#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuu s SER 2 N 0.00 0.03 0.48 1.61 0.15 -1.26 -5.18 113.70 109.53 2yuu s SER 2 Ca 0.00 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.30 2yuu s SER 2 Cb 0.00 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2yuu s SER 2 CO 0.00 -0.59 0.17 -0.55 1.20 0.00 0.00 173.24 173.47 2yuu s SER 3 N -2.20 4.34 0.21 5.45 0.15 -1.26 -5.16 113.70 115.23 2yuu s SER 3 Ca -0.04 -1.33 0.01 0.00 0.70 0.00 0.00 55.95 55.29 2yuu s SER 3 Cb -0.00 0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.34 2yuu s SER 3 CO -0.05 -0.78 0.07 -0.83 1.20 0.00 0.00 173.24 172.85 2yuu s GLY 4 N -3.98 1.49 -0.18 9.45 0.00 -1.26 -5.17 107.32 107.67 2yuu s GLY 4 Ca 0.28 -1.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.10 2yuu s GLY 4 CO 0.16 -1.52 0.48 -0.45 0.00 0.00 0.00 173.10 171.76 2yuu s SER 5 N -3.23 -0.51 1.06 1.64 0.15 -1.26 -5.16 113.70 106.39 2yuu s SER 5 Ca 0.33 0.97 -0.14 0.00 0.70 0.00 0.00 55.95 57.82 2yuu s SER 5 Cb 0.07 0.97 0.16 0.00 -1.71 0.00 0.00 66.02 65.51 2yuu s SER 5 CO 0.10 -0.17 0.67 -1.20 1.20 0.00 0.00 173.24 173.84 2yuu n SER 6 N 2.99 -1.51 -2.64 5.45 7.64 -1.26 -4.95 113.62 119.34 2yuu n SER 6 Ca -0.14 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 59.52 2yuu n SER 6 Cb 0.57 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2yuu n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuu n GLY 7 N 1.20 5.89 3.72 0.23 0.00 -1.26 -5.07 105.19 109.90 2yuu n GLY 7 Ca 0.05 -2.72 -0.37 0.00 0.00 0.00 0.00 46.02 42.99 2yuu n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2yuu n LYS 8 N -0.45 1.01 -1.69 1.61 2.85 -1.26 -4.97 118.16 115.26 2yuu n LYS 8 Ca 0.41 0.40 -0.33 0.00 -1.05 0.00 0.00 58.31 57.74 2yuu n LYS 8 Cb 0.54 -2.51 0.06 0.00 -0.65 0.00 0.00 35.03 32.46 2yuu n LYS 8 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2yuu s GLN 9 N -3.44 2.67 -0.02 -1.58 1.03 -1.26 -5.05 119.66 112.01 2yuu s GLN 9 Ca 0.82 1.43 -0.29 0.00 0.04 0.00 0.00 55.36 57.36 2yuu s GLN 9 Cb -0.37 -1.93 0.10 0.00 0.03 0.00 0.00 33.01 30.84 2yuu s GLN 9 CO 0.41 -1.36 0.89 0.00 -2.54 0.00 0.00 175.29 172.70 2yuu s ALA 10 N -2.32 -1.83 0.06 2.60 0.00 -1.26 -5.11 121.76 113.90 2yuu s ALA 10 Ca 0.68 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 53.57 2yuu s ALA 10 Cb -0.21 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2yuu s ALA 10 CO 0.43 -0.66 0.30 -1.59 0.00 0.00 0.00 175.76 174.24 2yuu s LYS 11 N -2.95 0.84 -0.13 0.00 -2.85 -1.26 -5.12 119.74 108.27 2yuu s LYS 11 Ca 0.04 -0.59 -0.05 0.00 -1.00 0.00 0.00 55.97 54.37 2yuu s LYS 11 Cb -0.01 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.08 2yuu s LYS 11 CO -0.08 -0.28 0.04 0.42 0.10 0.00 0.00 175.35 175.55 2yuu s ILE 12 N -2.86 4.59 -0.51 3.79 1.01 -1.26 -4.14 121.20 121.81 2yuu s ILE 12 Ca -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 2yuu s ILE 12 Cb 0.00 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.57 2yuu s ILE 12 CO -0.05 0.55 0.48 -1.00 0.00 0.00 0.00 174.94 174.92 2yuu s HIS 13 N -0.37 3.21 -0.42 3.97 3.76 -0.82 -4.95 115.29 119.67 2yuu s HIS 13 Ca 0.08 -1.03 -0.06 0.00 -0.15 0.00 0.00 55.06 53.90 2yuu s HIS 13 Cb -0.12 -3.51 -0.18 0.00 1.11 0.00 0.00 32.58 29.88 2yuu s HIS 13 CO 0.02 -0.94 3.00 0.66 -0.85 0.00 0.00 174.74 176.63 2yuu n TYR 14 N 5.39 0.62 -3.17 1.40 4.02 -1.25 -3.35 117.16 120.82 2yuu n TYR 14 Ca -0.12 -1.70 -0.39 0.00 -0.01 0.00 0.00 57.90 55.68 2yuu n TYR 14 Cb 0.42 -1.65 -0.06 0.00 -0.02 0.00 0.00 39.34 38.03 2yuu n TYR 14 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2yuu s ILE 15 N 1.71 4.66 -0.54 -0.72 1.09 -1.25 -3.95 121.20 122.20 2yuu s ILE 15 Ca 0.57 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 61.50 2yuu s ILE 15 Cb 0.23 -3.98 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 2yuu s ILE 15 CO -0.02 0.52 0.00 0.29 -0.10 0.00 0.00 174.94 175.63 2yuu n LYS 16 N 1.89 -2.08 -2.49 2.79 4.76 -1.26 0.16 118.16 121.93 2yuu n LYS 16 Ca -0.08 0.31 -0.06 0.00 -2.87 0.00 0.00 58.31 55.60 2yuu n LYS 16 Cb 0.50 -4.69 0.01 0.00 -1.84 0.00 0.00 35.03 29.01 2yuu n LYS 16 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2yuu n ASN 17 N -0.91 -2.82 -3.67 4.39 5.15 -1.25 -3.03 115.26 113.12 2yuu n ASN 17 Ca -0.07 -0.08 -0.17 0.00 -0.60 0.00 0.00 54.58 53.66 2yuu n ASN 17 Cb 0.42 -1.72 -0.01 0.00 -0.53 0.00 0.00 39.78 37.94 2yuu n ASN 17 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2yuu n HIS 18 N -3.55 -0.45 -2.06 1.20 8.25 0.42 -3.78 115.22 115.25 2yuu n HIS 18 Ca -0.03 -1.43 0.04 0.00 -0.26 0.00 0.00 57.72 56.04 2yuu n HIS 18 Cb 0.53 -0.25 0.07 0.00 1.12 0.00 0.00 29.99 31.46 2yuu n HIS 18 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2yuu n GLU 19 N -1.12 0.47 -1.44 -0.41 1.02 -1.24 -3.82 120.64 114.11 2yuu n GLU 19 Ca -0.05 -2.13 -0.63 0.00 -0.02 0.00 0.00 57.16 54.34 2yuu n GLU 19 Cb 0.38 -0.60 -0.11 0.00 -0.02 0.00 0.00 31.44 31.08 2yuu n GLU 19 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2yuu n PHE 20 N -0.15 1.39 -4.27 -0.32 3.72 -1.21 -4.22 117.46 112.41 2yuu n PHE 20 Ca 0.09 0.89 -0.34 0.00 -0.05 0.00 0.00 57.45 58.04 2yuu n PHE 20 Cb 0.91 -2.27 -0.12 0.00 -0.94 0.00 0.00 39.48 37.05 2yuu n PHE 20 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2yuu s ILE 21 N 4.92 3.85 -0.33 4.37 1.01 -0.95 -1.95 121.20 132.12 2yuu s ILE 21 Ca 1.14 -0.36 -0.39 0.00 0.00 0.00 0.00 60.65 61.05 2yuu s ILE 21 Cb -1.48 -2.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 2yuu s ILE 21 CO 0.71 0.47 1.98 0.00 0.00 0.00 0.00 174.94 178.11 2yuu n ALA 22 N 3.85 0.41 -2.99 9.38 0.00 -1.26 -3.33 120.51 126.57 2yuu n ALA 22 Ca -0.17 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2yuu n ALA 22 Cb 0.52 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.52 2yuu n ALA 22 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yuu s THR 23 N 5.43 0.10 -0.14 0.00 -1.32 -1.25 -4.99 115.64 113.47 2yuu s THR 23 Ca 1.06 -0.84 -0.11 0.00 -1.21 0.00 0.00 61.69 60.59 2yuu s THR 23 Cb -1.03 -0.27 -0.05 0.00 -1.51 0.00 0.00 72.50 69.64 2yuu s THR 23 CO 0.59 -0.46 0.22 0.12 -2.21 0.00 0.00 174.62 172.88 2yuu s PHE 24 N -1.38 3.52 -0.57 9.09 5.36 -1.26 -3.28 117.98 129.46 2yuu s PHE 24 Ca -0.15 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2yuu s PHE 24 Cb -0.09 -2.18 0.15 0.00 -0.34 0.00 0.00 43.02 40.55 2yuu s PHE 24 CO -0.01 0.44 0.35 -0.06 -1.46 0.00 0.00 175.22 174.49 2yuu s PHE 25 N -0.16 3.32 -1.13 10.12 0.40 -1.26 -4.92 117.98 124.35 2yuu s PHE 25 Ca 0.15 -2.92 0.00 0.00 -0.60 0.00 0.00 56.93 53.56 2yuu s PHE 25 Cb -0.13 -3.03 0.00 0.00 0.51 0.00 0.00 43.02 40.37 2yuu s PHE 25 CO 0.04 -0.80 0.93 0.41 0.70 0.00 0.00 175.22 176.50 2yuu n GLY 26 N 3.34 -0.43 3.38 4.36 0.00 -1.26 -4.58 105.19 110.00 2yuu n GLY 26 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2yuu n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yuu s GLN 27 N -2.86 1.39 -1.12 1.61 -2.07 -1.26 -5.05 119.66 110.30 2yuu s GLN 27 Ca 0.00 -1.40 -0.23 0.00 -1.82 0.00 0.00 55.36 51.91 2yuu s GLN 27 Cb 0.00 -1.73 -0.08 0.00 -1.09 0.00 0.00 33.01 30.11 2yuu s GLN 27 CO 0.00 0.39 1.94 -1.25 -1.32 0.00 0.00 175.29 175.05 2yuu s PRO 28 N -2.38 2.50 0.70 9.60 0.04 -1.26 -4.74 135.00 139.47 2yuu s PRO 28 Ca 0.16 -0.95 -0.11 0.00 0.04 0.00 0.00 61.00 60.14 2yuu s PRO 28 Cb -0.09 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.27 2yuu s PRO 28 CO 0.07 -3.84 1.06 0.99 0.04 0.00 0.00 177.00 175.33 2yuu s THR 29 N 10.81 3.95 -0.07 1.26 2.01 -1.24 -4.57 115.64 127.79 2yuu s THR 29 Ca 0.69 0.63 -0.22 0.00 0.31 0.00 0.00 61.69 63.10 2yuu s THR 29 Cb -0.02 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2yuu s THR 29 CO 0.10 -0.83 0.66 0.12 -0.69 0.00 0.00 174.62 173.98 2yuu s PHE 30 N -3.04 3.57 0.64 4.92 5.36 -1.26 -0.07 117.98 128.10 2yuu s PHE 30 Ca 0.58 1.18 -0.08 0.00 -0.96 0.00 0.00 56.93 57.66 2yuu s PHE 30 Cb -0.14 -2.75 0.01 0.00 -0.34 0.00 0.00 43.02 39.80 2yuu s PHE 30 CO 0.55 0.12 0.98 0.00 -1.46 0.00 0.00 175.22 175.41 2yuu n SER 32 N -2.76 2.48 0.11 0.00 2.88 -1.19 -3.59 113.62 111.57 2yuu n SER 32 Ca 0.05 -0.06 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 2yuu n SER 32 Cb 0.57 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 2yuu n SER 32 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2yuu h VAL 33 N 0.00 0.00 0.00 2.46 2.07 -1.92 -3.38 116.25 115.48 2yuu h VAL 33 Ca -0.36 -0.46 -0.20 0.00 0.82 0.00 0.00 66.70 66.50 2yuu h VAL 33 Cb 1.63 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2yuu h VAL 33 CO -0.03 0.00 -1.76 0.00 0.02 0.00 0.00 177.57 175.80 2yuu n LYS 35 N -2.78 -5.57 -5.24 0.00 4.01 -1.24 -4.99 118.16 102.35 2yuu n LYS 35 Ca -0.15 0.62 -0.31 0.00 -0.51 0.00 0.00 58.31 57.96 2yuu n LYS 35 Cb 0.90 -5.01 -0.16 0.00 -0.51 0.00 0.00 35.03 30.25 2yuu n LYS 35 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2yuu s ASP 36 N -3.53 3.16 -0.67 4.39 2.15 -1.26 -4.66 116.67 116.25 2yuu s ASP 36 Ca 0.27 -0.46 -0.24 0.00 0.43 0.00 0.00 52.55 52.55 2yuu s ASP 36 Cb -0.12 -0.65 -0.16 0.00 -0.30 0.00 0.00 42.92 41.69 2yuu s ASP 36 CO 0.54 0.28 1.89 0.49 -0.17 0.00 0.00 175.17 178.21 2yuu n PHE 37 N 2.70 0.47 -1.44 -5.34 3.72 -1.26 -4.02 117.46 112.29 2yuu n PHE 37 Ca -0.17 0.32 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 2yuu n PHE 37 Cb 0.52 -1.71 -0.04 0.00 -0.94 0.00 0.00 39.48 37.31 2yuu n PHE 37 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2yuu n VAL 38 N 5.31 2.40 -4.23 -4.37 0.31 0.89 -4.85 118.33 113.79 2yuu n VAL 38 Ca 0.47 -2.14 -0.17 0.00 -0.01 0.00 0.00 64.34 62.49 2yuu n VAL 38 Cb 0.01 -2.40 -0.14 0.00 -0.91 0.00 0.00 33.84 30.41 2yuu n VAL 38 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 2yuu s TRP 39 N 4.84 0.72 0.00 3.52 1.48 -1.26 -3.65 118.94 124.59 2yuu s TRP 39 Ca 0.55 -0.23 0.00 0.00 -1.06 0.00 0.00 56.10 55.36 2yuu s TRP 39 Cb 0.13 -0.45 0.00 0.00 -1.16 0.00 0.00 33.47 31.99 2yuu s TRP 39 CO 0.06 -0.02 0.00 0.41 -4.06 0.00 0.00 176.95 173.34 2yuu n GLY 40 N 2.48 3.88 2.62 3.67 0.00 -1.26 -5.00 105.19 111.58 2yuu n GLY 40 Ca -0.16 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2yuu n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yuu n LEU 41 N 0.00 6.82 -0.07 0.99 7.99 -1.26 -4.42 117.00 127.05 2yuu n LEU 41 Ca 0.00 -4.31 -0.10 0.00 -0.01 0.00 0.00 56.01 51.59 2yuu n LEU 41 Cb 0.00 -1.18 -0.03 0.00 -0.11 0.00 0.00 43.42 42.10 2yuu n LEU 41 CO 0.00 1.73 -0.66 0.59 -1.51 0.00 0.00 177.39 177.54 2yuu n ASN 42 N 0.40 1.73 -3.62 -1.43 4.13 -1.26 -5.08 115.26 110.13 2yuu n ASN 42 Ca 0.50 0.29 -0.01 0.00 1.68 0.00 0.00 54.58 57.04 2yuu n ASN 42 Cb 0.45 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 2yuu n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2yuu s LYS 43 N -2.66 0.31 0.41 3.52 2.47 -1.26 -5.15 119.74 117.37 2yuu s LYS 43 Ca -0.24 0.56 -0.18 0.00 -1.56 0.00 0.00 55.97 54.54 2yuu s LYS 43 Cb 0.05 0.10 -0.14 0.00 -1.46 0.00 0.00 37.83 36.37 2yuu s LYS 43 CO 0.35 -0.07 0.00 0.00 0.16 0.00 0.00 175.35 175.79 2yuu n GLN 44 N 3.73 0.00 0.00 4.03 10.64 -1.26 -4.87 117.38 129.65 2yuu n GLN 44 Ca -0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.00 2yuu n GLN 44 Cb 0.57 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 29.03 2yuu n GLN 44 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2yuu n GLY 45 N 2.21 1.34 3.06 2.61 0.00 -1.20 -4.67 105.19 108.53 2yuu n GLY 45 Ca 0.09 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.74 2yuu n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yuu s TYR 46 N 3.00 -0.14 -0.13 1.61 2.02 -0.68 -3.88 117.35 119.14 2yuu s TYR 46 Ca 0.00 0.33 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 2yuu s TYR 46 Cb 0.00 0.04 0.07 0.00 -0.40 0.00 0.00 41.96 41.67 2yuu s TYR 46 CO 0.00 -0.13 0.22 0.21 -1.57 0.00 0.00 175.55 174.28 2yuu s LYS 47 N -0.23 0.13 -0.29 -0.62 2.20 -1.21 -0.17 119.74 119.55 2yuu s LYS 47 Ca -0.03 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 55.85 2yuu s LYS 47 Cb -0.03 -0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 35.89 2yuu s LYS 47 CO 0.01 -0.38 1.68 0.00 -0.36 0.00 0.00 175.35 176.29 2yuu n ARG 49 N 8.07 0.46 -0.08 0.00 1.85 -1.26 0.13 116.66 125.83 2yuu n ARG 49 Ca 0.20 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.98 2yuu n ARG 49 Cb 0.46 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 2yuu n ARG 49 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2yuu n GLN 50 N -1.01 0.48 0.00 2.89 1.13 -1.26 -4.61 117.38 115.00 2yuu n GLN 50 Ca 0.11 0.25 0.12 0.00 -1.94 0.00 0.00 57.00 55.55 2yuu n GLN 50 Cb 0.05 -1.41 0.19 0.00 0.11 0.00 0.00 30.24 29.18 2yuu n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yuu n ASN 52 N 0.30 -3.53 -4.20 0.00 4.13 0.35 -4.98 115.26 107.33 2yuu n ASN 52 Ca 0.13 -0.73 -0.37 0.00 1.68 0.00 0.00 54.58 55.29 2yuu n ASN 52 Cb 0.47 -4.77 -0.12 0.00 -1.54 0.00 0.00 39.78 33.82 2yuu n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuu s ALA 53 N -3.45 3.04 -0.14 5.41 0.00 -1.18 -4.85 121.76 120.59 2yuu s ALA 53 Ca 0.18 -2.03 -0.21 0.00 0.00 0.00 0.00 51.96 49.90 2yuu s ALA 53 Cb -0.03 -2.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 2yuu s ALA 53 CO 0.76 -1.49 0.63 0.00 0.00 0.00 0.00 175.76 175.66 2yuu s ALA 54 N 1.29 3.46 0.22 0.00 0.00 -1.26 -2.06 121.76 123.41 2yuu s ALA 54 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2yuu s ALA 54 Cb -0.21 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2yuu s ALA 54 CO -0.00 -0.30 0.15 0.96 0.00 0.00 0.00 175.76 176.56 2yuu s ILE 55 N 1.30 0.02 0.30 0.00 -4.36 0.77 -3.14 121.20 116.09 2yuu s ILE 55 Ca 0.32 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.45 2yuu s ILE 55 Cb -0.16 -2.50 -0.10 0.00 1.25 0.00 0.00 42.46 40.95 2yuu s ILE 55 CO 0.13 0.00 0.91 -1.00 0.24 0.00 0.00 174.94 175.22 2yuu s HIS 56 N -4.06 3.70 0.59 1.37 3.76 -1.26 -1.69 115.29 117.70 2yuu s HIS 56 Ca 0.39 1.73 0.29 0.00 -0.15 0.00 0.00 55.06 57.33 2yuu s HIS 56 Cb 0.07 -2.88 1.33 0.00 1.11 0.00 0.00 32.58 32.20 2yuu s HIS 56 CO 0.14 0.24 1.71 -0.22 -0.85 0.00 0.00 174.74 175.76 2yuu h LYS 57 N 3.25 0.00 0.00 1.40 3.64 -1.85 0.80 116.57 123.81 2yuu h LYS 57 Ca -0.47 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.66 2yuu h LYS 57 Cb 1.19 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 2yuu h LYS 57 CO 0.65 0.00 -1.73 0.36 -2.27 0.00 0.00 179.45 176.46 2yuu n LYS 58 N -3.59 0.64 0.03 1.90 2.85 -1.26 -3.91 118.16 114.82 2yuu n LYS 58 Ca 0.14 0.21 0.07 0.00 -1.05 0.00 0.00 58.31 57.69 2yuu n LYS 58 Cb 0.98 -1.75 0.32 0.00 -0.65 0.00 0.00 35.03 33.93 2yuu n LYS 58 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2yuu h ILE 60 N 0.00 1.26 -0.07 0.00 2.10 -1.56 -1.44 117.51 117.81 2yuu h ILE 60 Ca 0.00 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.09 2yuu h ILE 60 Cb 0.23 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 36.32 2yuu h ILE 60 CO 0.00 0.34 0.00 0.47 -1.08 0.00 0.00 178.15 177.88 2yuu n ASP 61 N -4.28 0.68 -0.01 2.19 8.00 -1.10 -3.25 116.55 118.79 2yuu n ASP 61 Ca 0.07 -1.57 0.07 0.00 0.71 0.00 0.00 54.79 54.06 2yuu n ASP 61 Cb 0.20 -0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.15 2yuu n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2yuu n LYS 62 N -0.32 0.83 -1.65 -1.24 4.76 -0.60 -5.01 118.16 114.93 2yuu n LYS 62 Ca 0.14 -0.10 -0.40 0.00 -2.87 0.00 0.00 58.31 55.08 2yuu n LYS 62 Cb 0.17 -1.30 0.03 0.00 -1.84 0.00 0.00 35.03 32.08 2yuu n LYS 62 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2yuu n ILE 63 N -1.86 2.97 -3.59 -0.18 5.41 -0.84 -5.00 119.36 116.26 2yuu n ILE 63 Ca -0.02 -0.50 -0.28 0.00 1.00 0.00 0.00 62.75 62.96 2yuu n ILE 63 Cb 0.34 -1.31 -0.16 0.00 -0.71 0.00 0.00 39.64 37.80 2yuu n ILE 63 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2yuu s ILE 64 N -1.33 -0.00 -3.07 1.39 1.01 -1.26 -5.07 121.20 112.87 2yuu s ILE 64 Ca 0.67 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2yuu s ILE 64 Cb -0.49 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2yuu s ILE 64 CO 0.54 -0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2yuu n GLY 65 N 5.23 0.58 3.32 6.18 0.00 -1.26 -5.13 105.19 114.11 2yuu n GLY 65 Ca -0.06 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 2yuu n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yuu s ARG 66 N -2.00 1.53 -0.06 1.61 0.52 -1.26 -4.77 118.95 114.52 2yuu s ARG 66 Ca 0.00 -1.86 -0.25 0.00 -0.52 0.00 0.00 55.73 53.10 2yuu s ARG 66 Cb 0.00 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.36 2yuu s ARG 66 CO 0.00 -0.43 0.75 0.00 0.02 0.00 0.00 175.30 175.65 2yuu n THR 68 N 3.87 0.36 -2.43 0.00 5.66 -1.26 -4.18 114.28 116.30 2yuu n THR 68 Ca 0.00 -0.23 -0.41 0.00 -3.05 0.00 0.00 64.05 60.37 2yuu n THR 68 Cb 0.51 -0.25 0.03 0.00 -1.55 0.00 0.00 70.33 69.07 2yuu n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yuu n GLY 69 N 1.36 5.96 3.05 1.09 0.00 -1.26 -4.86 105.19 110.52 2yuu n GLY 69 Ca 0.04 -2.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.17 2yuu n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yuu s THR 70 N -4.57 3.76 -0.18 2.61 -4.23 -1.26 -4.51 115.64 107.26 2yuu s THR 70 Ca 0.43 -3.69 -0.30 0.00 -1.18 0.00 0.00 61.69 56.95 2yuu s THR 70 Cb 0.27 -3.40 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 2yuu s THR 70 CO -0.22 -1.00 2.16 0.00 -0.54 0.00 0.00 174.62 175.02 2yuu n ALA 71 N 2.60 1.61 -3.59 3.99 0.00 -1.26 -4.90 120.51 118.96 2yuu n ALA 71 Ca 0.16 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 2yuu n ALA 71 Cb 0.36 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 16.97 2yuu n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuu s ALA 72 N 7.30 -2.00 -1.03 0.00 0.00 -1.26 -5.09 121.76 119.68 2yuu s ALA 72 Ca 1.00 1.58 -0.12 0.00 0.00 0.00 0.00 51.96 54.42 2yuu s ALA 72 Cb -0.44 -0.57 0.23 0.00 0.00 0.00 0.00 23.12 22.35 2yuu s ALA 72 CO 0.39 -0.42 1.06 1.21 0.00 0.00 0.00 175.76 178.00 2yuu s ASN 73 N -1.57 7.07 0.54 0.00 2.47 -1.26 -5.03 114.94 117.15 2yuu s ASN 73 Ca 0.05 -3.12 -0.01 0.00 0.42 0.00 0.00 52.86 50.20 2yuu s ASN 73 Cb -0.01 -2.25 0.02 0.00 -1.45 0.00 0.00 41.25 37.56 2yuu s ASN 73 CO -0.04 -0.50 0.78 -0.55 -3.72 0.00 0.00 177.10 173.07 2yuu s SER 74 N 1.97 5.45 0.45 -4.21 0.15 -1.26 -5.02 113.70 111.23 2yuu s SER 74 Ca 0.29 0.21 -0.16 0.00 0.70 0.00 0.00 55.95 56.98 2yuu s SER 74 Cb -0.09 -1.21 -0.14 0.00 -1.71 0.00 0.00 66.02 62.88 2yuu s SER 74 CO -0.07 -1.03 -0.10 0.54 1.20 0.00 0.00 173.24 173.78 2yuu n ARG 75 N -2.33 0.00 -0.09 5.44 1.74 -1.26 -4.92 116.66 115.23 2yuu n ARG 75 Ca 0.05 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.91 2yuu n ARG 75 Cb 0.59 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 31.00 2yuu n ARG 75 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2yuu n ASP 76 N 2.25 2.00 -3.96 0.55 -0.08 -1.26 -4.99 116.55 111.07 2yuu n ASP 76 Ca 0.07 0.13 -0.36 0.00 -1.51 0.00 0.00 54.79 53.12 2yuu n ASP 76 Cb 0.42 -0.70 0.02 0.00 2.34 0.00 0.00 41.12 43.20 2yuu n ASP 76 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2yuu n THR 77 N -3.69 0.00 -3.86 5.18 5.66 -1.26 -4.98 114.28 111.33 2yuu n THR 77 Ca -0.42 -0.47 -0.04 0.00 -3.05 0.00 0.00 64.05 60.07 2yuu n THR 77 Cb 0.94 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.74 2yuu n THR 77 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2yuu s SER 78 N -0.95 -0.01 -0.43 1.09 0.01 -1.26 -5.11 113.70 107.04 2yuu s SER 78 Ca 0.49 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 57.09 2yuu s SER 78 Cb -0.38 0.56 0.26 0.00 0.21 0.00 0.00 66.02 66.66 2yuu s SER 78 CO 0.67 -1.10 0.72 0.61 0.41 0.00 0.00 173.24 174.55 2yuu n GLY 79 N -0.65 1.66 3.71 3.44 0.00 -1.26 -5.12 105.19 106.96 2yuu n GLY 79 Ca -0.04 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2yuu n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuu s PRO 80 N -0.44 4.32 -0.18 1.61 0.04 -1.26 -5.01 135.00 134.07 2yuu s PRO 80 Ca 0.33 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.36 2yuu s PRO 80 Cb 0.21 -3.33 0.07 0.00 0.04 0.00 0.00 34.50 31.49 2yuu s PRO 80 CO -0.16 -0.45 0.12 -1.12 0.04 0.00 0.00 177.00 175.43 2yuu s SER 81 N 1.28 2.10 0.03 6.66 0.01 -1.26 -5.13 113.70 117.38 2yuu s SER 81 Ca 0.64 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 2yuu s SER 81 Cb -0.35 -0.09 0.10 0.00 0.21 0.00 0.00 66.02 65.89 2yuu s SER 81 CO 0.29 -0.34 1.11 -0.44 0.41 0.00 0.00 173.24 174.27 2yuu s SER 82 N 2.19 -0.15 0.00 2.44 0.01 -1.26 -5.37 113.70 111.56 2yuu s SER 82 Ca 0.03 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2yuu s SER 82 Cb -0.16 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2yuu s SER 82 CO -0.10 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 173.61