#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihs s ALA 0 N 0.00 3.45 -0.09 -2.53 0.00 -1.26 -5.22 121.76 116.10 3ihs s ALA 0 Ca 0.00 -2.40 -0.30 0.00 0.00 0.00 0.00 51.96 49.27 3ihs s ALA 0 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 23.12 20.28 3ihs s ALA 0 CO 0.00 -1.85 0.68 0.54 0.00 0.00 0.00 175.76 175.13 3ihs s VAL 2 N 1.46 0.00 -0.16 0.00 0.11 -0.77 -4.80 120.40 116.24 3ihs s VAL 2 Ca 0.04 -0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.93 3ihs s VAL 2 Cb -0.26 -0.99 0.04 0.00 -1.53 0.00 0.00 36.38 33.64 3ihs s VAL 2 CO 0.02 -0.00 0.45 -1.58 -3.33 0.00 0.00 175.10 170.65 3ihs s GLN 3 N -0.91 0.55 -0.04 1.54 0.74 -1.26 -0.95 119.66 119.31 3ihs s GLN 3 Ca -0.09 0.59 -0.14 0.00 0.05 0.00 0.00 55.36 55.77 3ihs s GLN 3 Cb -0.01 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.39 3ihs s GLN 3 CO 0.08 -0.07 0.31 0.15 -0.55 0.00 0.00 175.29 175.21 3ihs s LYS 4 N 0.14 0.59 -0.15 1.67 1.02 -0.55 -4.99 119.74 117.47 3ihs s LYS 4 Ca -0.01 -0.01 -0.15 0.00 0.02 0.00 0.00 55.97 55.82 3ihs s LYS 4 Cb -0.03 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 3ihs s LYS 4 CO 0.01 -0.14 0.35 0.50 -0.92 0.00 0.00 175.35 175.15 3ihs s ARG 5 N -0.91 4.29 0.01 1.68 3.52 -1.26 -1.06 118.95 125.21 3ihs s ARG 5 Ca -0.10 0.21 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 3ihs s ARG 5 Cb -0.04 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3ihs s ARG 5 CO 0.03 0.21 -0.07 0.08 -0.81 0.00 0.00 175.30 174.74 3ihs s VAL 6 N 0.53 0.56 -0.21 7.11 1.01 0.73 -4.97 120.40 125.16 3ihs s VAL 6 Ca 0.20 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.55 3ihs s VAL 6 Cb -0.14 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3ihs s VAL 6 CO 0.06 0.04 0.33 -1.58 0.00 0.00 0.00 175.10 173.95 3ihs s GLN 7 N -0.49 4.14 -0.32 2.72 0.74 -1.26 -1.08 119.66 124.11 3ihs s GLN 7 Ca 0.00 0.07 -0.26 0.00 0.05 0.00 0.00 55.36 55.22 3ihs s GLN 7 Cb -0.04 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.53 3ihs s GLN 7 CO -0.00 -0.02 0.92 0.08 -0.55 0.00 0.00 175.29 175.72 3ihs s VAL 8 N 1.28 4.65 -2.03 1.34 1.01 -0.02 -4.11 120.40 122.52 3ihs s VAL 8 Ca 0.16 1.40 0.17 0.00 0.00 0.00 0.00 61.98 63.72 3ihs s VAL 8 Cb -0.14 -4.28 0.11 0.00 0.00 0.00 0.00 36.38 32.06 3ihs s VAL 8 CO 0.07 -0.38 1.01 -1.54 0.00 0.00 0.00 175.10 174.26 3ihs n SER 9 N 6.55 2.28 -4.72 3.32 3.41 0.16 -0.40 113.62 124.22 3ihs n SER 9 Ca 0.08 -1.64 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 3ihs n SER 9 Cb 0.48 0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3ihs n SER 9 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ihs n LEU 10 N 0.75 3.90 -0.14 1.04 4.77 -1.21 -4.82 117.00 121.28 3ihs n LEU 10 Ca 0.09 1.19 -0.02 0.00 -0.03 0.00 0.00 56.01 57.24 3ihs n LEU 10 Cb 0.42 -1.53 0.20 0.00 -2.33 0.00 0.00 43.42 40.18 3ihs n LEU 10 CO 0.13 -0.23 1.02 0.11 -1.33 0.00 0.00 177.39 177.09 3ihs h LYS 11 N 3.28 0.85 -0.01 3.23 1.79 -1.96 -1.89 116.57 121.87 3ihs h LYS 11 Ca -0.47 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 57.84 3ihs h LYS 11 Cb 1.26 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3ihs h LYS 11 CO 0.68 0.74 -0.03 0.09 -1.08 0.00 0.00 179.45 179.84 3ihs n ASN 12 N -4.30 0.79 -0.19 0.86 4.13 -1.26 -4.65 115.26 110.64 3ihs n ASN 12 Ca 0.04 -1.14 0.00 0.00 1.68 0.00 0.00 54.58 55.17 3ihs n ASN 12 Cb 0.20 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 3ihs n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ihs n GLY 13 N 1.14 -0.65 2.99 7.41 0.00 -0.71 -3.54 105.19 111.84 3ihs n GLY 13 Ca 0.19 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3ihs n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ihs n LEU 14 N 0.00 6.43 -4.24 0.99 7.94 0.46 -4.72 117.00 123.86 3ihs n LEU 14 Ca 0.00 -5.05 -0.18 0.00 -1.11 0.00 0.00 56.01 49.68 3ihs n LEU 14 Cb 0.00 -1.34 -0.08 0.00 0.53 0.00 0.00 43.42 42.53 3ihs n LEU 14 CO 0.00 1.58 -0.09 -1.10 -1.11 0.00 0.00 177.39 176.67 3ihs s GLN 15 N -1.82 1.70 5.07 1.96 -0.21 -1.23 -4.43 119.66 120.70 3ihs s GLN 15 Ca 0.33 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.79 3ihs s GLN 15 Cb 0.05 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.40 3ihs s GLN 15 CO 0.07 -0.63 0.00 0.00 -2.12 0.00 0.00 175.29 172.61 3ihs n ALA 16 N -0.56 0.00 0.01 6.09 0.00 -1.26 -1.75 120.51 123.04 3ihs n ALA 16 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.37 3ihs n ALA 16 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.08 3ihs n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3ihs h ARG 17 N 0.00 0.58 -0.90 0.00 9.65 -1.98 -2.88 114.38 118.86 3ihs h ARG 17 Ca 0.00 -0.45 0.11 0.00 -1.10 0.00 0.00 59.98 58.54 3ihs h ARG 17 Cb 0.00 0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.60 3ihs h ARG 17 CO 0.00 1.07 0.58 -1.35 2.80 0.00 0.00 179.97 183.07 3ihs h PRO 18 N 0.41 0.83 -0.40 0.20 0.11 -1.86 -1.21 132.00 130.08 3ihs h PRO 18 Ca -0.03 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.96 3ihs h PRO 18 Cb 1.29 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3ihs h PRO 18 CO 0.13 0.55 -0.02 0.00 -0.21 0.00 0.00 178.00 178.45 3ihs h ALA 19 N 1.56 0.55 -0.41 -0.75 0.00 -1.27 -1.41 119.26 117.53 3ihs h ALA 19 Ca 0.42 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ihs h ALA 19 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3ihs h ALA 19 CO -0.19 0.34 0.26 0.00 0.00 0.00 0.00 179.25 179.66 3ihs h ALA 20 N 0.88 0.52 -0.14 0.00 0.00 -1.16 -1.12 119.26 118.24 3ihs h ALA 20 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3ihs h ALA 20 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ihs h ALA 20 CO 0.02 -0.06 -0.37 -0.07 0.00 0.00 0.00 179.25 178.77 3ihs h LEU 21 N 0.52 0.32 -0.44 0.00 3.38 -1.20 -1.35 115.31 116.54 3ihs h LEU 21 Ca 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ihs h LEU 21 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ihs h LEU 21 CO -0.05 0.67 0.25 0.15 0.09 0.00 0.00 178.44 179.55 3ihs h PHE 22 N 0.26 0.60 -0.32 1.13 3.57 -0.89 -0.27 116.94 121.03 3ihs h PHE 22 Ca 0.03 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3ihs h PHE 22 Cb 0.78 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3ihs h PHE 22 CO 0.02 0.45 -0.31 0.28 -2.23 0.00 0.00 178.31 176.51 3ihs h VAL 23 N 0.58 1.28 -0.51 1.41 2.07 -1.02 0.93 116.25 120.99 3ihs h VAL 23 Ca 0.16 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3ihs h VAL 23 Cb 0.04 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ihs h VAL 23 CO -0.03 0.47 0.32 -0.61 0.02 0.00 0.00 177.57 177.74 3ihs h GLN 24 N 0.58 0.69 -0.41 1.57 4.15 -1.00 -1.37 115.11 119.32 3ihs h GLN 24 Ca 0.07 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3ihs h GLN 24 Cb 0.82 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3ihs h GLN 24 CO 0.07 0.49 0.06 1.49 -1.93 0.00 0.00 178.83 179.01 3ihs h GLU 25 N 0.68 0.67 -0.91 1.69 4.57 -0.67 -2.69 114.58 117.92 3ihs h GLU 25 Ca 0.18 -0.18 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 3ihs h GLU 25 Cb -0.03 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.41 3ihs h GLU 25 CO -0.04 0.72 0.56 0.00 -1.18 0.00 0.00 179.01 179.07 3ihs h ALA 26 N 0.93 1.29 0.00 2.92 0.00 -0.59 -1.45 119.26 122.35 3ihs h ALA 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ihs h ALA 26 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ihs h ALA 26 CO 0.01 0.27 0.00 -0.91 0.00 0.00 0.00 179.25 178.61 3ihs h ASN 27 N 0.98 0.00 1.29 0.00 2.35 -0.91 -2.47 115.58 116.81 3ihs h ASN 27 Ca 0.41 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 3ihs h ASN 27 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3ihs h ASN 27 CO -0.21 0.00 -0.19 -0.09 -1.65 0.00 0.00 177.43 175.30 3ihs h ARG 28 N 0.00 0.00 -6.70 0.81 2.43 -1.17 -3.46 114.38 106.29 3ihs h ARG 28 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 3ihs h ARG 28 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ihs h ARG 28 CO 0.00 0.19 0.02 -0.06 -1.51 0.00 0.00 179.97 178.61 3ihs s PHE 29 N -3.43 3.46 0.10 2.20 0.08 -0.93 -5.00 117.98 114.46 3ihs s PHE 29 Ca 0.03 0.92 -0.11 0.00 0.12 0.00 0.00 56.93 57.88 3ihs s PHE 29 Cb 0.08 -2.33 -0.17 0.00 -0.57 0.00 0.00 43.02 40.03 3ihs s PHE 29 CO 0.65 0.01 1.26 0.45 -0.10 0.00 0.00 175.22 177.49 3ihs h HIS 30 N 1.52 0.97 -4.16 0.36 3.86 -1.89 -3.46 115.15 112.34 3ihs h HIS 30 Ca -0.47 -0.49 -0.55 0.00 -1.16 0.00 0.00 60.37 57.70 3ihs h HIS 30 Cb 1.19 -0.13 0.17 0.00 1.06 0.00 0.00 27.41 29.70 3ihs h HIS 30 CO 0.60 1.32 0.42 0.00 0.86 0.00 0.00 177.93 181.13 3ihs s ALA 31 N -3.47 2.10 0.31 2.45 0.00 -1.26 -4.88 121.76 117.01 3ihs s ALA 31 Ca -0.09 1.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 3ihs s ALA 31 Cb 0.08 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3ihs s ALA 31 CO 0.90 -1.96 1.02 -0.51 0.00 0.00 0.00 175.76 175.22 3ihs s ASP 32 N -1.80 7.24 -0.03 0.00 1.01 -0.32 -4.89 116.67 117.88 3ihs s ASP 32 Ca 0.78 2.05 0.00 0.00 0.71 0.00 0.00 52.55 56.09 3ihs s ASP 32 Cb -0.33 -2.60 0.03 0.00 1.01 0.00 0.00 42.92 41.03 3ihs s ASP 32 CO 0.45 -0.15 0.00 -0.63 0.21 0.00 0.00 175.17 175.06 3ihs s ILE 33 N -1.39 0.14 0.06 0.77 1.01 -1.26 -1.39 121.20 119.15 3ihs s ILE 33 Ca 0.48 0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.29 3ihs s ILE 33 Cb -0.25 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 3ihs s ILE 33 CO 0.32 0.13 -0.14 -0.36 0.00 0.00 0.00 174.94 174.89 3ihs s PHE 34 N 1.00 1.24 -0.06 3.97 0.08 0.41 -0.71 117.98 123.91 3ihs s PHE 34 Ca -0.10 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.57 3ihs s PHE 34 Cb -0.13 -0.71 -0.00 0.00 -0.57 0.00 0.00 43.02 41.61 3ihs s PHE 34 CO -0.02 0.06 -0.20 0.42 -0.10 0.00 0.00 175.22 175.38 3ihs s ILE 35 N -1.14 1.65 -0.09 0.64 -1.09 -0.25 -1.14 121.20 119.78 3ihs s ILE 35 Ca -0.01 -0.82 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 3ihs s ILE 35 Cb -0.09 -1.43 -0.01 0.00 -1.58 0.00 0.00 42.46 39.35 3ihs s ILE 35 CO 0.02 0.47 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.41 3ihs s GLU 36 N 0.15 2.95 -0.04 2.79 2.02 0.10 -0.89 118.70 125.78 3ihs s GLU 36 Ca -0.09 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 3ihs s GLU 36 Cb -0.14 -2.42 0.03 0.00 0.10 0.00 0.00 34.13 31.71 3ihs s GLU 36 CO 0.04 0.33 0.08 0.21 0.02 0.00 0.00 175.26 175.94 3ihs s LYS 37 N 0.00 -0.00 -1.54 1.61 2.20 -0.25 -1.13 119.74 120.63 3ihs s LYS 37 Ca -0.06 0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.73 3ihs s LYS 37 Cb -0.15 -0.27 0.08 0.00 -1.51 0.00 0.00 37.83 35.99 3ihs s LYS 37 CO 0.05 -0.20 0.85 -0.25 -0.36 0.00 0.00 175.35 175.43 3ihs n ASP 38 N 4.44 -3.59 0.00 1.43 8.00 -1.26 -1.50 116.55 124.08 3ihs n ASP 38 Ca -0.22 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.42 3ihs n ASP 38 Cb 0.50 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 3ihs n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihs n GLY 39 N -1.64 1.73 3.69 0.44 0.00 -1.26 -5.02 105.19 103.13 3ihs n GLY 39 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3ihs n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihs s LYS 40 N -0.17 3.52 -0.06 1.61 1.02 -0.56 -5.10 119.74 120.00 3ihs s LYS 40 Ca 0.00 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.71 3ihs s LYS 40 Cb 0.00 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3ihs s LYS 40 CO 0.00 0.52 -0.23 0.99 -0.92 0.00 0.00 175.35 175.71 3ihs s THR 41 N -0.33 1.89 0.17 2.17 2.01 -1.26 -1.09 115.64 119.20 3ihs s THR 41 Ca 0.08 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.17 3ihs s THR 41 Cb -0.12 -1.61 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 3ihs s THR 41 CO 0.02 0.53 -0.08 0.68 -0.69 0.00 0.00 174.62 175.07 3ihs s VAL 42 N -0.02 1.21 -0.10 3.82 -7.23 -0.07 -4.97 120.40 113.04 3ihs s VAL 42 Ca -0.06 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.74 3ihs s VAL 42 Cb -0.14 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3ihs s VAL 42 CO 0.04 -0.63 1.16 0.21 -0.31 0.00 0.00 175.10 175.58 3ihs s ASN 43 N -3.22 7.07 0.53 4.85 3.84 -1.26 -1.09 114.94 125.65 3ihs s ASN 43 Ca 0.20 1.71 0.35 0.00 0.21 0.00 0.00 52.86 55.33 3ihs s ASN 43 Cb 0.03 -2.55 1.70 0.00 -0.55 0.00 0.00 41.25 39.88 3ihs s ASN 43 CO 0.03 -0.60 2.05 0.00 -2.79 0.00 0.00 177.10 175.80 3ihs h ALA 44 N 7.52 1.00 -0.01 1.71 0.00 -1.24 -1.22 119.26 127.03 3ihs h ALA 44 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3ihs h ALA 44 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ihs h ALA 44 CO 0.90 0.00 -0.01 1.63 0.00 0.00 0.00 179.25 181.77 3ihs n LYS 45 N -2.86 1.24 -3.69 0.00 5.02 -1.26 -4.50 118.16 112.11 3ihs n LYS 45 Ca -0.01 -0.42 -0.38 0.00 -2.02 0.00 0.00 58.31 55.48 3ihs n LYS 45 Cb 0.17 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 3ihs n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3ihs s SER 46 N -2.05 5.40 0.00 4.39 0.15 -0.46 -4.91 113.70 116.22 3ihs s SER 46 Ca 0.42 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.64 3ihs s SER 46 Cb 0.21 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 3ihs s SER 46 CO 0.37 -0.14 0.77 0.00 1.20 0.00 0.00 173.24 175.44 3ihs n ILE 47 N 4.96 0.77 0.00 6.45 0.13 -1.26 -1.31 119.36 129.09 3ihs n ILE 47 Ca -0.15 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.42 3ihs n ILE 47 Cb 0.50 -0.94 0.00 0.00 -0.84 0.00 0.00 39.64 38.36 3ihs n ILE 47 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3ihs n GLY 49 N 0.96 0.00 0.93 4.50 0.00 -1.26 -4.56 105.19 105.76 3ihs n GLY 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ihs n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ihs n ILE 50 N 0.00 0.00 0.00 -0.61 2.08 -0.43 -2.91 119.36 117.49 3ihs n ILE 50 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3ihs n ILE 50 Cb 0.00 -0.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.56 3ihs n ILE 50 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 3ihs n SER 52 N 0.82 0.00 0.11 4.38 3.41 -1.26 -3.85 113.62 117.23 3ihs n SER 52 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3ihs n SER 52 Cb 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 3ihs n SER 52 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ihs n LEU 53 N 0.00 0.84 -3.83 1.04 4.77 -1.15 -4.95 117.00 113.71 3ihs n LEU 53 Ca 0.00 0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 56.24 3ihs n LEU 53 Cb 0.00 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3ihs n LEU 53 CO 0.00 -0.18 -0.15 0.00 -1.33 0.00 0.00 177.39 175.73 3ihs n ALA 54 N -1.80 -2.35 -2.54 -1.18 0.00 -1.25 -4.84 120.51 106.55 3ihs n ALA 54 Ca 0.05 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 3ihs n ALA 54 Cb 0.43 -2.93 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 3ihs n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ihs s ILE 55 N -3.67 3.73 0.62 0.00 1.01 -1.26 -5.00 121.20 116.63 3ihs s ILE 55 Ca 0.29 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 3ihs s ILE 55 Cb -0.11 -4.90 0.05 0.00 0.01 0.00 0.00 42.46 37.51 3ihs s ILE 55 CO 0.89 -1.82 0.89 -0.83 0.00 0.00 0.00 174.94 174.06 3ihs s GLY 56 N 3.76 1.76 0.31 6.18 0.00 -1.26 -0.40 107.32 117.67 3ihs s GLY 56 Ca 0.36 -1.15 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 3ihs s GLY 56 CO 0.16 -0.80 1.40 -0.37 0.00 0.00 0.00 173.10 173.48 3ihs n THR 57 N -2.62 1.54 -0.39 0.90 5.66 -1.26 -2.14 114.28 115.96 3ihs n THR 57 Ca 0.08 -0.39 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 3ihs n THR 57 Cb 0.60 -1.66 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 3ihs n THR 57 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ihs n GLY 58 N 1.36 1.38 0.00 1.09 0.00 0.47 -5.00 105.19 104.49 3ihs n GLY 58 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3ihs n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ihs n SER 59 N 0.00 0.00 0.00 1.61 7.64 -0.91 -4.66 113.62 117.30 3ihs n SER 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3ihs n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3ihs n SER 59 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3ihs n ILE 61 N 0.00 0.00 -4.44 0.44 -5.35 -0.24 -0.84 119.36 108.93 3ihs n ILE 61 Ca 0.00 0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 3ihs n ILE 61 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 37.76 3ihs n ILE 61 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3ihs s THR 62 N -2.00 3.28 -0.17 7.28 2.01 -0.28 -0.19 115.64 125.56 3ihs s THR 62 Ca 0.00 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 3ihs s THR 62 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3ihs s THR 62 CO 0.00 0.49 0.06 -0.63 -0.69 0.00 0.00 174.62 173.85 3ihs s ILE 63 N 0.70 4.79 -0.04 1.82 1.01 -0.23 -0.72 121.20 128.53 3ihs s ILE 63 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.60 3ihs s ILE 63 Cb -0.15 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.18 3ihs s ILE 63 CO 0.02 0.48 -0.14 -0.89 0.00 0.00 0.00 174.94 174.41 3ihs s THR 64 N 0.20 1.23 0.08 2.92 2.01 -0.30 -1.48 115.64 120.31 3ihs s THR 64 Ca 0.04 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.48 3ihs s THR 64 Cb -0.12 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 3ihs s THR 64 CO 0.00 0.36 -0.10 0.42 -0.69 0.00 0.00 174.62 174.62 3ihs s THR 65 N 0.17 0.83 -0.22 -0.82 -4.23 -0.13 -0.45 115.64 110.79 3ihs s THR 65 Ca -0.05 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 58.92 3ihs s THR 65 Cb -0.11 -1.11 0.09 0.00 1.34 0.00 0.00 72.50 72.70 3ihs s THR 65 CO 0.02 -0.47 0.51 -0.70 -0.54 0.00 0.00 174.62 173.44 3ihs s GLU 66 N -2.32 0.46 0.00 3.99 2.12 -0.48 -1.85 118.70 120.62 3ihs s GLU 66 Ca -0.00 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.40 3ihs s GLU 66 Cb -0.06 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.62 3ihs s GLU 66 CO 0.00 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 3ihs n GLY 67 N 4.86 -0.51 0.29 -1.50 0.00 -1.26 -1.17 105.19 105.89 3ihs n GLY 67 Ca -0.16 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 3ihs n GLY 67 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ihs h SER 68 N 0.00 0.89 -0.76 1.61 4.64 -1.97 -2.52 113.55 115.43 3ihs h SER 68 Ca 0.00 -0.08 -0.40 0.00 -0.47 0.00 0.00 61.79 60.83 3ihs h SER 68 Cb 0.00 -0.23 -0.24 0.00 -0.31 0.00 0.00 62.40 61.63 3ihs h SER 68 CO 0.00 0.71 0.38 -0.90 -0.87 0.00 0.00 176.83 176.16 3ihs n ASP 69 N -4.50 3.39 -0.16 4.97 5.68 -1.26 -4.78 116.55 119.89 3ihs n ASP 69 Ca 0.06 -3.69 -0.03 0.00 -0.50 0.00 0.00 54.79 50.63 3ihs n ASP 69 Cb 0.08 -0.77 0.06 0.00 -1.14 0.00 0.00 41.12 39.35 3ihs n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ihs h ALA 70 N 1.04 0.60 -0.37 2.12 0.00 -1.79 -0.21 119.26 120.66 3ihs h ALA 70 Ca 0.49 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 3ihs h ALA 70 Cb 2.37 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.18 3ihs h ALA 70 CO 0.86 -0.20 -0.20 1.49 0.00 0.00 0.00 179.25 181.20 3ihs h GLU 71 N 0.37 0.79 -0.48 0.00 4.57 -1.86 -1.23 114.58 116.73 3ihs h GLU 71 Ca 0.23 -0.35 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3ihs h GLU 71 Cb 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3ihs h GLU 71 CO -0.23 0.98 0.30 1.49 -1.18 0.00 0.00 179.01 180.37 3ihs h GLU 72 N 0.58 0.59 -0.19 1.92 4.81 -1.88 -0.82 114.58 119.59 3ihs h GLU 72 Ca 0.08 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ihs h GLU 72 Cb 0.75 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3ihs h GLU 72 CO 0.06 0.39 0.11 0.00 -0.73 0.00 0.00 179.01 178.84 3ihs h ALA 73 N 1.20 0.24 -0.29 2.92 0.00 -0.90 -0.18 119.26 122.24 3ihs h ALA 73 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ihs h ALA 73 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3ihs h ALA 73 CO -0.07 -0.26 0.13 1.25 0.00 0.00 0.00 179.25 180.30 3ihs h LEU 74 N 0.23 0.39 -0.83 0.00 6.46 -0.99 -1.41 115.31 119.16 3ihs h LEU 74 Ca 0.07 -0.14 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 3ihs h LEU 74 Cb 0.01 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3ihs h LEU 74 CO -0.01 0.43 -0.31 -0.33 -0.62 0.00 0.00 178.44 177.59 3ihs h GLU 75 N 0.33 0.51 -0.33 1.25 5.08 -1.04 -0.49 114.58 119.90 3ihs h GLU 75 Ca 0.10 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3ihs h GLU 75 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3ihs h GLU 75 CO -0.01 0.77 0.05 0.00 -1.00 0.00 0.00 179.01 178.81 3ihs h ALA 76 N 1.23 0.44 -0.24 3.43 0.00 -0.84 -0.64 119.26 122.64 3ihs h ALA 76 Ca 0.05 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3ihs h ALA 76 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3ihs h ALA 76 CO 0.06 0.14 -0.40 -0.07 0.00 0.00 0.00 179.25 178.98 3ihs h LEU 77 N 0.38 0.61 -0.44 0.00 3.38 -1.08 -1.07 115.31 117.07 3ihs h LEU 77 Ca 0.10 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3ihs h LEU 77 Cb 0.36 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ihs h LEU 77 CO 0.01 0.94 0.18 0.00 0.09 0.00 0.00 178.44 179.66 3ihs h ALA 78 N 1.08 0.58 0.00 1.53 0.00 -0.99 -2.58 119.26 118.88 3ihs h ALA 78 Ca 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ihs h ALA 78 Cb 0.91 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ihs h ALA 78 CO 0.08 0.18 -0.07 0.00 0.00 0.00 0.00 179.25 179.44 3ihs h ALA 79 N 1.03 1.08 -0.17 0.00 0.00 -0.89 -0.61 119.26 119.69 3ihs h ALA 79 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3ihs h ALA 79 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ihs h ALA 79 CO -0.01 0.08 -0.22 -0.92 0.00 0.00 0.00 179.25 178.18 3ihs h TYR 80 N 0.00 0.55 0.00 0.00 3.20 -0.82 -3.37 116.97 116.54 3ihs h TYR 80 Ca -0.00 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.63 3ihs h TYR 80 Cb 0.40 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3ihs h TYR 80 CO 0.00 0.85 -1.56 1.33 -1.64 0.00 0.00 178.16 177.14 3ihs n VAL 81 N -4.45 0.56 1.61 1.81 0.24 -1.00 -4.94 118.33 112.15 3ihs n VAL 81 Ca -0.06 -0.58 0.13 0.00 -2.04 0.00 0.00 64.34 61.79 3ihs n VAL 81 Cb 0.42 -0.30 0.76 0.00 -1.47 0.00 0.00 33.84 33.25 3ihs n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69