#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl n ASP 2 N 0.00 4.66 0.29 7.83 8.00 -1.26 -4.74 116.55 131.33 2jxl n ASP 2 Ca 0.00 -2.90 0.15 0.00 0.71 0.00 0.00 54.79 52.75 2jxl n ASP 2 Cb 0.00 -1.71 0.86 0.00 -0.02 0.00 0.00 41.12 40.24 2jxl n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2jxl h ASP 3 N 7.08 0.00 -0.53 -2.24 3.32 -2.04 -1.98 116.42 120.02 2jxl h ASP 3 Ca 0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.48 2jxl h ASP 3 Cb 0.80 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2jxl h ASP 3 CO 1.57 0.06 0.18 -0.29 -1.72 0.00 0.00 179.24 179.04 2jxl h ILE 4 N 0.00 1.22 0.10 0.35 2.10 -2.00 0.13 117.51 119.41 2jxl h ILE 4 Ca -0.00 -0.76 -0.22 0.00 1.08 0.00 0.00 64.86 64.95 2jxl h ILE 4 Cb 0.19 0.59 -0.00 0.00 -1.09 0.00 0.00 36.82 36.50 2jxl h ILE 4 CO 0.01 0.29 -1.12 1.88 -1.08 0.00 0.00 178.15 178.13 2jxl h TYR 5 N 0.84 0.37 0.00 2.19 0.05 -1.79 -3.33 116.97 115.31 2jxl h TYR 5 Ca 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 58.73 58.69 2jxl h TYR 5 Cb 0.25 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 2jxl h TYR 5 CO 0.02 1.44 -0.04 0.87 -1.05 0.00 0.00 178.16 179.40 2jxl h LYS 6 N -0.46 0.00 0.71 4.88 6.56 -1.36 -2.24 116.57 124.66 2jxl h LYS 6 Ca -0.24 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.31 2jxl h LYS 6 Cb 1.61 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.28 2jxl h LYS 6 CO 0.04 0.04 -0.34 0.00 -2.06 0.00 0.00 179.45 177.13 2jxl h ALA 7 N 1.96 -0.96 -0.11 3.86 0.00 -1.07 -1.91 119.26 121.04 2jxl h ALA 7 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2jxl h ALA 7 Cb 0.11 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2jxl h ALA 7 CO 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 179.25 178.38 2jxl h ALA 8 N -1.15 1.85 -0.38 0.00 0.00 -1.62 -2.36 119.26 115.60 2jxl h ALA 8 Ca -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jxl h ALA 8 Cb 0.75 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2jxl h ALA 8 CO 0.16 0.12 0.08 0.28 0.00 0.00 0.00 179.25 179.89 2jxl h VAL 9 N 0.15 1.23 0.00 0.00 2.07 -1.34 -2.41 116.25 115.96 2jxl h VAL 9 Ca 0.04 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2jxl h VAL 9 Cb 0.06 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2jxl h VAL 9 CO -0.00 0.28 -0.06 -0.33 0.02 0.00 0.00 177.57 177.47 2jxl h GLU 10 N 0.48 0.00 -0.01 1.57 4.39 -0.82 -1.04 114.58 119.15 2jxl h GLU 10 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2jxl h GLU 10 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2jxl h GLU 10 CO 0.00 0.06 -0.11 1.04 -1.16 0.00 0.00 179.01 178.85 2jxl n GLN 11 N -3.33 0.91 -1.07 2.33 6.02 -0.93 -4.90 117.38 116.41 2jxl n GLN 11 Ca -0.01 -0.38 -0.29 0.00 -0.01 0.00 0.00 57.00 56.31 2jxl n GLN 11 Cb 0.23 -1.49 0.21 0.00 1.02 0.00 0.00 30.24 30.21 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jxl s LEU 12 N -2.35 1.14 0.42 1.08 1.43 -0.40 -5.05 118.68 114.95 2jxl s LEU 12 Ca 0.31 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 2jxl s LEU 12 Cb 0.20 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 2jxl s LEU 12 CO 0.45 -3.62 0.62 0.28 0.23 0.00 0.00 176.35 174.31 2jxl s THR 13 N -2.93 3.95 0.44 5.49 -1.32 -1.26 -4.97 115.64 115.04 2jxl s THR 13 Ca 0.67 -0.65 0.17 0.00 -1.21 0.00 0.00 61.69 60.67 2jxl s THR 13 Cb -0.16 -3.43 0.36 0.00 -1.51 0.00 0.00 72.50 67.75 2jxl s THR 13 CO 0.58 -0.26 1.94 -0.33 -2.21 0.00 0.00 174.62 174.33 2jxl h GLU 14 N 0.52 0.35 -0.64 7.08 5.08 -1.99 -0.06 114.58 124.91 2jxl h GLU 14 Ca -0.46 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 2jxl h GLU 14 Cb 1.26 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2jxl h GLU 14 CO 0.56 0.23 0.16 0.93 -1.00 0.00 0.00 179.01 179.89 2jxl h GLU 15 N 0.36 1.01 0.45 2.33 5.08 -1.98 -0.80 114.58 121.03 2jxl h GLU 15 Ca 0.34 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2jxl h GLU 15 Cb 0.82 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2jxl h GLU 15 CO -0.10 0.89 -0.22 1.96 -1.00 0.00 0.00 179.01 180.55 2jxl h GLN 16 N 0.96 -0.59 -0.92 2.33 1.08 -1.39 0.24 115.11 116.83 2jxl h GLN 16 Ca 0.21 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2jxl h GLN 16 Cb 0.33 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.85 2jxl h GLN 16 CO -0.00 -0.34 0.58 0.87 -0.95 0.00 0.00 178.83 178.99 2jxl h LYS 17 N -0.71 1.23 -0.54 1.46 1.79 -1.45 -0.97 116.57 117.38 2jxl h LYS 17 Ca -0.06 -0.09 -0.11 0.00 -2.18 0.00 0.00 60.65 58.20 2jxl h LYS 17 Cb 0.52 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2jxl h LYS 17 CO 0.10 0.83 -0.11 -0.97 -1.08 0.00 0.00 179.45 178.23 2jxl h ASN 18 N 1.25 1.03 -0.61 0.86 -1.24 -0.99 -1.35 115.58 114.54 2jxl h ASN 18 Ca 0.33 -0.35 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 2jxl h ASN 18 Cb -0.10 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.65 2jxl h ASN 18 CO -0.07 1.14 0.05 -0.33 -1.29 0.00 0.00 177.43 176.94 2jxl h GLU 19 N 0.90 1.03 -0.18 6.67 5.08 -0.03 0.35 114.58 128.41 2jxl h GLU 19 Ca 0.14 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2jxl h GLU 19 Cb 0.68 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2jxl h GLU 19 CO 0.05 0.99 -0.03 0.74 -1.00 0.00 0.00 179.01 179.75 2jxl h PHE 20 N 0.94 0.39 -0.21 4.33 0.04 -1.08 0.27 116.94 121.61 2jxl h PHE 20 Ca 0.18 -0.08 -0.14 0.00 2.80 0.00 0.00 57.97 60.73 2jxl h PHE 20 Cb 0.49 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2jxl h PHE 20 CO 0.04 0.60 -0.45 -0.22 -0.60 0.00 0.00 178.31 177.67 2jxl h LYS 21 N 0.07 0.53 -0.14 1.51 3.64 -1.18 0.10 116.57 121.09 2jxl h LYS 21 Ca 0.05 -0.29 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 2jxl h LYS 21 Cb 0.46 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2jxl h LYS 21 CO 0.02 0.87 -0.51 0.00 -2.27 0.00 0.00 179.45 177.56 2jxl h ALA 22 N 1.08 0.25 0.00 5.00 0.00 -0.23 -3.07 119.26 122.29 2jxl h ALA 22 Ca 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2jxl h ALA 22 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jxl h ALA 22 CO 0.08 0.43 -0.45 0.00 0.00 0.00 0.00 179.25 179.32 2jxl h ALA 23 N 0.52 0.85 0.00 0.00 0.00 -0.44 -3.10 119.26 117.10 2jxl h ALA 23 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2jxl h ALA 23 Cb 1.14 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2jxl h ALA 23 CO 0.11 0.56 -0.39 0.35 0.00 0.00 0.00 179.25 179.87 2jxl h PHE 24 N 0.00 0.00 -0.02 0.00 3.57 -0.78 -2.56 116.94 117.14 2jxl h PHE 24 Ca -0.00 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2jxl h PHE 24 Cb 1.10 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2jxl h PHE 24 CO 0.00 0.39 -0.35 0.22 -2.23 0.00 0.00 178.31 176.35 2jxl h ASP 25 N 0.00 0.03 1.23 0.41 3.58 -1.45 -1.97 116.42 118.26 2jxl h ASP 25 Ca -0.00 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 2jxl h ASP 25 Cb 0.70 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2jxl h ASP 25 CO 0.05 0.38 -0.78 0.40 -2.88 0.00 0.00 179.24 176.41 2jxl h ILE 26 N 0.03 1.18 0.00 2.25 5.03 -1.58 -3.16 117.51 121.26 2jxl h ILE 26 Ca 0.00 -2.69 -0.22 0.00 -0.12 0.00 0.00 64.86 61.83 2jxl h ILE 26 Cb 0.63 2.57 -0.00 0.00 -3.03 0.00 0.00 36.82 36.99 2jxl h ILE 26 CO 0.05 0.67 -0.93 -0.26 -0.68 0.00 0.00 178.15 177.00 2jxl h PHE 27 N 0.00 0.53 -0.08 1.37 -1.00 -1.18 -3.06 116.94 113.51 2jxl h PHE 27 Ca -0.02 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2jxl h PHE 27 Cb 1.56 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 41.06 2jxl h PHE 27 CO 0.00 1.11 0.00 1.33 -1.61 0.00 0.00 178.31 179.14 2jxl n VAL 28 N -3.72 0.11 0.06 -0.55 0.24 -0.77 -3.92 118.33 109.78 2jxl n VAL 28 Ca -0.06 -0.17 0.06 0.00 -2.04 0.00 0.00 64.34 62.13 2jxl n VAL 28 Cb 0.83 0.04 0.49 0.00 -1.47 0.00 0.00 33.84 33.72 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 1.06 0.34 -0.60 1.34 3.38 -1.50 -1.99 115.31 117.34 2jxl h LEU 29 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 2jxl h LEU 29 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2jxl h LEU 29 CO 0.00 0.24 -0.51 1.23 0.09 0.00 0.00 178.44 179.49 2jxl h GLY 30 N 0.40 0.54 -0.97 0.83 0.00 -1.81 -3.45 103.07 98.61 2jxl h GLY 30 Ca 0.12 -0.61 -0.48 0.00 0.00 0.00 0.00 47.33 46.36 2jxl h GLY 30 CO -0.03 0.55 0.32 0.00 0.00 0.00 0.00 176.54 177.38 2jxl s ALA 31 N -4.03 2.03 -0.07 3.60 0.00 -0.75 -5.00 121.76 117.53 2jxl s ALA 31 Ca -0.07 -0.28 0.13 0.00 0.00 0.00 0.00 51.96 51.74 2jxl s ALA 31 Cb 0.12 -3.10 -0.19 0.00 0.00 0.00 0.00 23.12 19.95 2jxl s ALA 31 CO 0.83 -1.95 0.17 0.39 0.00 0.00 0.00 175.76 175.20 2jxl n GLU 32 N -3.58 1.17 -0.04 0.00 1.02 -1.26 -4.57 120.64 113.39 2jxl n GLU 32 Ca 0.07 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 2jxl n GLU 32 Cb 0.57 -1.33 -0.14 0.00 -0.02 0.00 0.00 31.44 30.51 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jxl n ASP 33 N -2.24 1.01 0.00 1.62 8.00 -1.26 -5.01 116.55 118.68 2jxl n ASP 33 Ca -0.12 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.64 2jxl n ASP 33 Cb 0.65 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.72 0.80 3.41 0.44 0.00 -1.26 -5.17 105.19 105.13 2jxl n GLY 34 Ca -0.25 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 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 1.58 0.12 0.00 1.01 -1.15 -4.20 121.20 115.04 2jxl s ILE 36 Ca 0.33 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2jxl s ILE 36 Cb 0.02 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 2jxl s ILE 36 CO 0.18 0.20 0.61 -0.94 0.00 0.00 0.00 174.94 174.99 2jxl s SER 37 N 1.43 7.05 0.48 3.58 1.04 -1.26 -2.57 113.70 123.44 2jxl s SER 37 Ca -0.00 1.29 0.28 0.00 0.48 0.00 0.00 55.95 58.00 2jxl s SER 37 Cb -0.16 -2.37 1.35 0.00 0.10 0.00 0.00 66.02 64.95 2jxl s SER 37 CO -0.08 0.20 1.79 0.00 0.98 0.00 0.00 173.24 176.12 2jxl h THR 38 N 3.25 0.45 -0.38 2.02 1.03 -1.94 0.51 112.91 117.86 2jxl h THR 38 Ca -0.49 -0.06 -0.08 0.00 -0.01 0.00 0.00 66.41 65.77 2jxl h THR 38 Cb 1.21 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 2jxl h THR 38 CO 0.64 0.03 -0.06 0.50 -0.01 0.00 0.00 175.52 176.62 2jxl h LYS 39 N 0.17 0.72 0.00 0.00 3.64 -1.92 -2.81 116.57 116.37 2jxl h LYS 39 Ca 0.58 -0.26 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 2jxl h LYS 39 Cb 1.93 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 2jxl h LYS 39 CO -0.15 0.85 -0.92 1.49 -2.27 0.00 0.00 179.45 178.45 2jxl h GLU 40 N 0.52 0.01 0.00 1.90 4.57 -0.84 -3.18 114.58 117.56 2jxl h GLU 40 Ca 0.10 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2jxl h GLU 40 Cb 0.57 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2jxl h GLU 40 CO 0.03 0.92 -0.10 1.25 -1.18 0.00 0.00 179.01 179.94 2jxl h LEU 41 N 0.01 0.00 -0.48 1.64 5.85 -0.10 -2.35 115.31 119.87 2jxl h LEU 41 Ca -0.01 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.54 2jxl h LEU 41 Cb 1.62 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2jxl h LEU 41 CO 0.12 0.10 -0.57 1.23 -0.34 0.00 0.00 178.44 178.98 2jxl h GLY 42 N 0.53 0.62 1.39 3.75 0.00 -1.48 -3.12 103.07 104.76 2jxl h GLY 42 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 2jxl h GLY 42 CO 0.01 0.66 0.18 0.07 0.00 0.00 0.00 176.54 177.46 2jxl h LYS 43 N 0.43 0.78 -0.25 4.80 2.10 -1.54 -2.32 116.57 120.57 2jxl h LYS 43 Ca 0.00 -0.13 -0.07 0.00 -2.00 0.00 0.00 60.65 58.45 2jxl h LYS 43 Cb 1.12 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 2jxl h LYS 43 CO 0.11 0.67 -0.15 0.28 -2.00 0.00 0.00 179.45 178.36 2jxl h VAL 44 N 0.77 1.23 -0.90 0.07 2.07 -1.51 -2.66 116.25 115.32 2jxl h VAL 44 Ca 0.18 -1.02 0.23 0.00 0.82 0.00 0.00 66.70 66.91 2jxl h VAL 44 Cb 0.21 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2jxl h VAL 44 CO -0.01 0.33 0.61 0.24 0.02 0.00 0.00 177.57 178.76 2jxl h MET 45 N 0.39 0.22 -0.61 1.57 2.86 -1.36 0.22 114.93 118.23 2jxl h MET 45 Ca 0.07 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2jxl h MET 45 Cb 0.50 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 2jxl h MET 45 CO 0.03 0.15 0.40 0.00 1.06 0.00 0.00 176.91 178.55 2jxl h ARG 46 N 0.23 0.66 -0.28 1.72 3.08 -1.06 -1.04 114.38 117.70 2jxl h ARG 46 Ca 0.45 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.37 2jxl h ARG 46 Cb 1.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2jxl h ARG 46 CO -0.11 0.44 -0.22 0.52 -1.07 0.00 0.00 179.97 179.53 2jxl h MET 47 N 0.68 0.51 0.00 0.04 2.86 -0.71 -2.63 114.93 115.68 2jxl h MET 47 Ca 0.25 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2jxl h MET 47 Cb 0.13 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2jxl h MET 47 CO -0.07 0.70 -0.44 -0.07 1.06 0.00 0.00 176.91 178.09 2jxl h LEU 48 N 0.46 0.00 0.00 1.22 -0.00 -1.21 -3.47 115.31 112.32 2jxl h LEU 48 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2jxl h LEU 48 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2jxl h LEU 48 CO 0.04 0.44 0.00 0.61 -0.00 0.00 0.00 178.44 179.54 2jxl n GLY 49 N 0.57 1.52 3.05 0.83 0.00 -0.70 -5.12 105.19 105.33 2jxl n GLY 49 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jxl n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jxl s GLN 50 N -0.12 0.50 -0.39 1.61 -2.07 -0.62 -5.00 119.66 113.58 2jxl s GLN 50 Ca 0.00 -0.69 0.08 0.00 -1.82 0.00 0.00 55.36 52.93 2jxl s GLN 50 Cb 0.00 -0.28 0.26 0.00 -1.09 0.00 0.00 33.01 31.90 2jxl s GLN 50 CO 0.00 0.05 0.55 0.27 -1.32 0.00 0.00 175.29 174.84 2jxl n ASN 51 N 1.62 0.19 -4.69 12.60 0.23 -1.26 -2.18 115.26 121.77 2jxl n ASN 51 Ca -0.22 -2.74 -0.29 0.00 -0.53 0.00 0.00 54.58 50.80 2jxl n ASN 51 Cb 0.55 -0.59 0.17 0.00 -2.08 0.00 0.00 39.78 37.82 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxl s PRO 52 N -1.29 0.67 0.96 -0.53 0.04 -1.26 -5.00 135.00 128.60 2jxl s PRO 52 Ca 0.35 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 2jxl s PRO 52 Cb 0.19 -1.76 0.09 0.00 0.04 0.00 0.00 34.50 33.06 2jxl s PRO 52 CO -0.11 -2.59 0.62 0.25 0.04 0.00 0.00 177.00 175.21 2jxl n THR 53 N -4.09 0.00 -0.07 1.26 -2.24 -1.26 -4.94 114.28 102.95 2jxl n THR 53 Ca 0.06 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2jxl n THR 53 Cb 0.57 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.75 0.46 0.00 -0.78 0.13 -1.96 -3.09 132.00 125.00 2jxl h PRO 54 Ca -0.45 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.40 2jxl h PRO 54 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2jxl h PRO 54 CO 0.37 0.81 -0.20 0.93 -0.23 0.00 0.00 178.00 179.69 2jxl h GLU 55 N 0.12 0.00 -0.86 0.86 5.08 -1.96 -2.73 114.58 115.09 2jxl h GLU 55 Ca 0.03 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2jxl h GLU 55 Cb 0.73 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2jxl h GLU 55 CO 0.05 0.20 0.56 0.93 -1.00 0.00 0.00 179.01 179.74 2jxl h GLU 56 N 0.00 1.06 -0.06 2.33 4.39 -1.90 -2.06 114.58 118.33 2jxl h GLU 56 Ca -0.00 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jxl h GLU 56 Cb 0.43 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 2jxl h GLU 56 CO 0.03 0.70 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.34 2jxl h LEU 57 N 1.09 -0.50 -2.18 1.33 -0.00 -1.54 -0.66 115.31 112.85 2jxl h LEU 57 Ca 0.34 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 58.29 2jxl h LEU 57 Cb -0.00 0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 2jxl h LEU 57 CO -0.11 -0.22 -0.06 -0.61 -0.00 0.00 0.00 178.44 177.43 2jxl h GLN 58 N -0.24 0.00 0.45 1.13 5.75 -1.59 -2.32 115.11 118.29 2jxl h GLN 58 Ca 0.07 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2jxl h GLN 58 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.90 2jxl h GLN 58 CO -0.20 0.06 -0.21 1.49 -2.65 0.00 0.00 178.83 177.32 2jxl h GLU 59 N 0.00 -0.58 0.00 1.69 4.81 -0.42 0.20 114.58 120.28 2jxl h GLU 59 Ca -0.00 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2jxl h GLU 59 Cb 0.17 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jxl h GLU 59 CO 0.01 -0.36 -0.30 0.52 -0.73 0.00 0.00 179.01 178.15 2jxl h MET 60 N -0.64 0.00 0.00 1.92 2.86 -1.26 -2.58 114.93 115.23 2jxl h MET 60 Ca -0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 2jxl h MET 60 Cb 0.48 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2jxl h MET 60 CO 0.10 0.30 -0.31 0.82 1.06 0.00 0.00 176.91 178.87 2jxl h ILE 61 N 0.00 0.57 -0.17 -1.22 2.04 -1.11 -3.08 117.51 114.54 2jxl h ILE 61 Ca -0.00 -1.65 -0.18 0.00 1.00 0.00 0.00 64.86 64.02 2jxl h ILE 61 Cb 0.69 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2jxl h ILE 61 CO 0.04 0.31 -0.64 -0.78 0.00 0.00 0.00 178.15 177.08 2jxl h ASP 62 N 0.00 0.71 0.10 1.72 3.58 -0.20 0.20 116.42 122.53 2jxl h ASP 62 Ca -0.00 -0.42 -0.17 0.00 0.42 0.00 0.00 57.03 56.86 2jxl h ASP 62 Cb 1.13 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2jxl h ASP 62 CO 0.04 1.17 -0.60 -0.33 -2.88 0.00 0.00 179.24 176.64 2jxl h GLU 63 N 0.46 0.50 0.10 0.28 3.07 -1.56 -3.21 114.58 114.22 2jxl h GLU 63 Ca -0.01 -0.34 -0.27 0.00 -0.50 0.00 0.00 59.36 58.23 2jxl h GLU 63 Cb 1.22 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 2jxl h GLU 63 CO 0.12 0.96 -1.28 -0.39 -1.40 0.00 0.00 179.01 177.02 2jxl h VAL 64 N 0.38 1.44 -0.42 3.13 -1.51 -1.51 -3.40 116.25 114.35 2jxl h VAL 64 Ca -0.00 -3.06 -0.45 0.00 -1.23 0.00 0.00 66.70 61.96 2jxl h VAL 64 Cb 1.16 2.87 -0.03 0.00 -2.13 0.00 0.00 31.29 33.16 2jxl h VAL 64 CO 0.11 0.88 1.51 -0.67 -1.23 0.00 0.00 177.57 178.17 2jxl n ASP 65 N -3.47 3.26 0.28 4.19 2.03 0.70 -4.68 116.55 118.86 2jxl n ASP 65 Ca -0.09 -2.73 0.17 0.00 0.52 0.00 0.00 54.79 52.66 2jxl n ASP 65 Cb 1.02 -1.63 0.70 0.00 -0.72 0.00 0.00 41.12 40.49 2jxl n ASP 65 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2jxl h GLU 66 N 8.97 0.00 -0.01 -0.67 -0.00 -1.81 -2.14 114.58 118.93 2jxl h GLU 66 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.66 2jxl h GLU 66 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.62 2jxl h GLU 66 CO 1.41 0.02 -0.43 -0.40 -0.00 0.00 0.00 179.01 179.61 2jxl n ASP 67 N -3.12 1.09 -3.93 3.06 5.75 -1.26 -4.96 116.55 113.17 2jxl n ASP 67 Ca 0.00 -0.87 -0.30 0.00 -0.01 0.00 0.00 54.79 53.61 2jxl n ASP 67 Cb 0.30 0.31 0.02 0.00 -1.03 0.00 0.00 41.12 40.72 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 1.41 -0.46 0.13 6.12 0.00 -0.81 -4.86 105.19 106.72 2jxl n GLY 68 Ca 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.00 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.40 2jxl h SER 69 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 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 0.67 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 2jxl n GLY 70 N 0.41 0.63 3.47 -0.77 0.00 -1.26 -5.07 105.19 102.59 2jxl n GLY 70 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.02 -0.29 2.61 -4.23 -1.26 -4.78 115.64 105.71 2jxl s THR 71 Ca 0.00 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 2jxl s THR 71 Cb 0.00 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2jxl s THR 71 CO 0.00 -0.11 0.14 -0.69 -0.54 0.00 0.00 174.62 173.43 2jxl s VAL 72 N -4.00 4.74 0.59 2.29 1.01 -1.06 -4.93 120.40 119.03 2jxl s VAL 72 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2jxl s VAL 72 Cb 0.01 -3.32 0.11 0.00 0.00 0.00 0.00 36.38 33.18 2jxl s VAL 72 CO 0.05 0.18 0.81 -0.67 0.00 0.00 0.00 175.10 175.47 2jxl n ASP 73 N 4.99 1.64 0.06 3.32 2.03 -1.26 -2.91 116.55 124.42 2jxl n ASP 73 Ca -0.14 -2.26 0.11 0.00 0.52 0.00 0.00 54.79 53.02 2jxl n ASP 73 Cb 0.50 -0.47 0.57 0.00 -0.72 0.00 0.00 41.12 41.00 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jxl h PHE 74 N -0.19 0.22 0.39 -0.67 3.57 -1.98 0.42 116.94 118.71 2jxl h PHE 74 Ca -0.27 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 2jxl h PHE 74 Cb 1.13 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2jxl h PHE 74 CO 0.00 0.12 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.57 2jxl h ASP 75 N 0.22 -0.44 -0.75 0.41 3.32 -2.00 -2.41 116.42 114.78 2jxl h ASP 75 Ca 0.16 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2jxl h ASP 75 Cb 0.36 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2jxl h ASP 75 CO -0.03 -0.03 0.50 -0.33 -1.72 0.00 0.00 179.24 177.63 2jxl h GLU 76 N -1.08 0.98 -0.77 3.56 5.08 -1.88 -1.97 114.58 118.50 2jxl h GLU 76 Ca -0.05 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2jxl h GLU 76 Cb 0.40 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2jxl h GLU 76 CO 0.09 0.65 0.36 2.35 -1.00 0.00 0.00 179.01 181.46 2jxl h TRP 77 N 1.01 1.11 0.29 4.33 7.01 -0.24 0.67 115.95 130.14 2jxl h TRP 77 Ca 0.28 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 2jxl h TRP 77 Cb -0.11 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.61 2jxl h TRP 77 CO -0.00 0.81 -0.14 1.25 -2.79 0.00 0.00 178.44 177.57 2jxl h LEU 78 N 1.10 -0.33 -1.57 0.65 6.46 -0.83 -3.01 115.31 117.78 2jxl h LEU 78 Ca 0.27 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2jxl h LEU 78 Cb 0.12 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2jxl h LEU 78 CO -0.03 -0.03 -0.01 1.62 -0.62 0.00 0.00 178.44 179.37 2jxl h VAL 79 N -0.64 1.12 -0.59 1.05 3.04 -1.34 -2.65 116.25 116.24 2jxl h VAL 79 Ca -0.04 -0.48 0.10 0.00 -1.01 0.00 0.00 66.70 65.27 2jxl h VAL 79 Cb 0.46 1.00 -0.07 0.00 -2.01 0.00 0.00 31.29 30.66 2jxl h VAL 79 CO 0.07 0.16 0.19 -0.03 -1.01 0.00 0.00 177.57 176.94 2jxl h MET 80 N 0.26 0.34 -0.43 4.17 1.85 -0.73 -1.65 114.93 118.74 2jxl h MET 80 Ca 0.06 -0.02 -0.10 0.00 -0.61 0.00 0.00 59.70 59.04 2jxl h MET 80 Cb 0.19 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 2jxl h MET 80 CO 0.00 0.22 -0.11 1.98 -0.40 0.00 0.00 176.91 178.61 2jxl h MET 81 N 0.35 0.83 -0.18 0.39 -1.53 -1.40 -2.69 114.93 110.70 2jxl h MET 81 Ca 0.30 -0.32 0.05 0.00 -3.44 0.00 0.00 59.70 56.29 2jxl h MET 81 Cb 0.39 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 2jxl h MET 81 CO -0.33 0.95 0.24 0.00 0.14 0.00 0.00 176.91 177.91 2jxl h ALA 82 N 0.86 1.74 0.00 0.39 0.00 -1.18 0.10 119.26 121.18 2jxl h ALA 82 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2jxl h ALA 82 Cb 0.64 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2jxl h ALA 82 CO 0.04 -0.34 -0.07 -0.09 0.00 0.00 0.00 179.25 178.79 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -1.03 -0.97 114.38 114.82 2jxl h ARG 83 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2jxl h ARG 83 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2jxl h ARG 83 CO -0.00 0.07 0.00 0.00 -1.51 0.00 0.00 179.97 178.53 2jxl h MET 85 N 0.00 0.00 0.00 0.00 2.86 -1.31 -2.85 114.93 113.62 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 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2jxl h MET 85 CO 0.00 0.00 0.00 1.17 1.06 0.00 0.00 176.91 179.14 2jxl n LYS 86 N -3.06 0.18 -2.20 1.72 3.00 -0.90 -4.01 118.16 112.90 2jxl n LYS 86 Ca 0.02 0.13 -0.34 0.00 -0.00 0.00 0.00 58.31 58.13 2jxl n LYS 86 Cb 0.41 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.90 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 -2.72 5.54 -1.12 3.14 2.15 -1.08 -3.57 116.67 119.00 2jxl s ASP 87 Ca 0.15 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.55 2jxl s ASP 87 Cb 0.13 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2jxl s ASP 87 CO 0.31 -2.33 0.94 0.47 -0.17 0.00 0.00 175.17 174.40 2jxl n ASP 88 N 12.24 -2.61 -0.31 -0.34 8.00 -1.26 -5.14 116.55 127.12 2jxl n ASP 88 Ca 0.30 -0.56 0.15 0.00 0.71 0.00 0.00 54.79 55.39 2jxl n ASP 88 Cb 0.49 -4.74 0.67 0.00 -0.02 0.00 0.00 41.12 37.52 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57