#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cds s GLN 2 N 0.00 0.45 0.14 3.23 -0.21 -1.26 -3.65 119.66 118.36 1cds s GLN 2 Ca 0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 1cds s GLN 2 Cb 0.00 0.02 -0.02 0.00 1.00 0.00 0.00 33.01 34.01 1cds s GLN 2 CO 0.00 -0.04 0.19 0.00 -2.12 0.00 0.00 175.29 173.32 1cds n TYR 4 N -0.14 2.52 -1.36 0.00 4.01 -1.26 -2.06 117.16 118.86 1cds n TYR 4 Ca -0.08 -2.81 -0.40 0.00 -0.16 0.00 0.00 57.90 54.45 1cds n TYR 4 Cb 0.63 -1.90 0.01 0.00 -0.31 0.00 0.00 39.34 37.78 1cds n TYR 4 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1cds n ASN 5 N 1.92 -2.15 -3.61 7.72 4.05 -1.26 -4.61 115.26 117.31 1cds n ASN 5 Ca 0.64 0.78 -0.14 0.00 0.45 0.00 0.00 54.58 56.31 1cds n ASN 5 Cb 0.26 -1.00 -0.07 0.00 1.23 0.00 0.00 39.78 40.20 1cds n ASN 5 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1cds n PRO 7 N 2.27 0.05 -4.17 0.00 -0.04 -1.26 -4.83 135.00 127.01 1cds n PRO 7 Ca -0.15 0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.25 1cds n PRO 7 Cb 0.56 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 1cds n PRO 7 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1cds s ASN 8 N -3.28 1.28 -1.22 3.54 0.02 -1.26 -5.06 114.94 108.95 1cds s ASN 8 Ca 0.13 -0.93 -0.20 0.00 -1.02 0.00 0.00 52.86 50.84 1cds s ASN 8 Cb 0.17 0.06 0.03 0.00 0.02 0.00 0.00 41.25 41.52 1cds s ASN 8 CO 0.52 -0.38 1.75 -2.16 0.02 0.00 0.00 177.10 176.85 1cds s PRO 9 N -3.41 3.54 0.32 -0.60 0.04 -1.26 -4.81 135.00 128.81 1cds s PRO 9 Ca 0.09 -1.62 0.08 0.00 0.04 0.00 0.00 61.00 59.59 1cds s PRO 9 Cb 0.02 -5.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 1cds s PRO 9 CO -0.03 -2.69 0.16 -0.08 0.04 0.00 0.00 177.00 174.41 1cds s THR 10 N 6.11 3.32 -0.44 1.26 -1.32 -1.24 -4.32 115.64 119.01 1cds s THR 10 Ca 0.57 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.47 1cds s THR 10 Cb 0.02 -3.05 0.47 0.00 -1.51 0.00 0.00 72.50 68.43 1cds s THR 10 CO 0.06 -0.22 1.57 0.00 -2.21 0.00 0.00 174.62 173.83 1cds n ALA 11 N -1.17 5.46 -2.56 11.08 0.00 -1.26 -4.34 120.51 127.72 1cds n ALA 11 Ca -0.04 -3.57 -0.01 0.00 0.00 0.00 0.00 53.44 49.83 1cds n ALA 11 Cb 0.60 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.11 1cds n ALA 11 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cds n ASP 12 N -0.86 -0.45 -4.81 0.00 8.00 -1.26 -4.88 116.55 112.29 1cds n ASP 12 Ca 0.50 -1.31 -0.34 0.00 0.71 0.00 0.00 54.79 54.36 1cds n ASP 12 Cb 0.88 0.31 -0.06 0.00 -0.02 0.00 0.00 41.12 42.23 1cds n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cds n LYS 14 N -0.55 1.68 0.17 0.00 2.85 -1.26 -4.86 118.16 116.18 1cds n LYS 14 Ca 0.07 -3.49 0.03 0.00 -1.05 0.00 0.00 58.31 53.86 1cds n LYS 14 Cb 0.53 -1.52 0.26 0.00 -0.65 0.00 0.00 35.03 33.66 1cds n LYS 14 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1cds h THR 15 N 3.96 1.08 -6.23 0.58 2.02 -1.82 -3.48 112.91 109.01 1cds h THR 15 Ca -0.06 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1cds h THR 15 Cb 1.22 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.66 1cds h THR 15 CO 0.41 0.46 -0.73 0.00 0.37 0.00 0.00 175.52 176.03 1cds n ALA 16 N -2.34 -1.82 -2.79 6.16 0.00 -1.23 -4.89 120.51 113.61 1cds n ALA 16 Ca -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1cds n ALA 16 Cb 0.56 -0.60 -0.13 0.00 0.00 0.00 0.00 19.45 19.28 1cds n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cds s VAL 17 N -0.74 0.54 -0.76 0.00 1.01 -0.87 -4.96 120.40 114.62 1cds s VAL 17 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1cds s VAL 17 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1cds s VAL 17 CO 0.05 -0.11 1.48 0.20 0.00 0.00 0.00 175.10 176.72 1cds s ASN 18 N -0.86 5.94 -0.71 3.32 0.01 -1.26 -2.54 114.94 118.84 1cds s ASN 18 Ca -0.03 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.40 1cds s ASN 18 Cb -0.06 -2.55 -0.15 0.00 0.41 0.00 0.00 41.25 38.89 1cds s ASN 18 CO 0.00 -1.97 2.51 0.00 -1.51 0.00 0.00 177.10 176.14 1cds n SER 20 N 12.30 3.25 0.00 0.00 2.88 -1.26 -4.68 113.62 126.12 1cds n SER 20 Ca 0.52 -3.28 0.00 0.00 -1.33 0.00 0.00 58.87 54.78 1cds n SER 20 Cb 0.24 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1cds n SER 20 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cds n SER 21 N 1.64 0.00 -2.96 -3.46 2.88 -1.26 -4.98 113.62 105.48 1cds n SER 21 Ca 0.23 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 1cds n SER 21 Cb 0.37 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1cds n SER 21 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1cds n ASP 22 N 0.00 -2.64 -3.86 -3.46 9.92 -1.26 -5.02 116.55 110.22 1cds n ASP 22 Ca 0.00 -0.51 -0.16 0.00 -0.53 0.00 0.00 54.79 53.59 1cds n ASP 22 Cb 0.00 -4.25 -0.15 0.00 -0.64 0.00 0.00 41.12 36.07 1cds n ASP 22 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1cds s PHE 23 N -3.29 0.30 0.00 1.24 0.08 -1.26 -4.63 117.98 110.41 1cds s PHE 23 Ca 0.06 -0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.09 1cds s PHE 23 Cb -0.01 -0.31 0.00 0.00 -0.57 0.00 0.00 43.02 42.14 1cds s PHE 23 CO 0.59 -0.07 0.56 -3.47 -0.10 0.00 0.00 175.22 172.73 1cds n ASP 24 N 3.63 0.00 -3.64 1.36 2.03 -1.11 -4.95 116.55 113.88 1cds n ASP 24 Ca -0.21 -1.31 -0.05 0.00 0.52 0.00 0.00 54.79 53.74 1cds n ASP 24 Cb 0.54 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 40.81 1cds n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cds s ALA 25 N 0.00 -2.07 0.48 -1.67 0.00 0.71 -4.58 121.76 114.64 1cds s ALA 25 Ca 0.00 2.32 -0.21 0.00 0.00 0.00 0.00 51.96 54.07 1cds s ALA 25 Cb 0.00 -1.56 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 1cds s ALA 25 CO 0.00 -0.36 1.09 0.00 0.00 0.00 0.00 175.76 176.49 1cds s LEU 27 N -3.36 1.83 -0.48 0.00 2.96 -0.84 -1.06 118.68 117.72 1cds s LEU 27 Ca 0.67 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 54.14 1cds s LEU 27 Cb -0.22 -1.19 0.12 0.00 0.50 0.00 0.00 46.19 45.41 1cds s LEU 27 CO 0.26 0.03 0.21 -0.51 -1.32 0.00 0.00 176.35 175.02 1cds s ILE 28 N 0.95 2.53 -0.13 6.68 1.10 -1.00 -3.30 121.20 128.03 1cds s ILE 28 Ca -0.07 -3.10 -0.08 0.00 -0.51 0.00 0.00 60.65 56.89 1cds s ILE 28 Cb -0.15 -2.78 -0.04 0.00 0.15 0.00 0.00 42.46 39.63 1cds s ILE 28 CO -0.02 -0.75 0.17 -0.89 -2.11 0.00 0.00 174.94 171.34 1cds s THR 29 N -0.02 5.44 -0.43 4.00 2.01 -1.18 -2.13 115.64 123.33 1cds s THR 29 Ca 0.16 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1cds s THR 29 Cb -0.24 -3.45 0.13 0.00 0.01 0.00 0.00 72.50 68.95 1cds s THR 29 CO -0.02 0.57 0.22 -0.75 -0.69 0.00 0.00 174.62 173.95 1cds s LYS 30 N -0.72 1.35 -1.46 4.92 2.20 -1.24 -0.79 119.74 124.00 1cds s LYS 30 Ca 0.15 -2.00 -0.09 0.00 -0.36 0.00 0.00 55.97 53.66 1cds s LYS 30 Cb -0.12 -2.50 0.03 0.00 -1.51 0.00 0.00 37.83 33.73 1cds s LYS 30 CO 0.04 -1.12 2.49 0.00 -0.36 0.00 0.00 175.35 176.40 1cds n ALA 31 N 3.64 6.64 0.00 3.13 0.00 -0.78 -3.60 120.51 129.54 1cds n ALA 31 Ca 0.07 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1cds n ALA 31 Cb 0.35 -3.17 0.00 0.00 0.00 0.00 0.00 19.45 16.63 1cds n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cds n GLY 32 N 3.02 1.11 1.19 0.00 0.00 -1.26 -4.03 105.19 105.23 1cds n GLY 32 Ca 0.63 -0.74 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1cds n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cds n LEU 33 N 0.00 4.44 -4.07 0.99 4.32 -1.26 -4.94 117.00 116.47 1cds n LEU 33 Ca 0.00 -3.16 -0.27 0.00 -0.02 0.00 0.00 56.01 52.56 1cds n LEU 33 Cb 0.00 -0.60 -0.17 0.00 -1.62 0.00 0.00 43.42 41.03 1cds n LEU 33 CO 0.00 0.78 -0.49 -1.10 -1.22 0.00 0.00 177.39 175.35 1cds s GLN 34 N -2.92 2.09 0.13 3.23 -0.21 -1.26 -5.02 119.66 115.71 1cds s GLN 34 Ca 0.46 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.31 1cds s GLN 34 Cb 0.37 -1.69 -0.04 0.00 1.00 0.00 0.00 33.01 32.66 1cds s GLN 34 CO 0.09 0.05 0.25 0.08 -2.12 0.00 0.00 175.29 173.64 1cds s VAL 35 N 0.64 5.28 -0.28 1.09 1.01 -1.26 -1.86 120.40 125.02 1cds s VAL 35 Ca -0.14 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1cds s VAL 35 Cb -0.16 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.63 1cds s VAL 35 CO 0.04 -0.03 0.07 -0.31 0.00 0.00 0.00 175.10 174.87 1cds s TYR 36 N -1.68 1.51 -0.40 5.22 1.51 0.03 -3.67 117.35 119.88 1cds s TYR 36 Ca 0.34 -1.48 -0.18 0.00 -1.01 0.00 0.00 57.07 54.74 1cds s TYR 36 Cb -0.11 -1.49 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1cds s TYR 36 CO 0.28 -0.80 0.52 -0.80 -1.11 0.00 0.00 175.55 173.63 1cds s ASN 37 N 1.69 6.27 0.08 2.29 0.01 -1.26 -3.09 114.94 120.93 1cds s ASN 37 Ca 0.06 -0.32 -0.15 0.00 -0.71 0.00 0.00 52.86 51.74 1cds s ASN 37 Cb -0.17 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.25 1cds s ASN 37 CO -0.21 -0.59 0.35 -0.54 -1.51 0.00 0.00 177.10 174.61 1cds s LYS 38 N 2.42 0.93 -0.43 -0.60 1.02 -1.21 -3.75 119.74 118.12 1cds s LYS 38 Ca 0.17 -0.59 -0.26 0.00 0.02 0.00 0.00 55.97 55.31 1cds s LYS 38 Cb -0.16 0.41 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1cds s LYS 38 CO 0.15 -0.33 0.97 0.00 -0.92 0.00 0.00 175.35 175.21 1cds s TRP 40 N 3.77 2.60 0.41 0.00 -0.11 0.13 -4.86 118.94 120.87 1cds s TRP 40 Ca 0.40 -0.59 0.08 0.00 1.22 0.00 0.00 56.10 57.20 1cds s TRP 40 Cb -0.10 -1.93 -0.03 0.00 -1.50 0.00 0.00 33.47 29.91 1cds s TRP 40 CO 0.24 0.22 0.33 0.15 -4.62 0.00 0.00 176.95 173.28 1cds s LYS 41 N -3.88 2.50 0.06 5.86 1.02 -1.26 -0.20 119.74 123.83 1cds s LYS 41 Ca 0.40 -1.56 -0.01 0.00 0.02 0.00 0.00 55.97 54.82 1cds s LYS 41 Cb 0.05 -2.32 -0.27 0.00 -0.52 0.00 0.00 37.83 34.77 1cds s LYS 41 CO 0.22 -0.15 1.06 0.35 -0.92 0.00 0.00 175.35 175.92 1cds h PHE 42 N 1.13 0.36 0.00 3.18 3.57 -1.89 -3.20 116.94 120.09 1cds h PHE 42 Ca -0.42 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 60.82 1cds h PHE 42 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1cds h PHE 42 CO 0.54 1.24 0.00 1.49 -2.23 0.00 0.00 178.31 179.35 1cds h GLU 43 N 0.05 0.00 -0.63 1.11 4.81 -1.97 -2.31 114.58 115.64 1cds h GLU 43 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1cds h GLU 43 Cb 1.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1cds h GLU 43 CO 0.17 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.17 1cds n HIS 44 N -2.70 0.84 -3.48 0.92 8.25 -1.21 -4.72 115.22 113.12 1cds n HIS 44 Ca 0.02 -0.42 -0.43 0.00 -0.26 0.00 0.00 57.72 56.63 1cds n HIS 44 Cb 0.31 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 1cds n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cds n ASN 46 N 3.77 0.78 -2.50 0.00 0.23 -1.26 -4.96 115.26 111.32 1cds n ASN 46 Ca 0.12 -2.04 -0.12 0.00 -0.53 0.00 0.00 54.58 52.00 1cds n ASN 46 Cb 0.43 -0.20 -0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1cds n ASN 46 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1cds n PHE 47 N -0.44 -1.47 0.00 -2.53 7.35 -1.26 -4.46 117.46 114.65 1cds n PHE 47 Ca 0.00 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1cds n PHE 47 Cb 0.89 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 38.03 1cds n PHE 47 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1cds n ASN 48 N -1.82 0.00 0.17 -2.13 5.15 -1.26 -4.78 115.26 110.59 1cds n ASN 48 Ca -0.13 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 53.99 1cds n ASN 48 Cb 0.60 0.25 0.55 0.00 -0.53 0.00 0.00 39.78 40.65 1cds n ASN 48 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1cds h ASP 49 N 0.00 0.00 0.09 1.20 5.19 -1.78 -1.57 116.42 119.55 1cds h ASP 49 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1cds h ASP 49 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1cds h ASP 49 CO 0.00 0.00 -2.20 0.52 -3.12 0.00 0.00 179.24 174.44 1cds n VAL 50 N -2.50 1.64 0.43 -1.35 0.31 -1.23 -2.66 118.33 112.97 1cds n VAL 50 Ca 0.02 -0.63 0.13 0.00 -0.01 0.00 0.00 64.34 63.84 1cds n VAL 50 Cb 0.26 -1.53 0.47 0.00 -0.91 0.00 0.00 33.84 32.13 1cds n VAL 50 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1cds h THR 51 N 0.04 0.00 0.03 2.52 1.35 -1.83 -1.89 112.91 113.13 1cds h THR 51 Ca -0.49 -0.42 -0.38 0.00 -0.55 0.00 0.00 66.41 64.57 1cds h THR 51 Cb 1.99 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 69.65 1cds h THR 51 CO 0.01 0.00 -2.20 0.41 -0.25 0.00 0.00 175.52 173.49 1cds n THR 52 N -2.47 1.57 -0.24 6.82 -1.04 -0.60 -0.77 114.28 117.56 1cds n THR 52 Ca 0.03 -0.45 -0.08 0.00 -2.04 0.00 0.00 64.05 61.51 1cds n THR 52 Cb 0.33 -1.71 0.04 0.00 -1.82 0.00 0.00 70.33 67.16 1cds n THR 52 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1cds h ARG 53 N -0.42 1.07 -0.00 -2.82 3.08 -1.53 -1.40 114.38 112.36 1cds h ARG 53 Ca -0.55 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.24 1cds h ARG 53 Cb 1.76 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.67 1cds h ARG 53 CO -0.16 0.96 -0.05 1.28 -1.07 0.00 0.00 179.97 180.93 1cds n LEU 54 N -4.27 0.10 -3.08 3.04 4.77 -0.71 -4.90 117.00 111.94 1cds n LEU 54 Ca 0.04 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 1cds n LEU 54 Cb 0.26 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1cds n LEU 54 CO 0.42 0.02 0.15 0.54 -1.33 0.00 0.00 177.39 177.19 1cds n ARG 55 N -1.32 -6.22 0.00 3.23 5.12 -0.53 -4.99 116.66 111.95 1cds n ARG 55 Ca 0.11 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 1cds n ARG 55 Cb 0.28 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 26.08 1cds n ARG 55 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1cds n GLU 56 N -4.25 3.22 0.02 5.56 -0.58 0.05 -5.00 120.64 119.66 1cds n GLU 56 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1cds n GLU 56 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1cds n GLU 56 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1cds n ASN 57 N 0.00 -0.25 -4.43 1.62 4.05 -1.26 -4.56 115.26 110.43 1cds n ASN 57 Ca 0.00 0.06 -0.44 0.00 0.45 0.00 0.00 54.58 54.65 1cds n ASN 57 Cb 0.00 0.64 -0.07 0.00 1.23 0.00 0.00 39.78 41.58 1cds n ASN 57 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 1cds s GLU 58 N -2.00 3.05 -0.29 1.20 -1.05 -1.26 -4.98 118.70 113.37 1cds s GLU 58 Ca 0.00 -1.08 -0.22 0.00 -0.15 0.00 0.00 54.97 53.52 1cds s GLU 58 Cb 0.00 -4.09 0.15 0.00 -0.44 0.00 0.00 34.13 29.75 1cds s GLU 58 CO 0.00 -1.05 1.12 -0.48 0.95 0.00 0.00 175.26 175.80 1cds s LEU 59 N 2.06 -0.35 -1.18 1.83 0.05 -1.26 -4.61 118.68 115.21 1cds s LEU 59 Ca 0.09 0.64 -0.11 0.00 0.05 0.00 0.00 54.13 54.80 1cds s LEU 59 Cb -0.21 1.62 0.21 0.00 -2.05 0.00 0.00 46.19 45.77 1cds s LEU 59 CO 0.10 -0.11 1.41 0.41 -0.55 0.00 0.00 176.35 177.61 1cds n THR 60 N 2.57 4.45 -2.22 5.48 -1.04 -1.24 -4.90 114.28 117.39 1cds n THR 60 Ca -0.14 -4.97 -0.42 0.00 -2.04 0.00 0.00 64.05 56.48 1cds n THR 60 Cb 0.57 -2.45 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 1cds n THR 60 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1cds s TYR 61 N 0.22 3.27 -0.32 -1.42 1.13 -1.26 -3.69 117.35 115.27 1cds s TYR 61 Ca 0.38 1.14 0.01 0.00 -1.41 0.00 0.00 57.07 57.19 1cds s TYR 61 Cb -0.03 -3.61 0.10 0.00 -1.10 0.00 0.00 41.96 37.32 1cds s TYR 61 CO -0.01 -2.00 0.07 -0.47 -2.51 0.00 0.00 175.55 170.62 1cds s TYR 62 N 0.53 2.60 0.52 -3.49 5.04 -0.91 -4.94 117.35 116.70 1cds s TYR 62 Ca 0.60 -2.26 -0.16 0.00 -2.44 0.00 0.00 57.07 52.80 1cds s TYR 62 Cb -0.36 -2.21 -0.08 0.00 0.35 0.00 0.00 41.96 39.66 1cds s TYR 62 CO 0.35 -0.90 0.99 0.00 -1.34 0.00 0.00 175.55 174.65 1cds n LYS 65 N -0.49 1.04 -4.07 0.00 2.85 -1.26 -1.65 118.16 114.57 1cds n LYS 65 Ca 0.01 -2.63 -0.22 0.00 -1.05 0.00 0.00 58.31 54.42 1cds n LYS 65 Cb 0.62 -1.16 -0.05 0.00 -0.65 0.00 0.00 35.03 33.79 1cds n LYS 65 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1cds s LYS 66 N -2.18 2.65 -0.52 -1.58 1.02 -1.26 -5.01 119.74 112.85 1cds s LYS 66 Ca 0.32 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.75 1cds s LYS 66 Cb 0.31 -2.39 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1cds s LYS 66 CO -0.06 0.26 1.11 -0.51 -0.92 0.00 0.00 175.35 175.24 1cds s ASP 67 N -3.85 6.51 -0.49 2.83 1.11 -1.26 -3.99 116.67 117.53 1cds s ASP 67 Ca 0.36 0.20 -0.02 0.00 0.18 0.00 0.00 52.55 53.26 1cds s ASP 67 Cb -0.06 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 1cds s ASP 67 CO 0.24 -1.32 0.43 0.18 1.18 0.00 0.00 175.17 175.88 1cds n LEU 68 N 7.96 -3.87 0.00 1.23 4.77 -0.39 -4.87 117.00 121.83 1cds n LEU 68 Ca 0.09 -0.30 0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1cds n LEU 68 Cb 0.49 -1.87 0.12 0.00 -2.33 0.00 0.00 43.42 39.82 1cds n LEU 68 CO 0.70 -0.05 0.25 0.00 -1.33 0.00 0.00 177.39 176.97 1cds n ASN 70 N -1.57 6.78 -1.85 0.00 5.15 -1.26 -4.37 115.26 118.13 1cds n ASN 70 Ca 0.05 -3.34 -0.16 0.00 -0.60 0.00 0.00 54.58 50.53 1cds n ASN 70 Cb 0.35 -1.14 0.04 0.00 -0.53 0.00 0.00 39.78 38.50 1cds n ASN 70 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1cds n PHE 71 N 0.34 1.50 -3.21 1.20 -1.74 -1.26 -4.82 117.46 109.48 1cds n PHE 71 Ca 0.47 -1.86 -0.09 0.00 -0.56 0.00 0.00 57.45 55.41 1cds n PHE 71 Cb 0.52 -0.91 0.03 0.00 1.52 0.00 0.00 39.48 40.63 1cds n PHE 71 CO 0.00 0.00 0.00 0.09 -0.56 0.00 0.00 176.76 176.29 1cds n ASN 72 N 0.30 -7.09 0.00 5.98 4.13 -1.26 -4.89 115.26 112.43 1cds n ASN 72 Ca 0.29 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.16 1cds n ASN 72 Cb 0.63 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.94 1cds n ASN 72 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cds n GLU 73 N -2.46 0.00 -2.75 3.52 -0.58 -1.26 -5.06 120.64 112.05 1cds n GLU 73 Ca -0.05 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.59 1cds n GLU 73 Cb 0.56 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.47 1cds n GLU 73 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1cds n GLN 74 N 0.00 1.12 0.03 3.49 6.02 -1.26 -4.93 117.38 121.86 1cds n GLN 74 Ca 0.00 -2.86 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 1cds n GLN 74 Cb 0.00 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1cds n GLN 74 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1cds n LEU 75 N -0.12 -0.22 -2.46 1.08 0.00 -1.26 -4.98 117.00 109.06 1cds n LEU 75 Ca 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 56.01 56.19 1cds n LEU 75 Cb 0.80 0.34 0.00 0.00 0.00 0.00 0.00 43.42 44.56 1cds n LEU 75 CO 0.17 -0.50 -0.32 -0.62 0.00 0.00 0.00 177.39 176.12 1cds n GLU 76 N -2.66 -2.59 -0.42 1.96 -0.58 -1.26 -5.17 120.64 109.92 1cds n GLU 76 Ca 0.00 2.20 0.00 0.00 -0.42 0.00 0.00 57.16 58.94 1cds n GLU 76 Cb 0.00 -4.46 0.00 0.00 -0.57 0.00 0.00 31.44 26.41 1cds n GLU 76 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94