#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 0.10 0.39 6.12 1.11 -1.26 -5.04 116.67 118.09 2jxl s ASP 2 Ca 0.00 -0.49 0.19 0.00 0.18 0.00 0.00 52.55 52.43 2jxl s ASP 2 Cb 0.00 0.29 0.72 0.00 1.07 0.00 0.00 42.92 45.00 2jxl s ASP 2 CO 0.00 -0.59 1.75 0.44 1.18 0.00 0.00 175.17 177.95 2jxl h ASP 3 N 3.32 0.00 0.13 0.27 3.32 -2.05 -1.95 116.42 119.46 2jxl h ASP 3 Ca -0.33 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 2jxl h ASP 3 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2jxl h ASP 3 CO 0.51 0.35 -0.37 -0.29 -1.72 0.00 0.00 179.24 177.72 2jxl h ILE 4 N 0.00 1.30 0.13 0.35 2.10 -2.00 -1.95 117.51 117.44 2jxl h ILE 4 Ca -0.00 -1.47 -0.26 0.00 1.08 0.00 0.00 64.86 64.21 2jxl h ILE 4 Cb 0.86 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2jxl h ILE 4 CO 0.05 0.45 -1.31 1.88 -1.08 0.00 0.00 178.15 178.13 2jxl h TYR 5 N 0.29 0.50 0.00 2.19 0.05 -1.94 -3.32 116.97 114.73 2jxl h TYR 5 Ca 0.03 -0.36 -0.01 0.00 0.05 0.00 0.00 58.73 58.44 2jxl h TYR 5 Cb 0.79 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 2jxl h TYR 5 CO 0.02 1.51 -0.05 1.57 -1.05 0.00 0.00 178.16 180.16 2jxl h LYS 6 N -0.28 0.00 -0.38 4.88 5.09 -1.37 -0.92 116.57 123.59 2jxl h LYS 6 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.41 2jxl h LYS 6 Cb 1.77 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.09 2jxl h LYS 6 CO 0.09 0.05 -0.01 0.00 -2.09 0.00 0.00 179.45 177.49 2jxl h ALA 7 N 1.95 0.51 0.00 0.07 0.00 -1.45 -0.50 119.26 119.85 2jxl h ALA 7 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2jxl h ALA 7 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2jxl h ALA 7 CO 0.01 0.29 -0.59 0.00 0.00 0.00 0.00 179.25 178.96 2jxl h ALA 8 N 0.87 0.63 -0.04 0.00 0.00 -1.52 -2.97 119.26 116.22 2jxl h ALA 8 Ca 0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2jxl h ALA 8 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jxl h ALA 8 CO 0.02 0.74 -0.18 0.28 0.00 0.00 0.00 179.25 180.11 2jxl h VAL 9 N 0.00 1.46 0.00 0.00 2.07 -1.06 -2.96 116.25 115.76 2jxl h VAL 9 Ca -0.01 -1.62 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 2jxl h VAL 9 Cb 1.44 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 2jxl h VAL 9 CO 0.08 0.45 -0.25 -0.33 0.02 0.00 0.00 177.57 177.54 2jxl h GLU 10 N -0.36 0.00 -0.46 1.57 4.39 -1.19 -1.88 114.58 116.66 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 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2jxl h GLU 10 CO 0.04 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.13 2jxl n GLN 11 N -3.77 2.09 -0.92 2.33 10.64 -1.12 -4.93 117.38 121.70 2jxl n GLN 11 Ca -0.01 -1.39 -0.30 0.00 -1.83 0.00 0.00 57.00 53.47 2jxl n GLN 11 Cb 0.35 -1.41 0.24 0.00 -0.86 0.00 0.00 30.24 28.56 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 -1.08 0.42 -0.01 2.61 1.43 -0.71 -5.03 118.68 116.32 2jxl s LEU 12 Ca 0.25 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.06 2jxl s LEU 12 Cb 0.15 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 2jxl s LEU 12 CO 0.15 -4.29 0.27 -0.89 0.23 0.00 0.00 176.35 171.82 2jxl s THR 13 N -2.82 5.29 0.25 5.49 2.01 -1.26 -5.00 115.64 119.60 2jxl s THR 13 Ca 0.70 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 2jxl s THR 13 Cb -0.12 -3.56 0.22 0.00 0.01 0.00 0.00 72.50 69.05 2jxl s THR 13 CO 0.57 0.43 1.73 -0.33 -0.69 0.00 0.00 174.62 176.32 2jxl h GLU 14 N 4.21 0.42 -0.70 4.92 5.08 -1.99 0.52 114.58 127.04 2jxl h GLU 14 Ca -0.51 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 2jxl h GLU 14 Cb 1.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2jxl h GLU 14 CO 0.64 0.28 0.27 0.93 -1.00 0.00 0.00 179.01 180.13 2jxl h GLU 15 N 0.44 1.04 0.71 2.33 4.39 -1.99 -2.35 114.58 119.15 2jxl h GLU 15 Ca 0.42 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2jxl h GLU 15 Cb 0.65 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2jxl h GLU 15 CO -0.41 0.85 -0.34 1.96 -1.16 0.00 0.00 179.01 179.91 2jxl h GLN 16 N 1.02 -0.91 -0.91 2.33 1.08 -1.33 -1.47 115.11 114.92 2jxl h GLN 16 Ca 0.24 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.67 2jxl h GLN 16 Cb 0.21 0.21 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 2jxl h GLN 16 CO -0.02 -0.60 0.59 0.87 -0.95 0.00 0.00 178.83 178.72 2jxl h LYS 17 N -1.00 0.55 -0.34 1.46 1.79 -1.25 0.12 116.57 117.90 2jxl h LYS 17 Ca -0.10 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 2jxl h LYS 17 Cb 0.74 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2jxl h LYS 17 CO 0.16 0.36 -0.21 -0.91 -1.08 0.00 0.00 179.45 177.77 2jxl h ASN 18 N 0.57 0.66 -0.33 0.86 2.35 -1.13 -2.62 115.58 115.94 2jxl h ASN 18 Ca 0.47 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.86 2jxl h ASN 18 Cb 0.95 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2jxl h ASN 18 CO -0.21 0.87 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.81 2jxl h GLU 19 N 0.58 0.85 -0.74 0.81 5.08 0.28 -2.07 114.58 119.37 2jxl h GLU 19 Ca 0.09 -0.39 -0.05 0.00 -1.00 0.00 0.00 59.36 58.01 2jxl h GLU 19 Cb 0.68 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2jxl h GLU 19 CO 0.05 1.03 0.25 0.74 -1.00 0.00 0.00 179.01 180.08 2jxl h PHE 20 N 0.72 1.16 0.00 4.33 0.04 -1.13 0.15 116.94 122.21 2jxl h PHE 20 Ca 0.08 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 2jxl h PHE 20 Cb 0.84 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 2jxl h PHE 20 CO 0.05 0.90 -0.53 -0.22 -0.60 0.00 0.00 178.31 177.91 2jxl h LYS 21 N 1.09 0.00 0.08 1.51 3.64 -1.36 0.26 116.57 121.79 2jxl h LYS 21 Ca 0.24 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.37 2jxl h LYS 21 Cb 0.27 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2jxl h LYS 21 CO -0.01 0.53 -1.20 0.00 -2.27 0.00 0.00 179.45 176.50 2jxl h ALA 22 N 1.47 0.22 0.18 5.00 0.00 -0.87 -3.24 119.26 122.02 2jxl h ALA 22 Ca -0.01 -0.94 -0.32 0.00 0.00 0.00 0.00 54.91 53.65 2jxl h ALA 22 Cb 1.02 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jxl h ALA 22 CO 0.07 1.11 -1.54 0.00 0.00 0.00 0.00 179.25 178.89 2jxl h ALA 23 N 0.73 0.08 -0.38 0.00 0.00 -0.64 -3.32 119.26 115.72 2jxl h ALA 23 Ca -0.11 -1.04 0.11 0.00 0.00 0.00 0.00 54.91 53.88 2jxl h ALA 23 Cb 1.91 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 2jxl h ALA 23 CO 0.17 0.86 0.29 0.35 0.00 0.00 0.00 179.25 180.91 2jxl h PHE 24 N -0.03 0.00 0.00 0.00 3.57 -0.62 0.17 116.94 120.03 2jxl h PHE 24 Ca -0.30 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 2jxl h PHE 24 Cb 1.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.72 2jxl h PHE 24 CO 0.12 0.00 -0.26 0.22 -2.23 0.00 0.00 178.31 176.16 2jxl h ASP 25 N 0.00 0.00 0.25 0.41 3.58 -1.65 -2.85 116.42 116.16 2jxl h ASP 25 Ca 0.18 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2jxl h ASP 25 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2jxl h ASP 25 CO -0.00 0.26 -0.12 0.40 -2.88 0.00 0.00 179.24 176.90 2jxl h ILE 26 N 0.00 0.66 -0.92 2.25 1.08 -0.81 0.25 117.51 120.02 2jxl h ILE 26 Ca -0.00 -0.88 0.16 0.00 -0.39 0.00 0.00 64.86 63.75 2jxl h ILE 26 Cb 0.57 1.06 -0.10 0.00 -3.07 0.00 0.00 36.82 35.28 2jxl h ILE 26 CO 0.03 0.15 0.52 -0.26 -0.69 0.00 0.00 178.15 177.90 2jxl h PHE 27 N -0.88 0.91 0.00 1.37 -1.00 -1.52 0.26 116.94 116.09 2jxl h PHE 27 Ca -0.03 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jxl h PHE 27 Cb 0.51 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.80 2jxl h PHE 27 CO 0.05 0.23 -0.33 1.33 -1.61 0.00 0.00 178.31 177.99 2jxl n VAL 28 N -4.81 0.32 0.23 -0.55 0.24 -1.08 -3.75 118.33 108.93 2jxl n VAL 28 Ca 0.19 -0.20 0.18 0.00 -2.04 0.00 0.00 64.34 62.48 2jxl n VAL 28 Cb 0.47 -0.26 0.86 0.00 -1.47 0.00 0.00 33.84 33.43 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 0.00 0.00 0.00 1.34 8.10 0.31 0.19 115.31 125.26 2jxl h LEU 29 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.92 2jxl h LEU 29 Cb 0.67 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.88 2jxl h LEU 29 CO 0.00 0.00 -0.66 1.23 -4.11 0.00 0.00 178.44 174.90 2jxl h GLY 30 N 0.00 0.00 -0.56 0.17 0.00 -1.65 -3.47 103.07 97.56 2jxl h GLY 30 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.15 2jxl h GLY 30 CO -0.00 0.00 0.15 0.00 0.00 0.00 0.00 176.54 176.69 2jxl n ALA 31 N -2.21 -1.72 -0.07 3.60 0.00 0.68 -5.02 120.51 115.77 2jxl n ALA 31 Ca -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 53.44 52.30 2jxl n ALA 31 Cb 0.66 -0.07 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 2jxl n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jxl n GLU 32 N -3.31 1.70 -0.10 0.00 0.00 -1.26 -4.68 120.64 112.99 2jxl n GLU 32 Ca 0.10 0.01 -0.11 0.00 0.00 0.00 0.00 57.16 57.16 2jxl n GLU 32 Cb 0.37 -1.33 -0.13 0.00 0.00 0.00 0.00 31.44 30.36 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2jxl n ASP 33 N -2.55 1.13 0.00 -1.84 8.00 -1.26 -5.03 116.55 115.00 2jxl n ASP 33 Ca -0.22 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.24 2jxl n ASP 33 Cb 0.90 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 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 2.07 0.75 3.42 0.44 0.00 -1.26 -5.14 105.19 105.46 2jxl n GLY 34 Ca -0.33 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.52 1.73 0.04 0.00 1.01 -1.24 -4.48 121.20 114.74 2jxl s ILE 36 Ca 0.32 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2jxl s ILE 36 Cb 0.02 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2jxl s ILE 36 CO 0.18 0.49 0.38 -0.94 0.00 0.00 0.00 174.94 175.04 2jxl s SER 37 N 1.33 6.66 0.55 3.58 1.04 -1.26 -2.68 113.70 122.92 2jxl s SER 37 Ca 0.03 0.80 0.31 0.00 0.48 0.00 0.00 55.95 57.57 2jxl s SER 37 Cb -0.13 -2.18 1.47 0.00 0.10 0.00 0.00 66.02 65.27 2jxl s SER 37 CO -0.10 0.23 1.87 0.00 0.98 0.00 0.00 173.24 176.23 2jxl h THR 38 N 3.16 0.48 -0.01 2.02 1.03 -1.95 0.30 112.91 117.94 2jxl h THR 38 Ca -0.50 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2jxl h THR 38 Cb 1.20 0.55 -0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2jxl h THR 38 CO 0.65 0.00 0.00 0.50 -0.01 0.00 0.00 175.52 176.66 2jxl h LYS 39 N 0.00 0.02 0.13 0.00 1.63 -1.93 -2.50 116.57 113.92 2jxl h LYS 39 Ca 0.37 -0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.87 2jxl h LYS 39 Cb 1.61 -0.00 0.03 0.00 -0.60 0.00 0.00 32.23 33.27 2jxl h LYS 39 CO -0.00 0.18 -1.26 0.93 -3.45 0.00 0.00 179.45 175.84 2jxl h GLU 40 N -0.14 0.57 -0.80 1.90 4.39 -1.44 -3.25 114.58 115.81 2jxl h GLU 40 Ca 0.00 -0.79 0.21 0.00 0.34 0.00 0.00 59.36 59.12 2jxl h GLU 40 Cb 0.17 0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 29.04 2jxl h GLU 40 CO -0.00 1.36 0.55 1.25 -1.16 0.00 0.00 179.01 181.01 2jxl h LEU 41 N 0.24 0.17 -1.29 1.33 5.85 -0.51 0.25 115.31 121.35 2jxl h LEU 41 Ca -0.19 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 2jxl h LEU 41 Cb 1.94 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.94 2jxl h LEU 41 CO 0.24 0.07 -0.35 1.23 -0.34 0.00 0.00 178.44 179.29 2jxl h GLY 42 N 0.17 0.00 0.46 3.75 0.00 -1.48 -3.01 103.07 102.96 2jxl h GLY 42 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 2jxl h GLY 42 CO -0.07 0.00 -0.10 0.50 0.00 0.00 0.00 176.54 176.87 2jxl h LYS 43 N 0.00 -0.28 -0.88 4.80 1.57 -0.65 -3.15 116.57 117.98 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 0.65 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2jxl h LYS 43 CO 0.05 0.11 0.63 0.28 -0.57 0.00 0.00 179.45 179.95 2jxl h VAL 44 N -0.83 0.56 -0.71 0.50 2.07 -1.52 0.17 116.25 116.50 2jxl h VAL 44 Ca -0.03 -0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 2jxl h VAL 44 Cb 0.51 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2jxl h VAL 44 CO 0.05 0.00 0.54 0.24 0.02 0.00 0.00 177.57 178.42 2jxl h MET 45 N 0.01 0.00 -0.32 1.57 2.86 -1.48 0.25 114.93 117.83 2jxl h MET 45 Ca 0.42 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 58.03 2jxl h MET 45 Cb 1.67 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.31 2jxl h MET 45 CO -0.01 0.00 0.06 0.07 1.06 0.00 0.00 176.91 178.09 2jxl h ARG 46 N 0.00 0.46 -0.38 1.72 0.11 -0.55 -2.19 114.38 113.55 2jxl h ARG 46 Ca 0.34 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 60.25 2jxl h ARG 46 Cb 1.40 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2jxl h ARG 46 CO -0.00 0.44 -0.16 0.52 0.10 0.00 0.00 179.97 180.87 2jxl h MET 47 N 0.45 0.71 0.00 0.08 2.86 -0.65 -2.55 114.93 115.83 2jxl h MET 47 Ca 0.11 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 2jxl h MET 47 Cb 0.20 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 2jxl h MET 47 CO -0.00 0.83 -0.23 -0.07 1.06 0.00 0.00 176.91 178.50 2jxl h LEU 48 N 0.63 0.00 0.00 1.22 -0.00 -1.40 -3.46 115.31 112.30 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 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2jxl h LEU 48 CO 0.04 0.23 0.00 0.61 -0.00 0.00 0.00 178.44 179.32 2jxl n GLY 49 N -0.18 1.33 3.19 0.83 0.00 -0.96 -5.11 105.19 104.29 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 -0.18 0.89 -0.40 1.61 -0.21 -0.96 -5.03 119.66 115.38 2jxl s GLN 50 Ca 0.00 -1.19 0.09 0.00 0.02 0.00 0.00 55.36 54.27 2jxl s GLN 50 Cb 0.00 -0.60 0.27 0.00 1.00 0.00 0.00 33.01 33.68 2jxl s GLN 50 CO 0.00 0.10 0.57 -1.71 -2.12 0.00 0.00 175.29 172.13 2jxl n ASN 51 N 0.50 0.47 -4.77 5.90 5.15 -1.26 -3.00 115.26 118.25 2jxl n ASN 51 Ca -0.16 -2.79 -0.32 0.00 -0.60 0.00 0.00 54.58 50.72 2jxl n ASN 51 Cb 0.58 -0.64 0.07 0.00 -0.53 0.00 0.00 39.78 39.26 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jxl s PRO 52 N -1.48 2.50 0.92 1.20 0.04 -1.26 -5.00 135.00 131.92 2jxl s PRO 52 Ca 0.36 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.55 2jxl s PRO 52 Cb 0.20 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.91 2jxl s PRO 52 CO -0.10 -1.47 0.76 0.25 0.04 0.00 0.00 177.00 176.48 2jxl n THR 53 N -3.03 0.15 -0.04 1.26 -2.24 -1.26 -4.91 114.28 104.21 2jxl n THR 53 Ca 0.10 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 2jxl n THR 53 Cb 0.53 -0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.64 0.21 -0.12 -0.78 0.13 -1.97 -3.09 132.00 124.73 2jxl h PRO 54 Ca -0.43 -0.11 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.63 -0.07 0.93 -0.23 0.00 0.00 178.00 179.64 2jxl h GLU 55 N -0.21 0.18 0.00 0.86 5.08 -1.98 -1.75 114.58 116.77 2jxl h GLU 55 Ca 0.01 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2jxl h GLU 55 Cb 0.59 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2jxl h GLU 55 CO 0.02 0.27 -0.27 1.49 -1.00 0.00 0.00 179.01 179.52 2jxl h GLU 56 N 0.18 0.00 0.50 2.33 4.57 -1.92 -2.71 114.58 117.53 2jxl h GLU 56 Ca 0.04 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2jxl h GLU 56 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2jxl h GLU 56 CO 0.01 0.27 -0.24 -0.07 -1.18 0.00 0.00 179.01 177.80 2jxl h LEU 57 N 0.00 -0.56 -2.20 1.64 3.38 -1.23 -2.64 115.31 113.68 2jxl h LEU 57 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2jxl h LEU 57 Cb 0.52 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jxl h LEU 57 CO 0.03 -0.32 -0.06 -0.61 0.09 0.00 0.00 178.44 177.58 2jxl h GLN 58 N -0.79 0.00 0.38 1.13 5.75 -1.58 -2.47 115.11 117.53 2jxl h GLN 58 Ca -0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 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 0.06 -0.20 0.93 -2.65 0.00 0.00 178.83 177.08 2jxl h GLU 59 N 0.00 -0.51 -0.17 1.69 4.39 -1.15 0.03 114.58 118.86 2jxl h GLU 59 Ca -0.00 0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 2jxl h GLU 59 Cb 0.17 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2jxl h GLU 59 CO 0.01 -0.34 -0.37 0.52 -1.16 0.00 0.00 179.01 177.66 2jxl h MET 60 N -0.53 0.37 0.00 2.33 2.86 -1.35 -2.63 114.93 115.99 2jxl h MET 60 Ca -0.05 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 2jxl h MET 60 Cb 0.42 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 2jxl h MET 60 CO 0.07 0.69 -0.12 0.82 1.06 0.00 0.00 176.91 179.43 2jxl h ILE 61 N 0.31 0.38 0.02 -1.22 2.04 -1.21 -2.54 117.51 115.29 2jxl h ILE 61 Ca 0.03 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2jxl h ILE 61 Cb 0.80 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2jxl h ILE 61 CO 0.06 0.12 -0.01 -0.78 0.00 0.00 0.00 178.15 177.55 2jxl h ASP 62 N 0.00 -0.02 0.91 1.72 3.58 -0.59 0.32 116.42 122.33 2jxl h ASP 62 Ca -0.00 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.09 2jxl h ASP 62 Cb 0.51 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 2jxl h ASP 62 CO 0.02 0.31 -0.20 -0.33 -2.88 0.00 0.00 179.24 176.16 2jxl h GLU 63 N -0.35 0.00 0.08 0.28 5.08 -1.59 -3.19 114.58 114.89 2jxl h GLU 63 Ca -0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2jxl h GLU 63 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2jxl h GLU 63 CO 0.00 0.20 -0.60 0.28 -1.00 0.00 0.00 179.01 177.90 2jxl h VAL 64 N 0.00 1.54 -2.01 3.13 2.07 -1.31 -3.44 116.25 116.23 2jxl h VAL 64 Ca -0.00 -2.43 -0.51 0.00 0.82 0.00 0.00 66.70 64.58 2jxl h VAL 64 Cb 0.71 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.63 2jxl h VAL 64 CO 0.03 0.65 1.43 -0.62 0.02 0.00 0.00 177.57 179.08 2jxl s ASP 65 N -6.69 5.16 0.28 0.57 -1.08 0.11 -4.83 116.67 110.19 2jxl s ASP 65 Ca -0.17 0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 52.68 2jxl s ASP 65 Cb 0.00 -2.52 0.40 0.00 -1.46 0.00 0.00 42.92 39.34 2jxl s ASP 65 CO 0.76 -2.37 1.83 1.05 0.52 0.00 0.00 175.17 176.96 2jxl h GLU 66 N 15.89 0.84 -0.00 4.34 -0.00 -1.84 -2.56 114.58 131.24 2jxl h GLU 66 Ca -0.28 -0.17 0.00 0.00 -0.00 0.00 0.00 59.36 58.92 2jxl h GLU 66 Cb 1.20 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.82 2jxl h GLU 66 CO 1.15 0.75 -0.72 -0.40 -0.00 0.00 0.00 179.01 179.79 2jxl n ASP 67 N -4.28 1.16 -3.86 3.06 5.68 -1.26 -4.98 116.55 112.08 2jxl n ASP 67 Ca 0.04 -0.98 -0.26 0.00 -0.50 0.00 0.00 54.79 53.09 2jxl n ASP 67 Cb 0.22 0.66 0.02 0.00 -1.14 0.00 0.00 41.12 40.87 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 1.47 -0.36 0.00 6.12 0.00 -0.97 -4.84 105.19 106.62 2jxl n GLY 68 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.94 0.00 0.00 1.61 3.41 -1.26 -4.86 113.62 109.58 2jxl n SER 69 Ca -0.16 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2jxl n SER 69 Cb 0.62 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.97 0.41 3.39 5.00 0.00 -1.26 -5.06 105.19 108.64 2jxl n GLY 70 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.32 115.64 106.32 2jxl s THR 71 Ca 0.00 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 2jxl s THR 71 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 2jxl s THR 71 CO 0.00 0.00 0.06 0.54 -0.54 0.00 0.00 174.62 174.68 2jxl s VAL 72 N -3.54 4.82 0.44 2.29 0.11 -1.09 -4.78 120.40 118.65 2jxl s VAL 72 Ca 0.34 -0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.42 2jxl s VAL 72 Cb 0.02 -3.09 -0.00 0.00 -1.53 0.00 0.00 36.38 31.77 2jxl s VAL 72 CO 0.18 0.57 0.44 -0.62 -3.33 0.00 0.00 175.10 172.35 2jxl s ASP 73 N -0.59 5.13 0.35 3.54 2.15 -1.26 -3.61 116.67 122.38 2jxl s ASP 73 Ca 0.11 -0.73 0.08 0.00 0.43 0.00 0.00 52.55 52.44 2jxl s ASP 73 Cb -0.12 -0.45 0.79 0.00 -0.30 0.00 0.00 42.92 42.84 2jxl s ASP 73 CO 0.02 -0.76 1.86 0.15 -0.17 0.00 0.00 175.17 176.28 2jxl h PHE 74 N 0.87 0.86 0.84 -5.34 3.57 -1.97 0.41 116.94 116.19 2jxl h PHE 74 Ca -0.40 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.08 2jxl h PHE 74 Cb 1.27 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.75 2jxl h PHE 74 CO 0.52 0.32 -0.41 -0.44 -2.23 0.00 0.00 178.31 176.08 2jxl h ASP 75 N 0.73 -0.96 0.13 0.41 5.19 -2.00 -0.78 116.42 119.14 2jxl h ASP 75 Ca 0.45 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.87 2jxl h ASP 75 Cb 0.69 0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.45 2jxl h ASP 75 CO -0.21 -0.61 -0.11 -0.33 -3.12 0.00 0.00 179.24 174.86 2jxl h GLU 76 N -1.28 0.00 -0.39 3.56 5.08 -1.80 -2.36 114.58 117.38 2jxl h GLU 76 Ca -0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2jxl h GLU 76 Cb 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jxl h GLU 76 CO 0.19 0.11 -0.14 2.35 -1.00 0.00 0.00 179.01 180.52 2jxl h TRP 77 N 0.00 0.89 0.00 4.33 7.01 -0.06 -0.46 115.95 127.67 2jxl h TRP 77 Ca -0.00 -0.21 -0.00 0.00 2.11 0.00 0.00 58.89 60.79 2jxl h TRP 77 Cb 0.20 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.05 2jxl h TRP 77 CO 0.00 0.94 -0.00 -0.07 -2.79 0.00 0.00 178.44 176.52 2jxl h LEU 78 N 0.59 -0.00 -0.92 0.65 3.38 -0.61 -2.82 115.31 115.59 2jxl h LEU 78 Ca 0.09 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jxl h LEU 78 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2jxl h LEU 78 CO 0.05 0.06 -0.03 -0.37 0.09 0.00 0.00 178.44 178.23 2jxl h VAL 79 N -0.06 1.24 -0.93 1.22 -1.51 -1.50 -2.71 116.25 111.99 2jxl h VAL 79 Ca -0.00 -1.03 0.21 0.00 -1.23 0.00 0.00 66.70 64.64 2jxl h VAL 79 Cb 0.06 0.94 -0.07 0.00 -2.13 0.00 0.00 31.29 30.09 2jxl h VAL 79 CO 0.00 0.36 0.61 -0.03 -1.23 0.00 0.00 177.57 177.28 2jxl h MET 80 N 0.70 0.45 -0.12 5.19 -1.53 -0.82 -0.45 114.93 118.35 2jxl h MET 80 Ca 0.13 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.31 2jxl h MET 80 Cb 0.48 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.43 2jxl h MET 80 CO 0.02 0.30 -0.13 1.98 0.14 0.00 0.00 176.91 179.23 2jxl h MET 81 N 0.47 0.30 0.14 0.39 -1.53 -1.34 -2.09 114.93 111.27 2jxl h MET 81 Ca 0.50 -0.16 0.00 0.00 -3.44 0.00 0.00 59.70 56.60 2jxl h MET 81 Cb 1.15 0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.20 2jxl h MET 81 CO -0.22 0.71 -0.14 0.00 0.14 0.00 0.00 176.91 177.40 2jxl h ALA 82 N 0.59 -0.27 0.00 0.39 0.00 -1.14 -1.70 119.26 117.13 2jxl h ALA 82 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jxl h ALA 82 Cb 0.65 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2jxl h ALA 82 CO 0.03 -0.67 -0.05 0.07 0.00 0.00 0.00 179.25 178.63 2jxl h ARG 83 N -0.31 0.00 0.00 0.00 -0.00 -1.22 -0.71 114.38 112.15 2jxl h ARG 83 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2jxl h ARG 83 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2jxl h ARG 83 CO -0.04 0.05 0.00 0.00 -0.00 0.00 0.00 179.97 179.98 2jxl h MET 85 N 0.00 0.00 0.00 0.00 2.86 -1.01 -3.06 114.93 113.72 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 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2jxl h MET 85 CO 0.00 0.00 0.00 -0.22 1.06 0.00 0.00 176.91 177.75 2jxl h LYS 86 N 0.00 0.00 0.00 1.72 3.11 -1.53 -2.65 116.57 117.22 2jxl h LYS 86 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jxl h LYS 86 Cb 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2jxl h LYS 86 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 179.45 176.24 2jxl n ASP 87 N -2.50 0.58 -3.91 4.20 5.75 -1.16 -4.72 116.55 114.79 2jxl n ASP 87 Ca 0.02 0.62 -0.12 0.00 -0.01 0.00 0.00 54.79 55.30 2jxl n ASP 87 Cb 0.30 -0.75 -0.13 0.00 -1.03 0.00 0.00 41.12 39.51 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jxl s ASP 88 N -4.08 0.14 0.00 -1.12 2.15 -1.00 -5.20 116.67 107.57 2jxl s ASP 88 Ca 0.06 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.89 2jxl s ASP 88 Cb 0.10 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2jxl s ASP 88 CO 0.43 -0.07 0.00 -1.20 -0.17 0.00 0.00 175.17 174.15