#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o9a s LYS 18 N 0.00 3.23 -0.50 -1.46 1.02 -1.26 -5.05 119.74 115.73 1o9a s LYS 18 Ca 0.00 -0.68 -0.28 0.00 0.02 0.00 0.00 55.97 55.03 1o9a s LYS 18 Cb 0.00 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.63 1o9a s LYS 18 CO 0.00 0.29 2.41 -2.30 -0.92 0.00 0.00 175.35 174.82 1o9a n PRO 19 N 3.31 1.07 0.00 -1.68 -0.02 -1.26 -4.78 135.00 131.63 1o9a n PRO 19 Ca -0.18 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1o9a n PRO 19 Cb 0.53 -3.13 0.00 0.00 -0.02 0.00 0.00 33.50 30.87 1o9a n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o9a n GLY 20 N 6.07 -0.60 3.66 -1.23 0.00 -1.26 -4.85 105.19 106.98 1o9a n GLY 20 Ca 0.40 0.83 -0.55 0.00 0.00 0.00 0.00 46.02 46.69 1o9a n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o9a s TYR 22 N 4.30 3.11 0.79 0.00 5.04 -1.26 -2.14 117.35 127.20 1o9a s TYR 22 Ca 1.00 -0.28 -0.12 0.00 -2.44 0.00 0.00 57.07 55.23 1o9a s TYR 22 Cb -0.99 -2.16 0.07 0.00 0.35 0.00 0.00 41.96 39.23 1o9a s TYR 22 CO 0.61 -0.18 1.13 0.34 -1.34 0.00 0.00 175.55 176.11 1o9a s ASP 23 N 1.12 4.60 0.00 4.32 2.15 0.41 -4.88 116.67 124.39 1o9a s ASP 23 Ca 0.04 1.02 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1o9a s ASP 23 Cb -0.14 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 1o9a s ASP 23 CO 0.03 -1.87 0.57 0.59 -0.17 0.00 0.00 175.17 174.32 1o9a n ASN 24 N -3.33 0.00 0.10 -0.34 3.02 -1.26 -3.69 115.26 109.75 1o9a n ASN 24 Ca 0.07 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 1o9a n ASN 24 Cb 0.59 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 1o9a n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1o9a n GLY 25 N -1.07 -0.20 3.43 7.41 0.00 -1.26 -5.13 105.19 108.37 1o9a n GLY 25 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1o9a n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o9a s LYS 26 N -1.83 1.57 -0.14 1.61 2.20 -1.24 -5.13 119.74 116.77 1o9a s LYS 26 Ca 0.00 -1.70 -0.11 0.00 -0.36 0.00 0.00 55.97 53.80 1o9a s LYS 26 Cb 0.00 -1.61 -0.05 0.00 -1.51 0.00 0.00 37.83 34.67 1o9a s LYS 26 CO 0.00 0.30 0.21 -3.38 -0.36 0.00 0.00 175.35 172.12 1o9a s HIS 27 N -2.55 3.52 0.20 4.03 0.00 -1.26 -0.44 115.29 118.79 1o9a s HIS 27 Ca 0.27 0.54 0.07 0.00 -3.00 0.00 0.00 55.06 52.95 1o9a s HIS 27 Cb -0.04 -2.16 -0.05 0.00 -4.00 0.00 0.00 32.58 26.33 1o9a s HIS 27 CO 0.12 0.45 -0.13 0.71 -1.00 0.00 0.00 174.74 174.90 1o9a s TYR 28 N -0.20 1.66 1.14 0.38 1.51 -0.91 -4.94 117.35 115.99 1o9a s TYR 28 Ca 0.14 -0.62 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 1o9a s TYR 28 Cb -0.13 -0.80 0.26 0.00 -0.11 0.00 0.00 41.96 41.18 1o9a s TYR 28 CO 0.03 0.30 0.99 1.04 -1.11 0.00 0.00 175.55 176.80 1o9a n GLN 29 N -0.37 -2.14 -1.92 -0.62 1.13 -1.26 -3.53 117.38 108.66 1o9a n GLN 29 Ca -0.08 -0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 53.97 1o9a n GLN 29 Cb 0.61 -2.18 -0.03 0.00 0.11 0.00 0.00 30.24 28.75 1o9a n GLN 29 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1o9a s ILE 30 N -2.43 2.53 -1.45 5.09 1.09 -1.26 -1.68 121.20 123.09 1o9a s ILE 30 Ca 0.68 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.63 1o9a s ILE 30 Cb -0.25 -3.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 1o9a s ILE 30 CO 0.64 0.04 0.00 0.59 -0.10 0.00 0.00 174.94 176.11 1o9a n ASN 31 N 3.46 -5.29 -4.85 3.58 3.02 -1.19 -4.97 115.26 109.02 1o9a n ASN 31 Ca 0.12 0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.69 1o9a n ASN 31 Cb 0.38 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.53 1o9a n ASN 31 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1o9a s GLN 32 N -3.09 3.89 0.19 3.52 0.74 -0.68 -4.73 119.66 119.50 1o9a s GLN 32 Ca 0.00 0.82 0.10 0.00 0.05 0.00 0.00 55.36 56.32 1o9a s GLN 32 Cb 0.00 -2.20 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 1o9a s GLN 32 CO 0.00 -0.23 -0.14 -0.65 -0.55 0.00 0.00 175.29 173.72 1o9a s GLN 33 N -4.07 1.88 0.02 1.67 1.11 -1.26 -2.22 119.66 116.78 1o9a s GLN 33 Ca 0.57 -1.36 -0.24 0.00 0.01 0.00 0.00 55.36 54.34 1o9a s GLN 33 Cb -0.10 -2.05 0.05 0.00 -1.01 0.00 0.00 33.01 29.90 1o9a s GLN 33 CO 0.32 0.42 0.53 1.67 0.01 0.00 0.00 175.29 178.25 1o9a s TRP 34 N -1.72 -0.45 -0.23 0.91 -2.14 -0.99 -4.97 118.94 109.35 1o9a s TRP 34 Ca 0.24 0.60 -0.21 0.00 2.66 0.00 0.00 56.10 59.39 1o9a s TRP 34 Cb -0.08 0.33 -0.02 0.00 -3.10 0.00 0.00 33.47 30.60 1o9a s TRP 34 CO 0.13 -0.61 0.68 -1.21 -2.66 0.00 0.00 176.95 173.28 1o9a s GLU 35 N -2.02 4.16 -0.04 3.25 2.02 -1.26 -1.07 118.70 123.74 1o9a s GLU 35 Ca -0.08 0.66 -0.03 0.00 0.02 0.00 0.00 54.97 55.55 1o9a s GLU 35 Cb -0.01 -3.63 0.01 0.00 0.10 0.00 0.00 34.13 30.61 1o9a s GLU 35 CO 0.02 -0.38 0.10 -0.98 0.02 0.00 0.00 175.26 174.04 1o9a s ARG 36 N 2.38 0.10 0.11 1.61 1.70 -0.81 -4.99 118.95 119.05 1o9a s ARG 36 Ca 0.29 0.17 -0.07 0.00 -0.47 0.00 0.00 55.73 55.65 1o9a s ARG 36 Cb -0.16 -0.00 -0.06 0.00 -0.57 0.00 0.00 34.95 34.17 1o9a s ARG 36 CO 0.09 -0.05 0.39 0.99 -1.08 0.00 0.00 175.30 175.64 1o9a s THR 37 N 0.28 5.13 -0.24 4.99 2.01 -1.26 -0.27 115.64 126.29 1o9a s THR 37 Ca -0.02 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 1o9a s THR 37 Cb -0.03 -3.63 0.07 0.00 0.01 0.00 0.00 72.50 68.92 1o9a s THR 37 CO -0.01 0.17 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.61 1o9a s TYR 38 N -1.52 2.06 0.00 4.92 5.04 0.58 -4.84 117.35 123.59 1o9a s TYR 38 Ca 0.37 -1.60 0.00 0.00 -2.44 0.00 0.00 57.07 53.40 1o9a s TYR 38 Cb -0.13 -1.53 0.00 0.00 0.35 0.00 0.00 41.96 40.65 1o9a s TYR 38 CO 0.21 -0.76 0.00 1.28 -1.34 0.00 0.00 175.55 174.94 1o9a n LEU 39 N 4.76 0.00 0.00 6.97 4.32 -1.26 -2.64 117.00 129.16 1o9a n LEU 39 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1o9a n LEU 39 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 1o9a n LEU 39 CO 0.16 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 1o9a n GLY 40 N 0.00 0.00 3.50 -0.72 0.00 -1.26 -5.14 105.19 101.56 1o9a n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1o9a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o9a s ASN 41 N 0.00 4.45 -0.49 1.61 2.20 -1.08 -5.08 114.94 116.55 1o9a s ASN 41 Ca 0.00 -0.14 -0.25 0.00 -0.94 0.00 0.00 52.86 51.53 1o9a s ASN 41 Cb 0.00 -1.39 0.03 0.00 -2.00 0.00 0.00 41.25 37.89 1o9a s ASN 41 CO 0.00 0.26 0.92 0.00 -2.94 0.00 0.00 177.10 175.35 1o9a s ALA 42 N -0.23 3.21 -0.09 3.54 0.00 -1.26 -0.31 121.76 126.63 1o9a s ALA 42 Ca 0.02 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1o9a s ALA 42 Cb -0.13 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 1o9a s ALA 42 CO 0.03 -2.15 -0.19 -0.51 0.00 0.00 0.00 175.76 172.94 1o9a s LEU 43 N 3.79 2.41 -0.15 0.00 2.01 0.63 -0.92 118.68 126.45 1o9a s LEU 43 Ca 0.35 -0.40 -0.23 0.00 0.01 0.00 0.00 54.13 53.85 1o9a s LEU 43 Cb -0.11 -1.49 -0.02 0.00 0.01 0.00 0.00 46.19 44.58 1o9a s LEU 43 CO 0.24 0.23 0.74 0.68 1.01 0.00 0.00 176.35 179.25 1o9a s VAL 44 N -0.03 4.96 0.26 -1.59 -7.23 0.11 -1.92 120.40 114.95 1o9a s VAL 44 Ca -0.05 1.46 -0.02 0.00 -1.81 0.00 0.00 61.98 61.55 1o9a s VAL 44 Cb -0.15 -4.06 -0.04 0.00 0.56 0.00 0.00 36.38 32.69 1o9a s VAL 44 CO 0.05 0.11 0.47 0.00 -0.31 0.00 0.00 175.10 175.42 1o9a s THR 46 N -2.02 1.69 0.97 0.00 2.01 0.49 -2.33 115.64 116.45 1o9a s THR 46 Ca 0.41 -2.68 -0.12 0.00 0.31 0.00 0.00 61.69 59.60 1o9a s THR 46 Cb -0.11 -2.19 0.10 0.00 0.01 0.00 0.00 72.50 70.32 1o9a s THR 46 CO 0.30 -0.85 0.68 0.00 -0.69 0.00 0.00 174.62 174.06 1o9a n TYR 48 N -4.03 0.00 -1.43 0.00 4.01 -1.04 -3.18 117.16 111.49 1o9a n TYR 48 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1o9a n TYR 48 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 1o9a n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1o9a n GLY 49 N 0.46 -3.97 0.00 2.72 0.00 -1.26 -4.70 105.19 98.44 1o9a n GLY 49 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1o9a n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o9a n GLY 50 N 0.67 0.26 0.17 -0.02 0.00 -1.26 -4.52 105.19 100.49 1o9a n GLY 50 Ca 0.00 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.28 1o9a n GLY 50 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1o9a n SER 51 N 0.00 0.58 0.16 1.61 3.41 -1.26 -3.54 113.62 114.58 1o9a n SER 51 Ca 0.00 -0.92 0.13 0.00 -0.26 0.00 0.00 58.87 57.82 1o9a n SER 51 Cb 0.00 -0.04 0.44 0.00 -0.26 0.00 0.00 64.21 64.35 1o9a n SER 51 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1o9a h ARG 52 N 0.83 0.00 0.00 4.33 2.47 -1.92 -3.49 114.38 116.61 1o9a h ARG 52 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1o9a h ARG 52 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1o9a h ARG 52 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1o9a n GLY 53 N 0.66 0.65 3.09 0.04 0.00 -1.23 -4.83 105.19 103.57 1o9a n GLY 53 Ca 0.03 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1o9a n GLY 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1o9a s PHE 54 N 0.00 1.13 -0.17 1.61 -0.12 -1.26 -2.51 117.98 116.66 1o9a s PHE 54 Ca 0.00 -0.23 -0.06 0.00 -0.05 0.00 0.00 56.93 56.60 1o9a s PHE 54 Cb 0.00 -0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 41.63 1o9a s PHE 54 CO 0.00 -0.01 0.01 1.21 -0.05 0.00 0.00 175.22 176.38 1o9a s ASN 55 N -0.37 5.19 0.15 1.98 2.47 -1.22 -4.83 114.94 118.31 1o9a s ASN 55 Ca 0.04 -0.04 -0.01 0.00 0.42 0.00 0.00 52.86 53.28 1o9a s ASN 55 Cb -0.05 -1.87 -0.04 0.00 -1.45 0.00 0.00 41.25 37.83 1o9a s ASN 55 CO -0.00 0.16 0.33 0.00 -3.72 0.00 0.00 177.10 173.87 1o9a s GLU 57 N -3.02 0.04 -0.10 0.00 2.02 0.40 -4.88 118.70 113.17 1o9a s GLU 57 Ca 0.37 0.18 -0.39 0.00 0.02 0.00 0.00 54.97 55.15 1o9a s GLU 57 Cb -0.12 -0.09 -0.17 0.00 0.10 0.00 0.00 34.13 33.85 1o9a s GLU 57 CO 0.28 -0.09 1.44 -1.13 0.02 0.00 0.00 175.26 175.78 1o9a n SER 58 N 3.62 1.53 -4.87 -0.19 3.41 -1.26 0.04 113.62 115.89 1o9a n SER 58 Ca -0.20 1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 59.20 1o9a n SER 58 Cb 0.55 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1o9a n SER 58 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1o9a s LYS 59 N 1.55 3.79 -0.29 4.33 -2.85 -0.10 -4.77 119.74 121.40 1o9a s LYS 59 Ca 0.92 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.82 1o9a s LYS 59 Cb -1.10 -2.81 -0.01 0.00 -2.06 0.00 0.00 37.83 31.86 1o9a s LYS 59 CO 0.58 0.42 1.41 -1.25 0.10 0.00 0.00 175.35 176.61 1o9a s PRO 60 N -2.45 3.84 0.00 1.78 0.04 -1.26 -4.93 135.00 132.02 1o9a s PRO 60 Ca 0.42 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1o9a s PRO 60 Cb -0.13 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1o9a s PRO 60 CO 0.21 -1.22 0.00 -0.85 0.04 0.00 0.00 177.00 175.18 1o9a n GLU 61 N 7.49 -0.23 0.00 4.56 0.28 -1.26 -5.04 120.64 126.44 1o9a n GLU 61 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1o9a n GLU 61 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1o9a n GLU 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1o9a n ALA 62 N -3.00 1.59 -2.84 -1.84 0.00 -1.26 -4.86 120.51 108.31 1o9a n ALA 62 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1o9a n ALA 62 Cb 0.00 0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.60 1o9a n ALA 62 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1o9a n GLU 63 N -1.39 4.82 -1.71 0.00 1.02 -1.26 -5.02 120.64 117.10 1o9a n GLU 63 Ca 0.00 -4.64 -0.42 0.00 -0.02 0.00 0.00 57.16 52.08 1o9a n GLU 63 Cb 0.29 -2.46 -0.03 0.00 -0.02 0.00 0.00 31.44 29.22 1o9a n GLU 63 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1o9a s GLU 64 N -3.60 4.13 0.20 3.49 2.02 -1.26 -4.98 118.70 118.69 1o9a s GLU 64 Ca 0.36 2.62 -0.07 0.00 0.02 0.00 0.00 54.97 57.90 1o9a s GLU 64 Cb 0.14 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.89 1o9a s GLU 64 CO -0.03 -0.83 0.27 0.95 0.02 0.00 0.00 175.26 175.64 1o9a s THR 65 N 2.33 0.03 -0.14 3.63 -4.23 -1.26 -2.60 115.64 113.40 1o9a s THR 65 Ca 0.80 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1o9a s THR 65 Cb -0.47 -2.18 0.03 0.00 1.34 0.00 0.00 72.50 71.21 1o9a s THR 65 CO 0.35 -0.13 -0.10 0.00 -0.54 0.00 0.00 174.62 174.20 1o9a s PHE 67 N 1.60 3.49 -0.37 0.00 5.36 -1.26 -0.80 117.98 125.99 1o9a s PHE 67 Ca 0.04 0.42 -0.07 0.00 -0.96 0.00 0.00 56.93 56.36 1o9a s PHE 67 Cb -0.13 -1.97 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 1o9a s PHE 67 CO -0.09 0.58 0.17 0.34 -1.46 0.00 0.00 175.22 174.76 1o9a s ASP 68 N -0.66 5.40 0.00 6.13 2.15 -0.60 -4.94 116.67 124.16 1o9a s ASP 68 Ca 0.13 -1.39 0.08 0.00 0.43 0.00 0.00 52.55 51.79 1o9a s ASP 68 Cb -0.12 -1.90 0.46 0.00 -0.30 0.00 0.00 42.92 41.06 1o9a s ASP 68 CO 0.02 -0.43 1.15 0.29 -0.17 0.00 0.00 175.17 176.03 1o9a n LYS 69 N 4.81 0.82 0.02 4.34 4.01 -1.26 -0.83 118.16 130.08 1o9a n LYS 69 Ca -0.10 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.68 1o9a n LYS 69 Cb 0.43 -1.15 -0.09 0.00 -0.51 0.00 0.00 35.03 33.71 1o9a n LYS 69 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1o9a n TYR 70 N -0.65 0.99 -0.09 2.13 4.02 -1.26 -4.40 117.16 117.90 1o9a n TYR 70 Ca 0.06 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 1o9a n TYR 70 Cb 0.03 -1.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 1o9a n TYR 70 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1o9a n THR 71 N -2.92 0.00 -1.99 -0.72 -2.24 -1.12 -5.02 114.28 100.27 1o9a n THR 71 Ca -0.11 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1o9a n THR 71 Cb 0.89 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 70.20 1o9a n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1o9a n GLY 72 N 0.46 0.21 3.55 3.38 0.00 -0.01 -5.03 105.19 107.75 1o9a n GLY 72 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1o9a n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1o9a s ASN 73 N -2.67 4.10 0.05 1.61 0.01 -1.16 -4.99 114.94 111.88 1o9a s ASN 73 Ca 0.00 -0.71 0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1o9a s ASN 73 Cb 0.00 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1o9a s ASN 73 CO 0.00 0.07 -0.14 -0.89 -1.51 0.00 0.00 177.10 174.63 1o9a s THR 74 N -1.98 3.08 0.22 1.60 2.01 -1.26 -1.56 115.64 117.75 1o9a s THR 74 Ca 0.27 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.16 1o9a s THR 74 Cb -0.07 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 1o9a s THR 74 CO 0.15 0.30 0.01 -0.31 -0.69 0.00 0.00 174.62 174.09 1o9a s TYR 75 N -1.00 1.44 0.18 4.92 1.51 0.02 -5.01 117.35 119.41 1o9a s TYR 75 Ca 0.16 -0.99 0.04 0.00 -1.01 0.00 0.00 57.07 55.27 1o9a s TYR 75 Cb -0.11 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1o9a s TYR 75 CO 0.07 -0.14 0.26 0.50 -1.11 0.00 0.00 175.55 175.13 1o9a s ARG 76 N -3.91 3.27 -0.22 -0.62 6.06 -1.26 -0.32 118.95 121.94 1o9a s ARG 76 Ca 0.28 -0.73 -0.30 0.00 -2.50 0.00 0.00 55.73 52.48 1o9a s ARG 76 Cb 0.06 -2.84 -0.07 0.00 0.06 0.00 0.00 34.95 32.16 1o9a s ARG 76 CO 0.08 0.48 2.20 1.55 -2.50 0.00 0.00 175.30 177.11 1o9a n VAL 77 N -0.72 0.35 0.00 7.11 3.14 -1.07 -2.01 118.33 125.13 1o9a n VAL 77 Ca -0.08 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1o9a n VAL 77 Cb 0.55 -2.37 0.00 0.00 -1.06 0.00 0.00 33.84 30.97 1o9a n VAL 77 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o9a n GLY 78 N 5.81 1.66 3.59 7.55 0.00 -1.10 -4.97 105.19 117.72 1o9a n GLY 78 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 1o9a n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o9a s ASP 79 N -2.00 3.88 0.05 1.61 1.01 -0.85 -5.02 116.67 115.35 1o9a s ASP 79 Ca 0.00 -1.20 -0.01 0.00 0.71 0.00 0.00 52.55 52.06 1o9a s ASP 79 Cb 0.00 -0.40 -0.04 0.00 1.01 0.00 0.00 42.92 43.49 1o9a s ASP 79 CO 0.00 -0.28 -0.03 0.42 0.21 0.00 0.00 175.17 175.48 1o9a s THR 80 N -2.62 0.27 0.15 -1.27 -4.23 -1.26 -0.70 115.64 105.98 1o9a s THR 80 Ca 0.34 -1.76 -0.20 0.00 -1.18 0.00 0.00 61.69 58.89 1o9a s THR 80 Cb 0.04 -1.45 0.05 0.00 1.34 0.00 0.00 72.50 72.48 1o9a s THR 80 CO 0.18 -0.95 0.51 -0.72 -0.54 0.00 0.00 174.62 173.10 1o9a s TYR 81 N -3.70 -0.38 -0.21 3.99 1.13 -1.01 -4.97 117.35 112.21 1o9a s TYR 81 Ca 0.06 0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.83 1o9a s TYR 81 Cb 0.06 0.43 0.01 0.00 -1.10 0.00 0.00 41.96 41.36 1o9a s TYR 81 CO -0.09 -0.79 -0.11 -1.21 -2.51 0.00 0.00 175.55 170.84 1o9a s GLU 82 N -3.78 3.15 -0.00 -3.49 2.02 -1.26 -2.90 118.70 112.43 1o9a s GLU 82 Ca 0.02 -0.75 -0.00 0.00 0.02 0.00 0.00 54.97 54.25 1o9a s GLU 82 Cb 0.00 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.42 1o9a s GLU 82 CO -0.12 -0.22 0.01 1.03 0.02 0.00 0.00 175.26 175.98 1o9a s ARG 83 N 1.38 0.02 0.72 1.61 1.81 -0.63 -5.02 118.95 118.84 1o9a s ARG 83 Ca 0.05 0.01 -0.11 0.00 -1.72 0.00 0.00 55.73 53.96 1o9a s ARG 83 Cb -0.14 0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.39 1o9a s ARG 83 CO -0.08 -0.00 1.08 -1.25 -0.68 0.00 0.00 175.30 174.37 1o9a s PRO 84 N -0.00 2.72 -0.29 3.54 0.04 -1.26 -0.43 135.00 139.31 1o9a s PRO 84 Ca -0.00 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 61.53 1o9a s PRO 84 Cb -0.00 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 32.72 1o9a s PRO 84 CO 0.00 -1.18 1.18 0.21 0.04 0.00 0.00 177.00 177.25 1o9a s LYS 85 N -5.19 0.22 -1.10 4.56 2.20 0.29 -4.71 119.74 116.02 1o9a s LYS 85 Ca 0.59 0.33 -0.10 0.00 -0.36 0.00 0.00 55.97 56.43 1o9a s LYS 85 Cb -0.13 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 1o9a s LYS 85 CO 0.54 -0.04 0.88 -3.47 -0.36 0.00 0.00 175.35 172.89 1o9a n ASP 86 N 2.79 -5.72 0.00 1.43 2.03 -1.26 -1.48 116.55 114.33 1o9a n ASP 86 Ca -0.15 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.36 1o9a n ASP 86 Cb 0.57 -4.61 0.00 0.00 -0.72 0.00 0.00 41.12 36.36 1o9a n ASP 86 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1o9a n SER 87 N -3.05 -4.49 -0.98 1.67 2.88 -1.26 -4.86 113.62 103.53 1o9a n SER 87 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1o9a n SER 87 Cb 0.62 -2.79 0.00 0.00 -0.75 0.00 0.00 64.21 61.29 1o9a n SER 87 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1o9a n MET 88 N 0.71 2.27 -3.69 -1.46 2.00 -0.55 -5.15 117.12 111.24 1o9a n MET 88 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 1o9a n MET 88 Cb 0.37 0.00 -0.18 0.00 0.00 0.00 0.00 33.22 33.42 1o9a n MET 88 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1o9a s ILE 89 N -0.42 0.00 -0.14 2.02 1.10 -1.26 -0.55 121.20 121.96 1o9a s ILE 89 Ca 0.00 0.35 -0.03 0.00 -0.51 0.00 0.00 60.65 60.46 1o9a s ILE 89 Cb 0.00 -0.25 -0.03 0.00 0.15 0.00 0.00 42.46 42.34 1o9a s ILE 89 CO 0.00 0.19 -0.05 0.26 -2.11 0.00 0.00 174.94 173.23 1o9a s TRP 90 N 2.12 2.99 -1.23 3.50 0.52 0.42 -1.82 118.94 125.45 1o9a s TRP 90 Ca 0.05 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 55.83 1o9a s TRP 90 Cb -0.12 -1.91 0.19 0.00 -1.15 0.00 0.00 33.47 30.48 1o9a s TRP 90 CO -0.04 0.01 2.01 -3.47 0.02 0.00 0.00 176.95 175.48 1o9a n ASP 91 N 3.33 6.75 -4.73 2.95 -0.08 0.92 -1.61 116.55 124.07 1o9a n ASP 91 Ca -0.18 -3.25 -0.42 0.00 -1.51 0.00 0.00 54.79 49.44 1o9a n ASP 91 Cb 0.53 -1.36 -0.02 0.00 2.34 0.00 0.00 41.12 42.61 1o9a n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1o9a s THR 93 N -0.21 2.92 -0.27 0.00 -4.23 0.12 -2.39 115.64 111.58 1o9a s THR 93 Ca 0.63 -1.07 -0.15 0.00 -1.18 0.00 0.00 61.69 59.92 1o9a s THR 93 Cb -0.53 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1o9a s THR 93 CO 0.51 0.38 0.39 0.00 -0.54 0.00 0.00 174.62 175.37 1o9a n ILE 95 N 5.09 0.00 0.04 0.00 2.08 -0.57 -2.69 119.36 123.31 1o9a n ILE 95 Ca -0.08 -1.95 0.00 0.00 0.56 0.00 0.00 62.75 61.28 1o9a n ILE 95 Cb 0.51 0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.62 1o9a n ILE 95 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1o9a n GLY 96 N -0.25 -1.11 3.55 7.39 0.00 -1.26 -2.93 105.19 110.59 1o9a n GLY 96 Ca -0.12 0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1o9a n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o9a n ALA 97 N -2.71 -2.25 -1.78 4.61 0.00 -1.26 -0.97 120.51 116.14 1o9a n ALA 97 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 1o9a n ALA 97 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 19.45 15.93 1o9a n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o9a n GLY 98 N -1.46 1.25 0.00 0.00 0.00 -1.26 -4.73 105.19 99.00 1o9a n GLY 98 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1o9a n GLY 98 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1o9a n ARG 99 N -2.55 0.00 0.00 1.61 3.00 -0.55 -4.97 116.66 113.20 1o9a n ARG 99 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1o9a n ARG 99 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.10 1o9a n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1o9a n GLY 100 N 0.33 0.13 3.74 5.14 0.00 -0.15 -4.84 105.19 109.55 1o9a n GLY 100 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1o9a n GLY 100 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1o9a s ARG 101 N 0.00 2.47 -0.26 1.61 1.70 -1.15 -4.91 118.95 118.40 1o9a s ARG 101 Ca 0.00 -1.44 0.02 0.00 -0.47 0.00 0.00 55.73 53.84 1o9a s ARG 101 Cb 0.00 -2.26 0.07 0.00 -0.57 0.00 0.00 34.95 32.19 1o9a s ARG 101 CO 0.00 0.18 -0.06 0.42 -1.08 0.00 0.00 175.30 174.76 1o9a s ILE 102 N -2.36 1.89 -0.09 4.99 1.01 -1.26 -1.51 121.20 123.87 1o9a s ILE 102 Ca 0.36 -1.55 -0.23 0.00 0.00 0.00 0.00 60.65 59.24 1o9a s ILE 102 Cb -0.04 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1o9a s ILE 102 CO 0.23 -0.14 0.67 -0.44 0.00 0.00 0.00 174.94 175.26 1o9a s SER 103 N 1.21 6.91 -0.17 3.58 0.01 -0.64 -4.97 113.70 119.63 1o9a s SER 103 Ca -0.05 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.31 1o9a s SER 103 Cb -0.19 -2.39 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1o9a s SER 103 CO -0.06 -0.13 -0.17 0.00 0.41 0.00 0.00 173.24 173.28 1o9a s THR 105 N 1.16 1.63 0.48 0.00 2.01 -1.26 -4.96 115.64 114.71 1o9a s THR 105 Ca 0.01 -1.60 -0.15 0.00 0.31 0.00 0.00 61.69 60.27 1o9a s THR 105 Cb -0.14 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.74 1o9a s THR 105 CO -0.08 -0.16 0.92 -0.63 -0.69 0.00 0.00 174.62 173.99 1o9a s ILE 106 N -1.43 4.61 -0.42 1.82 -1.09 -1.26 -0.06 121.20 123.38 1o9a s ILE 106 Ca 0.07 1.03 0.03 0.00 -2.23 0.00 0.00 60.65 59.55 1o9a s ILE 106 Cb -0.09 -3.73 0.27 0.00 -1.58 0.00 0.00 42.46 37.33 1o9a s ILE 106 CO 0.04 -0.65 1.07 0.00 -1.23 0.00 0.00 174.94 174.17 1o9a n ALA 107 N -1.52 -2.24 -2.00 9.38 0.00 -0.76 -4.63 120.51 118.74 1o9a n ALA 107 Ca 0.05 -0.95 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 1o9a n ALA 107 Cb 0.54 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 1o9a n ALA 107 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1o9a s ASN 108 N -1.05 6.12 0.00 0.00 3.84 -1.25 -4.78 114.94 117.82 1o9a s ASN 108 Ca 0.28 1.59 0.25 0.00 0.21 0.00 0.00 52.86 55.19 1o9a s ASN 108 Cb 0.23 -2.53 0.30 0.00 -0.55 0.00 0.00 41.25 38.71 1o9a s ASN 108 CO -0.17 -1.48 1.32 0.54 -2.79 0.00 0.00 177.10 174.53