#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8o s PRO 5 N 0.00 2.83 0.11 -0.78 0.04 -1.26 -4.96 135.00 130.99 2f8o s PRO 5 Ca 0.00 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 2f8o s PRO 5 Cb 0.00 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2f8o s PRO 5 CO 0.00 -1.39 1.10 0.21 0.04 0.00 0.00 177.00 176.96 2f8o s LYS 6 N -3.19 4.55 -0.11 4.56 2.20 0.66 -4.89 119.74 123.53 2f8o s LYS 6 Ca 0.78 1.67 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2f8o s LYS 6 Cb -0.38 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2f8o s LYS 6 CO 0.42 -0.02 -0.10 0.42 -0.36 0.00 0.00 175.35 175.70 2f8o s ILE 7 N 0.32 1.15 -0.07 5.43 1.01 -1.26 -1.31 121.20 126.47 2f8o s ILE 7 Ca 0.52 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2f8o s ILE 7 Cb -0.28 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.08 2f8o s ILE 7 CO 0.32 0.38 -0.17 -1.10 0.00 0.00 0.00 174.94 174.37 2f8o s GLN 8 N 1.38 2.18 -0.12 2.79 -0.21 -0.17 -4.98 119.66 120.53 2f8o s GLN 8 Ca -0.00 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.80 2f8o s GLN 8 Cb -0.13 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.14 2f8o s GLN 8 CO -0.05 0.12 -0.22 0.08 -2.12 0.00 0.00 175.29 173.09 2f8o s VAL 9 N 0.44 2.01 0.10 1.09 1.01 -1.26 -0.23 120.40 123.56 2f8o s VAL 9 Ca -0.14 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 2f8o s VAL 9 Cb -0.16 -1.76 0.07 0.00 0.00 0.00 0.00 36.38 34.53 2f8o s VAL 9 CO 0.05 0.54 0.64 -0.72 0.00 0.00 0.00 175.10 175.62 2f8o s TYR 10 N 0.63 -0.56 0.17 5.22 -0.85 -0.59 -4.65 117.35 116.73 2f8o s TYR 10 Ca -0.12 0.52 -0.05 0.00 -0.52 0.00 0.00 57.07 56.90 2f8o s TYR 10 Cb -0.16 0.52 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 2f8o s TYR 10 CO 0.03 -0.77 0.41 -1.54 -1.52 0.00 0.00 175.55 172.16 2f8o s SER 11 N -2.34 6.50 0.09 -0.18 1.04 -1.26 -0.48 113.70 117.07 2f8o s SER 11 Ca -0.02 0.63 -0.22 0.00 0.48 0.00 0.00 55.95 56.82 2f8o s SER 11 Cb -0.01 -2.11 -0.13 0.00 0.10 0.00 0.00 66.02 63.88 2f8o s SER 11 CO -0.07 0.01 1.73 -0.09 0.98 0.00 0.00 173.24 175.79 2f8o h ARG 12 N 2.62 0.08 -6.21 4.02 2.43 -1.52 -3.44 114.38 112.36 2f8o h ARG 12 Ca -0.46 -0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.13 2f8o h ARG 12 Cb 1.17 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.60 2f8o h ARG 12 CO 0.71 0.08 -0.67 -1.01 -1.51 0.00 0.00 179.97 177.57 2f8o s HIS 13 N -6.09 2.62 0.12 2.20 3.76 -1.26 -5.04 115.29 111.61 2f8o s HIS 13 Ca -0.13 -0.24 -0.35 0.00 -0.15 0.00 0.00 55.06 54.19 2f8o s HIS 13 Cb 0.07 -1.16 -0.16 0.00 1.11 0.00 0.00 32.58 32.43 2f8o s HIS 13 CO 0.67 0.64 1.24 -2.30 -0.85 0.00 0.00 174.74 174.14 2f8o n PRO 14 N -0.82 1.11 -2.29 8.40 -0.02 -1.26 -4.83 135.00 135.29 2f8o n PRO 14 Ca -0.06 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2f8o n PRO 14 Cb 0.59 -1.97 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2f8o n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f8o s ALA 15 N 0.15 3.50 -0.04 3.55 0.00 -1.26 -5.02 121.76 122.63 2f8o s ALA 15 Ca 0.79 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 53.72 2f8o s ALA 15 Cb -0.92 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 18.74 2f8o s ALA 15 CO 0.50 -0.54 0.04 -1.21 0.00 0.00 0.00 175.76 174.54 2f8o s GLU 16 N 1.13 0.11 0.19 0.00 2.02 -1.26 -5.12 118.70 115.77 2f8o s GLU 16 Ca 0.62 0.28 -0.32 0.00 0.02 0.00 0.00 54.97 55.57 2f8o s GLU 16 Cb -0.33 -0.59 -0.15 0.00 0.10 0.00 0.00 34.13 33.15 2f8o s GLU 16 CO 0.30 -0.30 1.23 0.09 0.02 0.00 0.00 175.26 176.60 2f8o n ASN 17 N 5.10 1.74 -0.29 -0.19 3.02 -1.26 -1.34 115.26 122.04 2f8o n ASN 17 Ca -0.07 1.14 -0.04 0.00 -0.03 0.00 0.00 54.58 55.58 2f8o n ASN 17 Cb 0.50 -1.28 -0.02 0.00 -0.61 0.00 0.00 39.78 38.38 2f8o n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f8o n GLY 18 N 2.05 0.56 3.22 7.41 0.00 -0.10 -5.00 105.19 113.34 2f8o n GLY 18 Ca 0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2f8o n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f8o s LYS 19 N -1.72 3.11 0.42 1.61 1.02 -0.45 -5.01 119.74 118.71 2f8o s LYS 19 Ca 0.00 -0.82 -0.25 0.00 0.02 0.00 0.00 55.97 54.92 2f8o s LYS 19 Cb 0.00 -2.48 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 2f8o s LYS 19 CO 0.00 0.04 1.25 -1.13 -0.92 0.00 0.00 175.35 174.59 2f8o n SER 20 N 3.94 2.44 -1.73 2.83 3.41 -1.26 -4.33 113.62 118.92 2f8o n SER 20 Ca -0.19 1.11 -0.04 0.00 -0.26 0.00 0.00 58.87 59.49 2f8o n SER 20 Cb 0.52 -1.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.00 2f8o n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2f8o n ASN 21 N 0.27 -0.91 -4.13 4.04 2.85 0.13 -4.98 115.26 112.52 2f8o n ASN 21 Ca 0.07 -1.66 -0.27 0.00 -0.11 0.00 0.00 54.58 52.61 2f8o n ASN 21 Cb 0.39 1.53 -0.16 0.00 1.24 0.00 0.00 39.78 42.77 2f8o n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2f8o s PHE 22 N -6.08 1.90 -0.13 1.20 0.08 -1.26 -0.94 117.98 112.75 2f8o s PHE 22 Ca 0.07 -0.66 -0.13 0.00 0.12 0.00 0.00 56.93 56.32 2f8o s PHE 22 Cb -0.02 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 2f8o s PHE 22 CO 0.05 -0.27 0.30 -1.17 -0.10 0.00 0.00 175.22 174.04 2f8o s LEU 23 N 0.29 4.30 -0.01 -0.37 2.96 -0.05 -1.14 118.68 124.65 2f8o s LEU 23 Ca -0.11 0.60 0.05 0.00 -0.22 0.00 0.00 54.13 54.44 2f8o s LEU 23 Cb -0.15 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 2f8o s LEU 23 CO 0.04 0.17 -0.16 0.20 -1.32 0.00 0.00 176.35 175.29 2f8o s ASN 24 N 0.02 1.87 -0.17 3.68 0.01 0.37 -1.71 114.94 119.01 2f8o s ASN 24 Ca 0.18 -0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2f8o s ASN 24 Cb -0.14 -0.24 0.04 0.00 0.41 0.00 0.00 41.25 41.32 2f8o s ASN 24 CO 0.06 0.19 -0.09 0.00 -1.51 0.00 0.00 177.10 175.75 2f8o s TYR 26 N 1.53 3.20 -0.16 0.00 5.04 0.68 -1.24 117.35 126.39 2f8o s TYR 26 Ca 0.01 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 2f8o s TYR 26 Cb -0.15 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.76 2f8o s TYR 26 CO -0.08 -0.42 -0.15 0.08 -1.34 0.00 0.00 175.55 173.63 2f8o s VAL 27 N 1.65 2.61 0.06 3.14 1.01 0.24 -1.00 120.40 128.12 2f8o s VAL 27 Ca 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2f8o s VAL 27 Cb -0.17 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2f8o s VAL 27 CO 0.08 0.51 0.06 -0.94 0.00 0.00 0.00 175.10 174.81 2f8o s SER 28 N 0.90 0.32 0.00 3.32 1.04 -0.43 -0.36 113.70 118.50 2f8o s SER 28 Ca -0.04 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2f8o s SER 28 Cb -0.15 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2f8o s SER 28 CO -0.02 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.18 2f8o n GLY 29 N 0.13 -0.85 3.18 7.32 0.00 -0.85 -0.24 105.19 113.88 2f8o n GLY 29 Ca -0.15 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.64 2f8o n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f8o s PHE 30 N -3.00 1.10 -1.21 1.61 0.08 -1.26 -1.22 117.98 114.08 2f8o s PHE 30 Ca 0.00 -0.64 -0.13 0.00 0.12 0.00 0.00 56.93 56.28 2f8o s PHE 30 Cb 0.00 -0.60 -0.01 0.00 -0.57 0.00 0.00 43.02 41.84 2f8o s PHE 30 CO 0.00 0.02 0.72 0.72 -0.10 0.00 0.00 175.22 176.58 2f8o n HIS 31 N 0.57 -1.91 -3.65 0.36 8.25 -0.19 -5.00 115.22 113.66 2f8o n HIS 31 Ca -0.16 0.60 -0.03 0.00 -0.26 0.00 0.00 57.72 57.87 2f8o n HIS 31 Cb 0.58 -3.71 -0.05 0.00 1.12 0.00 0.00 29.99 27.93 2f8o n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f8o s ALA 32 N -3.58 -1.97 0.23 -1.41 0.00 -1.26 -5.12 121.76 108.65 2f8o s ALA 32 Ca 0.31 2.32 0.10 0.00 0.00 0.00 0.00 51.96 54.69 2f8o s ALA 32 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2f8o s ALA 32 CO 0.85 -0.82 -0.06 -1.12 0.00 0.00 0.00 175.76 174.61 2f8o s SER 33 N 2.64 4.32 -1.26 0.00 0.01 -1.26 -4.74 113.70 113.41 2f8o s SER 33 Ca -0.07 -0.66 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2f8o s SER 33 Cb -0.11 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2f8o s SER 33 CO -0.19 0.05 1.05 0.47 0.41 0.00 0.00 173.24 175.04 2f8o n ASP 34 N -0.46 -3.54 -4.76 2.44 8.00 -1.26 -4.93 116.55 112.04 2f8o n ASP 34 Ca -0.08 -0.60 -0.40 0.00 0.71 0.00 0.00 54.79 54.42 2f8o n ASP 34 Cb 0.58 -5.05 -0.05 0.00 -0.02 0.00 0.00 41.12 36.58 2f8o n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f8o s ILE 35 N -3.36 3.72 -0.17 0.53 1.01 -1.26 -4.85 121.20 116.83 2f8o s ILE 35 Ca 0.21 1.74 -0.06 0.00 0.00 0.00 0.00 60.65 62.54 2f8o s ILE 35 Cb -0.09 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2f8o s ILE 35 CO 0.73 0.42 0.04 -0.70 0.00 0.00 0.00 174.94 175.43 2f8o s GLU 36 N -1.34 3.85 -0.04 2.79 2.12 -0.25 -4.99 118.70 120.83 2f8o s GLU 36 Ca 0.43 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.40 2f8o s GLU 36 Cb -0.29 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 30.99 2f8o s GLU 36 CO 0.37 0.30 -0.07 0.08 -0.54 0.00 0.00 175.26 175.41 2f8o s VAL 37 N 0.26 0.70 0.06 3.70 1.01 -1.26 -0.78 120.40 124.09 2f8o s VAL 37 Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2f8o s VAL 37 Cb -0.13 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2f8o s VAL 37 CO 0.01 0.25 -0.12 -1.81 0.00 0.00 0.00 175.10 173.43 2f8o s ASP 38 N 0.70 1.36 -0.14 3.32 1.01 0.02 -5.00 116.67 117.94 2f8o s ASP 38 Ca -0.11 -0.57 -0.08 0.00 0.71 0.00 0.00 52.55 52.51 2f8o s ASP 38 Cb -0.14 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 43.73 2f8o s ASP 38 CO 0.01 -0.11 0.13 -0.76 0.21 0.00 0.00 175.17 174.65 2f8o s LEU 39 N -1.60 4.28 -0.04 1.23 1.43 -1.26 -0.22 118.68 122.49 2f8o s LEU 39 Ca -0.04 0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.47 2f8o s LEU 39 Cb -0.10 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2f8o s LEU 39 CO 0.01 0.34 -0.17 -0.76 0.23 0.00 0.00 176.35 176.00 2f8o s LEU 40 N -0.58 2.58 -0.23 1.79 1.43 0.24 -0.61 118.68 123.30 2f8o s LEU 40 Ca 0.12 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2f8o s LEU 40 Cb -0.12 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.63 2f8o s LEU 40 CO 0.02 0.34 -0.13 -0.75 0.23 0.00 0.00 176.35 176.06 2f8o s LYS 41 N -0.68 2.67 -1.50 1.70 2.20 0.86 -1.74 119.74 123.26 2f8o s LYS 41 Ca 0.11 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 54.55 2f8o s LYS 41 Cb -0.11 -2.81 0.07 0.00 -1.51 0.00 0.00 37.83 33.48 2f8o s LYS 41 CO 0.00 -0.40 0.86 0.09 -0.36 0.00 0.00 175.35 175.54 2f8o n ASN 42 N 4.57 -3.51 0.00 1.43 3.02 0.11 -1.58 115.26 119.30 2f8o n ASN 42 Ca -0.17 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2f8o n ASN 42 Cb 0.46 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 2f8o n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f8o n GLY 43 N -1.66 1.69 3.70 7.41 0.00 -1.26 -5.02 105.19 110.05 2f8o n GLY 43 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2f8o n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f8o s GLU 44 N -0.12 3.03 0.14 1.61 2.02 -0.61 -5.01 118.70 119.76 2f8o s GLU 44 Ca 0.00 -0.38 -0.31 0.00 0.02 0.00 0.00 54.97 54.30 2f8o s GLU 44 Cb 0.00 -2.83 -0.09 0.00 0.10 0.00 0.00 34.13 31.30 2f8o s GLU 44 CO 0.00 0.71 1.56 0.50 0.02 0.00 0.00 175.26 178.05 2f8o s ARG 45 N -0.89 4.22 -0.18 1.61 3.52 -1.26 -0.10 118.95 125.88 2f8o s ARG 45 Ca 0.13 2.32 -0.26 0.00 -0.13 0.00 0.00 55.73 57.80 2f8o s ARG 45 Cb -0.11 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 2f8o s ARG 45 CO 0.02 -0.61 0.86 0.42 -0.81 0.00 0.00 175.30 175.18 2f8o s ILE 46 N 1.42 4.85 0.53 4.11 1.01 0.22 -4.87 121.20 128.46 2f8o s ILE 46 Ca 0.70 1.69 -0.08 0.00 0.00 0.00 0.00 60.65 62.96 2f8o s ILE 46 Cb -0.42 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2f8o s ILE 46 CO 0.31 -0.00 0.87 -1.83 0.00 0.00 0.00 174.94 174.29 2f8o s GLU 47 N 2.29 3.59 -1.23 2.79 -1.05 -1.26 -4.29 118.70 119.54 2f8o s GLU 47 Ca 0.39 0.42 -0.08 0.00 -0.15 0.00 0.00 54.97 55.56 2f8o s GLU 47 Cb -0.16 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.27 2f8o s GLU 47 CO 0.12 -0.32 1.07 1.63 0.95 0.00 0.00 175.26 178.71 2f8o n LYS 48 N -2.35 -7.22 -2.81 -4.83 4.76 -1.26 -4.98 118.16 99.46 2f8o n LYS 48 Ca 0.03 0.76 -0.41 0.00 -2.87 0.00 0.00 58.31 55.82 2f8o n LYS 48 Cb 0.55 -5.59 -0.04 0.00 -1.84 0.00 0.00 35.03 28.10 2f8o n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2f8o s VAL 49 N -3.29 4.64 0.55 -0.18 1.01 -1.26 -5.02 120.40 116.85 2f8o s VAL 49 Ca 0.50 1.92 -0.07 0.00 0.00 0.00 0.00 61.98 64.32 2f8o s VAL 49 Cb -0.22 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2f8o s VAL 49 CO 0.67 0.31 0.89 -1.61 0.00 0.00 0.00 175.10 175.35 2f8o s GLU 50 N 0.16 3.48 0.01 2.72 0.41 -0.83 -4.90 118.70 119.75 2f8o s GLU 50 Ca 0.45 0.37 -0.20 0.00 -0.41 0.00 0.00 54.97 55.18 2f8o s GLU 50 Cb -0.22 -2.26 0.04 0.00 -1.78 0.00 0.00 34.13 29.92 2f8o s GLU 50 CO 0.27 -0.40 0.45 -3.38 -0.49 0.00 0.00 175.26 171.71 2f8o s HIS 51 N -2.93 -0.34 -0.08 1.61 -3.43 -1.26 -1.34 115.29 107.51 2f8o s HIS 51 Ca 0.51 0.45 0.05 0.00 -0.80 0.00 0.00 55.06 55.27 2f8o s HIS 51 Cb -0.11 0.24 -0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2f8o s HIS 51 CO 0.48 -0.54 -0.24 -1.12 -2.00 0.00 0.00 174.74 171.32 2f8o s SER 52 N -1.64 3.11 -0.07 7.38 0.01 0.05 -4.98 113.70 117.56 2f8o s SER 52 Ca -0.09 -0.53 0.04 0.00 1.31 0.00 0.00 55.95 56.68 2f8o s SER 52 Cb -0.02 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2f8o s SER 52 CO 0.02 0.19 -0.18 -1.81 0.41 0.00 0.00 173.24 171.87 2f8o s ASP 53 N 0.14 2.41 -0.02 2.44 1.11 -1.26 -0.91 116.67 120.56 2f8o s ASP 53 Ca -0.13 -0.41 0.02 0.00 0.18 0.00 0.00 52.55 52.21 2f8o s ASP 53 Cb -0.16 -0.92 0.01 0.00 1.07 0.00 0.00 42.92 42.92 2f8o s ASP 53 CO 0.07 0.13 -0.08 -0.22 1.18 0.00 0.00 175.17 176.25 2f8o s LEU 54 N 0.28 1.75 0.02 1.23 2.96 -0.23 -5.02 118.68 119.67 2f8o s LEU 54 Ca -0.11 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.55 2f8o s LEU 54 Cb -0.15 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.06 2f8o s LEU 54 CO 0.05 0.05 0.16 -0.94 -1.32 0.00 0.00 176.35 174.35 2f8o s SER 55 N 0.26 0.03 -0.08 3.68 1.04 -1.26 -0.40 113.70 116.96 2f8o s SER 55 Ca -0.04 -0.27 0.01 0.00 0.48 0.00 0.00 55.95 56.13 2f8o s SER 55 Cb -0.08 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.30 2f8o s SER 55 CO 0.00 -0.45 -0.09 -0.36 0.98 0.00 0.00 173.24 173.33 2f8o s PHE 56 N -1.86 1.34 0.31 5.02 0.08 -0.77 -5.01 117.98 117.07 2f8o s PHE 56 Ca -0.11 -0.57 0.20 0.00 0.12 0.00 0.00 56.93 56.57 2f8o s PHE 56 Cb -0.05 -1.08 0.95 0.00 -0.57 0.00 0.00 43.02 42.28 2f8o s PHE 56 CO -0.00 -0.37 1.88 0.66 -0.10 0.00 0.00 175.22 177.28 2f8o h SER 57 N 7.61 0.00 -0.85 1.36 4.64 -1.96 -2.01 113.55 122.35 2f8o h SER 57 Ca -0.31 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2f8o h SER 57 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 2f8o h SER 57 CO 0.43 0.28 0.55 0.50 -0.87 0.00 0.00 176.83 177.72 2f8o h LYS 58 N 0.00 0.81 0.00 4.77 1.63 -1.96 -2.91 116.57 118.91 2f8o h LYS 58 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2f8o h LYS 58 Cb 0.63 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 2f8o h LYS 58 CO 0.04 0.54 -0.10 -0.40 -3.45 0.00 0.00 179.45 176.07 2f8o n ASP 59 N -4.51 1.35 -3.72 4.20 5.75 -1.24 -5.01 116.55 113.37 2f8o n ASP 59 Ca 0.14 -2.19 -0.28 0.00 -0.01 0.00 0.00 54.79 52.45 2f8o n ASP 59 Cb 0.29 -0.18 0.01 0.00 -1.03 0.00 0.00 41.12 40.21 2f8o n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2f8o n TRP 60 N -0.62 -2.00 -3.36 2.11 8.01 -0.81 -4.60 117.44 116.17 2f8o n TRP 60 Ca 0.05 0.71 -0.28 0.00 -1.31 0.00 0.00 57.50 56.67 2f8o n TRP 60 Cb 0.52 -3.47 -0.03 0.00 -2.01 0.00 0.00 31.31 26.32 2f8o n TRP 60 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2f8o s SER 61 N -3.05 6.43 0.00 -0.99 1.04 -0.90 -1.03 113.70 115.21 2f8o s SER 61 Ca 0.57 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.63 2f8o s SER 61 Cb -0.29 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.69 2f8o s SER 61 CO 0.70 -0.19 0.09 0.72 0.98 0.00 0.00 173.24 175.54 2f8o s PHE 62 N -2.08 0.07 -0.15 5.02 -0.12 -0.36 -1.85 117.98 118.51 2f8o s PHE 62 Ca 0.43 -0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 57.10 2f8o s PHE 62 Cb -0.11 -0.07 0.06 0.00 -0.63 0.00 0.00 43.02 42.27 2f8o s PHE 62 CO 0.30 -0.22 0.11 0.71 -0.05 0.00 0.00 175.22 176.07 2f8o s TYR 63 N -1.16 0.08 -0.07 3.49 1.51 0.46 -2.00 117.35 119.66 2f8o s TYR 63 Ca -0.13 -0.10 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 2f8o s TYR 63 Cb -0.07 -0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 2f8o s TYR 63 CO 0.01 -0.47 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.24 2f8o s LEU 64 N 2.18 2.19 -0.24 -1.29 1.43 0.52 -1.06 118.68 122.41 2f8o s LEU 64 Ca 0.03 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2f8o s LEU 64 Cb -0.15 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.71 2f8o s LEU 64 CO -0.09 0.23 -0.10 -0.22 0.23 0.00 0.00 176.35 176.41 2f8o s LEU 65 N -0.09 2.93 -0.21 1.79 2.96 -0.09 -0.59 118.68 125.37 2f8o s LEU 65 Ca -0.05 -1.19 -0.10 0.00 -0.22 0.00 0.00 54.13 52.57 2f8o s LEU 65 Cb -0.14 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.10 2f8o s LEU 65 CO 0.04 -0.18 0.12 -0.31 -1.32 0.00 0.00 176.35 174.71 2f8o s TYR 66 N 1.24 3.33 0.03 5.38 1.51 -0.37 -0.77 117.35 127.70 2f8o s TYR 66 Ca -0.06 0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 56.13 2f8o s TYR 66 Cb -0.18 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 2f8o s TYR 66 CO -0.07 0.16 0.18 1.52 -1.11 0.00 0.00 175.55 176.23 2f8o s TYR 67 N 0.66 0.07 -0.00 2.71 -0.85 -0.45 -0.21 117.35 119.27 2f8o s TYR 67 Ca 0.07 -0.28 -0.28 0.00 -0.52 0.00 0.00 57.07 56.06 2f8o s TYR 67 Cb -0.12 -0.04 0.07 0.00 0.38 0.00 0.00 41.96 42.24 2f8o s TYR 67 CO 0.01 -0.41 0.63 -0.08 -1.52 0.00 0.00 175.55 174.19 2f8o s THR 68 N -2.44 0.01 0.26 -3.49 -1.32 -0.69 -1.96 115.64 106.00 2f8o s THR 68 Ca -0.06 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 2f8o s THR 68 Cb -0.02 -0.98 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 2f8o s THR 68 CO -0.03 -0.02 1.13 -0.70 -2.21 0.00 0.00 174.62 172.78 2f8o s GLU 69 N -1.77 4.59 0.20 7.08 2.12 -1.26 -0.88 118.70 128.78 2f8o s GLU 69 Ca -0.08 1.84 -0.17 0.00 0.36 0.00 0.00 54.97 56.92 2f8o s GLU 69 Cb -0.00 -3.20 0.02 0.00 0.26 0.00 0.00 34.13 31.21 2f8o s GLU 69 CO 0.05 0.12 0.51 -0.59 -0.54 0.00 0.00 175.26 174.80 2f8o s PHE 70 N -0.89 -0.06 -0.29 5.30 -0.00 -0.12 -4.87 117.98 117.05 2f8o s PHE 70 Ca 0.47 -0.28 0.00 0.00 -0.00 0.00 0.00 56.93 57.12 2f8o s PHE 70 Cb -0.32 0.36 0.09 0.00 -0.00 0.00 0.00 43.02 43.14 2f8o s PHE 70 CO 0.41 -0.91 0.05 0.99 -0.00 0.00 0.00 175.22 175.75 2f8o s THR 71 N -3.89 1.29 0.47 -4.49 2.01 -1.26 0.18 115.64 109.95 2f8o s THR 71 Ca 0.10 -1.49 -0.22 0.00 0.31 0.00 0.00 61.69 60.39 2f8o s THR 71 Cb -0.01 -1.86 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 2f8o s THR 71 CO -0.02 -0.49 1.17 -2.16 -0.69 0.00 0.00 174.62 172.43 2f8o s PRO 72 N 1.44 3.67 0.32 4.92 0.04 -1.26 -4.76 135.00 139.36 2f8o s PRO 72 Ca 0.06 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2f8o s PRO 72 Cb -0.18 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2f8o s PRO 72 CO -0.16 -0.62 0.22 0.95 0.04 0.00 0.00 177.00 177.42 2f8o s THR 73 N -1.56 0.14 0.12 1.26 -4.23 -1.26 -0.92 115.64 109.19 2f8o s THR 73 Ca 0.65 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 2f8o s THR 73 Cb -0.29 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 2f8o s THR 73 CO 0.34 0.00 1.48 -0.33 -0.54 0.00 0.00 174.62 175.58 2f8o h GLU 74 N 2.17 0.81 0.00 3.99 3.07 -1.99 -3.21 114.58 119.42 2f8o h GLU 74 Ca -0.29 -0.38 -0.05 0.00 -0.50 0.00 0.00 59.36 58.14 2f8o h GLU 74 Cb 1.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2f8o h GLU 74 CO 0.44 1.01 -0.24 0.87 -1.40 0.00 0.00 179.01 179.69 2f8o h LYS 75 N 0.60 0.00 -5.87 2.33 1.57 -2.02 -3.45 116.57 109.73 2f8o h LYS 75 Ca 0.08 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.26 2f8o h LYS 75 Cb 0.79 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.04 2f8o h LYS 75 CO 0.06 0.24 -0.20 -0.51 -0.57 0.00 0.00 179.45 178.47 2f8o s ASP 76 N -6.21 6.73 -0.06 0.86 1.01 -1.21 -5.03 116.67 112.76 2f8o s ASP 76 Ca 0.02 0.87 0.05 0.00 0.71 0.00 0.00 52.55 54.20 2f8o s ASP 76 Cb 0.09 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 2f8o s ASP 76 CO 0.66 0.21 -0.22 -0.70 0.21 0.00 0.00 175.17 175.33 2f8o s GLU 77 N -0.42 2.58 0.19 8.23 2.12 -1.26 -4.66 118.70 125.48 2f8o s GLU 77 Ca 0.23 -0.84 0.10 0.00 0.36 0.00 0.00 54.97 54.82 2f8o s GLU 77 Cb -0.16 -2.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 2f8o s GLU 77 CO 0.11 0.43 -0.20 0.71 -0.54 0.00 0.00 175.26 175.78 2f8o s TYR 78 N -0.28 2.02 0.23 5.30 1.51 -1.26 0.07 117.35 124.95 2f8o s TYR 78 Ca 0.00 -0.42 -0.19 0.00 -1.01 0.00 0.00 57.07 55.45 2f8o s TYR 78 Cb -0.13 -0.98 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2f8o s TYR 78 CO 0.03 0.43 0.61 0.00 -1.11 0.00 0.00 175.55 175.51 2f8o s ALA 79 N -2.05 -1.06 -0.11 3.71 0.00 -0.71 -0.55 121.76 121.00 2f8o s ALA 79 Ca 0.20 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2f8o s ALA 79 Cb -0.06 0.88 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 2f8o s ALA 79 CO 0.09 -0.90 -0.21 0.00 0.00 0.00 0.00 175.76 174.74 2f8o s ARG 81 N 0.33 3.26 -0.10 0.00 3.52 0.69 -0.38 118.95 126.26 2f8o s ARG 81 Ca -0.16 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 2f8o s ARG 81 Cb -0.17 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2f8o s ARG 81 CO 0.08 -0.23 -0.18 0.08 -0.81 0.00 0.00 175.30 174.24 2f8o s VAL 82 N 1.44 2.63 0.13 7.11 1.01 0.38 -0.80 120.40 132.30 2f8o s VAL 82 Ca 0.05 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.27 2f8o s VAL 82 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 2f8o s VAL 82 CO -0.04 0.55 -0.15 0.21 0.00 0.00 0.00 175.10 175.66 2f8o s ASN 83 N 0.18 2.12 0.07 3.32 2.47 0.04 0.00 114.94 123.14 2f8o s ASN 83 Ca -0.10 -0.81 -0.27 0.00 0.42 0.00 0.00 52.86 52.10 2f8o s ASN 83 Cb -0.16 -0.08 0.09 0.00 -1.45 0.00 0.00 41.25 39.64 2f8o s ASN 83 CO 0.06 -0.12 0.86 -2.28 -3.72 0.00 0.00 177.10 171.90 2f8o s HIS 84 N -2.06 -0.32 0.27 0.43 5.65 -1.26 -1.10 115.29 116.90 2f8o s HIS 84 Ca 0.10 0.12 -0.02 0.00 0.25 0.00 0.00 55.06 55.50 2f8o s HIS 84 Cb -0.05 0.57 0.41 0.00 -1.18 0.00 0.00 32.58 32.33 2f8o s HIS 84 CO 0.04 -0.68 1.89 0.28 -0.65 0.00 0.00 174.74 175.62 2f8o h VAL 85 N 2.00 1.10 -0.34 0.89 2.07 -1.91 -2.26 116.25 117.81 2f8o h VAL 85 Ca -0.24 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 66.94 2f8o h VAL 85 Cb 1.25 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2f8o h VAL 85 CO 0.30 0.22 0.23 0.74 0.02 0.00 0.00 177.57 179.08 2f8o h THR 86 N 1.18 0.93 -3.37 2.57 2.02 -1.98 -3.42 112.91 110.84 2f8o h THR 86 Ca 0.42 -0.06 -0.55 0.00 0.77 0.00 0.00 66.41 66.99 2f8o h THR 86 Cb 0.14 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 2f8o h THR 86 CO -0.16 0.03 0.08 -0.76 0.37 0.00 0.00 175.52 175.08 2f8o s LEU 87 N -9.12 4.49 0.32 2.58 1.43 -0.85 -4.97 118.68 112.56 2f8o s LEU 87 Ca -0.06 1.37 0.17 0.00 -1.03 0.00 0.00 54.13 54.58 2f8o s LEU 87 Cb 0.18 -3.09 0.36 0.00 0.03 0.00 0.00 46.19 43.68 2f8o s LEU 87 CO 0.71 0.14 1.58 0.77 0.23 0.00 0.00 176.35 179.78 2f8o h SER 88 N 5.13 0.00 -4.97 2.29 4.64 -1.82 -3.44 113.55 115.38 2f8o h SER 88 Ca -0.46 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 2f8o h SER 88 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 2f8o h SER 88 CO 0.68 0.47 -0.16 0.00 -0.87 0.00 0.00 176.83 176.94 2f8o s GLN 89 N -3.26 0.76 0.18 4.77 -2.07 -1.26 -5.14 119.66 113.64 2f8o s GLN 89 Ca 0.02 -0.07 -0.33 0.00 -1.82 0.00 0.00 55.36 53.16 2f8o s GLN 89 Cb 0.09 0.34 -0.14 0.00 -1.09 0.00 0.00 33.01 32.21 2f8o s GLN 89 CO 0.72 -0.22 1.39 -2.30 -1.32 0.00 0.00 175.29 173.57 2f8o n PRO 90 N 1.21 1.77 -3.10 9.60 -0.02 -1.26 -4.93 135.00 138.27 2f8o n PRO 90 Ca -0.21 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 2f8o n PRO 90 Cb 0.56 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 2f8o n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2f8o s LYS 91 N 0.07 3.91 -0.16 -0.52 2.47 0.10 -4.91 119.74 120.70 2f8o s LYS 91 Ca 0.74 0.33 -0.04 0.00 -1.56 0.00 0.00 55.97 55.44 2f8o s LYS 91 Cb -0.74 -3.73 -0.03 0.00 -1.46 0.00 0.00 37.83 31.87 2f8o s LYS 91 CO 0.47 -0.58 -0.02 0.42 0.16 0.00 0.00 175.35 175.79 2f8o s ILE 92 N 2.64 4.03 -0.20 5.43 1.01 -1.26 -0.47 121.20 132.38 2f8o s ILE 92 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.61 2f8o s ILE 92 Cb -0.15 -2.77 0.05 0.00 0.01 0.00 0.00 42.46 39.60 2f8o s ILE 92 CO 0.12 0.49 -0.09 -0.69 0.00 0.00 0.00 174.94 174.77 2f8o s VAL 93 N 0.32 1.59 0.35 2.92 1.01 0.49 -4.97 120.40 122.11 2f8o s VAL 93 Ca -0.03 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 2f8o s VAL 93 Cb -0.14 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.44 2f8o s VAL 93 CO 0.03 0.10 1.10 -0.75 0.00 0.00 0.00 175.10 175.58 2f8o s LYS 94 N 1.41 4.35 0.07 2.72 2.20 -1.26 -0.52 119.74 128.70 2f8o s LYS 94 Ca -0.02 1.72 -0.30 0.00 -0.36 0.00 0.00 55.97 57.00 2f8o s LYS 94 Cb -0.17 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2f8o s LYS 94 CO -0.08 -0.02 1.14 -0.46 -0.36 0.00 0.00 175.35 175.57 2f8o s TRP 95 N -1.38 3.51 -0.17 4.03 -0.00 0.29 -4.90 118.94 120.31 2f8o s TRP 95 Ca 0.52 1.43 0.01 0.00 -0.00 0.00 0.00 56.10 58.06 2f8o s TRP 95 Cb -0.28 -3.33 0.03 0.00 -0.00 0.00 0.00 33.47 29.88 2f8o s TRP 95 CO 0.36 -0.91 -0.16 0.34 -0.00 0.00 0.00 176.95 176.59 2f8o s ASP 96 N 0.86 3.07 0.00 5.86 2.15 -1.26 -4.75 116.67 122.60 2f8o s ASP 96 Ca 0.56 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2f8o s ASP 96 Cb -0.28 -1.33 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 2f8o s ASP 96 CO 0.30 -0.05 0.43 0.54 -0.17 0.00 0.00 175.17 176.21