#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 0.15 -0.27 1.61 0.01 -1.26 -5.17 113.70 108.77 2yuu s SER 2 Ca 0.00 -1.03 -0.27 0.00 1.31 0.00 0.00 55.95 55.96 2yuu s SER 2 Cb 0.00 0.38 0.17 0.00 0.21 0.00 0.00 66.02 66.78 2yuu s SER 2 CO 0.00 -0.83 1.27 -0.55 0.41 0.00 0.00 173.24 173.54 2yuu s SER 3 N -3.01 -0.18 0.00 2.44 0.15 -1.26 -5.19 113.70 106.65 2yuu s SER 3 Ca 0.21 0.29 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2yuu s SER 3 Cb 0.05 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2yuu s SER 3 CO 0.01 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2yuu n GLY 4 N 1.35 3.72 1.15 9.45 0.00 -1.26 -5.10 105.19 114.50 2yuu n GLY 4 Ca -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2yuu n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yuu n SER 5 N -0.99 0.14 -3.76 1.61 2.88 -1.26 -5.01 113.62 107.23 2yuu n SER 5 Ca 0.00 0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.31 2yuu n SER 5 Cb 0.00 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 2yuu n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yuu n SER 6 N -3.01 -0.08 -4.14 -3.46 3.41 -1.26 -4.80 113.62 100.28 2yuu n SER 6 Ca 0.00 -0.91 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 2yuu n SER 6 Cb 0.36 -1.14 0.09 0.00 -0.26 0.00 0.00 64.21 63.27 2yuu n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yuu n GLY 7 N -1.66 -2.88 3.59 5.00 0.00 -1.26 -5.03 105.19 102.95 2yuu n GLY 7 Ca -0.11 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2yuu n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuu s LYS 8 N -2.69 1.98 0.01 1.61 -2.85 -1.26 -5.13 119.74 111.42 2yuu s LYS 8 Ca 0.46 -1.62 -0.30 0.00 -1.00 0.00 0.00 55.97 53.51 2yuu s LYS 8 Cb -0.03 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.18 2yuu s LYS 8 CO 0.68 -0.86 1.57 -0.65 0.10 0.00 0.00 175.35 176.19 2yuu s GLN 9 N -2.92 4.22 0.04 1.78 -0.21 -1.26 -4.93 119.66 116.37 2yuu s GLN 9 Ca 0.25 2.17 -0.14 0.00 0.02 0.00 0.00 55.36 57.67 2yuu s GLN 9 Cb -0.02 -3.69 0.05 0.00 1.00 0.00 0.00 33.01 30.35 2yuu s GLN 9 CO 0.17 -0.71 0.63 0.00 -2.12 0.00 0.00 175.29 173.25 2yuu n ALA 10 N 5.94 -1.73 -2.53 6.09 0.00 -1.26 -5.06 120.51 121.96 2yuu n ALA 10 Ca 0.15 -0.48 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 2yuu n ALA 10 Cb 0.42 0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 2yuu n ALA 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2yuu s LYS 11 N -2.02 1.35 -0.13 0.00 0.00 -1.26 -5.04 119.74 112.64 2yuu s LYS 11 Ca 0.14 -1.53 -0.08 0.00 0.00 0.00 0.00 55.97 54.50 2yuu s LYS 11 Cb -0.01 0.34 -0.04 0.00 0.00 0.00 0.00 37.83 38.12 2yuu s LYS 11 CO 0.01 -0.49 0.16 0.42 0.00 0.00 0.00 175.35 175.45 2yuu s ILE 12 N -4.06 5.46 -0.44 3.79 1.01 -1.26 -3.72 121.20 121.98 2yuu s ILE 12 Ca 0.34 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 61.09 2yuu s ILE 12 Cb 0.04 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 39.12 2yuu s ILE 12 CO 0.12 0.58 0.35 -1.00 0.00 0.00 0.00 174.94 174.98 2yuu s HIS 13 N -0.74 3.25 -1.20 3.97 3.76 -0.46 -4.97 115.29 118.90 2yuu s HIS 13 Ca 0.14 -0.80 -0.08 0.00 -0.15 0.00 0.00 55.06 54.17 2yuu s HIS 13 Cb -0.12 -2.90 -0.11 0.00 1.11 0.00 0.00 32.58 30.56 2yuu s HIS 13 CO 0.04 -0.71 2.88 0.66 -0.85 0.00 0.00 174.74 176.76 2yuu n TYR 14 N 5.17 1.78 -3.59 1.40 4.01 -1.24 -3.37 117.16 121.32 2yuu n TYR 14 Ca -0.12 -2.57 -0.38 0.00 -0.16 0.00 0.00 57.90 54.67 2yuu n TYR 14 Cb 0.45 -2.16 -0.06 0.00 -0.31 0.00 0.00 39.34 37.26 2yuu n TYR 14 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2yuu s ILE 15 N 2.21 5.17 -0.52 -0.72 1.09 -1.23 -4.21 121.20 122.99 2yuu s ILE 15 Ca 0.63 0.67 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 2yuu s ILE 15 Cb 0.19 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.95 2yuu s ILE 15 CO -0.04 0.57 0.00 0.29 -0.10 0.00 0.00 174.94 175.66 2yuu n LYS 16 N 2.03 -2.08 -2.44 2.79 4.76 -1.26 0.16 118.16 122.11 2yuu n LYS 16 Ca -0.15 0.29 -0.06 0.00 -2.87 0.00 0.00 58.31 55.53 2yuu n LYS 16 Cb 0.53 -4.68 0.01 0.00 -1.84 0.00 0.00 35.03 29.05 2yuu n LYS 16 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2yuu n ASN 17 N -0.90 -2.70 -4.78 4.39 3.02 -1.26 -3.45 115.26 109.59 2yuu n ASN 17 Ca -0.06 -0.07 -0.26 0.00 -0.03 0.00 0.00 54.58 54.15 2yuu n ASN 17 Cb 0.42 -1.65 -0.06 0.00 -0.61 0.00 0.00 39.78 37.88 2yuu n ASN 17 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2yuu s HIS 18 N -2.68 2.26 -0.16 3.10 3.76 0.43 -4.06 115.29 117.95 2yuu s HIS 18 Ca 0.08 -0.71 0.14 0.00 -0.15 0.00 0.00 55.06 54.42 2yuu s HIS 18 Cb -0.03 -1.89 0.36 0.00 1.11 0.00 0.00 32.58 32.13 2yuu s HIS 18 CO 0.09 0.05 1.19 0.39 -0.85 0.00 0.00 174.74 175.61 2yuu n GLU 19 N -1.36 1.29 -1.22 1.40 4.71 -1.25 -3.54 120.64 120.68 2yuu n GLU 19 Ca -0.04 -2.88 -0.55 0.00 -0.01 0.00 0.00 57.16 53.67 2yuu n GLU 19 Cb 0.65 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.58 2yuu n GLU 19 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2yuu n PHE 20 N -1.03 1.16 -4.20 -0.32 3.72 -1.22 -4.30 117.46 111.27 2yuu n PHE 20 Ca 0.16 0.76 -0.34 0.00 -0.05 0.00 0.00 57.45 57.98 2yuu n PHE 20 Cb 0.71 -2.04 -0.10 0.00 -0.94 0.00 0.00 39.48 37.11 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 4.78 4.45 -0.11 4.37 1.01 0.45 -1.35 121.20 134.80 2yuu s ILE 21 Ca 1.05 -0.17 -0.35 0.00 0.00 0.00 0.00 60.65 61.18 2yuu s ILE 21 Cb -1.34 -2.95 -0.12 0.00 0.01 0.00 0.00 42.46 38.05 2yuu s ILE 21 CO 0.62 0.51 1.85 0.00 0.00 0.00 0.00 174.94 177.92 2yuu n ALA 22 N 3.13 0.72 -2.86 9.38 0.00 -1.24 -2.83 120.51 126.80 2yuu n ALA 22 Ca -0.17 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 2yuu n ALA 22 Cb 0.53 -2.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.45 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 3.85 0.11 -0.26 0.00 -1.32 -1.18 -4.94 115.64 111.90 2yuu s THR 23 Ca 0.93 -0.88 -0.06 0.00 -1.21 0.00 0.00 61.69 60.47 2yuu s THR 23 Cb -0.75 -0.95 -0.00 0.00 -1.51 0.00 0.00 72.50 69.29 2yuu s THR 23 CO 0.53 -0.48 0.04 0.12 -2.21 0.00 0.00 174.62 172.62 2yuu s PHE 24 N -2.66 3.08 -0.83 9.09 5.36 -1.26 -3.33 117.98 127.43 2yuu s PHE 24 Ca -0.04 -0.87 -0.15 0.00 -0.96 0.00 0.00 56.93 54.91 2yuu s PHE 24 Cb -0.01 -2.20 0.21 0.00 -0.34 0.00 0.00 43.02 40.68 2yuu s PHE 24 CO -0.04 -0.53 0.79 -0.06 -1.46 0.00 0.00 175.22 173.92 2yuu s PHE 25 N 1.51 3.68 0.66 10.12 0.40 -1.26 -4.89 117.98 128.20 2yuu s PHE 25 Ca 0.04 -1.91 0.30 0.00 -0.60 0.00 0.00 56.93 54.76 2yuu s PHE 25 Cb -0.16 -3.86 1.64 0.00 0.51 0.00 0.00 43.02 41.15 2yuu s PHE 25 CO 0.01 -1.04 1.94 0.78 0.70 0.00 0.00 175.22 177.61 2yuu h GLY 26 N 8.07 0.00 -4.03 4.36 0.00 -1.97 -3.41 103.07 106.10 2yuu h GLY 26 Ca 0.09 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.83 2yuu h GLY 26 CO 0.80 0.00 -0.59 1.20 0.00 0.00 0.00 176.54 177.95 2yuu s GLN 27 N -4.17 2.84 -0.86 4.80 -1.52 -1.26 -5.04 119.66 114.45 2yuu s GLN 27 Ca -0.04 -0.84 -0.25 0.00 -1.95 0.00 0.00 55.36 52.29 2yuu s GLN 27 Cb 0.10 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.20 2yuu s GLN 27 CO 0.31 0.51 1.94 -1.25 -0.25 0.00 0.00 175.29 176.55 2yuu s PRO 28 N -2.86 2.56 0.81 2.91 0.04 -1.26 -4.92 135.00 132.28 2yuu s PRO 28 Ca 0.30 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 2yuu s PRO 28 Cb -0.11 -4.97 0.08 0.00 0.04 0.00 0.00 34.50 29.54 2yuu s PRO 28 CO 0.22 -3.30 1.15 0.99 0.04 0.00 0.00 177.00 176.10 2yuu s THR 29 N 9.98 2.35 -0.44 1.26 2.01 -0.94 -4.90 115.64 124.97 2yuu s THR 29 Ca 0.70 0.11 -0.13 0.00 0.31 0.00 0.00 61.69 62.68 2yuu s THR 29 Cb -0.07 -3.04 0.06 0.00 0.01 0.00 0.00 72.50 69.46 2yuu s THR 29 CO 0.02 -0.15 0.32 0.12 -0.69 0.00 0.00 174.62 174.24 2yuu s PHE 30 N -3.44 3.27 1.01 4.92 5.36 -1.26 -4.02 117.98 123.82 2yuu s PHE 30 Ca 0.62 -1.05 -0.12 0.00 -0.96 0.00 0.00 56.93 55.42 2yuu s PHE 30 Cb -0.12 -2.93 0.17 0.00 -0.34 0.00 0.00 43.02 39.80 2yuu s PHE 30 CO 0.51 -0.76 0.94 0.00 -1.46 0.00 0.00 175.22 174.45 2yuu n SER 32 N -3.92 1.31 0.00 0.00 2.88 -1.13 -3.59 113.62 109.16 2yuu n SER 32 Ca 0.08 -0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2yuu n SER 32 Cb 0.53 0.62 -0.00 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.93 -3.40 116.25 115.45 2yuu h VAL 33 Ca -0.45 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 2yuu h VAL 33 Cb 1.94 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2yuu h VAL 33 CO 0.00 0.00 -1.19 0.00 0.02 0.00 0.00 177.57 176.40 2yuu n LYS 35 N -3.16 -3.21 -2.51 0.00 5.02 -1.24 -5.00 118.16 108.06 2yuu n LYS 35 Ca -0.06 0.60 -0.12 0.00 -2.02 0.00 0.00 58.31 56.71 2yuu n LYS 35 Cb 0.92 -4.69 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 2yuu n LYS 35 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2yuu n ASP 36 N -2.58 1.73 -0.00 4.39 9.92 -1.26 -4.74 116.55 124.00 2yuu n ASP 36 Ca -0.13 -1.85 -0.10 0.00 -0.53 0.00 0.00 54.79 52.18 2yuu n ASP 36 Cb 0.60 -0.03 0.04 0.00 -0.64 0.00 0.00 41.12 41.09 2yuu n ASP 36 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2yuu h PHE 37 N 0.53 0.75 -4.04 1.24 0.04 -1.93 -3.07 116.94 110.46 2yuu h PHE 37 Ca -0.16 -0.27 -0.27 0.00 2.80 0.00 0.00 57.97 60.08 2yuu h PHE 37 Cb 0.58 -0.14 0.08 0.00 2.20 0.00 0.00 35.95 38.67 2yuu h PHE 37 CO 0.00 1.02 -0.44 0.28 -0.60 0.00 0.00 178.31 178.57 2yuu n VAL 38 N -3.96 -1.88 -2.62 -0.55 0.31 -1.26 -2.21 118.33 106.16 2yuu n VAL 38 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 2yuu n VAL 38 Cb 0.62 -3.08 0.04 0.00 -0.91 0.00 0.00 33.84 30.51 2yuu n VAL 38 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 2yuu n TRP 39 N -4.15 1.61 -0.82 3.52 4.27 -1.26 -4.53 117.44 116.08 2yuu n TRP 39 Ca -0.01 -2.13 0.00 0.00 -3.89 0.00 0.00 57.50 51.48 2yuu n TRP 39 Cb 0.55 -0.26 0.00 0.00 -1.36 0.00 0.00 31.31 30.24 2yuu n TRP 39 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2yuu n GLY 40 N -0.61 1.43 3.45 -1.67 0.00 -1.26 -4.99 105.19 101.54 2yuu n GLY 40 Ca 0.16 -1.79 -0.48 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.48 -4.50 0.99 7.99 -1.26 -4.47 117.00 115.27 2yuu n LEU 41 Ca 0.00 1.14 -0.29 0.00 -0.01 0.00 0.00 56.01 56.86 2yuu n LEU 41 Cb 0.00 -1.02 -0.19 0.00 -0.11 0.00 0.00 43.42 42.09 2yuu n LEU 41 CO 0.00 -2.55 2.11 0.59 -1.51 0.00 0.00 177.39 176.03 2yuu n ASN 42 N 1.82 -0.70 -3.46 -1.43 3.02 -1.26 -4.81 115.26 108.45 2yuu n ASN 42 Ca 0.16 -0.33 -0.19 0.00 -0.03 0.00 0.00 54.58 54.20 2yuu n ASN 42 Cb 0.25 -0.72 -0.12 0.00 -0.61 0.00 0.00 39.78 38.58 2yuu n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2yuu s LYS 43 N 7.78 0.24 0.74 3.52 -0.14 -1.26 -5.14 119.74 125.47 2yuu s LYS 43 Ca 1.32 0.00 -0.16 0.00 -1.36 0.00 0.00 55.97 55.77 2yuu s LYS 43 Cb -0.96 -0.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.21 2yuu s LYS 43 CO 0.52 -0.83 0.89 0.94 -0.76 0.00 0.00 175.35 176.11 2yuu n GLN 44 N 5.31 0.41 -2.35 1.68 0.00 -1.26 -4.96 117.38 116.21 2yuu n GLN 44 Ca -0.04 0.20 -0.04 0.00 -0.00 0.00 0.00 57.00 57.11 2yuu n GLN 44 Cb 0.48 -2.15 -0.01 0.00 0.00 0.00 0.00 30.24 28.55 2yuu n GLN 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2yuu n GLY 45 N 1.16 4.11 3.32 1.69 0.00 -1.21 -4.34 105.19 109.92 2yuu n GLY 45 Ca 0.12 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.26 2.05 -0.10 1.61 2.02 -0.31 -3.08 117.35 118.28 2yuu s TYR 46 Ca 0.00 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.25 2yuu s TYR 46 Cb 0.00 -1.17 0.04 0.00 -0.40 0.00 0.00 41.96 40.43 2yuu s TYR 46 CO 0.00 0.19 0.25 0.21 -1.57 0.00 0.00 175.55 174.63 2yuu s LYS 47 N -1.59 0.22 -0.24 -0.62 2.20 -1.13 0.00 119.74 118.59 2yuu s LYS 47 Ca 0.10 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 55.93 2yuu s LYS 47 Cb -0.10 -0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.15 2yuu s LYS 47 CO 0.03 -0.15 1.04 0.00 -0.36 0.00 0.00 175.35 175.92 2yuu n ARG 49 N 6.38 0.78 -0.01 0.00 1.85 -1.26 -0.38 116.66 124.02 2yuu n ARG 49 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.95 2yuu n ARG 49 Cb 0.46 -1.02 -0.01 0.00 -1.05 0.00 0.00 32.46 30.85 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 -0.52 0.10 0.05 2.89 6.02 -1.26 -4.78 117.38 119.88 2yuu n GLN 50 Ca 0.01 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 2yuu n GLN 50 Cb 0.00 -0.52 0.10 0.00 1.02 0.00 0.00 30.24 30.84 2yuu n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2yuu n ASN 52 N -2.11 -2.36 -4.21 0.00 3.02 0.49 -4.92 115.26 105.18 2yuu n ASN 52 Ca 0.02 -0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 53.91 2yuu n ASN 52 Cb 0.45 -2.39 -0.08 0.00 -0.61 0.00 0.00 39.78 37.15 2yuu n ASN 52 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yuu s ALA 53 N -3.15 3.48 -0.13 5.41 0.00 -1.24 -4.82 121.76 121.31 2yuu s ALA 53 Ca 0.03 -2.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.05 2yuu s ALA 53 Cb -0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2yuu s ALA 53 CO 0.30 -1.96 0.81 0.00 0.00 0.00 0.00 175.76 174.90 2yuu s ALA 54 N 1.10 3.45 0.31 0.00 0.00 -1.26 -2.76 121.76 122.59 2yuu s ALA 54 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.18 2yuu s ALA 54 Cb -0.24 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2yuu s ALA 54 CO -0.02 -0.49 0.22 0.96 0.00 0.00 0.00 175.76 176.43 2yuu s ILE 55 N 1.74 0.12 0.46 0.00 -4.36 0.10 -2.84 121.20 116.42 2yuu s ILE 55 Ca 0.39 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.67 2yuu s ILE 55 Cb -0.17 -2.48 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 2yuu s ILE 55 CO 0.15 0.00 0.85 -1.00 0.24 0.00 0.00 174.94 175.18 2yuu s HIS 56 N -3.57 3.49 0.60 1.37 3.76 -1.26 -1.16 115.29 118.52 2yuu s HIS 56 Ca 0.38 1.14 0.30 0.00 -0.15 0.00 0.00 55.06 56.73 2yuu s HIS 56 Cb 0.04 -2.54 1.76 0.00 1.11 0.00 0.00 32.58 32.95 2yuu s HIS 56 CO 0.22 -0.25 2.16 -0.22 -0.85 0.00 0.00 174.74 175.80 2yuu h LYS 57 N 0.89 0.00 0.01 1.40 3.64 -1.91 -1.42 116.57 119.19 2yuu h LYS 57 Ca -0.47 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 58.58 2yuu h LYS 57 Cb 1.19 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 2yuu h LYS 57 CO 0.63 0.00 -2.05 0.36 -2.27 0.00 0.00 179.45 176.12 2yuu n LYS 58 N -3.74 0.67 0.25 1.90 2.85 -1.26 -4.07 118.16 114.76 2yuu n LYS 58 Ca -0.00 0.17 0.17 0.00 -1.05 0.00 0.00 58.31 57.60 2yuu n LYS 58 Cb 0.23 -1.66 0.86 0.00 -0.65 0.00 0.00 35.03 33.80 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 1.01 0.00 0.00 2.10 -1.62 0.16 117.51 119.16 2yuu h ILE 60 Ca 0.00 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.66 2yuu h ILE 60 Cb 0.12 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 35.98 2yuu h ILE 60 CO 0.00 0.15 0.00 0.47 -1.08 0.00 0.00 178.15 177.69 2yuu n ASP 61 N -4.71 0.00 -0.13 2.19 8.00 -0.98 -3.34 116.55 117.58 2yuu n ASP 61 Ca 0.10 -1.05 -0.18 0.00 0.71 0.00 0.00 54.79 54.37 2yuu n ASP 61 Cb 0.17 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 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 -0.95 0.65 -0.92 -1.24 4.76 0.43 -5.01 118.16 115.89 2yuu n LYS 62 Ca 0.20 0.15 -0.29 0.00 -2.87 0.00 0.00 58.31 55.51 2yuu n LYS 62 Cb 0.09 -1.53 0.01 0.00 -1.84 0.00 0.00 35.03 31.77 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 -3.26 0.00 0.00 -0.18 5.41 -0.44 -4.93 119.36 115.96 2yuu n ILE 63 Ca -0.45 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 62.93 2yuu n ILE 63 Cb 0.99 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.92 2yuu n ILE 63 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yuu n ILE 64 N -1.15 0.00 -0.77 1.39 5.41 -1.26 -5.07 119.36 117.91 2yuu n ILE 64 Ca 0.06 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.50 2yuu n ILE 64 Cb 0.35 -0.44 0.27 0.00 -0.71 0.00 0.00 39.64 39.11 2yuu n ILE 64 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2yuu s GLY 65 N -3.93 1.51 0.47 7.39 0.00 -1.26 -5.07 107.32 106.43 2yuu s GLY 65 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.80 2yuu s GLY 65 CO 0.00 -0.01 0.31 0.50 0.00 0.00 0.00 173.10 173.90 2yuu s ARG 66 N -5.35 2.31 0.06 2.90 0.52 -1.26 -4.89 118.95 113.24 2yuu s ARG 66 Ca 0.71 -1.87 -0.23 0.00 -0.52 0.00 0.00 55.73 53.82 2yuu s ARG 66 Cb -0.10 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.21 2yuu s ARG 66 CO 0.56 -0.35 0.70 0.00 0.02 0.00 0.00 175.30 176.24 2yuu h THR 68 N 3.89 1.05 0.00 0.00 1.03 -1.97 -3.49 112.91 113.42 2yuu h THR 68 Ca -0.46 -2.34 0.00 0.00 -0.01 0.00 0.00 66.41 63.60 2yuu h THR 68 Cb 1.21 2.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.94 2yuu h THR 68 CO 0.69 0.62 0.00 0.61 -0.01 0.00 0.00 175.52 177.42 2yuu n GLY 69 N 1.67 0.81 3.89 2.99 0.00 -1.26 -5.06 105.19 108.23 2yuu n GLY 69 Ca -0.26 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 0.00 3.04 -0.05 2.61 -4.23 -1.26 -0.96 115.64 114.79 2yuu s THR 70 Ca 0.00 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.06 2yuu s THR 70 Cb 0.00 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.79 2yuu s THR 70 CO 0.00 -0.06 0.35 0.00 -0.54 0.00 0.00 174.62 174.37 2yuu s ALA 71 N -2.39 -0.88 0.24 3.99 0.00 -1.26 -4.91 121.76 116.54 2yuu s ALA 71 Ca 0.47 0.59 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 2yuu s ALA 71 Cb -0.05 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.98 2yuu s ALA 71 CO 0.28 -0.24 0.83 0.00 0.00 0.00 0.00 175.76 176.62 2yuu s ALA 72 N -0.88 -1.36 -0.20 0.00 0.00 -1.26 -5.09 121.76 112.96 2yuu s ALA 72 Ca -0.10 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2yuu s ALA 72 Cb -0.04 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.75 2yuu s ALA 72 CO 0.04 -1.04 -0.30 -1.71 0.00 0.00 0.00 175.76 172.75 2yuu n ASN 73 N -0.55 1.71 -3.36 0.00 5.15 -1.26 -4.90 115.26 112.04 2yuu n ASN 73 Ca -0.05 0.29 -0.31 0.00 -0.60 0.00 0.00 54.58 53.91 2yuu n ASN 73 Cb 0.60 -0.69 0.02 0.00 -0.53 0.00 0.00 39.78 39.18 2yuu n ASN 73 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2yuu n SER 74 N -4.14 -3.55 -4.36 1.20 2.88 -1.26 -4.53 113.62 99.85 2yuu n SER 74 Ca -0.34 0.41 -0.60 0.00 -1.33 0.00 0.00 58.87 57.00 2yuu n SER 74 Cb 0.69 -0.66 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 2yuu n SER 74 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2yuu n ARG 75 N 1.46 0.00 -3.96 -1.46 1.85 -1.26 -4.92 116.66 108.37 2yuu n ARG 75 Ca 0.04 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.80 2yuu n ARG 75 Cb 0.40 -1.41 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 2yuu n ARG 75 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2yuu s ASP 76 N 1.63 -0.12 -0.10 2.89 1.47 -1.26 -5.03 116.67 116.14 2yuu s ASP 76 Ca 0.93 -0.86 -0.01 0.00 1.18 0.00 0.00 52.55 53.79 2yuu s ASP 76 Cb -1.32 0.60 0.02 0.00 -0.34 0.00 0.00 42.92 41.88 2yuu s ASP 76 CO 0.67 -1.15 2.27 1.07 0.68 0.00 0.00 175.17 178.71 2yuu n THR 77 N -0.38 2.40 -4.12 2.11 5.66 -1.26 -4.82 114.28 113.86 2yuu n THR 77 Ca -0.03 -1.06 -0.12 0.00 -3.05 0.00 0.00 64.05 59.80 2yuu n THR 77 Cb 0.62 -1.53 -0.07 0.00 -1.55 0.00 0.00 70.33 67.79 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 1.46 0.30 -0.38 1.09 0.01 -1.26 -5.11 113.70 109.81 2yuu s SER 78 Ca 0.20 -1.28 0.10 0.00 1.31 0.00 0.00 55.95 56.29 2yuu s SER 78 Cb 0.12 0.51 0.31 0.00 0.21 0.00 0.00 66.02 67.17 2yuu s SER 78 CO -0.01 -1.03 0.65 0.61 0.41 0.00 0.00 173.24 173.86 2yuu n GLY 79 N -0.38 3.24 3.76 3.44 0.00 -1.26 -5.12 105.19 108.87 2yuu n GLY 79 Ca 0.01 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.85 4.46 -0.99 1.61 0.04 -1.26 -4.91 135.00 132.10 2yuu s PRO 80 Ca 0.38 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 63.24 2yuu s PRO 80 Cb 0.27 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.64 2yuu s PRO 80 CO -0.09 -0.04 1.94 -1.12 0.04 0.00 0.00 177.00 177.72 2yuu s SER 81 N -0.61 5.13 0.22 6.66 0.01 -1.26 -4.89 113.70 118.95 2yuu s SER 81 Ca 0.47 -0.99 0.02 0.00 1.31 0.00 0.00 55.95 56.77 2yuu s SER 81 Cb -0.37 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.24 2yuu s SER 81 CO 0.48 -2.82 0.02 -0.55 0.41 0.00 0.00 173.24 170.78 2yuu s SER 82 N 7.53 1.42 0.00 2.44 0.15 -1.26 -5.26 113.70 118.72 2yuu s SER 82 Ca 0.69 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 56.10 2yuu s SER 82 Cb -0.05 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2yuu s SER 82 CO 0.03 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.49