#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 4.52 0.55 3.17 1.11 -1.26 -4.97 116.67 119.80 2jxl s ASP 2 Ca 0.00 -1.67 0.29 0.00 0.18 0.00 0.00 52.55 51.35 2jxl s ASP 2 Cb 0.00 -1.54 1.62 0.00 1.07 0.00 0.00 42.92 44.07 2jxl s ASP 2 CO 0.00 -0.27 2.14 -2.24 1.18 0.00 0.00 175.17 175.99 2jxl h ASP 3 N 7.73 0.00 -0.05 0.27 2.03 -2.06 -1.98 116.42 122.36 2jxl h ASP 3 Ca -0.13 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.16 2jxl h ASP 3 Cb 1.03 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.53 2jxl h ASP 3 CO 0.48 0.07 0.02 -0.29 -1.03 0.00 0.00 179.24 178.50 2jxl h ILE 4 N 0.00 1.04 0.06 4.15 2.10 -2.00 -1.17 117.51 121.68 2jxl h ILE 4 Ca -0.00 -0.12 -0.28 0.00 1.08 0.00 0.00 64.86 65.54 2jxl h ILE 4 Cb 0.22 0.96 -0.02 0.00 -1.09 0.00 0.00 36.82 36.88 2jxl h ILE 4 CO 0.01 0.04 -1.46 1.88 -1.08 0.00 0.00 178.15 177.54 2jxl h TYR 5 N 0.10 0.23 -0.24 2.19 0.05 -1.76 -3.27 116.97 114.27 2jxl h TYR 5 Ca 0.03 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.55 2jxl h TYR 5 Cb 0.03 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2jxl h TYR 5 CO 0.00 1.20 -0.24 0.87 -1.05 0.00 0.00 178.16 178.94 2jxl h LYS 6 N 0.03 0.45 -0.41 4.88 1.79 -1.30 0.29 116.57 122.30 2jxl h LYS 6 Ca -0.20 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 57.97 2jxl h LYS 6 Cb 1.96 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.56 2jxl h LYS 6 CO 0.13 0.66 -0.28 0.00 -1.08 0.00 0.00 179.45 178.89 2jxl h ALA 7 N 1.35 0.74 0.19 3.86 0.00 -1.35 0.21 119.26 124.27 2jxl h ALA 7 Ca 0.06 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 2jxl h ALA 7 Cb 0.64 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2jxl h ALA 7 CO 0.05 0.66 -1.41 0.00 0.00 0.00 0.00 179.25 178.54 2jxl h ALA 8 N 0.94 -0.00 -0.00 0.00 0.00 -1.56 -3.16 119.26 115.48 2jxl h ALA 8 Ca 0.09 -0.91 -0.12 0.00 0.00 0.00 0.00 54.91 53.97 2jxl h ALA 8 Cb 0.83 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2jxl h ALA 8 CO 0.07 0.87 -0.55 -0.24 0.00 0.00 0.00 179.25 179.40 2jxl h VAL 9 N 0.11 1.39 0.00 0.00 3.04 -0.42 -2.92 116.25 117.45 2jxl h VAL 9 Ca -0.21 -1.88 -0.13 0.00 -1.01 0.00 0.00 66.70 63.47 2jxl h VAL 9 Cb 2.08 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 33.35 2jxl h VAL 9 CO 0.23 0.54 -0.61 -0.33 -1.01 0.00 0.00 177.57 176.39 2jxl h GLU 10 N 0.00 0.00 -0.34 4.17 4.39 -1.03 -2.73 114.58 119.04 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 0.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 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 -3.80 1.77 -1.08 2.33 10.64 -1.11 -4.91 117.38 121.22 2jxl n GLN 11 Ca -0.01 -1.14 -0.30 0.00 -1.83 0.00 0.00 57.00 53.72 2jxl n GLN 11 Cb 0.61 -1.27 0.25 0.00 -0.86 0.00 0.00 30.24 28.96 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 0.63 0.48 2.61 1.43 -1.03 -5.04 118.68 116.75 2jxl s LEU 12 Ca 0.21 0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 2jxl s LEU 12 Cb 0.11 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2jxl s LEU 12 CO 0.14 -4.21 0.81 0.42 0.23 0.00 0.00 176.35 173.74 2jxl s THR 13 N -3.02 4.85 0.27 5.49 -4.23 -1.26 -4.93 115.64 112.82 2jxl s THR 13 Ca 0.71 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 2jxl s THR 13 Cb -0.09 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 70.15 2jxl s THR 13 CO 0.56 -0.80 1.91 -0.33 -0.54 0.00 0.00 174.62 175.42 2jxl h GLU 14 N 0.43 1.11 -0.24 3.99 5.08 -1.99 -1.12 114.58 121.85 2jxl h GLU 14 Ca -0.47 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 2jxl h GLU 14 Cb 1.20 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2jxl h GLU 14 CO 0.62 0.80 -0.02 0.93 -1.00 0.00 0.00 179.01 180.34 2jxl h GLU 15 N 1.12 0.44 0.34 2.33 4.39 -1.97 0.21 114.58 121.44 2jxl h GLU 15 Ca 0.29 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2jxl h GLU 15 Cb -0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jxl h GLU 15 CO -0.05 0.63 -0.16 1.96 -1.16 0.00 0.00 179.01 180.23 2jxl h GLN 16 N 0.20 -0.44 -0.73 2.33 1.08 -1.88 0.64 115.11 116.30 2jxl h GLN 16 Ca 0.07 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2jxl h GLN 16 Cb 0.45 0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 2jxl h GLN 16 CO 0.02 -0.27 0.39 0.87 -0.95 0.00 0.00 178.83 178.89 2jxl h LYS 17 N -0.49 1.01 -0.10 1.46 1.79 -1.24 -1.93 116.57 117.08 2jxl h LYS 17 Ca -0.05 -0.11 -0.09 0.00 -2.18 0.00 0.00 60.65 58.22 2jxl h LYS 17 Cb 0.37 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 2jxl h LYS 17 CO 0.08 0.75 -0.34 -0.91 -1.08 0.00 0.00 179.45 177.95 2jxl h ASN 18 N 1.02 0.20 -0.44 0.86 2.35 -0.70 -2.86 115.58 116.01 2jxl h ASN 18 Ca 0.26 -0.07 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 2jxl h ASN 18 Cb 0.04 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jxl h ASN 18 CO -0.04 0.53 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.76 2jxl h GLU 19 N 0.17 0.89 0.00 0.81 5.08 -0.10 -1.95 114.58 119.47 2jxl h GLU 19 Ca 0.02 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 57.97 2jxl h GLU 19 Cb 0.69 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2jxl h GLU 19 CO 0.05 1.02 -0.15 0.74 -1.00 0.00 0.00 179.01 179.67 2jxl h PHE 20 N 0.72 0.00 0.15 4.33 0.04 -1.27 0.27 116.94 121.18 2jxl h PHE 20 Ca 0.10 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.58 2jxl h PHE 20 Cb 0.74 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.90 2jxl h PHE 20 CO 0.05 0.15 -1.37 -0.22 -0.60 0.00 0.00 178.31 176.33 2jxl h LYS 21 N 0.00 0.32 0.00 1.51 3.64 -1.27 -2.97 116.57 117.80 2jxl h LYS 21 Ca -0.00 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 2jxl h LYS 21 Cb 0.41 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2jxl h LYS 21 CO 0.02 1.24 -0.09 0.00 -2.27 0.00 0.00 179.45 178.35 2jxl h ALA 22 N 0.47 0.01 -0.97 5.00 0.00 -0.98 -3.26 119.26 119.53 2jxl h ALA 22 Ca -0.19 -0.33 0.14 0.00 0.00 0.00 0.00 54.91 54.53 2jxl h ALA 22 Cb 2.03 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.80 2jxl h ALA 22 CO 0.21 0.06 0.61 0.00 0.00 0.00 0.00 179.25 180.13 2jxl h ALA 23 N -0.48 1.65 0.00 0.00 0.00 -0.65 0.14 119.26 119.92 2jxl h ALA 23 Ca -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jxl h ALA 23 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jxl h ALA 23 CO -0.01 0.09 -0.09 0.35 0.00 0.00 0.00 179.25 179.58 2jxl h PHE 24 N 0.86 0.00 -0.53 0.00 3.04 -1.65 -2.28 116.94 116.38 2jxl h PHE 24 Ca 0.49 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.38 2jxl h PHE 24 Cb 0.62 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 2jxl h PHE 24 CO -0.00 0.09 0.09 0.22 -2.02 0.00 0.00 178.31 176.69 2jxl h ASP 25 N 0.00 0.84 -0.54 0.41 3.58 -0.75 -2.04 116.42 117.92 2jxl h ASP 25 Ca -0.00 -0.26 -0.09 0.00 0.42 0.00 0.00 57.03 57.10 2jxl h ASP 25 Cb 0.18 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 2jxl h ASP 25 CO 0.01 0.88 -0.02 0.40 -2.88 0.00 0.00 179.24 177.63 2jxl h ILE 26 N 0.76 1.26 0.18 2.25 5.03 -1.34 0.26 117.51 125.90 2jxl h ILE 26 Ca 0.16 -1.15 -0.01 0.00 -0.12 0.00 0.00 64.86 63.74 2jxl h ILE 26 Cb 0.40 0.85 0.00 0.00 -3.03 0.00 0.00 36.82 35.04 2jxl h ILE 26 CO 0.01 0.41 -0.08 -0.26 -0.68 0.00 0.00 178.15 177.55 2jxl h PHE 27 N 0.91 -0.22 -0.08 1.37 -1.00 -1.32 -2.54 116.94 114.05 2jxl h PHE 27 Ca 0.16 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.94 2jxl h PHE 27 Cb 0.56 0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.19 2jxl h PHE 27 CO 0.04 -0.04 0.00 1.33 -1.61 0.00 0.00 178.31 178.03 2jxl n VAL 28 N -5.14 0.10 0.30 -0.55 0.24 -0.78 -3.79 118.33 108.71 2jxl n VAL 28 Ca -0.09 -0.17 0.19 0.00 -2.04 0.00 0.00 64.34 62.23 2jxl n VAL 28 Cb 0.16 0.03 0.93 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.02 -2.19 115.31 123.63 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 0.24 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.45 2jxl h LEU 29 CO 0.00 0.02 -1.60 0.61 -4.11 0.00 0.00 178.44 173.37 2jxl n GLY 30 N -0.62 -1.19 1.17 0.17 0.00 -1.25 -4.96 105.19 98.52 2jxl n GLY 30 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2jxl n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl n ALA 31 N -2.26 -0.86 -0.04 4.61 0.00 -0.82 -5.06 120.51 116.07 2jxl n ALA 31 Ca -0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.79 2jxl n ALA 31 Cb 0.61 -0.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.31 0.34 0.08 0.00 1.02 -1.26 -4.70 120.64 113.80 2jxl n GLU 32 Ca 0.05 0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 2jxl n GLU 32 Cb 0.19 -1.10 0.06 0.00 -0.02 0.00 0.00 31.44 30.57 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jxl h ASP 33 N -0.64 0.29 0.00 1.62 5.19 -1.97 -3.47 116.42 117.43 2jxl h ASP 33 Ca -0.03 -0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2jxl h ASP 33 Cb 0.69 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2jxl h ASP 33 CO -0.02 0.91 0.00 0.61 -3.12 0.00 0.00 179.24 177.62 2jxl n GLY 34 N 0.52 0.98 3.27 2.75 0.00 -1.26 -5.16 105.19 106.28 2jxl n GLY 34 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 1.84 0.14 0.00 1.01 -1.11 -4.53 121.20 114.83 2jxl s ILE 36 Ca 0.39 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 2jxl s ILE 36 Cb 0.04 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.52 2jxl s ILE 36 CO 0.21 0.12 0.55 -0.55 0.00 0.00 0.00 174.94 175.26 2jxl s SER 37 N 1.29 6.83 0.55 3.58 0.15 -1.26 -1.96 113.70 122.88 2jxl s SER 37 Ca -0.04 1.08 0.31 0.00 0.70 0.00 0.00 55.95 58.01 2jxl s SER 37 Cb -0.17 -2.29 1.47 0.00 -1.71 0.00 0.00 66.02 63.32 2jxl s SER 37 CO -0.08 0.12 1.86 0.00 1.20 0.00 0.00 173.24 176.34 2jxl h THR 38 N 2.85 0.47 -0.08 6.45 1.03 -1.95 0.33 112.91 122.01 2jxl h THR 38 Ca -0.49 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.19 0.53 -0.00 0.00 -1.07 0.00 0.00 68.15 68.80 2jxl h THR 38 CO 0.66 0.00 0.02 0.11 -0.01 0.00 0.00 175.52 176.30 2jxl h LYS 39 N 0.00 0.13 0.15 0.00 1.57 -1.92 -2.46 116.57 114.04 2jxl h LYS 39 Ca 0.39 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.84 2jxl h LYS 39 Cb 1.69 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 34.02 2jxl h LYS 39 CO -0.00 0.30 -1.29 1.49 -0.57 0.00 0.00 179.45 179.37 2jxl h GLU 40 N -0.06 0.61 -0.99 3.15 4.57 -1.36 -3.28 114.58 117.21 2jxl h GLU 40 Ca 0.03 -0.85 0.19 0.00 -1.18 0.00 0.00 59.36 57.55 2jxl h GLU 40 Cb 0.22 0.29 -0.10 0.00 -0.16 0.00 0.00 28.75 29.00 2jxl h GLU 40 CO -0.00 1.39 0.61 1.25 -1.18 0.00 0.00 179.01 181.09 2jxl h LEU 41 N 0.25 0.73 -1.61 1.64 5.85 -0.47 0.13 115.31 121.83 2jxl h LEU 41 Ca -0.20 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2jxl h LEU 41 Cb 1.97 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 2jxl h LEU 41 CO 0.25 0.27 0.37 1.23 -0.34 0.00 0.00 178.44 180.22 2jxl h GLY 42 N 0.72 0.60 0.46 3.75 0.00 -1.50 -2.17 103.07 104.93 2jxl h GLY 42 Ca 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2jxl h GLY 42 CO -0.34 0.13 -0.11 0.50 0.00 0.00 0.00 176.54 176.72 2jxl h LYS 43 N 0.46 -0.30 -0.89 4.80 6.56 -0.90 -3.16 116.57 123.14 2jxl h LYS 43 Ca 0.25 0.02 0.25 0.00 -1.06 0.00 0.00 60.65 60.11 2jxl h LYS 43 Cb 0.38 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 2jxl h LYS 43 CO -0.07 0.08 0.64 0.28 -2.06 0.00 0.00 179.45 178.31 2jxl h VAL 44 N -0.85 0.56 -0.76 0.50 2.07 -1.25 0.17 116.25 116.69 2jxl h VAL 44 Ca -0.03 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.70 2jxl h VAL 44 Cb 0.51 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2jxl h VAL 44 CO 0.05 0.01 0.57 0.24 0.02 0.00 0.00 177.57 178.46 2jxl h MET 45 N 0.04 0.00 -0.39 1.57 2.86 -1.36 0.25 114.93 117.90 2jxl h MET 45 Ca 0.43 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.06 2jxl h MET 45 Cb 1.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 2jxl h MET 45 CO -0.02 0.00 0.19 0.07 1.06 0.00 0.00 176.91 178.21 2jxl h ARG 46 N 0.00 0.53 -0.41 1.72 0.11 -0.56 -1.99 114.38 113.78 2jxl h ARG 46 Ca 0.36 -0.05 -0.11 0.00 0.10 0.00 0.00 59.98 60.28 2jxl h ARG 46 Cb 1.49 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.45 2jxl h ARG 46 CO -0.00 0.41 -0.18 0.52 0.10 0.00 0.00 179.97 180.82 2jxl h MET 47 N 0.54 0.79 0.00 0.08 2.86 -0.66 -2.61 114.93 115.93 2jxl h MET 47 Ca 0.14 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2jxl h MET 47 Cb 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2jxl h MET 47 CO -0.02 0.91 -0.18 -0.07 1.06 0.00 0.00 176.91 178.62 2jxl h LEU 48 N 0.70 0.00 0.00 1.22 -0.00 -1.38 -3.46 115.31 112.39 2jxl h LEU 48 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2jxl h LEU 48 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2jxl h LEU 48 CO 0.05 0.18 0.00 0.61 -0.00 0.00 0.00 178.44 179.28 2jxl n GLY 49 N -0.14 1.20 3.19 0.83 0.00 -0.98 -5.11 105.19 104.18 2jxl n GLY 49 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 0.90 -0.40 1.61 -0.21 -0.90 -5.02 119.66 115.25 2jxl s GLN 50 Ca 0.00 -1.20 0.08 0.00 0.02 0.00 0.00 55.36 54.27 2jxl s GLN 50 Cb 0.00 -0.61 0.27 0.00 1.00 0.00 0.00 33.01 33.67 2jxl s GLN 50 CO 0.00 0.10 0.61 0.09 -2.12 0.00 0.00 175.29 173.97 2jxl n ASN 51 N 0.50 -0.10 -4.69 5.90 3.02 -1.26 -3.01 115.26 115.61 2jxl n ASN 51 Ca -0.15 -2.83 -0.29 0.00 -0.03 0.00 0.00 54.58 51.27 2jxl n ASN 51 Cb 0.58 -0.31 0.16 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.16 0.69 0.85 3.52 0.04 -1.26 -5.01 135.00 132.66 2jxl s PRO 52 Ca 0.35 0.61 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 2jxl s PRO 52 Cb 0.21 -1.76 0.11 0.00 0.04 0.00 0.00 34.50 33.10 2jxl s PRO 52 CO -0.12 -2.58 1.13 0.95 0.04 0.00 0.00 177.00 176.42 2jxl s THR 53 N -2.96 2.57 0.01 1.26 -4.23 -1.26 -4.97 115.64 106.07 2jxl s THR 53 Ca 0.65 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 61.12 2jxl s THR 53 Cb -0.18 -2.42 -0.18 0.00 1.34 0.00 0.00 72.50 71.06 2jxl s THR 53 CO 0.57 -0.24 1.30 1.55 -0.54 0.00 0.00 174.62 177.27 2jxl h PRO 54 N -1.50 0.17 -0.13 3.99 0.13 -1.96 -3.13 132.00 129.57 2jxl h PRO 54 Ca -0.43 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2jxl h PRO 54 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2jxl h PRO 54 CO 0.46 0.61 0.07 0.93 -0.23 0.00 0.00 178.00 179.83 2jxl h GLU 55 N -0.26 0.17 -0.07 0.86 5.08 -1.98 -1.21 114.58 117.17 2jxl h GLU 55 Ca 0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2jxl h GLU 55 Cb 0.58 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jxl h GLU 55 CO 0.02 0.13 -0.25 0.93 -1.00 0.00 0.00 179.01 178.84 2jxl h GLU 56 N 0.18 0.12 0.33 2.33 5.08 -1.93 -2.39 114.58 118.30 2jxl h GLU 56 Ca 0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 56 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jxl h GLU 56 CO -0.01 0.37 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.14 2jxl h LEU 57 N 0.11 -0.37 -2.43 1.33 4.07 -1.18 -3.00 115.31 113.84 2jxl h LEU 57 Ca 0.02 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.82 2jxl h LEU 57 Cb 0.50 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 2jxl h LEU 57 CO 0.04 0.02 0.06 -0.61 -1.08 0.00 0.00 178.44 176.86 2jxl h GLN 58 N -0.82 0.00 0.46 1.13 5.75 -1.48 -2.07 115.11 118.07 2jxl h GLN 58 Ca -0.04 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2jxl h GLN 58 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2jxl h GLN 58 CO 0.07 0.00 -0.22 0.93 -2.65 0.00 0.00 178.83 176.96 2jxl h GLU 59 N 0.00 -0.59 -0.19 1.69 4.39 -1.28 0.14 114.58 118.73 2jxl h GLU 59 Ca 0.02 0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.64 2jxl h GLU 59 Cb 0.14 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2jxl h GLU 59 CO -0.00 -0.39 -0.42 0.52 -1.16 0.00 0.00 179.01 177.56 2jxl h MET 60 N -0.62 0.45 0.00 2.33 2.86 -1.43 -2.73 114.93 115.79 2jxl h MET 60 Ca -0.06 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2jxl h MET 60 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2jxl h MET 60 CO 0.10 0.79 -0.10 0.82 1.06 0.00 0.00 176.91 179.58 2jxl h ILE 61 N 0.37 0.36 0.01 -1.22 2.04 -1.21 -2.40 117.51 115.46 2jxl h ILE 61 Ca 0.03 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2jxl h ILE 61 Cb 0.89 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2jxl h ILE 61 CO 0.08 0.10 -0.00 -0.78 0.00 0.00 0.00 178.15 177.54 2jxl h ASP 62 N 0.00 -0.01 0.92 1.72 1.82 -0.64 0.32 116.42 120.55 2jxl h ASP 62 Ca -0.00 -0.36 -0.05 0.00 -0.39 0.00 0.00 57.03 56.24 2jxl h ASP 62 Cb 0.44 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 2jxl h ASP 62 CO 0.01 0.35 -0.22 -0.08 -1.61 0.00 0.00 179.24 177.70 2jxl h GLU 63 N -0.38 0.00 0.00 0.28 4.22 -1.58 -3.25 114.58 113.87 2jxl h GLU 63 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 2jxl h GLU 63 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jxl h GLU 63 CO 0.00 0.22 -0.12 0.28 -2.18 0.00 0.00 179.01 177.21 2jxl h VAL 64 N 0.00 1.24 -1.94 0.32 2.07 -1.31 -3.43 116.25 113.19 2jxl h VAL 64 Ca -0.00 -1.97 -0.52 0.00 0.82 0.00 0.00 66.70 65.03 2jxl h VAL 64 Cb 0.74 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2jxl h VAL 64 CO 0.03 0.42 1.49 -0.62 0.02 0.00 0.00 177.57 178.91 2jxl s ASP 65 N -6.10 5.06 0.26 0.57 -1.08 0.11 -4.83 116.67 110.67 2jxl s ASP 65 Ca -0.15 1.14 -0.02 0.00 -0.52 0.00 0.00 52.55 52.99 2jxl s ASP 65 Cb -0.01 -2.51 0.34 0.00 -1.46 0.00 0.00 42.92 39.28 2jxl s ASP 65 CO 0.50 -2.39 1.79 1.05 0.52 0.00 0.00 175.17 176.65 2jxl h GLU 66 N 16.57 0.87 -0.00 4.34 -0.00 -1.84 -2.67 114.58 131.85 2jxl h GLU 66 Ca -0.30 -0.19 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2jxl h GLU 66 Cb 1.22 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2jxl h GLU 66 CO 1.11 0.80 -0.71 -0.40 -0.00 0.00 0.00 179.01 179.81 2jxl n ASP 67 N -4.25 1.17 -3.85 3.06 5.68 -1.26 -4.92 116.55 112.17 2jxl n ASP 67 Ca 0.04 -0.98 -0.25 0.00 -0.50 0.00 0.00 54.79 53.09 2jxl n ASP 67 Cb 0.25 0.65 0.01 0.00 -1.14 0.00 0.00 41.12 40.89 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 -0.32 0.00 6.12 0.00 -1.01 -4.83 105.19 106.62 2jxl n GLY 68 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.97 0.00 0.00 1.61 3.41 -1.26 -4.85 113.62 109.56 2jxl n SER 69 Ca -0.21 -0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2jxl n SER 69 Cb 0.64 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.90 0.31 3.35 5.00 0.00 -1.26 -5.06 105.19 108.43 2jxl n GLY 70 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.12 2.61 -4.23 -1.26 -4.06 115.64 106.58 2jxl s THR 71 Ca 0.00 -1.77 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 2jxl s THR 71 Cb 0.00 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 2jxl s THR 71 CO 0.00 0.00 0.05 0.54 -0.54 0.00 0.00 174.62 174.67 2jxl s VAL 72 N -4.07 4.76 0.36 2.29 0.11 -0.83 -4.81 120.40 118.20 2jxl s VAL 72 Ca 0.33 -0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.38 2jxl s VAL 72 Cb 0.04 -3.06 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2jxl s VAL 72 CO 0.11 0.57 0.33 -0.62 -3.33 0.00 0.00 175.10 172.16 2jxl s ASP 73 N -0.59 5.26 0.39 3.54 2.15 -1.26 -2.76 116.67 123.39 2jxl s ASP 73 Ca 0.11 -0.55 0.16 0.00 0.43 0.00 0.00 52.55 52.70 2jxl s ASP 73 Cb -0.12 -0.87 1.03 0.00 -0.30 0.00 0.00 42.92 42.66 2jxl s ASP 73 CO 0.02 -0.44 1.82 0.15 -0.17 0.00 0.00 175.17 176.55 2jxl h PHE 74 N 1.16 0.66 0.84 -5.34 3.57 -1.97 0.46 116.94 116.33 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 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.81 2jxl h PHE 74 CO 0.52 0.14 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.90 2jxl h ASP 75 N 0.47 -0.95 0.26 0.41 5.19 -1.99 -1.57 116.42 118.23 2jxl h ASP 75 Ca 0.52 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.94 2jxl h ASP 75 Cb 1.22 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.97 2jxl h ASP 75 CO -0.24 -0.60 -0.12 -0.33 -3.12 0.00 0.00 179.24 174.83 2jxl h GLU 76 N -1.30 0.00 -0.24 3.56 5.08 -1.74 -2.15 114.58 117.80 2jxl h GLU 76 Ca -0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2jxl h GLU 76 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2jxl h GLU 76 CO 0.19 0.12 -0.37 2.35 -1.00 0.00 0.00 179.01 180.30 2jxl h TRP 77 N 0.00 0.63 -0.02 4.33 7.01 0.03 -2.01 115.95 125.92 2jxl h TRP 77 Ca -0.00 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 2jxl h TRP 77 Cb 0.29 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 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 0.45 0.05 -1.72 0.65 3.38 -0.61 -3.09 115.31 114.43 2jxl h LEU 78 Ca 0.04 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2jxl h LEU 78 Cb 0.85 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2jxl h LEU 78 CO 0.07 0.48 -0.09 -0.37 0.09 0.00 0.00 178.44 178.62 2jxl h VAL 79 N -0.37 1.09 -0.78 1.22 -1.51 -1.52 -2.61 116.25 111.78 2jxl h VAL 79 Ca 0.01 -0.42 0.15 0.00 -1.23 0.00 0.00 66.70 65.20 2jxl h VAL 79 Cb 0.46 1.16 -0.10 0.00 -2.13 0.00 0.00 31.29 30.68 2jxl h VAL 79 CO 0.00 0.13 0.33 -0.03 -1.23 0.00 0.00 177.57 176.77 2jxl h MET 80 N 0.07 0.46 -0.29 5.19 -1.53 -1.27 -1.00 114.93 116.56 2jxl h MET 80 Ca 0.02 -0.03 -0.06 0.00 -3.44 0.00 0.00 59.70 56.18 2jxl h MET 80 Cb 0.20 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 2jxl h MET 80 CO 0.01 0.30 -0.07 1.98 0.14 0.00 0.00 176.91 179.27 2jxl h MET 81 N 0.47 0.56 -0.52 0.39 -1.53 -1.54 -2.88 114.93 109.88 2jxl h MET 81 Ca 0.43 -0.21 0.12 0.00 -3.44 0.00 0.00 59.70 56.60 2jxl h MET 81 Cb 0.66 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.66 2jxl h MET 81 CO -0.41 0.76 0.36 0.00 0.14 0.00 0.00 176.91 177.77 2jxl h ALA 82 N 0.78 2.29 0.00 0.39 0.00 -1.22 0.15 119.26 121.65 2jxl h ALA 82 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jxl h ALA 82 Cb 0.55 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jxl h ALA 82 CO 0.03 -0.43 -0.06 -0.09 0.00 0.00 0.00 179.25 178.70 2jxl h ARG 83 N 0.15 0.00 0.00 0.00 2.43 -1.03 -0.68 114.38 115.25 2jxl h ARG 83 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jxl h ARG 83 Cb 0.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2jxl h ARG 83 CO -0.03 0.06 0.00 0.00 -1.51 0.00 0.00 179.97 178.49 2jxl h MET 85 N 0.00 0.00 0.00 0.00 -0.00 -1.21 -2.85 114.93 110.87 2jxl h MET 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2jxl h MET 85 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2jxl h MET 85 CO 0.00 0.21 0.00 1.63 -0.00 0.00 0.00 176.91 178.75 2jxl n LYS 86 N -3.26 0.09 -2.36 -0.10 5.02 -0.99 -4.53 118.16 112.03 2jxl n LYS 86 Ca 0.01 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 56.11 2jxl n LYS 86 Cb 0.50 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 2jxl n LYS 86 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2jxl s ASP 87 N -2.85 5.94 -1.17 4.39 -1.08 -1.08 -4.88 116.67 115.95 2jxl s ASP 87 Ca 0.12 -1.03 -0.06 0.00 -0.52 0.00 0.00 52.55 51.06 2jxl s ASP 87 Cb 0.12 -2.56 0.24 0.00 -1.46 0.00 0.00 42.92 39.26 2jxl s ASP 87 CO 0.31 -2.01 1.76 -0.67 0.52 0.00 0.00 175.17 175.08 2jxl n ASP 88 N 10.89 6.26 0.00 -0.34 2.03 -1.26 -5.12 116.55 129.00 2jxl n ASP 88 Ca 0.33 -3.32 0.00 0.00 0.52 0.00 0.00 54.79 52.32 2jxl n ASP 88 Cb 0.49 -1.34 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04