#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 0.58 -0.44 0.00 -0.06 -1.26 -5.09 117.38 111.11 1b9l n GLN 3 Ca 0.00 -2.22 0.00 0.00 -2.00 0.00 0.00 57.00 52.78 1b9l n GLN 3 Cb 0.00 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 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 2.40 0.00 -3.57 3.69 -0.02 -1.26 -4.74 135.00 131.50 1b9l n PRO 4 Ca 0.17 -0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 1b9l n PRO 4 Cb 0.57 -0.97 -0.12 0.00 -0.02 0.00 0.00 33.50 32.96 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 0.97 -0.64 -0.09 3.55 0.00 -1.26 -3.04 121.76 121.25 1b9l s ALA 5 Ca 0.00 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.62 1b9l s ALA 5 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 1b9l s ALA 5 CO 0.00 -0.90 0.44 0.00 0.00 0.00 0.00 175.76 175.30 1b9l s ALA 6 N 2.44 3.55 -0.22 0.00 0.00 0.20 -4.75 121.76 122.98 1b9l s ALA 6 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 1b9l s ALA 6 Cb -0.13 -2.55 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 1b9l s ALA 6 CO -0.11 0.15 -0.06 0.42 0.00 0.00 0.00 175.76 176.16 1b9l s ILE 7 N 0.11 3.24 -0.15 0.00 1.01 -1.26 -0.97 121.20 123.18 1b9l s ILE 7 Ca 0.24 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1b9l s ILE 7 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1b9l s ILE 7 CO 0.10 0.42 0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1b9l s ILE 8 N 1.46 4.65 -0.09 2.92 1.01 0.27 -4.95 121.20 126.47 1b9l s ILE 8 Ca 0.05 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1b9l s ILE 8 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1b9l s ILE 8 CO -0.04 0.51 -0.16 -0.13 0.00 0.00 0.00 174.94 175.12 1b9l s ARG 9 N -0.05 2.20 -0.40 2.79 0.52 -1.26 -0.96 118.95 121.79 1b9l s ARG 9 Ca 0.05 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.58 1b9l s ARG 9 Cb -0.12 -1.78 0.04 0.00 0.52 0.00 0.00 34.95 33.61 1b9l s ARG 9 CO 0.01 0.03 0.25 0.42 0.02 0.00 0.00 175.30 176.04 1b9l s ILE 10 N 0.70 4.65 -0.16 1.52 1.01 0.11 -4.98 121.20 124.05 1b9l s ILE 10 Ca -0.13 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 59.36 1b9l s ILE 10 Cb -0.16 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1b9l s ILE 10 CO 0.03 -0.35 0.42 -0.54 0.00 0.00 0.00 174.94 174.50 1b9l s LYS 11 N 1.55 4.27 -1.23 2.79 1.02 -1.26 -1.78 119.74 125.10 1b9l s LYS 11 Ca 0.03 0.31 -0.26 0.00 0.02 0.00 0.00 55.97 56.07 1b9l s LYS 11 Cb -0.21 -3.47 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1b9l s LYS 11 CO 0.06 0.10 0.65 0.09 -0.92 0.00 0.00 175.35 175.32 1b9l n ASN 12 N 3.96 -3.84 -4.60 2.83 5.03 -1.22 -4.88 115.26 112.54 1b9l n ASN 12 Ca -0.08 -1.19 -0.43 0.00 0.87 0.00 0.00 54.58 53.75 1b9l n ASN 12 Cb 0.51 -2.28 -0.02 0.00 -1.02 0.00 0.00 39.78 36.97 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 -7.13 3.54 -0.32 3.41 2.96 -0.03 -4.82 118.68 116.29 1b9l s LEU 13 Ca 0.42 0.82 -0.20 0.00 -0.22 0.00 0.00 54.13 54.95 1b9l s LEU 13 Cb -0.20 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 1b9l s LEU 13 CO 0.94 -1.53 0.59 -0.13 -1.32 0.00 0.00 176.35 174.90 1b9l s ARG 14 N 5.17 3.80 0.18 1.98 0.52 -1.26 -1.17 118.95 128.17 1b9l s ARG 14 Ca 0.63 0.14 0.01 0.00 -0.52 0.00 0.00 55.73 55.99 1b9l s ARG 14 Cb -0.14 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 1b9l s ARG 14 CO 0.32 -0.61 0.04 -0.51 0.02 0.00 0.00 175.30 174.56 1b9l s LEU 15 N 2.56 1.90 -0.04 2.53 1.02 -0.93 -5.04 118.68 120.69 1b9l s LEU 15 Ca 0.23 -1.23 0.04 0.00 0.02 0.00 0.00 54.13 53.19 1b9l s LEU 15 Cb -0.15 0.05 -0.00 0.00 0.02 0.00 0.00 46.19 46.11 1b9l s LEU 15 CO 0.13 -0.65 -0.17 -0.13 0.02 0.00 0.00 176.35 175.55 1b9l s ARG 16 N -3.98 1.81 0.31 1.70 0.52 -1.26 -1.41 118.95 116.64 1b9l s ARG 16 Ca 0.28 -0.61 -0.10 0.00 -0.52 0.00 0.00 55.73 54.78 1b9l s ARG 16 Cb 0.07 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 34.01 1b9l s ARG 16 CO 0.06 0.24 0.58 -2.37 0.02 0.00 0.00 175.30 173.82 1b9l n THR 17 N 3.17 0.00 -3.47 0.02 5.66 -0.54 -4.69 114.28 114.42 1b9l n THR 17 Ca -0.18 -0.91 -0.38 0.00 -3.05 0.00 0.00 64.05 59.53 1b9l n THR 17 Cb 0.53 0.80 -0.09 0.00 -1.55 0.00 0.00 70.33 70.02 1b9l n THR 17 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1b9l s PHE 18 N -3.57 3.31 -0.05 1.09 0.08 -1.26 0.01 117.98 117.59 1b9l s PHE 18 Ca 0.15 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.60 1b9l s PHE 18 Cb -0.03 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.99 1b9l s PHE 18 CO 0.11 -0.06 0.04 0.42 -0.10 0.00 0.00 175.22 175.62 1b9l s ILE 19 N 1.49 0.06 -2.90 0.64 1.01 -1.25 -1.45 121.20 118.80 1b9l s ILE 19 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1b9l s ILE 19 Cb -0.15 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1b9l s ILE 19 CO 0.08 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1b9l n GLY 20 N 5.16 0.92 0.00 6.18 0.00 -0.42 -4.72 105.19 112.32 1b9l n GLY 20 Ca -0.06 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.56 0.00 -2.23 -0.61 -0.00 -1.26 -4.44 119.36 110.25 1b9l n ILE 21 Ca 0.00 -0.10 -0.37 0.00 -0.00 0.00 0.00 62.75 62.28 1b9l n ILE 21 Cb 0.00 0.53 -0.01 0.00 -0.00 0.00 0.00 39.64 40.16 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 -0.90 3.74 0.19 6.28 1.02 -1.26 -4.80 119.74 124.00 1b9l s LYS 22 Ca 0.00 1.80 -0.20 0.00 0.02 0.00 0.00 55.97 57.59 1b9l s LYS 22 Cb 0.00 -2.41 0.12 0.00 -0.52 0.00 0.00 37.83 35.02 1b9l s LYS 22 CO 0.00 -0.58 1.40 0.39 -0.92 0.00 0.00 175.35 175.64 1b9l n GLU 23 N -0.50 -0.28 -0.08 1.68 -0.58 -1.26 -1.38 120.64 118.25 1b9l n GLU 23 Ca 0.07 1.38 -0.09 0.00 -0.42 0.00 0.00 57.16 58.11 1b9l n GLU 23 Cb 0.48 -2.05 -0.01 0.00 -0.57 0.00 0.00 31.44 29.29 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 0.34 -0.48 3.49 4.81 -1.98 -1.44 114.58 119.32 1b9l h GLU 24 Ca 0.25 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1b9l h GLU 24 Cb 0.48 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1b9l h GLU 24 CO -0.88 0.22 0.25 0.93 -0.73 0.00 0.00 179.01 178.80 1b9l h GLU 25 N 0.35 0.66 0.00 1.92 5.08 -1.48 0.16 114.58 121.26 1b9l h GLU 25 Ca 0.11 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1b9l h GLU 25 Cb -0.00 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1b9l h GLU 25 CO -0.05 0.49 -0.32 -0.84 -1.00 0.00 0.00 179.01 177.29 1b9l h ILE 26 N 0.66 0.12 0.00 3.13 3.07 -1.20 -3.34 117.51 119.96 1b9l h ILE 26 Ca 0.17 -1.18 -0.26 0.00 1.55 0.00 0.00 64.86 65.14 1b9l h ILE 26 Cb 0.04 1.95 -0.04 0.00 -0.27 0.00 0.00 36.82 38.49 1b9l h ILE 26 CO -0.03 0.07 -1.53 0.78 -1.05 0.00 0.00 178.15 176.39 1b9l h ASN 27 N 0.00 0.00 -3.69 2.16 2.35 -0.23 -3.47 115.58 112.71 1b9l h ASN 27 Ca -0.01 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.18 1b9l h ASN 27 Cb 1.06 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.11 1b9l h ASN 27 CO 0.01 0.95 -0.84 0.20 -1.65 0.00 0.00 177.43 176.10 1b9l s ASN 28 N -6.17 2.18 0.46 5.81 0.02 0.47 -5.08 114.94 112.63 1b9l s ASN 28 Ca -0.03 -0.37 -0.23 0.00 -1.02 0.00 0.00 52.86 51.22 1b9l s ASN 28 Cb 0.08 -0.77 -0.08 0.00 0.02 0.00 0.00 41.25 40.51 1b9l s ASN 28 CO 0.82 0.12 1.13 -0.13 0.02 0.00 0.00 177.10 179.06 1b9l s ARG 29 N 0.25 3.79 0.36 -0.60 0.52 -1.26 -4.62 118.95 117.38 1b9l s ARG 29 Ca -0.09 1.68 0.08 0.00 -0.52 0.00 0.00 55.73 56.89 1b9l s ARG 29 Cb -0.14 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 1b9l s ARG 29 CO 0.04 -0.51 0.07 -0.65 0.02 0.00 0.00 175.30 174.27 1b9l s GLN 30 N -2.76 2.15 -0.03 3.54 -0.21 0.10 -4.81 119.66 117.64 1b9l s GLN 30 Ca 0.64 -1.75 -0.19 0.00 0.02 0.00 0.00 55.36 54.08 1b9l s GLN 30 Cb -0.26 -1.97 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1b9l s GLN 30 CO 0.32 0.07 0.53 -0.51 -2.12 0.00 0.00 175.29 173.58 1b9l s ASP 31 N -3.77 6.88 0.04 5.90 1.01 -1.26 -1.47 116.67 123.99 1b9l s ASP 31 Ca 0.36 1.04 0.02 0.00 0.71 0.00 0.00 52.55 54.68 1b9l s ASP 31 Cb 0.01 -2.32 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 1b9l s ASP 31 CO 0.20 0.12 -0.07 0.27 0.21 0.00 0.00 175.17 175.91 1b9l s ILE 32 N -0.18 0.44 -0.10 0.77 -4.36 -0.50 -2.36 121.20 114.92 1b9l s ILE 32 Ca 0.28 -1.09 0.03 0.00 -0.26 0.00 0.00 60.65 59.62 1b9l s ILE 32 Cb -0.17 -0.59 0.01 0.00 1.25 0.00 0.00 42.46 42.96 1b9l s ILE 32 CO 0.15 -0.44 -0.19 -0.69 0.24 0.00 0.00 174.94 174.01 1b9l s VAL 33 N -1.53 1.74 -0.10 8.37 1.01 -0.85 -2.18 120.40 126.86 1b9l s VAL 33 Ca -0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.06 1b9l s VAL 33 Cb -0.09 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1b9l s VAL 33 CO -0.00 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1b9l s ILE 34 N 0.59 3.51 -0.05 2.22 1.01 -0.32 -0.88 121.20 127.27 1b9l s ILE 34 Ca -0.14 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1b9l s ILE 34 Cb -0.17 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1b9l s ILE 34 CO 0.05 0.56 -0.16 0.20 0.00 0.00 0.00 174.94 175.58 1b9l s ASN 35 N -0.26 2.08 -0.06 3.58 -0.87 -0.49 -0.85 114.94 118.07 1b9l s ASN 35 Ca 0.03 -0.35 0.03 0.00 -1.57 0.00 0.00 52.86 51.00 1b9l s ASN 35 Cb -0.13 -0.72 0.01 0.00 -0.02 0.00 0.00 41.25 40.39 1b9l s ASN 35 CO 0.03 0.11 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.84 1b9l s VAL 36 N 0.26 1.28 -0.12 1.60 1.01 -0.73 -1.44 120.40 122.25 1b9l s VAL 36 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1b9l s VAL 36 Cb -0.13 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1b9l s VAL 36 CO 0.03 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 174.43 1b9l s THR 37 N 0.42 1.84 -0.07 3.92 2.01 -0.59 -0.71 115.64 122.45 1b9l s THR 37 Ca -0.11 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1b9l s THR 37 Cb -0.14 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.75 1b9l s THR 37 CO 0.04 0.51 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 1b9l s ILE 38 N 0.78 0.83 0.08 1.82 1.01 -0.13 -1.26 121.20 124.33 1b9l s ILE 38 Ca -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1b9l s ILE 38 Cb -0.16 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1b9l s ILE 38 CO 0.00 0.31 0.13 -1.00 0.00 0.00 0.00 174.94 174.38 1b9l s HIS 39 N 1.19 3.30 -0.04 3.97 3.76 -0.09 -0.57 115.29 126.82 1b9l s HIS 39 Ca -0.06 0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.69 1b9l s HIS 39 Cb -0.14 -1.66 0.10 0.00 1.11 0.00 0.00 32.58 31.99 1b9l s HIS 39 CO -0.02 0.54 0.82 1.52 -0.85 0.00 0.00 174.74 176.76 1b9l s TYR 40 N -1.47 -0.47 -0.37 1.40 1.13 -0.15 -2.14 117.35 115.29 1b9l s TYR 40 Ca 0.31 0.61 -0.44 0.00 -1.41 0.00 0.00 57.07 56.15 1b9l s TYR 40 Cb -0.12 0.48 -0.18 0.00 -1.10 0.00 0.00 41.96 41.03 1b9l s TYR 40 CO 0.24 -0.54 1.62 -2.30 -2.51 0.00 0.00 175.55 172.06 1b9l n PRO 41 N 0.36 0.48 -0.12 -3.49 -0.02 -1.26 0.59 135.00 131.54 1b9l n PRO 41 Ca -0.13 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.55 1b9l n PRO 41 Cb 0.60 -1.75 0.33 0.00 -0.02 0.00 0.00 33.50 32.65 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 5.72 1.58 -0.48 3.55 0.00 -1.83 -2.78 119.26 125.03 1b9l h ALA 42 Ca -0.45 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1b9l h ALA 42 Cb 1.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1b9l h ALA 42 CO 0.95 0.38 0.11 0.38 0.00 0.00 0.00 179.25 181.08 1b9l h ASP 43 N 0.80 0.73 0.54 0.00 2.03 -1.90 -2.70 116.42 115.92 1b9l h ASP 43 Ca 0.22 -0.23 -0.04 0.00 -0.73 0.00 0.00 57.03 56.25 1b9l h ASP 43 Cb -0.08 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.22 1b9l h ASP 43 CO -0.05 0.77 -0.19 0.11 -1.03 0.00 0.00 179.24 178.85 1b9l h LYS 44 N 0.65 0.00 -0.69 4.15 1.57 -1.89 -3.12 116.57 117.24 1b9l h LYS 44 Ca 0.15 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.02 1b9l h LYS 44 Cb 0.33 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.57 1b9l h LYS 44 CO 0.00 0.19 0.34 0.00 -0.57 0.00 0.00 179.45 179.41 1b9l h ALA 45 N 1.81 0.94 0.00 3.86 0.00 -1.22 -1.13 119.26 123.52 1b9l h ALA 45 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1b9l h ALA 45 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1b9l h ALA 45 CO 0.03 -0.06 0.00 -2.13 0.00 0.00 0.00 179.25 177.09 1b9l n ARG 46 N -4.87 0.70 0.00 0.00 3.00 -1.18 -3.47 116.66 110.84 1b9l n ARG 46 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1b9l n ARG 46 Cb 0.26 -1.29 0.00 0.00 0.00 0.00 0.00 32.46 31.43 1b9l n ARG 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1b9l n THR 47 N 0.04 0.11 0.47 5.15 -1.04 -0.43 -4.82 114.28 113.76 1b9l n THR 47 Ca 0.00 -0.37 0.04 0.00 -2.04 0.00 0.00 64.05 61.68 1b9l n THR 47 Cb 0.15 1.25 0.23 0.00 -1.82 0.00 0.00 70.33 70.13 1b9l n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1b9l n SER 48 N -0.05 0.00 -0.04 8.00 2.88 -1.23 -1.59 113.62 121.58 1b9l n SER 48 Ca 0.00 -0.14 0.01 0.00 -1.33 0.00 0.00 58.87 57.41 1b9l n SER 48 Cb 0.13 -0.07 -0.14 0.00 -0.75 0.00 0.00 64.21 63.37 1b9l n SER 48 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1b9l n GLU 49 N -1.07 0.83 -0.03 -1.46 0.00 -1.26 -4.55 120.64 113.10 1b9l n GLU 49 Ca 0.05 -0.10 -0.21 0.00 0.00 0.00 0.00 57.16 56.90 1b9l n GLU 49 Cb 0.04 -1.45 -0.13 0.00 0.00 0.00 0.00 31.44 29.90 1b9l n GLU 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 1b9l h ASP 50 N 0.00 0.26 -2.41 -1.84 1.82 -1.71 -3.48 116.42 109.06 1b9l h ASP 50 Ca -0.22 -0.77 -0.49 0.00 -0.39 0.00 0.00 57.03 55.16 1b9l h ASP 50 Cb 1.42 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 41.33 1b9l h ASP 50 CO 0.01 1.64 -0.40 0.27 -1.61 0.00 0.00 179.24 179.15 1b9l s ILE 51 N -2.46 5.25 -0.20 2.25 -4.36 -0.62 -5.05 121.20 116.02 1b9l s ILE 51 Ca -0.24 -0.79 0.07 0.00 -0.26 0.00 0.00 60.65 59.43 1b9l s ILE 51 Cb 0.05 -3.82 0.16 0.00 1.25 0.00 0.00 42.46 40.10 1b9l s ILE 51 CO 0.71 -0.28 1.11 -0.46 0.24 0.00 0.00 174.94 176.26 1b9l n ASN 52 N -1.16 2.37 -1.37 4.36 6.94 -1.26 -4.38 115.26 120.76 1b9l n ASN 52 Ca -0.08 -2.32 0.12 0.00 -0.02 0.00 0.00 54.58 52.28 1b9l n ASN 52 Cb 0.56 -0.18 0.33 0.00 -2.36 0.00 0.00 39.78 38.13 1b9l n ASN 52 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1b9l n ASP 53 N -0.54 3.99 -4.71 0.53 2.03 -1.26 -5.01 116.55 111.58 1b9l n ASP 53 Ca 0.07 -2.04 -0.33 0.00 0.52 0.00 0.00 54.79 53.01 1b9l n ASP 53 Cb 0.41 -0.50 0.11 0.00 -0.72 0.00 0.00 41.12 40.43 1b9l n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b9l s ALA 54 N -1.09 1.97 -0.49 -1.67 0.00 -1.26 -4.98 121.76 114.24 1b9l s ALA 54 Ca 0.49 0.81 -0.29 0.00 0.00 0.00 0.00 51.96 52.97 1b9l s ALA 54 Cb 0.26 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1b9l s ALA 54 CO 0.33 -2.10 1.21 -1.17 0.00 0.00 0.00 175.76 174.03 1b9l s LEU 55 N -5.52 3.58 -0.42 0.00 0.20 -1.26 -4.99 118.68 110.27 1b9l s LEU 55 Ca 0.72 0.46 -0.13 0.00 0.69 0.00 0.00 54.13 55.87 1b9l s LEU 55 Cb -0.28 -3.46 0.05 0.00 -0.43 0.00 0.00 46.19 42.07 1b9l s LEU 55 CO 0.49 -1.36 0.29 0.21 -0.29 0.00 0.00 176.35 175.69 1b9l s ASN 56 N 2.93 5.93 0.63 3.68 3.84 -1.26 -4.91 114.94 125.78 1b9l s ASN 56 Ca 0.50 -1.14 0.41 0.00 0.21 0.00 0.00 52.86 52.84 1b9l s ASN 56 Cb -0.08 -2.10 2.10 0.00 -0.55 0.00 0.00 41.25 40.62 1b9l s ASN 56 CO 0.31 -0.50 2.25 0.10 -2.79 0.00 0.00 177.10 176.47 1b9l h TYR 57 N 8.57 0.00 -0.19 0.43 -0.00 -2.00 -1.47 116.97 122.31 1b9l h TYR 57 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.26 1b9l h TYR 57 Cb 1.11 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.84 1b9l h TYR 57 CO 0.59 0.00 -0.71 0.00 -0.00 0.00 0.00 178.16 178.03 1b9l h ARG 58 N 0.00 0.81 -0.43 0.10 3.08 -1.99 -2.28 114.38 113.67 1b9l h ARG 58 Ca 0.00 -0.63 -0.14 0.00 0.07 0.00 0.00 59.98 59.28 1b9l h ARG 58 Cb 0.16 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1b9l h ARG 58 CO 0.00 1.24 -0.29 1.15 -1.07 0.00 0.00 179.97 181.00 1b9l h THR 59 N 0.56 1.27 -0.07 2.04 2.02 -1.71 -0.72 112.91 116.31 1b9l h THR 59 Ca -0.04 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.71 1b9l h THR 59 Cb 1.34 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1b9l h THR 59 CO 0.15 0.49 -0.04 0.58 0.37 0.00 0.00 175.52 177.07 1b9l h VAL 60 N 0.80 0.87 0.38 3.16 2.07 -1.38 -1.49 116.25 120.66 1b9l h VAL 60 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1b9l h VAL 60 Cb 0.87 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1b9l h VAL 60 CO 0.08 0.00 -0.21 0.74 0.02 0.00 0.00 177.57 178.20 1b9l h THR 61 N -0.04 0.57 -0.67 2.57 2.02 -1.27 -1.35 112.91 114.74 1b9l h THR 61 Ca 0.04 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.37 1b9l h THR 61 Cb 0.10 0.57 -0.11 0.00 -1.74 0.00 0.00 68.15 66.97 1b9l h THR 61 CO -0.10 0.00 0.05 0.50 0.37 0.00 0.00 175.52 176.34 1b9l h LYS 62 N -0.55 0.15 -0.54 6.66 3.64 -0.94 -0.29 116.57 124.69 1b9l h LYS 62 Ca -0.05 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1b9l h LYS 62 Cb 0.44 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1b9l h LYS 62 CO 0.06 0.10 0.11 -0.91 -2.27 0.00 0.00 179.45 176.54 1b9l h ASN 63 N 0.15 0.84 -0.09 4.20 2.35 -1.08 -1.67 115.58 120.29 1b9l h ASN 63 Ca 0.36 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1b9l h ASN 63 Cb 0.60 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1b9l h ASN 63 CO -0.55 0.87 0.04 0.40 -1.65 0.00 0.00 177.43 176.55 1b9l h ILE 64 N 0.78 1.11 0.25 2.81 2.04 0.05 -0.92 117.51 123.63 1b9l h ILE 64 Ca 0.17 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1b9l h ILE 64 Cb 0.37 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1b9l h ILE 64 CO 0.01 0.10 -0.33 0.40 0.00 0.00 0.00 178.15 178.32 1b9l h ILE 65 N 0.02 0.30 -0.47 -0.67 2.04 -1.11 0.10 117.51 117.73 1b9l h ILE 65 Ca 0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1b9l h ILE 65 Cb 0.12 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.40 1b9l h ILE 65 CO -0.00 0.00 -0.19 -0.61 0.00 0.00 0.00 178.15 177.35 1b9l h GLN 66 N -0.64 -0.08 -0.31 2.37 4.15 -1.21 -0.16 115.11 119.22 1b9l h GLN 66 Ca -0.00 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.33 1b9l h GLN 66 Cb 0.61 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1b9l h GLN 66 CO -0.11 -0.06 -0.22 1.25 -1.93 0.00 0.00 178.83 177.76 1b9l h HIS 67 N -0.09 0.66 0.23 3.99 2.76 -0.79 -2.54 115.15 119.37 1b9l h HIS 67 Ca 0.22 -0.14 -0.33 0.00 -2.20 0.00 0.00 60.37 57.93 1b9l h HIS 67 Cb 0.43 -0.16 0.03 0.00 1.55 0.00 0.00 27.41 29.26 1b9l h HIS 67 CO -0.46 0.77 -1.43 0.28 -1.30 0.00 0.00 177.93 175.79 1b9l h VAL 68 N 0.52 1.32 -0.05 5.26 2.07 0.05 -3.32 116.25 122.10 1b9l h VAL 68 Ca 0.08 -2.74 -0.22 0.00 0.82 0.00 0.00 66.70 64.64 1b9l h VAL 68 Cb 0.67 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1b9l h VAL 68 CO 0.05 0.82 -0.87 -0.33 0.02 0.00 0.00 177.57 177.26 1b9l h GLU 69 N 0.15 0.52 -0.87 1.57 5.08 -1.10 -3.29 114.58 116.64 1b9l h GLU 69 Ca -0.23 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.62 1b9l h GLU 69 Cb 2.12 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.49 1b9l h GLU 69 CO 0.26 1.13 0.02 0.09 -1.00 0.00 0.00 179.01 179.51 1b9l n ASN 70 N -3.82 2.63 -4.06 1.42 5.03 -0.96 -4.89 115.26 110.62 1b9l n ASN 70 Ca -0.07 -2.33 -0.13 0.00 0.87 0.00 0.00 54.58 52.93 1b9l n ASN 70 Cb 0.79 -0.57 -0.09 0.00 -1.02 0.00 0.00 39.78 38.89 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 -0.22 0.31 0.01 6.41 -0.87 -1.24 -5.03 114.94 114.31 1b9l s ASN 71 Ca 0.18 -1.38 0.08 0.00 -1.57 0.00 0.00 52.86 50.17 1b9l s ASN 71 Cb 0.14 0.43 -0.03 0.00 -0.02 0.00 0.00 41.25 41.77 1b9l s ASN 71 CO 0.05 -0.91 -0.23 -0.13 -2.57 0.00 0.00 177.10 173.31 1b9l s ARG 72 N -4.04 2.05 -0.04 -0.60 0.52 -1.26 -4.34 118.95 111.24 1b9l s ARG 72 Ca 0.37 -0.97 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1b9l s ARG 72 Cb 0.05 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.45 1b9l s ARG 72 CO 0.14 0.55 -0.09 -0.06 0.02 0.00 0.00 175.30 175.86 1b9l s PHE 73 N -0.74 1.05 -0.01 -0.53 0.40 -0.53 -5.03 117.98 112.59 1b9l s PHE 73 Ca 0.12 -0.31 -0.18 0.00 -0.60 0.00 0.00 56.93 55.95 1b9l s PHE 73 Cb -0.10 -0.79 -0.34 0.00 0.51 0.00 0.00 43.02 42.30 1b9l s PHE 73 CO 0.01 -0.17 0.94 0.66 0.70 0.00 0.00 175.22 177.36 1b9l h SER 74 N 6.74 0.68 -4.40 1.36 4.64 -1.85 -1.11 113.55 119.62 1b9l h SER 74 Ca -0.34 -0.93 -0.40 0.00 -0.47 0.00 0.00 61.79 59.65 1b9l h SER 74 Cb 1.17 -0.22 -0.24 0.00 -0.31 0.00 0.00 62.40 62.80 1b9l h SER 74 CO 0.48 1.59 -0.78 -0.76 -0.87 0.00 0.00 176.83 176.49 1b9l s LEU 75 N -7.70 2.20 0.23 5.97 1.02 -1.26 -3.64 118.68 115.49 1b9l s LEU 75 Ca -0.11 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 53.48 1b9l s LEU 75 Cb 0.03 -0.48 0.25 0.00 0.02 0.00 0.00 46.19 46.01 1b9l s LEU 75 CO 0.89 -0.03 1.87 -0.07 0.02 0.00 0.00 176.35 179.03 1b9l h LEU 76 N 4.80 0.86 -0.89 1.79 3.38 -1.99 -1.91 115.31 121.35 1b9l h LEU 76 Ca -0.37 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1b9l h LEU 76 Cb 1.19 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1b9l h LEU 76 CO 0.43 0.59 0.56 -0.33 0.09 0.00 0.00 178.44 179.77 1b9l h GLU 77 N 1.01 0.99 0.02 1.13 3.07 -1.98 0.46 114.58 119.28 1b9l h GLU 77 Ca 0.33 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1b9l h GLU 77 Cb 0.03 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1b9l h GLU 77 CO -0.12 0.65 -0.01 0.87 -1.40 0.00 0.00 179.01 179.00 1b9l h LYS 78 N 1.01 -0.02 -0.37 2.33 6.56 -1.80 -1.28 116.57 123.01 1b9l h LYS 78 Ca 0.39 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 60.02 1b9l h LYS 78 Cb 0.17 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.79 1b9l h LYS 78 CO -0.17 0.25 0.15 1.25 -2.06 0.00 0.00 179.45 178.86 1b9l h LEU 79 N -0.29 0.18 -1.11 2.94 5.85 -0.70 0.70 115.31 122.88 1b9l h LEU 79 Ca -0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1b9l h LEU 79 Cb 0.28 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1b9l h LEU 79 CO 0.00 0.14 0.27 0.74 -0.34 0.00 0.00 178.44 179.25 1b9l h THR 80 N 0.31 1.21 -0.21 1.05 2.02 -0.05 -1.90 112.91 115.36 1b9l h THR 80 Ca 0.16 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 1b9l h THR 80 Cb 0.12 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1b9l h THR 80 CO -0.15 0.26 -0.13 -0.61 0.37 0.00 0.00 175.52 175.25 1b9l h GLN 81 N 0.89 0.45 -0.57 6.66 5.75 -0.40 -0.92 115.11 126.97 1b9l h GLN 81 Ca 0.21 -0.21 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1b9l h GLN 81 Cb 0.14 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.61 1b9l h GLN 81 CO -0.02 0.76 0.16 -0.44 -2.65 0.00 0.00 178.83 176.64 1b9l h ASP 82 N 0.14 0.10 -0.22 -0.69 5.19 -0.52 -0.18 116.42 120.24 1b9l h ASP 82 Ca 0.04 0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.51 1b9l h ASP 82 Cb 0.65 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1b9l h ASP 82 CO 0.04 0.07 0.03 0.58 -3.12 0.00 0.00 179.24 176.83 1b9l h VAL 83 N 0.31 1.23 -0.80 -1.35 2.07 -1.28 -1.96 116.25 114.48 1b9l h VAL 83 Ca 0.29 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.15 1b9l h VAL 83 Cb 0.40 1.32 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1b9l h VAL 83 CO -0.34 0.25 0.41 0.25 0.02 0.00 0.00 177.57 178.15 1b9l h LEU 84 N 0.17 0.52 -0.50 2.57 5.85 -0.18 -0.08 115.31 123.66 1b9l h LEU 84 Ca 0.07 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1b9l h LEU 84 Cb 0.34 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1b9l h LEU 84 CO 0.01 0.26 0.12 0.44 -0.34 0.00 0.00 178.44 178.92 1b9l h ASP 85 N 0.64 0.76 -0.72 1.25 3.32 -0.96 -1.72 116.42 118.98 1b9l h ASP 85 Ca 0.41 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1b9l h ASP 85 Cb 0.50 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1b9l h ASP 85 CO -0.31 0.79 0.41 0.40 -1.72 0.00 0.00 179.24 178.81 1b9l h ILE 86 N 0.68 1.21 -0.23 0.35 2.04 -0.32 -2.42 117.51 118.83 1b9l h ILE 86 Ca 0.16 -0.52 -0.18 0.00 1.00 0.00 0.00 64.86 65.32 1b9l h ILE 86 Cb 0.34 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1b9l h ILE 86 CO 0.00 0.23 -0.57 0.00 0.00 0.00 0.00 178.15 177.82 1b9l h ALA 87 N 1.44 0.56 -0.23 1.87 0.00 -0.79 -3.26 119.26 118.83 1b9l h ALA 87 Ca 0.26 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1b9l h ALA 87 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1b9l h ALA 87 CO -0.04 0.69 0.00 2.89 0.00 0.00 0.00 179.25 182.78 1b9l n ARG 88 N -3.98 1.89 0.13 0.00 1.85 -0.67 -4.44 116.66 111.45 1b9l n ARG 88 Ca -0.04 -1.35 0.09 0.00 -1.00 0.00 0.00 57.85 55.55 1b9l n ARG 88 Cb 0.63 -1.40 0.58 0.00 -1.05 0.00 0.00 32.46 31.22 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 2.63 0.16 -6.48 2.89 4.81 -1.48 -3.42 114.58 113.69 1b9l h GLU 89 Ca 0.00 -0.01 -0.53 0.00 -0.13 0.00 0.00 59.36 58.69 1b9l h GLU 89 Cb 0.58 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1b9l h GLU 89 CO 0.00 0.11 0.45 -1.58 -0.73 0.00 0.00 179.01 177.26 1b9l s HIS 90 N -5.19 3.59 -1.48 0.92 2.46 -1.26 -4.90 115.29 109.42 1b9l s HIS 90 Ca -0.06 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.03 1b9l s HIS 90 Cb 0.18 -3.24 0.00 0.00 -0.13 0.00 0.00 32.58 29.39 1b9l s HIS 90 CO 0.70 -0.50 0.56 -2.39 -2.47 0.00 0.00 174.74 170.64 1b9l n HIS 91 N 3.63 0.00 0.02 3.88 1.44 -1.26 -0.93 115.22 122.00 1b9l n HIS 91 Ca 0.06 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.82 1b9l n HIS 91 Cb 0.49 -0.12 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.06 0.58 -1.71 -1.40 7.02 -1.26 -4.93 117.44 114.68 1b9l n TRP 92 Ca 0.00 0.18 -0.42 0.00 -1.02 0.00 0.00 57.50 56.24 1b9l n TRP 92 Cb 0.02 -0.88 -0.03 0.00 -2.42 0.00 0.00 31.31 28.00 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 -3.16 3.11 -0.18 -0.99 1.01 -0.11 -4.43 120.40 115.65 1b9l s VAL 93 Ca -0.05 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1b9l s VAL 93 Cb 0.10 -3.10 -0.21 0.00 0.00 0.00 0.00 36.38 33.16 1b9l s VAL 93 CO 0.84 -0.04 0.30 0.74 0.00 0.00 0.00 175.10 176.93 1b9l h THR 94 N 6.21 0.93 -3.96 3.92 2.02 -1.76 -3.47 112.91 116.80 1b9l h THR 94 Ca -0.45 -2.23 -0.29 0.00 0.77 0.00 0.00 66.41 64.21 1b9l h THR 94 Cb 1.23 2.37 -0.23 0.00 -1.74 0.00 0.00 68.15 69.78 1b9l h THR 94 CO 0.95 0.45 -0.74 -0.47 0.37 0.00 0.00 175.52 176.08 1b9l s TYR 95 N -2.39 0.67 -0.20 3.16 5.04 -1.24 -2.01 117.35 120.38 1b9l s TYR 95 Ca -0.27 -0.43 -0.13 0.00 -2.44 0.00 0.00 57.07 53.81 1b9l s TYR 95 Cb 0.05 -0.41 0.06 0.00 0.35 0.00 0.00 41.96 42.02 1b9l s TYR 95 CO 0.64 -0.06 0.49 0.00 -1.34 0.00 0.00 175.55 175.27 1b9l s ALA 96 N -1.15 -1.25 0.00 3.97 0.00 -0.87 -0.91 121.76 121.55 1b9l s ALA 96 Ca -0.07 1.67 0.04 0.00 0.00 0.00 0.00 51.96 53.59 1b9l s ALA 96 Cb -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 1b9l s ALA 96 CO 0.00 -0.28 -0.11 -2.00 0.00 0.00 0.00 175.76 173.37 1b9l s GLU 97 N 1.16 0.87 -0.04 0.00 2.12 -0.39 0.13 118.70 122.55 1b9l s GLU 97 Ca -0.07 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.77 1b9l s GLU 97 Cb -0.06 -0.84 0.03 0.00 0.26 0.00 0.00 34.13 33.51 1b9l s GLU 97 CO -0.11 0.22 0.01 0.08 -0.54 0.00 0.00 175.26 174.92 1b9l s VAL 98 N -0.44 0.16 -0.06 3.70 1.01 0.17 -1.54 120.40 123.40 1b9l s VAL 98 Ca 0.03 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.19 1b9l s VAL 98 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1b9l s VAL 98 CO -0.00 0.16 -0.18 -0.70 0.00 0.00 0.00 175.10 174.38 1b9l s GLU 99 N 1.31 2.61 -0.10 2.72 2.12 -0.52 -1.38 118.70 125.45 1b9l s GLU 99 Ca -0.06 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 54.49 1b9l s GLU 99 Cb -0.13 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.96 1b9l s GLU 99 CO -0.02 0.49 -0.06 0.42 -0.54 0.00 0.00 175.26 175.54 1b9l s ILE 100 N -0.39 0.88 -0.13 -3.70 1.01 -0.11 -1.40 121.20 117.36 1b9l s ILE 100 Ca 0.04 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.34 1b9l s ILE 100 Cb -0.12 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 1b9l s ILE 100 CO 0.02 0.34 0.36 -1.81 0.00 0.00 0.00 174.94 173.85 1b9l s ASP 101 N 1.77 6.55 -0.57 3.58 1.11 -0.06 -1.04 116.67 128.01 1b9l s ASP 101 Ca 0.05 0.65 -0.12 0.00 0.18 0.00 0.00 52.55 53.31 1b9l s ASP 101 Cb -0.12 -2.22 0.14 0.00 1.07 0.00 0.00 42.92 41.79 1b9l s ASP 101 CO -0.08 0.10 0.48 -0.75 1.18 0.00 0.00 175.17 176.11 1b9l s LYS 102 N 0.30 2.84 0.19 8.23 2.20 -0.20 -2.01 119.74 131.29 1b9l s LYS 102 Ca 0.20 -1.94 -0.33 0.00 -0.36 0.00 0.00 55.97 53.54 1b9l s LYS 102 Cb -0.14 -4.12 -0.13 0.00 -1.51 0.00 0.00 37.83 31.93 1b9l s LYS 102 CO 0.07 -1.25 1.60 1.28 -0.36 0.00 0.00 175.35 176.68 1b9l n LEU 103 N 4.73 3.40 -3.75 5.43 4.32 -0.99 -3.17 117.00 126.96 1b9l n LEU 103 Ca -0.05 1.09 -0.34 0.00 -0.02 0.00 0.00 56.01 56.69 1b9l n LEU 103 Cb 0.41 -1.47 0.04 0.00 -1.62 0.00 0.00 43.42 40.78 1b9l n LEU 103 CO 0.44 -0.16 -0.09 1.41 -1.22 0.00 0.00 177.39 177.76 1b9l n HIS 104 N 3.32 -1.81 -0.06 -1.77 8.25 -0.50 -4.77 115.22 117.87 1b9l n HIS 104 Ca 0.16 0.38 -0.10 0.00 -0.26 0.00 0.00 57.72 57.90 1b9l n HIS 104 Cb 0.31 -3.33 -0.15 0.00 1.12 0.00 0.00 29.99 27.95 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 -4.34 1.47 -2.60 -1.41 0.00 -1.19 -4.87 120.51 107.57 1b9l n ALA 105 Ca -0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 53.44 51.94 1b9l n ALA 105 Cb 0.59 -0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.45 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 -5.84 3.24 0.13 0.00 2.01 -1.26 -5.06 118.68 111.89 1b9l s LEU 106 Ca -0.09 -0.00 -0.29 0.00 0.01 0.00 0.00 54.13 53.75 1b9l s LEU 106 Cb 0.07 -1.72 -0.06 0.00 0.01 0.00 0.00 46.19 44.48 1b9l s LEU 106 CO 0.82 0.36 0.92 0.00 1.01 0.00 0.00 176.35 179.46 1b9l s ARG 107 N -0.87 4.69 0.00 1.70 1.70 -1.26 -3.14 118.95 121.77 1b9l s ARG 107 Ca 0.13 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.78 1b9l s ARG 107 Cb -0.11 -3.35 0.00 0.00 -0.57 0.00 0.00 34.95 30.92 1b9l s ARG 107 CO 0.02 0.30 0.00 0.66 -1.08 0.00 0.00 175.30 175.20 1b9l n TYR 108 N 2.47 0.00 -4.50 5.89 4.01 -1.26 -5.05 117.16 118.73 1b9l n TYR 108 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.51 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 -2.74 1.10 0.38 -0.72 0.00 -1.19 -5.04 121.76 113.56 1b9l s ALA 109 Ca 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 51.96 51.72 1b9l s ALA 109 Cb 0.00 -0.47 0.95 0.00 0.00 0.00 0.00 23.12 23.59 1b9l s ALA 109 CO 0.00 0.12 1.86 -0.44 0.00 0.00 0.00 175.76 177.30 1b9l h ASP 110 N 6.77 0.54 -5.95 0.00 3.32 -1.97 -3.40 116.42 115.73 1b9l h ASP 110 Ca -0.33 0.05 0.40 0.00 0.02 0.00 0.00 57.03 57.16 1b9l h ASP 110 Cb 1.18 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.59 1b9l h ASP 110 CO 0.48 0.24 0.99 -0.94 -1.72 0.00 0.00 179.24 178.29 1b9l s SER 111 N -5.69 0.00 -0.03 6.45 1.04 -1.26 -1.41 113.70 112.80 1b9l s SER 111 Ca -0.09 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1b9l s SER 111 Cb 0.23 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.42 1b9l s SER 111 CO 0.79 -0.09 0.00 0.54 0.98 0.00 0.00 173.24 175.45 1b9l s VAL 112 N -2.01 0.15 0.28 5.02 0.11 -1.20 -4.90 120.40 117.86 1b9l s VAL 112 Ca 0.32 0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.55 1b9l s VAL 112 Cb -0.00 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1b9l s VAL 112 CO -0.02 0.14 -0.13 -0.94 -3.33 0.00 0.00 175.10 170.81 1b9l s SER 113 N 1.00 3.19 -0.07 3.54 1.04 -1.26 -1.03 113.70 120.11 1b9l s SER 113 Ca -0.10 -1.10 0.04 0.00 0.48 0.00 0.00 55.95 55.27 1b9l s SER 113 Cb -0.13 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.74 1b9l s SER 113 CO -0.02 -0.15 -0.20 -0.32 0.98 0.00 0.00 173.24 173.53 1b9l s MET 114 N -3.61 2.30 -0.06 4.02 1.75 -0.21 -4.94 119.30 118.55 1b9l s MET 114 Ca 0.29 -0.71 0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1b9l s MET 114 Cb -0.00 -1.87 0.00 0.00 2.84 0.00 0.00 34.83 35.80 1b9l s MET 114 CO 0.13 0.21 -0.17 0.99 -0.65 0.00 0.00 175.02 175.53 1b9l s THR 115 N 0.21 1.45 0.04 10.11 2.01 -1.26 -0.94 115.64 127.26 1b9l s THR 115 Ca -0.10 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1b9l s THR 115 Cb -0.15 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 1b9l s THR 115 CO 0.05 0.42 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.55 1b9l s LEU 116 N 0.23 2.22 0.21 4.42 1.43 -0.48 -4.98 118.68 121.73 1b9l s LEU 116 Ca -0.09 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1b9l s LEU 116 Cb -0.13 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 1b9l s LEU 116 CO 0.03 -0.14 0.05 -0.94 0.23 0.00 0.00 176.35 175.59 1b9l s SER 117 N -1.37 1.12 0.01 2.29 1.04 -1.26 -0.66 113.70 114.87 1b9l s SER 117 Ca -0.07 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.10 1b9l s SER 117 Cb -0.09 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1b9l s SER 117 CO 0.01 -0.65 -0.03 0.86 0.98 0.00 0.00 173.24 174.41 1b9l s TRP 118 N -3.73 0.24 0.22 5.02 -0.00 0.12 -4.98 118.94 115.83 1b9l s TRP 118 Ca 0.30 -0.28 0.08 0.00 -0.00 0.00 0.00 56.10 56.21 1b9l s TRP 118 Cb 0.07 -0.16 -0.05 0.00 -0.00 0.00 0.00 33.47 33.33 1b9l s TRP 118 CO 0.08 -0.09 -0.14 -0.65 -0.00 0.00 0.00 176.95 176.16 1b9l s GLN 119 N -0.77 1.40 0.00 5.86 -1.52 -1.26 -2.06 119.66 121.30 1b9l s GLN 119 Ca -0.07 -1.64 0.00 0.00 -1.95 0.00 0.00 55.36 51.70 1b9l s GLN 119 Cb -0.05 -1.20 0.00 0.00 -0.22 0.00 0.00 33.01 31.54 1b9l s GLN 119 CO -0.00 0.18 0.00 0.54 -0.25 0.00 0.00 175.29 175.76