#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 5.55 0.54 3.17 1.01 -1.26 -4.94 116.67 120.75 2jxl s ASP 2 Ca 0.00 -1.54 0.27 0.00 0.71 0.00 0.00 52.55 52.00 2jxl s ASP 2 Cb 0.00 -1.95 1.56 0.00 1.01 0.00 0.00 42.92 43.53 2jxl s ASP 2 CO 0.00 -0.52 2.13 -0.78 0.21 0.00 0.00 175.17 176.21 2jxl h ASP 3 N 8.34 0.00 0.48 0.27 3.58 -2.06 -1.48 116.42 125.55 2jxl h ASP 3 Ca -0.22 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2jxl h ASP 3 Cb 1.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 2jxl h ASP 3 CO 0.74 0.08 -0.16 -0.29 -2.88 0.00 0.00 179.24 176.73 2jxl h ILE 4 N 0.00 0.61 0.12 2.25 2.10 -2.01 -2.64 117.51 117.94 2jxl h ILE 4 Ca -0.00 -0.70 -0.27 0.00 1.08 0.00 0.00 64.86 64.97 2jxl h ILE 4 Cb 0.22 1.45 0.01 0.00 -1.09 0.00 0.00 36.82 37.41 2jxl h ILE 4 CO 0.01 0.15 -1.22 1.88 -1.08 0.00 0.00 178.15 177.89 2jxl h TYR 5 N 0.00 0.58 -0.76 2.19 -1.99 -1.69 -3.23 116.97 112.07 2jxl h TYR 5 Ca -0.00 -0.40 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 2jxl h TYR 5 Cb 0.44 -0.03 -0.04 0.00 2.00 0.00 0.00 36.73 39.10 2jxl h TYR 5 CO 0.00 1.30 0.44 0.87 -0.00 0.00 0.00 178.16 180.77 2jxl h LYS 6 N 0.11 1.05 0.28 4.88 6.56 -1.47 -2.43 116.57 125.55 2jxl h LYS 6 Ca -0.14 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.33 2jxl h LYS 6 Cb 1.93 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 2jxl h LYS 6 CO 0.21 0.76 -0.13 0.00 -2.06 0.00 0.00 179.45 178.22 2jxl h ALA 7 N 1.23 -0.37 -0.49 3.86 0.00 -1.61 -2.19 119.26 119.69 2jxl h ALA 7 Ca 0.27 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.24 2jxl h ALA 7 Cb -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jxl h ALA 7 CO -0.05 -0.70 0.36 0.00 0.00 0.00 0.00 179.25 178.86 2jxl h ALA 8 N 0.34 2.45 -0.26 0.00 0.00 -1.54 -0.97 119.26 119.29 2jxl h ALA 8 Ca -0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2jxl h ALA 8 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jxl h ALA 8 CO 0.06 -0.61 -0.19 0.28 0.00 0.00 0.00 179.25 178.80 2jxl h VAL 9 N 0.00 1.31 0.00 0.00 2.07 -0.91 -2.83 116.25 115.88 2jxl h VAL 9 Ca 0.23 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2jxl h VAL 9 Cb 0.94 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2jxl h VAL 9 CO -0.00 0.41 0.00 -0.33 0.02 0.00 0.00 177.57 177.67 2jxl h GLU 10 N 0.31 0.00 -0.09 1.57 5.08 -0.73 -1.06 114.58 119.67 2jxl h GLU 10 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jxl h GLU 10 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jxl h GLU 10 CO 0.05 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 2jxl n GLN 11 N -3.03 1.55 -1.05 2.33 6.02 -0.96 -4.91 117.38 117.33 2jxl n GLN 11 Ca -0.01 -0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 55.87 2jxl n GLN 11 Cb 0.20 -1.41 0.20 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.71 1.28 0.59 1.08 1.43 -0.40 -4.97 118.68 115.97 2jxl s LEU 12 Ca 0.34 1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 54.39 2jxl s LEU 12 Cb 0.18 -3.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.16 2jxl s LEU 12 CO 0.28 -3.48 1.30 -0.89 0.23 0.00 0.00 176.35 173.79 2jxl s THR 13 N -2.89 2.21 0.25 5.49 2.01 -1.26 -4.82 115.64 116.63 2jxl s THR 13 Ca 0.67 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.77 2jxl s THR 13 Cb -0.19 -3.07 0.22 0.00 0.01 0.00 0.00 72.50 69.48 2jxl s THR 13 CO 0.59 -0.02 1.80 -0.33 -0.69 0.00 0.00 174.62 175.97 2jxl h GLU 14 N 1.04 0.73 -0.44 4.92 4.39 -1.96 -0.59 114.58 122.67 2jxl h GLU 14 Ca -0.51 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.08 2jxl h GLU 14 Cb 1.31 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2jxl h GLU 14 CO 0.55 0.48 -0.02 0.93 -1.16 0.00 0.00 179.01 179.79 2jxl h GLU 15 N 0.75 0.72 0.47 2.33 5.08 -1.98 -1.87 114.58 120.08 2jxl h GLU 15 Ca 0.41 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2jxl h GLU 15 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jxl h GLU 15 CO -0.27 0.75 -0.23 1.96 -1.00 0.00 0.00 179.01 180.22 2jxl h GLN 16 N 0.68 -0.61 -1.01 2.33 4.20 -1.48 0.23 115.11 119.45 2jxl h GLN 16 Ca 0.13 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.91 2jxl h GLN 16 Cb 0.45 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 2jxl h GLN 16 CO 0.02 -0.37 0.66 0.87 -0.67 0.00 0.00 178.83 179.34 2jxl h LYS 17 N -0.69 1.29 -0.50 1.46 1.79 -1.33 -1.21 116.57 117.37 2jxl h LYS 17 Ca -0.06 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.21 2jxl h LYS 17 Cb 0.51 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2jxl h LYS 17 CO 0.11 0.85 -0.13 -0.97 -1.08 0.00 0.00 179.45 178.22 2jxl h ASN 18 N 1.32 0.96 -0.55 0.86 -1.24 -1.16 -2.12 115.58 113.65 2jxl h ASN 18 Ca 0.38 -0.32 -0.08 0.00 0.71 0.00 0.00 56.30 56.99 2jxl h ASN 18 Cb -0.08 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.68 2jxl h ASN 18 CO -0.10 1.09 0.05 -0.33 -1.29 0.00 0.00 177.43 176.86 2jxl h GLU 19 N 0.85 0.97 -0.07 6.67 4.39 0.09 0.29 114.58 127.77 2jxl h GLU 19 Ca 0.13 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 2jxl h GLU 19 Cb 0.68 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2jxl h GLU 19 CO 0.05 0.92 -0.00 0.74 -1.16 0.00 0.00 179.01 179.56 2jxl h PHE 20 N 0.91 0.14 -0.07 4.33 0.04 -1.09 0.16 116.94 121.36 2jxl h PHE 20 Ca 0.18 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 2jxl h PHE 20 Cb 0.45 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2jxl h PHE 20 CO 0.03 0.40 -0.49 -0.22 -0.60 0.00 0.00 178.31 177.43 2jxl h LYS 21 N -0.17 0.17 -0.15 1.51 3.64 -1.31 0.26 116.57 120.52 2jxl h LYS 21 Ca 0.02 -0.09 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 2jxl h LYS 21 Cb 0.35 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2jxl h LYS 21 CO 0.00 0.63 -0.73 0.00 -2.27 0.00 0.00 179.45 177.09 2jxl h ALA 22 N 1.36 0.29 0.13 5.00 0.00 -0.32 -2.99 119.26 122.72 2jxl h ALA 22 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.05 2jxl h ALA 22 Cb 0.92 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jxl h ALA 22 CO 0.07 0.63 -1.23 0.00 0.00 0.00 0.00 179.25 178.72 2jxl h ALA 23 N 0.54 0.09 -0.55 0.00 0.00 -0.62 -3.28 119.26 115.44 2jxl h ALA 23 Ca -0.05 -0.85 0.03 0.00 0.00 0.00 0.00 54.91 54.05 2jxl h ALA 23 Cb 1.36 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 2jxl h ALA 23 CO 0.15 0.88 0.37 0.35 0.00 0.00 0.00 179.25 181.00 2jxl h PHE 24 N 0.12 0.62 0.00 0.00 3.04 -0.55 0.00 116.94 120.19 2jxl h PHE 24 Ca -0.15 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.80 2jxl h PHE 24 Cb 1.94 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 40.23 2jxl h PHE 24 CO 0.08 0.37 -0.09 0.22 -2.02 0.00 0.00 178.31 176.87 2jxl h ASP 25 N 0.65 0.00 -0.09 0.41 3.58 -1.58 -2.91 116.42 116.49 2jxl h ASP 25 Ca 0.22 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 2jxl h ASP 25 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2jxl h ASP 25 CO -0.06 0.09 -0.29 0.40 -2.88 0.00 0.00 179.24 176.50 2jxl h ILE 26 N 0.00 1.41 -0.42 2.25 1.08 -1.09 0.36 117.51 121.10 2jxl h ILE 26 Ca -0.00 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2jxl h ILE 26 Cb 0.44 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2jxl h ILE 26 CO 0.01 0.48 0.27 -0.26 -0.69 0.00 0.00 178.15 177.96 2jxl h PHE 27 N -0.12 0.53 -0.00 1.37 -1.00 -1.42 -2.09 116.94 114.21 2jxl h PHE 27 Ca -0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jxl h PHE 27 Cb 0.92 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2jxl h PHE 27 CO 0.12 0.34 -0.24 1.55 -1.61 0.00 0.00 178.31 178.47 2jxl n VAL 28 N -4.79 0.00 0.10 -0.55 3.14 -1.13 -3.95 118.33 111.16 2jxl n VAL 28 Ca 0.01 -0.04 0.20 0.00 -2.96 0.00 0.00 64.34 61.55 2jxl n VAL 28 Cb 0.03 0.01 0.70 0.00 -1.06 0.00 0.00 33.84 33.51 2jxl n VAL 28 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2jxl h LEU 29 N 0.35 0.00 0.00 6.55 8.10 0.47 0.41 115.31 131.19 2jxl h LEU 29 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.80 2jxl h LEU 29 Cb 0.46 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.64 2jxl h LEU 29 CO 0.00 0.00 -1.47 0.61 -4.11 0.00 0.00 178.44 173.47 2jxl n GLY 30 N -1.47 -1.16 3.79 0.17 0.00 -1.25 -4.92 105.19 100.35 2jxl n GLY 30 Ca 0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.88 2.83 -1.56 4.61 0.00 0.14 -4.96 121.76 119.94 2jxl s ALA 31 Ca -0.03 0.61 0.15 0.00 0.00 0.00 0.00 51.96 52.69 2jxl s ALA 31 Cb 0.09 -3.27 0.28 0.00 0.00 0.00 0.00 23.12 20.22 2jxl s ALA 31 CO 0.81 -0.44 1.18 -0.85 0.00 0.00 0.00 175.76 176.46 2jxl n GLU 32 N -1.16 2.05 -0.06 0.00 0.28 -1.26 -4.44 120.64 116.04 2jxl n GLU 32 Ca 0.10 -1.87 -0.07 0.00 -0.16 0.00 0.00 57.16 55.15 2jxl n GLU 32 Cb 0.52 -1.33 -0.09 0.00 1.43 0.00 0.00 31.44 31.97 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jxl n ASP 33 N 0.88 2.32 0.00 -1.84 -0.08 -1.26 -5.04 116.55 111.52 2jxl n ASP 33 Ca 0.13 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2jxl n ASP 33 Cb 0.44 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.36 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jxl n GLY 34 N 2.43 0.94 3.58 0.27 0.00 -1.26 -5.13 105.19 106.02 2jxl n GLY 34 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.28 1.12 0.17 0.00 1.01 -1.23 -4.57 121.20 114.43 2jxl s ILE 36 Ca 0.25 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 2jxl s ILE 36 Cb -0.01 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2jxl s ILE 36 CO 0.15 -0.12 0.40 -0.94 0.00 0.00 0.00 174.94 174.43 2jxl s SER 37 N 1.59 6.48 0.53 3.58 1.04 -1.26 -0.85 113.70 124.81 2jxl s SER 37 Ca -0.03 0.60 0.30 0.00 0.48 0.00 0.00 55.95 57.30 2jxl s SER 37 Cb -0.18 -2.09 1.46 0.00 0.10 0.00 0.00 66.02 65.30 2jxl s SER 37 CO -0.07 0.01 1.89 0.00 0.98 0.00 0.00 173.24 176.05 2jxl h THR 38 N 1.92 0.57 -0.16 2.02 1.03 -1.95 0.25 112.91 116.59 2jxl h THR 38 Ca -0.46 -0.01 -0.00 0.00 -0.01 0.00 0.00 66.41 65.92 2jxl h THR 38 Cb 1.17 0.54 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 2jxl h THR 38 CO 0.71 0.00 0.08 0.50 -0.01 0.00 0.00 175.52 176.81 2jxl h LYS 39 N 0.03 0.22 0.12 0.00 3.64 -1.93 0.18 116.57 118.83 2jxl h LYS 39 Ca 0.42 -0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.49 2jxl h LYS 39 Cb 1.65 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.44 2jxl h LYS 39 CO -0.02 0.26 -1.21 0.93 -2.27 0.00 0.00 179.45 177.14 2jxl h GLU 40 N 0.14 0.47 -0.61 1.90 5.08 -1.41 -3.31 114.58 116.83 2jxl h GLU 40 Ca 0.05 -0.66 -0.03 0.00 -1.00 0.00 0.00 59.36 57.72 2jxl h GLU 40 Cb 0.10 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2jxl h GLU 40 CO -0.01 1.28 0.25 1.25 -1.00 0.00 0.00 179.01 180.79 2jxl h LEU 41 N 0.19 0.84 -2.14 1.33 5.85 -0.55 -2.26 115.31 118.57 2jxl h LEU 41 Ca -0.16 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.46 2jxl h LEU 41 Cb 1.89 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 2jxl h LEU 41 CO 0.22 0.78 0.29 1.23 -0.34 0.00 0.00 178.44 180.62 2jxl h GLY 42 N 0.86 0.00 0.46 3.75 0.00 -0.72 -2.05 103.07 105.37 2jxl h GLY 42 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jxl h GLY 42 CO -0.02 0.00 -0.08 0.50 0.00 0.00 0.00 176.54 176.95 2jxl h LYS 43 N 0.00 -0.21 -0.61 4.80 1.79 -1.52 -3.11 116.57 117.72 2jxl h LYS 43 Ca 0.10 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 58.77 2jxl h LYS 43 Cb 0.69 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 2jxl h LYS 43 CO -0.00 0.22 0.56 -0.24 -1.08 0.00 0.00 179.45 178.91 2jxl h VAL 44 N -0.76 0.41 -0.80 0.50 3.04 -1.40 0.91 116.25 118.16 2jxl h VAL 44 Ca -0.02 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.90 2jxl h VAL 44 Cb 0.52 0.57 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 2jxl h VAL 44 CO 0.04 0.00 0.58 0.24 -1.01 0.00 0.00 177.57 177.42 2jxl h MET 45 N 0.00 0.00 -0.47 4.17 2.86 -1.45 0.24 114.93 120.28 2jxl h MET 45 Ca 0.29 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.88 2jxl h MET 45 Cb 1.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.05 2jxl h MET 45 CO -0.00 0.00 0.10 0.07 1.06 0.00 0.00 176.91 178.14 2jxl h ARG 46 N 0.00 0.71 -0.50 1.72 0.11 -0.75 -0.32 114.38 115.35 2jxl h ARG 46 Ca 0.38 -0.14 -0.11 0.00 0.10 0.00 0.00 59.98 60.21 2jxl h ARG 46 Cb 1.54 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.49 2jxl h ARG 46 CO -0.00 0.66 -0.10 0.52 0.10 0.00 0.00 179.97 181.14 2jxl h MET 47 N 0.69 0.96 0.00 0.08 2.86 -0.68 -2.74 114.93 116.10 2jxl h MET 47 Ca 0.15 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 2jxl h MET 47 Cb 0.27 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2jxl h MET 47 CO -0.00 1.02 -0.22 -0.07 1.06 0.00 0.00 176.91 178.70 2jxl h LEU 48 N 0.82 0.00 0.00 1.22 3.38 -1.37 -3.46 115.31 115.90 2jxl h LEU 48 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jxl h LEU 48 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jxl h LEU 48 CO 0.05 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.41 2jxl n GLY 49 N -0.17 1.21 3.06 0.83 0.00 -0.78 -5.11 105.19 104.23 2jxl n GLY 49 Ca -0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.01 0.77 -0.40 1.61 -0.21 -0.20 -5.01 119.66 116.21 2jxl s GLN 50 Ca 0.00 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 54.99 2jxl s GLN 50 Cb 0.00 -0.73 0.27 0.00 1.00 0.00 0.00 33.01 33.55 2jxl s GLN 50 CO 0.00 0.19 0.58 0.27 -2.12 0.00 0.00 175.29 174.21 2jxl n ASN 51 N 2.47 0.57 -4.70 5.90 0.23 -1.26 -3.14 115.26 115.33 2jxl n ASN 51 Ca -0.16 -2.81 -0.29 0.00 -0.53 0.00 0.00 54.58 50.79 2jxl n ASN 51 Cb 0.56 -0.64 0.15 0.00 -2.08 0.00 0.00 39.78 37.78 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 -1.54 0.93 0.93 -0.53 0.04 -1.26 -5.00 135.00 128.58 2jxl s PRO 52 Ca 0.36 0.70 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 2jxl s PRO 52 Cb 0.21 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 33.05 2jxl s PRO 52 CO -0.10 -2.43 0.76 0.25 0.04 0.00 0.00 177.00 175.52 2jxl n THR 53 N -4.00 0.06 -0.03 1.26 -2.24 -1.26 -4.89 114.28 103.18 2jxl n THR 53 Ca 0.06 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2jxl n THR 53 Cb 0.56 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.69 0.16 0.00 -0.78 0.13 -1.99 -3.05 132.00 124.77 2jxl h PRO 54 Ca -0.43 -0.08 -0.04 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.60 -0.19 0.93 -0.23 0.00 0.00 178.00 179.49 2jxl h GLU 55 N -0.27 0.00 -0.49 0.86 5.08 -2.01 -2.66 114.58 115.09 2jxl h GLU 55 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2jxl h GLU 55 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2jxl h GLU 55 CO 0.02 0.19 0.11 1.49 -1.00 0.00 0.00 179.01 179.82 2jxl h GLU 56 N 0.00 0.78 0.17 2.33 4.81 -1.91 -2.20 114.58 118.56 2jxl h GLU 56 Ca -0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2jxl h GLU 56 Cb 0.36 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2jxl h GLU 56 CO 0.02 0.77 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.71 2jxl h LEU 57 N 0.67 -0.81 -2.44 1.64 3.38 -1.37 -0.99 115.31 115.38 2jxl h LEU 57 Ca 0.15 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2jxl h LEU 57 Cb 0.34 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2jxl h LEU 57 CO 0.00 -0.39 -0.01 -0.61 0.09 0.00 0.00 178.44 177.52 2jxl h GLN 58 N -0.54 0.00 0.35 1.13 5.75 -1.54 -2.56 115.11 117.71 2jxl h GLN 58 Ca 0.02 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 2jxl h GLN 58 Cb 0.54 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.09 2jxl h GLN 58 CO -0.13 0.01 -0.18 1.49 -2.65 0.00 0.00 178.83 177.37 2jxl h GLU 59 N 0.00 -0.47 0.00 1.69 4.57 -0.52 0.86 114.58 120.70 2jxl h GLU 59 Ca -0.00 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 2jxl h GLU 59 Cb 0.04 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2jxl h GLU 59 CO 0.00 -0.32 -0.34 0.52 -1.18 0.00 0.00 179.01 177.70 2jxl h MET 60 N -0.49 0.00 0.00 1.92 2.86 -1.27 -2.52 114.93 115.43 2jxl h MET 60 Ca -0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2jxl h MET 60 Cb 0.39 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2jxl h MET 60 CO 0.07 0.34 -0.22 0.82 1.06 0.00 0.00 176.91 178.97 2jxl h ILE 61 N 0.00 0.45 -0.05 -1.22 2.04 -1.08 -2.97 117.51 114.68 2jxl h ILE 61 Ca -0.00 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 2jxl h ILE 61 Cb 0.70 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2jxl h ILE 61 CO 0.04 0.22 0.00 -0.78 0.00 0.00 0.00 178.15 177.64 2jxl h ASP 62 N 0.00 0.08 0.94 1.72 3.58 -0.37 0.29 116.42 122.66 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 0.94 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 2jxl h ASP 62 CO 0.03 0.35 -0.18 -0.08 -2.88 0.00 0.00 179.24 176.48 2jxl h GLU 63 N -0.19 0.00 0.00 0.28 4.81 -1.61 -3.22 114.58 114.66 2jxl h GLU 63 Ca 0.01 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2jxl h GLU 63 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2jxl h GLU 63 CO 0.00 0.18 -0.17 0.28 -0.73 0.00 0.00 179.01 178.57 2jxl h VAL 64 N 0.00 1.69 -2.18 0.32 2.07 -1.34 -3.44 116.25 113.37 2jxl h VAL 64 Ca -0.00 -2.33 -0.56 0.00 0.82 0.00 0.00 66.70 64.63 2jxl h VAL 64 Cb 0.69 3.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 2jxl h VAL 64 CO 0.02 0.58 1.42 -0.62 0.02 0.00 0.00 177.57 178.99 2jxl s ASP 65 N -6.31 5.45 0.35 0.57 -1.08 0.10 -4.83 116.67 110.91 2jxl s ASP 65 Ca -0.20 1.43 0.08 0.00 -0.52 0.00 0.00 52.55 53.34 2jxl s ASP 65 Cb -0.02 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.57 2jxl s ASP 65 CO 0.68 -2.04 1.83 -0.33 0.52 0.00 0.00 175.17 175.83 2jxl h GLU 66 N 14.93 0.25 -0.00 4.34 4.39 -1.85 -2.55 114.58 134.10 2jxl h GLU 66 Ca -0.35 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2jxl h GLU 66 Cb 1.21 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2jxl h GLU 66 CO 1.04 0.48 -0.70 -0.40 -1.16 0.00 0.00 179.01 178.27 2jxl n ASP 67 N -4.18 1.18 -3.80 1.42 5.75 -1.26 -4.98 116.55 110.69 2jxl n ASP 67 Ca -0.01 -0.99 -0.27 0.00 -0.01 0.00 0.00 54.79 53.51 2jxl n ASP 67 Cb 0.35 0.64 0.04 0.00 -1.03 0.00 0.00 41.12 41.12 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 -0.49 0.20 6.12 0.00 -0.96 -4.86 105.19 106.66 2jxl n GLY 68 Ca 0.06 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.23 0.00 0.00 1.61 4.64 -1.93 -3.47 113.55 112.17 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 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 2jxl n GLY 70 N 0.86 0.99 3.18 -0.77 0.00 -1.26 -5.09 105.19 103.11 2jxl n GLY 70 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.14 -0.24 2.61 -4.23 -1.26 -3.91 115.64 106.76 2jxl s THR 71 Ca 0.00 -1.16 -0.09 0.00 -1.18 0.00 0.00 61.69 59.26 2jxl s THR 71 Cb 0.00 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 2jxl s THR 71 CO 0.00 -0.64 0.12 -0.69 -0.54 0.00 0.00 174.62 172.87 2jxl s VAL 72 N -3.49 4.93 0.38 2.29 1.01 -0.03 -4.79 120.40 120.71 2jxl s VAL 72 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.08 2jxl s VAL 72 Cb 0.03 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 2jxl s VAL 72 CO -0.09 0.35 0.55 -1.81 0.00 0.00 0.00 175.10 174.10 2jxl s ASP 73 N 1.17 5.90 0.47 3.32 1.11 -1.26 -3.48 116.67 123.90 2jxl s ASP 73 Ca 0.06 -0.04 0.25 0.00 0.18 0.00 0.00 52.55 53.01 2jxl s ASP 73 Cb -0.14 -1.30 1.29 0.00 1.07 0.00 0.00 42.92 43.84 2jxl s ASP 73 CO 0.05 -0.55 1.83 0.15 1.18 0.00 0.00 175.17 177.83 2jxl h PHE 74 N 0.70 0.32 0.75 4.23 3.57 -1.97 0.48 116.94 125.01 2jxl h PHE 74 Ca -0.46 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 2jxl h PHE 74 Cb 1.26 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.91 2jxl h PHE 74 CO 0.43 0.05 -0.36 0.22 -2.23 0.00 0.00 178.31 176.42 2jxl h ASP 75 N 0.21 -0.85 0.60 0.41 3.58 -2.01 -2.31 116.42 116.06 2jxl h ASP 75 Ca 0.51 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.98 2jxl h ASP 75 Cb 1.63 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.90 2jxl h ASP 75 CO -0.13 -0.47 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.36 2jxl h GLU 76 N -1.27 0.00 -0.22 0.28 5.08 -1.68 -2.81 114.58 113.95 2jxl h GLU 76 Ca -0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2jxl h GLU 76 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2jxl h GLU 76 CO 0.17 0.06 -0.08 2.35 -1.00 0.00 0.00 179.01 180.51 2jxl h TRP 77 N 0.00 0.50 0.22 4.33 7.01 0.02 0.14 115.95 128.17 2jxl h TRP 77 Ca -0.00 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 2jxl h TRP 77 Cb 0.38 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2jxl h TRP 77 CO 0.00 0.70 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.18 2jxl h LEU 78 N 0.16 -0.25 -1.70 0.65 3.38 -1.17 -2.90 115.31 113.48 2jxl h LEU 78 Ca 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2jxl h LEU 78 Cb 0.56 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jxl h LEU 78 CO 0.03 0.04 0.01 -0.37 0.09 0.00 0.00 178.44 178.24 2jxl h VAL 79 N -0.55 1.09 0.47 1.22 -1.51 -1.58 -1.24 116.25 114.15 2jxl h VAL 79 Ca -0.03 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.10 2jxl h VAL 79 Cb 0.41 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2jxl h VAL 79 CO 0.05 0.11 -0.35 -0.03 -1.23 0.00 0.00 177.57 176.12 2jxl h MET 80 N 0.20 -0.78 -0.21 5.19 1.85 -0.80 -2.62 114.93 117.76 2jxl h MET 80 Ca 0.05 0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 59.09 2jxl h MET 80 Cb 0.12 0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.31 2jxl h MET 80 CO 0.00 -0.52 -0.31 0.00 -0.40 0.00 0.00 176.91 175.68 2jxl h MET 81 N -0.80 0.43 -0.47 0.39 -0.00 -1.33 -2.74 114.93 110.41 2jxl h MET 81 Ca -0.05 -0.18 0.14 0.00 -0.00 0.00 0.00 59.70 59.61 2jxl h MET 81 Cb 0.68 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.25 2jxl h MET 81 CO 0.01 0.69 0.41 0.00 -0.00 0.00 0.00 176.91 178.02 2jxl h ALA 82 N 1.30 2.29 0.00 -3.00 0.00 -0.94 0.26 119.26 119.17 2jxl h ALA 82 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jxl h ALA 82 Cb 0.73 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jxl h ALA 82 CO 0.06 -0.65 -0.08 -0.09 0.00 0.00 0.00 179.25 178.48 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -1.15 -0.94 114.38 114.72 2jxl h ARG 83 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2jxl h ARG 83 Cb 1.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2jxl h ARG 83 CO -0.00 0.08 0.00 0.00 -1.51 0.00 0.00 179.97 178.54 2jxl h MET 85 N 0.00 -0.04 -2.30 0.00 2.86 -1.29 -3.34 114.93 110.82 2jxl h MET 85 Ca 0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 2jxl h MET 85 Cb 0.42 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 2jxl h MET 85 CO 0.00 0.44 0.40 1.63 1.06 0.00 0.00 176.91 180.45 2jxl n LYS 86 N -4.74 2.03 0.13 1.72 4.76 -1.21 -4.35 118.16 116.51 2jxl n LYS 86 Ca -0.05 -1.08 -0.00 0.00 -2.87 0.00 0.00 58.31 54.30 2jxl n LYS 86 Cb 0.24 -2.08 0.10 0.00 -1.84 0.00 0.00 35.03 31.45 2jxl n LYS 86 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2jxl h ASP 87 N 3.72 0.00 -3.80 4.39 3.58 -1.70 -3.46 116.42 119.15 2jxl h ASP 87 Ca 0.28 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.73 2jxl h ASP 87 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2jxl h ASP 87 CO 0.52 0.63 0.00 -0.67 -2.88 0.00 0.00 179.24 176.84 2jxl n ASP 88 N -3.46 0.00 0.00 2.28 2.03 -1.26 -5.17 116.55 110.97 2jxl n ASP 88 Ca 0.00 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.33 2jxl n ASP 88 Cb 0.71 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08