#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 -3.74 0.37 0.04 0.00 5.04 -1.07 -5.02 117.35 112.97 1xhh s TYR 3 Ca 0.12 -0.85 0.04 0.00 -2.44 0.00 0.00 57.07 53.93 1xhh s TYR 3 Cb -0.06 -0.27 -0.04 0.00 0.35 0.00 0.00 41.96 41.95 1xhh s TYR 3 CO 0.08 -0.41 -0.03 -0.06 -1.34 0.00 0.00 175.55 173.78 1xhh s PHE 4 N -3.61 2.95 -0.33 4.97 0.40 -1.26 -2.60 117.98 118.51 1xhh s PHE 4 Ca 0.04 -0.01 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1xhh s PHE 4 Cb 0.05 -1.59 0.11 0.00 0.51 0.00 0.00 43.02 42.10 1xhh s PHE 4 CO -0.09 0.43 0.13 0.42 0.70 0.00 0.00 175.22 176.81 1xhh s ILE 5 N -1.13 0.82 0.06 0.64 1.01 0.14 -4.98 121.20 117.75 1xhh s ILE 5 Ca 0.21 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.03 1xhh s ILE 5 Cb -0.11 -1.61 -0.09 0.00 0.01 0.00 0.00 42.46 40.66 1xhh s ILE 5 CO 0.12 -0.73 1.75 -2.84 0.00 0.00 0.00 174.94 173.24 1xhh s PRO 6 N 1.45 4.17 0.55 2.79 0.02 -1.26 -0.43 135.00 142.29 1xhh s PRO 6 Ca 0.11 2.43 -0.18 0.00 0.02 0.00 0.00 61.00 63.38 1xhh s PRO 6 Cb -0.18 -3.74 -0.10 0.00 0.02 0.00 0.00 34.50 30.50 1xhh s PRO 6 CO -0.21 -0.81 0.47 -1.71 -0.33 0.00 0.00 177.00 174.41 1xhh n ASN 7 N 6.15 -1.23 0.00 2.53 2.85 -1.26 -4.85 115.26 119.45 1xhh n ASN 7 Ca 0.17 0.75 0.00 0.00 -0.11 0.00 0.00 54.58 55.39 1xhh n ASN 7 Cb 0.40 -1.14 0.00 0.00 1.24 0.00 0.00 39.78 40.28 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xhh n GLN 8 N 0.14 0.00 -1.29 1.20 0.00 -1.26 -5.01 117.38 111.16 1xhh n GLN 8 Ca 0.11 -0.42 -0.31 0.00 0.00 0.00 0.00 57.00 56.39 1xhh n GLN 8 Cb 0.47 -0.45 0.10 0.00 0.00 0.00 0.00 30.24 30.36 1xhh n GLN 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1xhh s SER 9 N 0.00 4.25 0.00 2.61 0.15 -1.26 -4.92 113.70 114.53 1xhh s SER 9 Ca 0.00 1.67 0.27 0.00 0.70 0.00 0.00 55.95 58.59 1xhh s SER 9 Cb 0.00 -2.38 1.21 0.00 -1.71 0.00 0.00 66.02 63.14 1xhh s SER 9 CO 0.00 -2.17 1.82 0.18 1.20 0.00 0.00 173.24 174.27 1xhh n LEU 10 N -3.60 1.07 -4.21 3.45 4.77 -1.26 -4.66 117.00 112.57 1xhh n LEU 10 Ca 0.08 -0.38 -0.38 0.00 -0.03 0.00 0.00 56.01 55.30 1xhh n LEU 10 Cb 0.54 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1xhh n LEU 10 CO 0.54 0.19 -0.17 -0.54 -1.33 0.00 0.00 177.39 176.09 1xhh s LYS 11 N -1.96 2.39 0.00 3.23 -0.14 -1.26 -4.97 119.74 117.03 1xhh s LYS 11 Ca 0.39 -1.54 -0.00 0.00 -1.36 0.00 0.00 55.97 53.45 1xhh s LYS 11 Cb 0.20 -3.62 -0.02 0.00 -1.68 0.00 0.00 37.83 32.71 1xhh s LYS 11 CO 0.32 -0.94 0.58 -2.30 -0.76 0.00 0.00 175.35 172.26 1xhh n PRO 12 N 4.77 0.22 -2.30 -1.68 -0.02 -1.26 -2.71 135.00 132.01 1xhh n PRO 12 Ca -0.08 -0.06 -0.02 0.00 -2.02 0.00 0.00 63.50 61.31 1xhh n PRO 12 Cb 0.42 -1.48 0.06 0.00 -0.02 0.00 0.00 33.50 32.48 1xhh n PRO 12 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xhh n ASN 13 N 2.33 -1.00 -3.43 2.55 5.15 -1.26 -5.09 115.26 114.52 1xhh n ASN 13 Ca 0.03 -1.75 -0.14 0.00 -0.60 0.00 0.00 54.58 52.11 1xhh n ASN 13 Cb 0.10 0.58 -0.05 0.00 -0.53 0.00 0.00 39.78 39.89 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1xhh s GLU 14 N 0.08 1.79 -0.50 1.20 2.02 -1.10 -2.22 118.70 119.97 1xhh s GLU 14 Ca 0.07 -1.71 0.04 0.00 0.02 0.00 0.00 54.97 53.38 1xhh s GLU 14 Cb 0.22 0.42 0.17 0.00 0.10 0.00 0.00 34.13 35.04 1xhh s GLU 14 CO -0.06 -0.73 0.38 0.00 0.02 0.00 0.00 175.26 174.87 1xhh s GLN 16 N -0.37 3.66 0.10 0.00 0.74 -1.26 -2.41 119.66 120.12 1xhh s GLN 16 Ca 0.29 -0.10 -0.15 0.00 0.05 0.00 0.00 55.36 55.44 1xhh s GLN 16 Cb -0.02 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.87 1xhh s GLN 16 CO -0.17 0.65 0.37 0.34 -0.55 0.00 0.00 175.29 175.93 1xhh s ASP 17 N -0.68 -0.18 0.20 6.67 -1.08 -1.15 -4.71 116.67 115.74 1xhh s ASP 17 Ca 0.14 -0.30 0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1xhh s ASP 17 Cb -0.12 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 1xhh s ASP 17 CO 0.03 -0.78 0.00 0.18 0.52 0.00 0.00 175.17 175.12 1xhh n LEU 18 N -0.01 0.00 -0.26 -1.34 4.32 -1.26 -2.29 117.00 116.16 1xhh n LEU 18 Ca -0.17 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.85 1xhh n LEU 18 Cb 0.63 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.47 1xhh n LEU 18 CO 0.19 0.00 0.42 1.17 -1.22 0.00 0.00 177.39 177.94 1xhh n LYS 19 N 2.26 0.84 0.00 3.23 3.00 -1.26 -4.64 118.16 121.59 1xhh n LYS 19 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 58.31 57.16 1xhh n LYS 19 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 33.91 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 0.22 0.00 3.76 3.14 0.00 -1.24 -4.65 105.19 106.42 1xhh n GLY 20 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.84 3.56 -0.30 1.61 1.01 -0.97 -4.98 120.40 118.48 1xhh s VAL 21 Ca 0.00 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.37 1xhh s VAL 21 Cb 0.00 -3.98 0.18 0.00 0.00 0.00 0.00 36.38 32.58 1xhh s VAL 21 CO 0.00 0.35 1.12 -0.55 0.00 0.00 0.00 175.10 176.02 1xhh s SER 22 N -0.79 -0.25 -0.04 3.32 0.15 -1.24 -2.91 113.70 111.94 1xhh s SER 22 Ca 0.45 0.06 -0.15 0.00 0.70 0.00 0.00 55.95 57.01 1xhh s SER 22 Cb -0.31 1.17 0.03 0.00 -1.71 0.00 0.00 66.02 65.20 1xhh s SER 22 CO 0.40 -0.05 0.34 -1.00 1.20 0.00 0.00 173.24 174.13 1xhh s HIS 23 N 2.97 -0.25 1.00 3.44 3.76 -1.01 -4.98 115.29 120.23 1xhh s HIS 23 Ca 0.19 0.45 -0.13 0.00 -0.15 0.00 0.00 55.06 55.43 1xhh s HIS 23 Cb -0.03 0.12 0.13 0.00 1.11 0.00 0.00 32.58 33.91 1xhh s HIS 23 CO -0.18 -0.36 0.73 -0.35 -0.85 0.00 0.00 174.74 173.73 1xhh n PRO 24 N 1.59 -0.92 0.00 8.40 -0.04 -1.26 0.63 135.00 143.41 1xhh n PRO 24 Ca -0.20 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1xhh n PRO 24 Cb 0.56 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xhh n LEU 25 N -3.07 0.00 -4.06 1.53 7.94 -0.94 -4.28 117.00 114.12 1xhh n LEU 25 Ca 0.07 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 54.52 1xhh n LEU 25 Cb 0.54 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.51 1xhh n LEU 25 CO 0.51 -0.54 -0.17 -0.46 -1.11 0.00 0.00 177.39 175.62 1xhh n ASN 26 N -0.12 -4.21 -3.37 1.96 6.94 -1.26 -4.92 115.26 110.27 1xhh n ASN 26 Ca 0.00 -1.28 -0.18 0.00 -0.02 0.00 0.00 54.58 53.10 1xhh n ASN 26 Cb 0.00 -1.68 -0.08 0.00 -2.36 0.00 0.00 39.78 35.66 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xhh s SER 27 N -3.48 1.33 -0.18 0.53 0.15 -1.26 -5.12 113.70 105.66 1xhh s SER 27 Ca 0.46 -1.62 -0.04 0.00 0.70 0.00 0.00 55.95 55.45 1xhh s SER 27 Cb -0.25 0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 1xhh s SER 27 CO 0.97 -0.27 -0.02 0.68 1.20 0.00 0.00 173.24 175.80 1xhh s VAL 28 N 1.41 3.83 -0.06 4.45 -7.23 -1.26 -3.68 120.40 117.86 1xhh s VAL 28 Ca 0.17 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.94 1xhh s VAL 28 Cb -0.16 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.10 1xhh s VAL 28 CO -0.04 0.45 0.14 -1.66 -0.31 0.00 0.00 175.10 173.69 1xhh s TRP 29 N 0.82 -0.16 -0.06 2.82 -2.14 -1.08 -5.03 118.94 114.11 1xhh s TRP 29 Ca -0.00 0.45 -0.05 0.00 2.66 0.00 0.00 56.10 59.15 1xhh s TRP 29 Cb -0.14 -0.04 0.02 0.00 -3.10 0.00 0.00 33.47 30.21 1xhh s TRP 29 CO 0.02 -0.14 0.16 -1.59 -2.66 0.00 0.00 176.95 172.74 1xhh s LYS 30 N 0.81 0.17 0.12 3.25 -2.85 -1.26 -2.60 119.74 117.37 1xhh s LYS 30 Ca -0.06 0.24 -0.02 0.00 -1.00 0.00 0.00 55.97 55.13 1xhh s LYS 30 Cb -0.08 0.05 0.03 0.00 -2.06 0.00 0.00 37.83 35.77 1xhh s LYS 30 CO -0.04 -0.04 0.16 0.25 0.10 0.00 0.00 175.35 175.78 1xhh n THR 31 N 3.16 0.00 -0.04 3.79 -2.24 -0.31 -5.01 114.28 113.64 1xhh n THR 31 Ca -0.14 -0.12 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1xhh n THR 31 Cb 0.58 -1.89 -0.17 0.00 -2.10 0.00 0.00 70.33 66.76 1xhh n THR 31 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xhh n LYS 32 N -1.33 0.67 -2.69 -0.78 4.01 -1.26 -4.77 118.16 112.01 1xhh n LYS 32 Ca 0.02 -0.13 -0.06 0.00 -0.51 0.00 0.00 58.31 57.63 1xhh n LYS 32 Cb 0.07 -1.52 0.08 0.00 -0.51 0.00 0.00 35.03 33.15 1xhh n LYS 32 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1xhh n ASP 33 N -2.43 -1.75 0.13 4.39 5.75 -1.26 -5.01 116.55 116.36 1xhh n ASP 33 Ca -0.14 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.05 1xhh n ASP 33 Cb 0.78 1.36 0.00 0.00 -1.03 0.00 0.00 41.12 42.22 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xhh s GLU 35 N -2.00 1.13 -0.29 0.00 2.12 -1.26 -3.53 118.70 114.87 1xhh s GLU 35 Ca 0.00 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 1xhh s GLU 35 Cb 0.00 0.51 0.11 0.00 0.26 0.00 0.00 34.13 35.01 1xhh s GLU 35 CO 0.00 -0.46 0.16 -1.21 -0.54 0.00 0.00 175.26 173.21 1xhh s GLU 36 N -3.76 0.22 -0.11 4.30 2.02 -0.68 -1.16 118.70 119.54 1xhh s GLU 36 Ca 0.02 -0.47 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1xhh s GLU 36 Cb 0.01 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 1xhh s GLU 36 CO -0.12 -1.03 -0.17 0.00 0.02 0.00 0.00 175.26 173.96 1xhh s THR 38 N 0.27 1.66 -0.54 0.00 -4.23 -0.09 -2.62 115.64 110.09 1xhh s THR 38 Ca -0.12 -2.17 -0.06 0.00 -1.18 0.00 0.00 61.69 58.16 1xhh s THR 38 Cb -0.16 -2.00 0.14 0.00 1.34 0.00 0.00 72.50 71.82 1xhh s THR 38 CO 0.06 -0.60 0.38 0.00 -0.54 0.00 0.00 174.62 173.92 1xhh s GLY 40 N 1.72 2.55 0.00 0.00 0.00 0.69 -4.79 107.32 107.48 1xhh s GLY 40 Ca 0.11 0.95 0.00 0.00 0.00 0.00 0.00 44.72 45.78 1xhh s GLY 40 CO -0.03 1.95 0.77 -1.06 0.00 0.00 0.00 173.10 174.72 1xhh n GLN 41 N 2.96 0.00 0.00 2.90 6.02 -1.26 -1.05 117.38 126.95 1xhh n GLN 41 Ca 0.06 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1xhh n GLN 41 Cb 0.45 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1xhh n GLN 41 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xhh n ASP 42 N -1.27 2.11 -3.17 1.08 -0.08 -1.26 -5.03 116.55 108.94 1xhh n ASP 42 Ca 0.00 -0.07 -0.08 0.00 -1.51 0.00 0.00 54.79 53.12 1xhh n ASP 42 Cb 0.11 0.57 0.01 0.00 2.34 0.00 0.00 41.12 44.16 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhh s ALA 43 N -0.99 -0.88 -0.09 -1.67 0.00 -0.21 -4.01 121.76 113.91 1xhh s ALA 43 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.35 1xhh s ALA 43 Cb 0.00 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1xhh s ALA 43 CO 0.00 -1.00 -0.16 0.42 0.00 0.00 0.00 175.76 175.01 1xhh s ILE 44 N -2.71 1.52 -0.07 0.00 1.01 0.43 0.25 121.20 121.63 1xhh s ILE 44 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1xhh s ILE 44 Cb -0.05 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1xhh s ILE 44 CO 0.10 0.44 -0.05 -0.55 0.00 0.00 0.00 174.94 174.88 1xhh s SER 45 N 0.71 4.77 -0.06 3.58 0.15 -1.07 0.27 113.70 122.04 1xhh s SER 45 Ca -0.13 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.51 1xhh s SER 45 Cb -0.16 -1.23 0.04 0.00 -1.71 0.00 0.00 66.02 62.96 1xhh s SER 45 CO 0.03 0.36 0.12 0.00 1.20 0.00 0.00 173.24 174.95 1xhh s ASN 48 N 1.23 4.67 0.00 0.00 6.03 -1.26 -1.68 114.94 123.93 1xhh s ASN 48 Ca -0.01 -0.27 0.17 0.00 -1.03 0.00 0.00 52.86 51.71 1xhh s ASN 48 Cb -0.17 -1.80 0.14 0.00 -3.03 0.00 0.00 41.25 36.39 1xhh s ASN 48 CO -0.08 0.02 1.03 0.35 -2.03 0.00 0.00 177.10 176.40 1xhh n THR 49 N 4.51 0.02 -2.21 0.54 -2.24 -1.23 -4.93 114.28 108.74 1xhh n THR 49 Ca -0.17 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 1xhh n THR 49 Cb 0.51 1.33 0.01 0.00 -2.10 0.00 0.00 70.33 70.09 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 -1.37 3.21 1.18 6.98 0.00 -1.26 -5.04 121.76 125.45 1xhh s ALA 50 Ca 0.20 -0.36 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 1xhh s ALA 50 Cb 0.14 -2.83 0.21 0.00 0.00 0.00 0.00 23.12 20.63 1xhh s ALA 50 CO 0.21 -0.66 0.42 0.00 0.00 0.00 0.00 175.76 175.73 1xhh n ALA 51 N -2.60 -3.53 -3.36 0.00 0.00 -1.26 -4.98 120.51 104.78 1xhh n ALA 51 Ca 0.04 -1.34 -0.22 0.00 0.00 0.00 0.00 53.44 51.92 1xhh n ALA 51 Cb 0.55 -1.54 -0.16 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.23 0.84 0.19 0.00 1.09 -0.81 -4.90 121.20 115.38 1xhh s ILE 52 Ca 0.58 -0.33 -0.32 0.00 -1.10 0.00 0.00 60.65 59.47 1xhh s ILE 52 Cb -0.14 -0.78 -0.12 0.00 -1.06 0.00 0.00 42.46 40.35 1xhh s ILE 52 CO 0.60 0.28 1.72 -0.81 -0.10 0.00 0.00 174.94 176.63 1xhh n PRO 53 N 3.69 2.70 -3.57 2.79 -0.04 -1.26 -2.17 135.00 137.14 1xhh n PRO 53 Ca -0.22 0.97 -0.14 0.00 -0.04 0.00 0.00 63.50 64.07 1xhh n PRO 53 Cb 0.52 -2.82 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 1xhh n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xhh n THR 54 N 4.02 0.00 0.00 0.52 -2.24 -1.10 -4.81 114.28 110.67 1xhh n THR 54 Ca 0.16 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.25 1xhh n THR 54 Cb 0.34 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1xhh n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhh n GLY 55 N -0.39 1.61 3.73 3.38 0.00 -1.26 -3.41 105.19 108.85 1xhh n GLY 55 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.39 3.76 -0.44 1.61 1.13 -1.26 -4.74 117.35 116.02 1xhh s TYR 56 Ca 0.00 1.68 -0.37 0.00 -1.41 0.00 0.00 57.07 56.98 1xhh s TYR 56 Cb 0.00 -3.00 -0.14 0.00 -1.10 0.00 0.00 41.96 37.72 1xhh s TYR 56 CO 0.00 0.18 2.22 -0.25 -2.51 0.00 0.00 175.55 175.19 1xhh n ASP 57 N 3.03 1.64 -4.48 -0.18 9.92 -1.26 -4.81 116.55 120.41 1xhh n ASP 57 Ca 0.02 0.42 -0.43 0.00 -0.53 0.00 0.00 54.79 54.26 1xhh n ASP 57 Cb 0.50 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1xhh n ASP 57 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1xhh n THR 58 N 7.08 4.09 -0.09 -3.53 -2.24 -1.26 -4.72 114.28 113.60 1xhh n THR 58 Ca 0.47 -4.37 -0.18 0.00 -2.27 0.00 0.00 64.05 57.70 1xhh n THR 58 Cb 0.16 -2.41 -0.12 0.00 -2.10 0.00 0.00 70.33 65.86 1xhh n THR 58 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xhh h ASN 59 N 7.26 0.00 0.00 3.42 2.35 -2.01 -3.45 115.58 123.15 1xhh h ASN 59 Ca 0.39 -0.69 -0.05 0.00 -0.55 0.00 0.00 56.30 55.40 1xhh h ASN 59 Cb 0.86 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.17 1xhh h ASN 59 CO 1.38 1.24 -0.11 1.17 -1.65 0.00 0.00 177.43 179.46 1xhh n LYS 60 N -4.52 0.00 -2.70 0.81 3.00 -1.26 -5.15 118.16 108.34 1xhh n LYS 60 Ca -0.21 -0.40 -0.21 0.00 -0.00 0.00 0.00 58.31 57.49 1xhh n LYS 60 Cb 0.57 0.42 0.04 0.00 0.00 0.00 0.00 35.03 36.07 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xhh s GLN 62 N -4.75 2.00 -0.08 0.00 1.11 0.54 -4.92 119.66 113.56 1xhh s GLN 62 Ca 0.58 -2.19 0.02 0.00 0.01 0.00 0.00 55.36 53.78 1xhh s GLN 62 Cb -0.09 -1.37 0.01 0.00 -1.01 0.00 0.00 33.01 30.54 1xhh s GLN 62 CO 0.38 -0.23 -0.13 -1.59 0.01 0.00 0.00 175.29 173.74 1xhh s LYS 63 N -3.80 1.85 0.07 2.91 0.00 -1.26 -2.10 119.74 117.41 1xhh s LYS 63 Ca 0.24 -0.45 0.06 0.00 0.00 0.00 0.00 55.97 55.82 1xhh s LYS 63 Cb 0.06 -1.56 -0.03 0.00 0.00 0.00 0.00 37.83 36.30 1xhh s LYS 63 CO 0.12 -0.01 -0.18 -1.50 0.00 0.00 0.00 175.35 173.78 1xhh s ILE 64 N 0.81 1.41 -0.26 3.79 2.07 0.12 -4.98 121.20 124.17 1xhh s ILE 64 Ca -0.11 -1.28 -0.08 0.00 -1.41 0.00 0.00 60.65 57.76 1xhh s ILE 64 Cb -0.15 -1.28 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 1xhh s ILE 64 CO 0.02 -0.03 0.10 -0.22 -1.91 0.00 0.00 174.94 172.90 1xhh s LEU 65 N -1.53 3.58 -0.71 8.50 0.20 -1.26 -0.85 118.68 126.61 1xhh s LEU 65 Ca 0.03 -0.16 -0.27 0.00 0.69 0.00 0.00 54.13 54.42 1xhh s LEU 65 Cb -0.09 -1.97 0.03 0.00 -0.43 0.00 0.00 46.19 43.73 1xhh s LEU 65 CO 0.03 -0.04 1.27 0.21 -0.29 0.00 0.00 176.35 177.53 1xhh s ASN 66 N 1.65 6.20 0.30 3.68 3.84 0.23 -4.83 114.94 126.01 1xhh s ASN 66 Ca 0.07 -0.34 0.25 0.00 0.21 0.00 0.00 52.86 53.05 1xhh s ASN 66 Cb -0.15 -2.56 1.02 0.00 -0.55 0.00 0.00 41.25 39.01 1xhh s ASN 66 CO 0.05 -1.79 1.75 0.07 -2.79 0.00 0.00 177.10 174.40 1xhh h LYS 67 N 10.02 0.00 -0.28 0.43 2.10 -1.95 0.96 116.57 127.85 1xhh h LYS 67 Ca -0.27 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.41 1xhh h LYS 67 Cb 1.05 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 1xhh h LYS 67 CO 1.26 0.00 0.09 0.87 -2.00 0.00 0.00 179.45 179.68 1xhh h LYS 68 N 0.00 0.21 0.00 0.07 1.57 -1.96 -3.25 116.57 113.21 1xhh h LYS 68 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1xhh h LYS 68 Cb 0.41 -0.05 -0.17 0.00 0.08 0.00 0.00 32.23 32.50 1xhh h LYS 68 CO 0.00 0.14 -0.69 0.25 -0.57 0.00 0.00 179.45 178.58 1xhh n THR 69 N -5.03 1.05 -3.27 -0.16 -2.24 -1.18 -5.03 114.28 98.42 1xhh n THR 69 Ca -0.01 -1.93 -0.22 0.00 -2.27 0.00 0.00 64.05 59.62 1xhh n THR 69 Cb 0.10 0.36 0.02 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 -2.24 0.00 -0.04 0.00 -4.23 -0.33 -4.94 115.64 103.87 1xhh s THR 71 Ca 0.24 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1xhh s THR 71 Cb -0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1xhh s THR 71 CO 0.83 0.00 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.47 1xhh s TYR 72 N -3.70 1.30 0.06 3.99 2.02 -1.26 0.76 117.35 120.51 1xhh s TYR 72 Ca 0.33 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 1xhh s TYR 72 Cb 0.03 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.65 1xhh s TYR 72 CO 0.16 -0.14 -0.06 0.95 -1.57 0.00 0.00 175.55 174.90 1xhh s THR 73 N 0.17 0.47 -0.20 -0.71 -4.23 -0.03 -4.93 115.64 106.17 1xhh s THR 73 Ca -0.04 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1xhh s THR 73 Cb -0.10 -0.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.74 1xhh s THR 73 CO 0.01 -0.62 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.76 1xhh s VAL 74 N -2.37 3.77 0.42 2.29 1.01 -1.26 -0.71 120.40 123.56 1xhh s VAL 74 Ca -0.03 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1xhh s VAL 74 Cb -0.03 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1xhh s VAL 74 CO -0.03 0.43 0.31 0.68 0.00 0.00 0.00 175.10 176.49 1xhh s VAL 75 N 1.09 2.49 0.01 2.92 -7.23 -0.89 -1.48 120.40 117.32 1xhh s VAL 75 Ca 0.02 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 1xhh s VAL 75 Cb -0.14 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 1xhh s VAL 75 CO 0.01 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.06 1xhh s GLU 76 N -4.06 2.60 0.23 4.82 2.12 -1.20 -0.34 118.70 122.88 1xhh s GLU 76 Ca 0.45 -0.71 0.19 0.00 0.36 0.00 0.00 54.97 55.26 1xhh s GLU 76 Cb -0.01 -2.55 0.90 0.00 0.26 0.00 0.00 34.13 32.74 1xhh s GLU 76 CO 0.26 0.60 1.58 1.63 -0.54 0.00 0.00 175.26 178.78 1xhh n LYS 77 N 1.40 0.13 0.00 4.30 4.76 -1.24 -1.96 118.16 125.55 1xhh n LYS 77 Ca -0.15 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1xhh n LYS 77 Cb 0.53 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 1xhh n LYS 77 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1xhh n LYS 78 N -2.08 0.15 -2.94 1.97 4.81 -1.26 -4.85 118.16 113.96 1xhh n LYS 78 Ca 0.01 -0.78 -0.13 0.00 -0.87 0.00 0.00 58.31 56.54 1xhh n LYS 78 Cb 0.11 -0.99 -0.01 0.00 0.02 0.00 0.00 35.03 34.16 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 79 N -0.14 -2.11 0.00 3.14 -0.08 -0.83 -4.97 116.55 111.57 1xhh n ASP 79 Ca 0.00 -2.93 0.04 0.00 -1.51 0.00 0.00 54.79 50.39 1xhh n ASP 79 Cb 0.08 0.97 0.24 0.00 2.34 0.00 0.00 41.12 44.75 1xhh n ASP 79 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xhh n PRO 80 N 2.16 0.24 -0.08 -0.67 -0.02 -1.21 -1.94 135.00 133.49 1xhh n PRO 80 Ca 0.17 0.03 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 1xhh n PRO 80 Cb 0.57 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.40 1xhh n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhh n GLY 81 N -0.50 -0.91 3.90 -1.23 0.00 -1.26 -4.88 105.19 100.32 1xhh n GLY 81 Ca 0.06 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.59 3.51 0.36 1.61 -0.14 -0.82 -5.09 119.74 116.58 1xhh s LYS 82 Ca -0.09 -0.26 -0.07 0.00 -1.36 0.00 0.00 55.97 54.19 1xhh s LYS 82 Cb 0.07 -3.02 -0.06 0.00 -1.68 0.00 0.00 37.83 33.14 1xhh s LYS 82 CO 0.77 0.61 0.68 0.95 -0.76 0.00 0.00 175.35 177.60 1xhh s THR 83 N -1.45 4.90 0.00 2.17 -4.23 -1.26 -3.88 115.64 111.89 1xhh s THR 83 Ca 0.33 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1xhh s THR 83 Cb -0.13 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1xhh s THR 83 CO 0.22 -0.48 0.00 0.00 -0.54 0.00 0.00 174.62 173.83 1xhh s ASP 85 N -1.00 7.12 0.26 0.00 1.11 -1.26 -4.95 116.67 117.96 1xhh s ASP 85 Ca 0.00 1.78 0.03 0.00 0.18 0.00 0.00 52.55 54.55 1xhh s ASP 85 Cb 0.00 -2.56 -0.06 0.00 1.07 0.00 0.00 42.92 41.37 1xhh s ASP 85 CO 0.00 -0.23 0.03 -0.69 1.18 0.00 0.00 175.17 175.46 1xhh s VAL 86 N -1.87 1.01 0.00 -1.27 1.01 -1.26 -4.71 120.40 113.31 1xhh s VAL 86 Ca 0.56 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.52 1xhh s VAL 86 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1xhh s VAL 86 CO 0.19 -0.17 0.00 0.41 0.00 0.00 0.00 175.10 175.53 1xhh n THR 87 N -0.51 0.00 -3.18 3.92 -1.04 -1.26 -4.77 114.28 107.44 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 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.81 -0.92 3.08 3.41 0.00 -1.22 -4.99 105.19 105.36 1xhh n GLY 88 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.00 0.85 -0.09 1.61 0.51 -1.26 -2.72 118.94 114.85 1xhh s TRP 89 Ca 0.00 -0.39 -0.07 0.00 -2.12 0.00 0.00 56.10 53.53 1xhh s TRP 89 Cb 0.00 -0.51 0.03 0.00 -0.81 0.00 0.00 33.47 32.18 1xhh s TRP 89 CO 0.00 -0.02 0.22 0.08 -0.51 0.00 0.00 176.95 176.72 1xhh s VAL 90 N -1.02 -0.01 -2.00 4.03 1.01 -0.92 -4.90 120.40 116.58 1xhh s VAL 90 Ca -0.04 0.05 0.25 0.00 0.00 0.00 0.00 61.98 62.23 1xhh s VAL 90 Cb -0.08 -0.32 0.70 0.00 0.00 0.00 0.00 36.38 36.68 1xhh s VAL 90 CO 0.01 0.02 1.82 0.18 0.00 0.00 0.00 175.10 177.13