#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 1.58 0.54 3.17 -1.08 -1.26 -5.01 116.67 114.60 2jxl s ASP 2 Ca 0.00 -0.25 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 2jxl s ASP 2 Cb 0.00 -0.49 1.54 0.00 -1.46 0.00 0.00 42.92 42.51 2jxl s ASP 2 CO 0.00 0.08 2.12 0.44 0.52 0.00 0.00 175.17 178.33 2jxl h ASP 3 N 6.46 0.00 0.07 -0.34 5.19 -2.06 -1.99 116.42 123.76 2jxl h ASP 3 Ca -0.33 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.07 2jxl h ASP 3 Cb 1.17 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 2jxl h ASP 3 CO 0.48 0.09 -0.07 -0.29 -3.12 0.00 0.00 179.24 176.33 2jxl h ILE 4 N 0.00 1.04 0.06 0.35 2.10 -2.00 -1.22 117.51 117.84 2jxl h ILE 4 Ca -0.00 -0.23 -0.28 0.00 1.08 0.00 0.00 64.86 65.43 2jxl h ILE 4 Cb 0.25 1.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.08 2jxl h ILE 4 CO 0.01 0.07 -1.44 1.88 -1.08 0.00 0.00 178.15 177.59 2jxl h TYR 5 N 0.00 0.23 -0.47 2.19 0.05 -1.75 -3.27 116.97 113.95 2jxl h TYR 5 Ca -0.00 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 2jxl h TYR 5 Cb 0.12 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 2jxl h TYR 5 CO 0.00 1.20 -0.07 0.87 -1.05 0.00 0.00 178.16 179.11 2jxl h LYS 6 N 0.03 0.88 0.00 4.88 1.79 -1.31 -2.34 116.57 120.51 2jxl h LYS 6 Ca -0.19 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 2jxl h LYS 6 Cb 1.95 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.54 2jxl h LYS 6 CO 0.13 0.95 -0.05 0.00 -1.08 0.00 0.00 179.45 179.41 2jxl h ALA 7 N 0.89 1.06 0.19 3.86 0.00 -1.37 -1.23 119.26 122.67 2jxl h ALA 7 Ca 0.12 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 2jxl h ALA 7 Cb 0.60 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.41 2jxl h ALA 7 CO 0.04 0.06 -1.12 0.00 0.00 0.00 0.00 179.25 178.23 2jxl h ALA 8 N 1.95 -0.12 -0.05 0.00 0.00 -1.51 -3.00 119.26 116.53 2jxl h ALA 8 Ca -0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 2jxl h ALA 8 Cb 0.37 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jxl h ALA 8 CO 0.01 0.52 -0.65 -0.39 0.00 0.00 0.00 179.25 178.74 2jxl h VAL 9 N -0.14 1.41 0.00 0.00 -1.51 -1.20 -3.01 116.25 111.80 2jxl h VAL 9 Ca -0.20 -2.10 -0.09 0.00 -1.23 0.00 0.00 66.70 63.08 2jxl h VAL 9 Cb 1.88 2.09 -0.01 0.00 -2.13 0.00 0.00 31.29 33.12 2jxl h VAL 9 CO 0.21 0.62 -0.45 -0.33 -1.23 0.00 0.00 177.57 176.38 2jxl h GLU 10 N 0.14 0.00 -0.26 5.19 5.08 -1.33 -2.56 114.58 120.84 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 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2jxl h GLU 10 CO 0.10 0.45 0.00 0.00 -1.00 0.00 0.00 179.01 178.56 2jxl n GLN 11 N -3.71 1.72 -1.38 2.33 10.64 -1.13 -4.91 117.38 120.93 2jxl n GLN 11 Ca -0.01 -1.10 -0.30 0.00 -1.83 0.00 0.00 57.00 53.76 2jxl n GLN 11 Cb 0.52 -1.30 0.21 0.00 -0.86 0.00 0.00 30.24 28.81 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 -1.21 1.49 0.28 2.61 1.43 -0.97 -5.04 118.68 117.28 2jxl s LEU 12 Ca 0.25 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 2jxl s LEU 12 Cb 0.13 -2.54 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 2jxl s LEU 12 CO 0.19 -3.46 0.65 0.28 0.23 0.00 0.00 176.35 174.23 2jxl s THR 13 N -3.28 4.81 0.29 5.49 -1.32 -1.26 -4.94 115.64 115.43 2jxl s THR 13 Ca 0.70 0.69 0.04 0.00 -1.21 0.00 0.00 61.69 61.91 2jxl s THR 13 Cb -0.09 -3.62 0.29 0.00 -1.51 0.00 0.00 72.50 67.56 2jxl s THR 13 CO 0.55 -0.15 1.78 -0.33 -2.21 0.00 0.00 174.62 174.26 2jxl h GLU 14 N 2.33 0.74 -0.83 7.08 5.08 -1.98 0.32 114.58 127.32 2jxl h GLU 14 Ca -0.47 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 57.88 2jxl h GLU 14 Cb 1.17 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2jxl h GLU 14 CO 0.67 0.49 0.52 0.93 -1.00 0.00 0.00 179.01 180.62 2jxl h GLU 15 N 0.76 0.97 0.66 2.33 5.08 -1.99 -1.04 114.58 121.34 2jxl h GLU 15 Ca 0.55 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2jxl h GLU 15 Cb 0.81 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jxl h GLU 15 CO -0.37 0.64 -0.32 1.96 -1.00 0.00 0.00 179.01 179.92 2jxl h GLN 16 N 1.00 -0.85 -1.00 2.33 1.08 -1.35 -2.68 115.11 113.64 2jxl h GLN 16 Ca 0.34 0.06 0.28 0.00 -1.45 0.00 0.00 58.65 57.88 2jxl h GLN 16 Cb 0.06 0.19 -0.05 0.00 -0.05 0.00 0.00 27.48 27.64 2jxl h GLN 16 CO -0.13 -0.55 0.70 -0.22 -0.95 0.00 0.00 178.83 177.68 2jxl h LYS 17 N -1.19 0.11 -0.39 1.46 1.63 -1.25 0.26 116.57 117.19 2jxl h LYS 17 Ca -0.09 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 2jxl h LYS 17 Cb 0.70 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2jxl h LYS 17 CO 0.15 0.07 -0.08 -0.91 -3.45 0.00 0.00 179.45 175.22 2jxl h ASN 18 N 0.11 0.76 -0.09 4.20 2.35 -1.05 -0.68 115.58 121.18 2jxl h ASN 18 Ca 0.50 -0.36 -0.24 0.00 -0.55 0.00 0.00 56.30 55.65 2jxl h ASN 18 Cb 1.77 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 39.95 2jxl h ASN 18 CO -0.07 0.94 -0.86 -0.33 -1.65 0.00 0.00 177.43 175.45 2jxl h GLU 19 N 0.56 0.74 -0.05 0.81 5.08 -0.28 -1.38 114.58 120.06 2jxl h GLU 19 Ca 0.10 -0.68 -0.06 0.00 -1.00 0.00 0.00 59.36 57.72 2jxl h GLU 19 Cb 0.60 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2jxl h GLU 19 CO 0.04 1.27 -0.26 0.74 -1.00 0.00 0.00 179.01 179.80 2jxl h PHE 20 N 0.44 0.10 0.22 4.33 0.04 -0.77 0.28 116.94 121.58 2jxl h PHE 20 Ca -0.08 -0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.36 2jxl h PHE 20 Cb 1.51 -0.03 0.03 0.00 2.20 0.00 0.00 35.95 39.66 2jxl h PHE 20 CO 0.10 0.35 -1.38 -0.22 -0.60 0.00 0.00 178.31 176.56 2jxl h LYS 21 N 0.08 0.46 0.17 1.51 3.64 -1.10 -3.11 116.57 118.23 2jxl h LYS 21 Ca 0.01 -0.79 -0.01 0.00 -1.27 0.00 0.00 60.65 58.59 2jxl h LYS 21 Cb 0.52 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2jxl h LYS 21 CO 0.04 1.38 -0.08 0.00 -2.27 0.00 0.00 179.45 178.51 2jxl h ALA 22 N 0.12 -0.23 -0.54 5.00 0.00 -1.09 -3.18 119.26 119.34 2jxl h ALA 22 Ca -0.25 -0.22 0.16 0.00 0.00 0.00 0.00 54.91 54.59 2jxl h ALA 22 Cb 2.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2jxl h ALA 22 CO 0.23 -0.33 0.42 0.00 0.00 0.00 0.00 179.25 179.57 2jxl h ALA 23 N -0.26 2.42 -0.13 0.00 0.00 -0.61 0.19 119.26 120.88 2jxl h ALA 23 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2jxl h ALA 23 Cb 0.52 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jxl h ALA 23 CO 0.04 -0.70 -0.21 0.35 0.00 0.00 0.00 179.25 178.72 2jxl h PHE 24 N 0.00 0.24 -0.59 0.00 3.57 -1.52 -2.73 116.94 115.91 2jxl h PHE 24 Ca 0.25 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 2jxl h PHE 24 Cb 1.10 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.76 2jxl h PHE 24 CO 0.00 0.43 0.01 0.22 -2.23 0.00 0.00 178.31 176.74 2jxl h ASP 25 N 0.21 1.02 0.40 0.41 3.58 -0.63 -1.78 116.42 119.62 2jxl h ASP 25 Ca 0.04 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.14 2jxl h ASP 25 Cb 0.50 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2jxl h ASP 25 CO 0.03 1.07 -0.22 0.40 -2.88 0.00 0.00 179.24 177.65 2jxl h ILE 26 N 0.93 0.86 0.09 2.25 5.03 -1.47 -0.34 117.51 124.85 2jxl h ILE 26 Ca 0.17 -0.83 -0.19 0.00 -0.12 0.00 0.00 64.86 63.89 2jxl h ILE 26 Cb 0.54 1.49 0.02 0.00 -3.03 0.00 0.00 36.82 35.84 2jxl h ILE 26 CO 0.03 0.21 -0.78 -0.26 -0.68 0.00 0.00 178.15 176.67 2jxl h PHE 27 N 0.00 0.62 -0.11 1.37 -1.00 -1.27 -3.23 116.94 113.32 2jxl h PHE 27 Ca -0.00 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.38 2jxl h PHE 27 Cb 0.47 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.99 2jxl h PHE 27 CO 0.00 1.26 0.00 1.33 -1.61 0.00 0.00 178.31 179.29 2jxl n VAL 28 N -4.13 0.14 0.10 -0.55 0.24 -0.70 -4.02 118.33 109.42 2jxl n VAL 28 Ca -0.12 -0.19 0.19 0.00 -2.04 0.00 0.00 64.34 62.18 2jxl n VAL 28 Cb 0.78 0.07 0.76 0.00 -1.47 0.00 0.00 33.84 33.98 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 1.12 0.00 0.00 1.34 3.38 -1.08 0.75 115.31 120.82 2jxl h LEU 29 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2jxl h LEU 29 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2jxl h LEU 29 CO 0.00 0.00 -1.29 1.23 0.09 0.00 0.00 178.44 178.47 2jxl h GLY 30 N 0.00 0.00 -1.45 0.83 0.00 -1.83 -3.47 103.07 97.15 2jxl h GLY 30 Ca 0.18 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.00 2jxl h GLY 30 CO -0.00 0.00 0.36 0.00 0.00 0.00 0.00 176.54 176.90 2jxl s ALA 31 N -2.78 2.62 -0.11 3.60 0.00 0.26 -4.99 121.76 120.35 2jxl s ALA 31 Ca -0.02 0.21 0.18 0.00 0.00 0.00 0.00 51.96 52.33 2jxl s ALA 31 Cb 0.09 -3.21 -0.26 0.00 0.00 0.00 0.00 23.12 19.73 2jxl s ALA 31 CO 0.81 -1.21 0.23 -0.85 0.00 0.00 0.00 175.76 174.74 2jxl n GLU 32 N -2.89 0.81 -0.06 0.00 -0.00 -1.26 -4.48 120.64 112.76 2jxl n GLU 32 Ca 0.08 -0.09 -0.09 0.00 -0.00 0.00 0.00 57.16 57.07 2jxl n GLU 32 Cb 0.53 -1.47 -0.15 0.00 -0.00 0.00 0.00 31.44 30.35 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jxl n ASP 33 N -2.47 0.37 0.00 -1.84 2.03 -1.26 -5.02 116.55 108.36 2jxl n ASP 33 Ca -0.18 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.30 2jxl n ASP 33 Cb 0.85 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 41.82 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxl n GLY 34 N 1.66 0.74 3.39 0.27 0.00 -1.26 -5.16 105.19 104.83 2jxl n GLY 34 Ca -0.26 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.58 1.10 0.33 0.00 1.01 -0.92 -4.45 121.20 114.69 2jxl s ILE 36 Ca 0.33 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2jxl s ILE 36 Cb 0.02 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 2jxl s ILE 36 CO 0.18 -0.11 0.64 -0.94 0.00 0.00 0.00 174.94 174.72 2jxl s SER 37 N 1.60 6.49 0.60 3.58 1.04 -1.26 -1.89 113.70 123.85 2jxl s SER 37 Ca -0.03 0.90 0.30 0.00 0.48 0.00 0.00 55.95 57.60 2jxl s SER 37 Cb -0.18 -2.22 1.65 0.00 0.10 0.00 0.00 66.02 65.37 2jxl s SER 37 CO -0.07 -0.27 2.04 0.00 0.98 0.00 0.00 173.24 175.92 2jxl h THR 38 N 1.28 0.36 0.36 2.02 1.03 -1.93 0.27 112.91 116.30 2jxl h THR 38 Ca -0.47 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.19 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 2jxl h THR 38 CO 0.65 0.00 -0.17 0.50 -0.01 0.00 0.00 175.52 176.49 2jxl h LYS 39 N 0.00 -0.47 0.01 0.00 1.63 -1.94 -2.81 116.57 113.00 2jxl h LYS 39 Ca 0.10 0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.69 2jxl h LYS 39 Cb 0.66 0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2jxl h LYS 39 CO -0.00 -0.17 -1.01 0.93 -3.45 0.00 0.00 179.45 175.74 2jxl h GLU 40 N -0.76 0.53 -0.84 1.90 5.08 -1.76 -3.21 114.58 115.53 2jxl h GLU 40 Ca -0.05 -0.59 0.22 0.00 -1.00 0.00 0.00 59.36 57.95 2jxl h GLU 40 Cb 0.51 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2jxl h GLU 40 CO 0.08 1.21 0.58 1.25 -1.00 0.00 0.00 179.01 181.14 2jxl h LEU 41 N 0.29 0.15 -0.65 1.33 5.85 -0.55 0.25 115.31 121.98 2jxl h LEU 41 Ca -0.11 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 2jxl h LEU 41 Cb 1.66 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 2jxl h LEU 41 CO 0.19 0.06 -0.67 1.23 -0.34 0.00 0.00 178.44 178.91 2jxl h GLY 42 N 0.15 0.05 0.70 3.75 0.00 -1.49 -3.09 103.07 103.14 2jxl h GLY 42 Ca 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2jxl h GLY 42 CO -0.07 0.06 -0.02 0.50 0.00 0.00 0.00 176.54 177.01 2jxl h LYS 43 N 0.03 0.16 -0.98 4.80 1.57 -0.61 -3.10 116.57 118.44 2jxl h LYS 43 Ca -0.01 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2jxl h LYS 43 Cb 1.18 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.42 2jxl h LYS 43 CO 0.09 0.48 0.63 0.28 -0.57 0.00 0.00 179.45 180.37 2jxl h VAL 44 N -0.17 1.04 -1.00 0.50 2.07 -1.52 -1.55 116.25 115.61 2jxl h VAL 44 Ca 0.02 -0.38 0.18 0.00 0.82 0.00 0.00 66.70 67.34 2jxl h VAL 44 Cb 0.43 -0.15 -0.10 0.00 -1.52 0.00 0.00 31.29 29.94 2jxl h VAL 44 CO 0.01 0.20 0.61 0.24 0.02 0.00 0.00 177.57 178.65 2jxl h MET 45 N 1.10 0.78 -0.67 1.57 2.86 -1.46 -0.15 114.93 118.95 2jxl h MET 45 Ca 0.44 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 58.05 2jxl h MET 45 Cb 0.25 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2jxl h MET 45 CO -0.19 0.52 0.44 0.00 1.06 0.00 0.00 176.91 178.74 2jxl h ARG 46 N 0.80 0.86 -0.30 1.72 3.08 -0.36 -1.63 114.38 118.55 2jxl h ARG 46 Ca 0.57 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.56 2jxl h ARG 46 Cb 0.83 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2jxl h ARG 46 CO -0.36 0.57 0.19 0.52 -1.07 0.00 0.00 179.97 179.81 2jxl h MET 47 N 0.88 0.40 0.00 0.04 2.86 -1.04 -0.26 114.93 117.81 2jxl h MET 47 Ca 0.26 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2jxl h MET 47 Cb -0.06 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2jxl h MET 47 CO -0.07 0.27 0.00 -0.07 1.06 0.00 0.00 176.91 178.10 2jxl h LEU 48 N 0.41 0.00 0.00 1.22 4.07 -0.95 -3.46 115.31 116.59 2jxl h LEU 48 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2jxl h LEU 48 Cb -0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2jxl h LEU 48 CO -0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 2jxl n GLY 49 N 0.44 1.29 3.82 0.83 0.00 -0.11 -5.10 105.19 106.37 2jxl n GLY 49 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2jxl n GLY 49 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jxl s GLN 50 N -0.30 3.06 -0.43 1.61 0.74 -0.77 -4.96 119.66 118.61 2jxl s GLN 50 Ca 0.00 -0.61 0.06 0.00 0.05 0.00 0.00 55.36 54.86 2jxl s GLN 50 Cb 0.00 -2.83 0.20 0.00 1.10 0.00 0.00 33.01 31.49 2jxl s GLN 50 CO 0.00 0.58 0.44 0.09 -0.55 0.00 0.00 175.29 175.85 2jxl n ASN 51 N 0.39 0.20 -4.31 6.67 3.02 -1.26 -1.68 115.26 118.29 2jxl n ASN 51 Ca -0.07 -2.60 -0.29 0.00 -0.03 0.00 0.00 54.58 51.58 2jxl n ASN 51 Cb 0.51 -0.60 0.21 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.64 -0.35 0.63 3.52 0.04 -1.26 -5.03 135.00 131.91 2jxl s PRO 52 Ca 0.34 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 2jxl s PRO 52 Cb 0.09 -1.67 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 2jxl s PRO 52 CO -0.15 -3.19 1.04 0.95 0.04 0.00 0.00 177.00 175.68 2jxl s THR 53 N -2.99 4.49 0.00 1.26 -4.23 -1.26 -5.00 115.64 107.91 2jxl s THR 53 Ca 0.68 0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 61.80 2jxl s THR 53 Cb -0.15 -3.72 -0.18 0.00 1.34 0.00 0.00 72.50 69.80 2jxl s THR 53 CO 0.57 -1.02 1.30 1.55 -0.54 0.00 0.00 174.62 176.48 2jxl h PRO 54 N -0.32 0.15 0.00 3.99 0.13 -1.96 -2.94 132.00 131.04 2jxl h PRO 54 Ca -0.44 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2jxl h PRO 54 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2jxl h PRO 54 CO 0.60 0.59 -0.19 0.93 -0.23 0.00 0.00 178.00 179.70 2jxl h GLU 55 N -0.30 0.00 -0.11 0.86 5.08 -1.99 -2.84 114.58 115.28 2jxl h GLU 55 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2jxl h GLU 55 Cb 0.57 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jxl h GLU 55 CO 0.01 0.19 0.01 1.49 -1.00 0.00 0.00 179.01 179.72 2jxl h GLU 56 N 0.00 0.19 -0.03 2.33 4.81 -1.94 -1.38 114.58 118.56 2jxl h GLU 56 Ca -0.00 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2jxl h GLU 56 Cb 0.37 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2jxl h GLU 56 CO 0.03 0.42 -0.32 -0.07 -0.73 0.00 0.00 179.01 178.33 2jxl h LEU 57 N -0.06 -0.98 -2.10 1.64 4.07 -1.32 -0.02 115.31 116.54 2jxl h LEU 57 Ca 0.03 0.13 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2jxl h LEU 57 Cb 0.32 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 2jxl h LEU 57 CO 0.00 -0.38 -0.08 -0.61 -1.08 0.00 0.00 178.44 176.29 2jxl h GLN 58 N -0.46 0.00 0.31 1.13 5.75 -1.55 -2.53 115.11 117.76 2jxl h GLN 58 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2jxl h GLN 58 Cb 0.56 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.11 2jxl h GLN 58 CO -0.29 0.08 -0.16 1.49 -2.65 0.00 0.00 178.83 177.30 2jxl h GLU 59 N 0.00 -0.42 -0.23 1.69 4.81 0.17 -0.57 114.58 120.04 2jxl h GLU 59 Ca -0.00 0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2jxl h GLU 59 Cb 0.23 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2jxl h GLU 59 CO 0.01 -0.28 -0.36 1.98 -0.73 0.00 0.00 179.01 179.63 2jxl h MET 60 N -0.44 0.50 0.00 1.92 4.05 -1.24 -2.68 114.93 117.04 2jxl h MET 60 Ca -0.04 -0.23 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 2jxl h MET 60 Cb 0.34 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2jxl h MET 60 CO 0.06 0.79 -0.10 0.82 0.23 0.00 0.00 176.91 178.71 2jxl h ILE 61 N 0.42 0.39 0.08 1.77 2.04 -1.23 -2.27 117.51 118.73 2jxl h ILE 61 Ca 0.04 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2jxl h ILE 61 Cb 0.83 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2jxl h ILE 61 CO 0.07 0.10 -0.04 -0.78 0.00 0.00 0.00 178.15 177.49 2jxl h ASP 62 N 0.00 -0.10 0.94 1.72 3.58 -0.74 0.30 116.42 122.12 2jxl h ASP 62 Ca -0.00 -0.29 -0.04 0.00 0.42 0.00 0.00 57.03 57.12 2jxl h ASP 62 Cb 0.38 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2jxl h ASP 62 CO 0.01 0.25 -0.17 -0.08 -2.88 0.00 0.00 179.24 176.37 2jxl h GLU 63 N -0.45 0.00 0.04 0.28 4.22 -1.58 -3.21 114.58 113.88 2jxl h GLU 63 Ca -0.01 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.35 2jxl h GLU 63 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2jxl h GLU 63 CO 0.02 0.17 -0.35 0.28 -2.18 0.00 0.00 179.01 176.94 2jxl h VAL 64 N 0.00 1.63 -1.48 0.32 2.07 -1.28 -3.39 116.25 114.11 2jxl h VAL 64 Ca -0.00 -2.38 -0.40 0.00 0.82 0.00 0.00 66.70 64.74 2jxl h VAL 64 Cb 0.69 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 2jxl h VAL 64 CO 0.02 0.62 1.22 -0.62 0.02 0.00 0.00 177.57 178.83 2jxl s ASP 65 N -6.48 4.75 0.48 0.57 -1.08 0.10 -3.98 116.67 111.03 2jxl s ASP 65 Ca -0.19 0.47 0.22 0.00 -0.52 0.00 0.00 52.55 52.53 2jxl s ASP 65 Cb -0.01 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.16 2jxl s ASP 65 CO 0.72 -2.82 2.02 1.05 0.52 0.00 0.00 175.17 176.67 2jxl h GLU 66 N 16.05 0.00 -0.01 4.34 -0.00 -1.83 -1.77 114.58 131.36 2jxl h GLU 66 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2jxl h GLU 66 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.91 2jxl h GLU 66 CO 1.17 0.16 -0.69 -0.40 -0.00 0.00 0.00 179.01 179.25 2jxl n ASP 67 N -3.92 1.19 -3.76 3.06 5.75 -1.26 -4.88 116.55 112.73 2jxl n ASP 67 Ca -0.02 -0.99 -0.28 0.00 -0.01 0.00 0.00 54.79 53.48 2jxl n ASP 67 Cb 0.25 0.63 0.03 0.00 -1.03 0.00 0.00 41.12 41.01 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jxl n GLY 68 N 1.46 -0.51 0.19 6.12 0.00 -0.67 -4.86 105.19 106.92 2jxl n GLY 68 Ca 0.07 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.35 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 -2.08 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.32 2jxl h SER 69 Ca -0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 2jxl h SER 69 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.64 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 2jxl n GLY 70 N 0.77 1.10 3.30 -0.77 0.00 -1.26 -5.09 105.19 103.24 2jxl n GLY 70 Ca 0.02 0.00 -0.10 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 0.08 -0.15 2.61 -4.23 -1.26 -4.48 115.64 106.21 2jxl s THR 71 Ca 0.00 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 59.79 2jxl s THR 71 Cb 0.00 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 2jxl s THR 71 CO 0.00 -0.36 0.09 -0.69 -0.54 0.00 0.00 174.62 173.12 2jxl s VAL 72 N -3.70 5.06 0.30 2.29 1.01 -0.79 -4.82 120.40 119.75 2jxl s VAL 72 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2jxl s VAL 72 Cb 0.02 -3.24 0.05 0.00 0.00 0.00 0.00 36.38 33.22 2jxl s VAL 72 CO -0.11 0.53 0.42 0.47 0.00 0.00 0.00 175.10 176.41 2jxl n ASP 73 N 2.80 0.92 -0.15 3.32 8.00 -1.26 -2.18 116.55 128.01 2jxl n ASP 73 Ca -0.18 -1.69 -0.08 0.00 0.71 0.00 0.00 54.79 53.55 2jxl n ASP 73 Cb 0.53 -0.24 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.10 0.58 0.26 1.24 3.04 -1.99 0.26 116.94 120.23 2jxl h PHE 74 Ca -0.14 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 2jxl h PHE 74 Cb 0.60 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2jxl h PHE 74 CO 0.00 0.37 -0.13 -0.44 -2.02 0.00 0.00 178.31 176.09 2jxl h ASP 75 N 0.61 -0.30 -0.35 0.41 3.32 -1.99 -1.94 116.42 116.19 2jxl h ASP 75 Ca 0.17 -0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.06 2jxl h ASP 75 Cb -0.06 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2jxl h ASP 75 CO -0.04 0.09 0.24 -0.33 -1.72 0.00 0.00 179.24 177.49 2jxl h GLU 76 N -0.74 0.23 -0.20 3.56 5.08 -1.92 0.34 114.58 120.92 2jxl h GLU 76 Ca -0.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2jxl h GLU 76 Cb 0.50 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jxl h GLU 76 CO 0.06 0.15 -0.19 2.35 -1.00 0.00 0.00 179.01 180.38 2jxl h TRP 77 N 0.23 0.57 0.00 4.33 7.01 -0.39 -2.42 115.95 125.28 2jxl h TRP 77 Ca 0.15 -0.17 -0.15 0.00 2.11 0.00 0.00 58.89 60.84 2jxl h TRP 77 Cb 0.32 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 2jxl h TRP 77 CO -0.00 0.83 -0.70 -0.07 -2.79 0.00 0.00 178.44 175.71 2jxl h LEU 78 N 0.14 0.00 -1.17 0.65 3.38 -0.58 -3.07 115.31 114.67 2jxl h LEU 78 Ca 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2jxl h LEU 78 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2jxl h LEU 78 CO 0.05 0.70 -0.34 1.62 0.09 0.00 0.00 178.44 180.55 2jxl h VAL 79 N 0.00 0.94 0.55 1.22 3.04 -0.32 -2.59 116.25 119.09 2jxl h VAL 79 Ca -0.01 -1.33 -0.02 0.00 -1.01 0.00 0.00 66.70 64.34 2jxl h VAL 79 Cb 1.26 1.78 -0.02 0.00 -2.01 0.00 0.00 31.29 32.31 2jxl h VAL 79 CO 0.09 0.34 -0.47 0.24 -1.01 0.00 0.00 177.57 176.75 2jxl h MET 80 N 0.00 -0.97 -0.04 4.17 2.86 -1.33 -2.60 114.93 117.01 2jxl h MET 80 Ca -0.00 0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2jxl h MET 80 Cb 0.76 0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2jxl h MET 80 CO 0.04 -0.65 -0.40 0.00 1.06 0.00 0.00 176.91 176.97 2jxl h MET 81 N -1.01 0.09 -0.36 1.72 -0.00 -1.70 -2.74 114.93 110.94 2jxl h MET 81 Ca -0.07 -0.04 0.10 0.00 -0.00 0.00 0.00 59.70 59.70 2jxl h MET 81 Cb 0.86 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.44 2jxl h MET 81 CO -0.02 0.48 0.38 0.00 -0.00 0.00 0.00 176.91 177.75 2jxl h ALA 82 N 1.52 2.05 0.00 -3.00 0.00 -1.09 0.24 119.26 118.99 2jxl h ALA 82 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2jxl h ALA 82 Cb 0.74 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jxl h ALA 82 CO 0.06 -0.57 -0.08 -0.09 0.00 0.00 0.00 179.25 178.57 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -1.22 -0.82 114.38 114.78 2jxl h ARG 83 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2jxl h ARG 83 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2jxl h ARG 83 CO -0.00 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 2jxl h MET 85 N 0.00 0.28 0.00 0.00 2.86 -1.28 -3.11 114.93 113.69 2jxl h MET 85 Ca 0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2jxl h MET 85 Cb 0.42 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jxl h MET 85 CO 0.00 0.92 0.00 1.63 1.06 0.00 0.00 176.91 180.52 2jxl n LYS 86 N -4.45 0.11 -3.84 1.72 4.76 -1.15 -4.87 118.16 110.44 2jxl n LYS 86 Ca -0.09 0.15 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 2jxl n LYS 86 Cb 0.51 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jxl n ASP 87 N -1.41 -3.92 -3.63 4.39 8.00 -1.17 -4.94 116.55 113.87 2jxl n ASP 87 Ca 0.06 -0.73 -0.22 0.00 0.71 0.00 0.00 54.79 54.61 2jxl n ASP 87 Cb 0.19 -3.19 -0.17 0.00 -0.02 0.00 0.00 41.12 37.93 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jxl s ASP 88 N -3.09 1.68 0.00 -2.24 2.15 -1.25 -5.10 116.67 108.81 2jxl s ASP 88 Ca 0.61 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.35 2jxl s ASP 88 Cb -0.32 -0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.17 2jxl s ASP 88 CO 0.75 -0.30 0.00 -1.54 -0.17 0.00 0.00 175.17 173.91