#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 3.37 0.56 6.12 -1.08 -1.26 -5.01 116.67 119.36 2jxl s ASP 2 Ca 0.00 -0.71 0.29 0.00 -0.52 0.00 0.00 52.55 51.62 2jxl s ASP 2 Cb 0.00 -0.27 1.64 0.00 -1.46 0.00 0.00 42.92 42.83 2jxl s ASP 2 CO 0.00 0.19 2.15 -2.24 0.52 0.00 0.00 175.17 175.79 2jxl h ASP 3 N 3.98 0.00 -0.04 -0.34 3.04 -2.05 -1.98 116.42 119.03 2jxl h ASP 3 Ca -0.50 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.28 2jxl h ASP 3 Cb 1.17 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.45 2jxl h ASP 3 CO 0.40 0.07 0.02 -0.29 -2.04 0.00 0.00 179.24 177.41 2jxl h ILE 4 N 0.00 1.03 0.17 4.15 2.10 -2.00 -1.88 117.51 121.08 2jxl h ILE 4 Ca -0.00 -0.08 -0.31 0.00 1.08 0.00 0.00 64.86 65.55 2jxl h ILE 4 Cb 0.21 0.96 0.01 0.00 -1.09 0.00 0.00 36.82 36.91 2jxl h ILE 4 CO 0.01 0.03 -1.41 1.88 -1.08 0.00 0.00 178.15 177.58 2jxl h TYR 5 N 0.08 0.66 -0.58 2.19 0.05 -1.73 -3.14 116.97 114.50 2jxl h TYR 5 Ca 0.02 -0.48 -0.01 0.00 0.05 0.00 0.00 58.73 58.32 2jxl h TYR 5 Cb 0.02 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 2jxl h TYR 5 CO 0.00 1.42 0.33 0.87 -1.05 0.00 0.00 178.16 179.73 2jxl h LYS 6 N 0.10 0.79 -0.02 4.88 6.56 -1.38 -2.19 116.57 125.31 2jxl h LYS 6 Ca -0.21 -0.08 -0.07 0.00 -1.06 0.00 0.00 60.65 59.23 2jxl h LYS 6 Cb 2.05 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 33.54 2jxl h LYS 6 CO 0.22 0.59 -0.33 0.00 -2.06 0.00 0.00 179.45 177.86 2jxl h ALA 7 N 1.16 1.42 0.45 3.86 0.00 -1.47 -2.49 119.26 122.19 2jxl h ALA 7 Ca 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jxl h ALA 7 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jxl h ALA 7 CO -0.04 0.43 -0.22 0.00 0.00 0.00 0.00 179.25 179.43 2jxl h ALA 8 N 1.64 -0.60 -0.06 0.00 0.00 -1.35 -2.70 119.26 116.18 2jxl h ALA 8 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2jxl h ALA 8 Cb 0.60 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jxl h ALA 8 CO 0.04 -0.80 -0.15 -0.39 0.00 0.00 0.00 179.25 177.95 2jxl h VAL 9 N -0.68 1.14 0.00 0.00 -1.51 -1.44 -1.48 116.25 112.28 2jxl h VAL 9 Ca -0.06 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2jxl h VAL 9 Cb 0.50 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 2jxl h VAL 9 CO 0.10 0.19 0.00 -0.33 -1.23 0.00 0.00 177.57 176.31 2jxl h GLU 10 N 0.09 0.00 -0.00 5.19 5.08 -1.18 -0.91 114.58 122.84 2jxl h GLU 10 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jxl h GLU 10 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jxl h GLU 10 CO 0.02 0.00 -0.20 1.04 -1.00 0.00 0.00 179.01 178.87 2jxl n GLN 11 N -2.89 0.63 -1.10 2.33 6.02 -0.56 -4.91 117.38 116.91 2jxl n GLN 11 Ca -0.01 -0.29 -0.30 0.00 -0.01 0.00 0.00 57.00 56.39 2jxl n GLN 11 Cb 0.19 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.10 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 -2.57 2.36 0.39 1.08 1.43 -0.35 -5.04 118.68 115.98 2jxl s LEU 12 Ca 0.24 1.64 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2jxl s LEU 12 Cb 0.19 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 2jxl s LEU 12 CO 0.52 -2.71 0.61 0.28 0.23 0.00 0.00 176.35 175.28 2jxl s THR 13 N -2.85 4.81 0.32 5.49 -1.32 -1.26 -4.90 115.64 115.93 2jxl s THR 13 Ca 0.64 -0.38 0.08 0.00 -1.21 0.00 0.00 61.69 60.83 2jxl s THR 13 Cb -0.19 -3.77 0.31 0.00 -1.51 0.00 0.00 72.50 67.34 2jxl s THR 13 CO 0.58 -0.55 1.75 -0.33 -2.21 0.00 0.00 174.62 173.86 2jxl h GLU 14 N 0.59 0.63 -0.15 7.08 3.07 -1.99 0.34 114.58 124.16 2jxl h GLU 14 Ca -0.48 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.32 2jxl h GLU 14 Cb 1.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2jxl h GLU 14 CO 0.60 0.42 0.01 0.93 -1.40 0.00 0.00 179.01 179.57 2jxl h GLU 15 N 0.65 0.25 -0.63 2.33 5.08 -1.98 -1.11 114.58 119.16 2jxl h GLU 15 Ca 0.62 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.92 2jxl h GLU 15 Cb 1.10 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2jxl h GLU 15 CO -0.43 0.46 0.41 1.96 -1.00 0.00 0.00 179.01 180.41 2jxl h GLN 16 N 0.01 0.80 -0.57 2.33 1.08 -1.46 -0.40 115.11 116.89 2jxl h GLN 16 Ca 0.04 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 2jxl h GLN 16 Cb 0.34 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2jxl h GLN 16 CO 0.01 0.53 0.07 0.87 -0.95 0.00 0.00 178.83 179.35 2jxl h LYS 17 N 0.82 0.93 0.00 1.46 1.57 -0.94 -2.33 116.57 118.08 2jxl h LYS 17 Ca 0.24 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2jxl h LYS 17 Cb -0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 2jxl h LYS 17 CO -0.07 0.88 -0.28 -0.91 -0.57 0.00 0.00 179.45 178.50 2jxl h ASN 18 N 0.88 0.00 0.56 0.86 2.35 -0.64 -1.80 115.58 117.78 2jxl h ASN 18 Ca 0.18 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2jxl h ASN 18 Cb 0.42 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.79 2jxl h ASN 18 CO 0.01 0.28 -0.27 -0.33 -1.65 0.00 0.00 177.43 175.47 2jxl h GLU 19 N 0.00 -0.72 -0.29 0.81 5.08 -0.53 -2.53 114.58 116.40 2jxl h GLU 19 Ca -0.00 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2jxl h GLU 19 Cb 0.75 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2jxl h GLU 19 CO 0.04 -0.42 -0.14 0.27 -1.00 0.00 0.00 179.01 177.76 2jxl h PHE 20 N -1.10 0.54 -0.45 4.33 -5.15 -1.55 -2.52 116.94 111.04 2jxl h PHE 20 Ca -0.08 -0.09 0.01 0.00 -0.20 0.00 0.00 57.97 57.62 2jxl h PHE 20 Cb 0.63 -0.14 -0.02 0.00 0.22 0.00 0.00 35.95 36.63 2jxl h PHE 20 CO 0.01 0.62 0.30 -0.22 -2.00 0.00 0.00 178.31 177.01 2jxl h LYS 21 N 0.46 0.55 0.00 6.09 3.64 -1.35 0.12 116.57 126.08 2jxl h LYS 21 Ca 0.08 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.33 2jxl h LYS 21 Cb 0.51 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2jxl h LYS 21 CO 0.03 0.36 -0.52 0.00 -2.27 0.00 0.00 179.45 177.05 2jxl h ALA 22 N 1.73 0.69 0.15 5.00 0.00 -1.04 -3.30 119.26 122.50 2jxl h ALA 22 Ca 0.17 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 2jxl h ALA 22 Cb -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jxl h ALA 22 CO -0.04 0.59 -1.32 0.00 0.00 0.00 0.00 179.25 178.48 2jxl h ALA 23 N 1.54 0.08 -0.13 0.00 0.00 -0.86 -3.27 119.26 116.62 2jxl h ALA 23 Ca -0.01 -0.91 0.04 0.00 0.00 0.00 0.00 54.91 54.02 2jxl h ALA 23 Cb 1.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2jxl h ALA 23 CO 0.06 0.95 0.10 0.35 0.00 0.00 0.00 179.25 180.72 2jxl h PHE 24 N 0.08 0.00 -0.33 0.00 3.57 -0.89 -1.73 116.94 117.65 2jxl h PHE 24 Ca -0.17 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.27 2jxl h PHE 24 Cb 2.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 2jxl h PHE 24 CO 0.07 0.00 -0.05 0.22 -2.23 0.00 0.00 178.31 176.33 2jxl h ASP 25 N 0.00 0.62 0.34 0.41 3.58 -1.66 -1.55 116.42 118.16 2jxl h ASP 25 Ca 0.06 -0.34 -0.04 0.00 0.42 0.00 0.00 57.03 57.13 2jxl h ASP 25 Cb 0.27 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2jxl h ASP 25 CO -0.00 0.82 -0.19 0.40 -2.88 0.00 0.00 179.24 177.39 2jxl h ILE 26 N 0.41 0.85 0.12 2.25 5.03 -1.44 -1.16 117.51 123.57 2jxl h ILE 26 Ca 0.09 -0.72 -0.29 0.00 -0.12 0.00 0.00 64.86 63.82 2jxl h ILE 26 Cb 0.53 1.42 0.03 0.00 -3.03 0.00 0.00 36.82 35.77 2jxl h ILE 26 CO 0.03 0.19 -1.19 -0.26 -0.68 0.00 0.00 178.15 176.23 2jxl h PHE 27 N 0.00 0.97 -0.10 1.37 -1.00 -1.22 -3.20 116.94 113.76 2jxl h PHE 27 Ca -0.00 -0.61 0.00 0.00 2.81 0.00 0.00 57.97 60.17 2jxl h PHE 27 Cb 0.41 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2jxl h PHE 27 CO 0.00 1.45 0.00 1.33 -1.61 0.00 0.00 178.31 179.48 2jxl n VAL 28 N -3.84 0.13 0.22 -0.55 0.24 -0.60 -3.98 118.33 109.95 2jxl n VAL 28 Ca -0.14 -0.19 0.18 0.00 -2.04 0.00 0.00 64.34 62.14 2jxl n VAL 28 Cb 0.96 0.07 0.86 0.00 -1.47 0.00 0.00 33.84 34.26 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 1.17 0.00 0.01 1.34 3.38 -1.21 -0.28 115.31 119.71 2jxl h LEU 29 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2jxl h LEU 29 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2jxl h LEU 29 CO 0.00 0.00 -1.37 1.23 0.09 0.00 0.00 178.44 178.39 2jxl h GLY 30 N 0.00 0.01 -0.94 0.83 0.00 -1.83 -3.47 103.07 97.68 2jxl h GLY 30 Ca 0.08 -0.03 -0.48 0.00 0.00 0.00 0.00 47.33 46.90 2jxl h GLY 30 CO -0.00 0.03 0.31 0.00 0.00 0.00 0.00 176.54 176.88 2jxl s ALA 31 N -2.65 1.96 -0.09 3.60 0.00 -0.12 -5.01 121.76 119.46 2jxl s ALA 31 Ca -0.02 -0.32 0.12 0.00 0.00 0.00 0.00 51.96 51.75 2jxl s ALA 31 Cb 0.09 -3.09 -0.18 0.00 0.00 0.00 0.00 23.12 19.94 2jxl s ALA 31 CO 0.82 -2.03 0.14 -1.91 0.00 0.00 0.00 175.76 172.79 2jxl n GLU 32 N -3.62 1.33 -0.06 0.00 2.13 -1.26 -4.59 120.64 114.56 2jxl n GLU 32 Ca 0.07 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.71 2jxl n GLU 32 Cb 0.57 -1.33 -0.14 0.00 0.27 0.00 0.00 31.44 30.81 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jxl n ASP 33 N -2.29 0.98 0.00 4.31 8.00 -1.26 -5.01 116.55 121.27 2jxl n ASP 33 Ca -0.14 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2jxl n ASP 33 Cb 0.71 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 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 1.80 0.98 3.27 0.44 0.00 -1.26 -5.16 105.19 105.26 2jxl n GLY 34 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 1.38 0.20 0.00 1.01 -0.83 -4.29 121.20 114.95 2jxl s ILE 36 Ca 0.39 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 2jxl s ILE 36 Cb 0.04 -1.58 -0.07 0.00 0.01 0.00 0.00 42.46 40.85 2jxl s ILE 36 CO 0.20 0.04 0.60 -0.55 0.00 0.00 0.00 174.94 175.23 2jxl s SER 37 N 1.49 6.81 0.55 3.58 0.15 -1.26 -2.19 113.70 122.82 2jxl s SER 37 Ca -0.02 1.12 0.31 0.00 0.70 0.00 0.00 55.95 58.06 2jxl s SER 37 Cb -0.17 -2.31 1.48 0.00 -1.71 0.00 0.00 66.02 63.31 2jxl s SER 37 CO -0.07 0.01 1.88 0.00 1.20 0.00 0.00 173.24 176.25 2jxl h THR 38 N 2.49 0.51 -0.21 6.45 1.03 -1.93 0.38 112.91 121.64 2jxl h THR 38 Ca -0.48 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.88 2jxl h THR 38 Cb 1.18 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 2jxl h THR 38 CO 0.66 0.00 -0.04 0.50 -0.01 0.00 0.00 175.52 176.63 2jxl h LYS 39 N 0.00 0.39 0.01 0.00 1.63 -1.92 -2.00 116.57 114.67 2jxl h LYS 39 Ca 0.40 -0.15 -0.20 0.00 -0.85 0.00 0.00 60.65 59.85 2jxl h LYS 39 Cb 1.66 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 33.25 2jxl h LYS 39 CO -0.00 0.64 -0.92 0.93 -3.45 0.00 0.00 179.45 176.64 2jxl h GLU 40 N 0.12 0.03 -0.40 1.90 3.07 -1.27 -3.29 114.58 114.73 2jxl h GLU 40 Ca 0.05 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2jxl h GLU 40 Cb 0.49 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2jxl h GLU 40 CO 0.02 0.93 0.13 1.25 -1.40 0.00 0.00 179.01 179.94 2jxl h LEU 41 N 0.01 0.58 -2.02 1.33 5.85 -0.33 -2.46 115.31 118.28 2jxl h LEU 41 Ca -0.02 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.60 2jxl h LEU 41 Cb 1.62 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2jxl h LEU 41 CO 0.12 0.63 0.39 1.23 -0.34 0.00 0.00 178.44 180.47 2jxl h GLY 42 N 0.50 0.00 0.50 3.75 0.00 -1.43 -1.81 103.07 104.58 2jxl h GLY 42 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 2jxl h GLY 42 CO -0.00 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.94 2jxl h LYS 43 N 0.00 -0.26 -0.63 4.80 1.57 -1.57 -3.08 116.57 117.40 2jxl h LYS 43 Ca 0.16 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.14 2jxl h LYS 43 Cb 0.94 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2jxl h LYS 43 CO -0.00 0.14 0.60 -0.24 -0.57 0.00 0.00 179.45 179.37 2jxl h VAL 44 N -0.77 0.37 -0.61 0.50 3.04 -1.35 0.79 116.25 118.21 2jxl h VAL 44 Ca -0.03 0.00 0.18 0.00 -1.01 0.00 0.00 66.70 65.84 2jxl h VAL 44 Cb 0.51 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2jxl h VAL 44 CO 0.04 0.00 0.62 0.24 -1.01 0.00 0.00 177.57 177.47 2jxl h MET 45 N 0.00 0.00 -0.42 4.17 2.86 -1.43 0.13 114.93 120.24 2jxl h MET 45 Ca 0.30 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 2jxl h MET 45 Cb 1.49 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2jxl h MET 45 CO -0.00 0.00 0.17 0.07 1.06 0.00 0.00 176.91 178.21 2jxl h ARG 46 N 0.00 0.62 0.00 1.72 0.11 -0.91 -2.09 114.38 113.83 2jxl h ARG 46 Ca 0.29 -0.11 -0.01 0.00 0.10 0.00 0.00 59.98 60.26 2jxl h ARG 46 Cb 1.54 -0.10 -0.00 0.00 1.11 0.00 0.00 29.97 32.51 2jxl h ARG 46 CO -0.00 0.57 -0.03 0.00 0.10 0.00 0.00 179.97 180.61 2jxl h MET 47 N 0.53 0.00 0.00 0.08 -0.00 -0.93 -2.42 114.93 112.18 2jxl h MET 47 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.74 2jxl h MET 47 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.76 2jxl h MET 47 CO -0.01 0.03 -0.47 -0.07 -0.00 0.00 0.00 176.91 176.39 2jxl h LEU 48 N 0.00 0.00 0.00 -0.10 4.07 -1.20 -3.47 115.31 114.61 2jxl h LEU 48 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jxl h LEU 48 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2jxl h LEU 48 CO 0.00 0.47 0.00 0.61 -1.08 0.00 0.00 178.44 178.44 2jxl n GLY 49 N 0.93 1.04 3.22 0.83 0.00 -0.91 -5.09 105.19 105.21 2jxl n GLY 49 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.67 1.00 -0.39 1.61 1.11 -0.98 -5.05 119.66 116.28 2jxl s GLN 50 Ca 0.00 -1.45 0.10 0.00 0.01 0.00 0.00 55.36 54.02 2jxl s GLN 50 Cb 0.00 -0.33 0.31 0.00 -1.01 0.00 0.00 33.01 31.98 2jxl s GLN 50 CO 0.00 -0.04 0.71 0.27 0.01 0.00 0.00 175.29 176.24 2jxl n ASN 51 N -0.16 0.09 -2.84 5.90 6.94 -1.26 -3.69 115.26 120.24 2jxl n ASN 51 Ca -0.09 -3.00 -0.10 0.00 -0.02 0.00 0.00 54.58 51.37 2jxl n ASN 51 Cb 0.62 -0.23 0.08 0.00 -2.36 0.00 0.00 39.78 37.89 2jxl n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2jxl n PRO 52 N 0.72 -1.70 -3.00 -0.53 -0.04 -1.26 -5.01 135.00 124.18 2jxl n PRO 52 Ca 0.21 -0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 62.74 2jxl n PRO 52 Cb 0.62 -0.52 -0.06 0.00 -0.04 0.00 0.00 33.50 33.50 2jxl n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jxl s THR 53 N -1.63 4.44 0.25 0.52 -1.32 -1.26 -4.98 115.64 111.66 2jxl s THR 53 Ca 0.23 1.51 0.02 0.00 -1.21 0.00 0.00 61.69 62.24 2jxl s THR 53 Cb -0.02 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 67.00 2jxl s THR 53 CO 0.17 0.28 1.62 1.55 -2.21 0.00 0.00 174.62 176.04 2jxl h PRO 54 N 3.63 0.41 -0.33 7.08 0.13 -1.95 -3.01 132.00 137.96 2jxl h PRO 54 Ca -0.47 -0.21 0.03 0.00 -0.87 0.00 0.00 66.00 64.47 2jxl h PRO 54 Cb 1.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2jxl h PRO 54 CO 0.65 0.77 0.22 0.93 -0.23 0.00 0.00 178.00 180.35 2jxl h GLU 55 N 0.33 0.33 -0.41 0.86 5.08 -1.96 -1.95 114.58 116.86 2jxl h GLU 55 Ca 0.02 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2jxl h GLU 55 Cb 0.91 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2jxl h GLU 55 CO 0.08 0.22 -0.18 1.49 -1.00 0.00 0.00 179.01 179.61 2jxl h GLU 56 N 0.34 0.85 -0.64 2.33 4.57 -1.94 -2.78 114.58 117.31 2jxl h GLU 56 Ca 0.13 -0.36 0.13 0.00 -1.18 0.00 0.00 59.36 58.07 2jxl h GLU 56 Cb 0.11 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.58 2jxl h GLU 56 CO -0.03 1.00 0.14 -0.07 -1.18 0.00 0.00 179.01 178.87 2jxl h LEU 57 N 0.67 -0.01 -0.92 1.64 4.07 -1.40 0.62 115.31 119.99 2jxl h LEU 57 Ca 0.09 0.12 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 2jxl h LEU 57 Cb 0.74 0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 2jxl h LEU 57 CO 0.06 -0.01 -0.22 -0.61 -1.08 0.00 0.00 178.44 176.58 2jxl h GLN 58 N 0.26 0.54 0.31 1.13 5.75 -1.50 -0.44 115.11 121.16 2jxl h GLN 58 Ca 0.34 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2jxl h GLN 58 Cb 0.53 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2jxl h GLN 58 CO -0.44 0.72 -0.15 0.93 -2.65 0.00 0.00 178.83 177.25 2jxl h GLU 59 N 0.48 -0.40 -0.04 1.69 5.08 -0.66 0.20 114.58 120.92 2jxl h GLU 59 Ca 0.07 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2jxl h GLU 59 Cb 0.65 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jxl h GLU 59 CO 0.05 -0.21 -0.42 1.98 -1.00 0.00 0.00 179.01 179.40 2jxl h MET 60 N -0.50 0.10 0.00 2.33 4.05 -1.12 -2.80 114.93 116.99 2jxl h MET 60 Ca -0.04 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.20 2jxl h MET 60 Cb 0.37 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2jxl h MET 60 CO 0.07 0.51 -0.63 0.82 0.23 0.00 0.00 176.91 177.91 2jxl h ILE 61 N 0.08 1.43 -0.33 1.77 2.04 -0.85 -3.11 117.51 118.54 2jxl h ILE 61 Ca 0.01 -2.16 0.05 0.00 1.00 0.00 0.00 64.86 63.75 2jxl h ILE 61 Cb 0.78 2.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2jxl h ILE 61 CO 0.06 0.61 0.06 -0.78 0.00 0.00 0.00 178.15 178.10 2jxl h ASP 62 N 0.00 0.01 1.15 1.72 3.58 -0.33 0.38 116.42 122.93 2jxl h ASP 62 Ca -0.01 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jxl h ASP 62 Cb 1.12 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 2jxl h ASP 62 CO 0.08 0.04 -0.00 -0.08 -2.88 0.00 0.00 179.24 176.40 2jxl h GLU 63 N 0.18 0.00 0.00 0.28 4.22 -1.62 -3.21 114.58 114.43 2jxl h GLU 63 Ca 0.16 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.57 2jxl h GLU 63 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jxl h GLU 63 CO -0.21 0.00 -0.15 0.28 -2.18 0.00 0.00 179.01 176.75 2jxl h VAL 64 N 0.00 1.67 -2.19 0.32 2.07 -1.04 -3.18 116.25 113.90 2jxl h VAL 64 Ca -0.00 -2.31 -0.57 0.00 0.82 0.00 0.00 66.70 64.64 2jxl h VAL 64 Cb 0.57 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 2jxl h VAL 64 CO 0.00 0.56 1.43 -0.62 0.02 0.00 0.00 177.57 178.96 2jxl s ASP 65 N -6.29 5.49 0.35 0.57 -1.08 0.12 -4.84 116.67 110.99 2jxl s ASP 65 Ca -0.20 1.53 0.04 0.00 -0.52 0.00 0.00 52.55 53.40 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 0.67 -1.99 1.94 1.05 0.52 0.00 0.00 175.17 177.35 2jxl h GLU 66 N 14.77 0.63 -0.00 4.34 4.11 -1.85 -1.96 114.58 134.62 2jxl h GLU 66 Ca -0.36 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2jxl h GLU 66 Cb 1.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jxl h GLU 66 CO 1.02 0.53 -0.59 -0.40 0.07 0.00 0.00 179.01 179.64 2jxl n ASP 67 N -4.35 1.02 -3.98 3.06 5.68 -1.26 -4.97 116.55 111.75 2jxl n ASP 67 Ca 0.03 -0.82 -0.32 0.00 -0.50 0.00 0.00 54.79 53.18 2jxl n ASP 67 Cb 0.16 0.48 0.01 0.00 -1.14 0.00 0.00 41.12 40.64 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 1.45 -0.49 0.09 6.12 0.00 -0.74 -4.83 105.19 106.80 2jxl n GLY 68 Ca 0.07 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.80 0.60 0.00 1.61 3.41 -1.26 -4.88 113.62 110.31 2jxl n SER 69 Ca 0.05 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2jxl n SER 69 Cb 0.52 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 0.98 1.13 3.30 5.00 0.00 -1.26 -5.09 105.19 109.25 2jxl n GLY 70 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.07 -0.18 2.61 -4.23 -1.26 -4.44 115.64 106.21 2jxl s THR 71 Ca 0.00 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.86 2jxl s THR 71 Cb 0.00 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 2jxl s THR 71 CO 0.00 -0.32 0.05 -0.69 -0.54 0.00 0.00 174.62 173.12 2jxl s VAL 72 N -3.12 4.72 0.00 2.29 1.01 -0.93 -4.75 120.40 119.62 2jxl s VAL 72 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2jxl s VAL 72 Cb 0.01 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2jxl s VAL 72 CO -0.07 0.47 0.00 -0.67 0.00 0.00 0.00 175.10 174.83 2jxl n ASP 73 N 3.46 0.00 0.10 3.32 2.03 -1.26 -1.97 116.55 122.23 2jxl n ASP 73 Ca -0.17 -0.99 -0.13 0.00 0.52 0.00 0.00 54.79 54.02 2jxl n ASP 73 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.10 -0.18 0.20 -0.67 3.04 -1.98 0.33 116.94 117.58 2jxl h PHE 74 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2jxl h PHE 74 Cb 0.00 0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.57 2jxl h PHE 74 CO 0.00 -0.05 -0.10 -0.44 -2.02 0.00 0.00 178.31 175.70 2jxl h ASP 75 N -0.26 -0.23 -0.67 0.41 5.19 -2.00 -1.36 116.42 117.50 2jxl h ASP 75 Ca -0.02 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2jxl h ASP 75 Cb 0.20 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2jxl h ASP 75 CO 0.03 -0.07 0.44 -0.33 -3.12 0.00 0.00 179.24 176.19 2jxl h GLU 76 N -0.38 0.85 0.00 3.56 5.08 -1.89 -1.25 114.58 120.55 2jxl h GLU 76 Ca -0.03 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2jxl h GLU 76 Cb 0.29 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jxl h GLU 76 CO 0.05 0.56 -0.39 2.35 -1.00 0.00 0.00 179.01 180.57 2jxl h TRP 77 N 0.87 0.00 -0.52 4.33 7.01 -0.08 -2.86 115.95 124.71 2jxl h TRP 77 Ca 0.25 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.18 2jxl h TRP 77 Cb -0.05 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 2jxl h TRP 77 CO -0.00 0.39 0.03 -0.07 -2.79 0.00 0.00 178.44 176.00 2jxl h LEU 78 N 0.00 0.83 -2.03 0.65 3.38 -0.07 -2.40 115.31 115.67 2jxl h LEU 78 Ca -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2jxl h LEU 78 Cb 0.71 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2jxl h LEU 78 CO 0.05 0.88 -0.06 0.58 0.09 0.00 0.00 178.44 179.98 2jxl h VAL 79 N 0.81 0.84 0.82 1.22 2.07 -1.36 -2.20 116.25 118.46 2jxl h VAL 79 Ca 0.16 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 2jxl h VAL 79 Cb 0.45 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2jxl h VAL 79 CO 0.02 0.06 -0.41 -0.03 0.02 0.00 0.00 177.57 177.23 2jxl h MET 80 N 0.00 -1.08 -0.68 1.57 -1.53 -1.48 -2.09 114.93 109.64 2jxl h MET 80 Ca -0.00 0.07 -0.04 0.00 -3.44 0.00 0.00 59.70 56.30 2jxl h MET 80 Cb 0.12 0.25 -0.03 0.00 -0.55 0.00 0.00 31.60 31.39 2jxl h MET 80 CO 0.01 -0.72 0.27 0.00 0.14 0.00 0.00 176.91 176.61 2jxl h MET 81 N -1.12 0.99 -0.85 0.39 -0.00 -1.59 -2.43 114.93 110.33 2jxl h MET 81 Ca -0.11 -0.16 0.12 0.00 -0.00 0.00 0.00 59.70 59.55 2jxl h MET 81 Cb 0.86 -0.17 -0.06 0.00 -0.00 0.00 0.00 31.60 32.23 2jxl h MET 81 CO 0.18 0.81 0.55 0.00 -0.00 0.00 0.00 176.91 178.45 2jxl h ALA 82 N 1.32 1.81 0.00 -3.00 0.00 -1.25 0.16 119.26 118.30 2jxl h ALA 82 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 2jxl h ALA 82 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jxl h ALA 82 CO -0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.99 2jxl h ARG 83 N 0.71 0.00 0.00 0.00 3.08 -0.87 -2.43 114.38 114.87 2jxl h ARG 83 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 2jxl h ARG 83 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2jxl h ARG 83 CO -0.17 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2jxl h MET 85 N 0.00 0.22 0.00 0.00 2.86 -1.41 -2.87 114.93 113.73 2jxl h MET 85 Ca 0.00 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2jxl h MET 85 Cb 0.37 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.07 2jxl h MET 85 CO 0.00 0.86 0.00 1.17 1.06 0.00 0.00 176.91 180.00 2jxl n LYS 86 N -3.77 0.12 -4.10 1.72 3.00 -1.00 -4.87 118.16 109.25 2jxl n LYS 86 Ca -0.03 0.15 -0.33 0.00 -0.00 0.00 0.00 58.31 58.10 2jxl n LYS 86 Cb 0.71 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 34.23 2jxl n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jxl n ASP 87 N -1.41 -3.62 -0.07 3.14 8.00 -1.09 -4.85 116.55 116.66 2jxl n ASP 87 Ca 0.06 -0.93 -0.15 0.00 0.71 0.00 0.00 54.79 54.49 2jxl n ASP 87 Cb 0.18 -3.18 -0.14 0.00 -0.02 0.00 0.00 41.12 37.97 2jxl n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2jxl n ASP 88 N -2.74 1.25 0.00 -2.24 5.75 -1.26 -5.14 116.55 112.17 2jxl n ASP 88 Ca 0.04 0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 2jxl n ASP 88 Cb 0.52 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85