#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 6.19 0.55 6.12 1.01 -1.26 -4.88 116.67 124.41 2jxl s ASP 2 Ca 0.00 -1.02 0.29 0.00 0.71 0.00 0.00 52.55 52.53 2jxl s ASP 2 Cb 0.00 -2.39 1.62 0.00 1.01 0.00 0.00 42.92 43.16 2jxl s ASP 2 CO 0.00 -1.31 2.15 -0.78 0.21 0.00 0.00 175.17 175.44 2jxl h ASP 3 N 9.42 0.00 -0.13 0.27 3.58 -2.06 -2.02 116.42 125.48 2jxl h ASP 3 Ca -0.29 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.16 2jxl h ASP 3 Cb 1.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 2jxl h ASP 3 CO 1.14 0.07 0.08 -0.29 -2.88 0.00 0.00 179.24 177.36 2jxl h ILE 4 N 0.00 1.04 0.06 2.25 2.10 -2.01 -1.47 117.51 119.48 2jxl h ILE 4 Ca -0.00 -0.09 -0.28 0.00 1.08 0.00 0.00 64.86 65.57 2jxl h ILE 4 Cb 0.21 0.85 -0.02 0.00 -1.09 0.00 0.00 36.82 36.77 2jxl h ILE 4 CO 0.01 0.04 -1.44 1.88 -1.08 0.00 0.00 178.15 177.56 2jxl h TYR 5 N 0.19 0.25 0.00 2.19 0.05 -1.74 -3.30 116.97 114.60 2jxl h TYR 5 Ca 0.05 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.58 2jxl h TYR 5 Cb -0.01 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2jxl h TYR 5 CO 0.00 1.21 -0.30 0.87 -1.05 0.00 0.00 178.16 178.89 2jxl h LYS 6 N 0.04 0.00 0.45 4.88 1.79 -1.29 -2.70 116.57 119.73 2jxl h LYS 6 Ca -0.20 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2jxl h LYS 6 Cb 1.95 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.61 2jxl h LYS 6 CO 0.14 0.30 -0.22 0.00 -1.08 0.00 0.00 179.45 178.60 2jxl h ALA 7 N 1.70 -0.60 -0.38 3.86 0.00 -1.38 -0.33 119.26 122.12 2jxl h ALA 7 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2jxl h ALA 7 Cb 0.57 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2jxl h ALA 7 CO 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 179.25 178.57 2jxl h ALA 8 N -0.71 0.28 -0.49 0.00 0.00 -1.63 -0.79 119.26 115.92 2jxl h ALA 8 Ca -0.06 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jxl h ALA 8 Cb 0.57 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2jxl h ALA 8 CO 0.10 -0.44 0.12 -0.24 0.00 0.00 0.00 179.25 178.79 2jxl h VAL 9 N 0.02 1.21 0.00 0.00 3.04 -1.54 -1.78 116.25 117.20 2jxl h VAL 9 Ca 0.19 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 65.10 2jxl h VAL 9 Cb 0.28 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.27 2jxl h VAL 9 CO -0.38 0.28 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.04 2jxl h GLU 10 N 0.72 0.00 -0.01 4.17 4.39 0.30 -1.35 114.58 122.80 2jxl h GLU 10 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2jxl h GLU 10 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2jxl h GLU 10 CO -0.00 0.09 -0.07 1.04 -1.16 0.00 0.00 179.01 178.91 2jxl n GLN 11 N -3.38 1.17 -0.96 2.33 6.02 -0.48 -4.90 117.38 117.18 2jxl n GLN 11 Ca -0.01 -0.54 -0.30 0.00 -0.01 0.00 0.00 57.00 56.14 2jxl n GLN 11 Cb 0.26 -1.49 0.26 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.20 0.26 0.23 1.08 1.43 -0.51 -5.06 118.68 113.90 2jxl s LEU 12 Ca 0.35 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 2jxl s LEU 12 Cb 0.21 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2jxl s LEU 12 CO 0.41 -4.49 0.01 0.28 0.23 0.00 0.00 176.35 172.78 2jxl s THR 13 N -2.90 3.62 0.30 5.49 -1.32 -1.26 -5.02 115.64 114.54 2jxl s THR 13 Ca 0.71 -1.67 -0.01 0.00 -1.21 0.00 0.00 61.69 59.51 2jxl s THR 13 Cb -0.09 -2.89 0.27 0.00 -1.51 0.00 0.00 72.50 68.29 2jxl s THR 13 CO 0.56 -0.26 1.93 -0.33 -2.21 0.00 0.00 174.62 174.31 2jxl h GLU 14 N 2.21 1.05 0.00 7.08 4.39 -1.99 -0.84 114.58 126.48 2jxl h GLU 14 Ca -0.46 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.13 2jxl h GLU 14 Cb 1.23 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2jxl h GLU 14 CO 0.59 0.69 -0.25 1.05 -1.16 0.00 0.00 179.01 179.93 2jxl h GLU 15 N 1.08 0.00 0.14 2.33 -0.00 -2.00 -2.47 114.58 113.66 2jxl h GLU 15 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.71 2jxl h GLU 15 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 2jxl h GLU 15 CO -0.12 0.25 -0.07 1.96 -0.00 0.00 0.00 179.01 181.04 2jxl h GLN 16 N 0.00 -0.18 -0.02 1.06 1.08 -1.57 -3.06 115.11 112.42 2jxl h GLN 16 Ca -0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2jxl h GLN 16 Cb 0.45 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.92 2jxl h GLN 16 CO 0.03 0.24 0.02 0.87 -0.95 0.00 0.00 178.83 179.05 2jxl h LYS 17 N -0.68 0.00 -0.54 1.46 6.56 -1.35 -1.76 116.57 120.26 2jxl h LYS 17 Ca -0.02 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 2jxl h LYS 17 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2jxl h LYS 17 CO 0.03 0.00 0.16 -0.91 -2.06 0.00 0.00 179.45 176.67 2jxl h ASN 18 N 0.00 0.80 -0.28 0.86 4.21 -1.34 -0.94 115.58 118.89 2jxl h ASN 18 Ca 0.01 -0.21 -0.12 0.00 1.21 0.00 0.00 56.30 57.18 2jxl h ASN 18 Cb 0.06 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2jxl h ASN 18 CO -0.00 0.80 -0.26 -0.33 -1.29 0.00 0.00 177.43 176.34 2jxl h GLU 19 N 0.75 0.78 -0.15 0.81 4.39 -1.32 -1.93 114.58 117.91 2jxl h GLU 19 Ca 0.17 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2jxl h GLU 19 Cb 0.29 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2jxl h GLU 19 CO -0.00 0.95 0.01 0.74 -1.16 0.00 0.00 179.01 179.55 2jxl h PHE 20 N 0.67 0.29 0.00 4.33 0.04 -1.35 0.21 116.94 121.12 2jxl h PHE 20 Ca 0.08 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2jxl h PHE 20 Cb 0.79 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 2jxl h PHE 20 CO 0.04 0.47 -0.18 -0.22 -0.60 0.00 0.00 178.31 177.82 2jxl h LYS 21 N 0.02 0.00 0.00 1.51 3.64 -1.14 -0.61 116.57 119.99 2jxl h LYS 21 Ca 0.05 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2jxl h LYS 21 Cb 0.34 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jxl h LYS 21 CO 0.01 0.18 -0.07 0.00 -2.27 0.00 0.00 179.45 177.30 2jxl h ALA 22 N 1.82 0.01 0.00 5.00 0.00 -1.07 -3.27 119.26 121.74 2jxl h ALA 22 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jxl h ALA 22 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2jxl h ALA 22 CO 0.02 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2jxl h ALA 23 N -0.81 1.00 -0.05 0.00 0.00 -0.59 -0.96 119.26 117.84 2jxl h ALA 23 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2jxl h ALA 23 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jxl h ALA 23 CO -0.00 0.00 -0.68 0.35 0.00 0.00 0.00 179.25 178.91 2jxl h PHE 24 N 0.00 0.33 -0.43 0.00 3.57 -1.21 -2.96 116.94 116.24 2jxl h PHE 24 Ca 0.00 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.27 2jxl h PHE 24 Cb 0.02 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2jxl h PHE 24 CO 0.00 0.85 -0.11 0.22 -2.23 0.00 0.00 178.31 177.04 2jxl h ASP 25 N 0.17 0.76 0.70 0.41 1.82 -1.21 -2.00 116.42 117.07 2jxl h ASP 25 Ca -0.02 -0.22 -0.09 0.00 -0.39 0.00 0.00 57.03 56.31 2jxl h ASP 25 Cb 1.22 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 2jxl h ASP 25 CO 0.11 0.89 -0.43 0.40 -1.61 0.00 0.00 179.24 178.60 2jxl h ILE 26 N 0.70 1.06 0.03 2.25 5.03 -1.56 -2.78 117.51 122.24 2jxl h ILE 26 Ca 0.12 -1.60 -0.23 0.00 -0.12 0.00 0.00 64.86 63.03 2jxl h ILE 26 Cb 0.58 1.93 0.00 0.00 -3.03 0.00 0.00 36.82 36.30 2jxl h ILE 26 CO 0.04 0.42 -0.99 -0.26 -0.68 0.00 0.00 178.15 176.67 2jxl h PHE 27 N 0.00 0.52 -0.08 1.37 -1.00 -1.30 -3.10 116.94 113.35 2jxl h PHE 27 Ca -0.00 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.47 2jxl h PHE 27 Cb 0.89 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.40 2jxl h PHE 27 CO 0.00 1.14 0.00 1.33 -1.61 0.00 0.00 178.31 179.17 2jxl n VAL 28 N -3.68 0.10 0.29 -0.55 0.24 -0.78 -3.84 118.33 110.10 2jxl n VAL 28 Ca -0.06 -0.17 0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2jxl n VAL 28 Cb 0.87 0.03 0.90 0.00 -1.47 0.00 0.00 33.84 34.17 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 1.04 0.00 0.09 1.34 3.38 -1.41 -2.08 115.31 117.68 2jxl h LEU 29 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2jxl h LEU 29 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2jxl h LEU 29 CO 0.00 0.04 -1.20 1.23 0.09 0.00 0.00 178.44 178.60 2jxl h GLY 30 N 0.35 0.22 -0.79 0.83 0.00 -1.81 -3.46 103.07 98.40 2jxl h GLY 30 Ca -0.00 -0.56 -0.45 0.00 0.00 0.00 0.00 47.33 46.32 2jxl h GLY 30 CO 0.01 0.49 0.28 0.00 0.00 0.00 0.00 176.54 177.32 2jxl s ALA 31 N -2.67 1.59 -0.07 3.60 0.00 -0.78 -5.01 121.76 118.42 2jxl s ALA 31 Ca -0.03 -0.70 0.13 0.00 0.00 0.00 0.00 51.96 51.36 2jxl s ALA 31 Cb 0.08 -2.97 -0.19 0.00 0.00 0.00 0.00 23.12 20.04 2jxl s ALA 31 CO 0.86 -2.57 0.19 -1.91 0.00 0.00 0.00 175.76 172.33 2jxl n GLU 32 N -3.97 1.08 -0.09 0.00 2.13 -1.26 -4.60 120.64 113.93 2jxl n GLU 32 Ca 0.09 -0.07 -0.12 0.00 0.66 0.00 0.00 57.16 57.71 2jxl n GLU 32 Cb 0.59 -1.33 -0.15 0.00 0.27 0.00 0.00 31.44 30.82 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2jxl n ASP 33 N -2.21 0.73 0.00 4.31 2.03 -1.26 -5.02 116.55 115.13 2jxl n ASP 33 Ca -0.11 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2jxl n ASP 33 Cb 0.62 0.41 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 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 1.87 0.69 3.38 0.27 0.00 -1.26 -5.17 105.19 104.98 2jxl n GLY 34 Ca -0.34 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.61 1.25 0.39 0.00 1.01 -0.96 -4.24 121.20 115.05 2jxl s ILE 36 Ca 0.34 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2jxl s ILE 36 Cb 0.02 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2jxl s ILE 36 CO 0.18 -0.07 0.70 -0.94 0.00 0.00 0.00 174.94 174.80 2jxl s SER 37 N 1.53 6.40 0.64 3.58 1.04 -1.26 -1.26 113.70 124.37 2jxl s SER 37 Ca -0.04 0.90 0.35 0.00 0.48 0.00 0.00 55.95 57.65 2jxl s SER 37 Cb -0.18 -2.23 1.96 0.00 0.10 0.00 0.00 66.02 65.67 2jxl s SER 37 CO -0.07 -0.39 2.17 0.00 0.98 0.00 0.00 173.24 175.93 2jxl h THR 38 N 0.86 0.19 0.30 2.02 1.03 -1.92 0.32 112.91 115.71 2jxl h THR 38 Ca -0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 65.91 2jxl h THR 38 Cb 1.20 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2jxl h THR 38 CO 0.63 0.00 -0.14 0.11 -0.01 0.00 0.00 175.52 176.11 2jxl h LYS 39 N 0.00 -0.38 0.00 0.00 1.57 -1.96 -2.79 116.57 113.01 2jxl h LYS 39 Ca 0.03 0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.65 2jxl h LYS 39 Cb 0.31 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 2jxl h LYS 39 CO -0.00 -0.04 -0.84 0.93 -0.57 0.00 0.00 179.45 178.93 2jxl h GLU 40 N -0.86 0.05 -0.69 3.15 4.39 -1.81 -3.25 114.58 115.56 2jxl h GLU 40 Ca -0.04 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 40 Cb 0.52 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 2jxl h GLU 40 CO 0.07 0.86 0.41 1.25 -1.16 0.00 0.00 179.01 180.43 2jxl h LEU 41 N 0.03 0.64 -1.70 1.33 5.85 -0.45 -1.60 115.31 119.40 2jxl h LEU 41 Ca -0.02 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2jxl h LEU 41 Cb 1.47 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 2jxl h LEU 41 CO 0.11 0.42 0.35 1.23 -0.34 0.00 0.00 178.44 180.22 2jxl h GLY 42 N 0.77 0.47 0.88 3.75 0.00 -1.53 -2.24 103.07 105.17 2jxl h GLY 42 Ca 0.29 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2jxl h GLY 42 CO -0.15 0.10 0.03 0.50 0.00 0.00 0.00 176.54 177.02 2jxl h LYS 43 N 0.35 0.10 -0.39 4.80 1.57 -1.42 -2.32 116.57 119.27 2jxl h LYS 43 Ca 0.24 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 2jxl h LYS 43 Cb 0.47 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jxl h LYS 43 CO -0.06 0.20 0.38 0.28 -0.57 0.00 0.00 179.45 179.69 2jxl h VAL 44 N -0.02 0.46 -0.05 0.50 2.07 -1.33 0.24 116.25 118.12 2jxl h VAL 44 Ca 0.02 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 2jxl h VAL 44 Cb 0.13 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2jxl h VAL 44 CO -0.00 0.00 -0.46 0.24 0.02 0.00 0.00 177.57 177.37 2jxl h MET 45 N 0.00 0.13 -0.37 1.57 2.86 -1.33 -2.26 114.93 115.53 2jxl h MET 45 Ca 0.18 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2jxl h MET 45 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 2jxl h MET 45 CO -0.00 0.57 -0.20 0.07 1.06 0.00 0.00 176.91 178.40 2jxl h ARG 46 N 0.11 0.79 0.00 1.72 0.11 -0.32 0.27 114.38 117.06 2jxl h ARG 46 Ca 0.01 -0.36 -0.08 0.00 0.10 0.00 0.00 59.98 59.65 2jxl h ARG 46 Cb 0.86 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 2jxl h ARG 46 CO 0.07 0.98 -0.37 0.00 0.10 0.00 0.00 179.97 180.75 2jxl h MET 47 N 0.59 0.00 0.00 0.08 -0.00 -1.45 -2.83 114.93 111.32 2jxl h MET 47 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.70 2jxl h MET 47 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.34 2jxl h MET 47 CO 0.06 0.37 -0.40 -0.07 -0.00 0.00 0.00 176.91 176.87 2jxl h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.23 -3.47 115.31 113.90 2jxl h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jxl h LEU 48 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2jxl h LEU 48 CO 0.05 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2jxl n GLY 49 N 0.67 1.55 3.35 0.83 0.00 -0.94 -5.10 105.19 105.55 2jxl n GLY 49 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.11 1.36 -0.40 1.61 1.11 0.90 -5.02 119.66 119.11 2jxl s GLN 50 Ca 0.00 -1.62 0.09 0.00 0.01 0.00 0.00 55.36 53.84 2jxl s GLN 50 Cb 0.00 -1.08 0.28 0.00 -1.01 0.00 0.00 33.01 31.20 2jxl s GLN 50 CO 0.00 0.14 0.59 -1.71 0.01 0.00 0.00 175.29 174.33 2jxl n ASN 51 N -0.41 0.57 -4.77 5.90 5.15 -1.26 -2.76 115.26 117.69 2jxl n ASN 51 Ca -0.07 -2.83 -0.39 0.00 -0.60 0.00 0.00 54.58 50.69 2jxl n ASN 51 Cb 0.61 -0.63 -0.02 0.00 -0.53 0.00 0.00 39.78 39.21 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2jxl s PRO 52 N -1.61 4.12 0.94 1.20 0.04 -1.26 -5.00 135.00 133.42 2jxl s PRO 52 Ca 0.37 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.21 2jxl s PRO 52 Cb 0.22 -2.77 0.09 0.00 0.04 0.00 0.00 34.50 32.08 2jxl s PRO 52 CO -0.10 -0.29 0.76 0.25 0.04 0.00 0.00 177.00 177.66 2jxl n THR 53 N 0.24 0.00 -0.03 1.26 -2.24 -1.26 -4.87 114.28 107.38 2jxl n THR 53 Ca 0.03 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.58 2jxl n THR 53 Cb 0.45 -0.80 -0.09 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.73 0.11 0.00 -0.78 0.13 -1.98 -2.89 132.00 124.87 2jxl h PRO 54 Ca -0.43 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 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 0.37 0.57 -0.22 0.93 -0.23 0.00 0.00 178.00 179.42 2jxl h GLU 55 N -0.34 0.00 -0.31 0.86 5.08 -1.99 -2.79 114.58 115.09 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 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2jxl h GLU 55 CO 0.01 0.22 -0.01 1.49 -1.00 0.00 0.00 179.01 179.72 2jxl h GLU 56 N 0.00 0.55 -0.12 2.33 4.81 -1.92 -1.35 114.58 118.88 2jxl h GLU 56 Ca -0.00 -0.18 0.05 0.00 -0.13 0.00 0.00 59.36 59.09 2jxl h GLU 56 Cb 0.40 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 2jxl h GLU 56 CO 0.03 0.70 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.61 2jxl h LEU 57 N 0.35 -1.02 -1.64 1.64 3.38 -1.27 0.11 115.31 116.86 2jxl h LEU 57 Ca 0.09 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2jxl h LEU 57 Cb 0.45 0.43 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2jxl h LEU 57 CO 0.02 -0.37 -0.16 -0.61 0.09 0.00 0.00 178.44 177.41 2jxl h GLN 58 N -0.41 0.00 0.14 1.13 4.15 -1.55 -2.82 115.11 115.75 2jxl h GLN 58 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 2jxl h GLN 58 Cb 0.55 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 2jxl h GLN 58 CO -0.35 0.16 -0.09 1.49 -1.93 0.00 0.00 178.83 178.11 2jxl h GLU 59 N 0.00 -0.22 -0.25 1.69 4.57 0.20 -0.74 114.58 119.83 2jxl h GLU 59 Ca -0.00 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 2jxl h GLU 59 Cb 0.48 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2jxl h GLU 59 CO 0.02 -0.15 -0.33 0.52 -1.18 0.00 0.00 179.01 177.89 2jxl h MET 60 N -0.23 0.52 0.00 1.92 2.86 -1.31 -2.65 114.93 116.04 2jxl h MET 60 Ca -0.01 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 2jxl h MET 60 Cb 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2jxl h MET 60 CO 0.01 0.79 -0.11 0.82 1.06 0.00 0.00 176.91 179.48 2jxl h ILE 61 N 0.45 0.44 0.01 -1.22 2.04 -1.24 -2.36 117.51 115.62 2jxl h ILE 61 Ca 0.05 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2jxl h ILE 61 Cb 0.79 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2jxl h ILE 61 CO 0.06 0.11 -0.00 -0.78 0.00 0.00 0.00 178.15 177.54 2jxl h ASP 62 N 0.00 -0.01 0.88 1.72 3.58 -0.76 0.37 116.42 122.20 2jxl h ASP 62 Ca -0.00 -0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.10 2jxl h ASP 62 Cb 0.39 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2jxl h ASP 62 CO 0.01 0.29 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.33 2jxl h GLU 63 N -0.31 0.00 0.21 0.28 4.81 -1.57 -3.14 114.58 114.85 2jxl h GLU 63 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 2jxl h GLU 63 Cb 0.31 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.71 2jxl h GLU 63 CO 0.00 0.26 -1.35 0.28 -0.73 0.00 0.00 179.01 177.47 2jxl h VAL 64 N 0.00 1.28 -0.55 0.32 2.07 -1.27 -3.40 116.25 114.70 2jxl h VAL 64 Ca -0.00 -2.61 -0.40 0.00 0.82 0.00 0.00 66.70 64.50 2jxl h VAL 64 Cb 0.77 3.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 2jxl h VAL 64 CO 0.03 0.79 1.29 -0.62 0.02 0.00 0.00 177.57 179.08 2jxl s ASP 65 N -7.36 5.38 0.35 0.57 2.15 0.13 -4.70 116.67 113.18 2jxl s ASP 65 Ca -0.12 -1.81 0.14 0.00 0.43 0.00 0.00 52.55 51.19 2jxl s ASP 65 Cb 0.03 -2.59 0.63 0.00 -0.30 0.00 0.00 42.92 40.69 2jxl s ASP 65 CO 0.89 -2.71 1.74 1.05 -0.17 0.00 0.00 175.17 175.97 2jxl h GLU 66 N 9.32 0.00 -0.00 4.34 4.11 -1.81 -2.74 114.58 127.80 2jxl h GLU 66 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2jxl h GLU 66 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 2jxl h GLU 66 CO 1.27 0.44 -0.61 -0.40 0.07 0.00 0.00 179.01 179.78 2jxl n ASP 67 N -3.82 1.03 -3.54 3.06 5.68 -1.26 -4.98 116.55 112.72 2jxl n ASP 67 Ca -0.01 -0.83 -0.19 0.00 -0.50 0.00 0.00 54.79 53.25 2jxl n ASP 67 Cb 0.50 0.51 0.07 0.00 -1.14 0.00 0.00 41.12 41.06 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 -0.35 0.23 6.12 0.00 -1.03 -4.89 105.19 106.73 2jxl n GLY 68 Ca 0.07 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.34 2jxl n GLY 68 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jxl h SER 69 N -1.94 0.00 0.00 1.61 0.02 -1.94 -3.47 113.55 107.84 2jxl h SER 69 Ca -0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2jxl h SER 69 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2jxl h SER 69 CO 0.53 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 2jxl n GLY 70 N 0.81 0.86 3.55 -3.77 0.00 -1.26 -5.04 105.19 100.33 2jxl n GLY 70 Ca 0.03 0.00 -0.12 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 -2.15 0.00 -0.23 2.61 -4.23 -1.26 -4.74 115.64 105.64 2jxl s THR 71 Ca 0.00 -1.48 -0.13 0.00 -1.18 0.00 0.00 61.69 58.90 2jxl s THR 71 Cb 0.00 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 2jxl s THR 71 CO 0.00 0.00 0.29 -0.69 -0.54 0.00 0.00 174.62 173.68 2jxl s VAL 72 N -3.26 5.26 0.03 2.29 1.01 -0.39 -4.89 120.40 120.45 2jxl s VAL 72 Ca 0.27 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2jxl s VAL 72 Cb -0.01 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2jxl s VAL 72 CO 0.16 0.27 0.04 0.47 0.00 0.00 0.00 175.10 176.04 2jxl n ASP 73 N 4.55 0.07 0.01 3.32 8.00 -1.26 -2.27 116.55 128.97 2jxl n ASP 73 Ca -0.11 -1.06 -0.08 0.00 0.71 0.00 0.00 54.79 54.26 2jxl n ASP 73 Cb 0.51 -0.02 0.10 0.00 -0.02 0.00 0.00 41.12 41.69 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 -0.15 0.64 -0.13 1.24 3.57 -1.98 0.36 116.94 120.49 2jxl h PHE 74 Ca -0.01 -0.20 -0.16 0.00 3.53 0.00 0.00 57.97 61.12 2jxl h PHE 74 Cb 0.05 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2jxl h PHE 74 CO 0.00 0.89 -0.61 -0.44 -2.23 0.00 0.00 178.31 175.92 2jxl h ASP 75 N 0.43 0.52 0.61 0.41 5.19 -1.99 -1.70 116.42 119.88 2jxl h ASP 75 Ca 0.03 -0.30 -0.28 0.00 -0.62 0.00 0.00 57.03 55.86 2jxl h ASP 75 Cb 0.97 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.31 2jxl h ASP 75 CO 0.09 1.01 -1.38 -0.33 -3.12 0.00 0.00 179.24 175.51 2jxl h GLU 76 N 0.34 0.18 -0.28 3.56 5.08 -1.91 -3.09 114.58 118.46 2jxl h GLU 76 Ca -0.01 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2jxl h GLU 76 Cb 1.16 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2jxl h GLU 76 CO 0.11 1.05 -0.18 2.35 -1.00 0.00 0.00 179.01 181.33 2jxl h TRP 77 N 0.05 0.73 -0.01 4.33 7.01 -0.28 -1.71 115.95 126.06 2jxl h TRP 77 Ca -0.18 -0.19 -0.00 0.00 2.11 0.00 0.00 58.89 60.63 2jxl h TRP 77 Cb 1.96 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 28.85 2jxl h TRP 77 CO 0.04 0.89 0.00 1.25 -2.79 0.00 0.00 178.44 177.83 2jxl h LEU 78 N 0.36 0.02 -1.79 0.65 6.46 -1.43 -2.73 115.31 116.84 2jxl h LEU 78 Ca 0.06 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 2jxl h LEU 78 Cb 0.72 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.64 2jxl h LEU 78 CO 0.05 0.19 -0.05 -0.37 -0.62 0.00 0.00 178.44 177.64 2jxl h VAL 79 N -0.15 1.07 -0.89 1.05 -1.51 -1.57 -2.46 116.25 111.79 2jxl h VAL 79 Ca 0.00 -0.30 0.16 0.00 -1.23 0.00 0.00 66.70 65.34 2jxl h VAL 79 Cb 0.17 1.09 -0.10 0.00 -2.13 0.00 0.00 31.29 30.32 2jxl h VAL 79 CO -0.00 0.09 0.48 -0.03 -1.23 0.00 0.00 177.57 176.88 2jxl h MET 80 N 0.07 0.63 -0.31 5.19 1.85 -0.98 -0.79 114.93 120.58 2jxl h MET 80 Ca 0.02 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.00 2jxl h MET 80 Cb 0.14 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2jxl h MET 80 CO 0.01 0.42 -0.08 1.98 -0.40 0.00 0.00 176.91 178.83 2jxl h MET 81 N 0.65 0.61 -0.21 0.39 -1.53 -1.48 -2.85 114.93 110.51 2jxl h MET 81 Ca 0.50 -0.23 0.06 0.00 -3.44 0.00 0.00 59.70 56.59 2jxl h MET 81 Cb 0.74 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.75 2jxl h MET 81 CO -0.38 0.79 0.16 0.00 0.14 0.00 0.00 176.91 177.63 2jxl h ALA 82 N 0.80 2.13 0.00 0.39 0.00 -1.20 0.33 119.26 121.71 2jxl h ALA 82 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jxl h ALA 82 Cb 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jxl h ALA 82 CO 0.03 -0.27 -0.07 -0.09 0.00 0.00 0.00 179.25 178.85 2jxl h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -1.04 -1.12 114.38 114.65 2jxl h ARG 83 Ca 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2jxl h ARG 83 Cb 0.43 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2jxl h ARG 83 CO -0.00 0.07 -0.15 0.00 -1.51 0.00 0.00 179.97 178.38 2jxl h MET 85 N 0.00 0.30 -6.07 0.00 2.86 -1.31 -3.47 114.93 107.23 2jxl h MET 85 Ca -0.00 -0.40 -0.41 0.00 -2.06 0.00 0.00 59.70 56.82 2jxl h MET 85 Cb 0.60 0.13 -0.17 0.00 0.06 0.00 0.00 31.60 32.22 2jxl h MET 85 CO 0.02 1.13 -0.61 1.17 1.06 0.00 0.00 176.91 179.68 2jxl n LYS 86 N -3.62 -2.55 -3.97 1.72 3.00 -1.08 -0.10 118.16 111.55 2jxl n LYS 86 Ca -0.07 0.29 -0.28 0.00 -0.00 0.00 0.00 58.31 58.25 2jxl n LYS 86 Cb 0.92 -4.93 -0.01 0.00 0.00 0.00 0.00 35.03 31.01 2jxl n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jxl n ASP 87 N -2.27 -1.62 -3.47 3.14 2.03 -1.26 -0.88 116.55 112.22 2jxl n ASP 87 Ca 0.04 -0.96 -0.21 0.00 0.52 0.00 0.00 54.79 54.19 2jxl n ASP 87 Cb 0.50 -3.22 0.08 0.00 -0.72 0.00 0.00 41.12 37.76 2jxl n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2jxl n ASP 88 N -2.91 -4.55 0.00 1.67 8.00 0.86 -5.19 116.55 114.44 2jxl n ASP 88 Ca -0.18 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.76 2jxl n ASP 88 Cb 0.62 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 2jxl n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57