxl h VAL 64 N 0.00 1.58 -1.97 3.13 2.07 -1.04 -3.44 116.25 116.58 2jxl h VAL 64 Ca -0.00 -2.42 -0.52 0.00 0.82 0.00 0.00 66.70 64.59 2jxl h VAL 64 Cb 0.61 3.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.57 2jxl h VAL 64 CO 0.01 0.64 1.47 -0.62 0.02 0.00 0.00 177.57 179.09 2jxl s ASP 65 N -6.61 5.10 0.42 0.57 -1.08 0.10 -4.82 116.67 110.35 2jxl s ASP 65 Ca -0.18 1.10 0.11 0.00 -0.52 0.00 0.00 52.55 53.06 2jxl s ASP 65 Cb -0.00 -2.51 0.92 0.00 -1.46 0.00 0.00 42.92 39.86 2jxl s ASP 65 CO 0.74 -2.37 2.00 1.05 0.52 0.00 0.00 175.17 177.12 2jxl h GLU 66 N 16.38 0.24 -0.00 4.34 -0.00 -1.84 -1.74 114.58 131.96 2jxl h GLU 66 Ca -0.30 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.03 2jxl h GLU 66 Cb 1.22 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.92 2jxl h GLU 66 CO 1.11 0.28 -0.66 -0.40 -0.00 0.00 0.00 179.01 179.34 2jxl n ASP 67 N -4.38 1.15 -3.95 3.06 5.68 -1.26 -4.97 116.55 111.88 2jxl n ASP 67 Ca -0.00 -0.95 -0.31 0.00 -0.50 0.00 0.00 54.79 53.03 2jxl n ASP 67 Cb 0.18 0.59 0.02 0.00 -1.14 0.00 0.00 41.12 40.78 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 0.22 6.12 0.00 -0.65 -4.85 105.19 107.00 2jxl n GLY 68 Ca 0.07 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.03 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.37 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 0.68 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 2jxl n GLY 70 N 0.73 1.18 3.30 -0.77 0.00 -1.26 -5.10 105.19 103.27 2jxl n GLY 70 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.07 -0.23 2.61 -4.23 -1.26 -4.47 115.64 106.13 2jxl s THR 71 Ca 0.00 -0.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.84 2jxl s THR 71 Cb 0.00 -1.03 -0.05 0.00 1.34 0.00 0.00 72.50 72.76 2jxl s THR 71 CO 0.00 -0.31 0.19 -0.69 -0.54 0.00 0.00 174.62 173.27 2jxl s VAL 72 N -2.94 5.34 0.00 2.29 1.01 -0.75 -4.82 120.40 120.54 2jxl s VAL 72 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2jxl s VAL 72 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2jxl s VAL 72 CO -0.06 0.35 0.00 0.47 0.00 0.00 0.00 175.10 175.86 2jxl n ASP 73 N 4.20 0.00 -0.03 3.32 8.00 -1.26 -2.43 116.55 128.35 2jxl n ASP 73 Ca -0.14 -0.98 -0.10 0.00 0.71 0.00 0.00 54.79 54.28 2jxl n ASP 73 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.67 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jxl h PHE 74 N -0.11 0.80 -0.14 1.24 3.57 -1.98 0.33 116.94 120.65 2jxl h PHE 74 Ca 0.00 -0.26 -0.16 0.00 3.53 0.00 0.00 57.97 61.08 2jxl h PHE 74 Cb 0.00 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 2jxl h PHE 74 CO 0.00 1.00 -0.58 -0.44 -2.23 0.00 0.00 178.31 176.07 2jxl h ASP 75 N 0.52 0.50 0.58 0.41 3.32 -1.99 -1.77 116.42 117.98 2jxl h ASP 75 Ca 0.03 -0.28 -0.28 0.00 0.02 0.00 0.00 57.03 56.52 2jxl h ASP 75 Cb 1.02 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2jxl h ASP 75 CO 0.10 0.97 -1.37 -0.33 -1.72 0.00 0.00 179.24 176.88 2jxl h GLU 76 N 0.34 0.23 -0.42 3.56 5.08 -1.89 -3.09 114.58 118.38 2jxl h GLU 76 Ca -0.00 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.84 2jxl h GLU 76 Cb 1.11 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2jxl h GLU 76 CO 0.10 1.12 -0.27 2.35 -1.00 0.00 0.00 179.01 181.31 2jxl h TRP 77 N 0.06 1.05 0.01 4.33 7.01 -0.33 -1.96 115.95 126.11 2jxl h TRP 77 Ca -0.18 -0.27 -0.00 0.00 2.11 0.00 0.00 58.89 60.55 2jxl h TRP 77 Cb 1.98 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 28.80 2jxl h TRP 77 CO 0.05 1.07 -0.00 1.25 -2.79 0.00 0.00 178.44 178.02 2jxl h LEU 78 N 0.77 -0.01 -2.02 0.65 6.46 -1.43 -2.90 115.31 116.83 2jxl h LEU 78 Ca 0.09 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2jxl h LEU 78 Cb 0.83 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 2jxl h LEU 78 CO 0.07 0.31 -0.07 1.62 -0.62 0.00 0.00 178.44 179.75 2jxl h VAL 79 N -0.32 0.82 -0.05 1.05 3.04 -1.55 -2.69 116.25 116.54 2jxl h VAL 79 Ca -0.00 -0.27 0.03 0.00 -1.01 0.00 0.00 66.70 65.45 2jxl h VAL 79 Cb 0.32 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 30.72 2jxl h VAL 79 CO 0.00 0.07 -0.12 -0.03 -1.01 0.00 0.00 177.57 176.48 2jxl h MET 80 N 0.00 -0.17 -0.22 4.17 1.85 -1.14 -1.07 114.93 118.35 2jxl h MET 80 Ca -0.00 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.05 2jxl h MET 80 Cb 0.15 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.21 2jxl h MET 80 CO 0.01 -0.12 -0.06 1.98 -0.40 0.00 0.00 176.91 178.33 2jxl h MET 81 N -0.18 0.43 -0.42 0.39 -1.53 -1.50 -2.81 114.93 109.31 2jxl h MET 81 Ca 0.06 -0.17 0.12 0.00 -3.44 0.00 0.00 59.70 56.28 2jxl h MET 81 Cb 0.27 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.28 2jxl h MET 81 CO -0.16 0.67 0.39 0.00 0.14 0.00 0.00 176.91 177.95 2jxl h ALA 82 N 0.74 2.19 0.00 0.39 0.00 -1.26 0.25 119.26 121.58 2jxl h ALA 82 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jxl h ALA 82 Cb 0.52 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jxl h ALA 82 CO 0.02 -0.61 -0.05 -0.09 0.00 0.00 0.00 179.25 178.53 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -0.92 -0.89 114.38 115.00 2jxl h ARG 83 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2jxl h ARG 83 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2jxl h ARG 83 CO -0.00 0.05 0.00 0.00 -1.51 0.00 0.00 179.97 178.51 2jxl h MET 85 N 0.00 0.00 -6.96 0.00 -0.00 -1.29 -3.47 114.93 103.21 2jxl h MET 85 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 59.70 59.11 2jxl h MET 85 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 31.60 31.92 2jxl h MET 85 CO 0.00 0.44 -0.95 1.17 -0.00 0.00 0.00 176.91 177.57 2jxl n LYS 86 N -3.26 -1.44 -2.20 -0.10 3.00 -0.95 -4.76 118.16 108.45 2jxl n LYS 86 Ca 0.02 0.16 -0.31 0.00 -0.00 0.00 0.00 58.31 58.17 2jxl n LYS 86 Cb 0.68 -3.77 -0.04 0.00 0.00 0.00 0.00 35.03 31.90 2jxl n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2jxl s ASP 87 N -4.37 5.53 -0.38 3.14 2.15 -1.26 -4.93 116.67 116.55 2jxl s ASP 87 Ca 0.01 -1.15 -0.16 0.00 0.43 0.00 0.00 52.55 51.68 2jxl s ASP 87 Cb -0.01 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 2jxl s ASP 87 CO 0.97 -2.43 0.39 -0.62 -0.17 0.00 0.00 175.17 173.31 2jxl s ASP 88 N 6.83 6.18 0.00 -0.34 -1.08 -1.26 -4.83 116.67 122.16 2jxl s ASP 88 Ca 0.63 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 2jxl s ASP 88 Cb -0.03 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2jxl s ASP 88 CO 0.00 -0.45 0.00 -1.20 0.52 0.00 0.00 175.17 174.05