#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul3 s LYS 2 N 0.00 0.37 -0.02 0.03 -0.14 -0.16 -2.71 119.74 117.11 1ul3 s LYS 2 Ca 0.00 -0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.15 1ul3 s LYS 2 Cb 0.00 -0.31 -0.05 0.00 -1.68 0.00 0.00 37.83 35.79 1ul3 s LYS 2 CO 0.00 0.08 0.62 0.21 -0.76 0.00 0.00 175.35 175.50 1ul3 s LYS 3 N -0.35 4.35 -0.22 1.68 2.20 0.20 -1.71 119.74 125.89 1ul3 s LYS 3 Ca -0.01 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 1ul3 s LYS 3 Cb -0.03 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1ul3 s LYS 3 CO -0.00 0.30 -0.12 0.08 -0.36 0.00 0.00 175.35 175.25 1ul3 s VAL 4 N 0.03 2.49 -0.27 4.02 1.01 0.12 -1.40 120.40 126.40 1ul3 s VAL 4 Ca 0.32 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1ul3 s VAL 4 Cb -0.18 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.00 1ul3 s VAL 4 CO 0.17 0.30 0.00 -1.61 0.00 0.00 0.00 175.10 173.96 1ul3 s GLU 5 N 1.28 2.98 -0.16 2.72 2.02 -0.00 -1.74 118.70 125.80 1ul3 s GLU 5 Ca 0.01 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 1ul3 s GLU 5 Cb -0.16 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 1ul3 s GLU 5 CO -0.08 -0.41 -0.09 0.00 0.02 0.00 0.00 175.26 174.71 1ul3 s ALA 6 N 1.41 2.75 -0.45 5.21 0.00 -0.20 0.07 121.76 130.55 1ul3 s ALA 6 Ca 0.02 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1ul3 s ALA 6 Cb -0.17 -1.43 0.08 0.00 0.00 0.00 0.00 23.12 21.61 1ul3 s ALA 6 CO -0.01 0.02 0.33 0.42 0.00 0.00 0.00 175.76 176.52 1ul3 s ILE 7 N 0.72 4.66 0.41 0.00 -1.09 -0.42 -0.43 121.20 125.04 1ul3 s ILE 7 Ca -0.04 -1.31 0.07 0.00 -2.23 0.00 0.00 60.65 57.14 1ul3 s ILE 7 Cb -0.15 -3.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 1ul3 s ILE 7 CO 0.02 -0.58 0.01 0.27 -1.23 0.00 0.00 174.94 173.43 1ul3 s ILE 8 N 1.51 2.01 0.30 2.92 -4.36 -0.16 -2.94 121.20 120.49 1ul3 s ILE 8 Ca 0.04 -2.01 -0.29 0.00 -0.26 0.00 0.00 60.65 58.13 1ul3 s ILE 8 Cb -0.24 -2.98 -0.10 0.00 1.25 0.00 0.00 42.46 40.38 1ul3 s ILE 8 CO 0.04 -0.01 1.23 -0.13 0.24 0.00 0.00 174.94 176.31 1ul3 s ARG 9 N -3.71 4.46 0.32 0.37 0.52 -1.26 -0.69 118.95 118.95 1ul3 s ARG 9 Ca 0.35 2.06 0.08 0.00 -0.52 0.00 0.00 55.73 57.70 1ul3 s ARG 9 Cb 0.10 -3.12 0.82 0.00 0.52 0.00 0.00 34.95 33.27 1ul3 s ARG 9 CO 0.18 -0.05 1.76 -1.35 0.02 0.00 0.00 175.30 175.85 1ul3 h PRO 10 N 3.67 0.65 0.00 3.54 0.11 -1.89 -1.05 132.00 137.02 1ul3 h PRO 10 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ul3 h PRO 10 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ul3 h PRO 10 CO 0.67 0.43 0.00 1.97 -0.21 0.00 0.00 178.00 180.85 1ul3 n PHE 11 N -4.81 0.00 1.24 0.65 1.16 -1.26 -2.72 117.46 111.72 1ul3 n PHE 11 Ca 0.25 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.96 1ul3 n PHE 11 Cb 0.66 -0.20 0.32 0.00 -1.61 0.00 0.00 39.48 38.66 1ul3 n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ul3 n LYS 12 N -1.20 1.26 -0.03 3.97 4.76 -0.40 -4.47 118.16 122.05 1ul3 n LYS 12 Ca 0.12 -0.84 -0.08 0.00 -2.87 0.00 0.00 58.31 54.63 1ul3 n LYS 12 Cb 0.13 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 1ul3 n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ul3 h LEU 13 N 2.06 -0.48 -0.00 -0.35 5.85 -1.65 -1.93 115.31 118.81 1ul3 h LEU 13 Ca 0.00 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1ul3 h LEU 13 Cb 0.60 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1ul3 h LEU 13 CO 0.00 -0.19 -0.05 -2.24 -0.34 0.00 0.00 178.44 175.63 1ul3 h ASP 14 N -0.15 -0.13 1.01 1.25 3.04 -1.85 0.23 116.42 119.82 1ul3 h ASP 14 Ca 0.12 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1ul3 h ASP 14 Cb 0.33 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1ul3 h ASP 14 CO -0.29 -0.07 0.00 1.05 -2.04 0.00 0.00 179.24 177.89 1ul3 h GLU 15 N -0.08 0.00 0.12 4.15 4.11 -1.84 -0.10 114.58 120.94 1ul3 h GLU 15 Ca 0.02 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.17 1ul3 h GLU 15 Cb 0.10 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.38 1ul3 h GLU 15 CO -0.05 0.00 -1.17 0.28 0.07 0.00 0.00 179.01 178.14 1ul3 h VAL 16 N 0.00 1.32 -0.48 -1.06 2.07 -0.91 -1.88 116.25 115.31 1ul3 h VAL 16 Ca 0.00 -2.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.07 1ul3 h VAL 16 Cb 0.50 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1ul3 h VAL 16 CO 0.00 0.74 0.28 0.50 0.02 0.00 0.00 177.57 179.11 1ul3 h LYS 17 N 0.17 0.65 -0.40 1.57 1.63 0.12 -0.25 116.57 120.06 1ul3 h LYS 17 Ca -0.18 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.55 1ul3 h LYS 17 Cb 1.86 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.34 1ul3 h LYS 17 CO 0.22 0.49 0.22 0.82 -3.45 0.00 0.00 179.45 177.75 1ul3 h ILE 18 N 0.63 1.16 -0.84 2.00 1.08 -1.07 -0.21 117.51 120.26 1ul3 h ILE 18 Ca 0.17 -0.41 0.02 0.00 -0.39 0.00 0.00 64.86 64.26 1ul3 h ILE 18 Cb 0.01 0.69 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 1ul3 h ILE 18 CO -0.03 0.16 0.55 0.00 -0.69 0.00 0.00 178.15 178.14 1ul3 h ALA 19 N 1.07 1.45 -0.16 1.87 0.00 -0.91 -0.41 119.26 122.17 1ul3 h ALA 19 Ca 0.14 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1ul3 h ALA 19 Cb 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ul3 h ALA 19 CO -0.02 0.48 -0.31 -0.07 0.00 0.00 0.00 179.25 179.32 1ul3 h LEU 20 N 1.07 0.55 0.03 0.00 4.07 -0.64 -2.45 115.31 117.94 1ul3 h LEU 20 Ca 0.32 -0.55 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 1ul3 h LEU 20 Cb -0.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.55 1ul3 h LEU 20 CO -0.09 1.00 -0.01 0.58 -1.08 0.00 0.00 178.44 178.84 1ul3 h VAL 21 N 0.12 1.00 0.00 1.22 2.07 -0.68 -1.28 116.25 118.70 1ul3 h VAL 21 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ul3 h VAL 21 Cb 0.91 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ul3 h VAL 21 CO 0.07 0.02 0.00 0.59 0.02 0.00 0.00 177.57 178.27 1ul3 n ASN 22 N -5.09 0.65 -0.63 0.57 5.03 -0.20 -1.55 115.26 114.04 1ul3 n ASN 22 Ca -0.07 0.71 0.13 0.00 0.87 0.00 0.00 54.58 56.22 1ul3 n ASN 22 Cb 0.05 -0.83 0.39 0.00 -1.02 0.00 0.00 39.78 38.38 1ul3 n ASN 22 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ul3 n ALA 23 N -1.79 2.54 -0.66 5.41 0.00 -0.76 -4.94 120.51 120.31 1ul3 n ALA 23 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1ul3 n ALA 23 Cb 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ul3 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ul3 n GLY 24 N 1.23 0.69 3.64 0.00 0.00 -0.60 -5.03 105.19 105.12 1ul3 n GLY 24 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ul3 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ul3 s ILE 25 N -2.14 4.87 -0.35 -0.61 1.09 -0.56 -5.02 121.20 118.49 1ul3 s ILE 25 Ca 0.00 1.44 -0.08 0.00 -1.10 0.00 0.00 60.65 60.91 1ul3 s ILE 25 Cb 0.00 -4.07 0.03 0.00 -1.06 0.00 0.00 42.46 37.36 1ul3 s ILE 25 CO 0.00 -0.06 0.14 -0.69 -0.10 0.00 0.00 174.94 174.24 1ul3 s VAL 26 N 2.76 4.10 0.00 2.92 1.01 -1.26 -4.22 120.40 125.71 1ul3 s VAL 26 Ca 0.33 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1ul3 s VAL 26 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ul3 s VAL 26 CO 0.08 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1ul3 n GLY 27 N 4.89 1.16 3.36 4.51 0.00 -1.26 -5.07 105.19 112.77 1ul3 n GLY 27 Ca -0.12 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1ul3 n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ul3 s MET 28 N -4.70 1.05 -0.07 1.61 0.00 -1.26 -4.79 119.30 111.15 1ul3 s MET 28 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 55.69 55.30 1ul3 s MET 28 Cb 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 34.83 35.29 1ul3 s MET 28 CO 0.00 -0.40 -0.19 0.99 0.00 0.00 0.00 175.02 175.42 1ul3 s THR 29 N -3.03 2.57 -0.02 3.16 2.01 -0.17 -4.96 115.64 115.20 1ul3 s THR 29 Ca -0.02 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.15 1ul3 s THR 29 Cb 0.00 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1ul3 s THR 29 CO -0.06 0.57 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.58 1ul3 s VAL 30 N -0.28 1.36 0.04 3.82 1.01 -1.26 -0.27 120.40 124.82 1ul3 s VAL 30 Ca 0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1ul3 s VAL 30 Cb -0.13 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ul3 s VAL 30 CO 0.03 0.39 0.10 -0.94 0.00 0.00 0.00 175.10 174.68 1ul3 s SER 31 N -0.24 0.17 -0.04 3.32 1.04 -0.28 -4.97 113.70 112.70 1ul3 s SER 31 Ca 0.03 -0.54 -0.22 0.00 0.48 0.00 0.00 55.95 55.70 1ul3 s SER 31 Cb -0.08 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.23 1ul3 s SER 31 CO 0.00 -0.53 0.63 -1.61 0.98 0.00 0.00 173.24 172.72 1ul3 s GLU 32 N -2.71 4.38 0.17 4.02 2.02 -1.26 -0.05 118.70 125.27 1ul3 s GLU 32 Ca -0.04 0.77 -0.01 0.00 0.02 0.00 0.00 54.97 55.71 1ul3 s GLU 32 Cb -0.01 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1ul3 s GLU 32 CO -0.05 0.21 0.08 0.14 0.02 0.00 0.00 175.26 175.66 1ul3 s VAL 33 N 0.35 0.12 -0.21 2.63 -7.23 -0.58 -4.91 120.40 110.56 1ul3 s VAL 33 Ca 0.33 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.52 1ul3 s VAL 33 Cb -0.18 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 1ul3 s VAL 33 CO 0.17 -0.25 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.49 1ul3 s ARG 34 N -4.08 3.29 -0.33 4.82 0.52 -1.26 -0.77 118.95 121.14 1ul3 s ARG 34 Ca 0.31 -0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 1ul3 s ARG 34 Cb 0.07 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 1ul3 s ARG 34 CO 0.07 -0.20 0.38 0.20 0.02 0.00 0.00 175.30 175.77 1ul3 s GLY 35 N 1.43 1.89 -0.17 -3.53 0.00 -0.44 -4.93 107.32 101.57 1ul3 s GLY 35 Ca 0.05 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 1ul3 s GLY 35 CO -0.05 1.02 0.36 -1.36 0.00 0.00 0.00 173.10 173.07 1ul3 s PHE 36 N 2.08 3.43 0.28 1.90 0.40 -1.26 -2.72 117.98 122.09 1ul3 s PHE 36 Ca 0.13 0.63 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 1ul3 s PHE 36 Cb -0.16 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.86 1ul3 s PHE 36 CO 0.12 0.12 -0.06 -0.59 0.70 0.00 0.00 175.22 175.51 1ul3 s PHE 55 N 0.85 1.97 -0.06 0.36 -0.12 -1.26 -5.23 117.98 114.48 1ul3 s PHE 55 Ca 0.19 -0.70 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1ul3 s PHE 55 Cb -0.14 -1.13 0.02 0.00 -0.63 0.00 0.00 43.02 41.14 1ul3 s PHE 55 CO 0.06 0.28 -0.08 -1.17 -0.05 0.00 0.00 175.22 174.27 1ul3 s LEU 56 N -3.45 1.39 0.22 -1.99 0.20 -1.10 -5.11 118.68 108.84 1ul3 s LEU 56 Ca 0.30 -0.22 -0.31 0.00 0.69 0.00 0.00 54.13 54.59 1ul3 s LEU 56 Cb 0.04 -0.65 -0.11 0.00 -0.43 0.00 0.00 46.19 45.04 1ul3 s LEU 56 CO 0.12 -0.04 1.58 -1.10 -0.29 0.00 0.00 176.35 176.63 1ul3 s GLN 57 N 0.99 4.18 0.20 1.98 -1.52 -1.26 -1.32 119.66 122.91 1ul3 s GLN 57 Ca -0.09 2.46 0.01 0.00 -1.95 0.00 0.00 55.36 55.79 1ul3 s GLN 57 Cb -0.15 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 1ul3 s GLN 57 CO 0.00 -0.61 0.03 0.15 -0.25 0.00 0.00 175.29 174.62 1ul3 s LYS 58 N 0.42 1.19 -0.10 2.91 -0.14 0.05 -4.42 119.74 119.66 1ul3 s LYS 58 Ca 0.67 -1.60 0.04 0.00 -1.36 0.00 0.00 55.97 53.72 1ul3 s LYS 58 Cb -0.46 -0.23 0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1ul3 s LYS 58 CO 0.38 -0.19 -0.23 -0.51 -0.76 0.00 0.00 175.35 174.04 1ul3 s LEU 59 N -3.21 2.05 -0.29 3.17 1.02 0.13 -1.53 118.68 120.02 1ul3 s LEU 59 Ca 0.28 -0.54 -0.11 0.00 0.02 0.00 0.00 54.13 53.78 1ul3 s LEU 59 Cb 0.07 -1.36 -0.04 0.00 0.02 0.00 0.00 46.19 44.88 1ul3 s LEU 59 CO 0.07 0.14 0.20 -0.75 0.02 0.00 0.00 176.35 176.03 1ul3 s LYS 60 N 0.40 3.86 -0.18 1.70 2.20 0.93 -0.98 119.74 127.67 1ul3 s LYS 60 Ca -0.18 -0.38 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1ul3 s LYS 60 Cb -0.18 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1ul3 s LYS 60 CO 0.08 -0.23 -0.01 0.42 -0.36 0.00 0.00 175.35 175.25 1ul3 s ILE 61 N 1.76 4.07 -0.11 5.43 1.01 0.43 -1.13 121.20 132.66 1ul3 s ILE 61 Ca 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1ul3 s ILE 61 Cb -0.16 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1ul3 s ILE 61 CO 0.11 0.46 -0.23 -1.61 0.00 0.00 0.00 174.94 173.67 1ul3 s GLU 62 N 0.62 3.05 -0.00 2.79 2.02 0.63 -1.03 118.70 126.77 1ul3 s GLU 62 Ca -0.01 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.08 1ul3 s GLU 62 Cb -0.14 -2.35 -0.00 0.00 0.10 0.00 0.00 34.13 31.74 1ul3 s GLU 62 CO 0.02 0.13 0.06 0.96 0.02 0.00 0.00 175.26 176.45 1ul3 s ILE 63 N 0.47 0.06 -0.22 -1.63 -4.36 -0.71 -1.00 121.20 113.81 1ul3 s ILE 63 Ca -0.15 -0.51 0.02 0.00 -0.26 0.00 0.00 60.65 59.74 1ul3 s ILE 63 Cb -0.17 -0.26 0.04 0.00 1.25 0.00 0.00 42.46 43.32 1ul3 s ILE 63 CO 0.06 -0.28 -0.13 -0.69 0.24 0.00 0.00 174.94 174.14 1ul3 s VAL 64 N -0.90 1.93 0.29 8.37 1.01 -1.26 0.11 120.40 129.95 1ul3 s VAL 64 Ca -0.10 -1.23 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1ul3 s VAL 64 Cb -0.06 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.30 1ul3 s VAL 64 CO 0.00 0.18 -0.07 0.68 0.00 0.00 0.00 175.10 175.89 1ul3 s VAL 65 N 1.26 1.76 0.68 2.92 -7.23 -0.69 -4.93 120.40 114.16 1ul3 s VAL 65 Ca -0.03 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 57.86 1ul3 s VAL 65 Cb -0.17 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.29 1ul3 s VAL 65 CO -0.08 -0.28 1.10 -1.81 -0.31 0.00 0.00 175.10 173.72 1ul3 s ASP 66 N -3.48 5.04 0.30 4.85 1.11 -1.26 -0.99 116.67 122.24 1ul3 s ASP 66 Ca 0.30 1.96 0.05 0.00 0.18 0.00 0.00 52.55 55.04 1ul3 s ASP 66 Cb 0.03 -2.54 0.73 0.00 1.07 0.00 0.00 42.92 42.21 1ul3 s ASP 66 CO 0.13 -1.68 1.74 -0.33 1.18 0.00 0.00 175.17 176.21 1ul3 h GLU 67 N -0.16 0.57 -0.65 8.23 4.39 -1.96 -2.42 114.58 122.58 1ul3 h GLU 67 Ca -0.46 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 1ul3 h GLU 67 Cb 1.24 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.73 1ul3 h GLU 67 CO 0.54 0.38 0.27 0.78 -1.16 0.00 0.00 179.01 179.82 1ul3 h GLY 68 N 0.59 1.01 -0.93 -3.84 0.00 -2.03 -3.14 103.07 94.72 1ul3 h GLY 68 Ca 0.57 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1ul3 h GLY 68 CO -0.44 0.48 -0.05 0.61 0.00 0.00 0.00 176.54 177.14 1ul3 n GLN 69 N -4.32 1.79 0.24 4.80 10.64 -0.93 -4.51 117.38 125.09 1ul3 n GLN 69 Ca 0.06 -1.25 -0.16 0.00 -1.83 0.00 0.00 57.00 53.81 1ul3 n GLN 69 Cb 0.16 -1.47 -0.08 0.00 -0.86 0.00 0.00 30.24 27.99 1ul3 n GLN 69 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1ul3 h VAL 70 N 3.06 0.25 -0.93 -0.39 2.07 -1.47 0.58 116.25 119.43 1ul3 h VAL 70 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1ul3 h VAL 70 Cb 0.69 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1ul3 h VAL 70 CO 0.00 0.00 0.58 0.44 0.02 0.00 0.00 177.57 178.61 1ul3 h ASP 71 N -0.76 0.88 -0.06 0.57 3.32 -1.80 -0.93 116.42 117.64 1ul3 h ASP 71 Ca -0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ul3 h ASP 71 Cb 0.68 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1ul3 h ASP 71 CO -0.05 0.53 0.01 -0.03 -1.72 0.00 0.00 179.24 177.98 1ul3 h MET 72 N 1.00 0.10 -0.32 3.56 4.05 -1.75 -2.35 114.93 119.22 1ul3 h MET 72 Ca 0.42 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1ul3 h MET 72 Cb 0.28 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1ul3 h MET 72 CO -0.21 0.33 0.21 0.28 0.23 0.00 0.00 176.91 177.74 1ul3 h VAL 73 N -0.14 1.07 -0.39 -5.77 2.07 -0.48 -1.02 116.25 111.59 1ul3 h VAL 73 Ca 0.02 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ul3 h VAL 73 Cb 0.28 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1ul3 h VAL 73 CO 0.00 0.08 0.16 0.58 0.02 0.00 0.00 177.57 178.41 1ul3 h VAL 74 N 0.42 0.92 -0.86 2.57 2.07 -1.18 0.31 116.25 120.50 1ul3 h VAL 74 Ca 0.12 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ul3 h VAL 74 Cb -0.04 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1ul3 h VAL 74 CO -0.03 0.06 0.47 0.44 0.02 0.00 0.00 177.57 178.53 1ul3 h ASP 75 N 0.33 1.07 -0.45 0.57 3.32 -1.14 0.20 116.42 120.33 1ul3 h ASP 75 Ca 0.17 -0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 1ul3 h ASP 75 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ul3 h ASP 75 CO -0.15 0.86 -0.22 0.11 -1.72 0.00 0.00 179.24 178.12 1ul3 h LYS 76 N 1.21 0.94 -0.49 3.56 6.56 -0.55 -1.86 116.57 125.93 1ul3 h LYS 76 Ca 0.30 -0.41 -0.04 0.00 -1.06 0.00 0.00 60.65 59.44 1ul3 h LYS 76 Cb 0.02 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 1ul3 h LYS 76 CO -0.05 1.08 0.14 -0.07 -2.06 0.00 0.00 179.45 178.49 1ul3 h LEU 77 N 0.78 0.72 -0.24 2.94 3.38 0.24 -1.03 115.31 122.09 1ul3 h LEU 77 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ul3 h LEU 77 Cb 0.80 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1ul3 h LEU 77 CO 0.07 0.74 0.10 0.58 0.09 0.00 0.00 178.44 180.02 1ul3 h VAL 78 N 0.66 1.16 -0.36 1.22 2.07 -0.55 0.77 116.25 121.22 1ul3 h VAL 78 Ca 0.16 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1ul3 h VAL 78 Cb 0.29 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ul3 h VAL 78 CO -0.00 0.16 0.23 0.28 0.02 0.00 0.00 177.57 178.26 1ul3 h SER 79 N 0.25 0.40 -0.28 0.57 0.02 -1.22 -0.02 113.55 113.27 1ul3 h SER 79 Ca 0.08 -0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.86 1ul3 h SER 79 Cb 0.16 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1ul3 h SER 79 CO -0.01 0.29 -0.45 0.00 -1.14 0.00 0.00 176.83 175.52 1ul3 h ALA 80 N 1.13 0.43 0.00 3.77 0.00 -1.11 -3.27 119.26 120.21 1ul3 h ALA 80 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ul3 h ALA 80 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ul3 h ALA 80 CO -0.03 0.57 -0.22 0.00 0.00 0.00 0.00 179.25 179.56 1ul3 h ALA 81 N 0.67 0.87 -2.85 0.00 0.00 -0.78 -3.43 119.26 113.75 1ul3 h ALA 81 Ca 0.02 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.42 1ul3 h ALA 81 Cb 1.05 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ul3 h ALA 81 CO 0.10 0.00 0.58 0.50 0.00 0.00 0.00 179.25 180.43 1ul3 s ARG 82 N -3.18 4.41 0.00 0.00 3.52 -0.03 -4.81 118.95 118.86 1ul3 s ARG 82 Ca 0.07 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 1ul3 s ARG 82 Cb 0.10 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1ul3 s ARG 82 CO 0.66 -0.09 0.00 0.25 -0.81 0.00 0.00 175.30 175.31 1ul3 n THR 83 N 0.84 0.00 0.00 4.11 -2.24 -1.26 -5.01 114.28 110.72 1ul3 n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ul3 n THR 83 Cb 0.43 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1ul3 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ul3 n GLY 84 N 2.69 2.01 3.94 3.38 0.00 -1.26 -5.10 105.19 110.86 1ul3 n GLY 84 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1ul3 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ul3 s GLU 85 N -0.15 2.94 0.11 1.61 8.01 -1.26 -5.04 118.70 124.91 1ul3 s GLU 85 Ca 0.00 -0.38 -0.31 0.00 0.01 0.00 0.00 54.97 54.29 1ul3 s GLU 85 Cb 0.00 -2.46 -0.08 0.00 -4.31 0.00 0.00 34.13 27.28 1ul3 s GLU 85 CO 0.00 -0.47 1.45 0.42 0.01 0.00 0.00 175.26 176.67 1ul3 s ILE 86 N -2.72 3.19 0.00 -1.63 1.01 -1.26 -3.55 121.20 116.23 1ul3 s ILE 86 Ca 0.51 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.98 1ul3 s ILE 86 Cb -0.10 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1ul3 s ILE 86 CO 0.40 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1ul3 n GLY 87 N 3.61 1.56 0.20 6.18 0.00 -1.26 -5.01 105.19 110.47 1ul3 n GLY 87 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 1ul3 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ul3 h ASP 88 N 0.00 0.00 -4.76 1.61 5.19 -1.94 -3.44 116.42 113.08 1ul3 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ul3 h ASP 88 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ul3 h ASP 88 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1ul3 n GLY 89 N -0.05 -1.76 3.16 2.75 0.00 -1.26 -4.44 105.19 103.59 1ul3 n GLY 89 Ca 0.01 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1ul3 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ul3 s LYS 90 N 0.00 0.70 -0.16 1.61 1.02 -1.15 -4.98 119.74 116.78 1ul3 s LYS 90 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1ul3 s LYS 90 Cb 0.00 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1ul3 s LYS 90 CO 0.00 -0.20 -0.15 0.42 -0.92 0.00 0.00 175.35 174.51 1ul3 s ILE 91 N -3.06 2.71 -0.15 2.17 1.01 -1.26 -1.31 121.20 121.31 1ul3 s ILE 91 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1ul3 s ILE 91 Cb 0.01 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1ul3 s ILE 91 CO -0.07 0.51 -0.00 -0.36 0.00 0.00 0.00 174.94 175.02 1ul3 s PHE 92 N 0.83 3.11 -0.19 3.97 0.08 0.11 -4.94 117.98 120.96 1ul3 s PHE 92 Ca -0.05 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 1ul3 s PHE 92 Cb -0.15 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1ul3 s PHE 92 CO -0.00 0.10 -0.07 0.42 -0.10 0.00 0.00 175.22 175.56 1ul3 s ILE 93 N 0.17 3.27 0.08 0.64 1.01 -1.26 -0.82 121.20 124.28 1ul3 s ILE 93 Ca 0.01 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.13 1ul3 s ILE 93 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1ul3 s ILE 93 CO 0.02 0.46 -0.07 -0.94 0.00 0.00 0.00 174.94 174.41 1ul3 s SER 94 N 1.06 1.01 0.35 3.58 1.04 -0.49 -4.96 113.70 115.29 1ul3 s SER 94 Ca 0.00 -0.85 -0.27 0.00 0.48 0.00 0.00 55.95 55.32 1ul3 s SER 94 Cb -0.15 0.08 -0.09 0.00 0.10 0.00 0.00 66.02 65.96 1ul3 s SER 94 CO -0.01 -0.38 1.13 -2.16 0.98 0.00 0.00 173.24 172.81 1ul3 s PRO 95 N -3.05 4.31 -0.07 4.02 0.04 -1.26 0.59 135.00 139.58 1ul3 s PRO 95 Ca 0.04 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1ul3 s PRO 95 Cb 0.00 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.69 1ul3 s PRO 95 CO -0.03 -0.08 -0.03 0.08 0.04 0.00 0.00 177.00 176.97 1ul3 s VAL 96 N -1.34 0.57 -0.07 -0.36 1.01 -1.10 -4.71 120.40 114.39 1ul3 s VAL 96 Ca 0.52 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 1ul3 s VAL 96 Cb -0.30 -0.64 -0.24 0.00 0.00 0.00 0.00 36.38 35.20 1ul3 s VAL 96 CO 0.39 0.26 1.00 0.44 0.00 0.00 0.00 175.10 177.19 1ul3 h ASP 97 N 7.76 0.15 -5.24 3.32 3.32 -1.86 -3.38 116.42 120.49 1ul3 h ASP 97 Ca -0.29 -0.80 -0.11 0.00 0.02 0.00 0.00 57.03 55.85 1ul3 h ASP 97 Cb 1.14 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 1ul3 h ASP 97 CO 0.38 0.93 -0.49 -0.44 -1.72 0.00 0.00 179.24 177.90 1ul3 s SER 98 N -6.24 0.23 -0.04 6.45 0.01 -1.26 -2.16 113.70 110.69 1ul3 s SER 98 Ca -0.16 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.24 1ul3 s SER 98 Cb 0.00 0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.56 1ul3 s SER 98 CO 0.72 -0.72 -0.08 -0.69 0.41 0.00 0.00 173.24 172.88 1ul3 s VAL 99 N -3.92 0.81 -0.12 3.43 1.01 -0.06 -4.99 120.40 116.56 1ul3 s VAL 99 Ca 0.11 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1ul3 s VAL 99 Cb 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.69 1ul3 s VAL 99 CO -0.07 0.27 -0.21 -0.69 0.00 0.00 0.00 175.10 174.40 1ul3 s VAL 100 N 0.58 2.23 -0.38 2.92 1.01 -1.26 -0.17 120.40 125.32 1ul3 s VAL 100 Ca -0.10 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 1ul3 s VAL 100 Cb -0.13 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ul3 s VAL 100 CO 0.01 0.55 0.79 -0.60 0.00 0.00 0.00 175.10 175.85 1ul3 s ARG 101 N 0.58 3.68 0.18 2.72 3.52 0.66 -4.95 118.95 125.33 1ul3 s ARG 101 Ca -0.12 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.58 1ul3 s ARG 101 Cb -0.17 -3.84 0.15 0.00 -1.56 0.00 0.00 34.95 29.53 1ul3 s ARG 101 CO 0.04 -0.92 1.75 0.82 -0.81 0.00 0.00 175.30 176.17 1ul3 h ILE 102 N 5.81 0.84 -0.82 4.11 2.04 -1.94 0.40 117.51 127.94 1ul3 h ILE 102 Ca -0.25 -0.11 0.15 0.00 1.00 0.00 0.00 64.86 65.65 1ul3 h ILE 102 Cb 1.09 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 1ul3 h ILE 102 CO 0.93 0.06 0.38 -0.09 0.00 0.00 0.00 178.15 179.43 1ul3 h ARG 103 N 0.32 0.53 0.00 2.37 2.43 -1.98 -3.09 114.38 114.95 1ul3 h ARG 103 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1ul3 h ARG 103 Cb 0.23 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ul3 h ARG 103 CO -0.23 0.35 -1.32 0.25 -1.51 0.00 0.00 179.97 177.50 1ul3 n THR 104 N -4.93 0.00 -0.91 0.20 -2.24 -1.15 -4.98 114.28 100.27 1ul3 n THR 104 Ca 0.16 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ul3 n THR 104 Cb 0.44 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1ul3 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ul3 n GLY 105 N 1.57 0.70 3.67 3.38 0.00 0.14 -4.99 105.19 109.66 1ul3 n GLY 105 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1ul3 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ul3 s GLU 106 N -0.09 4.18 -0.24 1.61 2.02 -1.14 -4.77 118.70 120.26 1ul3 s GLU 106 Ca 0.00 2.33 -0.05 0.00 0.02 0.00 0.00 54.97 57.27 1ul3 s GLU 106 Cb 0.00 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.29 1ul3 s GLU 106 CO 0.00 -0.84 0.00 0.21 0.02 0.00 0.00 175.26 174.65 1ul3 s LYS 107 N 3.79 3.33 -0.25 1.61 2.20 -1.26 -0.25 119.74 128.91 1ul3 s LYS 107 Ca 0.77 -0.67 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 1ul3 s LYS 107 Cb -0.37 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.78 1ul3 s LYS 107 CO 0.33 -0.26 0.07 -0.51 -0.36 0.00 0.00 175.35 174.62 1ul3 s ASP 108 N 1.50 5.18 -0.12 1.43 1.11 0.75 -4.97 116.67 121.56 1ul3 s ASP 108 Ca 0.05 -0.19 0.02 0.00 0.18 0.00 0.00 52.55 52.61 1ul3 s ASP 108 Cb -0.15 -1.93 -0.00 0.00 1.07 0.00 0.00 42.92 41.90 1ul3 s ASP 108 CO -0.01 -0.03 -0.20 -0.89 1.18 0.00 0.00 175.17 175.23 1ul3 s THR 109 N 1.57 2.41 -0.14 -1.27 2.01 -1.26 -0.88 115.64 118.07 1ul3 s THR 109 Ca 0.06 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1ul3 s THR 109 Cb -0.15 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.40 1ul3 s THR 109 CO 0.04 0.55 -0.19 -1.61 -0.69 0.00 0.00 174.62 172.72 1ul3 s GLU 110 N 0.40 3.13 0.08 4.92 2.02 -0.92 -5.03 118.70 123.30 1ul3 s GLU 110 Ca -0.15 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.08 1ul3 s GLU 110 Cb -0.17 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1ul3 s GLU 110 CO 0.07 0.03 -0.12 0.00 0.02 0.00 0.00 175.26 175.25 1ul3 s ALA 111 N 0.75 1.11 -2.01 5.21 0.00 -1.26 -4.58 121.76 120.97 1ul3 s ALA 111 Ca -0.08 -1.04 0.32 0.00 0.00 0.00 0.00 51.96 51.17 1ul3 s ALA 111 Cb -0.16 -0.05 1.89 0.00 0.00 0.00 0.00 23.12 24.81 1ul3 s ALA 111 CO 0.00 0.09 2.22 0.44 0.00 0.00 0.00 175.76 178.51