#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihs s ASN -1 N 0.00 0.03 -0.41 -3.46 2.20 -1.26 -5.30 114.94 106.75 3ihs s ASN -1 Ca 0.00 -1.05 -0.07 0.00 -0.94 0.00 0.00 52.86 50.80 3ihs s ASN -1 Cb 0.00 0.56 0.09 0.00 -2.00 0.00 0.00 41.25 39.90 3ihs s ASN -1 CO 0.00 -1.11 0.23 0.00 -2.94 0.00 0.00 177.10 173.28 3ihs s ALA 0 N -3.94 3.22 -0.17 3.54 0.00 -1.26 -5.22 121.76 117.93 3ihs s ALA 0 Ca 0.26 -2.26 -0.30 0.00 0.00 0.00 0.00 51.96 49.66 3ihs s ALA 0 Cb 0.01 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.71 3ihs s ALA 0 CO 0.10 -1.68 1.01 0.14 0.00 0.00 0.00 175.76 175.33 3ihs s VAL 2 N 1.33 0.00 0.03 0.00 -7.23 -0.63 -4.76 120.40 109.14 3ihs s VAL 2 Ca 0.04 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.09 3ihs s VAL 2 Cb -0.23 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.72 3ihs s VAL 2 CO -0.00 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.04 3ihs s GLN 3 N -1.02 0.71 -0.01 4.82 -2.07 -1.26 -1.06 119.66 119.77 3ihs s GLN 3 Ca -0.01 -0.50 -0.04 0.00 -1.82 0.00 0.00 55.36 52.99 3ihs s GLN 3 Cb -0.01 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3ihs s GLN 3 CO 0.01 -0.21 0.08 0.15 -1.32 0.00 0.00 175.29 174.00 3ihs s LYS 4 N -2.27 0.31 -0.19 9.60 1.02 -0.42 -4.99 119.74 122.80 3ihs s LYS 4 Ca -0.07 -0.25 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 3ihs s LYS 4 Cb -0.02 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 3ihs s LYS 4 CO -0.02 -0.06 0.35 0.50 -0.92 0.00 0.00 175.35 175.20 3ihs s ARG 5 N -0.88 4.19 0.03 1.68 3.52 -1.26 -0.93 118.95 125.30 3ihs s ARG 5 Ca -0.10 0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.66 3ihs s ARG 5 Cb -0.06 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3ihs s ARG 5 CO 0.00 0.05 -0.07 0.14 -0.81 0.00 0.00 175.30 174.61 3ihs s VAL 6 N 1.05 0.47 -0.21 7.11 -7.23 0.24 -4.97 120.40 116.86 3ihs s VAL 6 Ca 0.18 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.23 3ihs s VAL 6 Cb -0.14 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 3ihs s VAL 6 CO 0.07 -0.35 0.31 -1.58 -0.31 0.00 0.00 175.10 173.23 3ihs s GLN 7 N -1.42 4.16 -0.32 4.82 0.74 -1.26 -1.20 119.66 125.18 3ihs s GLN 7 Ca -0.10 0.04 -0.27 0.00 0.05 0.00 0.00 55.36 55.08 3ihs s GLN 7 Cb -0.09 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.51 3ihs s GLN 7 CO 0.00 0.04 0.98 0.08 -0.55 0.00 0.00 175.29 175.84 3ihs s VAL 8 N 1.08 4.60 -2.14 1.34 1.01 0.16 -4.16 120.40 122.29 3ihs s VAL 8 Ca 0.15 1.53 0.18 0.00 0.00 0.00 0.00 61.98 63.84 3ihs s VAL 8 Cb -0.14 -4.33 0.12 0.00 0.00 0.00 0.00 36.38 32.03 3ihs s VAL 8 CO 0.06 -0.42 1.04 -1.54 0.00 0.00 0.00 175.10 174.25 3ihs n SER 9 N 6.66 2.39 -4.69 3.32 3.41 0.02 -0.04 113.62 124.68 3ihs n SER 9 Ca 0.09 -1.69 -0.43 0.00 -0.26 0.00 0.00 58.87 56.58 3ihs n SER 9 Cb 0.47 0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 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 0.87 3.45 0.04 1.04 4.77 -1.23 -4.83 117.00 121.12 3ihs n LEU 10 Ca 0.10 1.20 -0.04 0.00 -0.03 0.00 0.00 56.01 57.24 3ihs n LEU 10 Cb 0.43 -1.47 0.17 0.00 -2.33 0.00 0.00 43.42 40.23 3ihs n LEU 10 CO 0.12 -0.51 0.64 0.11 -1.33 0.00 0.00 177.39 176.42 3ihs h LYS 11 N 2.76 0.40 -0.01 3.23 1.79 -1.96 -2.09 116.57 120.68 3ihs h LYS 11 Ca -0.46 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 57.82 3ihs h LYS 11 Cb 1.28 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3ihs h LYS 11 CO 0.64 0.73 -0.03 0.09 -1.08 0.00 0.00 179.45 179.80 3ihs n ASN 12 N -4.04 1.04 -0.07 0.86 3.02 -1.26 -4.66 115.26 110.15 3ihs n ASN 12 Ca -0.01 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 3ihs n ASN 12 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3ihs n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihs n GLY 13 N 1.15 0.13 2.97 7.41 0.00 -0.79 -3.45 105.19 112.61 3ihs n GLY 13 Ca 0.19 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 6.49 -4.18 0.99 7.94 0.14 -4.71 117.00 123.67 3ihs n LEU 14 Ca 0.00 -5.03 -0.14 0.00 -1.11 0.00 0.00 56.01 49.73 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 1.59 -0.10 -1.10 -1.11 0.00 0.00 177.39 176.66 3ihs s GLN 15 N -1.76 1.49 7.05 1.96 -0.21 -1.22 -4.49 119.66 122.48 3ihs s GLN 15 Ca 0.34 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 54.01 3ihs s GLN 15 Cb 0.06 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.40 3ihs s GLN 15 CO 0.07 -0.55 0.00 0.00 -2.12 0.00 0.00 175.29 172.70 3ihs n ALA 16 N -0.42 0.00 0.01 6.09 0.00 -1.26 -1.83 120.51 123.10 3ihs n ALA 16 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.30 3ihs n ALA 16 Cb 0.64 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 0.70 -0.92 0.00 9.65 -1.98 -3.01 114.38 118.82 3ihs h ARG 17 Ca 0.00 -0.64 0.13 0.00 -1.10 0.00 0.00 59.98 58.38 3ihs h ARG 17 Cb 0.00 0.15 -0.07 0.00 -1.39 0.00 0.00 29.97 28.66 3ihs h ARG 17 CO 0.00 1.24 0.59 -1.35 2.80 0.00 0.00 179.97 183.25 3ihs h PRO 18 N 0.44 0.77 -0.37 0.20 0.11 -1.85 -0.98 132.00 130.32 3ihs h PRO 18 Ca -0.08 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3ihs h PRO 18 Cb 1.51 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 3ihs h PRO 18 CO 0.17 0.51 0.10 0.00 -0.21 0.00 0.00 178.00 178.57 3ihs h ALA 19 N 1.58 0.49 -0.53 -0.75 0.00 -1.37 -1.36 119.26 117.33 3ihs h ALA 19 Ca 0.46 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ihs h ALA 19 Cb 0.64 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3ihs h ALA 19 CO -0.22 0.16 0.33 0.00 0.00 0.00 0.00 179.25 179.51 3ihs h ALA 20 N 0.94 0.67 -0.15 0.00 0.00 -1.18 -1.15 119.26 118.39 3ihs h ALA 20 Ca 0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ihs h ALA 20 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ihs h ALA 20 CO 0.00 0.14 -0.39 -0.07 0.00 0.00 0.00 179.25 178.93 3ihs h LEU 21 N 0.71 0.35 -0.35 0.00 3.38 -1.18 -1.33 115.31 116.90 3ihs h LEU 21 Ca 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ihs h LEU 21 Cb -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3ihs h LEU 21 CO -0.04 0.71 0.22 0.15 0.09 0.00 0.00 178.44 179.57 3ihs h PHE 22 N 0.28 0.45 -0.46 1.13 3.57 -0.87 -0.64 116.94 120.40 3ihs h PHE 22 Ca 0.03 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3ihs h PHE 22 Cb 0.82 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3ihs h PHE 22 CO 0.02 0.31 -0.14 0.28 -2.23 0.00 0.00 178.31 176.55 3ihs h VAL 23 N 0.46 1.27 -0.33 1.41 2.07 -0.99 0.92 116.25 121.04 3ihs h VAL 23 Ca 0.12 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.41 3ihs h VAL 23 Cb -0.01 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3ihs h VAL 23 CO -0.02 0.43 0.17 -0.61 0.02 0.00 0.00 177.57 177.56 3ihs h GLN 24 N 0.78 0.35 -0.40 1.57 4.15 -1.04 -1.07 115.11 119.44 3ihs h GLN 24 Ca 0.12 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3ihs h GLN 24 Cb 0.67 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 3ihs h GLN 24 CO 0.05 0.23 0.15 1.49 -1.93 0.00 0.00 178.83 178.82 3ihs h GLU 25 N 0.36 0.61 -0.81 1.69 4.57 -0.71 -2.69 114.58 117.60 3ihs h GLU 25 Ca 0.14 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3ihs h GLU 25 Cb 0.04 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.48 3ihs h GLU 25 CO -0.09 0.58 0.49 0.00 -1.18 0.00 0.00 179.01 178.81 3ihs h ALA 26 N 1.00 1.10 0.00 2.92 0.00 -0.60 -1.65 119.26 122.03 3ihs h ALA 26 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ihs h ALA 26 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ihs h ALA 26 CO -0.01 0.21 0.00 -0.91 0.00 0.00 0.00 179.25 178.54 3ihs h ASN 27 N 0.89 0.00 1.05 0.00 2.35 -0.87 -2.44 115.58 116.56 3ihs h ASN 27 Ca 0.36 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.06 3ihs h ASN 27 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3ihs h ASN 27 CO -0.18 0.00 -0.21 0.03 -1.65 0.00 0.00 177.43 175.43 3ihs h ARG 28 N 0.00 0.00 -6.59 0.81 3.08 -1.14 -3.46 114.38 107.08 3ihs h ARG 28 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3ihs h ARG 28 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3ihs h ARG 28 CO 0.00 0.21 -0.03 -0.06 -1.07 0.00 0.00 179.97 179.02 3ihs s PHE 29 N -3.57 3.43 0.12 3.04 0.08 -0.92 -5.00 117.98 115.15 3ihs s PHE 29 Ca 0.01 0.95 -0.12 0.00 0.12 0.00 0.00 56.93 57.89 3ihs s PHE 29 Cb 0.10 -2.33 -0.11 0.00 -0.57 0.00 0.00 43.02 40.11 3ihs s PHE 29 CO 0.64 0.14 1.38 0.45 -0.10 0.00 0.00 175.22 177.73 3ihs h HIS 30 N 2.09 1.11 -4.09 0.36 3.86 -1.88 -3.46 115.15 113.12 3ihs h HIS 30 Ca -0.47 -0.42 -0.54 0.00 -1.16 0.00 0.00 60.37 57.78 3ihs h HIS 30 Cb 1.18 -0.20 0.18 0.00 1.06 0.00 0.00 27.41 29.63 3ihs h HIS 30 CO 0.61 1.25 0.29 0.00 0.86 0.00 0.00 177.93 180.94 3ihs n ALA 31 N -2.58 0.01 -1.76 2.45 0.00 -1.26 -4.86 120.51 112.50 3ihs n ALA 31 Ca -0.05 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.72 3ihs n ALA 31 Cb 0.66 -2.22 -0.05 0.00 0.00 0.00 0.00 19.45 17.84 3ihs n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ihs s ASP 32 N -1.94 7.29 -0.02 0.00 1.01 -0.63 -4.90 116.67 117.47 3ihs s ASP 32 Ca 0.74 2.11 0.00 0.00 0.71 0.00 0.00 52.55 56.11 3ihs s ASP 32 Cb -0.31 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 41.04 3ihs s ASP 32 CO 0.50 -0.11 0.02 -0.63 0.21 0.00 0.00 175.17 175.15 3ihs s ILE 33 N -1.29 0.03 0.07 0.77 1.01 -1.26 -1.59 121.20 118.94 3ihs s ILE 33 Ca 0.46 0.15 0.05 0.00 0.00 0.00 0.00 60.65 61.32 3ihs s ILE 33 Cb -0.28 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 3ihs s ILE 33 CO 0.35 0.10 -0.14 -0.36 0.00 0.00 0.00 174.94 174.89 3ihs s PHE 34 N 0.98 1.19 -0.05 3.97 0.08 0.28 -0.65 117.98 123.77 3ihs s PHE 34 Ca -0.09 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.55 3ihs s PHE 34 Cb -0.12 -0.67 -0.00 0.00 -0.57 0.00 0.00 43.02 41.65 3ihs s PHE 34 CO -0.02 0.05 -0.18 0.42 -0.10 0.00 0.00 175.22 175.38 3ihs s ILE 35 N -1.26 1.55 -0.06 0.64 -1.09 -0.23 -0.97 121.20 119.78 3ihs s ILE 35 Ca -0.02 -0.77 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 3ihs s ILE 35 Cb -0.10 -1.33 -0.01 0.00 -1.58 0.00 0.00 42.46 39.44 3ihs s ILE 35 CO 0.02 0.44 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.25 3ihs s GLU 36 N 0.10 2.38 -0.04 2.79 2.12 0.04 -0.91 118.70 125.18 3ihs s GLU 36 Ca -0.06 -0.82 -0.02 0.00 0.36 0.00 0.00 54.97 54.43 3ihs s GLU 36 Cb -0.13 -2.00 0.03 0.00 0.26 0.00 0.00 34.13 32.29 3ihs s GLU 36 CO 0.03 0.32 0.09 0.21 -0.54 0.00 0.00 175.26 175.38 3ihs s LYS 37 N -0.05 0.03 -1.59 4.30 2.20 -0.53 -1.11 119.74 122.99 3ihs s LYS 37 Ca -0.05 0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.72 3ihs s LYS 37 Cb -0.14 -0.21 0.10 0.00 -1.51 0.00 0.00 37.83 36.07 3ihs s LYS 37 CO 0.04 -0.17 0.78 -0.25 -0.36 0.00 0.00 175.35 175.39 3ihs n ASP 38 N 4.21 -3.14 0.00 1.43 8.00 -1.26 -1.57 116.55 124.22 3ihs n ASP 38 Ca -0.27 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.29 3ihs n ASP 38 Cb 0.51 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 -1.60 1.33 3.51 0.44 0.00 -1.26 -5.02 105.19 102.59 3ihs n GLY 39 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3ihs n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ihs s LYS 40 N -0.20 3.72 -0.08 1.61 2.20 -0.61 -5.10 119.74 121.29 3ihs s LYS 40 Ca 0.00 -0.48 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 3ihs s LYS 40 Cb 0.00 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 3ihs s LYS 40 CO 0.00 0.13 -0.19 0.99 -0.36 0.00 0.00 175.35 175.93 3ihs s THR 41 N 0.69 2.63 0.18 3.43 2.01 -1.26 -1.45 115.64 121.87 3ihs s THR 41 Ca 0.00 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.20 3ihs s THR 41 Cb -0.14 -2.03 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3ihs s THR 41 CO 0.02 0.56 -0.08 0.68 -0.69 0.00 0.00 174.62 175.12 3ihs s VAL 42 N -0.14 1.22 -0.11 3.82 -7.23 -0.08 -4.97 120.40 112.91 3ihs s VAL 42 Ca -0.03 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 3ihs s VAL 42 Cb -0.14 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 3ihs s VAL 42 CO 0.04 -0.58 1.16 0.21 -0.31 0.00 0.00 175.10 175.61 3ihs s ASN 43 N -3.24 7.07 0.45 4.85 3.84 -1.26 -1.06 114.94 125.59 3ihs s ASN 43 Ca 0.21 1.69 0.31 0.00 0.21 0.00 0.00 52.86 55.28 3ihs s ASN 43 Cb 0.03 -2.55 1.57 0.00 -0.55 0.00 0.00 41.25 39.74 3ihs s ASN 43 CO 0.04 -0.60 1.94 0.00 -2.79 0.00 0.00 177.10 175.69 3ihs h ALA 44 N 7.54 1.00 -0.08 1.71 0.00 -1.20 -1.34 119.26 126.89 3ihs h ALA 44 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 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 0.00 1.63 0.00 0.00 0.00 179.25 181.78 3ihs n LYS 45 N -2.63 1.53 -3.76 0.00 5.02 -1.26 -4.49 118.16 112.56 3ihs n LYS 45 Ca -0.01 -0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 55.12 3ihs n LYS 45 Cb 0.12 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.74 5.09 0.00 4.39 0.15 -0.51 -4.92 113.70 116.17 3ihs s SER 46 Ca 0.35 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3ihs s SER 46 Cb 0.18 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3ihs s SER 46 CO 0.29 -0.15 1.30 0.00 1.20 0.00 0.00 173.24 175.88 3ihs n ILE 47 N 4.88 1.30 0.00 6.45 3.06 -1.26 -1.70 119.36 132.09 3ihs n ILE 47 Ca -0.15 -0.27 0.00 0.00 -2.50 0.00 0.00 62.75 59.83 3ihs n ILE 47 Cb 0.49 -1.24 0.00 0.00 0.54 0.00 0.00 39.64 39.43 3ihs n ILE 47 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3ihs n GLY 49 N 1.35 0.00 0.84 4.50 0.00 -1.26 -4.56 105.19 106.06 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 -0.69 -2.98 119.36 117.16 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 -0.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.61 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 0.76 0.00 0.14 4.38 3.41 -1.26 -3.86 113.62 117.18 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 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 3ihs n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ihs h LEU 53 N 0.00 0.00 -2.57 1.04 3.38 -1.94 -3.48 115.31 111.75 3ihs h LEU 53 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 3ihs h LEU 53 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 3ihs h LEU 53 CO 0.00 0.00 -0.90 0.00 0.09 0.00 0.00 178.44 177.63 3ihs n ALA 54 N -1.88 -2.30 -2.57 1.53 0.00 -1.25 -4.85 120.51 109.17 3ihs n ALA 54 Ca 0.05 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3ihs n ALA 54 Cb 0.46 -3.07 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 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 -3.64 3.91 0.58 0.00 1.01 -1.26 -5.01 121.20 116.80 3ihs s ILE 55 Ca 0.26 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.59 3ihs s ILE 55 Cb -0.09 -4.80 0.05 0.00 0.01 0.00 0.00 42.46 37.63 3ihs s ILE 55 CO 0.86 -1.55 0.82 -0.83 0.00 0.00 0.00 174.94 174.23 3ihs s GLY 56 N 3.29 1.81 0.30 6.18 0.00 -1.26 -0.68 107.32 116.96 3ihs s GLY 56 Ca 0.39 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.44 3ihs s GLY 56 CO 0.21 -1.04 1.39 2.41 0.00 0.00 0.00 173.10 176.06 3ihs n THR 57 N -2.44 1.52 -0.33 0.90 -1.04 -1.26 -2.08 114.28 109.55 3ihs n THR 57 Ca 0.09 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3ihs n THR 57 Cb 0.60 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 3ihs n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ihs n GLY 58 N 1.39 1.60 0.00 3.41 0.00 0.94 -5.01 105.19 107.52 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 -0.88 -4.65 113.62 117.34 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 -0.08 0.00 -4.35 0.44 -5.35 -0.34 -0.66 119.36 109.02 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 3.37 -0.20 7.28 2.01 -0.27 -0.59 115.64 125.24 3ihs s THR 62 Ca 0.00 -0.53 -0.07 0.00 0.31 0.00 0.00 61.69 61.40 3ihs s THR 62 Cb 0.00 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3ihs s THR 62 CO 0.00 0.48 0.06 -0.63 -0.69 0.00 0.00 174.62 173.84 3ihs s ILE 63 N 0.78 4.62 -0.04 1.82 1.01 -0.11 -0.78 121.20 128.50 3ihs s ILE 63 Ca -0.03 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.58 3ihs s ILE 63 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3ihs s ILE 63 CO 0.02 0.42 -0.19 -0.89 0.00 0.00 0.00 174.94 174.30 3ihs s THR 64 N 0.77 1.56 0.06 2.92 2.01 -0.15 -1.30 115.64 121.51 3ihs s THR 64 Ca 0.03 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3ihs s THR 64 Cb -0.13 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.02 3ihs s THR 64 CO 0.02 0.44 -0.06 0.42 -0.69 0.00 0.00 174.62 174.76 3ihs s THR 65 N -0.09 0.48 -0.25 -0.82 -4.23 -0.23 -0.56 115.64 109.95 3ihs s THR 65 Ca -0.02 -1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 58.90 3ihs s THR 65 Cb -0.11 -1.08 0.09 0.00 1.34 0.00 0.00 72.50 72.74 3ihs s THR 65 CO 0.02 -0.67 0.58 -0.70 -0.54 0.00 0.00 174.62 173.30 3ihs s GLU 66 N -2.73 0.54 0.00 3.99 2.12 -0.62 -1.60 118.70 120.39 3ihs s GLU 66 Ca -0.00 1.17 0.00 0.00 0.36 0.00 0.00 54.97 56.49 3ihs s GLU 66 Cb -0.02 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.71 3ihs s GLU 66 CO -0.03 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 3ihs n GLY 67 N 4.79 -0.05 0.35 -1.50 0.00 -1.26 -1.60 105.19 105.91 3ihs n GLY 67 Ca -0.17 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 1.00 -0.57 1.61 4.64 -1.97 -2.36 113.55 115.90 3ihs h SER 68 Ca 0.00 -0.09 -0.37 0.00 -0.47 0.00 0.00 61.79 60.86 3ihs h SER 68 Cb 0.00 -0.25 -0.23 0.00 -0.31 0.00 0.00 62.40 61.61 3ihs h SER 68 CO 0.00 0.81 -0.12 -0.90 -0.87 0.00 0.00 176.83 175.75 3ihs n ASP 69 N -4.34 3.96 -0.06 4.97 5.68 -1.26 -4.84 116.55 120.66 3ihs n ASP 69 Ca 0.08 -3.78 -0.08 0.00 -0.50 0.00 0.00 54.79 50.51 3ihs n ASP 69 Cb 0.11 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 39.46 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 1.47 0.24 -0.48 2.12 0.00 -1.76 0.06 119.26 120.92 3ihs h ALA 70 Ca 0.33 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3ihs h ALA 70 Cb 1.51 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3ihs h ALA 70 CO 0.69 -0.39 -0.03 1.49 0.00 0.00 0.00 179.25 181.01 3ihs h GLU 71 N 0.12 0.86 -0.40 0.00 4.57 -1.88 -0.89 114.58 116.96 3ihs h GLU 71 Ca 0.12 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.02 3ihs h GLU 71 Cb 0.13 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3ihs h GLU 71 CO -0.17 0.92 0.23 1.49 -1.18 0.00 0.00 179.01 180.31 3ihs h GLU 72 N 0.72 0.46 -0.35 1.92 4.81 -1.86 -0.74 114.58 119.53 3ihs h GLU 72 Ca 0.13 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3ihs h GLU 72 Cb 0.56 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3ihs h GLU 72 CO 0.03 0.30 0.22 0.00 -0.73 0.00 0.00 179.01 178.83 3ihs h ALA 73 N 1.18 0.45 -0.06 2.92 0.00 -0.76 -0.43 119.26 122.56 3ihs h ALA 73 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ihs h ALA 73 Cb 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ihs h ALA 73 CO -0.08 -0.06 0.03 1.25 0.00 0.00 0.00 179.25 180.40 3ihs h LEU 74 N 0.46 0.08 -0.77 0.00 6.46 -0.95 -1.40 115.31 119.19 3ihs h LEU 74 Ca 0.13 -0.07 -0.12 0.00 -0.12 0.00 0.00 57.88 57.70 3ihs h LEU 74 Cb -0.01 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3ihs h LEU 74 CO -0.02 0.13 -0.33 -0.33 -0.62 0.00 0.00 178.44 177.27 3ihs h GLU 75 N 0.02 0.55 -0.37 1.25 5.08 -1.04 -0.39 114.58 119.69 3ihs h GLU 75 Ca 0.02 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3ihs h GLU 75 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3ihs h GLU 75 CO -0.00 0.81 0.09 0.00 -1.00 0.00 0.00 179.01 178.91 3ihs h ALA 76 N 1.17 0.49 -0.23 3.43 0.00 -0.90 -0.97 119.26 122.26 3ihs h ALA 76 Ca 0.05 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3ihs h ALA 76 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ihs h ALA 76 CO 0.07 0.16 -0.51 -0.07 0.00 0.00 0.00 179.25 178.89 3ihs h LEU 77 N 0.45 0.71 -0.48 0.00 3.38 -1.10 -0.82 115.31 117.45 3ihs h LEU 77 Ca 0.12 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3ihs h LEU 77 Cb 0.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ihs h LEU 77 CO 0.00 1.10 0.24 0.00 0.09 0.00 0.00 178.44 179.86 3ihs h ALA 78 N 0.92 0.62 0.00 1.53 0.00 -1.01 -2.49 119.26 118.84 3ihs h ALA 78 Ca 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ihs h ALA 78 Cb 1.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ihs h ALA 78 CO 0.10 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.46 3ihs h ALA 79 N 1.08 1.08 -0.24 0.00 0.00 -0.93 -0.83 119.26 119.42 3ihs h ALA 79 Ca 0.17 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ihs h ALA 79 Cb 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ihs h ALA 79 CO -0.02 0.10 -0.31 -0.92 0.00 0.00 0.00 179.25 178.09 3ihs h TYR 80 N 0.00 0.77 0.00 0.00 3.20 -0.71 -3.36 116.97 116.87 3ihs h TYR 80 Ca -0.00 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.57 3ihs h TYR 80 Cb 0.44 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3ihs h TYR 80 CO 0.00 0.99 -1.50 1.33 -1.64 0.00 0.00 178.16 177.34 3ihs n VAL 81 N -4.29 0.53 1.90 1.81 0.24 -0.99 -4.95 118.33 112.59 3ihs n VAL 81 Ca -0.05 -0.57 0.15 0.00 -2.04 0.00 0.00 64.34 61.83 3ihs n VAL 81 Cb 0.48 -0.29 0.90 0.00 -1.47 0.00 0.00 33.84 33.47 3ihs n VAL 81 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69