#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hxs s ALA 3 N 0.00 3.38 -0.25 4.61 0.00 -1.26 -4.70 121.76 123.54 1hxs s ALA 3 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.38 1hxs s ALA 3 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1hxs s ALA 3 CO 0.00 0.24 0.14 -1.14 0.00 0.00 0.00 175.76 175.00 1hxs s GLN 4 N -1.18 3.94 -0.19 0.00 2.00 0.50 -4.95 119.66 119.77 1hxs s GLN 4 Ca 0.39 -0.34 -0.04 0.00 -2.00 0.00 0.00 55.36 53.37 1hxs s GLN 4 Cb -0.25 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.04 1hxs s GLN 4 CO 0.30 -0.05 -0.02 0.08 -0.50 0.00 0.00 175.29 175.10 1hxs s VAL 5 N 1.33 3.80 0.21 1.34 1.01 -1.26 -0.41 120.40 126.42 1hxs s VAL 5 Ca 0.07 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1hxs s VAL 5 Cb -0.15 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1hxs s VAL 5 CO 0.06 0.45 0.02 -0.44 0.00 0.00 0.00 175.10 175.19 1hxs s SER 6 N 0.87 1.44 0.13 3.32 0.01 -0.30 -4.95 113.70 114.22 1hxs s SER 6 Ca -0.00 -1.24 -0.04 0.00 1.31 0.00 0.00 55.95 55.99 1hxs s SER 6 Cb -0.14 0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1hxs s SER 6 CO 0.02 -0.58 0.34 -0.94 0.41 0.00 0.00 173.24 172.49 1hxs s SER 7 N -3.25 6.46 0.16 2.44 1.04 -1.26 -0.19 113.70 119.09 1hxs s SER 7 Ca 0.29 0.51 -0.11 0.00 0.48 0.00 0.00 55.95 57.12 1hxs s SER 7 Cb 0.06 -2.06 -0.07 0.00 0.10 0.00 0.00 66.02 64.06 1hxs s SER 7 CO 0.08 0.07 0.50 -1.10 0.98 0.00 0.00 173.24 173.77 1hxs s GLN 8 N -2.67 3.84 -0.63 4.02 -0.21 0.97 -4.88 119.66 120.10 1hxs s GLN 8 Ca 0.40 0.30 -0.22 0.00 0.02 0.00 0.00 55.36 55.86 1hxs s GLN 8 Cb -0.12 -2.84 0.07 0.00 1.00 0.00 0.00 33.01 31.11 1hxs s GLN 8 CO 0.26 0.44 0.93 0.21 -2.12 0.00 0.00 175.29 175.00 1hxs s LYS 9 N -2.29 3.13 -0.19 2.91 2.20 -1.26 -4.67 119.74 119.57 1hxs s LYS 9 Ca 0.40 -0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1hxs s LYS 9 Cb -0.13 -4.20 -0.01 0.00 -1.51 0.00 0.00 37.83 31.98 1hxs s LYS 9 CO 0.20 -1.73 1.20 0.08 -0.36 0.00 0.00 175.35 174.74 1hxs s VAL 10 N 3.88 4.39 0.00 4.02 1.01 -1.26 -4.98 120.40 127.46 1hxs s VAL 10 Ca 0.22 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1hxs s VAL 10 Cb -0.17 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1hxs s VAL 10 CO 0.11 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1hxs n GLY 11 N 3.55 1.74 3.72 4.51 0.00 -1.26 -4.85 105.19 112.60 1hxs n GLY 11 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1hxs n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hxs s ALA 12 N -4.01 3.37 -0.13 4.61 0.00 -1.26 -5.03 121.76 119.31 1hxs s ALA 12 Ca 0.00 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1hxs s ALA 12 Cb 0.00 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1hxs s ALA 12 CO 0.00 -0.40 0.02 -1.01 0.00 0.00 0.00 175.76 174.37 1hxs s HIS 13 N 0.88 3.18 0.62 0.00 3.76 -1.26 -5.01 115.29 117.47 1hxs s HIS 13 Ca 0.57 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 55.40 1hxs s HIS 13 Cb -0.29 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 1hxs s HIS 13 CO 0.30 0.29 1.07 -2.00 -0.85 0.00 0.00 174.74 173.55 1hxs s GLU 14 N -0.27 3.11 0.00 1.40 2.12 -1.26 -4.84 118.70 118.96 1hxs s GLU 14 Ca 0.07 1.24 -0.08 0.00 0.36 0.00 0.00 54.97 56.55 1hxs s GLU 14 Cb -0.12 -2.00 -0.10 0.00 0.26 0.00 0.00 34.13 32.17 1hxs s GLU 14 CO 0.02 -0.98 0.90 0.09 -0.54 0.00 0.00 175.26 174.75 1hxs n ASN 15 N -2.27 0.14 -3.68 -1.70 3.02 -1.26 -4.32 115.26 105.20 1hxs n ASN 15 Ca 0.09 -1.68 -0.11 0.00 -0.03 0.00 0.00 54.58 52.85 1hxs n ASN 15 Cb 0.53 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 1hxs n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1hxs s SER 16 N 4.53 -0.65 -0.31 6.41 0.15 -1.26 -5.03 113.70 117.54 1hxs s SER 16 Ca 0.17 1.15 0.18 0.00 0.70 0.00 0.00 55.95 58.16 1hxs s SER 16 Cb 0.04 1.10 0.46 0.00 -1.71 0.00 0.00 66.02 65.91 1hxs s SER 16 CO 0.09 -0.20 1.20 -3.20 1.20 0.00 0.00 173.24 172.33 1hxs n ASN 17 N 3.52 0.47 -0.91 5.45 5.15 -1.26 -0.96 115.26 126.71 1hxs n ASN 17 Ca -0.18 -2.26 -0.02 0.00 -0.60 0.00 0.00 54.58 51.52 1hxs n ASN 17 Cb 0.57 -0.06 -0.03 0.00 -0.53 0.00 0.00 39.78 39.73 1hxs n ASN 17 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1hxs n ARG 18 N -0.71 0.00 0.00 1.20 0.00 -1.26 -4.86 116.66 111.04 1hxs n ARG 18 Ca 0.01 -0.93 0.00 0.00 -0.00 0.00 0.00 57.85 56.93 1hxs n ARG 18 Cb 0.83 0.18 0.00 0.00 0.00 0.00 0.00 32.46 33.46 1hxs n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1hxs n ALA 19 N 0.09 0.00 -1.92 5.13 0.00 -1.26 -5.14 120.51 117.42 1hxs n ALA 19 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1hxs n ALA 19 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1hxs n ALA 19 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1hxs n TYR 20 N 0.00 0.00 -0.06 0.00 9.36 -1.26 -4.85 117.16 120.36 1hxs n TYR 20 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 1hxs n TYR 20 Cb 0.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 1hxs n TYR 20 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1hxs n GLY 21 N 5.00 -0.19 0.00 2.98 0.00 -0.14 -3.77 105.19 109.08 1hxs n GLY 21 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1hxs n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hxs n GLY 22 N -1.07 -0.41 3.29 -0.02 0.00 -1.15 -4.81 105.19 101.02 1hxs n GLY 22 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1hxs n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hxs n SER 23 N -2.09 -0.28 0.00 1.61 3.41 -1.25 -4.53 113.62 110.50 1hxs n SER 23 Ca 0.00 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.71 1hxs n SER 23 Cb 0.00 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1hxs n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1hxs n THR 24 N 6.64 0.00 -3.42 6.66 5.66 -1.26 -4.85 114.28 123.70 1hxs n THR 24 Ca 0.21 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.83 1hxs n THR 24 Cb 0.47 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 1hxs n THR 24 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1hxs s ILE 25 N 0.00 5.21 0.39 1.09 1.01 -1.26 -4.99 121.20 122.64 1hxs s ILE 25 Ca 0.00 0.58 0.06 0.00 0.00 0.00 0.00 60.65 61.28 1hxs s ILE 25 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1hxs s ILE 25 CO 0.00 0.22 0.55 0.20 0.00 0.00 0.00 174.94 175.91 1hxs s ASN 26 N 1.31 5.81 0.08 3.58 0.01 -1.26 -0.02 114.94 124.45 1hxs s ASN 26 Ca 0.16 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 52.11 1hxs s ASN 26 Cb -0.15 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.39 1hxs s ASN 26 CO 0.08 -0.61 -0.00 -0.72 -1.51 0.00 0.00 177.10 174.34 1hxs s TYR 27 N -2.32 0.63 -0.05 2.20 1.13 0.73 -4.82 117.35 114.84 1hxs s TYR 27 Ca 0.49 -1.12 0.06 0.00 -1.41 0.00 0.00 57.07 55.10 1hxs s TYR 27 Cb -0.10 -0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 40.33 1hxs s TYR 27 CO 0.33 -0.42 -0.25 0.99 -2.51 0.00 0.00 175.55 173.69 1hxs s THR 28 N -3.96 2.11 -0.05 -3.49 2.01 -1.26 -1.15 115.64 109.85 1hxs s THR 28 Ca 0.12 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1hxs s THR 28 Cb 0.08 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.84 1hxs s THR 28 CO -0.06 0.57 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.41 1hxs s THR 29 N -0.26 1.24 -0.10 -0.82 2.01 0.45 -4.97 115.64 113.20 1hxs s THR 29 Ca -0.01 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1hxs s THR 29 Cb -0.13 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.31 1hxs s THR 29 CO 0.03 0.37 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 1hxs s ILE 30 N 0.25 1.16 0.03 1.82 1.01 -1.26 -0.37 121.20 123.84 1hxs s ILE 30 Ca -0.07 -0.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1hxs s ILE 30 Cb -0.12 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1hxs s ILE 30 CO 0.02 0.38 0.97 0.20 0.00 0.00 0.00 174.94 176.51 1hxs s ASN 31 N 1.18 7.40 0.00 3.58 0.02 -1.26 -4.94 114.94 120.91 1hxs s ASN 31 Ca -0.04 1.69 0.23 0.00 -1.02 0.00 0.00 52.86 53.72 1hxs s ASN 31 Cb -0.14 -2.57 0.06 0.00 0.02 0.00 0.00 41.25 38.61 1hxs s ASN 31 CO -0.03 -0.20 1.11 -1.22 0.02 0.00 0.00 177.10 176.78 1hxs n TYR 32 N 3.57 0.00 -4.44 2.20 4.01 -1.26 -4.98 117.16 116.27 1hxs n TYR 32 Ca 0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 1hxs n TYR 32 Cb 0.50 -0.04 -0.13 0.00 -0.31 0.00 0.00 39.34 39.36 1hxs n TYR 32 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1hxs s TYR 33 N -2.74 2.12 0.27 -0.72 1.51 -1.26 -5.03 117.35 111.49 1hxs s TYR 33 Ca 0.14 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1hxs s TYR 33 Cb 0.17 -1.17 0.37 0.00 -0.11 0.00 0.00 41.96 41.22 1hxs s TYR 33 CO 0.70 0.26 1.69 -0.09 -1.11 0.00 0.00 175.55 176.99 1hxs h ARG 34 N 4.12 0.47 -6.26 -0.62 2.43 -2.02 -3.43 114.38 109.07 1hxs h ARG 34 Ca -0.48 -0.20 -0.56 0.00 -0.81 0.00 0.00 59.98 57.93 1hxs h ARG 34 Cb 1.17 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 1hxs h ARG 34 CO 0.40 0.73 0.54 -0.51 -1.51 0.00 0.00 179.97 179.61 1hxs s ASP 35 N -6.83 7.24 0.54 -3.80 1.01 -1.26 -4.93 116.67 108.65 1hxs s ASP 35 Ca -0.07 1.53 0.32 0.00 0.71 0.00 0.00 52.55 55.04 1hxs s ASP 35 Cb 0.13 -2.55 1.45 0.00 1.01 0.00 0.00 42.92 42.97 1hxs s ASP 35 CO 0.80 -0.42 2.03 0.77 0.21 0.00 0.00 175.17 178.55 1hxs h SER 36 N 7.07 0.00 -0.02 0.27 4.64 -2.00 -0.98 113.55 122.54 1hxs h SER 36 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 1hxs h SER 36 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1hxs h SER 36 CO 0.84 0.07 0.02 0.00 -0.87 0.00 0.00 176.83 176.89 1hxs h ALA 37 N 1.93 1.53 0.00 5.18 0.00 -1.97 -1.35 119.26 124.58 1hxs h ALA 37 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hxs h ALA 37 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1hxs h ALA 37 CO 0.01 -0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.00 1hxs h SER 38 N 0.00 0.00 -4.07 0.00 0.02 -1.56 -3.46 113.55 104.49 1hxs h SER 38 Ca 0.01 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.42 1hxs h SER 38 Cb 0.05 0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.71 1hxs h SER 38 CO -0.00 0.00 0.54 0.20 -1.14 0.00 0.00 176.83 176.43 1hxs s ASN 39 N -5.65 5.23 1.06 3.07 0.01 -0.51 -4.99 114.94 113.16 1hxs s ASN 39 Ca 0.03 2.59 -0.12 0.00 -0.71 0.00 0.00 52.86 54.64 1hxs s ASN 39 Cb 0.08 -2.62 0.22 0.00 0.41 0.00 0.00 41.25 39.35 1hxs s ASN 39 CO 0.55 -1.58 1.07 0.00 -1.51 0.00 0.00 177.10 175.63 1hxs s ALA 40 N -1.42 0.39 0.15 0.60 0.00 -1.26 -5.00 121.76 115.22 1hxs s ALA 40 Ca 0.74 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.24 1hxs s ALA 40 Cb -0.36 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1hxs s ALA 40 CO 0.41 -3.25 0.93 0.00 0.00 0.00 0.00 175.76 173.85 1hxs s ALA 41 N -2.72 3.29 -0.18 0.00 0.00 -1.26 -4.96 121.76 115.93 1hxs s ALA 41 Ca 0.67 0.56 0.16 0.00 0.00 0.00 0.00 51.96 53.35 1hxs s ALA 41 Cb -0.22 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 19.82 1hxs s ALA 41 CO 0.61 0.07 1.48 0.66 0.00 0.00 0.00 175.76 178.58 1hxs h SER 42 N 5.09 0.00 0.00 0.00 4.64 -2.04 -3.47 113.55 117.78 1hxs h SER 42 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1hxs h SER 42 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1hxs h SER 42 CO 0.70 0.43 0.00 0.29 -0.87 0.00 0.00 176.83 177.38 1hxs n LYS 43 N -3.22 -1.23 -2.56 4.77 4.76 -1.26 -4.90 118.16 114.52 1hxs n LYS 43 Ca 0.02 0.31 -0.43 0.00 -2.87 0.00 0.00 58.31 55.34 1hxs n LYS 43 Cb 0.70 -4.54 0.00 0.00 -1.84 0.00 0.00 35.03 29.35 1hxs n LYS 43 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1hxs n GLN 44 N -0.28 3.26 -4.14 1.97 6.02 -1.26 -4.96 117.38 117.99 1hxs n GLN 44 Ca 0.00 -3.42 -0.22 0.00 -0.01 0.00 0.00 57.00 53.35 1hxs n GLN 44 Cb 0.31 -3.24 -0.05 0.00 1.02 0.00 0.00 30.24 28.27 1hxs n GLN 44 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1hxs s ASP 45 N 3.20 5.39 0.15 1.08 1.01 -1.26 -5.11 116.67 121.13 1hxs s ASP 45 Ca 0.48 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.45 1hxs s ASP 45 Cb 0.04 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 1hxs s ASP 45 CO 0.02 -0.03 0.30 -0.36 0.21 0.00 0.00 175.17 175.31 1hxs s PHE 46 N -2.14 3.49 0.40 4.23 0.08 -1.26 -5.11 117.98 117.67 1hxs s PHE 46 Ca 0.33 0.18 0.08 0.00 0.12 0.00 0.00 56.93 57.63 1hxs s PHE 46 Cb -0.08 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1hxs s PHE 46 CO 0.24 0.50 0.37 -1.12 -0.10 0.00 0.00 175.22 175.11 1hxs s SER 47 N -3.13 5.12 0.13 1.36 0.01 -1.26 -5.14 113.70 110.79 1hxs s SER 47 Ca 0.35 -0.69 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 1hxs s SER 47 Cb -0.11 -0.65 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1hxs s SER 47 CO 0.28 -0.60 0.21 0.00 0.41 0.00 0.00 173.24 173.54 1hxs s GLN 48 N -4.11 1.01 0.30 12.44 -2.07 -1.26 -5.14 119.66 120.83 1hxs s GLN 48 Ca 0.47 -1.16 -0.29 0.00 -1.82 0.00 0.00 55.36 52.56 1hxs s GLN 48 Cb -0.04 0.34 -0.10 0.00 -1.09 0.00 0.00 33.01 32.12 1hxs s GLN 48 CO 0.28 -0.34 1.35 0.34 -1.32 0.00 0.00 175.29 175.60 1hxs s ASP 49 N -2.95 6.72 0.00 12.60 2.15 -1.26 -4.92 116.67 129.01 1hxs s ASP 49 Ca 0.15 2.68 0.31 0.00 0.43 0.00 0.00 52.55 56.12 1hxs s ASP 49 Cb 0.05 -2.64 1.77 0.00 -0.30 0.00 0.00 42.92 41.79 1hxs s ASP 49 CO -0.03 -0.60 2.16 -0.81 -0.17 0.00 0.00 175.17 175.72 1hxs n PRO 50 N 1.33 0.92 -0.18 4.34 -0.04 -1.26 -4.45 135.00 135.66 1hxs n PRO 50 Ca 0.02 -0.06 0.30 0.00 -0.04 0.00 0.00 63.50 63.72 1hxs n PRO 50 Cb 0.41 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.10 1hxs n PRO 50 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1hxs h SER 51 N 0.15 0.00 0.67 3.54 0.02 -1.94 0.12 113.55 116.11 1hxs h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1hxs h SER 51 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1hxs h SER 51 CO 0.00 0.00 0.00 0.07 -1.14 0.00 0.00 176.83 175.76 1hxs h LYS 52 N 0.00 0.00 0.00 3.45 2.10 -1.86 -0.06 116.57 120.20 1hxs h LYS 52 Ca 0.44 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.86 1hxs h LYS 52 Cb 1.88 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.16 1hxs h LYS 52 CO -0.00 0.00 -1.86 1.19 -2.00 0.00 0.00 179.45 176.77 1hxs n PHE 53 N -2.66 0.00 0.08 0.07 3.72 0.30 -4.47 117.46 114.50 1hxs n PHE 53 Ca 0.01 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.42 1hxs n PHE 53 Cb 0.22 -0.58 -0.04 0.00 -0.94 0.00 0.00 39.48 38.14 1hxs n PHE 53 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1hxs h THR 54 N 0.00 0.67 -1.91 4.37 1.35 -1.18 -3.40 112.91 112.81 1hxs h THR 54 Ca -0.34 -2.10 -0.48 0.00 -0.55 0.00 0.00 66.41 62.94 1hxs h THR 54 Cb 1.55 2.21 -0.40 0.00 -1.73 0.00 0.00 68.15 69.77 1hxs h THR 54 CO -0.05 0.38 -1.14 -0.62 -0.25 0.00 0.00 175.52 173.85 1hxs n GLU 55 N -3.04 1.23 -0.24 4.72 1.02 -0.04 -4.96 120.64 119.33 1hxs n GLU 55 Ca -0.04 -3.52 -0.03 0.00 -0.02 0.00 0.00 57.16 53.55 1hxs n GLU 55 Cb 0.79 -1.72 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1hxs n GLU 55 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1hxs n PRO 56 N 0.18 1.16 -3.35 3.49 -0.04 -1.20 -4.78 135.00 130.46 1hxs n PRO 56 Ca 0.24 -0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1hxs n PRO 56 Cb 0.65 -1.15 -0.05 0.00 -0.04 0.00 0.00 33.50 32.91 1hxs n PRO 56 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1hxs s ILE 57 N -0.44 4.89 0.06 0.52 -4.36 -1.26 -5.00 121.20 115.62 1hxs s ILE 57 Ca 0.07 0.52 -0.20 0.00 -0.26 0.00 0.00 60.65 60.78 1hxs s ILE 57 Cb 0.06 -3.63 -0.11 0.00 1.25 0.00 0.00 42.46 40.03 1hxs s ILE 57 CO 0.01 -0.12 1.47 0.50 0.24 0.00 0.00 174.94 177.04 1hxs h LYS 58 N 2.40 0.34 -5.14 0.37 3.64 -2.04 -3.40 116.57 112.74 1hxs h LYS 58 Ca -0.47 -0.12 -0.64 0.00 -1.27 0.00 0.00 60.65 58.15 1hxs h LYS 58 Cb 1.17 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.82 1hxs h LYS 58 CO 0.68 0.58 -0.19 -0.51 -2.27 0.00 0.00 179.45 177.75 1hxs s ASP 59 N -5.90 6.26 0.01 4.20 1.01 -1.26 -5.02 116.67 115.97 1hxs s ASP 59 Ca -0.14 0.09 -0.17 0.00 0.71 0.00 0.00 52.55 53.05 1hxs s ASP 59 Cb 0.06 -2.23 -0.09 0.00 1.01 0.00 0.00 42.92 41.68 1hxs s ASP 59 CO 0.73 -0.31 0.44 0.52 0.21 0.00 0.00 175.17 176.77 1hxs n VAL 60 N 5.23 0.11 -3.04 -1.27 0.31 -1.26 -4.95 118.33 113.46 1hxs n VAL 60 Ca -0.07 -0.03 -0.41 0.00 -0.01 0.00 0.00 64.34 63.82 1hxs n VAL 60 Cb 0.50 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.37 1hxs n VAL 60 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1hxs s LEU 61 N 0.16 4.08 -0.44 7.52 2.96 -1.26 -5.02 118.68 126.68 1hxs s LEU 61 Ca 0.38 0.83 -0.12 0.00 -0.22 0.00 0.00 54.13 55.01 1hxs s LEU 61 Cb -0.54 -2.97 0.07 0.00 0.50 0.00 0.00 46.19 43.25 1hxs s LEU 61 CO 0.25 -0.41 0.32 -0.63 -1.32 0.00 0.00 176.35 174.56 1hxs s ILE 62 N 2.55 4.75 0.53 6.68 1.01 -1.26 -4.99 121.20 130.46 1hxs s ILE 62 Ca 0.29 -1.20 0.20 0.00 0.00 0.00 0.00 60.65 59.95 1hxs s ILE 62 Cb -0.15 -3.85 0.31 0.00 0.01 0.00 0.00 42.46 38.78 1hxs s ILE 62 CO 0.08 -0.52 2.12 0.07 0.00 0.00 0.00 174.94 176.69 1hxs h LYS 63 N 8.58 0.00 0.00 2.79 2.10 -1.98 -0.21 116.57 127.85 1hxs h LYS 63 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1hxs h LYS 63 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1hxs h LYS 63 CO 0.81 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.51 1hxs n THR 64 N -4.39 0.67 -2.95 0.07 -2.24 -1.26 -4.84 114.28 99.35 1hxs n THR 64 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1hxs n THR 64 Cb 0.23 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 67.61 1hxs n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hxs s ALA 65 N -3.17 3.67 0.23 6.98 0.00 -0.09 -5.04 121.76 124.34 1hxs s ALA 65 Ca 0.08 -0.95 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 1hxs s ALA 65 Cb 0.11 -2.23 -0.12 0.00 0.00 0.00 0.00 23.12 20.89 1hxs s ALA 65 CO 0.48 -0.37 1.69 -1.25 0.00 0.00 0.00 175.76 176.31 1hxs s PRO 66 N -4.58 4.12 0.33 0.00 0.04 -1.26 -4.89 135.00 128.75 1hxs s PRO 66 Ca 0.48 2.61 0.03 0.00 0.04 0.00 0.00 61.00 64.15 1hxs s PRO 66 Cb -0.10 -3.06 0.58 0.00 0.04 0.00 0.00 34.50 31.96 1hxs s PRO 66 CO 0.39 -0.73 1.91 1.98 0.04 0.00 0.00 177.00 180.59 1hxs h MET 67 N 6.23 0.68 -4.91 4.56 4.05 -1.93 -3.39 114.93 120.22 1hxs h MET 67 Ca -0.44 -0.11 -0.67 0.00 -0.28 0.00 0.00 59.70 58.20 1hxs h MET 67 Cb 1.21 -0.12 -0.28 0.00 -0.80 0.00 0.00 31.60 31.61 1hxs h MET 67 CO 0.91 0.59 -0.69 -0.51 0.23 0.00 0.00 176.91 177.44 1hxs s LEU 68 N -9.33 3.30 0.00 3.39 1.43 -1.26 -5.11 118.68 111.10 1hxs s LEU 68 Ca -0.09 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1hxs s LEU 68 Cb 0.16 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1hxs s LEU 68 CO 0.77 -0.10 0.00 -3.20 0.23 0.00 0.00 176.35 174.05