#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 6.28 0.40 7.83 1.01 -1.26 -4.85 116.67 126.08 2jxl s ASP 2 Ca 0.00 -1.07 0.21 0.00 0.71 0.00 0.00 52.55 52.40 2jxl s ASP 2 Cb 0.00 -2.47 0.76 0.00 1.01 0.00 0.00 42.92 42.23 2jxl s ASP 2 CO 0.00 -1.49 1.77 0.44 0.21 0.00 0.00 175.17 176.10 2jxl h ASP 3 N 9.60 0.00 0.02 0.27 3.32 -2.03 -2.22 116.42 125.38 2jxl h ASP 3 Ca -0.16 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 2jxl h ASP 3 Cb 1.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2jxl h ASP 3 CO 1.22 0.31 -0.28 -0.29 -1.72 0.00 0.00 179.24 178.49 2jxl h ILE 4 N 0.00 1.27 0.17 0.35 2.10 -2.00 -1.68 117.51 117.71 2jxl h ILE 4 Ca -0.00 -1.27 -0.31 0.00 1.08 0.00 0.00 64.86 64.35 2jxl h ILE 4 Cb 0.84 1.41 0.01 0.00 -1.09 0.00 0.00 36.82 37.99 2jxl h ILE 4 CO 0.04 0.40 -1.55 1.88 -1.08 0.00 0.00 178.15 177.83 2jxl h TYR 5 N 0.35 0.64 0.00 2.19 0.05 -1.91 -3.32 116.97 114.96 2jxl h TYR 5 Ca 0.05 -0.46 -0.02 0.00 0.05 0.00 0.00 58.73 58.35 2jxl h TYR 5 Cb 0.67 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.38 2jxl h TYR 5 CO 0.02 1.61 -0.07 1.57 -1.05 0.00 0.00 178.16 180.23 2jxl h LYS 6 N -0.06 0.00 -0.06 4.88 5.09 -1.39 -1.32 116.57 123.71 2jxl h LYS 6 Ca -0.31 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.28 2jxl h LYS 6 Cb 1.96 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.28 2jxl h LYS 6 CO 0.14 0.07 -0.61 0.00 -2.09 0.00 0.00 179.45 176.97 2jxl h ALA 7 N 1.93 0.86 0.20 0.07 0.00 -1.40 -2.13 119.26 118.79 2jxl h ALA 7 Ca -0.00 -0.54 -0.34 0.00 0.00 0.00 0.00 54.91 54.03 2jxl h ALA 7 Cb 0.24 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jxl h ALA 7 CO 0.01 0.73 -1.63 0.00 0.00 0.00 0.00 179.25 178.36 2jxl h ALA 8 N 1.21 0.06 -0.15 0.00 0.00 -1.45 -3.27 119.26 115.66 2jxl h ALA 8 Ca -0.01 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 2jxl h ALA 8 Cb 1.11 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2jxl h ALA 8 CO 0.09 0.90 -0.17 -0.24 0.00 0.00 0.00 179.25 179.83 2jxl h VAL 9 N 0.08 1.20 0.00 0.00 3.04 -1.31 -2.19 116.25 117.07 2jxl h VAL 9 Ca -0.31 -0.88 -0.08 0.00 -1.01 0.00 0.00 66.70 64.41 2jxl h VAL 9 Cb 2.09 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 32.63 2jxl h VAL 9 CO 0.20 0.27 -0.38 1.05 -1.01 0.00 0.00 177.57 177.70 2jxl h GLU 10 N 0.23 0.00 -0.01 4.17 4.11 -1.49 -2.42 114.58 119.16 2jxl h GLU 10 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 2jxl h GLU 10 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jxl h GLU 10 CO 0.03 0.38 0.00 1.04 0.07 0.00 0.00 179.01 180.53 2jxl n GLN 11 N -3.66 1.29 -0.96 1.06 1.13 -0.83 -4.89 117.38 110.53 2jxl n GLN 11 Ca -0.01 -0.42 -0.30 0.00 -1.94 0.00 0.00 57.00 54.33 2jxl n GLN 11 Cb 0.48 -1.47 0.26 0.00 0.11 0.00 0.00 30.24 29.61 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jxl s LEU 12 N -1.95 0.27 0.22 1.08 1.43 -0.91 -5.06 118.68 113.75 2jxl s LEU 12 Ca 0.42 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.16 2jxl s LEU 12 Cb 0.21 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2jxl s LEU 12 CO 0.34 -4.48 0.12 0.28 0.23 0.00 0.00 176.35 172.84 2jxl s THR 13 N -2.90 4.20 0.28 5.49 -1.32 -1.26 -5.01 115.64 115.12 2jxl s THR 13 Ca 0.71 -1.39 0.02 0.00 -1.21 0.00 0.00 61.69 59.82 2jxl s THR 13 Cb -0.09 -3.20 0.27 0.00 -1.51 0.00 0.00 72.50 67.97 2jxl s THR 13 CO 0.56 -0.25 1.78 -0.33 -2.21 0.00 0.00 174.62 174.17 2jxl h GLU 14 N 2.01 0.72 -0.14 7.08 5.08 -1.99 0.20 114.58 127.53 2jxl h GLU 14 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.82 2jxl h GLU 14 Cb 1.22 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2jxl h GLU 14 CO 0.61 0.48 -0.00 1.05 -1.00 0.00 0.00 179.01 180.14 2jxl h GLU 15 N 0.74 0.20 0.19 2.33 4.11 -2.00 -2.42 114.58 117.73 2jxl h GLU 15 Ca 0.51 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.90 2jxl h GLU 15 Cb 0.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2jxl h GLU 15 CO -0.35 0.23 -0.09 1.96 0.07 0.00 0.00 179.01 180.82 2jxl h GLN 16 N 0.20 -0.25 -0.36 1.06 7.50 -1.02 -3.08 115.11 119.16 2jxl h GLN 16 Ca 0.05 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.32 2jxl h GLN 16 Cb 0.15 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 2jxl h GLN 16 CO 0.00 0.14 0.31 0.87 -1.50 0.00 0.00 178.83 178.66 2jxl h LYS 17 N -0.74 0.00 -0.30 1.46 6.56 -1.24 0.80 116.57 123.11 2jxl h LYS 17 Ca -0.03 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.48 2jxl h LYS 17 Cb 0.51 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.15 2jxl h LYS 17 CO 0.04 0.00 -0.15 -0.91 -2.06 0.00 0.00 179.45 176.37 2jxl h ASN 18 N 0.00 0.52 -0.09 0.86 2.35 -1.35 -1.16 115.58 116.72 2jxl h ASN 18 Ca 0.17 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 2jxl h ASN 18 Cb 0.80 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2jxl h ASN 18 CO -0.00 0.70 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.90 2jxl h GLU 19 N 0.49 0.31 0.00 0.81 5.08 -0.82 -1.34 114.58 119.11 2jxl h GLU 19 Ca 0.08 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2jxl h GLU 19 Cb 0.55 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2jxl h GLU 19 CO 0.04 0.84 -0.21 0.74 -1.00 0.00 0.00 179.01 179.42 2jxl h PHE 20 N -0.16 0.00 0.08 4.33 0.04 -1.41 0.22 116.94 120.05 2jxl h PHE 20 Ca -0.01 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 2jxl h PHE 20 Cb 0.86 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 2jxl h PHE 20 CO 0.12 0.21 -1.21 -0.22 -0.60 0.00 0.00 178.31 176.61 2jxl h LYS 21 N 0.00 0.18 0.00 1.51 3.64 -1.17 -2.92 116.57 117.81 2jxl h LYS 21 Ca -0.00 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2jxl h LYS 21 Cb 0.42 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jxl h LYS 21 CO 0.03 1.12 -0.00 0.00 -2.27 0.00 0.00 179.45 178.33 2jxl h ALA 22 N 0.72 -0.00 0.00 5.00 0.00 -0.80 -3.23 119.26 120.95 2jxl h ALA 22 Ca -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2jxl h ALA 22 Cb 1.91 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 2jxl h ALA 22 CO 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.38 2jxl h ALA 23 N -0.01 1.44 0.00 0.00 0.00 -0.73 -1.10 119.26 118.85 2jxl h ALA 23 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2jxl h ALA 23 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2jxl h ALA 23 CO 0.00 0.04 -0.62 0.35 0.00 0.00 0.00 179.25 179.02 2jxl h PHE 24 N 0.00 0.00 -0.56 0.00 3.57 -1.59 -3.04 116.94 115.32 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 0.08 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2jxl h PHE 24 CO 0.00 0.62 0.05 0.22 -2.23 0.00 0.00 178.31 176.97 2jxl h ASP 25 N 0.00 0.94 -0.44 0.41 3.58 -1.21 -2.36 116.42 117.34 2jxl h ASP 25 Ca -0.01 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 2jxl h ASP 25 Cb 1.11 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2jxl h ASP 25 CO 0.08 0.99 -0.03 0.40 -2.88 0.00 0.00 179.24 177.80 2jxl h ILE 26 N 0.85 1.25 0.25 2.25 5.03 -1.54 0.26 117.51 125.87 2jxl h ILE 26 Ca 0.17 -1.09 -0.01 0.00 -0.12 0.00 0.00 64.86 63.80 2jxl h ILE 26 Cb 0.48 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 2jxl h ILE 26 CO 0.02 0.38 -0.12 -0.26 -0.68 0.00 0.00 178.15 177.49 2jxl h PHE 27 N 0.80 -0.32 -0.09 1.37 -1.00 -1.40 -2.63 116.94 113.66 2jxl h PHE 27 Ca 0.15 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.92 2jxl h PHE 27 Cb 0.52 0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.18 2jxl h PHE 27 CO 0.03 -0.10 0.00 1.33 -1.61 0.00 0.00 178.31 177.96 2jxl n VAL 28 N -5.18 0.12 0.30 -0.55 0.24 -0.90 -3.81 118.33 108.54 2jxl n VAL 28 Ca -0.10 -0.18 0.18 0.00 -2.04 0.00 0.00 64.34 62.21 2jxl n VAL 28 Cb 0.20 0.05 0.92 0.00 -1.47 0.00 0.00 33.84 33.54 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 1.10 0.00 0.00 1.34 8.10 -0.09 -2.26 115.31 123.50 2jxl h LEU 29 Ca 0.00 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.75 2jxl h LEU 29 Cb 0.24 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 2jxl h LEU 29 CO 0.00 0.03 -1.28 1.23 -4.11 0.00 0.00 178.44 174.31 2jxl h GLY 30 N 0.84 0.00 -0.89 0.17 0.00 -1.73 -3.47 103.07 97.98 2jxl h GLY 30 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 47.33 46.91 2jxl h GLY 30 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 176.54 176.78 2jxl s ALA 31 N -2.68 1.15 -0.17 3.60 0.00 -0.85 -5.03 121.76 117.78 2jxl s ALA 31 Ca -0.01 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 2jxl s ALA 31 Cb 0.09 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 20.30 2jxl s ALA 31 CO 0.82 -3.29 -0.17 -0.85 0.00 0.00 0.00 175.76 172.28 2jxl n GLU 32 N -4.48 0.42 0.06 0.00 0.28 -1.26 -4.63 120.64 111.01 2jxl n GLU 32 Ca 0.15 0.11 -0.12 0.00 -0.16 0.00 0.00 57.16 57.14 2jxl n GLU 32 Cb 0.60 -1.30 -0.13 0.00 1.43 0.00 0.00 31.44 32.03 2jxl n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jxl h ASP 33 N -0.12 0.20 0.00 -1.84 3.32 -1.96 -3.49 116.42 112.54 2jxl h ASP 33 Ca -0.39 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.40 2jxl h ASP 33 Cb 1.55 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2jxl h ASP 33 CO -0.10 1.21 0.00 0.61 -1.72 0.00 0.00 179.24 179.24 2jxl n GLY 34 N 1.51 0.71 3.39 2.75 0.00 -1.26 -5.15 105.19 107.13 2jxl n GLY 34 Ca -0.09 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 0.88 0.24 0.00 1.01 -1.21 -4.64 121.20 113.90 2jxl s ILE 36 Ca 0.34 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 2jxl s ILE 36 Cb 0.02 -0.94 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 2jxl s ILE 36 CO 0.18 0.33 0.61 -0.94 0.00 0.00 0.00 174.94 175.12 2jxl s SER 37 N 1.77 6.72 0.56 3.58 1.04 -1.26 -2.62 113.70 123.48 2jxl s SER 37 Ca 0.05 1.08 0.30 0.00 0.48 0.00 0.00 55.95 57.85 2jxl s SER 37 Cb -0.13 -2.29 1.46 0.00 0.10 0.00 0.00 66.02 65.17 2jxl s SER 37 CO -0.08 -0.08 1.89 0.00 0.98 0.00 0.00 173.24 175.95 2jxl h THR 38 N 2.14 0.48 0.31 2.02 1.03 -1.93 0.41 112.91 117.37 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 1.18 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 2jxl h THR 38 CO 0.67 0.00 -0.15 0.11 -0.01 0.00 0.00 175.52 176.14 2jxl h LYS 39 N 0.00 -0.40 0.00 0.00 1.79 -1.92 -2.99 116.57 113.05 2jxl h LYS 39 Ca 0.33 0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.73 2jxl h LYS 39 Cb 1.46 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 2jxl h LYS 39 CO -0.00 -0.08 -0.45 0.93 -1.08 0.00 0.00 179.45 178.77 2jxl h GLU 40 N -0.78 0.00 0.00 3.15 4.39 -1.63 -2.93 114.58 116.77 2jxl h GLU 40 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 40 Cb 0.51 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jxl h GLU 40 CO 0.07 0.45 -0.06 1.25 -1.16 0.00 0.00 179.01 179.56 2jxl h LEU 41 N 0.00 0.00 -0.99 1.33 5.85 -0.23 -1.41 115.31 119.87 2jxl h LEU 41 Ca -0.00 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2jxl h LEU 41 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2jxl h LEU 41 CO 0.06 0.06 -0.30 1.23 -0.34 0.00 0.00 178.44 179.14 2jxl h GLY 42 N 0.34 0.00 1.43 3.75 0.00 -1.36 -3.06 103.07 104.16 2jxl h GLY 42 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2jxl h GLY 42 CO 0.01 0.00 -0.37 0.07 0.00 0.00 0.00 176.54 176.25 2jxl h LYS 43 N 0.00 0.63 0.00 4.80 2.10 -1.40 -2.82 116.57 119.88 2jxl h LYS 43 Ca -0.00 -0.31 -0.04 0.00 -2.00 0.00 0.00 60.65 58.29 2jxl h LYS 43 Cb 0.84 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.16 2jxl h LYS 43 CO 0.04 0.90 -0.21 -0.24 -2.00 0.00 0.00 179.45 177.94 2jxl h VAL 44 N 0.53 0.81 -0.97 0.07 3.04 -1.59 -2.78 116.25 115.36 2jxl h VAL 44 Ca 0.05 -0.83 0.04 0.00 -1.01 0.00 0.00 66.70 64.95 2jxl h VAL 44 Cb 0.88 1.50 -0.06 0.00 -2.01 0.00 0.00 31.29 31.60 2jxl h VAL 44 CO 0.08 0.21 0.63 0.24 -1.01 0.00 0.00 177.57 177.72 2jxl h MET 45 N 0.00 1.18 -0.77 4.17 2.86 -1.53 -1.98 114.93 118.85 2jxl h MET 45 Ca -0.00 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2jxl h MET 45 Cb 0.48 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2jxl h MET 45 CO 0.03 0.78 0.50 0.00 1.06 0.00 0.00 176.91 179.28 2jxl h ARG 46 N 1.21 0.97 0.00 1.72 3.08 -1.07 -1.27 114.38 119.02 2jxl h ARG 46 Ca 0.39 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.32 2jxl h ARG 46 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2jxl h ARG 46 CO -0.13 0.64 -0.30 0.52 -1.07 0.00 0.00 179.97 179.63 2jxl h MET 47 N 1.00 0.00 0.00 0.04 2.86 -1.48 -2.24 114.93 115.11 2jxl h MET 47 Ca 0.30 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.87 2jxl h MET 47 Cb -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2jxl h MET 47 CO -0.09 0.30 -0.31 -0.07 1.06 0.00 0.00 176.91 177.80 2jxl h LEU 48 N 0.00 0.00 0.00 1.22 4.07 -0.68 -3.46 115.31 116.45 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 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2jxl h LEU 48 CO 0.04 0.31 0.00 0.61 -1.08 0.00 0.00 178.44 178.32 2jxl n GLY 49 N 0.38 1.37 3.17 0.83 0.00 -0.84 -5.11 105.19 104.99 2jxl n GLY 49 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.28 0.83 -0.40 1.61 -0.21 -0.58 -5.01 119.66 115.63 2jxl s GLN 50 Ca 0.00 -1.13 0.09 0.00 0.02 0.00 0.00 55.36 54.35 2jxl s GLN 50 Cb 0.00 -0.54 0.28 0.00 1.00 0.00 0.00 33.01 33.75 2jxl s GLN 50 CO 0.00 0.09 0.60 0.27 -2.12 0.00 0.00 175.29 174.13 2jxl n ASN 51 N 0.65 0.58 -4.69 5.90 0.23 -1.26 -1.87 115.26 114.80 2jxl n ASN 51 Ca -0.17 -2.83 -0.29 0.00 -0.53 0.00 0.00 54.58 50.76 2jxl n ASN 51 Cb 0.57 -0.63 0.17 0.00 -2.08 0.00 0.00 39.78 37.81 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 -1.66 0.65 0.95 -0.53 0.04 -1.26 -5.00 135.00 128.20 2jxl s PRO 52 Ca 0.37 0.61 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 2jxl s PRO 52 Cb 0.23 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 33.11 2jxl s PRO 52 CO -0.10 -2.60 0.73 0.25 0.04 0.00 0.00 177.00 175.32 2jxl n THR 53 N -4.10 0.00 -0.04 1.26 -2.24 -1.26 -4.95 114.28 102.95 2jxl n THR 53 Ca 0.06 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 2jxl n THR 53 Cb 0.57 -0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.77 0.23 0.00 -0.78 0.13 -1.98 -3.14 132.00 124.69 2jxl h PRO 54 Ca -0.44 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jxl h PRO 54 CO 0.38 0.65 -0.20 0.93 -0.23 0.00 0.00 178.00 179.52 2jxl h GLU 55 N -0.19 0.00 -0.63 0.86 4.39 -1.96 -2.48 114.58 114.58 2jxl h GLU 55 Ca 0.02 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2jxl h GLU 55 Cb 0.60 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 2jxl h GLU 55 CO 0.02 0.20 0.41 1.49 -1.16 0.00 0.00 179.01 179.98 2jxl h GLU 56 N 0.00 0.68 -0.14 2.33 4.81 -1.91 -2.63 114.58 117.72 2jxl h GLU 56 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2jxl h GLU 56 Cb 0.39 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2jxl h GLU 56 CO 0.03 0.45 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.35 2jxl h LEU 57 N 0.70 -1.04 -1.96 1.64 -0.00 -1.50 0.64 115.31 113.79 2jxl h LEU 57 Ca 0.26 0.15 -0.02 0.00 -0.00 0.00 0.00 57.88 58.27 2jxl h LEU 57 Cb 0.15 0.44 -0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2jxl h LEU 57 CO -0.07 -0.37 -0.11 -0.61 -0.00 0.00 0.00 178.44 177.28 2jxl h GLN 58 N -0.41 0.00 0.27 1.13 5.75 -1.64 -2.69 115.11 117.52 2jxl h GLN 58 Ca 0.10 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 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 -0.37 0.11 -0.14 1.49 -2.65 0.00 0.00 178.83 177.27 2jxl h GLU 59 N 0.00 -0.36 -0.01 1.69 4.57 -0.56 -0.23 114.58 119.68 2jxl h GLU 59 Ca -0.00 0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 2jxl h GLU 59 Cb 0.30 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 2jxl h GLU 59 CO 0.01 -0.24 -0.43 0.52 -1.18 0.00 0.00 179.01 177.69 2jxl h MET 60 N -0.37 0.03 0.00 1.92 2.86 -1.26 -2.57 114.93 115.53 2jxl h MET 60 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2jxl h MET 60 Cb 0.30 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 2jxl h MET 60 CO 0.05 0.46 -0.16 0.82 1.06 0.00 0.00 176.91 179.13 2jxl h ILE 61 N 0.02 0.40 0.00 -1.22 2.04 -1.15 -2.80 117.51 114.81 2jxl h ILE 61 Ca -0.00 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.88 2jxl h ILE 61 Cb 0.78 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2jxl h ILE 61 CO 0.06 0.16 -0.00 -0.78 0.00 0.00 0.00 178.15 177.59 2jxl h ASP 62 N 0.00 -0.00 0.98 1.72 3.58 -0.61 0.29 116.42 122.38 2jxl h ASP 62 Ca -0.00 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2jxl h ASP 62 Cb 0.70 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2jxl h ASP 62 CO 0.02 0.29 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.19 2jxl h GLU 63 N -0.29 0.00 0.00 0.28 5.08 -1.61 -3.24 114.58 114.79 2jxl h GLU 63 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jxl h GLU 63 Cb 0.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2jxl h GLU 63 CO 0.00 0.15 -0.14 0.28 -1.00 0.00 0.00 179.01 178.30 2jxl h VAL 64 N 0.00 1.30 -2.10 3.13 2.07 -1.30 -3.44 116.25 115.91 2jxl h VAL 64 Ca -0.00 -2.02 -0.55 0.00 0.82 0.00 0.00 66.70 64.95 2jxl h VAL 64 Cb 0.68 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 2jxl h VAL 64 CO 0.02 0.44 1.45 -0.62 0.02 0.00 0.00 177.57 178.88 2jxl s ASP 65 N -6.13 5.33 0.36 0.57 -1.08 0.10 -4.83 116.67 110.99 2jxl s ASP 65 Ca -0.16 1.37 0.13 0.00 -0.52 0.00 0.00 52.55 53.37 2jxl s ASP 65 Cb -0.01 -2.51 0.66 0.00 -1.46 0.00 0.00 42.92 39.59 2jxl s ASP 65 CO 0.53 -2.14 1.79 1.05 0.52 0.00 0.00 175.17 176.91 2jxl h GLU 66 N 15.44 0.00 -0.00 4.34 4.11 -1.85 -2.68 114.58 133.94 2jxl h GLU 66 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2jxl h GLU 66 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jxl h GLU 66 CO 1.05 0.42 -0.70 -0.40 0.07 0.00 0.00 179.01 179.45 2jxl n ASP 67 N -4.01 1.16 -3.69 3.06 5.68 -1.26 -4.81 116.55 112.68 2jxl n ASP 67 Ca -0.02 -0.98 -0.25 0.00 -0.50 0.00 0.00 54.79 53.05 2jxl n ASP 67 Cb 0.45 0.64 0.06 0.00 -1.14 0.00 0.00 41.12 41.13 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 1.46 -0.49 0.15 6.12 0.00 -1.01 -4.88 105.19 106.54 2jxl n GLY 68 Ca 0.06 0.21 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.36 0.00 0.00 1.61 4.64 -1.94 -3.47 113.55 112.03 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 0.59 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.66 2jxl n GLY 70 N 0.72 1.11 3.32 -0.77 0.00 -1.26 -5.09 105.19 103.21 2jxl n GLY 70 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.04 -0.23 2.61 -4.23 -1.26 -4.37 115.64 106.21 2jxl s THR 71 Ca 0.00 -0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.05 2jxl s THR 71 Cb 0.00 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 73.02 2jxl s THR 71 CO 0.00 -0.20 0.15 -0.69 -0.54 0.00 0.00 174.62 173.34 2jxl s VAL 72 N -1.52 5.35 0.00 2.29 1.01 -1.08 -4.87 120.40 121.59 2jxl s VAL 72 Ca -0.11 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2jxl s VAL 72 Cb -0.03 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2jxl s VAL 72 CO 0.04 0.38 0.00 0.47 0.00 0.00 0.00 175.10 175.99 2jxl n ASP 73 N 4.02 0.00 -0.32 3.32 8.00 -1.26 -3.35 116.55 126.96 2jxl n ASP 73 Ca -0.15 -0.98 -0.04 0.00 0.71 0.00 0.00 54.79 54.32 2jxl n ASP 73 Cb 0.52 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.09 1.19 0.22 1.24 3.57 -1.98 0.31 116.94 121.40 2jxl h PHE 74 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2jxl h PHE 74 Cb 0.00 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.36 2jxl h PHE 74 CO 0.00 0.82 -0.11 0.38 -2.23 0.00 0.00 178.31 177.18 2jxl h ASP 75 N 1.20 -0.25 -0.56 0.41 2.03 -1.99 -1.77 116.42 115.49 2jxl h ASP 75 Ca 0.30 -0.26 -0.01 0.00 -0.73 0.00 0.00 57.03 56.33 2jxl h ASP 75 Cb 0.04 0.07 -0.03 0.00 -0.83 0.00 0.00 39.33 38.57 2jxl h ASP 75 CO -0.05 0.17 0.33 -0.33 -1.03 0.00 0.00 179.24 178.33 2jxl h GLU 76 N -0.74 0.79 0.00 4.15 5.08 -1.91 -1.44 114.58 120.50 2jxl h GLU 76 Ca -0.03 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 2jxl h GLU 76 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jxl h GLU 76 CO 0.05 0.57 -0.45 2.35 -1.00 0.00 0.00 179.01 180.53 2jxl h TRP 77 N 0.80 0.00 -0.01 4.33 7.01 -0.38 -2.40 115.95 125.30 2jxl h TRP 77 Ca 0.21 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.18 2jxl h TRP 77 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.07 2jxl h TRP 77 CO 0.00 0.45 -0.09 1.25 -2.79 0.00 0.00 178.44 177.26 2jxl h LEU 78 N 0.00 0.10 -2.10 0.65 6.46 -0.37 -3.21 115.31 116.84 2jxl h LEU 78 Ca -0.00 -0.70 -0.01 0.00 -0.12 0.00 0.00 57.88 57.04 2jxl h LEU 78 Cb 0.80 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2jxl h LEU 78 CO 0.06 0.79 -0.05 1.62 -0.62 0.00 0.00 178.44 180.24 2jxl h VAL 79 N -0.58 0.79 0.64 1.05 3.04 -1.30 -2.80 116.25 117.09 2jxl h VAL 79 Ca -0.01 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.48 2jxl h VAL 79 Cb 0.79 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2jxl h VAL 79 CO 0.02 0.05 -0.40 0.24 -1.01 0.00 0.00 177.57 176.47 2jxl h MET 80 N 0.00 -0.94 -0.42 4.17 2.86 -1.43 -2.57 114.93 116.59 2jxl h MET 80 Ca -0.00 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2jxl h MET 80 Cb 0.10 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2jxl h MET 80 CO 0.01 -0.63 0.28 1.98 1.06 0.00 0.00 176.91 179.61 2jxl h MET 81 N -0.98 0.52 -0.09 1.72 -1.53 -1.57 -0.90 114.93 112.11 2jxl h MET 81 Ca -0.08 -0.03 0.03 0.00 -3.44 0.00 0.00 59.70 56.18 2jxl h MET 81 Cb 0.79 -0.12 -0.00 0.00 -0.55 0.00 0.00 31.60 31.72 2jxl h MET 81 CO 0.08 0.35 0.15 0.00 0.14 0.00 0.00 176.91 177.63 2jxl h ALA 82 N 1.74 1.52 0.00 0.39 0.00 -1.21 0.30 119.26 122.00 2jxl h ALA 82 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2jxl h ALA 82 Cb -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jxl h ALA 82 CO -0.04 -0.20 -0.12 0.07 0.00 0.00 0.00 179.25 178.96 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 0.11 -0.96 -1.22 114.38 112.31 2jxl h ARG 83 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2jxl h ARG 83 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2jxl h ARG 83 CO -0.00 0.12 0.00 0.00 0.10 0.00 0.00 179.97 180.19 2jxl h MET 85 N 0.00 0.58 0.00 0.00 2.86 -1.36 -3.06 114.93 113.95 2jxl h MET 85 Ca 0.00 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2jxl h MET 85 Cb 0.42 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2jxl h MET 85 CO 0.00 1.14 0.00 1.63 1.06 0.00 0.00 176.91 180.74 2jxl n LYS 86 N -4.12 0.13 -1.28 1.72 4.76 -1.12 -2.26 118.16 115.98 2jxl n LYS 86 Ca -0.09 0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 55.13 2jxl n LYS 86 Cb 0.69 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.35 2jxl n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jxl n ASP 87 N -1.40 5.70 -3.48 4.39 -0.08 -1.16 -4.34 116.55 116.19 2jxl n ASP 87 Ca 0.07 -2.61 -0.22 0.00 -1.51 0.00 0.00 54.79 50.52 2jxl n ASP 87 Cb 0.19 -1.42 0.08 0.00 2.34 0.00 0.00 41.12 42.30 2jxl n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jxl n ASP 88 N 4.98 -5.31 0.00 1.67 8.00 -1.26 -5.06 116.55 119.56 2jxl n ASP 88 Ca 0.60 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 55.56 2jxl n ASP 88 Cb 0.28 -4.93 0.00 0.00 -0.02 0.00 0.00 41.12 36.45 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61