#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9l n GLN 3 N 0.00 2.47 -0.52 0.00 -0.06 -1.26 -5.04 117.38 112.98 1b9l n GLN 3 Ca 0.00 -4.60 0.00 0.00 -2.00 0.00 0.00 57.00 50.40 1b9l n GLN 3 Cb 0.00 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 23.98 1b9l n GLN 3 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1b9l n PRO 4 N 0.80 0.00 -3.40 3.69 -0.02 -1.26 -4.72 135.00 130.09 1b9l n PRO 4 Ca 0.30 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.65 1b9l n PRO 4 Cb 0.42 -0.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.90 1b9l n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b9l s ALA 5 N 1.19 -0.78 -0.12 3.55 0.00 -1.26 -3.21 121.76 121.13 1b9l s ALA 5 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 1b9l s ALA 5 Cb 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.49 1b9l s ALA 5 CO 0.00 -1.30 0.59 0.00 0.00 0.00 0.00 175.76 175.05 1b9l s ALA 6 N 2.46 3.44 -0.20 0.00 0.00 0.60 -4.80 121.76 123.26 1b9l s ALA 6 Ca 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1b9l s ALA 6 Cb -0.15 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1b9l s ALA 6 CO -0.17 -0.16 0.04 0.42 0.00 0.00 0.00 175.76 175.89 1b9l s ILE 7 N 0.98 4.39 -0.15 0.00 1.01 -1.26 -2.25 121.20 123.93 1b9l s ILE 7 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 1b9l s ILE 7 Cb -0.16 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1b9l s ILE 7 CO 0.13 0.42 -0.02 -0.63 0.00 0.00 0.00 174.94 174.84 1b9l s ILE 8 N 0.87 4.06 -0.10 2.92 1.01 0.52 -4.97 121.20 125.50 1b9l s ILE 8 Ca 0.03 -0.31 0.04 0.00 0.00 0.00 0.00 60.65 60.41 1b9l s ILE 8 Cb -0.14 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1b9l s ILE 8 CO 0.02 0.51 -0.24 -0.13 0.00 0.00 0.00 174.94 175.11 1b9l s ARG 9 N 0.14 3.05 -0.39 2.79 0.52 -1.26 -1.24 118.95 122.56 1b9l s ARG 9 Ca -0.00 -0.88 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 1b9l s ARG 9 Cb -0.13 -2.32 0.07 0.00 0.52 0.00 0.00 34.95 33.09 1b9l s ARG 9 CO 0.02 0.16 0.19 0.42 0.02 0.00 0.00 175.30 176.11 1b9l s ILE 10 N 0.39 3.82 -0.23 1.52 1.01 -0.39 -5.00 121.20 122.32 1b9l s ILE 10 Ca -0.18 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 58.79 1b9l s ILE 10 Cb -0.18 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1b9l s ILE 10 CO 0.08 -0.44 0.60 -0.54 0.00 0.00 0.00 174.94 174.64 1b9l s LYS 11 N 1.34 4.15 -1.11 2.79 1.02 -1.26 -2.11 119.74 124.55 1b9l s LYS 11 Ca 0.02 0.53 -0.17 0.00 0.02 0.00 0.00 55.97 56.37 1b9l s LYS 11 Cb -0.22 -3.62 -0.03 0.00 -0.52 0.00 0.00 37.83 33.45 1b9l s LYS 11 CO 0.01 -0.32 0.83 0.09 -0.92 0.00 0.00 175.35 175.03 1b9l n ASN 12 N 5.38 -5.67 -4.60 2.83 5.03 -1.18 -4.90 115.26 112.16 1b9l n ASN 12 Ca -0.02 -0.94 -0.43 0.00 0.87 0.00 0.00 54.58 54.07 1b9l n ASN 12 Cb 0.49 -3.86 -0.02 0.00 -1.02 0.00 0.00 39.78 35.37 1b9l n ASN 12 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1b9l s LEU 13 N -6.19 3.60 -0.25 3.41 2.96 0.90 -4.79 118.68 118.31 1b9l s LEU 13 Ca 0.47 0.85 -0.14 0.00 -0.22 0.00 0.00 54.13 55.09 1b9l s LEU 13 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1b9l s LEU 13 CO 0.83 -1.42 0.35 -0.13 -1.32 0.00 0.00 176.35 174.66 1b9l s ARG 14 N 4.91 4.05 0.26 1.98 0.52 -1.26 -0.49 118.95 128.92 1b9l s ARG 14 Ca 0.61 0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.86 1b9l s ARG 14 Cb -0.14 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 1b9l s ARG 14 CO 0.32 -0.19 0.12 -0.51 0.02 0.00 0.00 175.30 175.06 1b9l s LEU 15 N 1.80 1.53 -0.03 2.53 1.02 -0.93 -5.04 118.68 119.56 1b9l s LEU 15 Ca 0.15 -1.43 0.02 0.00 0.02 0.00 0.00 54.13 52.89 1b9l s LEU 15 Cb -0.15 0.15 0.01 0.00 0.02 0.00 0.00 46.19 46.22 1b9l s LEU 15 CO 0.09 -0.80 -0.08 -0.13 0.02 0.00 0.00 176.35 175.45 1b9l s ARG 16 N -4.01 0.98 0.31 1.70 0.52 -1.26 -1.95 118.95 115.24 1b9l s ARG 16 Ca 0.38 -0.27 -0.18 0.00 -0.52 0.00 0.00 55.73 55.14 1b9l s ARG 16 Cb 0.07 -0.91 0.03 0.00 0.52 0.00 0.00 34.95 34.65 1b9l s ARG 16 CO 0.14 0.07 0.69 -0.08 0.02 0.00 0.00 175.30 176.15 1b9l s THR 17 N 0.36 0.00 -0.30 0.02 -1.32 -0.67 -4.69 115.64 109.04 1b9l s THR 17 Ca -0.06 -1.08 -0.19 0.00 -1.21 0.00 0.00 61.69 59.15 1b9l s THR 17 Cb -0.10 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1b9l s THR 17 CO 0.01 0.00 0.58 -0.36 -2.21 0.00 0.00 174.62 172.63 1b9l s PHE 18 N -3.45 3.22 -0.08 9.09 0.08 -1.26 -0.05 117.98 125.53 1b9l s PHE 18 Ca 0.15 0.52 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 1b9l s PHE 18 Cb -0.05 -2.91 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1b9l s PHE 18 CO 0.09 -0.44 -0.02 0.42 -0.10 0.00 0.00 175.22 175.17 1b9l s ILE 19 N 2.49 0.55 0.00 0.64 1.01 -1.25 -0.80 121.20 123.83 1b9l s ILE 19 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1b9l s ILE 19 Cb -0.15 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1b9l s ILE 19 CO 0.11 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1b9l n GLY 20 N 5.00 1.22 0.00 6.18 0.00 -0.28 -4.77 105.19 112.54 1b9l n GLY 20 Ca -0.10 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.82 1b9l n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1b9l n ILE 21 N -1.53 0.00 -1.93 -0.61 -0.00 -1.26 -4.55 119.36 109.48 1b9l n ILE 21 Ca 0.00 -0.01 -0.38 0.00 -0.00 0.00 0.00 62.75 62.36 1b9l n ILE 21 Cb 0.00 0.44 0.02 0.00 -0.00 0.00 0.00 39.64 40.10 1b9l n ILE 21 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1b9l s LYS 22 N -1.69 3.46 0.24 6.28 1.02 -1.26 -4.70 119.74 123.08 1b9l s LYS 22 Ca 0.00 2.14 -0.15 0.00 0.02 0.00 0.00 55.97 57.98 1b9l s LYS 22 Cb 0.00 -2.41 0.29 0.00 -0.52 0.00 0.00 37.83 35.19 1b9l s LYS 22 CO 0.00 -0.91 1.54 0.39 -0.92 0.00 0.00 175.35 175.45 1b9l n GLU 23 N -0.65 -0.20 -0.08 1.68 -0.58 -1.26 -0.84 120.64 118.71 1b9l n GLU 23 Ca 0.08 1.53 -0.10 0.00 -0.42 0.00 0.00 57.16 58.25 1b9l n GLU 23 Cb 0.45 -2.28 -0.04 0.00 -0.57 0.00 0.00 31.44 29.01 1b9l n GLU 23 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1b9l h GLU 24 N 0.00 0.40 -0.90 3.49 4.81 -1.97 -0.64 114.58 119.77 1b9l h GLU 24 Ca 0.37 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1b9l h GLU 24 Cb 0.62 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1b9l h GLU 24 CO -0.99 0.48 0.59 0.93 -0.73 0.00 0.00 179.01 179.29 1b9l h GLU 25 N 0.25 1.00 0.00 1.92 5.08 -1.28 0.16 114.58 121.72 1b9l h GLU 25 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1b9l h GLU 25 Cb 0.25 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1b9l h GLU 25 CO -0.00 0.66 -0.32 -0.84 -1.00 0.00 0.00 179.01 177.51 1b9l h ILE 26 N 1.03 0.00 0.00 3.13 3.07 -0.88 -3.34 117.51 120.53 1b9l h ILE 26 Ca 0.38 -0.95 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1b9l h ILE 26 Cb 0.18 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 1b9l h ILE 26 CO -0.14 0.00 -1.20 0.59 -1.05 0.00 0.00 178.15 176.35 1b9l n ASN 27 N -2.89 0.64 -4.05 2.16 3.02 -0.26 -4.92 115.26 108.97 1b9l n ASN 27 Ca 0.03 0.20 -0.19 0.00 -0.03 0.00 0.00 54.58 54.58 1b9l n ASN 27 Cb 0.53 0.80 -0.15 0.00 -0.61 0.00 0.00 39.78 40.35 1b9l n ASN 27 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b9l s ASN 28 N -4.99 1.21 0.40 6.41 -0.87 0.43 -5.06 114.94 112.46 1b9l s ASN 28 Ca -0.01 -0.20 -0.25 0.00 -1.57 0.00 0.00 52.86 50.83 1b9l s ASN 28 Cb 0.11 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.25 41.13 1b9l s ASN 28 CO 0.81 0.12 1.12 -0.13 -2.57 0.00 0.00 177.10 176.45 1b9l s ARG 29 N -0.29 4.09 0.23 -0.60 0.52 -1.26 -4.67 118.95 116.97 1b9l s ARG 29 Ca 0.04 1.72 0.10 0.00 -0.52 0.00 0.00 55.73 57.06 1b9l s ARG 29 Cb -0.04 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1b9l s ARG 29 CO -0.00 -0.25 -0.08 -0.65 0.02 0.00 0.00 175.30 174.33 1b9l s GLN 30 N -2.36 2.08 0.06 3.54 -0.21 0.93 -4.82 119.66 118.87 1b9l s GLN 30 Ca 0.57 -1.42 -0.24 0.00 0.02 0.00 0.00 55.36 54.30 1b9l s GLN 30 Cb -0.27 -2.09 -0.06 0.00 1.00 0.00 0.00 33.01 31.59 1b9l s GLN 30 CO 0.34 0.39 0.71 -0.51 -2.12 0.00 0.00 175.29 174.10 1b9l s ASP 31 N -3.29 7.18 0.02 5.90 1.01 -1.26 -1.67 116.67 124.56 1b9l s ASP 31 Ca 0.28 1.41 -0.00 0.00 0.71 0.00 0.00 52.55 54.95 1b9l s ASP 31 Cb -0.07 -2.44 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 1b9l s ASP 31 CO 0.17 0.10 -0.03 0.27 0.21 0.00 0.00 175.17 175.89 1b9l s ILE 32 N -0.39 0.12 -0.14 0.77 -4.36 -0.82 -2.46 121.20 113.91 1b9l s ILE 32 Ca 0.35 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.81 1b9l s ILE 32 Cb -0.20 -0.32 0.02 0.00 1.25 0.00 0.00 42.46 43.20 1b9l s ILE 32 CO 0.22 -0.52 -0.18 -0.69 0.24 0.00 0.00 174.94 174.00 1b9l s VAL 33 N -1.57 1.84 -0.13 8.37 1.01 -0.28 -2.20 120.40 127.43 1b9l s VAL 33 Ca -0.15 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.94 1b9l s VAL 33 Cb -0.09 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1b9l s VAL 33 CO -0.01 0.50 0.10 -0.63 0.00 0.00 0.00 175.10 175.06 1b9l s ILE 34 N 1.11 5.13 -0.10 2.22 1.01 0.36 -0.78 121.20 130.15 1b9l s ILE 34 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 1b9l s ILE 34 Cb -0.14 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.11 1b9l s ILE 34 CO -0.06 0.57 -0.04 0.20 0.00 0.00 0.00 174.94 175.60 1b9l s ASN 35 N -0.57 1.93 -0.08 3.58 -0.87 0.16 -0.07 114.94 119.03 1b9l s ASN 35 Ca 0.12 -0.21 0.04 0.00 -1.57 0.00 0.00 52.86 51.23 1b9l s ASN 35 Cb -0.12 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.25 40.43 1b9l s ASN 35 CO 0.02 -0.15 -0.20 -0.69 -2.57 0.00 0.00 177.10 173.51 1b9l s VAL 36 N 1.82 2.51 -0.13 1.60 1.01 -0.90 -1.54 120.40 124.77 1b9l s VAL 36 Ca 0.05 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1b9l s VAL 36 Cb -0.12 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.30 1b9l s VAL 36 CO -0.07 0.56 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 1b9l s THR 37 N -0.13 1.89 -0.05 3.92 2.01 -0.00 -1.26 115.64 122.01 1b9l s THR 37 Ca -0.03 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1b9l s THR 37 Cb -0.14 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.69 1b9l s THR 37 CO 0.04 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.72 1b9l s ILE 38 N 0.90 1.23 0.11 1.82 1.01 -0.37 -0.45 121.20 125.45 1b9l s ILE 38 Ca -0.06 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.10 1b9l s ILE 38 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 1b9l s ILE 38 CO -0.02 0.37 -0.11 -1.00 0.00 0.00 0.00 174.94 174.18 1b9l s HIS 39 N 0.38 2.71 0.04 3.97 3.76 -0.16 -0.35 115.29 125.65 1b9l s HIS 39 Ca -0.10 -0.17 -0.27 0.00 -0.15 0.00 0.00 55.06 54.37 1b9l s HIS 39 Cb -0.14 -1.41 0.09 0.00 1.11 0.00 0.00 32.58 32.23 1b9l s HIS 39 CO 0.03 0.43 0.75 1.52 -0.85 0.00 0.00 174.74 176.62 1b9l s TYR 40 N -1.25 -0.47 -0.06 1.40 1.13 -0.95 -1.09 117.35 116.05 1b9l s TYR 40 Ca 0.21 0.42 -0.38 0.00 -1.41 0.00 0.00 57.07 55.92 1b9l s TYR 40 Cb -0.11 0.52 -0.16 0.00 -1.10 0.00 0.00 41.96 41.12 1b9l s TYR 40 CO 0.14 -0.66 1.55 -2.30 -2.51 0.00 0.00 175.55 171.76 1b9l n PRO 41 N -0.06 1.27 -0.17 -3.49 -0.02 -1.26 -0.29 135.00 130.98 1b9l n PRO 41 Ca -0.14 0.46 0.08 0.00 -2.02 0.00 0.00 63.50 61.89 1b9l n PRO 41 Cb 0.62 -2.14 0.39 0.00 -0.02 0.00 0.00 33.50 32.35 1b9l n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b9l h ALA 42 N 5.96 1.78 -0.39 3.55 0.00 -1.86 -2.89 119.26 125.41 1b9l h ALA 42 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1b9l h ALA 42 Cb 1.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1b9l h ALA 42 CO 0.87 0.09 0.02 0.38 0.00 0.00 0.00 179.25 180.60 1b9l h ASP 43 N 0.67 0.66 0.35 0.00 2.03 -1.91 -2.94 116.42 115.30 1b9l h ASP 43 Ca 0.32 -0.30 -0.04 0.00 -0.73 0.00 0.00 57.03 56.28 1b9l h ASP 43 Cb 0.37 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1b9l h ASP 43 CO -0.11 0.80 -0.20 0.11 -1.03 0.00 0.00 179.24 178.81 1b9l h LYS 44 N 0.51 0.00 -0.21 4.15 1.57 -1.89 -3.01 116.57 117.70 1b9l h LYS 44 Ca 0.11 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1b9l h LYS 44 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1b9l h LYS 44 CO 0.02 0.20 0.03 0.00 -0.57 0.00 0.00 179.45 179.13 1b9l h ALA 45 N 1.80 0.20 0.00 3.86 0.00 -1.41 -0.12 119.26 123.60 1b9l h ALA 45 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1b9l h ALA 45 Cb 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1b9l h ALA 45 CO 0.03 -0.40 -0.29 -0.09 0.00 0.00 0.00 179.25 178.50 1b9l h ARG 46 N 0.11 0.00 -0.72 0.00 9.65 -1.59 -2.12 114.38 119.71 1b9l h ARG 46 Ca 0.09 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.84 1b9l h ARG 46 Cb 0.09 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.60 1b9l h ARG 46 CO -0.13 0.29 0.16 2.41 2.80 0.00 0.00 179.97 185.50 1b9l n THR 47 N -3.96 2.71 0.25 0.20 -1.04 -0.88 -4.48 114.28 107.07 1b9l n THR 47 Ca -0.02 -1.43 0.11 0.00 -2.04 0.00 0.00 64.05 60.67 1b9l n THR 47 Cb 0.36 -0.35 0.62 0.00 -1.82 0.00 0.00 70.33 69.14 1b9l n THR 47 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1b9l h SER 48 N 2.98 0.00 -0.57 8.00 0.87 -0.32 -2.91 113.55 121.60 1b9l h SER 48 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1b9l h SER 48 Cb 2.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.08 1b9l h SER 48 CO 0.61 0.17 0.00 1.21 -0.53 0.00 0.00 176.83 178.29 1b9l n GLU 49 N -3.57 2.99 -0.62 2.24 4.07 -1.26 -4.45 120.64 120.03 1b9l n GLU 49 Ca -0.01 -2.52 0.01 0.00 -0.06 0.00 0.00 57.16 54.58 1b9l n GLU 49 Cb 0.31 -1.55 0.21 0.00 -0.06 0.00 0.00 31.44 30.35 1b9l n GLU 49 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1b9l n ASP 50 N 1.07 2.70 0.00 4.31 9.92 -1.10 -5.00 116.55 128.45 1b9l n ASP 50 Ca 0.20 -3.54 0.00 0.00 -0.53 0.00 0.00 54.79 50.92 1b9l n ASP 50 Cb 0.63 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1b9l n ASP 50 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1b9l n ILE 51 N -1.02 0.00 -2.95 0.53 -5.35 -1.26 -5.12 119.36 104.20 1b9l n ILE 51 Ca 0.27 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.62 1b9l n ILE 51 Cb 0.92 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.86 1b9l n ILE 51 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1b9l n ASN 52 N 0.00 -0.89 -0.15 7.28 2.04 -1.26 -4.87 115.26 117.40 1b9l n ASN 52 Ca 0.00 -3.36 0.00 0.00 -0.44 0.00 0.00 54.58 50.78 1b9l n ASN 52 Cb 0.00 0.74 0.00 0.00 -2.53 0.00 0.00 39.78 37.99 1b9l n ASN 52 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1b9l n ASP 53 N 0.39 0.00 -4.20 0.53 5.75 -1.26 -5.16 116.55 112.60 1b9l n ASP 53 Ca 0.15 -0.66 -0.35 0.00 -0.01 0.00 0.00 54.79 53.92 1b9l n ASP 53 Cb 0.68 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.86 1b9l n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b9l n ALA 54 N 0.00 -4.30 -2.67 2.12 0.00 -1.26 -4.91 120.51 109.49 1b9l n ALA 54 Ca 0.00 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 1b9l n ALA 54 Cb 0.33 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 1b9l n ALA 54 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1b9l s LEU 55 N 2.88 4.16 -0.35 0.00 0.20 -1.26 -5.01 118.68 119.29 1b9l s LEU 55 Ca 0.49 1.24 -0.02 0.00 0.69 0.00 0.00 54.13 56.52 1b9l s LEU 55 Cb -0.13 -3.32 0.08 0.00 -0.43 0.00 0.00 46.19 42.39 1b9l s LEU 55 CO 0.71 -0.47 0.10 0.21 -0.29 0.00 0.00 176.35 176.62 1b9l s ASN 56 N 1.18 5.06 0.63 3.68 3.84 -1.26 -4.95 114.94 123.12 1b9l s ASN 56 Ca 0.40 -1.70 0.36 0.00 0.21 0.00 0.00 52.86 52.14 1b9l s ASN 56 Cb -0.16 -1.76 2.06 0.00 -0.55 0.00 0.00 41.25 40.83 1b9l s ASN 56 CO 0.11 -0.40 2.26 0.10 -2.79 0.00 0.00 177.10 176.38 1b9l h TYR 57 N 7.99 0.00 -0.24 0.43 -0.00 -2.00 -0.39 116.97 122.77 1b9l h TYR 57 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.40 1b9l h TYR 57 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 1b9l h TYR 57 CO 0.57 0.00 -0.55 0.00 -0.00 0.00 0.00 178.16 178.18 1b9l h ARG 58 N 0.00 0.72 -0.14 0.10 3.08 -1.99 -2.09 114.38 114.06 1b9l h ARG 58 Ca 0.01 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.53 1b9l h ARG 58 Cb 0.12 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1b9l h ARG 58 CO -0.00 1.08 -0.19 1.15 -1.07 0.00 0.00 179.97 180.94 1b9l h THR 59 N 0.55 1.36 -0.24 2.04 2.02 -1.51 -0.29 112.91 116.84 1b9l h THR 59 Ca 0.01 -1.40 0.06 0.00 0.77 0.00 0.00 66.41 65.85 1b9l h THR 59 Cb 1.13 1.94 -0.06 0.00 -1.74 0.00 0.00 68.15 69.42 1b9l h THR 59 CO 0.11 0.41 -0.18 0.58 0.37 0.00 0.00 175.52 176.82 1b9l h VAL 60 N -0.00 0.51 -0.19 3.16 2.07 -1.43 0.73 116.25 121.09 1b9l h VAL 60 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1b9l h VAL 60 Cb 0.75 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1b9l h VAL 60 CO 0.05 0.00 0.07 0.74 0.02 0.00 0.00 177.57 178.44 1b9l h THR 61 N -0.17 0.96 -0.33 2.57 2.02 -1.35 -0.77 112.91 115.84 1b9l h THR 61 Ca 0.14 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1b9l h THR 61 Cb 0.37 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 1b9l h THR 61 CO -0.34 0.03 -0.14 0.50 0.37 0.00 0.00 175.52 175.94 1b9l h LYS 62 N 0.16 -0.08 -0.69 6.66 3.64 -0.28 -0.58 116.57 125.40 1b9l h LYS 62 Ca 0.08 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1b9l h LYS 62 Cb 0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1b9l h LYS 62 CO -0.08 -0.05 0.36 -0.91 -2.27 0.00 0.00 179.45 176.50 1b9l h ASN 63 N -0.08 0.88 0.14 4.20 2.35 -0.56 -1.44 115.58 121.07 1b9l h ASN 63 Ca 0.17 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1b9l h ASN 63 Cb 0.33 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1b9l h ASN 63 CO -0.39 0.74 -0.07 0.40 -1.65 0.00 0.00 177.43 176.47 1b9l h ILE 64 N 0.96 0.88 0.39 2.81 2.04 -0.59 -0.20 117.51 123.80 1b9l h ILE 64 Ca 0.24 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 1b9l h ILE 64 Cb 0.07 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1b9l h ILE 64 CO -0.04 0.01 -0.51 0.40 0.00 0.00 0.00 178.15 178.02 1b9l h ILE 65 N -0.21 0.00 -0.76 -0.67 2.04 -0.95 0.21 117.51 117.18 1b9l h ILE 65 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1b9l h ILE 65 Cb 0.16 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.14 1b9l h ILE 65 CO 0.03 0.00 0.28 -0.61 0.00 0.00 0.00 178.15 177.85 1b9l h GLN 66 N -0.93 0.38 -0.25 2.37 4.15 -1.24 0.19 115.11 119.79 1b9l h GLN 66 Ca -0.05 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.19 1b9l h GLN 66 Cb 0.83 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1b9l h GLN 66 CO -0.13 0.25 -0.51 1.25 -1.93 0.00 0.00 178.83 177.76 1b9l h HIS 67 N 0.39 0.86 0.02 3.99 2.76 -0.57 -2.83 115.15 119.77 1b9l h HIS 67 Ca 0.43 -0.29 -0.21 0.00 -2.20 0.00 0.00 60.37 58.09 1b9l h HIS 67 Cb 0.68 -0.17 0.02 0.00 1.55 0.00 0.00 27.41 29.49 1b9l h HIS 67 CO -0.19 1.06 -0.83 0.28 -1.30 0.00 0.00 177.93 176.96 1b9l h VAL 68 N 0.54 1.37 -0.05 5.26 2.07 0.66 -3.34 116.25 122.76 1b9l h VAL 68 Ca 0.02 -2.20 -0.15 0.00 0.82 0.00 0.00 66.70 65.20 1b9l h VAL 68 Cb 1.08 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1b9l h VAL 68 CO 0.11 0.66 -0.62 -0.33 0.02 0.00 0.00 177.57 177.40 1b9l h GLU 69 N 0.09 0.20 -0.94 1.57 5.08 -0.76 -3.27 114.58 116.55 1b9l h GLU 69 Ca -0.11 -0.14 -0.31 0.00 -1.00 0.00 0.00 59.36 57.80 1b9l h GLU 69 Cb 1.52 0.02 -0.19 0.00 0.50 0.00 0.00 28.75 30.61 1b9l h GLU 69 CO 0.16 0.75 0.40 0.09 -1.00 0.00 0.00 179.01 179.41 1b9l n ASN 70 N -3.85 3.78 -3.53 1.42 5.03 -1.07 -4.95 115.26 112.09 1b9l n ASN 70 Ca -0.02 -3.11 -0.15 0.00 0.87 0.00 0.00 54.58 52.17 1b9l n ASN 70 Cb 0.62 -0.73 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 1b9l n ASN 70 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1b9l s ASN 71 N -0.71 0.85 -0.02 6.41 -0.87 -1.24 -5.03 114.94 114.33 1b9l s ASN 71 Ca 0.43 -1.47 0.04 0.00 -1.57 0.00 0.00 52.86 50.29 1b9l s ASN 71 Cb 0.35 0.58 -0.01 0.00 -0.02 0.00 0.00 41.25 42.15 1b9l s ASN 71 CO 0.09 -1.14 -0.15 -0.13 -2.57 0.00 0.00 177.10 173.19 1b9l s ARG 72 N -3.46 1.38 -0.04 -0.60 0.52 -1.26 -4.33 118.95 111.16 1b9l s ARG 72 Ca 0.34 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 55.04 1b9l s ARG 72 Cb 0.02 -1.28 -0.00 0.00 0.52 0.00 0.00 34.95 34.20 1b9l s ARG 72 CO 0.19 0.29 -0.16 -0.06 0.02 0.00 0.00 175.30 175.58 1b9l s PHE 73 N -0.19 1.57 0.03 -0.53 0.40 0.02 -5.04 117.98 114.24 1b9l s PHE 73 Ca 0.02 -0.44 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1b9l s PHE 73 Cb -0.08 -1.07 -0.33 0.00 0.51 0.00 0.00 43.02 42.05 1b9l s PHE 73 CO 0.00 -0.15 1.00 0.66 0.70 0.00 0.00 175.22 177.43 1b9l h SER 74 N 6.25 0.71 -4.75 1.36 4.64 -1.84 -0.74 113.55 119.18 1b9l h SER 74 Ca -0.33 -0.79 -0.25 0.00 -0.47 0.00 0.00 61.79 59.96 1b9l h SER 74 Cb 1.17 -0.23 -0.19 0.00 -0.31 0.00 0.00 62.40 62.84 1b9l h SER 74 CO 0.48 1.62 -0.72 -0.76 -0.87 0.00 0.00 176.83 176.58 1b9l s LEU 75 N -7.43 2.34 0.22 5.97 1.02 -1.26 -3.54 118.68 115.99 1b9l s LEU 75 Ca -0.08 -0.69 -0.09 0.00 0.02 0.00 0.00 54.13 53.28 1b9l s LEU 75 Cb 0.05 -0.11 0.18 0.00 0.02 0.00 0.00 46.19 46.32 1b9l s LEU 75 CO 0.92 -0.30 1.89 -0.07 0.02 0.00 0.00 176.35 178.81 1b9l h LEU 76 N 4.02 0.94 -0.43 1.79 3.38 -1.98 -2.64 115.31 120.39 1b9l h LEU 76 Ca -0.35 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1b9l h LEU 76 Cb 1.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1b9l h LEU 76 CO 0.48 0.69 0.16 -0.33 0.09 0.00 0.00 178.44 179.53 1b9l h GLU 77 N 1.10 0.32 0.01 1.13 3.07 -1.98 0.43 114.58 118.65 1b9l h GLU 77 Ca 0.29 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1b9l h GLU 77 Cb -0.11 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 1b9l h GLU 77 CO -0.06 0.21 -0.00 0.87 -1.40 0.00 0.00 179.01 178.63 1b9l h LYS 78 N 0.33 -0.01 -0.30 2.33 1.79 -1.90 -0.51 116.57 118.30 1b9l h LYS 78 Ca 0.20 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1b9l h LYS 78 Cb 0.18 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1b9l h LYS 78 CO -0.20 0.01 0.11 1.25 -1.08 0.00 0.00 179.45 179.55 1b9l h LEU 79 N -0.03 0.14 -0.32 2.94 5.85 -1.07 -1.16 115.31 121.65 1b9l h LEU 79 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1b9l h LEU 79 Cb 0.03 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1b9l h LEU 79 CO 0.00 0.12 0.20 0.74 -0.34 0.00 0.00 178.44 179.16 1b9l h THR 80 N 0.25 1.10 0.09 1.05 2.02 0.10 -2.49 112.91 115.04 1b9l h THR 80 Ca 0.13 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1b9l h THR 80 Cb 0.09 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1b9l h THR 80 CO -0.13 0.10 -0.20 -0.61 0.37 0.00 0.00 175.52 175.05 1b9l h GLN 81 N 0.42 -0.36 -0.63 6.66 5.75 -0.77 -0.32 115.11 125.86 1b9l h GLN 81 Ca 0.12 0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.77 1b9l h GLN 81 Cb -0.01 0.08 -0.12 0.00 1.07 0.00 0.00 27.48 28.50 1b9l h GLN 81 CO -0.02 -0.24 -0.19 -0.44 -2.65 0.00 0.00 178.83 175.28 1b9l h ASP 82 N -0.38 -0.70 -0.65 -0.69 5.19 -1.01 0.19 116.42 118.37 1b9l h ASP 82 Ca 0.03 0.20 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 1b9l h ASP 82 Cb 0.41 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 40.32 1b9l h ASP 82 CO -0.12 -0.23 0.25 0.58 -3.12 0.00 0.00 179.24 176.59 1b9l h VAL 83 N -0.04 1.24 -0.79 -1.35 2.07 -0.96 -0.75 116.25 115.66 1b9l h VAL 83 Ca 0.29 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1b9l h VAL 83 Cb 0.49 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1b9l h VAL 83 CO -0.66 0.30 0.50 0.25 0.02 0.00 0.00 177.57 177.97 1b9l h LEU 84 N 0.91 0.82 -0.31 2.57 5.85 0.80 0.54 115.31 126.49 1b9l h LEU 84 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1b9l h LEU 84 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1b9l h LEU 84 CO -0.02 0.56 0.20 0.44 -0.34 0.00 0.00 178.44 179.28 1b9l h ASP 85 N 0.97 0.36 -0.66 1.25 3.32 0.22 -1.12 116.42 120.76 1b9l h ASP 85 Ca 0.32 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.39 1b9l h ASP 85 Cb 0.04 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1b9l h ASP 85 CO -0.12 0.28 0.44 0.40 -1.72 0.00 0.00 179.24 178.51 1b9l h ILE 86 N 0.41 1.06 0.10 0.35 2.04 -0.51 -2.29 117.51 118.67 1b9l h ILE 86 Ca 0.11 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1b9l h ILE 86 Cb -0.02 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1b9l h ILE 86 CO -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.21 1b9l h ALA 87 N 1.63 -0.13 -0.09 1.87 0.00 0.10 -3.23 119.26 119.41 1b9l h ALA 87 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b9l h ALA 87 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1b9l h ALA 87 CO -0.08 -0.37 0.00 2.89 0.00 0.00 0.00 179.25 181.69 1b9l n ARG 88 N -4.96 1.22 -0.29 0.00 1.85 -0.52 -4.15 116.66 109.80 1b9l n ARG 88 Ca -0.09 -0.34 0.00 0.00 -1.00 0.00 0.00 57.85 56.42 1b9l n ARG 88 Cb 0.23 -1.10 0.13 0.00 -1.05 0.00 0.00 32.46 30.68 1b9l n ARG 88 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1b9l h GLU 89 N 0.57 0.89 -6.70 2.89 4.81 -1.43 -3.43 114.58 112.17 1b9l h GLU 89 Ca 0.00 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.65 1b9l h GLU 89 Cb 0.13 -0.20 0.04 0.00 0.63 0.00 0.00 28.75 29.35 1b9l h GLU 89 CO 0.00 0.59 0.68 -1.58 -0.73 0.00 0.00 179.01 177.97 1b9l s HIS 90 N -6.07 3.18 -1.18 0.92 2.46 -1.26 -4.92 115.29 108.42 1b9l s HIS 90 Ca -0.13 1.17 0.00 0.00 0.47 0.00 0.00 55.06 56.57 1b9l s HIS 90 Cb 0.18 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 1b9l s HIS 90 CO 0.78 -2.10 0.87 -2.39 -2.47 0.00 0.00 174.74 169.43 1b9l n HIS 91 N 2.50 0.00 0.43 3.88 1.44 -1.26 -1.67 115.22 120.53 1b9l n HIS 91 Ca 0.06 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.89 1b9l n HIS 91 Cb 0.42 -0.37 0.03 0.00 0.12 0.00 0.00 29.99 30.19 1b9l n HIS 91 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1b9l n TRP 92 N -1.37 0.45 -1.82 -1.40 7.02 -1.26 -4.91 117.44 114.16 1b9l n TRP 92 Ca 0.00 0.13 -0.43 0.00 -1.02 0.00 0.00 57.50 56.19 1b9l n TRP 92 Cb 0.01 -0.60 -0.03 0.00 -2.42 0.00 0.00 31.31 28.28 1b9l n TRP 92 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 1b9l s VAL 93 N -3.25 3.27 -0.07 -0.99 1.01 -0.67 -4.28 120.40 115.43 1b9l s VAL 93 Ca 0.02 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1b9l s VAL 93 Cb 0.13 -3.29 -0.29 0.00 0.00 0.00 0.00 36.38 32.93 1b9l s VAL 93 CO 0.79 -0.13 0.70 0.74 0.00 0.00 0.00 175.10 177.20 1b9l h THR 94 N 6.41 1.16 -3.25 3.92 2.02 -1.43 -3.46 112.91 118.28 1b9l h THR 94 Ca -0.40 -2.48 -0.12 0.00 0.77 0.00 0.00 66.41 64.19 1b9l h THR 94 Cb 1.20 2.87 -0.19 0.00 -1.74 0.00 0.00 68.15 70.30 1b9l h THR 94 CO 0.97 0.74 -0.32 -0.47 0.37 0.00 0.00 175.52 176.81 1b9l s TYR 95 N -2.49 -0.09 -0.15 3.16 5.04 -1.22 -1.52 117.35 120.07 1b9l s TYR 95 Ca -0.17 0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.38 1b9l s TYR 95 Cb 0.04 0.05 0.04 0.00 0.35 0.00 0.00 41.96 42.44 1b9l s TYR 95 CO 0.81 -0.40 0.40 0.00 -1.34 0.00 0.00 175.55 175.02 1b9l s ALA 96 N -1.79 -1.00 0.00 3.97 0.00 -0.53 -0.99 121.76 121.43 1b9l s ALA 96 Ca -0.11 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1b9l s ALA 96 Cb -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 1b9l s ALA 96 CO 0.01 -0.20 -0.08 -2.00 0.00 0.00 0.00 175.76 173.49 1b9l s GLU 97 N 0.34 0.62 -0.08 0.00 2.12 0.41 -0.81 118.70 121.29 1b9l s GLU 97 Ca -0.01 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 54.93 1b9l s GLU 97 Cb -0.03 -0.58 0.04 0.00 0.26 0.00 0.00 34.13 33.82 1b9l s GLU 97 CO -0.01 0.15 0.07 0.08 -0.54 0.00 0.00 175.26 175.02 1b9l s VAL 98 N -0.36 -0.11 -0.12 3.70 1.01 -0.40 -0.82 120.40 123.29 1b9l s VAL 98 Ca 0.01 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1b9l s VAL 98 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1b9l s VAL 98 CO -0.00 0.06 -0.11 -0.70 0.00 0.00 0.00 175.10 174.35 1b9l s GLU 99 N 2.17 3.26 -0.17 2.72 2.12 -0.59 -2.27 118.70 125.94 1b9l s GLU 99 Ca 0.04 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.73 1b9l s GLU 99 Cb -0.13 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.65 1b9l s GLU 99 CO -0.05 0.31 -0.10 0.42 -0.54 0.00 0.00 175.26 175.31 1b9l s ILE 100 N 0.11 1.43 -0.11 -3.70 1.01 -0.51 -0.67 121.20 118.76 1b9l s ILE 100 Ca -0.05 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1b9l s ILE 100 Cb -0.14 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1b9l s ILE 100 CO 0.04 0.26 0.60 -1.81 0.00 0.00 0.00 174.94 174.03 1b9l s ASP 101 N 1.51 6.81 -0.63 3.58 1.11 0.04 -1.95 116.67 127.13 1b9l s ASP 101 Ca 0.02 0.97 -0.11 0.00 0.18 0.00 0.00 52.55 53.60 1b9l s ASP 101 Cb -0.15 -2.35 0.16 0.00 1.07 0.00 0.00 42.92 41.66 1b9l s ASP 101 CO -0.09 -0.10 0.53 -0.75 1.18 0.00 0.00 175.17 175.94 1b9l s LYS 102 N 0.95 2.97 0.21 8.23 2.20 0.10 -1.13 119.74 133.28 1b9l s LYS 102 Ca 0.31 -2.11 -0.32 0.00 -0.36 0.00 0.00 55.97 53.49 1b9l s LYS 102 Cb -0.16 -4.14 -0.13 0.00 -1.51 0.00 0.00 37.83 31.88 1b9l s LYS 102 CO 0.13 -1.25 1.51 1.28 -0.36 0.00 0.00 175.35 176.66 1b9l n LEU 103 N 4.45 3.28 -3.88 5.43 4.32 -1.03 -3.10 117.00 126.46 1b9l n LEU 103 Ca 0.00 1.11 -0.36 0.00 -0.02 0.00 0.00 56.01 56.75 1b9l n LEU 103 Cb 0.42 -1.45 0.02 0.00 -1.62 0.00 0.00 43.42 40.79 1b9l n LEU 103 CO 0.41 -0.31 -0.15 1.41 -1.22 0.00 0.00 177.39 177.54 1b9l n HIS 104 N 2.65 -1.67 -0.03 -1.77 8.25 -0.77 -4.80 115.22 117.08 1b9l n HIS 104 Ca 0.14 0.37 -0.12 0.00 -0.26 0.00 0.00 57.72 57.85 1b9l n HIS 104 Cb 0.31 -3.23 -0.14 0.00 1.12 0.00 0.00 29.99 28.05 1b9l n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b9l n ALA 105 N -4.53 1.37 -2.63 -1.41 0.00 -1.21 -4.83 120.51 107.27 1b9l n ALA 105 Ca -0.14 -0.82 -0.34 0.00 0.00 0.00 0.00 53.44 52.14 1b9l n ALA 105 Cb 0.60 -0.70 -0.11 0.00 0.00 0.00 0.00 19.45 19.24 1b9l n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b9l s LEU 106 N -6.22 3.18 0.40 0.00 2.01 -1.26 -5.06 118.68 111.72 1b9l s LEU 106 Ca -0.10 -0.03 -0.24 0.00 0.01 0.00 0.00 54.13 53.76 1b9l s LEU 106 Cb 0.07 -1.70 -0.09 0.00 0.01 0.00 0.00 46.19 44.49 1b9l s LEU 106 CO 0.81 0.34 1.06 0.00 1.01 0.00 0.00 176.35 179.56 1b9l s ARG 107 N -0.67 4.14 0.00 1.70 1.70 -1.26 -2.90 118.95 121.65 1b9l s ARG 107 Ca 0.10 1.53 0.00 0.00 -0.47 0.00 0.00 55.73 56.90 1b9l s ARG 107 Cb -0.11 -2.54 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 1b9l s ARG 107 CO 0.02 -0.17 0.00 0.66 -1.08 0.00 0.00 175.30 174.73 1b9l n TYR 108 N -0.09 0.00 -4.82 5.89 4.01 -1.26 -5.01 117.16 115.89 1b9l n TYR 108 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 1b9l n TYR 108 Cb 0.49 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.36 1b9l n TYR 108 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b9l s ALA 109 N -3.96 1.48 0.40 -0.72 0.00 -1.14 -5.04 121.76 112.77 1b9l s ALA 109 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 51.96 51.40 1b9l s ALA 109 Cb 0.00 -0.46 0.98 0.00 0.00 0.00 0.00 23.12 23.64 1b9l s ALA 109 CO 0.00 0.29 1.88 -0.44 0.00 0.00 0.00 175.76 177.49 1b9l h ASP 110 N 6.10 0.49 0.00 0.00 5.19 -1.95 -3.39 116.42 122.86 1b9l h ASP 110 Ca -0.34 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 1b9l h ASP 110 Cb 1.17 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1b9l h ASP 110 CO 0.48 0.23 0.00 -1.54 -3.12 0.00 0.00 179.24 175.29 1b9l n SER 111 N -4.52 0.00 -3.91 6.45 3.41 -1.26 -1.85 113.62 111.93 1b9l n SER 111 Ca 0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 1b9l n SER 111 Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 1b9l n SER 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b9l s VAL 112 N -2.22 0.21 0.21 -3.33 0.11 -1.18 -4.90 120.40 109.30 1b9l s VAL 112 Ca 0.00 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 1b9l s VAL 112 Cb 0.00 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.62 1b9l s VAL 112 CO 0.00 0.06 -0.10 -0.94 -3.33 0.00 0.00 175.10 170.79 1b9l s SER 113 N -0.06 2.32 -0.09 3.54 1.04 -1.26 -0.72 113.70 118.46 1b9l s SER 113 Ca 0.01 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.38 1b9l s SER 113 Cb -0.01 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1b9l s SER 113 CO -0.00 -0.28 -0.14 -0.32 0.98 0.00 0.00 173.24 173.48 1b9l s MET 114 N -3.71 1.99 -0.04 4.02 1.75 -0.82 -4.95 119.30 117.54 1b9l s MET 114 Ca 0.23 -0.49 0.07 0.00 -1.25 0.00 0.00 55.69 54.25 1b9l s MET 114 Cb 0.02 -1.69 -0.02 0.00 2.84 0.00 0.00 34.83 35.98 1b9l s MET 114 CO 0.06 -0.03 -0.24 0.99 -0.65 0.00 0.00 175.02 175.15 1b9l s THR 115 N 0.90 2.23 -0.00 10.11 2.01 -1.26 -1.42 115.64 128.20 1b9l s THR 115 Ca -0.09 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.85 1b9l s THR 115 Cb -0.15 -1.80 -0.00 0.00 0.01 0.00 0.00 72.50 70.55 1b9l s THR 115 CO 0.00 0.58 0.05 -0.76 -0.69 0.00 0.00 174.62 173.81 1b9l s LEU 116 N -0.49 1.87 0.23 4.42 1.43 -0.96 -5.00 118.68 120.18 1b9l s LEU 116 Ca 0.06 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1b9l s LEU 116 Cb -0.11 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.38 1b9l s LEU 116 CO 0.01 -0.22 0.13 -0.94 0.23 0.00 0.00 176.35 175.56 1b9l s SER 117 N -0.90 0.68 -0.11 2.29 1.04 -1.26 -1.28 113.70 114.16 1b9l s SER 117 Ca -0.10 -1.42 -0.10 0.00 0.48 0.00 0.00 55.95 54.81 1b9l s SER 117 Cb -0.06 0.32 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1b9l s SER 117 CO 0.00 -0.82 0.29 0.86 0.98 0.00 0.00 173.24 174.55 1b9l s TRP 118 N -3.95 -0.32 0.39 5.02 -0.00 0.01 -4.99 118.94 115.10 1b9l s TRP 118 Ca 0.38 0.78 0.08 0.00 -0.00 0.00 0.00 56.10 57.34 1b9l s TRP 118 Cb 0.07 0.11 -0.04 0.00 -0.00 0.00 0.00 33.47 33.61 1b9l s TRP 118 CO 0.14 -0.16 0.22 -0.65 -0.00 0.00 0.00 176.95 176.51 1b9l s GLN 119 N 0.20 2.37 0.00 5.86 -1.52 -1.26 -1.46 119.66 123.85 1b9l s GLN 119 Ca -0.00 -1.65 0.00 0.00 -1.95 0.00 0.00 55.36 51.76 1b9l s GLN 119 Cb -0.02 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.60 1b9l s GLN 119 CO -0.00 -0.06 0.00 0.54 -0.25 0.00 0.00 175.29 175.52