#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0q s HIS 3 N 0.00 1.19 -1.59 1.61 4.02 -1.26 -5.04 115.29 114.22 1d0q s HIS 3 Ca 0.00 -1.35 0.30 0.00 1.02 0.00 0.00 55.06 55.04 1d0q s HIS 3 Cb 0.00 -0.31 1.57 0.00 -1.02 0.00 0.00 32.58 32.82 1d0q s HIS 3 CO 0.00 -0.96 2.07 0.54 1.02 0.00 0.00 174.74 177.41 1d0q n ARG 4 N -0.51 0.59 -4.60 1.40 1.74 -1.26 -4.61 116.66 109.42 1d0q n ARG 4 Ca 0.03 -0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.73 1d0q n ARG 4 Cb 0.63 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.44 1d0q n ARG 4 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d0q s ILE 5 N -2.43 3.59 0.57 0.55 1.01 -1.26 -4.97 121.20 118.26 1d0q s ILE 5 Ca 0.33 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 1d0q s ILE 5 Cb 0.21 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 1d0q s ILE 5 CO 0.44 0.54 1.31 -2.84 0.00 0.00 0.00 174.94 174.40 1d0q s PRO 6 N -0.12 2.99 0.21 2.79 0.02 -1.26 -4.80 135.00 134.84 1d0q s PRO 6 Ca 0.01 2.11 -0.09 0.00 0.02 0.00 0.00 61.00 63.05 1d0q s PRO 6 Cb -0.13 -2.11 0.30 0.00 0.02 0.00 0.00 34.50 32.58 1d0q s PRO 6 CO 0.03 -1.26 1.75 1.49 -0.33 0.00 0.00 177.00 178.67 1d0q h GLU 7 N 1.17 0.42 -0.76 5.54 4.81 -1.99 -0.90 114.58 122.88 1d0q h GLU 7 Ca -0.51 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1d0q h GLU 7 Cb 1.31 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1d0q h GLU 7 CO 0.56 0.28 0.42 1.05 -0.73 0.00 0.00 179.01 180.59 1d0q h GLU 8 N 0.44 1.04 -0.05 1.92 9.09 -2.00 -1.36 114.58 123.66 1d0q h GLU 8 Ca 0.32 -0.11 -0.19 0.00 0.05 0.00 0.00 59.36 59.43 1d0q h GLU 8 Cb 0.40 -0.21 -0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1d0q h GLU 8 CO -0.31 0.76 -0.78 1.15 0.05 0.00 0.00 179.01 179.88 1d0q h THR 9 N 1.05 1.40 -0.45 -1.06 2.02 -1.57 -1.70 112.91 112.60 1d0q h THR 9 Ca 0.27 -2.25 -0.01 0.00 0.77 0.00 0.00 66.41 65.20 1d0q h THR 9 Cb 0.01 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 1d0q h THR 9 CO -0.04 0.67 0.26 0.40 0.37 0.00 0.00 175.52 177.17 1d0q h ILE 10 N 0.24 1.15 -0.27 3.11 2.04 -0.87 0.35 117.51 123.26 1d0q h ILE 10 Ca -0.04 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1d0q h ILE 10 Cb 1.37 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1d0q h ILE 10 CO 0.13 0.16 0.08 -0.08 0.00 0.00 0.00 178.15 178.43 1d0q h GLU 11 N 0.59 0.18 -0.74 2.37 4.81 -1.15 -0.56 114.58 120.08 1d0q h GLU 11 Ca 0.16 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1d0q h GLU 11 Cb 0.03 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1d0q h GLU 11 CO -0.03 0.12 0.33 0.00 -0.73 0.00 0.00 179.01 178.71 1d0q h ALA 12 N 1.19 1.19 0.04 2.92 0.00 -0.71 -1.58 119.26 122.31 1d0q h ALA 12 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1d0q h ALA 12 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1d0q h ALA 12 CO -0.15 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.51 1d0q h ILE 13 N 1.06 1.01 -0.63 0.00 2.04 -0.42 -1.68 117.51 118.90 1d0q h ILE 13 Ca 0.25 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.01 1d0q h ILE 13 Cb 0.14 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1d0q h ILE 13 CO -0.03 0.04 0.35 -0.09 0.00 0.00 0.00 178.15 178.42 1d0q h ARG 14 N -0.12 0.64 0.00 2.37 2.43 -0.68 -1.71 114.38 117.32 1d0q h ARG 14 Ca -0.01 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1d0q h ARG 14 Cb 0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1d0q h ARG 14 CO 0.01 0.43 -0.21 0.00 -1.51 0.00 0.00 179.97 178.69 1d0q h ARG 15 N 0.66 0.00 -0.01 0.20 3.08 -1.28 -2.89 114.38 114.15 1d0q h ARG 15 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1d0q h ARG 15 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1d0q h ARG 15 CO -0.16 0.21 -0.01 0.41 -1.07 0.00 0.00 179.97 179.35 1d0q n GLY 16 N -0.25 -0.68 3.32 0.04 0.00 -0.64 -4.88 105.19 102.10 1d0q n GLY 16 Ca -0.01 -0.28 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 1d0q n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d0q s VAL 17 N -2.06 1.66 -0.28 1.61 -7.23 -1.09 -4.07 120.40 108.94 1d0q s VAL 17 Ca 0.42 -2.08 -0.05 0.00 -1.81 0.00 0.00 61.98 58.47 1d0q s VAL 17 Cb 0.21 -1.92 0.01 0.00 0.56 0.00 0.00 36.38 35.24 1d0q s VAL 17 CO 0.37 -0.53 0.04 -0.62 -0.31 0.00 0.00 175.10 174.05 1d0q s ASP 18 N -3.06 4.87 0.46 4.85 -1.08 -1.26 -4.99 116.67 116.45 1d0q s ASP 18 Ca 0.19 -0.72 0.17 0.00 -0.52 0.00 0.00 52.55 51.67 1d0q s ASP 18 Cb -0.02 -1.82 1.13 0.00 -1.46 0.00 0.00 42.92 40.75 1d0q s ASP 18 CO 0.06 -0.16 1.98 -0.29 0.52 0.00 0.00 175.17 177.27 1d0q h ILE 19 N 5.92 0.84 -0.57 4.11 2.10 -1.94 -0.84 117.51 127.13 1d0q h ILE 19 Ca -0.32 -0.10 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 1d0q h ILE 19 Cb 1.12 0.51 -0.03 0.00 -1.09 0.00 0.00 36.82 37.34 1d0q h ILE 19 CO 0.59 0.06 0.30 0.58 -1.08 0.00 0.00 178.15 178.60 1d0q h VAL 20 N 0.30 1.19 -0.56 2.19 2.07 -1.94 0.19 116.25 119.70 1d0q h VAL 20 Ca 0.28 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1d0q h VAL 20 Cb 0.70 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1d0q h VAL 20 CO -0.07 0.21 0.24 -0.78 0.02 0.00 0.00 177.57 177.20 1d0q h ASP 21 N 0.77 0.75 0.08 0.57 3.58 -1.62 -0.95 116.42 119.60 1d0q h ASP 21 Ca 0.20 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1d0q h ASP 21 Cb 0.07 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1d0q h ASP 21 CO -0.03 0.70 -0.04 0.58 -2.88 0.00 0.00 179.24 177.57 1d0q h VAL 22 N 0.76 0.99 -0.19 2.25 2.07 -1.04 -3.19 116.25 117.90 1d0q h VAL 22 Ca 0.19 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 1d0q h VAL 22 Cb 0.17 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1d0q h VAL 22 CO -0.02 0.06 -0.36 0.40 0.02 0.00 0.00 177.57 177.67 1d0q h ILE 23 N -0.22 1.29 0.00 4.57 2.04 -0.96 -3.14 117.51 121.09 1d0q h ILE 23 Ca -0.01 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1d0q h ILE 23 Cb 0.19 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1d0q h ILE 23 CO 0.02 0.45 0.10 1.23 0.00 0.00 0.00 178.15 179.95 1d0q h GLY 24 N 1.11 0.00 1.74 5.37 0.00 -1.15 0.11 103.07 110.25 1d0q h GLY 24 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1d0q h GLY 24 CO 0.06 0.00 -0.03 1.18 0.00 0.00 0.00 176.54 177.75 1d0q n GLU 25 N -2.37 0.19 0.00 4.80 1.02 -1.19 -4.20 120.64 118.89 1d0q n GLU 25 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1d0q n GLU 25 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1d0q n GLU 25 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1d0q n TYR 26 N -1.39 0.00 -3.96 -0.32 4.01 0.28 -5.09 117.16 110.69 1d0q n TYR 26 Ca 0.10 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.64 1d0q n TYR 26 Cb 0.30 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.16 1d0q n TYR 26 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1d0q s VAL 27 N -1.37 0.38 -0.20 -0.72 1.01 -0.49 -4.98 120.40 114.02 1d0q s VAL 27 Ca 0.00 0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1d0q s VAL 27 Cb 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1d0q s VAL 27 CO 0.00 0.22 1.22 -1.58 0.00 0.00 0.00 175.10 174.96 1d0q s GLN 28 N 1.33 4.20 -0.05 2.72 2.00 -1.26 -4.23 119.66 124.38 1d0q s GLN 28 Ca -0.05 1.54 0.03 0.00 -2.00 0.00 0.00 55.36 54.89 1d0q s GLN 28 Cb -0.13 -3.75 -0.03 0.00 0.80 0.00 0.00 33.01 29.90 1d0q s GLN 28 CO -0.02 -0.74 -0.12 -0.51 -0.50 0.00 0.00 175.29 173.39 1d0q s LEU 29 N 3.55 2.85 -0.03 3.68 1.43 -1.26 -4.44 118.68 124.46 1d0q s LEU 29 Ca 0.53 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 1d0q s LEU 29 Cb -0.20 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1d0q s LEU 29 CO 0.14 0.34 -0.18 -1.59 0.23 0.00 0.00 176.35 175.29 1d0q s LYS 30 N -0.83 1.67 0.37 1.70 0.00 -0.58 -4.91 119.74 117.16 1d0q s LYS 30 Ca 0.12 -0.64 -0.27 0.00 0.00 0.00 0.00 55.97 55.19 1d0q s LYS 30 Cb -0.11 -1.51 -0.09 0.00 0.00 0.00 0.00 37.83 36.12 1d0q s LYS 30 CO 0.01 0.31 1.27 0.50 0.00 0.00 0.00 175.35 177.45 1d0q s ARG 31 N -0.17 4.17 -0.28 1.78 3.52 -1.26 -0.35 118.95 126.34 1d0q s ARG 31 Ca 0.01 2.10 0.01 0.00 -0.13 0.00 0.00 55.73 57.73 1d0q s ARG 31 Cb -0.10 -2.88 0.16 0.00 -1.56 0.00 0.00 34.95 30.57 1d0q s ARG 31 CO 0.01 -0.31 0.41 -1.14 -0.81 0.00 0.00 175.30 173.46 1d0q s GLN 32 N -2.04 0.41 4.71 5.12 0.74 -0.58 -4.89 119.66 123.13 1d0q s GLN 32 Ca 0.53 0.19 0.00 0.00 0.05 0.00 0.00 55.36 56.13 1d0q s GLN 32 Cb -0.37 -0.31 0.00 0.00 1.10 0.00 0.00 33.01 33.43 1d0q s GLN 32 CO 0.48 -0.99 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 1d0q n GLY 33 N 5.36 1.34 0.26 2.59 0.00 -1.26 -2.19 105.19 111.28 1d0q n GLY 33 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.43 1d0q n GLY 33 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d0q n ARG 34 N 11.66 0.84 -3.53 1.61 1.85 -1.26 -4.92 116.66 122.91 1d0q n ARG 34 Ca 0.00 -0.52 -0.22 0.00 -1.00 0.00 0.00 57.85 56.11 1d0q n ARG 34 Cb 0.00 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 1d0q n ARG 34 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1d0q s ASN 35 N -2.52 4.93 0.01 2.89 0.02 -0.93 -4.45 114.94 114.89 1d0q s ASN 35 Ca 0.23 -0.95 0.08 0.00 -1.02 0.00 0.00 52.86 51.20 1d0q s ASN 35 Cb 0.19 0.03 -0.02 0.00 0.02 0.00 0.00 41.25 41.47 1d0q s ASN 35 CO 0.53 -1.01 -0.23 -0.31 0.02 0.00 0.00 177.10 176.10 1d0q s TYR 36 N -2.63 2.04 0.12 2.20 2.02 -0.19 -1.53 117.35 119.38 1d0q s TYR 36 Ca 0.46 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1d0q s TYR 36 Cb -0.04 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1d0q s TYR 36 CO 0.28 0.03 -0.15 -0.06 -1.57 0.00 0.00 175.55 174.09 1d0q s PHE 37 N -0.66 1.45 0.00 2.71 0.40 0.52 -0.70 117.98 121.70 1d0q s PHE 37 Ca 0.09 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1d0q s PHE 37 Cb -0.09 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.68 1d0q s PHE 37 CO 0.00 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.50 1d0q n GLY 38 N 0.55 0.94 3.76 4.36 0.00 -0.31 -1.53 105.19 112.96 1d0q n GLY 38 Ca -0.16 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1d0q n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d0q s LEU 39 N 0.00 4.62 -0.03 0.99 1.43 -1.26 -1.41 118.68 123.02 1d0q s LEU 39 Ca 0.00 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.62 1d0q s LEU 39 Cb 0.00 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1d0q s LEU 39 CO 0.00 0.17 1.26 0.00 0.23 0.00 0.00 176.35 178.01 1d0q n PRO 41 N 5.21 0.38 -0.01 0.00 -0.04 -1.26 -3.97 135.00 135.32 1d0q n PRO 41 Ca 0.12 -0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1d0q n PRO 41 Cb 0.45 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.30 1d0q n PRO 41 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1d0q n PHE 42 N -1.29 0.63 -4.07 0.54 3.01 -1.26 -4.99 117.46 110.04 1d0q n PHE 42 Ca 0.13 0.21 -0.10 0.00 1.01 0.00 0.00 57.45 58.70 1d0q n PHE 42 Cb 0.26 -1.00 -0.11 0.00 -0.01 0.00 0.00 39.48 38.63 1d0q n PHE 42 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1d0q s HIS 43 N -2.87 0.58 -0.25 1.38 -3.43 -1.25 -5.14 115.29 104.31 1d0q s HIS 43 Ca -0.05 -0.69 -0.17 0.00 -0.80 0.00 0.00 55.06 53.35 1d0q s HIS 43 Cb 0.09 -0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 30.84 1d0q s HIS 43 CO 0.83 -0.18 0.46 0.20 -2.00 0.00 0.00 174.74 174.05 1d0q s GLY 44 N -2.08 1.91 -0.28 -1.38 0.00 -1.26 -4.66 107.32 99.57 1d0q s GLY 44 Ca -0.04 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 1d0q s GLY 44 CO -0.03 1.08 1.08 -1.83 0.00 0.00 0.00 173.10 173.40 1d0q s GLU 45 N 2.01 0.44 0.31 2.90 -1.05 -1.26 -5.07 118.70 116.99 1d0q s GLU 45 Ca 0.19 0.54 0.11 0.00 -0.15 0.00 0.00 54.97 55.66 1d0q s GLU 45 Cb -0.15 0.21 0.51 0.00 -0.44 0.00 0.00 34.13 34.26 1d0q s GLU 45 CO 0.09 -0.05 1.70 -0.22 0.95 0.00 0.00 175.26 177.73 1d0q h LYS 46 N 4.14 0.02 -6.21 -4.83 3.64 -2.00 -3.45 116.57 107.88 1d0q h LYS 46 Ca -0.28 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.53 1d0q h LYS 46 Cb 1.18 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1d0q h LYS 46 CO 0.12 0.52 0.07 0.99 -2.27 0.00 0.00 179.45 178.88 1d0q s THR 47 N -3.88 4.78 0.29 1.00 2.01 -1.26 -5.03 115.64 113.55 1d0q s THR 47 Ca -0.02 1.43 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 1d0q s THR 47 Cb 0.13 -4.02 -0.12 0.00 0.01 0.00 0.00 72.50 68.51 1d0q s THR 47 CO 0.75 0.42 1.57 -0.81 -0.69 0.00 0.00 174.62 175.86 1d0q n PRO 48 N 2.59 2.62 0.00 4.92 -0.04 -1.26 -4.82 135.00 139.01 1d0q n PRO 48 Ca -0.05 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1d0q n PRO 48 Cb 0.50 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1d0q n PRO 48 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1d0q n SER 49 N 2.18 0.00 -4.72 3.54 3.41 -1.05 -4.98 113.62 112.00 1d0q n SER 49 Ca 0.09 -1.00 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 1d0q n SER 49 Cb 0.36 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1d0q n SER 49 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1d0q s PHE 50 N 0.00 3.42 0.05 7.33 2.19 -0.50 -0.60 117.98 129.86 1d0q s PHE 50 Ca 0.00 0.44 0.06 0.00 0.33 0.00 0.00 56.93 57.75 1d0q s PHE 50 Cb 0.00 -2.26 -0.02 0.00 -1.31 0.00 0.00 43.02 39.43 1d0q s PHE 50 CO 0.00 0.24 -0.16 0.45 1.83 0.00 0.00 175.22 177.58 1d0q s SER 51 N 0.49 1.89 -0.03 6.13 0.15 0.59 -1.16 113.70 121.76 1d0q s SER 51 Ca 0.12 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1d0q s SER 51 Cb -0.12 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 1d0q s SER 51 CO 0.01 0.05 -0.13 -0.69 1.20 0.00 0.00 173.24 173.68 1d0q s VAL 52 N -0.90 1.09 -0.29 4.45 1.01 0.12 -0.48 120.40 125.41 1d0q s VAL 52 Ca 0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 1d0q s VAL 52 Cb -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1d0q s VAL 52 CO 0.02 0.32 0.00 -0.55 0.00 0.00 0.00 175.10 174.89 1d0q s SER 53 N 0.08 4.78 0.22 3.32 0.15 -0.19 -1.02 113.70 121.05 1d0q s SER 53 Ca -0.03 -1.02 -0.08 0.00 0.70 0.00 0.00 55.95 55.52 1d0q s SER 53 Cb -0.10 -1.74 0.19 0.00 -1.71 0.00 0.00 66.02 62.67 1d0q s SER 53 CO 0.01 -0.21 1.86 -0.65 1.20 0.00 0.00 173.24 175.45 1d0q h PRO 54 N 8.07 1.20 -0.47 5.44 0.11 -1.85 0.45 132.00 144.94 1d0q h PRO 54 Ca -0.27 -0.13 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1d0q h PRO 54 Cb 1.09 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1d0q h PRO 54 CO 0.57 0.86 -0.00 1.49 -0.21 0.00 0.00 178.00 180.71 1d0q h GLU 55 N 1.20 0.84 0.00 1.05 4.81 -1.93 -3.13 114.58 117.42 1d0q h GLU 55 Ca 0.31 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1d0q h GLU 55 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1d0q h GLU 55 CO -0.05 0.89 -0.69 0.87 -0.73 0.00 0.00 179.01 179.29 1d0q h LYS 56 N 0.69 0.00 -5.76 1.92 1.57 -1.94 -3.48 116.57 109.57 1d0q h LYS 56 Ca 0.13 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.55 1d0q h LYS 56 Cb 0.51 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.96 1d0q h LYS 56 CO 0.02 0.00 -0.74 1.04 -0.57 0.00 0.00 179.45 179.20 1d0q n GLN 57 N -2.15 -6.95 -4.11 3.15 1.13 0.16 -5.01 117.38 103.59 1d0q n GLN 57 Ca 0.03 0.82 -0.08 0.00 -1.94 0.00 0.00 57.00 55.83 1d0q n GLN 57 Cb 0.45 -5.82 -0.10 0.00 0.11 0.00 0.00 30.24 24.87 1d0q n GLN 57 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1d0q s ILE 58 N -3.36 0.30 0.31 5.09 -4.36 -1.17 -4.48 121.20 113.53 1d0q s ILE 58 Ca 0.22 -1.84 0.10 0.00 -0.26 0.00 0.00 60.65 58.87 1d0q s ILE 58 Cb -0.10 -1.59 -0.06 0.00 1.25 0.00 0.00 42.46 41.97 1d0q s ILE 58 CO 0.74 -0.94 -0.11 0.72 0.24 0.00 0.00 174.94 175.59 1d0q s PHE 59 N -3.87 2.41 -0.15 1.37 -0.12 -0.40 -1.02 117.98 116.20 1d0q s PHE 59 Ca 0.09 -0.40 -0.13 0.00 -0.05 0.00 0.00 56.93 56.45 1d0q s PHE 59 Cb 0.07 -1.23 0.04 0.00 -0.63 0.00 0.00 43.02 41.27 1d0q s PHE 59 CO -0.08 0.62 0.38 -1.58 -0.05 0.00 0.00 175.22 174.51 1d0q s HIS 60 N -2.53 -0.44 -0.21 3.49 2.46 0.37 -2.17 115.29 116.26 1d0q s HIS 60 Ca 0.32 1.05 -0.03 0.00 0.47 0.00 0.00 55.06 56.86 1d0q s HIS 60 Cb -0.02 0.15 -0.01 0.00 -0.13 0.00 0.00 32.58 32.58 1d0q s HIS 60 CO 0.17 -0.22 -0.06 0.00 -2.47 0.00 0.00 174.74 172.16 1d0q n PHE 62 N 4.61 0.00 -0.04 0.00 3.01 0.23 -0.83 117.46 124.44 1d0q n PHE 62 Ca -0.18 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.29 1d0q n PHE 62 Cb 0.51 -0.07 -0.13 0.00 -0.01 0.00 0.00 39.48 39.78 1d0q n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1d0q n GLY 63 N 1.03 -0.78 0.00 1.37 0.00 -1.26 -4.73 105.19 100.81 1d0q n GLY 63 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d0q n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0q n GLY 65 N 0.25 1.34 3.71 0.00 0.00 -0.01 -5.04 105.19 105.45 1d0q n GLY 65 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1d0q n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0q n ALA 66 N -0.46 0.97 0.00 4.61 0.00 -1.25 -4.65 120.51 119.73 1d0q n ALA 66 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1d0q n ALA 66 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1d0q n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0q n GLY 67 N 0.95 -0.82 0.00 0.00 0.00 -1.26 0.04 105.19 104.11 1d0q n GLY 67 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1d0q n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d0q n GLY 68 N -0.16 0.71 0.00 -0.02 0.00 -0.92 -4.85 105.19 99.95 1d0q n GLY 68 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1d0q n GLY 68 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d0q n ASN 69 N 1.91 0.00 -0.07 1.61 0.23 -1.26 -1.27 115.26 116.41 1d0q n ASN 69 Ca 0.00 -0.96 0.02 0.00 -0.53 0.00 0.00 54.58 53.11 1d0q n ASN 69 Cb 0.00 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.04 1d0q n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1d0q h ALA 70 N -0.44 1.55 -0.15 -2.53 0.00 -1.96 -0.52 119.26 115.21 1d0q h ALA 70 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1d0q h ALA 70 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1d0q h ALA 70 CO 0.00 0.38 0.00 0.74 0.00 0.00 0.00 179.25 180.37 1d0q h PHE 71 N 0.69 0.29 -0.22 0.00 -1.00 -1.95 -1.46 116.94 113.30 1d0q h PHE 71 Ca 0.18 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1d0q h PHE 71 Cb 0.01 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.49 1d0q h PHE 71 CO 0.00 0.49 0.13 1.15 -1.61 0.00 0.00 178.31 178.47 1d0q h THR 72 N 0.01 1.10 -0.26 -1.55 2.02 -1.85 0.25 112.91 112.63 1d0q h THR 72 Ca 0.04 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1d0q h THR 72 Cb 0.37 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1d0q h THR 72 CO 0.01 0.09 0.17 0.15 0.37 0.00 0.00 175.52 176.31 1d0q h PHE 73 N 0.27 0.33 -0.34 3.16 3.04 -1.04 -2.06 116.94 120.29 1d0q h PHE 73 Ca 0.08 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.87 1d0q h PHE 73 Cb 0.03 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.43 1d0q h PHE 73 CO -0.04 0.22 -0.45 -0.07 -2.02 0.00 0.00 178.31 175.95 1d0q h LEU 74 N 0.34 0.97 -0.90 0.59 3.38 -0.92 -0.24 115.31 118.53 1d0q h LEU 74 Ca 0.09 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1d0q h LEU 74 Cb -0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 1d0q h LEU 74 CO -0.02 1.27 0.59 0.24 0.09 0.00 0.00 178.44 180.61 1d0q h MET 75 N 0.72 1.11 0.01 1.13 2.86 -0.45 -2.58 114.93 117.72 1d0q h MET 75 Ca 0.04 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 1d0q h MET 75 Cb 1.04 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1d0q h MET 75 CO 0.10 0.73 -0.91 -0.44 1.06 0.00 0.00 176.91 177.46 1d0q h ASP 76 N 1.14 0.08 0.37 1.22 3.45 -1.23 0.62 116.42 122.06 1d0q h ASP 76 Ca 0.36 -0.07 -0.15 0.00 0.43 0.00 0.00 57.03 57.60 1d0q h ASP 76 Cb 0.00 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1d0q h ASP 76 CO -0.12 0.94 -0.62 -0.29 -1.57 0.00 0.00 179.24 177.58 1d0q h ILE 77 N 0.03 1.39 0.00 0.35 6.09 -0.85 -3.26 117.51 121.26 1d0q h ILE 77 Ca -0.02 -2.01 0.00 0.00 -1.37 0.00 0.00 64.86 61.45 1d0q h ILE 77 Cb 1.58 2.02 0.00 0.00 0.47 0.00 0.00 36.82 40.89 1d0q h ILE 77 CO 0.12 0.59 -0.62 -0.62 -3.07 0.00 0.00 178.15 174.56 1d0q n GLU 78 N -3.86 2.98 -3.19 2.19 1.02 -0.99 -5.01 120.64 113.77 1d0q n GLU 78 Ca -0.02 -0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 56.95 1d0q n GLU 78 Cb 0.63 -1.06 0.06 0.00 -0.02 0.00 0.00 31.44 31.04 1d0q n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d0q n GLY 79 N 1.31 -0.08 3.54 0.62 0.00 0.17 -5.03 105.19 105.72 1d0q n GLY 79 Ca 0.02 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 1d0q n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1d0q s ILE 80 N -3.22 2.98 0.84 -0.61 -4.36 -0.97 -5.04 121.20 110.83 1d0q s ILE 80 Ca 0.31 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 1d0q s ILE 80 Cb -0.14 -2.49 0.10 0.00 1.25 0.00 0.00 42.46 41.18 1d0q s ILE 80 CO 0.50 -0.17 1.13 -2.16 0.24 0.00 0.00 174.94 174.48 1d0q s PRO 81 N -2.95 1.71 0.16 0.37 0.04 -1.26 -4.49 135.00 128.58 1d0q s PRO 81 Ca 0.25 0.39 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 1d0q s PRO 81 Cb -0.08 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.67 1d0q s PRO 81 CO 0.15 -1.83 1.71 0.35 0.04 0.00 0.00 177.00 177.41 1d0q h PHE 82 N -1.23 0.02 0.00 0.56 3.04 -1.98 -1.00 116.94 116.35 1d0q h PHE 82 Ca -0.48 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.46 1d0q h PHE 82 Cb 1.30 0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.86 1d0q h PHE 82 CO 0.37 -0.05 -0.14 -0.39 -2.02 0.00 0.00 178.31 176.08 1d0q h VAL 83 N 0.13 0.76 -0.06 1.41 -1.51 -1.97 0.85 116.25 115.85 1d0q h VAL 83 Ca 0.19 -0.56 -0.20 0.00 -1.23 0.00 0.00 66.70 64.90 1d0q h VAL 83 Cb 0.26 1.34 0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1d0q h VAL 83 CO -0.30 0.14 -0.76 -0.08 -1.23 0.00 0.00 177.57 175.34 1d0q h GLU 84 N 0.00 0.63 -0.49 5.19 4.57 -1.65 -0.76 114.58 122.06 1d0q h GLU 84 Ca -0.00 -0.59 -0.09 0.00 -1.18 0.00 0.00 59.36 57.49 1d0q h GLU 84 Cb 0.33 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1d0q h GLU 84 CO 0.02 1.20 -0.07 0.00 -1.18 0.00 0.00 179.01 178.98 1d0q h ALA 85 N 0.44 0.95 -0.53 2.92 0.00 -0.79 -2.07 119.26 120.17 1d0q h ALA 85 Ca -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1d0q h ALA 85 Cb 1.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1d0q h ALA 85 CO 0.15 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.22 1d0q h ALA 86 N 1.12 1.34 -0.41 0.00 0.00 -0.68 -0.42 119.26 120.21 1d0q h ALA 86 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1d0q h ALA 86 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1d0q h ALA 86 CO 0.04 0.49 0.07 1.57 0.00 0.00 0.00 179.25 181.42 1d0q h LYS 87 N 0.76 0.68 -0.30 0.00 5.09 -0.63 0.31 116.57 122.49 1d0q h LYS 87 Ca 0.18 -0.18 -0.14 0.00 0.09 0.00 0.00 60.65 60.60 1d0q h LYS 87 Cb 0.18 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 1d0q h LYS 87 CO -0.01 0.72 -0.38 0.00 -2.09 0.00 0.00 179.45 177.69 1d0q h ARG 88 N 0.54 0.69 -0.24 0.07 3.08 -1.07 -2.31 114.38 115.13 1d0q h ARG 88 Ca 0.13 -0.34 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 1d0q h ARG 88 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1d0q h ARG 88 CO 0.01 0.95 -0.39 -0.07 -1.07 0.00 0.00 179.97 179.40 1d0q h LEU 89 N 0.57 0.58 -1.61 3.04 4.07 -0.82 -3.00 115.31 118.14 1d0q h LEU 89 Ca 0.05 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 57.78 1d0q h LEU 89 Cb 0.90 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1d0q h LEU 89 CO 0.08 0.91 0.30 0.00 -1.08 0.00 0.00 178.44 178.65 1d0q h ALA 90 N 1.12 1.77 -0.36 1.53 0.00 -0.03 -0.11 119.26 123.19 1d0q h ALA 90 Ca 0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1d0q h ALA 90 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1d0q h ALA 90 CO 0.08 0.18 -0.35 0.00 0.00 0.00 0.00 179.25 179.15 1d0q h ALA 91 N 1.74 0.70 -0.07 0.00 0.00 -1.28 0.97 119.26 121.31 1d0q h ALA 91 Ca 0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1d0q h ALA 91 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1d0q h ALA 91 CO -0.04 0.66 -0.49 0.87 0.00 0.00 0.00 179.25 180.25 1d0q h LYS 92 N 0.68 0.19 0.00 0.00 1.57 -1.32 -3.16 116.57 114.53 1d0q h LYS 92 Ca 0.06 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1d0q h LYS 92 Cb 0.91 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1d0q h LYS 92 CO 0.08 0.64 -0.20 0.00 -0.57 0.00 0.00 179.45 179.40 1d0q n ALA 93 N -2.47 2.52 -1.83 3.86 0.00 -0.12 -4.87 120.51 117.60 1d0q n ALA 93 Ca -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.28 1d0q n ALA 93 Cb 0.53 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.61 1d0q n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0q n GLY 94 N 1.34 0.33 3.72 0.00 0.00 0.15 -4.88 105.19 105.85 1d0q n GLY 94 Ca 0.05 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1d0q n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d0q s VAL 95 N -2.15 5.22 0.20 1.61 1.01 -0.13 -5.04 120.40 121.12 1d0q s VAL 95 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1d0q s VAL 95 Cb 0.00 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 1d0q s VAL 95 CO 0.00 0.47 1.09 -0.62 0.00 0.00 0.00 175.10 176.04 1d0q s ASP 96 N 0.21 7.28 0.00 3.32 2.15 -1.26 -4.53 116.67 123.83 1d0q s ASP 96 Ca 0.07 2.13 0.00 0.00 0.43 0.00 0.00 52.55 55.18 1d0q s ASP 96 Cb -0.11 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1d0q s ASP 96 CO -0.01 -0.19 0.33 0.18 -0.17 0.00 0.00 175.17 175.32 1d0q n LEU 97 N 2.07 0.66 -0.29 -1.34 4.77 -1.26 -4.79 117.00 116.82 1d0q n LEU 97 Ca 0.02 -0.67 0.01 0.00 -0.03 0.00 0.00 56.01 55.34 1d0q n LEU 97 Cb 0.46 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.75 1d0q n LEU 97 CO 0.54 0.16 1.26 0.77 -1.33 0.00 0.00 177.39 178.79 1d0q h SER 98 N 0.00 0.96 0.11 -1.43 4.64 -2.03 -2.65 113.55 113.15 1d0q h SER 98 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1d0q h SER 98 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1d0q h SER 98 CO 0.00 0.67 0.00 -0.37 -0.87 0.00 0.00 176.83 176.26 1d0q h VAL 99 N 1.13 0.00 -0.12 0.95 -1.51 -2.03 -2.96 116.25 111.71 1d0q h VAL 99 Ca 0.34 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 1d0q h VAL 99 Cb -0.03 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1d0q h VAL 99 CO -0.09 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.03 1d0q n TYR 100 N -2.76 0.13 -3.86 5.19 4.01 -1.00 -5.00 117.16 113.87 1d0q n TYR 100 Ca -0.02 -0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.29 1d0q n TYR 100 Cb 0.08 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1d0q n TYR 100 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1d0q n GLU 101 N 0.84 -0.82 0.00 -0.72 1.02 -1.12 -4.97 120.64 114.87 1d0q n GLU 101 Ca 0.17 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1d0q n GLU 101 Cb 0.48 -3.06 0.00 0.00 -0.02 0.00 0.00 31.44 28.84 1d0q n GLU 101 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1d0q n LEU 102 N -4.17 0.00 0.00 -4.62 4.77 -1.26 -5.18 117.00 106.54 1d0q n LEU 102 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1d0q n LEU 102 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1d0q n LEU 102 CO 0.69 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 176.08