#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oj1 h TRP 3 N 0.00 1.13 -0.23 2.11 -0.00 -1.90 0.26 115.95 117.33 1oj1 h TRP 3 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.89 1oj1 h TRP 3 Cb 0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 29.16 28.78 1oj1 h TRP 3 CO 0.00 0.64 0.04 0.22 -0.00 0.00 0.00 178.44 179.34 1oj1 h ASP 4 N 1.15 0.36 0.10 2.65 -0.00 -1.99 -2.23 116.42 116.46 1oj1 h ASP 4 Ca 0.38 -0.25 -0.14 0.00 -0.00 0.00 0.00 57.03 57.01 1oj1 h ASP 4 Cb 0.04 -0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 1oj1 h ASP 4 CO -0.13 0.52 -0.50 0.74 -0.00 0.00 0.00 179.24 179.86 1oj1 h THR 5 N 0.18 1.33 -0.64 2.25 2.02 -1.92 -2.67 112.91 113.46 1oj1 h THR 5 Ca 0.07 -1.74 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 1oj1 h THR 5 Cb 0.31 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1oj1 h THR 5 CO 0.00 0.53 0.33 0.15 0.37 0.00 0.00 175.52 176.91 1oj1 h PHE 6 N 0.36 0.89 -0.26 3.16 3.57 -0.83 -2.58 116.94 121.24 1oj1 h PHE 6 Ca 0.01 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1oj1 h PHE 6 Cb 1.01 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1oj1 h PHE 6 CO 0.03 0.65 0.03 1.96 -2.23 0.00 0.00 178.31 178.76 1oj1 h GLN 7 N 0.87 0.45 -0.99 1.11 4.20 -1.32 -1.15 115.11 118.28 1oj1 h GLN 7 Ca 0.22 -0.13 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1oj1 h GLN 7 Cb 0.07 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 1oj1 h GLN 7 CO -0.03 0.58 0.63 0.87 -0.67 0.00 0.00 178.83 180.21 1oj1 h LYS 8 N 0.25 1.08 -0.09 1.46 1.57 -1.35 -2.16 116.57 117.33 1oj1 h LYS 8 Ca 0.08 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1oj1 h LYS 8 Cb 0.36 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1oj1 h LYS 8 CO 0.01 0.72 0.00 0.36 -0.57 0.00 0.00 179.45 179.97 1oj1 n LYS 9 N -4.54 1.57 0.00 3.15 2.85 -0.98 -4.65 118.16 115.55 1oj1 n LYS 9 Ca 0.16 -1.63 0.00 0.00 -1.05 0.00 0.00 58.31 55.79 1oj1 n LYS 9 Cb 0.21 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 1oj1 n LYS 9 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1oj1 n HIS 10 N 0.97 0.00 -4.36 5.58 8.25 -0.44 -4.75 115.22 120.46 1oj1 n HIS 10 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 1oj1 n HIS 10 Cb 0.44 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 1oj1 n HIS 10 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oj1 s LEU 11 N -0.57 3.31 0.03 2.41 1.43 -0.82 0.73 118.68 125.20 1oj1 s LEU 11 Ca 0.00 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1oj1 s LEU 11 Cb 0.00 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 1oj1 s LEU 11 CO 0.00 0.27 0.01 0.28 0.23 0.00 0.00 176.35 177.14 1oj1 s THR 12 N -1.06 0.14 -0.98 5.49 -1.32 -0.04 -4.81 115.64 113.07 1oj1 s THR 12 Ca 0.19 -1.13 0.21 0.00 -1.21 0.00 0.00 61.69 59.75 1oj1 s THR 12 Cb -0.11 -0.67 -0.22 0.00 -1.51 0.00 0.00 72.50 69.99 1oj1 s THR 12 CO 0.09 -0.62 0.92 -0.90 -2.21 0.00 0.00 174.62 171.90 1oj1 n ASP 13 N 1.10 0.96 -4.18 8.08 5.75 -1.26 -3.41 116.55 123.59 1oj1 n ASP 13 Ca -0.21 -0.94 -0.17 0.00 -0.01 0.00 0.00 54.79 53.46 1oj1 n ASP 13 Cb 0.57 0.98 -0.12 0.00 -1.03 0.00 0.00 41.12 41.53 1oj1 n ASP 13 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1oj1 s THR 14 N -3.01 1.10 -0.18 2.12 -1.32 -1.26 -5.02 115.64 108.06 1oj1 s THR 14 Ca 0.08 -1.42 0.16 0.00 -1.21 0.00 0.00 61.69 59.30 1oj1 s THR 14 Cb 0.16 -1.18 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1oj1 s THR 14 CO 0.86 -0.32 1.36 0.11 -2.21 0.00 0.00 174.62 174.42 1oj1 h LYS 15 N 4.05 0.00 -3.47 7.08 1.57 -2.00 -3.38 116.57 120.41 1oj1 h LYS 15 Ca -0.40 0.00 -0.80 0.00 -1.87 0.00 0.00 60.65 57.58 1oj1 h LYS 15 Cb 1.19 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.22 1oj1 h LYS 15 CO 0.44 0.41 0.49 1.63 -0.57 0.00 0.00 179.45 181.85 1oj1 n LYS 16 N -3.15 3.66 -2.39 3.15 5.02 -1.26 -4.81 118.16 118.39 1oj1 n LYS 16 Ca 0.00 -4.47 -0.38 0.00 -2.02 0.00 0.00 58.31 51.44 1oj1 n LYS 16 Cb 0.72 -2.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 1oj1 n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1oj1 s VAL 17 N -1.50 3.36 -1.13 -0.18 1.01 -1.26 -4.94 120.40 115.76 1oj1 s VAL 17 Ca 0.31 1.12 -0.14 0.00 0.00 0.00 0.00 61.98 63.27 1oj1 s VAL 17 Cb -0.08 -3.62 0.17 0.00 0.00 0.00 0.00 36.38 32.86 1oj1 s VAL 17 CO -0.06 0.08 1.33 -0.54 0.00 0.00 0.00 175.10 175.91 1oj1 s LYS 18 N -2.32 3.99 0.13 2.72 -0.14 -1.26 -4.89 119.74 117.97 1oj1 s LYS 18 Ca 0.57 -2.47 -0.29 0.00 -1.36 0.00 0.00 55.97 52.42 1oj1 s LYS 18 Cb -0.28 -4.98 -0.06 0.00 -1.68 0.00 0.00 37.83 30.84 1oj1 s LYS 18 CO 0.35 -1.71 1.59 0.00 -0.76 0.00 0.00 175.35 174.81 1oj1 h ASP 20 N -0.51 0.00 0.03 0.00 5.19 -1.87 0.89 116.42 120.15 1oj1 h ASP 20 Ca 0.07 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.40 1oj1 h ASP 20 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1oj1 h ASP 20 CO -0.37 0.00 -0.38 0.58 -3.12 0.00 0.00 179.24 175.95 1oj1 h VAL 21 N 0.00 1.60 0.11 -1.35 2.07 -1.71 -3.36 116.25 113.61 1oj1 h VAL 21 Ca 0.30 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 1oj1 h VAL 21 Cb 1.21 3.19 0.00 0.00 -1.52 0.00 0.00 31.29 34.17 1oj1 h VAL 21 CO -0.00 0.60 -0.05 -0.33 0.02 0.00 0.00 177.57 177.81 1oj1 h GLU 22 N -0.84 -0.14 -0.14 1.57 4.39 -0.25 -3.30 114.58 115.88 1oj1 h GLU 22 Ca -0.08 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1oj1 h GLU 22 Cb 1.21 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1oj1 h GLU 22 CO 0.01 0.19 0.19 0.52 -1.16 0.00 0.00 179.01 178.75 1oj1 h MET 23 N -0.47 0.00 0.00 2.33 2.86 -1.06 -1.15 114.93 117.44 1oj1 h MET 23 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1oj1 h MET 23 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1oj1 h MET 23 CO 0.02 0.00 0.00 0.36 1.06 0.00 0.00 176.91 178.35 1oj1 n LYS 24 N -3.65 0.15 -2.10 1.72 2.85 -1.24 -1.00 118.16 114.90 1oj1 n LYS 24 Ca 0.01 0.25 -0.37 0.00 -1.05 0.00 0.00 58.31 57.15 1oj1 n LYS 24 Cb 0.30 -1.72 0.01 0.00 -0.65 0.00 0.00 35.03 32.96 1oj1 n LYS 24 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1oj1 s LYS 25 N -3.14 3.37 0.56 -1.58 1.02 -0.44 -4.63 119.74 114.90 1oj1 s LYS 25 Ca 0.08 1.86 0.29 0.00 0.02 0.00 0.00 55.97 58.22 1oj1 s LYS 25 Cb 0.12 -2.20 1.47 0.00 -0.52 0.00 0.00 37.83 36.70 1oj1 s LYS 25 CO 0.46 -0.90 1.93 0.00 -0.92 0.00 0.00 175.35 175.93 1oj1 h ALA 26 N 1.51 2.41 -0.25 5.17 0.00 -1.89 0.17 119.26 126.38 1oj1 h ALA 26 Ca -0.50 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1oj1 h ALA 26 Cb 1.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1oj1 h ALA 26 CO 0.58 -0.77 0.10 -0.07 0.00 0.00 0.00 179.25 179.08 1oj1 h LEU 27 N 0.00 0.31 0.00 0.00 3.38 -1.92 -3.23 115.31 113.85 1oj1 h LEU 27 Ca 0.27 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.94 1oj1 h LEU 27 Cb 1.22 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1oj1 h LEU 27 CO -0.00 0.29 -2.05 0.49 0.09 0.00 0.00 178.44 177.26 1oj1 n PHE 28 N -4.43 0.00 -4.14 1.13 3.72 -0.05 -5.02 117.46 108.67 1oj1 n PHE 28 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1oj1 n PHE 28 Cb 0.13 -0.74 -0.02 0.00 -0.94 0.00 0.00 39.48 37.90 1oj1 n PHE 28 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1oj1 n ASP 29 N -2.68 -2.64 -3.78 4.37 2.03 0.41 -1.77 116.55 112.49 1oj1 n ASP 29 Ca -0.27 -1.00 -0.25 0.00 0.52 0.00 0.00 54.79 53.80 1oj1 n ASP 29 Cb 0.96 -2.90 0.03 0.00 -0.72 0.00 0.00 41.12 38.49 1oj1 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oj1 s LYS 31 N -6.24 2.07 0.17 0.00 -2.85 -0.73 -4.94 119.74 107.23 1oj1 s LYS 31 Ca 0.30 0.92 -0.14 0.00 -1.00 0.00 0.00 55.97 56.04 1oj1 s LYS 31 Cb -0.15 -1.89 0.14 0.00 -2.06 0.00 0.00 37.83 33.86 1oj1 s LYS 31 CO 0.81 -1.70 1.73 0.87 0.10 0.00 0.00 175.35 177.17 1oj1 h LYS 32 N -1.16 0.26 -3.28 1.78 1.57 -1.93 -3.43 116.57 110.38 1oj1 h LYS 32 Ca -0.46 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.17 1oj1 h LYS 32 Cb 1.25 -0.06 -0.21 0.00 0.08 0.00 0.00 32.23 33.29 1oj1 h LYS 32 CO 0.55 0.17 -0.39 0.99 -0.57 0.00 0.00 179.45 180.20 1oj1 s THR 33 N -6.15 0.07 -0.14 -0.16 2.01 -1.26 -0.59 115.64 109.42 1oj1 s THR 33 Ca -0.13 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.25 1oj1 s THR 33 Cb 0.14 -0.51 0.06 0.00 0.01 0.00 0.00 72.50 72.21 1oj1 s THR 33 CO 0.72 -0.31 0.32 0.21 -0.69 0.00 0.00 174.62 174.87 1oj1 s ASN 34 N -1.27 -0.07 -0.22 3.53 2.47 -0.90 -5.01 114.94 113.47 1oj1 s ASN 34 Ca -0.13 0.71 -0.10 0.00 0.42 0.00 0.00 52.86 53.76 1oj1 s ASN 34 Cb -0.06 0.78 -0.05 0.00 -1.45 0.00 0.00 41.25 40.46 1oj1 s ASN 34 CO 0.03 -0.21 0.14 -0.89 -3.72 0.00 0.00 177.10 172.45 1oj1 s THR 35 N 2.00 5.36 0.23 -5.21 2.01 -1.26 -1.58 115.64 117.19 1oj1 s THR 35 Ca -0.04 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1oj1 s THR 35 Cb -0.11 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1oj1 s THR 35 CO -0.10 0.39 0.36 -0.36 -0.69 0.00 0.00 174.62 174.22 1oj1 s PHE 36 N 0.75 3.47 -0.13 4.92 0.40 0.12 -4.69 117.98 122.81 1oj1 s PHE 36 Ca 0.08 0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1oj1 s PHE 36 Cb -0.12 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1oj1 s PHE 36 CO 0.02 0.42 -0.21 0.42 0.70 0.00 0.00 175.22 176.57 1oj1 s ILE 37 N -1.95 1.98 -0.81 0.64 1.01 0.22 -2.88 121.20 119.40 1oj1 s ILE 37 Ca 0.35 -0.93 -0.21 0.00 0.00 0.00 0.00 60.65 59.85 1oj1 s ILE 37 Cb -0.10 -1.75 0.09 0.00 0.01 0.00 0.00 42.46 40.71 1oj1 s ILE 37 CO 0.30 0.53 1.11 0.12 0.00 0.00 0.00 174.94 177.00 1oj1 s PHE 38 N 0.82 2.79 -0.05 3.97 2.19 -0.90 -0.86 117.98 125.95 1oj1 s PHE 38 Ca -0.07 -0.87 -0.31 0.00 0.33 0.00 0.00 56.93 56.01 1oj1 s PHE 38 Cb -0.15 -4.37 0.11 0.00 -1.31 0.00 0.00 43.02 37.30 1oj1 s PHE 38 CO -0.02 -1.66 1.13 0.00 1.83 0.00 0.00 175.22 176.51 1oj1 s ALA 39 N 3.79 -2.01 0.40 11.12 0.00 -1.22 -4.57 121.76 129.26 1oj1 s ALA 39 Ca 0.30 0.98 -0.08 0.00 0.00 0.00 0.00 51.96 53.16 1oj1 s ALA 39 Cb -0.10 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1oj1 s ALA 39 CO 0.00 -0.83 0.73 1.03 0.00 0.00 0.00 175.76 176.70 1oj1 s ARG 40 N -2.69 3.70 0.24 0.00 1.81 -1.26 -4.38 118.95 116.38 1oj1 s ARG 40 Ca 0.10 0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 54.40 1oj1 s ARG 40 Cb 0.01 -2.43 0.45 0.00 -0.45 0.00 0.00 34.95 32.52 1oj1 s ARG 40 CO -0.04 -0.02 1.73 -1.35 -0.68 0.00 0.00 175.30 174.94 1oj1 h PRO 41 N 1.12 0.44 -0.32 3.54 0.11 -2.00 -2.91 132.00 131.98 1oj1 h PRO 41 Ca -0.47 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.68 1oj1 h PRO 41 Cb 1.19 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1oj1 h PRO 41 CO 0.64 0.29 -0.19 -1.35 -0.21 0.00 0.00 178.00 177.18 1oj1 h PRO 42 N 0.45 -0.14 -0.59 1.05 0.11 -1.99 0.21 132.00 131.10 1oj1 h PRO 42 Ca 0.41 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.53 1oj1 h PRO 42 Cb 0.61 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.72 1oj1 h PRO 42 CO -0.39 -0.09 0.39 -0.09 -0.21 0.00 0.00 178.00 177.60 1oj1 h ARG 43 N -0.15 0.78 -0.12 1.05 2.43 -1.92 -1.83 114.38 114.62 1oj1 h ARG 43 Ca 0.17 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1oj1 h ARG 43 Cb 0.40 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1oj1 h ARG 43 CO -0.41 0.51 -0.02 0.28 -1.51 0.00 0.00 179.97 178.82 1oj1 h VAL 44 N 0.80 1.28 -0.77 0.20 2.07 -1.34 -3.15 116.25 115.35 1oj1 h VAL 44 Ca 0.22 -0.92 0.11 0.00 0.82 0.00 0.00 66.70 66.92 1oj1 h VAL 44 Cb -0.09 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 1oj1 h VAL 44 CO -0.05 0.27 0.39 -0.61 0.02 0.00 0.00 177.57 177.58 1oj1 h GLN 45 N -0.08 0.60 -0.34 1.57 4.15 -0.37 -1.88 115.11 118.76 1oj1 h GLN 45 Ca 0.03 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.51 1oj1 h GLN 45 Cb 0.42 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1oj1 h GLN 45 CO 0.01 0.40 0.38 0.00 -1.93 0.00 0.00 178.83 177.69 1oj1 h ALA 46 N 1.47 2.01 0.00 3.38 0.00 -1.29 -1.27 119.26 123.56 1oj1 h ALA 46 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1oj1 h ALA 46 Cb 0.46 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1oj1 h ALA 46 CO -0.30 -0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 178.25 1oj1 h LEU 47 N 0.00 0.00 -1.03 0.00 4.07 -1.42 -2.63 115.31 114.31 1oj1 h LEU 47 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1oj1 h LEU 47 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1oj1 h LEU 47 CO -0.00 0.08 0.00 0.00 -1.08 0.00 0.00 178.44 177.44 1oj1 s LYS 49 N -1.90 4.22 -1.52 0.00 1.02 -0.99 -2.64 119.74 117.93 1oj1 s LYS 49 Ca 0.35 2.33 -0.01 0.00 0.02 0.00 0.00 55.97 58.67 1oj1 s LYS 49 Cb 0.19 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1oj1 s LYS 49 CO 0.30 -0.60 0.16 0.09 -0.92 0.00 0.00 175.35 174.38 1oj1 n ASN 50 N 4.08 -5.45 -4.62 2.83 4.13 -1.26 -5.01 115.26 109.96 1oj1 n ASN 50 Ca 0.14 -0.09 -0.34 0.00 1.68 0.00 0.00 54.58 55.96 1oj1 n ASN 50 Cb 0.39 -4.44 -0.10 0.00 -1.54 0.00 0.00 39.78 34.09 1oj1 n ASN 50 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1oj1 s ILE 51 N -2.98 4.47 0.31 2.41 -1.09 -1.08 -5.07 121.20 118.17 1oj1 s ILE 51 Ca 0.08 -0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 58.05 1oj1 s ILE 51 Cb -0.04 -2.97 -0.12 0.00 -1.58 0.00 0.00 42.46 37.76 1oj1 s ILE 51 CO 0.10 0.51 1.54 1.17 -1.23 0.00 0.00 174.94 177.03 1oj1 n LYS 52 N 3.15 2.60 -1.64 2.79 4.81 -1.26 -4.60 118.16 124.00 1oj1 n LYS 52 Ca -0.17 0.92 -0.44 0.00 -0.87 0.00 0.00 58.31 57.74 1oj1 n LYS 52 Cb 0.53 -2.67 -0.02 0.00 0.02 0.00 0.00 35.03 32.89 1oj1 n LYS 52 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1oj1 n ASN 53 N 1.69 2.14 -1.98 3.14 3.02 -1.26 -2.10 115.26 119.91 1oj1 n ASN 53 Ca 0.07 1.17 -0.19 0.00 -0.03 0.00 0.00 54.58 55.61 1oj1 n ASN 53 Cb 0.37 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.13 1oj1 n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1oj1 n ASN 54 N 1.41 -5.41 -4.45 6.41 5.15 0.81 -4.99 115.26 114.19 1oj1 n ASN 54 Ca 0.09 0.10 -0.24 0.00 -0.60 0.00 0.00 54.58 53.93 1oj1 n ASN 54 Cb 0.32 -4.49 -0.10 0.00 -0.53 0.00 0.00 39.78 34.98 1oj1 n ASN 54 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1oj1 s THR 55 N -2.88 2.41 0.33 -0.44 -4.23 -0.89 -4.90 115.64 105.02 1oj1 s THR 55 Ca 0.00 -2.33 -0.01 0.00 -1.18 0.00 0.00 61.69 58.17 1oj1 s THR 55 Cb 0.00 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1oj1 s THR 55 CO 0.00 -0.36 0.55 0.20 -0.54 0.00 0.00 174.62 174.46 1oj1 s ASN 56 N -3.35 6.34 -0.02 3.99 0.01 -1.26 -1.61 114.94 119.04 1oj1 s ASN 56 Ca 0.28 0.54 0.01 0.00 -0.71 0.00 0.00 52.86 52.98 1oj1 s ASN 56 Cb -0.05 -2.07 0.01 0.00 0.41 0.00 0.00 41.25 39.55 1oj1 s ASN 56 CO 0.14 -0.26 -0.04 0.54 -1.51 0.00 0.00 177.10 175.97 1oj1 s VAL 57 N -2.24 0.38 -0.24 1.60 0.11 0.17 -4.96 120.40 115.22 1oj1 s VAL 57 Ca 0.41 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 59.24 1oj1 s VAL 57 Cb -0.10 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1oj1 s VAL 57 CO 0.34 0.15 0.13 -0.22 -3.33 0.00 0.00 175.10 172.17 1oj1 s LEU 58 N 0.37 3.88 0.64 2.54 2.96 -1.26 -1.62 118.68 126.19 1oj1 s LEU 58 Ca -0.04 -0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 53.71 1oj1 s LEU 58 Cb -0.08 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1oj1 s LEU 58 CO -0.00 0.03 1.12 -0.94 -1.32 0.00 0.00 176.35 175.23 1oj1 s SER 59 N 1.27 5.19 -0.13 3.68 1.04 -0.85 -4.96 113.70 118.95 1oj1 s SER 59 Ca 0.06 2.05 0.08 0.00 0.48 0.00 0.00 55.95 58.63 1oj1 s SER 59 Cb -0.14 -2.56 -0.23 0.00 0.10 0.00 0.00 66.02 63.18 1oj1 s SER 59 CO 0.05 -1.57 0.34 0.54 0.98 0.00 0.00 173.24 173.58 1oj1 n ARG 60 N -2.21 0.68 -3.01 4.02 5.12 -1.26 -4.67 116.66 115.32 1oj1 n ARG 60 Ca 0.11 0.20 -0.25 0.00 -1.93 0.00 0.00 57.85 55.97 1oj1 n ARG 60 Cb 0.52 -1.67 -0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1oj1 n ARG 60 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1oj1 s ASP 61 N -6.20 6.21 0.24 0.55 2.15 -1.26 -5.02 116.67 113.35 1oj1 s ASP 61 Ca -0.14 0.63 0.04 0.00 0.43 0.00 0.00 52.55 53.52 1oj1 s ASP 61 Cb 0.07 -2.06 -0.03 0.00 -0.30 0.00 0.00 42.92 40.61 1oj1 s ASP 61 CO 0.79 -0.47 0.37 0.68 -0.17 0.00 0.00 175.17 176.36 1oj1 s VAL 62 N -2.53 5.25 0.05 1.11 -7.23 -1.26 -4.54 120.40 111.25 1oj1 s VAL 62 Ca 0.44 -0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 59.71 1oj1 s VAL 62 Cb -0.10 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 1oj1 s VAL 62 CO 0.40 -0.32 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.47 1oj1 s PHE 63 N -1.98 0.52 -0.02 2.82 0.40 -0.88 -4.95 117.98 113.88 1oj1 s PHE 63 Ca 0.35 -0.87 -0.24 0.00 -0.60 0.00 0.00 56.93 55.56 1oj1 s PHE 63 Cb -0.09 -0.36 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1oj1 s PHE 63 CO 0.30 -0.28 0.74 -0.47 0.70 0.00 0.00 175.22 176.20 1oj1 s TYR 64 N -3.08 3.64 -0.61 0.36 5.04 -1.26 -2.08 117.35 119.36 1oj1 s TYR 64 Ca 0.01 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1oj1 s TYR 64 Cb 0.02 -2.82 0.15 0.00 0.35 0.00 0.00 41.96 39.66 1oj1 s TYR 64 CO -0.06 0.16 0.40 -0.51 -1.34 0.00 0.00 175.55 174.19 1oj1 s LEU 65 N 0.47 4.86 0.10 6.97 1.43 0.13 -2.11 118.68 130.54 1oj1 s LEU 65 Ca 0.39 -3.05 -0.31 0.00 -1.03 0.00 0.00 54.13 50.12 1oj1 s LEU 65 Cb -0.19 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.19 1oj1 s LEU 65 CO 0.20 -0.28 1.58 -2.84 0.23 0.00 0.00 176.35 175.24 1oj1 s PRO 66 N -0.35 4.22 -0.06 1.29 0.02 -1.14 -3.34 135.00 135.64 1oj1 s PRO 66 Ca 0.18 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.53 1oj1 s PRO 66 Cb -0.21 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 30.91 1oj1 s PRO 66 CO -0.03 -0.65 -0.18 -1.14 -0.33 0.00 0.00 177.00 174.67 1oj1 s GLN 67 N 1.94 2.08 -0.30 5.54 0.74 0.26 0.12 119.66 130.04 1oj1 s GLN 67 Ca 0.71 -0.63 -0.10 0.00 0.05 0.00 0.00 55.36 55.39 1oj1 s GLN 67 Cb -0.40 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 1oj1 s GLN 67 CO 0.31 0.17 0.17 0.00 -0.55 0.00 0.00 175.29 175.39 1oj1 s ASN 69 N 1.68 3.69 0.09 0.00 0.01 -0.93 -2.11 114.94 117.37 1oj1 s ASN 69 Ca 0.06 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.49 1oj1 s ASN 69 Cb -0.16 -1.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.89 1oj1 s ASN 69 CO 0.08 0.16 1.27 -0.60 -1.51 0.00 0.00 177.10 176.51 1oj1 s ARG 70 N 0.35 4.39 -0.07 -0.60 3.52 0.24 -1.12 118.95 125.66 1oj1 s ARG 70 Ca -0.14 1.90 0.06 0.00 -0.13 0.00 0.00 55.73 57.42 1oj1 s ARG 70 Cb -0.17 -3.30 -0.08 0.00 -1.56 0.00 0.00 34.95 29.84 1oj1 s ARG 70 CO 0.07 -0.31 0.02 0.36 -0.81 0.00 0.00 175.30 174.63 1oj1 n LYS 71 N 3.79 2.68 -4.10 5.12 2.85 0.26 -4.91 118.16 123.85 1oj1 n LYS 71 Ca 0.09 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.20 1oj1 n LYS 71 Cb 0.45 -1.18 -0.15 0.00 -0.65 0.00 0.00 35.03 33.50 1oj1 n LYS 71 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1oj1 s LYS 72 N -2.17 0.39 0.51 -1.58 -0.14 -1.00 -5.04 119.74 110.71 1oj1 s LYS 72 Ca -0.04 -0.13 -0.20 0.00 -1.36 0.00 0.00 55.97 54.24 1oj1 s LYS 72 Cb 0.02 -0.40 -0.07 0.00 -1.68 0.00 0.00 37.83 35.69 1oj1 s LYS 72 CO 0.28 0.05 1.08 -0.51 -0.76 0.00 0.00 175.35 175.49 1oj1 s LEU 73 N 0.11 3.82 0.12 3.17 1.02 -1.26 -1.29 118.68 124.37 1oj1 s LEU 73 Ca -0.01 2.04 0.22 0.00 0.02 0.00 0.00 54.13 56.41 1oj1 s LEU 73 Cb -0.04 -4.55 -0.10 0.00 0.02 0.00 0.00 46.19 41.52 1oj1 s LEU 73 CO -0.00 -0.96 0.87 -0.81 0.02 0.00 0.00 176.35 175.47 1oj1 n PRO 74 N -1.08 0.60 -2.70 1.29 -0.04 -1.26 -4.76 135.00 127.06 1oj1 n PRO 74 Ca 0.10 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1oj1 n PRO 74 Cb 0.52 -1.72 0.08 0.00 -0.04 0.00 0.00 33.50 32.33 1oj1 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oj1 s HIS 76 N -1.57 3.00 0.31 0.00 5.04 -0.41 -4.79 115.29 116.87 1oj1 s HIS 76 Ca 0.23 -0.48 0.11 0.00 -1.54 0.00 0.00 55.06 53.38 1oj1 s HIS 76 Cb 0.42 -2.01 -0.06 0.00 0.04 0.00 0.00 32.58 30.97 1oj1 s HIS 76 CO -0.04 -0.20 -0.15 0.71 -2.34 0.00 0.00 174.74 172.73 1oj1 s TYR 77 N 0.75 2.32 -0.09 3.88 1.51 -1.26 -0.58 117.35 123.88 1oj1 s TYR 77 Ca -0.01 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.66 1oj1 s TYR 77 Cb -0.14 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 1oj1 s TYR 77 CO 0.02 0.63 -0.21 0.50 -1.11 0.00 0.00 175.55 175.39 1oj1 s ARG 78 N -3.57 2.88 -0.14 -0.62 3.52 -0.28 -4.82 118.95 115.93 1oj1 s ARG 78 Ca 0.31 -0.82 -0.21 0.00 -0.13 0.00 0.00 55.73 54.87 1oj1 s ARG 78 Cb -0.01 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 31.01 1oj1 s ARG 78 CO 0.15 0.31 0.63 -1.17 -0.81 0.00 0.00 175.30 174.42 1oj1 s LEU 79 N 0.03 4.23 0.19 -0.88 2.96 -1.26 -2.19 118.68 121.75 1oj1 s LEU 79 Ca -0.08 0.96 0.08 0.00 -0.22 0.00 0.00 54.13 54.87 1oj1 s LEU 79 Cb -0.15 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 1oj1 s LEU 79 CO 0.05 -0.17 -0.16 -1.81 -1.32 0.00 0.00 176.35 172.94 1oj1 s ASP 80 N 0.94 2.62 0.07 3.68 1.01 0.41 -4.98 116.67 120.43 1oj1 s ASP 80 Ca 0.31 -0.94 -0.10 0.00 0.71 0.00 0.00 52.55 52.53 1oj1 s ASP 80 Cb -0.16 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 43.63 1oj1 s ASP 80 CO 0.13 -0.10 0.22 -0.83 0.21 0.00 0.00 175.17 174.80 1oj1 s GLY 81 N -2.99 0.02 0.29 0.21 0.00 -1.26 0.91 107.32 104.49 1oj1 s GLY 81 Ca 0.19 -0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.34 1oj1 s GLY 81 CO 0.07 -0.58 0.91 -1.35 0.00 0.00 0.00 173.10 172.15 1oj1 s SER 82 N -2.51 0.01 -0.05 1.64 1.04 -1.21 -5.00 113.70 107.63 1oj1 s SER 82 Ca 0.00 -0.94 0.03 0.00 0.48 0.00 0.00 55.95 55.53 1oj1 s SER 82 Cb 0.02 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1oj1 s SER 82 CO -0.08 -1.36 -0.14 0.42 0.98 0.00 0.00 173.24 173.06 1oj1 s THR 83 N -2.18 1.18 0.04 2.02 -4.23 -1.26 0.19 115.64 111.41 1oj1 s THR 83 Ca 0.19 -0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 1oj1 s THR 83 Cb -0.04 -1.05 0.10 0.00 1.34 0.00 0.00 72.50 72.85 1oj1 s THR 83 CO 0.09 0.36 1.19 0.21 -0.54 0.00 0.00 174.62 175.92 1oj1 s ASN 84 N 0.32 -0.05 0.71 3.99 3.84 -0.88 -4.95 114.94 117.91 1oj1 s ASN 84 Ca -0.08 -0.28 -0.11 0.00 0.21 0.00 0.00 52.86 52.60 1oj1 s ASN 84 Cb -0.13 0.27 0.01 0.00 -0.55 0.00 0.00 41.25 40.86 1oj1 s ASN 84 CO 0.02 -0.51 1.07 0.42 -2.79 0.00 0.00 177.10 175.32 1oj1 s THR 85 N -2.45 3.80 0.03 -5.21 -4.23 -1.26 -2.08 115.64 104.24 1oj1 s THR 85 Ca 0.18 0.58 0.05 0.00 -1.18 0.00 0.00 61.69 61.33 1oj1 s THR 85 Cb 0.02 -3.44 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 1oj1 s THR 85 CO -0.01 -0.76 -0.16 0.27 -0.54 0.00 0.00 174.62 173.42 1oj1 s ILE 86 N -3.18 1.26 -0.23 2.99 -4.36 -1.26 -1.43 121.20 114.99 1oj1 s ILE 86 Ca 0.58 -0.98 -0.06 0.00 -0.26 0.00 0.00 60.65 59.93 1oj1 s ILE 86 Cb -0.13 -1.11 -0.02 0.00 1.25 0.00 0.00 42.46 42.45 1oj1 s ILE 86 CO 0.54 0.12 0.02 0.00 0.24 0.00 0.00 174.94 175.85 1oj1 s LEU 88 N 1.51 2.74 -0.22 0.00 1.02 -0.64 0.25 118.68 123.34 1oj1 s LEU 88 Ca 0.06 -0.49 -0.13 0.00 0.02 0.00 0.00 54.13 53.59 1oj1 s LEU 88 Cb -0.15 -1.59 -0.05 0.00 0.02 0.00 0.00 46.19 44.43 1oj1 s LEU 88 CO 0.00 0.20 0.26 -0.89 0.02 0.00 0.00 176.35 175.95 1oj1 s THR 89 N -1.09 5.30 0.10 5.49 2.01 -0.57 -0.66 115.64 126.22 1oj1 s THR 89 Ca 0.17 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.62 1oj1 s THR 89 Cb -0.11 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1oj1 s THR 89 CO 0.09 0.31 0.11 0.00 -0.69 0.00 0.00 174.62 174.45 1oj1 s MET 91 N -2.62 0.34 -1.50 0.00 0.00 -0.43 -0.14 119.30 114.95 1oj1 s MET 91 Ca 0.30 1.06 -0.05 0.00 0.00 0.00 0.00 55.69 57.00 1oj1 s MET 91 Cb -0.12 0.36 0.02 0.00 0.00 0.00 0.00 34.83 35.09 1oj1 s MET 91 CO 0.23 -0.26 0.55 1.63 0.00 0.00 0.00 175.02 177.18 1oj1 n LYS 92 N 5.40 -4.45 -2.49 4.11 4.76 -1.26 -1.36 118.16 122.85 1oj1 n LYS 92 Ca -0.09 0.82 -0.17 0.00 -2.87 0.00 0.00 58.31 56.00 1oj1 n LYS 92 Cb 0.49 -5.64 0.00 0.00 -1.84 0.00 0.00 35.03 28.05 1oj1 n LYS 92 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1oj1 n GLU 93 N -3.92 -2.17 -4.01 1.97 1.02 -1.26 -5.00 120.64 107.26 1oj1 n GLU 93 Ca -0.10 0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 57.67 1oj1 n GLU 93 Cb 0.61 -5.27 -0.16 0.00 -0.02 0.00 0.00 31.44 26.59 1oj1 n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1oj1 s LEU 94 N -5.10 1.26 0.25 -4.62 1.02 -0.47 -4.54 118.68 106.49 1oj1 s LEU 94 Ca 0.08 -0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.86 1oj1 s LEU 94 Cb -0.03 -0.29 -0.10 0.00 0.02 0.00 0.00 46.19 45.78 1oj1 s LEU 94 CO 0.09 -0.08 1.47 -2.84 0.02 0.00 0.00 176.35 175.01 1oj1 s PRO 95 N 0.93 4.25 0.00 1.29 0.02 -1.26 -1.32 135.00 138.91 1oj1 s PRO 95 Ca -0.10 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.25 1oj1 s PRO 95 Cb -0.13 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1oj1 s PRO 95 CO -0.01 -0.46 0.03 0.44 -0.33 0.00 0.00 177.00 176.67 1oj1 n ILE 96 N 2.46 0.00 -3.77 2.83 -5.35 -0.16 -3.92 119.36 111.45 1oj1 n ILE 96 Ca 0.08 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1oj1 n ILE 96 Cb 0.40 1.08 -0.11 0.00 -1.74 0.00 0.00 39.64 39.27 1oj1 n ILE 96 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1oj1 s HIS 97 N -0.39 -0.32 -0.61 4.28 3.76 -1.22 -3.98 115.29 116.81 1oj1 s HIS 97 Ca 0.00 0.76 -0.22 0.00 -0.15 0.00 0.00 55.06 55.45 1oj1 s HIS 97 Cb 0.00 0.11 0.07 0.00 1.11 0.00 0.00 32.58 33.87 1oj1 s HIS 97 CO 0.00 -0.18 0.87 0.12 -0.85 0.00 0.00 174.74 174.69 1oj1 s PHE 98 N 0.02 2.80 -0.01 1.40 2.19 -1.26 -1.51 117.98 121.61 1oj1 s PHE 98 Ca -0.01 -0.54 -0.20 0.00 0.33 0.00 0.00 56.93 56.51 1oj1 s PHE 98 Cb -0.02 -4.10 -0.32 0.00 -1.31 0.00 0.00 43.02 37.27 1oj1 s PHE 98 CO 0.01 -1.45 0.96 0.00 1.83 0.00 0.00 175.22 176.56 1oj1 h ALA 99 N 9.38 -0.09 -2.20 11.12 0.00 -0.52 -3.49 119.26 133.45 1oj1 h ALA 99 Ca -0.28 -0.73 0.23 0.00 0.00 0.00 0.00 54.91 54.13 1oj1 h ALA 99 Cb 1.08 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1oj1 h ALA 99 CO 1.12 0.48 0.68 0.20 0.00 0.00 0.00 179.25 181.73 1oj1 s GLY 100 N -4.44 -0.10 -0.05 0.00 0.00 -0.62 -4.72 107.32 97.38 1oj1 s GLY 100 Ca -0.12 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.67 1oj1 s GLY 100 CO 0.87 2.14 -0.20 0.14 0.00 0.00 0.00 173.10 176.05 1oj1 s VAL 101 N -2.40 1.64 0.00 1.40 1.01 -1.26 0.06 120.40 120.85 1oj1 s VAL 101 Ca 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1oj1 s VAL 101 Cb -0.00 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1oj1 s VAL 101 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1oj1 n GLY 102 N 3.09 1.79 3.81 4.51 0.00 -0.51 -4.84 105.19 113.05 1oj1 n GLY 102 Ca -0.18 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 1oj1 n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oj1 s LYS 103 N 0.00 1.55 0.24 1.61 1.02 -1.26 -4.82 119.74 118.08 1oj1 s LYS 103 Ca 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1oj1 s LYS 103 Cb 0.00 0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 37.76 1oj1 s LYS 103 CO 0.00 -0.72 0.43 0.00 -0.92 0.00 0.00 175.35 174.14