#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 1.25 -0.14 2.12 -0.14 -0.16 -1.92 119.74 120.74 1ul3 s LYS 2 Ca 0.00 -0.88 -0.20 0.00 -1.36 0.00 0.00 55.97 53.53 1ul3 s LYS 2 Cb 0.00 -1.33 -0.04 0.00 -1.68 0.00 0.00 37.83 34.79 1ul3 s LYS 2 CO 0.00 0.34 0.57 0.21 -0.76 0.00 0.00 175.35 175.70 1ul3 s LYS 3 N -1.15 4.31 -0.25 1.68 2.47 0.17 -1.58 119.74 125.38 1ul3 s LYS 3 Ca 0.06 0.58 -0.01 0.00 -1.56 0.00 0.00 55.97 55.03 1ul3 s LYS 3 Cb -0.08 -3.49 0.03 0.00 -1.46 0.00 0.00 37.83 32.83 1ul3 s LYS 3 CO 0.02 0.01 -0.06 0.08 0.16 0.00 0.00 175.35 175.55 1ul3 s VAL 4 N 1.09 2.79 -0.29 4.02 1.01 0.44 -1.19 120.40 128.27 1ul3 s VAL 4 Ca 0.29 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1ul3 s VAL 4 Cb -0.16 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.81 1ul3 s VAL 4 CO 0.12 0.16 0.02 -0.70 0.00 0.00 0.00 175.10 174.69 1ul3 s GLU 5 N 1.30 2.67 -0.19 2.72 2.12 0.12 -1.56 118.70 125.89 1ul3 s GLU 5 Ca -0.01 -1.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.17 1ul3 s GLU 5 Cb -0.17 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 1ul3 s GLU 5 CO -0.04 -0.54 -0.03 0.00 -0.54 0.00 0.00 175.26 174.10 1ul3 s ALA 6 N 1.34 2.94 -0.38 6.30 0.00 0.36 -0.06 121.76 132.26 1ul3 s ALA 6 Ca -0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 1ul3 s ALA 6 Cb -0.18 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.32 1ul3 s ALA 6 CO -0.01 -0.08 0.21 0.42 0.00 0.00 0.00 175.76 176.30 1ul3 s ILE 7 N 0.88 4.45 0.27 0.00 -1.09 0.96 -0.10 121.20 126.57 1ul3 s ILE 7 Ca -0.00 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.51 1ul3 s ILE 7 Cb -0.14 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 1ul3 s ILE 7 CO 0.02 -0.28 -0.05 0.27 -1.23 0.00 0.00 174.94 173.66 1ul3 s ILE 8 N 1.52 1.58 0.32 2.92 -4.36 -0.18 -2.33 121.20 120.67 1ul3 s ILE 8 Ca 0.02 -2.12 -0.29 0.00 -0.26 0.00 0.00 60.65 58.00 1ul3 s ILE 8 Cb -0.20 -2.43 -0.10 0.00 1.25 0.00 0.00 42.46 40.97 1ul3 s ILE 8 CO 0.06 -0.31 1.38 -0.13 0.24 0.00 0.00 174.94 176.19 1ul3 s ARG 9 N -3.74 4.28 0.27 0.37 0.52 -1.26 -0.63 118.95 118.76 1ul3 s ARG 9 Ca 0.29 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 1ul3 s ARG 9 Cb 0.04 -3.06 0.57 0.00 0.52 0.00 0.00 34.95 33.02 1ul3 s ARG 9 CO 0.11 -0.33 1.75 -1.35 0.02 0.00 0.00 175.30 175.51 1ul3 h PRO 10 N 3.79 0.59 0.00 3.54 0.11 -1.88 -1.18 132.00 136.96 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 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ul3 h PRO 10 CO 0.69 0.39 0.00 1.97 -0.21 0.00 0.00 178.00 180.84 1ul3 n PHE 11 N -4.89 0.00 1.20 0.65 1.16 -1.26 -2.30 117.46 112.03 1ul3 n PHE 11 Ca 0.18 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.89 1ul3 n PHE 11 Cb 0.47 -0.12 0.27 0.00 -1.61 0.00 0.00 39.48 38.50 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 -1.12 1.34 0.07 3.97 4.76 -0.44 -4.53 118.16 122.21 1ul3 n LYS 12 Ca 0.09 -0.94 -0.12 0.00 -2.87 0.00 0.00 58.31 54.47 1ul3 n LYS 12 Cb 0.08 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.73 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 2.29 -1.01 -0.59 -0.35 6.46 -1.60 -1.25 115.31 119.25 1ul3 h LEU 13 Ca 0.00 0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.95 1ul3 h LEU 13 Cb 0.64 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.91 1ul3 h LEU 13 CO 0.00 -0.40 0.29 -2.24 -0.62 0.00 0.00 178.44 175.46 1ul3 h ASP 14 N -0.51 0.38 -0.21 1.25 3.04 -1.85 0.25 116.42 118.78 1ul3 h ASP 14 Ca 0.05 0.05 -0.05 0.00 -3.24 0.00 0.00 57.03 53.84 1ul3 h ASP 14 Cb 0.58 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.83 1ul3 h ASP 14 CO -0.26 0.25 -0.02 -0.08 -2.04 0.00 0.00 179.24 177.09 1ul3 h GLU 15 N 0.53 0.50 -0.03 4.15 4.81 -1.79 -0.79 114.58 121.97 1ul3 h GLU 15 Ca 0.28 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.21 1ul3 h GLU 15 Cb 0.23 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1ul3 h GLU 15 CO -0.21 0.54 -0.73 0.28 -0.73 0.00 0.00 179.01 178.16 1ul3 h VAL 16 N 0.48 1.36 -0.44 0.32 2.07 -0.63 -2.14 116.25 117.27 1ul3 h VAL 16 Ca 0.10 -2.08 0.03 0.00 0.82 0.00 0.00 66.70 65.58 1ul3 h VAL 16 Cb 0.34 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1ul3 h VAL 16 CO 0.01 0.62 0.23 0.50 0.02 0.00 0.00 177.57 178.96 1ul3 h LYS 17 N 0.13 0.45 -0.40 1.57 3.64 -0.16 0.32 116.57 122.12 1ul3 h LYS 17 Ca -0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1ul3 h LYS 17 Cb 1.41 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1ul3 h LYS 17 CO 0.15 0.30 0.19 0.82 -2.27 0.00 0.00 179.45 178.63 1ul3 h ILE 18 N 0.47 1.18 -0.32 2.00 2.04 -1.19 -0.09 117.51 121.60 1ul3 h ILE 18 Ca 0.19 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.57 1ul3 h ILE 18 Cb 0.08 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1ul3 h ILE 18 CO -0.12 0.19 0.11 0.00 0.00 0.00 0.00 178.15 178.33 1ul3 h ALA 19 N 1.04 0.37 -0.55 1.87 0.00 -0.73 -2.27 119.26 118.99 1ul3 h ALA 19 Ca 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ul3 h ALA 19 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ul3 h ALA 19 CO -0.02 -0.28 0.01 -0.07 0.00 0.00 0.00 179.25 178.89 1ul3 h LEU 20 N 0.25 0.94 0.76 0.00 3.38 -0.70 -2.74 115.31 117.19 1ul3 h LEU 20 Ca 0.14 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1ul3 h LEU 20 Cb 0.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ul3 h LEU 20 CO -0.15 1.01 -0.50 0.58 0.09 0.00 0.00 178.44 179.47 1ul3 h VAL 21 N 0.84 0.00 0.00 1.22 2.07 -0.64 -0.68 116.25 119.05 1ul3 h VAL 21 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1ul3 h VAL 21 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ul3 h VAL 21 CO 0.03 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.21 1ul3 n ASN 22 N -5.61 0.00 -0.92 0.57 3.02 -0.89 -1.22 115.26 110.22 1ul3 n ASN 22 Ca -0.14 -0.68 0.11 0.00 -0.03 0.00 0.00 54.58 53.84 1ul3 n ASN 22 Cb 0.50 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.78 1ul3 n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ul3 n ALA 23 N -0.82 2.46 -0.87 5.41 0.00 -0.72 -4.95 120.51 121.02 1ul3 n ALA 23 Ca 0.08 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.80 1ul3 n ALA 23 Cb 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.28 0.50 3.62 0.00 0.00 -0.36 -5.02 105.19 105.21 1ul3 n GLY 24 Ca 0.14 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 5.03 -0.25 -0.61 -1.09 -0.34 -5.04 121.20 116.90 1ul3 s ILE 25 Ca 0.00 0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 59.36 1ul3 s ILE 25 Cb 0.00 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1ul3 s ILE 25 CO 0.00 0.05 -0.02 0.68 -1.23 0.00 0.00 174.94 174.41 1ul3 s VAL 26 N 2.41 3.32 0.00 2.92 -7.23 -1.26 -4.24 120.40 116.31 1ul3 s VAL 26 Ca 0.23 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 1ul3 s VAL 26 Cb -0.16 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1ul3 s VAL 26 CO 0.09 0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.77 1ul3 n GLY 27 N 4.77 -0.02 3.48 2.32 0.00 -1.26 -5.04 105.19 109.44 1ul3 n GLY 27 Ca -0.17 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 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 -4.92 1.08 -0.05 1.61 0.00 -1.26 -4.81 119.30 110.94 1ul3 s MET 28 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 55.69 55.59 1ul3 s MET 28 Cb 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 34.83 35.32 1ul3 s MET 28 CO 0.00 -0.42 -0.24 0.95 0.00 0.00 0.00 175.02 175.31 1ul3 s THR 29 N -2.60 2.21 -0.03 3.16 -4.23 -0.60 -4.97 115.64 108.58 1ul3 s THR 29 Ca -0.03 -1.02 0.05 0.00 -1.18 0.00 0.00 61.69 59.52 1ul3 s THR 29 Cb -0.01 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 1ul3 s THR 29 CO -0.04 0.57 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.74 1ul3 s VAL 30 N -0.29 1.50 0.05 2.29 1.01 -1.26 -0.81 120.40 122.89 1ul3 s VAL 30 Ca 0.01 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.16 1ul3 s VAL 30 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1ul3 s VAL 30 CO 0.02 0.43 0.08 -0.94 0.00 0.00 0.00 175.10 174.69 1ul3 s SER 31 N -0.20 0.24 -0.00 3.32 1.04 -0.30 -4.96 113.70 112.84 1ul3 s SER 31 Ca 0.01 -0.66 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 1ul3 s SER 31 Cb -0.10 0.23 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 1ul3 s SER 31 CO 0.01 -0.56 0.66 -1.61 0.98 0.00 0.00 173.24 172.72 1ul3 s GLU 32 N -3.07 4.39 0.25 4.02 2.02 -1.26 0.25 118.70 125.30 1ul3 s GLU 32 Ca -0.01 0.84 -0.00 0.00 0.02 0.00 0.00 54.97 55.82 1ul3 s GLU 32 Cb 0.02 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1ul3 s GLU 32 CO -0.07 0.29 0.24 0.14 0.02 0.00 0.00 175.26 175.88 1ul3 s VAL 33 N 0.04 0.00 -0.12 2.63 -7.23 -0.69 -4.89 120.40 110.15 1ul3 s VAL 33 Ca 0.34 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1ul3 s VAL 33 Cb -0.19 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1ul3 s VAL 33 CO 0.19 0.00 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.62 1ul3 s ARG 34 N -3.84 3.07 -0.29 4.82 0.52 -1.26 -0.95 118.95 121.01 1ul3 s ARG 34 Ca 0.37 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.62 1ul3 s ARG 34 Cb 0.04 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1ul3 s ARG 34 CO 0.17 0.12 0.16 0.20 0.02 0.00 0.00 175.30 175.96 1ul3 s GLY 35 N 0.50 1.88 0.02 -3.53 0.00 0.25 -4.89 107.32 101.54 1ul3 s GLY 35 Ca -0.14 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 43.25 1ul3 s GLY 35 CO 0.05 0.65 0.33 -1.36 0.00 0.00 0.00 173.10 172.78 1ul3 s PHE 36 N 1.68 3.62 0.00 1.90 0.40 -1.26 -2.12 117.98 122.20 1ul3 s PHE 36 Ca 0.06 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1ul3 s PHE 36 Cb -0.16 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.25 1ul3 s PHE 36 CO 0.08 0.60 0.00 -0.85 0.70 0.00 0.00 175.22 175.75 1ul3 n GLU 54 N 1.30 2.16 -1.87 0.44 0.00 -1.26 -4.92 120.64 116.48 1ul3 n GLU 54 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.63 1ul3 n GLU 54 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.95 1ul3 n GLU 54 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1ul3 s PHE 55 N 0.00 2.81 -0.11 -1.84 5.36 -1.26 -5.03 117.98 117.91 1ul3 s PHE 55 Ca 0.00 0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 56.90 1ul3 s PHE 55 Cb 0.00 -3.96 0.05 0.00 -0.34 0.00 0.00 43.02 38.77 1ul3 s PHE 55 CO 0.00 -3.07 0.25 -1.17 -1.46 0.00 0.00 175.22 169.77 1ul3 s LEU 56 N -0.92 0.22 0.19 6.12 2.96 -0.90 -4.97 118.68 121.38 1ul3 s LEU 56 Ca 0.59 0.54 -0.31 0.00 -0.22 0.00 0.00 54.13 54.73 1ul3 s LEU 56 Cb -0.45 0.72 -0.10 0.00 0.50 0.00 0.00 46.19 46.86 1ul3 s LEU 56 CO 0.50 -0.19 1.52 -1.10 -1.32 0.00 0.00 176.35 175.77 1ul3 s GLN 57 N 1.57 4.23 0.25 1.98 -1.52 -1.26 -0.58 119.66 124.32 1ul3 s GLN 57 Ca -0.06 2.33 0.01 0.00 -1.95 0.00 0.00 55.36 55.69 1ul3 s GLN 57 Cb -0.11 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.50 1ul3 s GLN 57 CO -0.09 -0.54 0.15 0.15 -0.25 0.00 0.00 175.29 174.71 1ul3 s LYS 58 N 0.66 1.39 -0.05 2.91 -0.14 -0.13 -4.36 119.74 120.02 1ul3 s LYS 58 Ca 0.66 -1.76 0.06 0.00 -1.36 0.00 0.00 55.97 53.57 1ul3 s LYS 58 Cb -0.43 0.09 -0.01 0.00 -1.68 0.00 0.00 37.83 35.80 1ul3 s LYS 58 CO 0.35 -0.41 -0.22 -0.51 -0.76 0.00 0.00 175.35 173.79 1ul3 s LEU 59 N -3.26 2.02 -0.29 3.17 1.43 0.20 -1.70 118.68 120.25 1ul3 s LEU 59 Ca 0.38 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.92 1ul3 s LEU 59 Cb 0.06 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1ul3 s LEU 59 CO 0.15 0.22 0.17 -0.75 0.23 0.00 0.00 176.35 176.37 1ul3 s LYS 60 N -0.12 3.72 -0.20 1.70 2.20 0.14 -1.01 119.74 126.17 1ul3 s LYS 60 Ca -0.03 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 1ul3 s LYS 60 Cb -0.13 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 1ul3 s LYS 60 CO 0.03 -0.26 -0.02 0.42 -0.36 0.00 0.00 175.35 175.16 1ul3 s ILE 61 N 1.70 3.77 -0.12 5.43 1.01 0.85 -1.15 121.20 132.70 1ul3 s ILE 61 Ca 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1ul3 s ILE 61 Cb -0.16 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 1ul3 s ILE 61 CO 0.09 0.44 -0.17 -1.61 0.00 0.00 0.00 174.94 173.68 1ul3 s GLU 62 N 1.03 3.23 0.02 2.79 2.02 0.01 -0.49 118.70 127.31 1ul3 s GLU 62 Ca 0.01 -0.76 -0.03 0.00 0.02 0.00 0.00 54.97 54.21 1ul3 s GLU 62 Cb -0.14 -2.50 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 1ul3 s GLU 62 CO 0.01 0.22 0.05 0.96 0.02 0.00 0.00 175.26 176.51 1ul3 s ILE 63 N 0.31 0.11 -0.19 -1.63 -4.36 -0.60 -1.55 121.20 113.28 1ul3 s ILE 63 Ca -0.13 -0.89 0.01 0.00 -0.26 0.00 0.00 60.65 59.38 1ul3 s ILE 63 Cb -0.16 -0.45 0.04 0.00 1.25 0.00 0.00 42.46 43.13 1ul3 s ILE 63 CO 0.07 -0.49 -0.12 -0.69 0.24 0.00 0.00 174.94 173.95 1ul3 s VAL 64 N -1.67 1.69 0.35 8.37 1.01 -1.26 -0.42 120.40 128.48 1ul3 s VAL 64 Ca -0.13 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 60.95 1ul3 s VAL 64 Cb -0.07 -1.72 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1ul3 s VAL 64 CO -0.01 0.24 -0.04 0.68 0.00 0.00 0.00 175.10 175.97 1ul3 s VAL 65 N 1.39 1.95 0.54 2.92 -7.23 -0.61 -4.96 120.40 114.39 1ul3 s VAL 65 Ca -0.00 -2.10 -0.18 0.00 -1.81 0.00 0.00 61.98 57.88 1ul3 s VAL 65 Cb -0.16 -2.75 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 1ul3 s VAL 65 CO -0.09 -0.13 1.06 -1.81 -0.31 0.00 0.00 175.10 173.83 1ul3 s ASP 66 N -3.60 5.99 0.27 4.85 1.01 -1.26 -0.99 116.67 122.93 1ul3 s ASP 66 Ca 0.33 1.93 0.00 0.00 0.71 0.00 0.00 52.55 55.53 1ul3 s ASP 66 Cb 0.06 -2.55 0.62 0.00 1.01 0.00 0.00 42.92 42.05 1ul3 s ASP 66 CO 0.16 -1.03 1.70 -0.33 0.21 0.00 0.00 175.17 175.89 1ul3 h GLU 67 N 1.03 0.38 0.00 8.23 5.08 -1.95 0.80 114.58 128.16 1ul3 h GLU 67 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1ul3 h GLU 67 Cb 1.23 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ul3 h GLU 67 CO 0.58 0.25 0.00 0.41 -1.00 0.00 0.00 179.01 179.25 1ul3 n GLY 68 N -1.34 -0.80 0.01 -3.84 0.00 -1.26 -2.79 105.19 95.17 1ul3 n GLY 68 Ca 0.19 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.20 1ul3 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ul3 n GLN 69 N -1.27 0.54 -0.02 1.61 6.02 0.25 -4.74 117.38 119.77 1ul3 n GLN 69 Ca 0.08 -0.14 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1ul3 n GLN 69 Cb 0.12 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 1ul3 n GLN 69 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ul3 h VAL 70 N 0.00 0.00 -0.87 5.09 2.07 -1.32 0.95 116.25 122.17 1ul3 h VAL 70 Ca -0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1ul3 h VAL 70 Cb 0.80 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.48 1ul3 h VAL 70 CO 0.00 0.00 0.46 0.44 0.02 0.00 0.00 177.57 178.49 1ul3 h ASP 71 N -0.42 0.56 -0.06 0.57 5.19 -1.85 0.92 116.42 121.32 1ul3 h ASP 71 Ca 0.03 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1ul3 h ASP 71 Cb 0.50 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1ul3 h ASP 71 CO -0.34 0.23 -0.02 -0.03 -3.12 0.00 0.00 179.24 175.96 1ul3 h MET 72 N 0.64 0.12 -0.86 3.56 4.05 -1.77 -2.15 114.93 118.51 1ul3 h MET 72 Ca 0.48 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.84 1ul3 h MET 72 Cb 0.68 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.43 1ul3 h MET 72 CO -0.37 0.46 0.48 0.28 0.23 0.00 0.00 176.91 177.99 1ul3 h VAL 73 N -0.23 1.25 -0.37 -5.77 2.07 -0.10 -1.70 116.25 111.39 1ul3 h VAL 73 Ca 0.01 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 1ul3 h VAL 73 Cb 0.42 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ul3 h VAL 73 CO 0.01 0.28 0.10 0.58 0.02 0.00 0.00 177.57 178.55 1ul3 h VAL 74 N 1.19 1.22 -0.26 2.57 2.07 -0.84 -0.01 116.25 122.19 1ul3 h VAL 74 Ca 0.30 -0.75 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1ul3 h VAL 74 Cb 0.01 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1ul3 h VAL 74 CO -0.05 0.26 0.07 0.44 0.02 0.00 0.00 177.57 178.31 1ul3 h ASP 75 N 0.46 0.06 -0.66 0.57 3.32 -1.03 0.15 116.42 119.28 1ul3 h ASP 75 Ca 0.12 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1ul3 h ASP 75 Cb 0.30 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1ul3 h ASP 75 CO 0.00 0.06 0.26 0.11 -1.72 0.00 0.00 179.24 177.95 1ul3 h LYS 76 N 0.18 1.01 -0.32 3.56 6.56 -1.16 -1.39 116.57 125.01 1ul3 h LYS 76 Ca 0.12 -0.18 -0.02 0.00 -1.06 0.00 0.00 60.65 59.50 1ul3 h LYS 76 Cb 0.10 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 1ul3 h LYS 76 CO -0.14 0.84 0.10 -0.07 -2.06 0.00 0.00 179.45 178.12 1ul3 h LEU 77 N 0.99 0.46 -0.43 2.94 3.38 -0.36 -1.42 115.31 120.88 1ul3 h LEU 77 Ca 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ul3 h LEU 77 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ul3 h LEU 77 CO -0.02 0.54 0.16 0.58 0.09 0.00 0.00 178.44 179.80 1ul3 h VAL 78 N 0.36 1.21 -0.86 1.22 2.07 -0.70 -0.06 116.25 119.48 1ul3 h VAL 78 Ca 0.10 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1ul3 h VAL 78 Cb 0.24 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1ul3 h VAL 78 CO -0.00 0.23 0.51 0.28 0.02 0.00 0.00 177.57 178.61 1ul3 h SER 79 N 0.55 1.04 -0.06 0.57 0.02 -1.19 -1.66 113.55 112.82 1ul3 h SER 79 Ca 0.14 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1ul3 h SER 79 Cb 0.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1ul3 h SER 79 CO -0.01 0.81 -0.34 0.00 -1.14 0.00 0.00 176.83 176.15 1ul3 h ALA 80 N 1.37 0.12 0.00 3.77 0.00 -0.99 -3.37 119.26 120.17 1ul3 h ALA 80 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ul3 h ALA 80 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ul3 h ALA 80 CO -0.06 0.19 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 1ul3 h ALA 81 N 0.41 0.84 -2.63 0.00 0.00 -0.96 -3.44 119.26 113.47 1ul3 h ALA 81 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 1ul3 h ALA 81 Cb 1.00 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.84 1ul3 h ALA 81 CO 0.07 0.00 0.46 0.50 0.00 0.00 0.00 179.25 180.28 1ul3 s ARG 82 N -3.25 3.82 0.00 0.00 3.52 -0.63 -4.80 118.95 117.61 1ul3 s ARG 82 Ca 0.05 1.69 0.00 0.00 -0.13 0.00 0.00 55.73 57.34 1ul3 s ARG 82 Cb 0.07 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 31.06 1ul3 s ARG 82 CO 0.71 -0.48 0.00 0.25 -0.81 0.00 0.00 175.30 174.97 1ul3 n THR 83 N -0.47 0.00 0.00 4.11 -2.24 -1.26 -5.02 114.28 109.39 1ul3 n THR 83 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1ul3 n THR 83 Cb 0.49 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.47 0.86 3.88 3.38 0.00 -1.26 -5.06 105.19 108.46 1ul3 n GLY 84 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.98 3.75 0.27 1.61 0.41 -1.26 -5.03 118.70 117.47 1ul3 s GLU 85 Ca 0.00 0.23 -0.31 0.00 -0.41 0.00 0.00 54.97 54.48 1ul3 s GLU 85 Cb 0.00 -2.61 -0.12 0.00 -1.78 0.00 0.00 34.13 29.62 1ul3 s GLU 85 CO 0.00 0.24 1.62 -0.89 -0.49 0.00 0.00 175.26 175.73 1ul3 n ILE 86 N -0.53 0.76 0.00 -1.63 5.41 -1.26 -3.19 119.36 118.92 1ul3 n ILE 86 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1ul3 n ILE 86 Cb 0.53 -1.94 0.00 0.00 -0.71 0.00 0.00 39.64 37.52 1ul3 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ul3 n GLY 87 N 2.60 1.13 0.22 7.39 0.00 -1.26 -4.99 105.19 110.28 1ul3 n GLY 87 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 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 -5.00 1.61 3.32 -1.92 -3.44 116.42 110.98 1ul3 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ul3 h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ul3 h ASP 88 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1ul3 n GLY 89 N -0.06 -1.13 3.12 2.75 0.00 -1.26 -4.20 105.19 104.41 1ul3 n GLY 89 Ca 0.01 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 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 0.76 -0.09 1.61 -0.14 -0.99 -4.99 119.74 115.90 1ul3 s LYS 90 Ca 0.00 -1.31 -0.00 0.00 -1.36 0.00 0.00 55.97 53.30 1ul3 s LYS 90 Cb 0.00 0.23 0.02 0.00 -1.68 0.00 0.00 37.83 36.40 1ul3 s LYS 90 CO 0.00 -0.18 -0.06 0.42 -0.76 0.00 0.00 175.35 174.77 1ul3 s ILE 91 N -3.97 0.82 -0.16 2.17 1.01 -1.26 -0.03 121.20 119.78 1ul3 s ILE 91 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1ul3 s ILE 91 Cb 0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1ul3 s ILE 91 CO -0.05 0.32 -0.00 -0.36 0.00 0.00 0.00 174.94 174.85 1ul3 s PHE 92 N 1.55 3.10 -0.20 3.97 0.08 0.92 -4.95 117.98 122.46 1ul3 s PHE 92 Ca 0.01 -0.16 -0.03 0.00 0.12 0.00 0.00 56.93 56.87 1ul3 s PHE 92 Cb -0.13 -1.99 -0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1ul3 s PHE 92 CO -0.05 0.05 -0.07 0.42 -0.10 0.00 0.00 175.22 175.47 1ul3 s ILE 93 N 0.31 3.24 0.13 0.64 1.01 -1.26 -0.70 121.20 124.58 1ul3 s ILE 93 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1ul3 s ILE 93 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 1ul3 s ILE 93 CO 0.02 0.45 -0.03 -0.94 0.00 0.00 0.00 174.94 174.45 1ul3 s SER 94 N 1.20 1.09 0.45 3.58 1.04 -0.33 -4.96 113.70 115.77 1ul3 s SER 94 Ca 0.02 -1.09 -0.22 0.00 0.48 0.00 0.00 55.95 55.14 1ul3 s SER 94 Cb -0.14 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.01 1ul3 s SER 94 CO -0.02 -0.53 1.04 -2.16 0.98 0.00 0.00 173.24 172.55 1ul3 s PRO 95 N -3.89 3.94 -0.09 4.02 0.04 -1.26 0.41 135.00 138.17 1ul3 s PRO 95 Ca 0.18 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ul3 s PRO 95 Cb 0.06 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1ul3 s PRO 95 CO -0.01 -0.32 -0.06 0.08 0.04 0.00 0.00 177.00 176.74 1ul3 s VAL 96 N -1.85 0.84 0.02 -0.36 1.01 -0.81 -4.67 120.40 114.57 1ul3 s VAL 96 Ca 0.64 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 1ul3 s VAL 96 Cb -0.19 -0.87 -0.17 0.00 0.00 0.00 0.00 36.38 35.15 1ul3 s VAL 96 CO 0.23 0.33 1.25 0.44 0.00 0.00 0.00 175.10 177.35 1ul3 h ASP 97 N 7.96 0.37 -5.08 3.32 3.32 -1.97 -3.41 116.42 120.94 1ul3 h ASP 97 Ca -0.28 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.19 1ul3 h ASP 97 Cb 1.14 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 40.49 1ul3 h ASP 97 CO 0.39 0.88 0.07 -0.94 -1.72 0.00 0.00 179.24 177.91 1ul3 s SER 98 N -6.25 -0.27 -0.06 6.45 1.04 -1.26 -4.39 113.70 108.96 1ul3 s SER 98 Ca -0.14 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.80 1ul3 s SER 98 Cb 0.04 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1ul3 s SER 98 CO 0.76 -1.11 -0.12 -0.69 0.98 0.00 0.00 173.24 173.05 1ul3 s VAL 99 N -3.89 1.15 -0.19 5.02 1.01 -0.20 -4.97 120.40 118.33 1ul3 s VAL 99 Ca 0.10 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ul3 s VAL 99 Cb -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1ul3 s VAL 99 CO -0.01 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.61 1ul3 s VAL 100 N 0.64 2.43 -0.14 2.92 1.01 -1.26 0.34 120.40 126.34 1ul3 s VAL 100 Ca -0.14 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.73 1ul3 s VAL 100 Cb -0.16 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ul3 s VAL 100 CO 0.04 0.50 1.21 0.00 0.00 0.00 0.00 175.10 176.85 1ul3 s ARG 101 N 1.34 4.28 0.11 2.72 3.03 -0.42 -4.94 118.95 125.07 1ul3 s ARG 101 Ca 0.05 1.62 -0.19 0.00 2.03 0.00 0.00 55.73 59.24 1ul3 s ARG 101 Cb -0.13 -3.68 -0.06 0.00 -1.03 0.00 0.00 34.95 30.04 1ul3 s ARG 101 CO -0.10 -0.61 1.71 0.82 -1.13 0.00 0.00 175.30 175.99 1ul3 h ILE 102 N 5.34 1.11 0.23 4.99 2.04 -1.95 0.16 117.51 129.43 1ul3 h ILE 102 Ca -0.28 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ul3 h ILE 102 Cb 1.12 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1ul3 h ILE 102 CO 0.94 0.11 -0.46 -0.09 0.00 0.00 0.00 178.15 178.65 1ul3 h ARG 103 N 0.27 -0.74 0.00 2.37 2.43 -1.99 -3.23 114.38 113.48 1ul3 h ARG 103 Ca 0.08 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1ul3 h ARG 103 Cb 0.06 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1ul3 h ARG 103 CO -0.01 -0.49 -1.21 1.79 -1.51 0.00 0.00 179.97 178.53 1ul3 h THR 104 N -0.77 0.41 0.00 0.20 1.35 -2.00 -3.48 112.91 108.63 1ul3 h THR 104 Ca -0.01 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 1ul3 h THR 104 Cb 0.75 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1ul3 h THR 104 CO -0.19 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1ul3 n GLY 105 N 1.33 0.70 3.67 5.82 0.00 0.55 -5.01 105.19 112.25 1ul3 n GLY 105 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.32 4.21 -0.24 1.61 8.01 -1.22 -4.76 118.70 126.00 1ul3 s GLU 106 Ca 0.00 2.05 -0.15 0.00 0.01 0.00 0.00 54.97 56.88 1ul3 s GLU 106 Cb 0.00 -3.84 -0.04 0.00 -4.31 0.00 0.00 34.13 25.94 1ul3 s GLU 106 CO 0.00 -0.76 0.37 0.21 0.01 0.00 0.00 175.26 175.09 1ul3 s LYS 107 N 3.55 4.10 -0.17 1.61 2.20 -1.26 -1.30 119.74 128.46 1ul3 s LYS 107 Ca 0.68 0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 56.36 1ul3 s LYS 107 Cb -0.31 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1ul3 s LYS 107 CO 0.26 -0.14 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.55 1ul3 s ASP 108 N 1.31 4.57 0.06 1.43 1.01 0.15 -4.96 116.67 120.24 1ul3 s ASP 108 Ca 0.17 -0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.28 1ul3 s ASP 108 Cb -0.15 -1.75 -0.03 0.00 1.01 0.00 0.00 42.92 42.00 1ul3 s ASP 108 CO 0.08 0.12 -0.22 0.42 0.21 0.00 0.00 175.17 175.78 1ul3 s THR 109 N 0.68 1.78 -0.05 -1.27 -4.23 -1.26 -1.03 115.64 110.26 1ul3 s THR 109 Ca -0.03 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1ul3 s THR 109 Cb -0.15 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.16 1ul3 s THR 109 CO 0.02 0.19 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.57 1ul3 s GLU 110 N -1.34 0.65 0.28 3.99 2.12 -1.26 -5.08 118.70 118.06 1ul3 s GLU 110 Ca 0.08 0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 1ul3 s GLU 110 Cb -0.09 -0.83 -0.01 0.00 0.26 0.00 0.00 34.13 33.46 1ul3 s GLU 110 CO 0.02 -0.18 0.40 0.00 -0.54 0.00 0.00 175.26 174.97 1ul3 s ALA 111 N 1.34 0.58 0.00 6.30 0.00 -1.26 -3.60 121.76 125.12 1ul3 s ALA 111 Ca -0.05 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1ul3 s ALA 111 Cb -0.13 1.19 0.00 0.00 0.00 0.00 0.00 23.12 24.18 1ul3 s ALA 111 CO -0.02 -0.76 0.00 -0.89 0.00 0.00 0.00 175.76 174.08