#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhh s TYR 3 N -2.74 -0.38 -0.04 0.00 5.04 -1.02 -5.00 117.35 113.21 1xhh s TYR 3 Ca 0.00 0.90 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 1xhh s TYR 3 Cb 0.00 -0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.20 1xhh s TYR 3 CO 0.00 -0.34 -0.06 -0.59 -1.34 0.00 0.00 175.55 173.23 1xhh s PHE 4 N 2.37 2.95 -0.04 4.97 -0.71 -1.26 -2.43 117.98 123.82 1xhh s PHE 4 Ca 0.01 0.02 0.03 0.00 -1.04 0.00 0.00 56.93 55.95 1xhh s PHE 4 Cb -0.12 -1.68 0.01 0.00 -1.21 0.00 0.00 43.02 40.02 1xhh s PHE 4 CO -0.08 0.37 -0.11 0.42 -1.34 0.00 0.00 175.22 174.48 1xhh s ILE 5 N -0.90 0.96 0.29 -4.49 1.01 -0.70 -4.98 121.20 112.38 1xhh s ILE 5 Ca 0.15 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1xhh s ILE 5 Cb -0.11 -0.86 -0.13 0.00 0.01 0.00 0.00 42.46 41.37 1xhh s ILE 5 CO 0.04 0.30 1.40 -2.65 0.00 0.00 0.00 174.94 174.03 1xhh n PRO 6 N 3.47 2.19 -0.99 2.79 -0.01 -1.26 -2.06 135.00 139.12 1xhh n PRO 6 Ca -0.20 0.77 -0.35 0.00 -0.01 0.00 0.00 63.50 63.72 1xhh n PRO 6 Cb 0.53 -2.43 0.09 0.00 -0.01 0.00 0.00 33.50 31.68 1xhh n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1xhh n ASN 7 N 1.64 -2.61 0.00 2.55 5.15 -1.25 -4.80 115.26 115.95 1xhh n ASN 7 Ca 0.08 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1xhh n ASN 7 Cb 0.34 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xhh n GLN 8 N -0.52 0.00 -1.69 1.20 3.00 -1.26 -5.04 117.38 113.08 1xhh n GLN 8 Ca 0.06 -0.16 -0.33 0.00 -0.01 0.00 0.00 57.00 56.56 1xhh n GLN 8 Cb 0.53 -0.51 0.06 0.00 0.00 0.00 0.00 30.24 30.31 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1xhh s SER 9 N -0.00 4.93 -0.13 1.08 1.04 -1.26 -4.97 113.70 114.39 1xhh s SER 9 Ca 0.00 2.06 -0.06 0.00 0.48 0.00 0.00 55.95 58.43 1xhh s SER 9 Cb 0.00 -2.56 -0.26 0.00 0.10 0.00 0.00 66.02 63.31 1xhh s SER 9 CO 0.00 -1.75 0.32 0.18 0.98 0.00 0.00 173.24 172.97 1xhh n LEU 10 N -2.49 2.66 -4.64 2.42 4.77 -1.26 -4.82 117.00 113.64 1xhh n LEU 10 Ca 0.11 0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 1xhh n LEU 10 Cb 0.52 -1.11 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 1xhh n LEU 10 CO 0.48 0.86 1.57 -0.54 -1.33 0.00 0.00 177.39 178.43 1xhh s LYS 11 N -2.55 3.81 0.00 3.23 -0.14 -1.26 -4.81 119.74 118.02 1xhh s LYS 11 Ca -0.23 2.17 -0.01 0.00 -1.36 0.00 0.00 55.97 56.55 1xhh s LYS 11 Cb 0.07 -4.16 -0.02 0.00 -1.68 0.00 0.00 37.83 32.04 1xhh s LYS 11 CO 0.76 -1.31 0.69 -0.35 -0.76 0.00 0.00 175.35 174.38 1xhh n PRO 12 N 7.81 0.24 -2.16 -1.68 -0.05 -1.26 -2.85 135.00 135.04 1xhh n PRO 12 Ca 0.22 -0.09 -0.02 0.00 -0.05 0.00 0.00 63.50 63.56 1xhh n PRO 12 Cb 0.43 -1.51 0.05 0.00 -0.05 0.00 0.00 33.50 32.41 1xhh n PRO 12 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1xhh n ASN 13 N 2.52 -0.81 -4.14 3.54 6.94 -1.26 -5.09 115.26 116.96 1xhh n ASN 13 Ca 0.04 -1.60 -0.12 0.00 -0.02 0.00 0.00 54.58 52.88 1xhh n ASN 13 Cb 0.11 0.48 -0.09 0.00 -2.36 0.00 0.00 39.78 37.92 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1xhh s GLU 14 N 0.06 1.29 -0.44 -3.83 2.02 -1.13 -3.13 118.70 113.53 1xhh s GLU 14 Ca 0.05 -1.56 0.05 0.00 0.02 0.00 0.00 54.97 53.53 1xhh s GLU 14 Cb 0.18 0.31 0.18 0.00 0.10 0.00 0.00 34.13 34.90 1xhh s GLU 14 CO -0.05 -0.45 0.45 0.00 0.02 0.00 0.00 175.26 175.23 1xhh s GLN 16 N 0.33 2.54 0.03 0.00 1.03 -1.26 -2.76 119.66 119.57 1xhh s GLN 16 Ca 0.32 -1.54 -0.27 0.00 0.04 0.00 0.00 55.36 53.90 1xhh s GLN 16 Cb 0.02 -2.42 0.09 0.00 0.03 0.00 0.00 33.01 30.73 1xhh s GLN 16 CO -0.15 -0.27 0.79 0.34 -2.54 0.00 0.00 175.29 173.46 1xhh s ASP 17 N -4.20 -0.45 0.35 12.60 2.15 -1.20 -4.57 116.67 121.35 1xhh s ASP 17 Ca 0.49 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1xhh s ASP 17 Cb -0.04 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 43.03 1xhh s ASP 17 CO 0.29 -0.70 0.00 0.18 -0.17 0.00 0.00 175.17 174.77 1xhh n LEU 18 N -0.09 0.00 -0.69 -1.34 4.32 -1.26 -2.36 117.00 115.57 1xhh n LEU 18 Ca -0.12 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 55.91 1xhh n LEU 18 Cb 0.62 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.62 1xhh n LEU 18 CO 0.13 -0.04 0.59 1.17 -1.22 0.00 0.00 177.39 178.02 1xhh n LYS 19 N 0.00 1.89 -0.08 3.23 3.00 -1.26 -4.57 118.16 120.37 1xhh n LYS 19 Ca 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 58.31 55.34 1xhh n LYS 19 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.33 1xhh n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xhh n GLY 20 N -1.07 -1.11 3.47 3.14 0.00 -1.23 -4.62 105.19 103.78 1xhh n GLY 20 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1xhh n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhh s VAL 21 N 0.00 2.91 -0.30 1.61 1.01 -1.00 -5.01 120.40 119.63 1xhh s VAL 21 Ca 0.00 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1xhh s VAL 21 Cb 0.00 -2.21 0.18 0.00 0.00 0.00 0.00 36.38 34.34 1xhh s VAL 21 CO 0.00 0.39 1.03 -0.55 0.00 0.00 0.00 175.10 175.97 1xhh s SER 22 N -1.31 -0.50 0.06 3.32 0.15 -1.26 -3.23 113.70 110.92 1xhh s SER 22 Ca 0.14 0.34 -0.14 0.00 0.70 0.00 0.00 55.95 56.99 1xhh s SER 22 Cb -0.11 1.43 0.02 0.00 -1.71 0.00 0.00 66.02 65.66 1xhh s SER 22 CO 0.05 -0.09 0.31 -1.00 1.20 0.00 0.00 173.24 173.70 1xhh s HIS 23 N 2.92 -0.10 1.16 3.44 3.76 -1.11 -4.97 115.29 120.39 1xhh s HIS 23 Ca -0.00 -0.09 -0.15 0.00 -0.15 0.00 0.00 55.06 54.67 1xhh s HIS 23 Cb -0.10 0.10 0.22 0.00 1.11 0.00 0.00 32.58 33.91 1xhh s HIS 23 CO -0.12 -0.53 0.58 -0.35 -0.85 0.00 0.00 174.74 173.47 1xhh n PRO 24 N 0.41 -2.18 -1.18 8.40 -0.04 -1.26 -0.27 135.00 138.88 1xhh n PRO 24 Ca -0.18 -0.61 -0.30 0.00 -0.04 0.00 0.00 63.50 62.37 1xhh n PRO 24 Cb 0.60 -1.96 0.15 0.00 -0.04 0.00 0.00 33.50 32.25 1xhh n PRO 24 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xhh s LEU 25 N -4.71 2.16 -1.42 1.53 2.96 -1.18 -2.97 118.68 115.05 1xhh s LEU 25 Ca 0.63 1.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 1xhh s LEU 25 Cb -0.20 -3.84 0.00 0.00 0.50 0.00 0.00 46.19 42.65 1xhh s LEU 25 CO 0.66 -2.74 0.00 0.59 -1.32 0.00 0.00 176.35 173.54 1xhh n ASN 26 N -3.94 -3.83 -4.64 3.68 4.13 -1.26 -4.89 115.26 104.50 1xhh n ASN 26 Ca 0.07 0.30 -0.42 0.00 1.68 0.00 0.00 54.58 56.21 1xhh n ASN 26 Cb 0.55 -3.47 -0.04 0.00 -1.54 0.00 0.00 39.78 35.28 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1xhh s SER 27 N -2.15 6.83 -0.09 6.41 1.04 -1.16 -4.91 113.70 119.68 1xhh s SER 27 Ca 0.00 1.03 0.02 0.00 0.48 0.00 0.00 55.95 57.48 1xhh s SER 27 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1xhh s SER 27 CO 0.00 -0.51 -0.14 0.68 0.98 0.00 0.00 173.24 174.25 1xhh s VAL 28 N 2.81 1.33 -0.14 5.02 -7.23 -1.26 -1.98 120.40 118.94 1xhh s VAL 28 Ca 0.35 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.87 1xhh s VAL 28 Cb -0.15 -1.22 0.05 0.00 0.56 0.00 0.00 36.38 35.62 1xhh s VAL 28 CO 0.07 0.40 0.35 -1.66 -0.31 0.00 0.00 175.10 173.96 1xhh s TRP 29 N 0.85 -0.49 0.05 2.82 -2.14 -1.03 -5.04 118.94 113.96 1xhh s TRP 29 Ca -0.10 1.08 0.02 0.00 2.66 0.00 0.00 56.10 59.76 1xhh s TRP 29 Cb -0.15 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.37 1xhh s TRP 29 CO 0.01 -0.29 -0.07 0.15 -2.66 0.00 0.00 176.95 174.09 1xhh s LYS 30 N 1.18 0.57 0.00 3.25 3.01 -1.26 -2.60 119.74 123.88 1xhh s LYS 30 Ca -0.08 -0.85 0.00 0.00 -1.01 0.00 0.00 55.97 54.03 1xhh s LYS 30 Cb -0.08 -0.25 0.00 0.00 -1.01 0.00 0.00 37.83 36.49 1xhh s LYS 30 CO -0.10 0.03 0.00 0.25 0.51 0.00 0.00 175.35 176.05 1xhh n THR 31 N 1.20 0.00 0.03 2.17 -2.24 -0.88 -5.03 114.28 109.54 1xhh n THR 31 Ca -0.21 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 1xhh n THR 31 Cb 0.56 -1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 67.41 1xhh n THR 31 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1xhh h LYS 32 N 0.00 0.17 0.00 -0.78 1.57 -1.99 -3.44 116.57 112.10 1xhh h LYS 32 Ca 0.00 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.34 1xhh h LYS 32 Cb 0.00 0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.29 1xhh h LYS 32 CO 0.00 0.97 -0.16 -0.40 -0.57 0.00 0.00 179.45 179.28 1xhh n ASP 33 N -3.35 -1.77 0.02 0.86 5.68 -1.26 -5.02 116.55 111.71 1xhh n ASP 33 Ca -0.18 -2.45 0.00 0.00 -0.50 0.00 0.00 54.79 51.66 1xhh n ASP 33 Cb 1.04 1.28 0.00 0.00 -1.14 0.00 0.00 41.12 42.30 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhh s GLU 35 N -2.00 1.23 -0.29 0.00 2.12 -1.26 -1.58 118.70 116.92 1xhh s GLU 35 Ca 0.00 -0.33 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1xhh s GLU 35 Cb 0.00 0.57 0.11 0.00 0.26 0.00 0.00 34.13 35.07 1xhh s GLU 35 CO 0.00 -0.52 0.15 -1.21 -0.54 0.00 0.00 175.26 173.15 1xhh s GLU 36 N -3.27 0.21 -0.17 4.30 2.02 -0.75 -2.07 118.70 118.97 1xhh s GLU 36 Ca -0.01 -0.50 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 1xhh s GLU 36 Cb -0.01 -1.10 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 1xhh s GLU 36 CO -0.09 -1.03 0.01 0.00 0.02 0.00 0.00 175.26 174.17 1xhh s THR 38 N 0.47 2.17 -0.42 0.00 -4.23 0.76 -2.48 115.64 111.91 1xhh s THR 38 Ca -0.01 -2.32 -0.06 0.00 -1.18 0.00 0.00 61.69 58.12 1xhh s THR 38 Cb -0.14 -2.19 0.10 0.00 1.34 0.00 0.00 72.50 71.61 1xhh s THR 38 CO 0.02 -0.48 0.25 0.00 -0.54 0.00 0.00 174.62 173.87 1xhh s GLY 40 N 2.11 3.10 0.05 0.00 0.00 0.52 -4.42 107.32 108.68 1xhh s GLY 40 Ca 0.05 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1xhh s GLY 40 CO -0.02 1.24 1.08 -0.18 0.00 0.00 0.00 173.10 175.23 1xhh n GLN 41 N 1.76 0.02 0.00 2.90 0.00 -1.26 -1.83 117.38 118.97 1xhh n GLN 41 Ca -0.01 0.50 0.00 0.00 -0.00 0.00 0.00 57.00 57.49 1xhh n GLN 41 Cb 0.47 -1.60 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1xhh n ASP 42 N -1.60 2.80 -3.03 1.69 8.00 -1.26 -5.08 116.55 118.06 1xhh n ASP 42 Ca -0.00 -0.08 -0.08 0.00 0.71 0.00 0.00 54.79 55.33 1xhh n ASP 42 Cb 0.03 0.72 0.02 0.00 -0.02 0.00 0.00 41.12 41.88 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhh s ALA 43 N -1.28 -0.82 -0.08 2.24 0.00 -0.76 -3.82 121.76 117.23 1xhh s ALA 43 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.32 1xhh s ALA 43 Cb 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1xhh s ALA 43 CO 0.00 -1.00 -0.24 0.42 0.00 0.00 0.00 175.76 174.94 1xhh s ILE 44 N -2.45 2.08 -0.19 0.00 1.01 -0.88 0.20 121.20 120.97 1xhh s ILE 44 Ca 0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 1xhh s ILE 44 Cb -0.05 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1xhh s ILE 44 CO 0.11 0.56 -0.03 -0.94 0.00 0.00 0.00 174.94 174.65 1xhh s SER 45 N 0.11 4.66 -0.07 3.58 1.04 -0.95 -1.73 113.70 120.34 1xhh s SER 45 Ca -0.12 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1xhh s SER 45 Cb -0.16 -1.78 0.03 0.00 0.10 0.00 0.00 66.02 64.20 1xhh s SER 45 CO 0.07 0.08 -0.02 0.00 0.98 0.00 0.00 173.24 174.35 1xhh s ASN 48 N -0.33 4.86 0.00 0.00 4.22 -1.26 -1.82 114.94 120.61 1xhh s ASN 48 Ca 0.03 -0.22 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 1xhh s ASN 48 Cb -0.13 -1.11 0.00 0.00 1.28 0.00 0.00 41.25 41.29 1xhh s ASN 48 CO 0.02 0.19 0.00 0.35 -2.04 0.00 0.00 177.10 175.62 1xhh n THR 49 N 0.69 0.00 -1.47 0.54 -2.24 -0.61 -4.95 114.28 106.23 1xhh n THR 49 Ca -0.12 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 1xhh n THR 49 Cb 0.52 -0.16 0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s ALA 50 N -1.19 2.35 0.80 6.98 0.00 -1.23 -4.97 121.76 124.50 1xhh s ALA 50 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 1xhh s ALA 50 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1xhh s ALA 50 CO 0.00 -1.60 0.41 0.00 0.00 0.00 0.00 175.76 174.57 1xhh n ALA 51 N -3.38 -2.07 -2.88 0.00 0.00 -1.26 -4.97 120.51 105.95 1xhh n ALA 51 Ca 0.08 -0.37 -0.34 0.00 0.00 0.00 0.00 53.44 52.81 1xhh n ALA 51 Cb 0.54 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 18.08 1xhh n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhh s ILE 52 N -2.06 3.75 0.24 0.00 1.09 -0.54 -4.85 121.20 118.83 1xhh s ILE 52 Ca 0.61 -0.42 -0.31 0.00 -1.10 0.00 0.00 60.65 59.43 1xhh s ILE 52 Cb -0.30 -2.61 -0.12 0.00 -1.06 0.00 0.00 42.46 38.37 1xhh s ILE 52 CO 0.62 0.52 1.63 -0.81 -0.10 0.00 0.00 174.94 176.81 1xhh n PRO 53 N 3.19 2.62 -4.22 2.79 -0.04 -1.26 -2.59 135.00 135.49 1xhh n PRO 53 Ca -0.18 0.94 -0.16 0.00 -0.04 0.00 0.00 63.50 64.06 1xhh n PRO 53 Cb 0.53 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.17 1xhh n PRO 53 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xhh s THR 54 N 0.55 0.00 0.00 0.52 -4.23 -1.22 -4.83 115.64 106.43 1xhh s THR 54 Ca 0.70 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1xhh s THR 54 Cb -0.53 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1xhh s THR 54 CO 0.41 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 1xhh n GLY 55 N -0.50 1.87 3.89 3.99 0.00 -1.26 -3.55 105.19 109.63 1xhh n GLY 55 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1xhh n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xhh s TYR 56 N -2.79 3.56 0.02 1.61 1.13 -1.26 -4.71 117.35 114.90 1xhh s TYR 56 Ca 0.00 1.00 -0.30 0.00 -1.41 0.00 0.00 57.07 56.36 1xhh s TYR 56 Cb 0.00 -2.54 -0.08 0.00 -1.10 0.00 0.00 41.96 38.24 1xhh s TYR 56 CO 0.00 -0.52 1.86 -0.51 -2.51 0.00 0.00 175.55 173.86 1xhh s ASP 57 N -4.16 6.52 -1.18 -0.18 1.01 -1.26 -4.90 116.67 112.51 1xhh s ASP 57 Ca 0.51 2.55 -0.12 0.00 0.71 0.00 0.00 52.55 56.20 1xhh s ASP 57 Cb -0.11 -2.53 0.21 0.00 1.01 0.00 0.00 42.92 41.50 1xhh s ASP 57 CO 0.49 -1.01 1.35 0.35 0.21 0.00 0.00 175.17 176.56 1xhh n THR 58 N 5.45 4.38 -0.09 -1.27 -2.24 -1.26 -4.76 114.28 114.50 1xhh n THR 58 Ca 0.19 -4.95 -0.11 0.00 -2.27 0.00 0.00 64.05 56.90 1xhh n THR 58 Cb 0.41 -2.50 -0.05 0.00 -2.10 0.00 0.00 70.33 66.10 1xhh n THR 58 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xhh n ASN 59 N 4.58 1.85 -0.48 3.42 2.85 -1.26 -4.93 115.26 121.29 1xhh n ASN 59 Ca 0.33 0.51 -0.01 0.00 -0.11 0.00 0.00 54.58 55.30 1xhh n ASN 59 Cb 0.41 -0.86 -0.01 0.00 1.24 0.00 0.00 39.78 40.56 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1xhh n LYS 60 N -4.52 0.00 -2.35 1.20 4.81 -1.26 -5.15 118.16 110.89 1xhh n LYS 60 Ca -0.18 -0.16 -0.25 0.00 -0.87 0.00 0.00 58.31 56.84 1xhh n LYS 60 Cb 0.45 0.37 0.12 0.00 0.02 0.00 0.00 35.03 35.99 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xhh s GLN 62 N -5.33 1.67 0.01 0.00 -0.21 -0.25 -4.90 119.66 110.65 1xhh s GLN 62 Ca 0.66 -1.94 0.06 0.00 0.02 0.00 0.00 55.36 54.16 1xhh s GLN 62 Cb -0.06 -0.68 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 1xhh s GLN 62 CO 0.46 -0.28 -0.17 0.15 -2.12 0.00 0.00 175.29 173.34 1xhh s LYS 63 N -3.88 2.20 -0.06 2.91 3.01 -1.26 -2.17 119.74 120.48 1xhh s LYS 63 Ca 0.34 -0.90 -0.04 0.00 -1.01 0.00 0.00 55.97 54.36 1xhh s LYS 63 Cb 0.07 -2.24 0.03 0.00 -1.01 0.00 0.00 37.83 34.68 1xhh s LYS 63 CO 0.15 0.56 0.15 0.42 0.51 0.00 0.00 175.35 177.14 1xhh s ILE 64 N -0.87 -0.03 -0.30 2.17 1.01 -0.11 -4.93 121.20 118.14 1xhh s ILE 64 Ca 0.14 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.74 1xhh s ILE 64 Cb -0.11 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 1xhh s ILE 64 CO 0.04 0.04 0.36 -0.22 0.00 0.00 0.00 174.94 175.16 1xhh s LEU 65 N 0.72 4.20 -0.49 2.97 0.20 -1.26 0.74 118.68 125.76 1xhh s LEU 65 Ca -0.05 0.05 -0.29 0.00 0.69 0.00 0.00 54.13 54.52 1xhh s LEU 65 Cb -0.07 -2.37 0.03 0.00 -0.43 0.00 0.00 46.19 43.34 1xhh s LEU 65 CO -0.04 -0.25 1.15 0.21 -0.29 0.00 0.00 176.35 177.14 1xhh s ASN 66 N 1.69 6.60 0.00 3.68 2.47 -0.01 -4.85 114.94 124.52 1xhh s ASN 66 Ca 0.13 0.42 0.19 0.00 0.42 0.00 0.00 52.86 54.02 1xhh s ASN 66 Cb -0.16 -2.55 0.96 0.00 -1.45 0.00 0.00 41.25 38.05 1xhh s ASN 66 CO 0.11 -1.30 1.58 2.29 -3.72 0.00 0.00 177.10 176.06 1xhh n LYS 67 N 7.95 0.28 0.05 0.43 0.00 -1.26 -1.77 118.16 123.84 1xhh n LYS 67 Ca 0.12 0.10 -0.11 0.00 -0.00 0.00 0.00 58.31 58.42 1xhh n LYS 67 Cb 0.49 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.97 1xhh n LYS 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xhh h LYS 68 N 0.00 -0.16 0.00 -1.58 1.79 -1.95 -3.28 116.57 111.38 1xhh h LYS 68 Ca 0.00 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.42 1xhh h LYS 68 Cb 0.17 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 30.72 1xhh h LYS 68 CO 0.00 -0.11 -0.61 0.25 -1.08 0.00 0.00 179.45 177.91 1xhh n THR 69 N -5.23 0.99 -3.30 -0.16 -2.24 -1.21 -5.02 114.28 98.11 1xhh n THR 69 Ca -0.06 -1.72 -0.14 0.00 -2.27 0.00 0.00 64.05 59.87 1xhh n THR 69 Cb 0.15 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.71 1xhh n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s THR 71 N -2.75 0.00 -0.03 0.00 -4.23 -0.83 -4.98 115.64 102.82 1xhh s THR 71 Ca 0.09 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1xhh s THR 71 Cb -0.02 -2.49 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1xhh s THR 71 CO 0.81 0.00 -0.05 -0.47 -0.54 0.00 0.00 174.62 174.38 1xhh s TYR 72 N -4.05 2.97 0.26 3.99 6.14 -1.26 -0.83 117.35 124.57 1xhh s TYR 72 Ca 0.39 0.03 0.01 0.00 0.64 0.00 0.00 57.07 58.14 1xhh s TYR 72 Cb 0.06 -1.68 -0.05 0.00 0.42 0.00 0.00 41.96 40.72 1xhh s TYR 72 CO 0.14 0.39 0.11 0.95 0.64 0.00 0.00 175.55 177.78 1xhh s THR 73 N -0.94 0.51 -0.08 4.34 -4.23 0.23 -4.87 115.64 110.59 1xhh s THR 73 Ca 0.16 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 1xhh s THR 73 Cb -0.11 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.16 1xhh s THR 73 CO 0.05 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.60 1xhh s VAL 74 N -3.75 -0.19 0.41 2.29 1.01 -1.26 -0.93 120.40 117.98 1xhh s VAL 74 Ca 0.38 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.73 1xhh s VAL 74 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 1xhh s VAL 74 CO 0.14 0.13 0.29 0.68 0.00 0.00 0.00 175.10 176.34 1xhh s VAL 75 N 1.93 2.52 -0.05 2.92 -7.23 -0.92 -0.43 120.40 119.14 1xhh s VAL 75 Ca -0.01 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1xhh s VAL 75 Cb -0.12 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 1xhh s VAL 75 CO -0.06 -0.00 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.07 1xhh s GLU 76 N -4.04 2.75 0.63 4.82 2.02 -1.21 -1.09 118.70 122.59 1xhh s GLU 76 Ca 0.45 -0.56 0.35 0.00 0.02 0.00 0.00 54.97 55.24 1xhh s GLU 76 Cb -0.00 -2.61 2.03 0.00 0.10 0.00 0.00 34.13 33.65 1xhh s GLU 76 CO 0.26 0.66 2.26 0.87 0.02 0.00 0.00 175.26 179.33 1xhh h LYS 77 N 5.04 0.00 -0.03 1.61 1.79 -1.91 -1.48 116.57 121.59 1xhh h LYS 77 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1xhh h LYS 77 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1xhh h LYS 77 CO 0.53 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.53 1xhh n LYS 78 N -3.49 1.88 -2.86 3.15 4.01 -1.26 -4.81 118.16 114.77 1xhh n LYS 78 Ca -0.02 -2.32 -0.12 0.00 -0.51 0.00 0.00 58.31 55.34 1xhh n LYS 78 Cb 0.13 -1.40 0.02 0.00 -0.51 0.00 0.00 35.03 33.27 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1xhh n ASP 79 N -1.08 -2.21 0.31 4.39 -0.08 -0.56 -4.98 116.55 112.34 1xhh n ASP 79 Ca 0.12 -3.13 0.20 0.00 -1.51 0.00 0.00 54.79 50.48 1xhh n ASP 79 Cb 0.56 1.24 0.97 0.00 2.34 0.00 0.00 41.12 46.23 1xhh n ASP 79 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xhh h PRO 80 N 4.10 0.00 -0.64 -0.67 0.14 -1.82 -2.01 132.00 131.11 1xhh h PRO 80 Ca -0.08 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.06 1xhh h PRO 80 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.14 1xhh h PRO 80 CO 0.34 0.00 0.00 0.41 0.14 0.00 0.00 178.00 178.89 1xhh n GLY 81 N -0.57 2.42 2.90 1.56 0.00 -1.26 -4.88 105.19 105.35 1xhh n GLY 81 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1xhh n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhh s LYS 82 N -1.93 0.05 0.42 1.61 1.02 -0.76 -5.14 119.74 115.00 1xhh s LYS 82 Ca 0.45 -0.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.19 1xhh s LYS 82 Cb 0.30 0.02 -0.11 0.00 -0.52 0.00 0.00 37.83 37.52 1xhh s LYS 82 CO 0.20 -0.01 0.92 0.95 -0.92 0.00 0.00 175.35 176.49 1xhh s THR 83 N -0.15 4.44 0.00 2.17 -4.23 -1.26 -3.87 115.64 112.74 1xhh s THR 83 Ca -0.02 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.89 1xhh s THR 83 Cb -0.01 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1xhh s THR 83 CO -0.00 -0.31 0.00 0.00 -0.54 0.00 0.00 174.62 173.77 1xhh s ASP 85 N -1.00 6.82 0.28 0.00 2.15 -1.26 -4.96 116.67 118.70 1xhh s ASP 85 Ca 0.00 1.09 0.03 0.00 0.43 0.00 0.00 52.55 54.10 1xhh s ASP 85 Cb 0.00 -2.29 -0.06 0.00 -0.30 0.00 0.00 42.92 40.27 1xhh s ASP 85 CO 0.00 0.08 0.05 -0.69 -0.17 0.00 0.00 175.17 174.44 1xhh s VAL 86 N -1.51 0.97 0.00 1.11 1.01 -1.26 -4.58 120.40 116.15 1xhh s VAL 86 Ca 0.39 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.36 1xhh s VAL 86 Cb -0.15 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1xhh s VAL 86 CO 0.19 -0.11 0.00 0.41 0.00 0.00 0.00 175.10 175.59 1xhh n THR 87 N -0.54 0.00 -3.02 3.92 -1.04 -1.26 -4.79 114.28 107.55 1xhh n THR 87 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1xhh n THR 87 Cb 0.66 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 1xhh n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xhh n GLY 88 N 0.84 -0.56 2.88 3.41 0.00 -1.23 -5.01 105.19 105.52 1xhh n GLY 88 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 1xhh n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xhh s TRP 89 N -3.02 -0.17 0.03 1.61 0.51 -1.26 -3.43 118.94 113.21 1xhh s TRP 89 Ca 0.00 0.55 0.07 0.00 -2.12 0.00 0.00 56.10 54.61 1xhh s TRP 89 Cb 0.00 -0.17 -0.03 0.00 -0.81 0.00 0.00 33.47 32.46 1xhh s TRP 89 CO 0.00 -0.22 -0.20 0.08 -0.51 0.00 0.00 176.95 176.10 1xhh s VAL 90 N 1.74 2.62 -2.00 4.03 1.01 -1.07 -4.91 120.40 121.83 1xhh s VAL 90 Ca -0.03 -1.19 0.25 0.00 0.00 0.00 0.00 61.98 61.01 1xhh s VAL 90 Cb -0.12 -2.07 0.71 0.00 0.00 0.00 0.00 36.38 34.91 1xhh s VAL 90 CO -0.06 0.38 1.86 0.18 0.00 0.00 0.00 175.10 177.46