#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0g s ILE 1 N 0.00 2.02 -0.27 2.02 1.01 -1.26 -4.99 121.20 119.72 1b0g s ILE 1 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 1b0g s ILE 1 Cb 0.00 -3.01 0.09 0.00 0.01 0.00 0.00 42.46 39.56 1b0g s ILE 1 CO 0.00 0.00 0.12 -1.10 0.00 0.00 0.00 174.94 173.96 1b0g s GLN 2 N 0.13 0.28 -0.07 2.79 -0.21 -1.25 -4.24 119.66 117.09 1b0g s GLN 2 Ca 0.68 -0.56 -0.05 0.00 0.02 0.00 0.00 55.36 55.45 1b0g s GLN 2 Cb -0.49 -1.42 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1b0g s GLN 2 CO 0.42 -0.95 0.15 1.03 -2.12 0.00 0.00 175.29 173.82 1b0g s ARG 3 N 2.02 3.41 -0.01 2.91 0.52 0.20 -4.87 118.95 123.12 1b0g s ARG 3 Ca 0.08 -0.22 -0.23 0.00 -0.52 0.00 0.00 55.73 54.83 1b0g s ARG 3 Cb -0.16 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 1b0g s ARG 3 CO -0.30 0.73 0.69 0.99 0.02 0.00 0.00 175.30 177.44 1b0g s THR 4 N -1.14 4.89 0.22 0.02 2.01 -1.26 -1.53 115.64 118.86 1b0g s THR 4 Ca 0.20 1.45 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 1b0g s THR 4 Cb -0.12 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.27 1b0g s THR 4 CO 0.10 0.34 1.19 -2.16 -0.69 0.00 0.00 174.62 173.39 1b0g s PRO 5 N 0.20 4.51 0.02 4.92 0.04 -1.26 -4.28 135.00 139.16 1b0g s PRO 5 Ca 0.36 1.89 -0.19 0.00 0.04 0.00 0.00 61.00 63.10 1b0g s PRO 5 Cb -0.19 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 1b0g s PRO 5 CO 0.20 -0.03 0.55 0.15 0.04 0.00 0.00 177.00 177.91 1b0g s LYS 6 N -0.66 4.21 -0.11 4.56 1.02 0.62 -4.87 119.74 124.52 1b0g s LYS 6 Ca 0.51 0.67 0.01 0.00 0.02 0.00 0.00 55.97 57.18 1b0g s LYS 6 Cb -0.33 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 1b0g s LYS 6 CO 0.39 0.52 -0.15 0.42 -0.92 0.00 0.00 175.35 175.62 1b0g s ILE 7 N -0.67 2.94 -0.19 2.17 1.01 -1.26 -2.42 121.20 122.77 1b0g s ILE 7 Ca 0.29 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1b0g s ILE 7 Cb -0.18 -2.20 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1b0g s ILE 7 CO 0.17 0.54 0.04 -1.10 0.00 0.00 0.00 174.94 174.59 1b0g s GLN 8 N 0.08 0.64 -0.32 2.79 -0.21 -0.49 -4.98 119.66 117.18 1b0g s GLN 8 Ca -0.06 -0.42 -0.10 0.00 0.02 0.00 0.00 55.36 54.80 1b0g s GLN 8 Cb -0.15 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.75 1b0g s GLN 8 CO 0.05 -0.64 0.17 0.54 -2.12 0.00 0.00 175.29 173.28 1b0g s VAL 9 N 1.86 4.69 0.31 1.09 0.11 -1.26 -0.23 120.40 126.97 1b0g s VAL 9 Ca -0.01 -0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 58.61 1b0g s VAL 9 Cb -0.17 -3.41 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 1b0g s VAL 9 CO -0.08 0.03 0.41 0.00 -3.33 0.00 0.00 175.10 172.14 1b0g n TYR 10 N 5.00 -1.25 -4.40 1.54 4.11 -0.62 -4.55 117.16 116.99 1b0g n TYR 10 Ca -0.14 -2.14 -0.23 0.00 -0.00 0.00 0.00 57.90 55.40 1b0g n TYR 10 Cb 0.49 0.46 -0.11 0.00 -0.00 0.00 0.00 39.34 40.18 1b0g n TYR 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1b0g s SER 11 N -2.94 3.12 0.07 9.48 1.04 -1.26 0.79 113.70 123.99 1b0g s SER 11 Ca 0.27 -0.95 -0.27 0.00 0.48 0.00 0.00 55.95 55.48 1b0g s SER 11 Cb -0.01 -0.22 -0.17 0.00 0.10 0.00 0.00 66.02 65.73 1b0g s SER 11 CO 0.19 -0.01 1.61 -0.09 0.98 0.00 0.00 173.24 175.93 1b0g h ARG 12 N 2.77 -0.34 -6.21 4.02 2.43 -1.74 -3.45 114.38 111.87 1b0g h ARG 12 Ca -0.41 0.02 -0.55 0.00 -0.81 0.00 0.00 59.98 58.23 1b0g h ARG 12 Cb 1.23 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.77 1b0g h ARG 12 CO 0.56 -0.17 -0.62 -1.01 -1.51 0.00 0.00 179.97 177.21 1b0g s HIS 13 N -5.84 2.79 0.10 2.20 3.76 -1.26 -5.06 115.29 111.98 1b0g s HIS 13 Ca -0.15 -0.19 -0.34 0.00 -0.15 0.00 0.00 55.06 54.23 1b0g s HIS 13 Cb 0.04 -1.25 -0.14 0.00 1.11 0.00 0.00 32.58 32.35 1b0g s HIS 13 CO 0.63 0.60 1.63 -2.30 -0.85 0.00 0.00 174.74 174.45 1b0g n PRO 14 N -0.90 2.09 -1.75 8.40 -0.02 -1.26 -4.85 135.00 136.70 1b0g n PRO 14 Ca -0.07 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 1b0g n PRO 14 Cb 0.58 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 1b0g n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b0g s ALA 15 N 1.60 3.22 -0.19 3.55 0.00 -1.26 -4.96 121.76 123.72 1b0g s ALA 15 Ca 0.82 0.95 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1b0g s ALA 15 Cb -0.70 -3.92 0.05 0.00 0.00 0.00 0.00 23.12 18.54 1b0g s ALA 15 CO 0.42 -2.07 -0.06 -1.21 0.00 0.00 0.00 175.76 172.83 1b0g s GLU 16 N 5.15 1.60 0.33 0.00 2.02 -1.26 -5.10 118.70 121.44 1b0g s GLU 16 Ca 0.89 -0.71 -0.28 0.00 0.02 0.00 0.00 54.97 54.89 1b0g s GLU 16 Cb -0.35 -2.26 -0.13 0.00 0.10 0.00 0.00 34.13 31.49 1b0g s GLU 16 CO 0.36 -0.48 1.18 0.09 0.02 0.00 0.00 175.26 176.43 1b0g n ASN 17 N 4.78 2.16 0.00 -0.19 3.02 -1.26 -1.93 115.26 121.84 1b0g n ASN 17 Ca -0.13 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 1b0g n ASN 17 Cb 0.47 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1b0g n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0g n GLY 18 N 0.95 2.72 3.79 7.41 0.00 -0.61 -4.99 105.19 114.45 1b0g n GLY 18 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1b0g n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0g s LYS 19 N -0.33 3.90 0.47 1.61 1.02 -0.81 -4.96 119.74 120.63 1b0g s LYS 19 Ca 0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 1b0g s LYS 19 Cb 0.00 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.91 1b0g s LYS 19 CO 0.00 0.49 1.33 -1.54 -0.92 0.00 0.00 175.35 174.71 1b0g s SER 20 N -0.20 5.83 0.00 2.83 1.04 -1.26 -3.80 113.70 118.13 1b0g s SER 20 Ca 0.11 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.23 1b0g s SER 20 Cb -0.12 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1b0g s SER 20 CO 0.01 -1.18 0.00 -3.20 0.98 0.00 0.00 173.24 169.85 1b0g n ASN 21 N -0.45 0.00 -3.81 7.02 2.85 0.27 -4.95 115.26 116.19 1b0g n ASN 21 Ca 0.07 -0.34 -0.18 0.00 -0.11 0.00 0.00 54.58 54.01 1b0g n ASN 21 Cb 0.44 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.30 1b0g n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1b0g s PHE 22 N -4.46 0.37 -0.21 1.20 0.40 -1.26 -0.88 117.98 113.14 1b0g s PHE 22 Ca 0.00 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.15 1b0g s PHE 22 Cb 0.00 -0.48 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1b0g s PHE 22 CO 0.00 -0.16 0.42 -1.17 0.70 0.00 0.00 175.22 175.01 1b0g s LEU 23 N 1.21 4.14 0.19 -0.37 2.96 0.41 -1.78 118.68 125.44 1b0g s LEU 23 Ca -0.07 0.53 0.09 0.00 -0.22 0.00 0.00 54.13 54.46 1b0g s LEU 23 Cb -0.13 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.97 1b0g s LEU 23 CO -0.02 -0.11 -0.07 0.20 -1.32 0.00 0.00 176.35 175.04 1b0g s ASN 24 N 1.11 4.38 -0.26 3.68 0.01 0.24 -1.89 114.94 122.20 1b0g s ASN 24 Ca 0.20 -0.56 -0.03 0.00 -0.71 0.00 0.00 52.86 51.76 1b0g s ASN 24 Cb -0.15 -0.79 0.11 0.00 0.41 0.00 0.00 41.25 40.83 1b0g s ASN 24 CO 0.08 0.09 0.20 0.00 -1.51 0.00 0.00 177.10 175.96 1b0g s TYR 26 N 2.24 3.22 -0.13 0.00 5.04 0.67 -1.37 117.35 127.03 1b0g s TYR 26 Ca 0.08 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 1b0g s TYR 26 Cb -0.15 -2.73 -0.02 0.00 0.35 0.00 0.00 41.96 39.41 1b0g s TYR 26 CO -0.28 -0.38 -0.11 0.14 -1.34 0.00 0.00 175.55 173.58 1b0g s VAL 27 N 2.21 3.26 0.28 3.14 -7.23 -0.78 -1.40 120.40 119.88 1b0g s VAL 27 Ca 0.17 -0.59 -0.15 0.00 -1.81 0.00 0.00 61.98 59.60 1b0g s VAL 27 Cb -0.16 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1b0g s VAL 27 CO 0.11 0.52 0.58 -0.94 -0.31 0.00 0.00 175.10 175.07 1b0g s SER 28 N 0.27 -0.04 -0.31 4.85 1.04 -1.02 -0.98 113.70 117.52 1b0g s SER 28 Ca -0.08 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1b0g s SER 28 Cb -0.15 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1b0g s SER 28 CO 0.05 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.60 1b0g n GLY 29 N -0.44 0.55 3.97 7.32 0.00 -0.38 -0.27 105.19 115.93 1b0g n GLY 29 Ca -0.03 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1b0g n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b0g s PHE 30 N -1.85 3.21 -0.28 1.61 -0.71 -1.24 -4.13 117.98 114.59 1b0g s PHE 30 Ca 0.00 -0.15 -0.18 0.00 -1.04 0.00 0.00 56.93 55.56 1b0g s PHE 30 Cb 0.00 -1.81 0.12 0.00 -1.21 0.00 0.00 43.02 40.12 1b0g s PHE 30 CO 0.00 0.18 0.90 -1.58 -1.34 0.00 0.00 175.22 173.38 1b0g s HIS 31 N -2.12 -0.69 0.51 3.49 2.46 -0.58 -1.78 115.29 116.58 1b0g s HIS 31 Ca 0.40 1.44 -0.09 0.00 0.47 0.00 0.00 55.06 57.29 1b0g s HIS 31 Cb -0.09 0.42 0.12 0.00 -0.13 0.00 0.00 32.58 32.90 1b0g s HIS 31 CO 0.30 -0.34 0.50 -0.35 -2.47 0.00 0.00 174.74 172.37 1b0g n PRO 32 N 3.55 -1.65 0.23 2.88 -0.04 -1.26 0.60 135.00 139.32 1b0g n PRO 32 Ca -0.18 -0.79 0.11 0.00 -0.04 0.00 0.00 63.50 62.61 1b0g n PRO 32 Cb 0.58 -0.68 0.55 0.00 -0.04 0.00 0.00 33.50 33.90 1b0g n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1b0g h SER 33 N -1.54 0.00 -3.02 3.54 4.64 -1.98 -3.44 113.55 111.74 1b0g h SER 33 Ca -0.18 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.61 1b0g h SER 33 Cb 0.54 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.70 1b0g h SER 33 CO 0.12 0.20 0.94 -1.81 -0.87 0.00 0.00 176.83 175.41 1b0g s ASP 34 N -6.18 6.39 -0.29 4.97 1.11 -1.26 -4.96 116.67 116.45 1b0g s ASP 34 Ca -0.01 2.90 -0.22 0.00 0.18 0.00 0.00 52.55 55.40 1b0g s ASP 34 Cb 0.11 -2.62 0.14 0.00 1.07 0.00 0.00 42.92 41.63 1b0g s ASP 34 CO 0.62 -0.94 1.09 -0.51 1.18 0.00 0.00 175.17 176.61 1b0g s ILE 35 N 0.57 0.00 -0.31 0.77 2.07 -1.26 -4.73 121.20 118.30 1b0g s ILE 35 Ca 0.69 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.84 1b0g s ILE 35 Cb -0.48 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.11 1b0g s ILE 35 CO 0.40 0.00 0.14 -0.70 -1.91 0.00 0.00 174.94 172.87 1b0g s GLU 36 N 0.56 3.22 -0.08 3.50 -6.30 -0.20 -4.96 118.70 114.46 1b0g s GLU 36 Ca -0.00 -0.79 0.04 0.00 -2.50 0.00 0.00 54.97 51.72 1b0g s GLU 36 Cb -0.04 -3.52 -0.00 0.00 0.00 0.00 0.00 34.13 30.56 1b0g s GLU 36 CO -0.10 -0.45 -0.22 0.08 0.02 0.00 0.00 175.26 174.59 1b0g s VAL 37 N 1.57 1.87 0.03 3.70 1.01 -1.26 -0.41 120.40 126.92 1b0g s VAL 37 Ca 0.04 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.11 1b0g s VAL 37 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1b0g s VAL 37 CO 0.05 0.52 -0.09 -1.81 0.00 0.00 0.00 175.10 173.78 1b0g s ASP 38 N 0.20 1.00 -0.14 3.32 1.01 0.32 -4.99 116.67 117.38 1b0g s ASP 38 Ca -0.12 -0.42 -0.05 0.00 0.71 0.00 0.00 52.55 52.67 1b0g s ASP 38 Cb -0.16 -0.02 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 1b0g s ASP 38 CO 0.06 -0.08 0.02 -0.76 0.21 0.00 0.00 175.17 174.62 1b0g s LEU 39 N -1.13 3.61 0.00 1.23 1.43 -1.26 -0.80 118.68 121.76 1b0g s LEU 39 Ca -0.04 0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1b0g s LEU 39 Cb -0.08 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1b0g s LEU 39 CO 0.01 0.24 -0.24 -0.76 0.23 0.00 0.00 176.35 175.82 1b0g s LEU 40 N -0.05 2.09 -0.26 1.79 1.43 -0.15 -0.75 118.68 122.78 1b0g s LEU 40 Ca 0.04 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1b0g s LEU 40 Cb -0.13 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.92 1b0g s LEU 40 CO 0.02 0.27 -0.08 -0.75 0.23 0.00 0.00 176.35 176.04 1b0g s LYS 41 N -0.80 2.56 -1.43 1.70 2.20 -0.11 -1.79 119.74 122.07 1b0g s LYS 41 Ca 0.10 -1.15 -0.08 0.00 -0.36 0.00 0.00 55.97 54.47 1b0g s LYS 41 Cb -0.09 -2.95 0.05 0.00 -1.51 0.00 0.00 37.83 33.32 1b0g s LYS 41 CO 0.00 -0.49 0.65 0.09 -0.36 0.00 0.00 175.35 175.25 1b0g n ASN 42 N 4.57 -4.91 0.00 1.43 3.02 0.73 -1.58 115.26 118.52 1b0g n ASN 42 Ca -0.15 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1b0g n ASN 42 Cb 0.45 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.63 1b0g n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b0g n GLY 43 N -1.43 3.11 3.79 7.41 0.00 -1.26 -5.03 105.19 111.78 1b0g n GLY 43 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1b0g n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b0g s GLU 44 N -0.38 4.06 0.35 1.61 4.04 -0.62 -4.99 118.70 122.78 1b0g s GLU 44 Ca 0.00 0.34 -0.28 0.00 0.04 0.00 0.00 54.97 55.07 1b0g s GLU 44 Cb 0.00 -3.31 -0.11 0.00 0.02 0.00 0.00 34.13 30.73 1b0g s GLU 44 CO 0.00 0.49 1.49 -2.13 -1.84 0.00 0.00 175.26 173.26 1b0g n ARG 45 N 2.58 2.61 -3.29 -4.83 0.63 -1.26 -0.93 116.66 112.16 1b0g n ARG 45 Ca -0.12 0.92 -0.38 0.00 -0.92 0.00 0.00 57.85 57.35 1b0g n ARG 45 Cb 0.52 -2.64 -0.06 0.00 0.45 0.00 0.00 32.46 30.73 1b0g n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1b0g s ILE 46 N -0.88 5.17 -0.04 5.15 1.01 0.07 -4.86 121.20 126.82 1b0g s ILE 46 Ca 0.56 0.98 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 1b0g s ILE 46 Cb -0.49 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 37.98 1b0g s ILE 46 CO 0.61 0.31 0.97 -0.33 0.00 0.00 0.00 174.94 176.49 1b0g h GLU 47 N 6.79 -0.24 -5.22 2.79 3.07 -1.94 -3.40 114.58 116.43 1b0g h GLU 47 Ca -0.40 0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 57.78 1b0g h GLU 47 Cb 1.18 0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 28.99 1b0g h GLU 47 CO 0.75 0.17 1.34 0.21 -1.40 0.00 0.00 179.01 180.08 1b0g s LYS 48 N -3.73 3.84 -0.10 2.33 2.36 -1.26 -4.94 119.74 118.24 1b0g s LYS 48 Ca -0.13 -2.00 0.02 0.00 -2.55 0.00 0.00 55.97 51.31 1b0g s LYS 48 Cb 0.01 -5.13 0.01 0.00 -1.05 0.00 0.00 37.83 31.66 1b0g s LYS 48 CO 0.50 -1.91 -0.17 0.08 1.55 0.00 0.00 175.35 175.40 1b0g s VAL 49 N 2.88 1.59 0.50 4.02 1.01 -1.26 -4.71 120.40 124.42 1b0g s VAL 49 Ca 0.42 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1b0g s VAL 49 Cb -0.02 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1b0g s VAL 49 CO -0.03 0.46 0.49 -1.61 0.00 0.00 0.00 175.10 174.41 1b0g s GLU 50 N 0.79 2.40 0.07 2.72 2.02 0.24 -4.90 118.70 122.04 1b0g s GLU 50 Ca -0.10 -1.71 -0.11 0.00 0.02 0.00 0.00 54.97 53.06 1b0g s GLU 50 Cb -0.16 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.72 1b0g s GLU 50 CO 0.01 -0.50 0.25 -3.38 0.02 0.00 0.00 175.26 171.67 1b0g s HIS 51 N -2.62 0.00 1.05 1.61 -3.43 -1.25 -0.40 115.29 110.26 1b0g s HIS 51 Ca 0.47 -0.28 -0.16 0.00 -0.80 0.00 0.00 55.06 54.29 1b0g s HIS 51 Cb -0.04 0.04 0.21 0.00 -1.43 0.00 0.00 32.58 31.36 1b0g s HIS 51 CO 0.28 -0.53 1.15 -1.54 -2.00 0.00 0.00 174.74 172.11 1b0g s SER 52 N -2.44 2.29 0.11 7.38 1.04 0.92 -4.91 113.70 118.08 1b0g s SER 52 Ca -0.00 0.75 -0.30 0.00 0.48 0.00 0.00 55.95 56.88 1b0g s SER 52 Cb 0.01 -1.13 -0.06 0.00 0.10 0.00 0.00 66.02 64.95 1b0g s SER 52 CO -0.07 -3.29 0.98 -1.81 0.98 0.00 0.00 173.24 170.03 1b0g s ASP 53 N -4.02 7.46 -0.14 7.02 1.01 -1.26 -4.69 116.67 122.04 1b0g s ASP 53 Ca 0.68 1.82 -0.34 0.00 0.71 0.00 0.00 52.55 55.42 1b0g s ASP 53 Cb -0.12 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.11 1b0g s ASP 53 CO 0.55 -0.10 1.93 -0.11 0.21 0.00 0.00 175.17 177.64 1b0g n LEU 54 N 2.85 3.25 -4.26 1.23 7.94 -1.26 -4.91 117.00 121.85 1b0g n LEU 54 Ca 0.03 0.88 -0.17 0.00 -1.11 0.00 0.00 56.01 55.64 1b0g n LEU 54 Cb 0.49 -1.36 -0.09 0.00 0.53 0.00 0.00 43.42 42.99 1b0g n LEU 54 CO 0.52 -0.18 -0.16 -0.55 -1.11 0.00 0.00 177.39 175.91 1b0g s SER 55 N 4.65 1.13 0.19 1.96 0.15 -1.24 -5.05 113.70 115.49 1b0g s SER 55 Ca 0.95 -1.62 -0.07 0.00 0.70 0.00 0.00 55.95 55.92 1b0g s SER 55 Cb -0.71 0.49 -0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1b0g s SER 55 CO 0.51 -0.98 0.27 0.72 1.20 0.00 0.00 173.24 174.96 1b0g s PHE 56 N -3.71 0.67 0.44 3.44 -0.71 -1.26 -1.40 117.98 115.45 1b0g s PHE 56 Ca 0.40 -0.99 0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1b0g s PHE 56 Cb 0.04 -0.19 0.09 0.00 -1.21 0.00 0.00 43.02 41.75 1b0g s PHE 56 CO 0.22 -0.75 0.61 0.43 -1.34 0.00 0.00 175.22 174.39 1b0g n SER 57 N -0.26 0.84 0.27 1.98 7.64 -0.07 -4.92 113.62 119.09 1b0g n SER 57 Ca -0.03 -1.71 0.18 0.00 1.01 0.00 0.00 58.87 58.33 1b0g n SER 57 Cb 0.64 -0.39 0.94 0.00 -1.01 0.00 0.00 64.21 64.39 1b0g n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1b0g h LYS 58 N 0.00 0.00 -0.66 1.43 1.57 -2.03 -0.15 116.57 116.73 1b0g h LYS 58 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1b0g h LYS 58 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1b0g h LYS 58 CO 0.22 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.70 1b0g n ASP 59 N -2.76 4.72 0.00 0.86 5.75 -1.26 -4.93 116.55 118.92 1b0g n ASP 59 Ca -0.02 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.32 1b0g n ASP 59 Cb 0.08 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1b0g n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b0g n TRP 60 N 1.13 0.00 -2.49 2.11 7.02 -0.07 -4.98 117.44 120.17 1b0g n TRP 60 Ca 0.26 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.32 1b0g n TRP 60 Cb 0.88 -0.90 -0.04 0.00 -2.42 0.00 0.00 31.31 28.84 1b0g n TRP 60 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1b0g s SER 61 N -2.31 7.21 0.82 -0.99 0.01 -1.26 -4.70 113.70 112.47 1b0g s SER 61 Ca 0.00 2.06 -0.12 0.00 1.31 0.00 0.00 55.95 59.20 1b0g s SER 61 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.72 1b0g s SER 61 CO 0.00 -0.30 1.11 -0.36 0.41 0.00 0.00 173.24 174.10 1b0g s PHE 62 N 0.19 2.78 -0.26 2.43 0.08 -0.73 -0.89 117.98 121.58 1b0g s PHE 62 Ca 0.52 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 58.40 1b0g s PHE 62 Cb -0.29 -3.21 0.07 0.00 -0.57 0.00 0.00 43.02 39.02 1b0g s PHE 62 CO 0.33 -1.89 0.67 1.52 -0.10 0.00 0.00 175.22 175.75 1b0g s TYR 63 N -3.22 -0.80 0.02 0.36 -0.85 -0.50 -1.25 117.35 111.11 1b0g s TYR 63 Ca 0.61 1.87 -0.06 0.00 -0.52 0.00 0.00 57.07 58.97 1b0g s TYR 63 Cb -0.14 0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 1b0g s TYR 63 CO 0.54 -0.39 0.12 -0.51 -1.52 0.00 0.00 175.55 173.78 1b0g s LEU 64 N 0.63 1.68 -0.21 -3.49 1.43 -0.15 -3.63 118.68 114.94 1b0g s LEU 64 Ca -0.02 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1b0g s LEU 64 Cb -0.05 0.64 0.02 0.00 0.03 0.00 0.00 46.19 46.83 1b0g s LEU 64 CO -0.03 -0.44 -0.14 -0.22 0.23 0.00 0.00 176.35 175.74 1b0g s LEU 65 N -1.77 2.56 -0.20 1.79 2.96 -1.26 -1.86 118.68 120.90 1b0g s LEU 65 Ca -0.10 -0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 53.00 1b0g s LEU 65 Cb -0.04 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1b0g s LEU 65 CO -0.02 -0.04 0.10 -0.31 -1.32 0.00 0.00 176.35 174.76 1b0g s TYR 66 N 1.30 3.30 0.05 5.38 1.51 -0.47 -0.06 117.35 128.37 1b0g s TYR 66 Ca 0.03 0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1b0g s TYR 66 Cb -0.15 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1b0g s TYR 66 CO -0.09 0.15 0.08 1.52 -1.11 0.00 0.00 175.55 176.10 1b0g s TYR 67 N 0.55 0.27 -0.05 2.71 1.13 0.47 -0.46 117.35 121.95 1b0g s TYR 67 Ca 0.05 -0.65 -0.24 0.00 -1.41 0.00 0.00 57.07 54.83 1b0g s TYR 67 Cb -0.12 -0.19 0.05 0.00 -1.10 0.00 0.00 41.96 40.60 1b0g s TYR 67 CO 0.00 -0.40 0.53 -0.08 -2.51 0.00 0.00 175.55 173.10 1b0g s THR 68 N -3.10 0.02 0.13 -3.49 -1.32 -0.79 -0.59 115.64 106.50 1b0g s THR 68 Ca -0.01 -0.17 -0.30 0.00 -1.21 0.00 0.00 61.69 60.00 1b0g s THR 68 Cb 0.02 -0.84 -0.06 0.00 -1.51 0.00 0.00 72.50 70.10 1b0g s THR 68 CO -0.07 -0.10 1.08 -1.61 -2.21 0.00 0.00 174.62 171.71 1b0g s GLU 69 N -1.11 4.58 0.11 7.08 2.02 -1.26 -0.44 118.70 129.68 1b0g s GLU 69 Ca -0.11 1.64 -0.14 0.00 0.02 0.00 0.00 54.97 56.38 1b0g s GLU 69 Cb -0.02 -3.33 0.03 0.00 0.10 0.00 0.00 34.13 30.91 1b0g s GLU 69 CO 0.07 0.04 0.35 -0.59 0.02 0.00 0.00 175.26 175.14 1b0g s PHE 70 N 0.15 -0.12 -0.30 1.61 -0.71 -0.05 -4.87 117.98 113.68 1b0g s PHE 70 Ca 0.51 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.23 1b0g s PHE 70 Cb -0.27 0.17 0.08 0.00 -1.21 0.00 0.00 43.02 41.80 1b0g s PHE 70 CO 0.32 -0.65 -0.00 0.99 -1.34 0.00 0.00 175.22 174.54 1b0g s THR 71 N -3.67 2.06 0.70 -4.49 2.01 -1.26 0.94 115.64 111.92 1b0g s THR 71 Ca 0.02 -1.96 -0.16 0.00 0.31 0.00 0.00 61.69 59.90 1b0g s THR 71 Cb 0.02 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1b0g s THR 71 CO -0.11 -0.39 0.59 -0.81 -0.69 0.00 0.00 174.62 173.21 1b0g n PRO 72 N 4.39 0.37 -4.10 4.92 -0.04 -1.25 -4.71 135.00 134.59 1b0g n PRO 72 Ca -0.03 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1b0g n PRO 72 Cb 0.42 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1b0g n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b0g s THR 73 N -1.86 0.48 0.40 0.52 2.01 -1.26 -1.58 115.64 114.35 1b0g s THR 73 Ca 0.67 -1.57 0.08 0.00 0.31 0.00 0.00 61.69 61.18 1b0g s THR 73 Cb -0.36 -1.21 0.28 0.00 0.01 0.00 0.00 72.50 71.22 1b0g s THR 73 CO 0.56 -0.73 2.03 -0.08 -0.69 0.00 0.00 174.62 175.71 1b0g h GLU 74 N 3.59 0.57 -0.02 4.92 4.81 -1.97 -3.20 114.58 123.29 1b0g h GLU 74 Ca -0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1b0g h GLU 74 Cb 1.17 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1b0g h GLU 74 CO 0.56 0.38 0.00 1.63 -0.73 0.00 0.00 179.01 180.85 1b0g n LYS 75 N -4.47 0.42 -2.93 1.92 5.02 -1.26 -5.00 118.16 111.85 1b0g n LYS 75 Ca 0.06 -1.10 -0.40 0.00 -2.02 0.00 0.00 58.31 54.84 1b0g n LYS 75 Cb 0.13 -1.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.91 1b0g n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b0g s ASP 76 N -0.82 7.28 -0.11 4.39 1.01 -1.21 -5.05 116.67 122.15 1b0g s ASP 76 Ca 0.12 1.53 -0.01 0.00 0.71 0.00 0.00 52.55 54.90 1b0g s ASP 76 Cb 0.08 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 1b0g s ASP 76 CO 0.12 0.02 -0.08 -1.61 0.21 0.00 0.00 175.17 173.83 1b0g s GLU 77 N -0.14 3.21 0.14 8.23 2.02 -1.26 -4.73 118.70 126.16 1b0g s GLU 77 Ca 0.40 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.89 1b0g s GLU 77 Cb -0.21 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1b0g s GLU 77 CO 0.24 0.40 -0.19 0.71 0.02 0.00 0.00 175.26 176.45 1b0g s TYR 78 N -0.11 1.76 0.26 1.61 1.51 -1.26 -0.19 117.35 120.92 1b0g s TYR 78 Ca 0.01 -0.46 -0.14 0.00 -1.01 0.00 0.00 57.07 55.47 1b0g s TYR 78 Cb -0.13 -0.91 0.00 0.00 -0.11 0.00 0.00 41.96 40.81 1b0g s TYR 78 CO 0.03 0.27 0.53 0.00 -1.11 0.00 0.00 175.55 175.27 1b0g s ALA 79 N -1.79 -0.36 -0.09 3.71 0.00 -0.74 -0.31 121.76 122.17 1b0g s ALA 79 Ca 0.12 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1b0g s ALA 79 Cb -0.07 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1b0g s ALA 79 CO 0.05 -0.89 -0.19 0.00 0.00 0.00 0.00 175.76 174.74 1b0g s ARG 81 N 0.55 3.35 0.07 0.00 3.52 0.02 -1.06 118.95 125.39 1b0g s ARG 81 Ca -0.16 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 54.87 1b0g s ARG 81 Cb -0.17 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.37 1b0g s ARG 81 CO 0.05 -0.04 -0.23 0.08 -0.81 0.00 0.00 175.30 174.35 1b0g s VAL 82 N 1.02 1.91 0.00 7.11 1.01 0.02 -0.52 120.40 130.95 1b0g s VAL 82 Ca -0.00 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.56 1b0g s VAL 82 Cb -0.15 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1b0g s VAL 82 CO -0.01 0.18 -0.01 0.21 0.00 0.00 0.00 175.10 175.48 1b0g s ASN 83 N -1.48 0.05 0.16 3.32 3.04 0.46 -0.22 114.94 120.27 1b0g s ASN 83 Ca 0.10 -0.10 -0.17 0.00 0.04 0.00 0.00 52.86 52.72 1b0g s ASN 83 Cb -0.10 0.02 0.04 0.00 -1.54 0.00 0.00 41.25 39.67 1b0g s ASN 83 CO 0.03 -0.06 0.48 -2.28 -3.04 0.00 0.00 177.10 172.23 1b0g s HIS 84 N -0.29 -0.21 0.58 0.43 2.46 -1.26 -1.03 115.29 115.97 1b0g s HIS 84 Ca -0.03 -0.11 0.28 0.00 0.47 0.00 0.00 55.06 55.67 1b0g s HIS 84 Cb -0.02 0.35 1.54 0.00 -0.13 0.00 0.00 32.58 34.32 1b0g s HIS 84 CO -0.00 -0.81 2.02 -0.39 -2.47 0.00 0.00 174.74 173.09 1b0g h VAL 85 N 2.25 0.50 -0.28 0.89 -1.51 -1.95 0.26 116.25 116.42 1b0g h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1b0g h VAL 85 Cb 1.27 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1b0g h VAL 85 CO 0.42 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.11 1b0g n THR 86 N -3.91 0.42 -3.94 7.19 -2.24 -1.26 -4.75 114.28 105.79 1b0g n THR 86 Ca 0.05 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 1b0g n THR 86 Cb 0.47 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.69 1b0g n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b0g s LEU 87 N -1.00 1.81 0.41 3.22 1.43 0.08 -4.97 118.68 119.65 1b0g s LEU 87 Ca 0.19 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1b0g s LEU 87 Cb 0.10 -1.04 0.86 0.00 0.03 0.00 0.00 46.19 46.15 1b0g s LEU 87 CO 0.12 -0.15 1.99 0.77 0.23 0.00 0.00 176.35 179.31 1b0g h SER 88 N 8.07 0.29 -4.99 2.29 4.64 -1.85 -3.42 113.55 118.58 1b0g h SER 88 Ca -0.27 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.85 1b0g h SER 88 Cb 1.11 -0.07 -0.21 0.00 -0.31 0.00 0.00 62.40 62.92 1b0g h SER 88 CO 0.44 0.33 -0.67 -1.10 -0.87 0.00 0.00 176.83 174.96 1b0g s GLN 89 N -5.03 0.35 -0.12 4.77 -0.21 -1.26 -5.11 119.66 113.04 1b0g s GLN 89 Ca -0.06 -0.61 -0.33 0.00 0.02 0.00 0.00 55.36 54.38 1b0g s GLN 89 Cb 0.16 0.13 -0.10 0.00 1.00 0.00 0.00 33.01 34.20 1b0g s GLN 89 CO 0.73 -0.06 2.00 -0.35 -2.12 0.00 0.00 175.29 175.48 1b0g n PRO 90 N 1.51 2.12 -2.47 2.91 -0.04 -1.26 -4.92 135.00 132.85 1b0g n PRO 90 Ca -0.23 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 1b0g n PRO 90 Cb 0.55 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 1b0g n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1b0g s LYS 91 N 4.81 4.38 -0.31 0.54 2.20 0.69 -4.76 119.74 127.29 1b0g s LYS 91 Ca 0.96 1.68 -0.05 0.00 -0.36 0.00 0.00 55.97 58.19 1b0g s LYS 91 Cb -0.61 -3.50 0.03 0.00 -1.51 0.00 0.00 37.83 32.24 1b0g s LYS 91 CO 0.47 -0.38 0.07 0.42 -0.36 0.00 0.00 175.35 175.57 1b0g s ILE 92 N 1.86 3.61 -0.24 5.43 1.01 -1.26 -0.80 121.20 130.81 1b0g s ILE 92 Ca 0.56 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1b0g s ILE 92 Cb -0.26 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1b0g s ILE 92 CO 0.24 -0.07 0.06 -0.69 0.00 0.00 0.00 174.94 174.49 1b0g s VAL 93 N 1.39 4.28 0.48 2.92 1.01 -0.23 -4.94 120.40 125.31 1b0g s VAL 93 Ca -0.01 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 1b0g s VAL 93 Cb -0.19 -3.00 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1b0g s VAL 93 CO 0.01 0.35 0.98 -0.54 0.00 0.00 0.00 175.10 175.90 1b0g s LYS 94 N 1.55 4.01 -0.02 2.72 1.02 -1.26 -0.68 119.74 127.09 1b0g s LYS 94 Ca 0.06 1.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.91 1b0g s LYS 94 Cb -0.15 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 1b0g s LYS 94 CO 0.03 -0.22 0.80 -0.46 -0.92 0.00 0.00 175.35 174.58 1b0g s TRP 95 N -2.29 3.64 -0.19 3.18 -0.00 0.57 -4.86 118.94 118.98 1b0g s TRP 95 Ca 0.62 1.44 0.00 0.00 -0.00 0.00 0.00 56.10 58.16 1b0g s TRP 95 Cb -0.11 -2.90 0.05 0.00 -0.00 0.00 0.00 33.47 30.51 1b0g s TRP 95 CO 0.21 0.11 -0.06 0.34 -0.00 0.00 0.00 176.95 177.55 1b0g s ASP 96 N 0.63 3.25 0.34 5.86 2.15 -1.26 -4.73 116.67 122.90 1b0g s ASP 96 Ca 0.42 -0.86 0.18 0.00 0.43 0.00 0.00 52.55 52.71 1b0g s ASP 96 Cb -0.19 -1.04 0.97 0.00 -0.30 0.00 0.00 42.92 42.35 1b0g s ASP 96 CO 0.22 -0.20 1.49 0.08 -0.17 0.00 0.00 175.17 176.59 1b0g h ARG 97 N 8.05 0.00 -0.17 4.34 0.11 -1.95 -0.18 114.38 124.58 1b0g h ARG 97 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1b0g h ARG 97 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1b0g h ARG 97 CO 0.42 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.24 1b0g n ASP 98 N -2.19 1.67 0.00 0.08 8.00 -1.26 -4.85 116.55 118.00 1b0g n ASP 98 Ca -0.01 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.78 1b0g n ASP 98 Cb 0.20 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1b0g n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04