#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsw s ILE 1 N 0.00 2.65 -0.08 2.02 -4.36 -1.26 -5.00 121.20 115.17 3gsw s ILE 1 Ca 0.00 0.33 -0.00 0.00 -0.26 0.00 0.00 60.65 60.72 3gsw s ILE 1 Cb 0.00 -3.21 0.02 0.00 1.25 0.00 0.00 42.46 40.52 3gsw s ILE 1 CO 0.00 0.01 -0.04 -1.10 0.24 0.00 0.00 174.94 174.05 3gsw s GLN 2 N 1.87 1.01 -0.10 0.37 -0.21 -1.26 -4.61 119.66 116.72 3gsw s GLN 2 Ca 0.74 -0.08 0.03 0.00 0.02 0.00 0.00 55.36 56.06 3gsw s GLN 2 Cb -0.44 -1.16 -0.01 0.00 1.00 0.00 0.00 33.01 32.41 3gsw s GLN 2 CO 0.32 -0.22 -0.20 1.03 -2.12 0.00 0.00 175.29 174.10 3gsw s ARG 3 N 1.57 3.03 0.29 2.91 0.52 -0.59 -4.95 118.95 121.73 3gsw s ARG 3 Ca 0.00 -0.82 -0.26 0.00 -0.52 0.00 0.00 55.73 54.14 3gsw s ARG 3 Cb -0.13 -2.38 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 3gsw s ARG 3 CO -0.04 0.25 0.90 -0.08 0.02 0.00 0.00 175.30 176.35 3gsw s THR 4 N 0.20 4.26 0.22 0.02 -1.32 -1.26 -1.88 115.64 115.88 3gsw s THR 4 Ca -0.12 1.77 -0.30 0.00 -1.21 0.00 0.00 61.69 61.83 3gsw s THR 4 Cb -0.16 -4.04 -0.09 0.00 -1.51 0.00 0.00 72.50 66.70 3gsw s THR 4 CO 0.07 0.22 1.25 -2.16 -2.21 0.00 0.00 174.62 171.79 3gsw s PRO 5 N -1.88 4.44 0.45 7.08 0.04 -1.26 -4.31 135.00 139.55 3gsw s PRO 5 Ca 0.47 2.00 -0.21 0.00 0.04 0.00 0.00 61.00 63.30 3gsw s PRO 5 Cb -0.19 -3.19 -0.10 0.00 0.04 0.00 0.00 34.50 31.06 3gsw s PRO 5 CO 0.24 -0.15 0.98 0.15 0.04 0.00 0.00 177.00 178.27 3gsw s LYS 6 N -0.52 4.08 -0.03 4.56 1.02 0.11 -4.89 119.74 124.07 3gsw s LYS 6 Ca 0.53 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.75 3gsw s LYS 6 Cb -0.35 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3gsw s LYS 6 CO 0.40 -0.17 -0.00 0.42 -0.92 0.00 0.00 175.35 175.08 3gsw s ILE 7 N -2.07 0.23 -0.05 2.17 1.01 -1.26 -1.82 121.20 119.41 3gsw s ILE 7 Ca 0.63 0.07 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3gsw s ILE 7 Cb -0.12 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.03 3gsw s ILE 7 CO 0.16 0.16 -0.15 -1.10 0.00 0.00 0.00 174.94 174.02 3gsw s GLN 8 N 1.07 1.72 -0.13 2.79 -0.21 -0.62 -4.99 119.66 119.29 3gsw s GLN 8 Ca -0.09 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 54.80 3gsw s GLN 8 Cb -0.14 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.42 3gsw s GLN 8 CO -0.02 0.14 -0.20 0.08 -2.12 0.00 0.00 175.29 173.17 3gsw s VAL 9 N 0.31 2.28 0.19 1.09 1.01 -1.26 -0.47 120.40 123.56 3gsw s VAL 9 Ca -0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.74 3gsw s VAL 9 Cb -0.13 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.38 3gsw s VAL 9 CO 0.03 0.54 0.82 -0.72 0.00 0.00 0.00 175.10 175.77 3gsw s TYR 10 N 0.63 -0.21 0.15 5.22 1.13 -0.79 -4.53 117.35 118.94 3gsw s TYR 10 Ca -0.11 -0.13 -0.02 0.00 -1.41 0.00 0.00 57.07 55.40 3gsw s TYR 10 Cb -0.16 0.65 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 3gsw s TYR 10 CO 0.03 -0.97 0.34 -1.54 -2.51 0.00 0.00 175.55 170.89 3gsw s SER 11 N -2.88 6.41 0.09 -0.18 1.04 -1.26 -0.02 113.70 116.90 3gsw s SER 11 Ca 0.10 0.42 -0.19 0.00 0.48 0.00 0.00 55.95 56.76 3gsw s SER 11 Cb -0.03 -2.02 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 3gsw s SER 11 CO 0.02 0.04 1.54 -0.09 0.98 0.00 0.00 173.24 175.73 3gsw h ARG 12 N 2.53 0.43 -6.20 4.02 2.43 -1.41 -3.45 114.38 112.73 3gsw h ARG 12 Ca -0.47 -0.12 -0.56 0.00 -0.81 0.00 0.00 59.98 58.02 3gsw h ARG 12 Cb 1.18 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 3gsw h ARG 12 CO 0.71 0.57 -0.65 -1.01 -1.51 0.00 0.00 179.97 178.09 3gsw s HIS 13 N -5.09 2.66 0.07 2.20 3.76 -1.26 -5.03 115.29 112.60 3gsw s HIS 13 Ca -0.14 -0.24 -0.36 0.00 -0.15 0.00 0.00 55.06 54.18 3gsw s HIS 13 Cb 0.08 -1.20 -0.15 0.00 1.11 0.00 0.00 32.58 32.41 3gsw s HIS 13 CO 0.74 0.62 1.47 -2.30 -0.85 0.00 0.00 174.74 174.42 3gsw n PRO 14 N -0.88 1.52 -2.84 8.40 -0.02 -1.26 -4.86 135.00 135.05 3gsw n PRO 14 Ca -0.06 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 3gsw n PRO 14 Cb 0.59 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3gsw n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gsw s ALA 15 N 1.02 3.47 -0.03 3.55 0.00 -1.26 -5.03 121.76 123.48 3gsw s ALA 15 Ca 0.84 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.96 3gsw s ALA 15 Cb -0.86 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.00 3gsw s ALA 15 CO 0.46 -0.59 -0.02 -1.21 0.00 0.00 0.00 175.76 174.39 3gsw s GLU 16 N 2.00 0.45 0.22 0.00 2.02 -1.26 -5.13 118.70 117.00 3gsw s GLU 16 Ca 0.41 -0.01 -0.32 0.00 0.02 0.00 0.00 54.97 55.08 3gsw s GLU 16 Cb -0.17 -0.56 -0.13 0.00 0.10 0.00 0.00 34.13 33.37 3gsw s GLU 16 CO 0.15 -0.09 1.52 0.09 0.02 0.00 0.00 175.26 176.95 3gsw n ASN 17 N 3.94 3.12 0.00 -0.19 3.02 -1.26 -2.03 115.26 121.85 3gsw n ASN 17 Ca -0.25 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 3gsw n ASN 17 Cb 0.52 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3gsw n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsw n GLY 18 N 2.73 0.81 3.25 7.41 0.00 0.30 -5.00 105.19 114.69 3gsw n GLY 18 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3gsw n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gsw s LYS 19 N -0.16 3.23 0.37 1.61 1.02 -0.86 -4.99 119.74 119.96 3gsw s LYS 19 Ca 0.00 -0.72 -0.25 0.00 0.02 0.00 0.00 55.97 55.01 3gsw s LYS 19 Cb 0.00 -2.74 -0.12 0.00 -0.52 0.00 0.00 37.83 34.45 3gsw s LYS 19 CO 0.00 -0.09 0.97 -1.13 -0.92 0.00 0.00 175.35 174.18 3gsw n SER 20 N 4.38 1.10 -1.84 2.83 3.41 -1.26 -4.31 113.62 117.94 3gsw n SER 20 Ca -0.19 1.08 -0.05 0.00 -0.26 0.00 0.00 58.87 59.45 3gsw n SER 20 Cb 0.51 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 3gsw n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gsw n ASN 21 N 0.84 -0.91 -4.14 4.04 2.85 0.14 -4.98 115.26 113.10 3gsw n ASN 21 Ca 0.09 -1.76 -0.25 0.00 -0.11 0.00 0.00 54.58 52.55 3gsw n ASN 21 Cb 0.37 1.55 -0.16 0.00 1.24 0.00 0.00 39.78 42.78 3gsw n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3gsw s PHE 22 N -5.34 1.60 -0.21 1.20 0.08 -1.26 -0.92 117.98 113.13 3gsw s PHE 22 Ca 0.09 -0.40 -0.10 0.00 0.12 0.00 0.00 56.93 56.65 3gsw s PHE 22 Cb -0.02 -1.06 -0.05 0.00 -0.57 0.00 0.00 43.02 41.32 3gsw s PHE 22 CO 0.07 -0.11 0.13 -1.17 -0.10 0.00 0.00 175.22 174.04 3gsw s LEU 23 N -0.13 4.10 -0.04 -0.37 2.96 0.35 -0.92 118.68 124.62 3gsw s LEU 23 Ca 0.00 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.11 3gsw s LEU 23 Cb -0.09 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 3gsw s LEU 23 CO 0.01 0.14 -0.12 0.20 -1.32 0.00 0.00 176.35 175.26 3gsw s ASN 24 N 0.57 4.22 -0.21 3.68 0.01 0.96 -1.41 114.94 122.77 3gsw s ASN 24 Ca 0.07 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.07 3gsw s ASN 24 Cb -0.12 -0.94 0.05 0.00 0.41 0.00 0.00 41.25 40.65 3gsw s ASN 24 CO 0.00 0.34 -0.10 0.00 -1.51 0.00 0.00 177.10 175.83 3gsw s TYR 26 N 1.37 3.20 -0.11 0.00 5.04 0.38 -0.64 117.35 126.60 3gsw s TYR 26 Ca -0.02 -0.40 -0.00 0.00 -2.44 0.00 0.00 57.07 54.20 3gsw s TYR 26 Cb -0.17 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 39.71 3gsw s TYR 26 CO -0.08 -0.41 -0.10 0.14 -1.34 0.00 0.00 175.55 173.76 3gsw s VAL 27 N 1.66 3.37 0.24 3.14 -7.23 -0.25 -1.59 120.40 119.74 3gsw s VAL 27 Ca 0.05 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.53 3gsw s VAL 27 Cb -0.17 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.36 3gsw s VAL 27 CO 0.08 0.54 0.45 -0.94 -0.31 0.00 0.00 175.10 174.92 3gsw s SER 28 N -0.07 -0.07 -0.77 4.85 1.04 -0.75 -0.87 113.70 117.05 3gsw s SER 28 Ca -0.01 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3gsw s SER 28 Cb -0.14 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3gsw s SER 28 CO 0.03 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3gsw n GLY 29 N -0.37 0.92 3.77 7.32 0.00 -0.76 0.06 105.19 116.14 3gsw n GLY 29 Ca -0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 3gsw n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gsw s PHE 30 N -2.18 3.05 -0.25 1.61 -0.71 -1.20 -4.32 117.98 113.98 3gsw s PHE 30 Ca 0.00 -0.08 -0.21 0.00 -1.04 0.00 0.00 56.93 55.60 3gsw s PHE 30 Cb 0.00 -1.44 0.07 0.00 -1.21 0.00 0.00 43.02 40.44 3gsw s PHE 30 CO 0.00 0.53 0.65 -1.58 -1.34 0.00 0.00 175.22 173.47 3gsw s HIS 31 N -1.88 -0.77 1.04 3.49 2.46 -0.79 -0.80 115.29 118.04 3gsw s HIS 31 Ca 0.31 1.80 -0.17 0.00 0.47 0.00 0.00 55.06 57.46 3gsw s HIS 31 Cb -0.09 0.32 0.26 0.00 -0.13 0.00 0.00 32.58 32.93 3gsw s HIS 31 CO 0.23 -0.38 0.90 -0.35 -2.47 0.00 0.00 174.74 172.67 3gsw n PRO 32 N 3.09 -2.89 0.17 2.88 -0.04 -1.26 -1.54 135.00 135.41 3gsw n PRO 32 Ca -0.15 -1.45 0.07 0.00 -0.04 0.00 0.00 63.50 61.92 3gsw n PRO 32 Cb 0.56 -1.38 0.09 0.00 -0.04 0.00 0.00 33.50 32.73 3gsw n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gsw h SER 33 N -2.50 0.00 -2.66 3.54 4.64 -2.00 -3.45 113.55 111.13 3gsw h SER 33 Ca -0.34 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.45 3gsw h SER 33 Cb 1.05 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.18 3gsw h SER 33 CO 0.22 0.29 1.01 -1.81 -0.87 0.00 0.00 176.83 175.68 3gsw s ASP 34 N -6.35 6.52 -0.06 4.97 1.01 -1.26 -4.97 116.67 116.52 3gsw s ASP 34 Ca 0.05 2.64 -0.25 0.00 0.71 0.00 0.00 52.55 55.71 3gsw s ASP 34 Cb 0.06 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.48 3gsw s ASP 34 CO 0.71 -0.92 0.56 -0.51 0.21 0.00 0.00 175.17 175.22 3gsw s ILE 35 N 2.23 0.02 -0.19 0.77 2.07 -1.26 -4.65 121.20 120.18 3gsw s ILE 35 Ca 0.76 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.85 3gsw s ILE 35 Cb -0.44 -0.86 0.01 0.00 0.13 0.00 0.00 42.46 41.30 3gsw s ILE 35 CO 0.33 -0.08 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.45 3gsw s GLU 36 N -1.02 3.18 -0.10 3.50 2.12 -0.22 -5.00 118.70 121.15 3gsw s GLU 36 Ca -0.10 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.48 3gsw s GLU 36 Cb -0.02 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.66 3gsw s GLU 36 CO 0.07 -0.15 -0.06 0.08 -0.54 0.00 0.00 175.26 174.66 3gsw s VAL 37 N 1.25 0.86 0.02 3.70 1.01 -1.26 -0.71 120.40 125.26 3gsw s VAL 37 Ca 0.03 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3gsw s VAL 37 Cb -0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3gsw s VAL 37 CO -0.07 0.34 -0.26 -1.81 0.00 0.00 0.00 175.10 173.30 3gsw s ASP 38 N 1.78 3.15 -0.13 3.32 -0.00 0.11 -4.98 116.67 119.92 3gsw s ASP 38 Ca 0.05 -0.54 -0.12 0.00 -0.00 0.00 0.00 52.55 51.94 3gsw s ASP 38 Cb -0.12 -0.32 -0.05 0.00 -0.00 0.00 0.00 42.92 42.43 3gsw s ASP 38 CO -0.07 0.28 0.27 -0.76 -0.00 0.00 0.00 175.17 174.88 3gsw s LEU 39 N -1.00 4.31 -0.09 1.23 1.43 -1.26 0.08 118.68 123.37 3gsw s LEU 39 Ca 0.11 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 3gsw s LEU 39 Cb -0.10 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3gsw s LEU 39 CO 0.01 0.20 -0.15 -0.76 0.23 0.00 0.00 176.35 175.88 3gsw s LEU 40 N -0.08 2.62 -0.29 1.79 1.43 0.51 -0.49 118.68 124.17 3gsw s LEU 40 Ca 0.16 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3gsw s LEU 40 Cb -0.13 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.55 3gsw s LEU 40 CO 0.05 0.24 0.04 -0.75 0.23 0.00 0.00 176.35 176.17 3gsw s LYS 41 N -0.13 2.96 -1.46 1.70 2.20 0.80 -2.00 119.74 123.83 3gsw s LYS 41 Ca -0.02 -0.93 -0.09 0.00 -0.36 0.00 0.00 55.97 54.57 3gsw s LYS 41 Cb -0.14 -3.27 0.05 0.00 -1.51 0.00 0.00 37.83 32.96 3gsw s LYS 41 CO 0.04 -0.46 0.86 0.09 -0.36 0.00 0.00 175.35 175.52 3gsw n ASN 42 N 4.80 -3.38 0.00 1.43 3.02 0.85 -1.28 115.26 120.70 3gsw n ASN 42 Ca -0.15 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3gsw n ASN 42 Cb 0.47 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 3gsw n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gsw n GLY 43 N -1.67 1.82 3.53 7.41 0.00 -1.26 -5.03 105.19 110.00 3gsw n GLY 43 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3gsw n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gsw s GLU 44 N -0.14 3.40 0.16 1.61 2.02 -0.40 -5.02 118.70 120.32 3gsw s GLU 44 Ca 0.00 -0.52 -0.33 0.00 0.02 0.00 0.00 54.97 54.15 3gsw s GLU 44 Cb 0.00 -2.83 -0.12 0.00 0.10 0.00 0.00 34.13 31.28 3gsw s GLU 44 CO 0.00 0.38 1.71 -2.13 0.02 0.00 0.00 175.26 175.24 3gsw n ARG 45 N 3.09 2.54 -2.99 1.61 0.63 -1.26 -0.14 116.66 120.15 3gsw n ARG 45 Ca -0.18 0.92 -0.40 0.00 -0.92 0.00 0.00 57.85 57.27 3gsw n ARG 45 Cb 0.53 -2.75 -0.05 0.00 0.45 0.00 0.00 32.46 30.64 3gsw n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3gsw s ILE 46 N 1.55 4.72 -0.14 5.15 1.01 0.36 -4.85 121.20 128.99 3gsw s ILE 46 Ca 0.79 1.63 -0.26 0.00 0.00 0.00 0.00 60.65 62.80 3gsw s ILE 46 Cb -0.57 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 37.55 3gsw s ILE 46 CO 0.36 0.37 0.67 -0.08 0.00 0.00 0.00 174.94 176.27 3gsw h GLU 47 N 5.59 0.00 -5.85 2.79 4.57 -1.93 -3.41 114.58 116.34 3gsw h GLU 47 Ca -0.44 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.12 3gsw h GLU 47 Cb 1.21 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.68 3gsw h GLU 47 CO 0.71 0.92 1.24 0.21 -1.18 0.00 0.00 179.01 180.91 3gsw s LYS 48 N -2.18 3.52 -0.05 1.92 2.47 -1.26 -4.94 119.74 119.22 3gsw s LYS 48 Ca -0.18 -1.16 0.01 0.00 -1.56 0.00 0.00 55.97 53.07 3gsw s LYS 48 Cb -0.02 -5.07 0.02 0.00 -1.46 0.00 0.00 37.83 31.30 3gsw s LYS 48 CO 0.63 -2.08 -0.04 0.08 0.16 0.00 0.00 175.35 174.10 3gsw s VAL 49 N 4.47 0.56 0.40 4.02 1.01 -1.26 -4.66 120.40 124.94 3gsw s VAL 49 Ca 0.40 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.35 3gsw s VAL 49 Cb -0.03 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 3gsw s VAL 49 CO -0.06 0.25 0.26 -1.61 0.00 0.00 0.00 175.10 173.93 3gsw s GLU 50 N 1.14 2.41 0.05 2.72 2.02 -0.61 -4.93 118.70 121.51 3gsw s GLU 50 Ca -0.08 -1.63 -0.05 0.00 0.02 0.00 0.00 54.97 53.24 3gsw s GLU 50 Cb -0.14 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3gsw s GLU 50 CO -0.01 -0.09 0.08 -3.38 0.02 0.00 0.00 175.26 171.87 3gsw s HIS 51 N -2.50 0.29 0.87 1.61 -3.43 -1.26 -1.00 115.29 109.88 3gsw s HIS 51 Ca 0.43 -0.71 -0.11 0.00 -0.80 0.00 0.00 55.06 53.88 3gsw s HIS 51 Cb -0.01 -0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.06 3gsw s HIS 51 CO 0.25 -0.41 1.10 -1.54 -2.00 0.00 0.00 174.74 172.14 3gsw s SER 52 N -2.54 3.55 0.23 7.38 1.04 0.06 -4.98 113.70 118.45 3gsw s SER 52 Ca 0.01 1.76 -0.30 0.00 0.48 0.00 0.00 55.95 57.90 3gsw s SER 52 Cb 0.03 -2.39 -0.09 0.00 0.10 0.00 0.00 66.02 63.67 3gsw s SER 52 CO -0.08 -2.63 1.24 -1.81 0.98 0.00 0.00 173.24 170.94 3gsw s ASP 53 N -3.19 7.00 0.09 7.02 -0.00 -1.26 -4.74 116.67 121.59 3gsw s ASP 53 Ca 0.64 2.38 -0.33 0.00 -0.00 0.00 0.00 52.55 55.23 3gsw s ASP 53 Cb -0.19 -2.62 -0.13 0.00 -0.00 0.00 0.00 42.92 39.98 3gsw s ASP 53 CO 0.57 -0.41 1.70 -0.11 -0.00 0.00 0.00 175.17 176.93 3gsw n LEU 54 N 2.02 3.38 -4.26 1.23 7.94 -1.26 -4.95 117.00 121.11 3gsw n LEU 54 Ca 0.03 1.04 -0.19 0.00 -1.11 0.00 0.00 56.01 55.78 3gsw n LEU 54 Cb 0.44 -1.44 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 3gsw n LEU 54 CO 0.57 -0.13 -0.08 -0.55 -1.11 0.00 0.00 177.39 176.08 3gsw s SER 55 N 2.03 1.54 0.11 1.96 0.15 -1.23 -5.06 113.70 113.19 3gsw s SER 55 Ca 0.83 -1.72 -0.09 0.00 0.70 0.00 0.00 55.95 55.68 3gsw s SER 55 Cb -0.64 0.57 -0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3gsw s SER 55 CO 0.41 -1.09 0.21 0.72 1.20 0.00 0.00 173.24 174.69 3gsw s PHE 56 N -3.41 0.23 0.76 3.44 -0.12 -1.26 -1.78 117.98 115.84 3gsw s PHE 56 Ca 0.39 -0.64 -0.01 0.00 -0.05 0.00 0.00 56.93 56.62 3gsw s PHE 56 Cb 0.02 -0.07 0.15 0.00 -0.63 0.00 0.00 43.02 42.49 3gsw s PHE 56 CO 0.26 -0.59 1.04 -1.54 -0.05 0.00 0.00 175.22 174.35 3gsw s SER 57 N -2.89 4.11 0.28 1.98 1.04 -0.24 -4.94 113.70 113.04 3gsw s SER 57 Ca 0.08 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.08 3gsw s SER 57 Cb 0.05 0.19 0.59 0.00 0.10 0.00 0.00 66.02 66.95 3gsw s SER 57 CO -0.08 -2.04 1.80 0.50 0.98 0.00 0.00 173.24 174.39 3gsw h LYS 58 N -0.67 0.79 -0.29 4.02 3.11 -2.03 -0.29 116.57 121.21 3gsw h LYS 58 Ca -0.35 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 3gsw h LYS 58 Cb 1.26 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 3gsw h LYS 58 CO 0.37 0.52 0.00 -0.40 -2.81 0.00 0.00 179.45 177.13 3gsw n ASP 59 N -4.74 0.46 0.00 4.20 5.68 -1.26 -4.87 116.55 116.02 3gsw n ASP 59 Ca 0.19 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 3gsw n ASP 59 Cb 0.44 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3gsw n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3gsw n TRP 60 N -0.28 0.00 -2.66 2.11 7.02 -0.12 -5.02 117.44 118.49 3gsw n TRP 60 Ca 0.01 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.15 3gsw n TRP 60 Cb 0.10 -0.36 -0.05 0.00 -2.42 0.00 0.00 31.31 28.58 3gsw n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3gsw s SER 61 N -2.91 6.73 0.36 -0.99 1.04 -1.26 -4.68 113.70 111.99 3gsw s SER 61 Ca 0.00 1.86 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 3gsw s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 3gsw s SER 61 CO 0.00 -0.51 0.67 -0.36 0.98 0.00 0.00 173.24 174.02 3gsw s PHE 62 N -1.95 3.48 0.01 5.02 0.08 0.02 -1.08 117.98 123.56 3gsw s PHE 62 Ca 0.62 0.82 -0.02 0.00 0.12 0.00 0.00 56.93 58.47 3gsw s PHE 62 Cb -0.15 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3gsw s PHE 62 CO 0.19 0.00 0.02 1.52 -0.10 0.00 0.00 175.22 176.86 3gsw s TYR 63 N -2.28 0.17 -0.05 0.36 -0.85 -0.73 -1.82 117.35 112.15 3gsw s TYR 63 Ca 0.47 -0.36 -0.08 0.00 -0.52 0.00 0.00 57.07 56.58 3gsw s TYR 63 Cb -0.10 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.12 3gsw s TYR 63 CO 0.32 -0.20 0.21 -0.51 -1.52 0.00 0.00 175.55 173.85 3gsw s LEU 64 N -1.32 1.23 -0.20 -3.49 1.43 -0.05 -3.57 118.68 112.71 3gsw s LEU 64 Ca -0.14 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3gsw s LEU 64 Cb -0.09 0.80 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 3gsw s LEU 64 CO -0.00 -0.20 -0.02 -0.22 0.23 0.00 0.00 176.35 176.13 3gsw s LEU 65 N -0.46 3.10 -0.11 1.79 2.96 -1.26 -1.09 118.68 123.61 3gsw s LEU 65 Ca -0.06 -0.27 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3gsw s LEU 65 Cb -0.04 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3gsw s LEU 65 CO 0.01 0.05 0.02 -0.31 -1.32 0.00 0.00 176.35 174.81 3gsw s TYR 66 N 1.06 3.21 -0.02 5.38 2.02 0.19 -0.76 117.35 128.43 3gsw s TYR 66 Ca 0.01 0.16 -0.19 0.00 -0.37 0.00 0.00 57.07 56.69 3gsw s TYR 66 Cb -0.15 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.58 3gsw s TYR 66 CO 0.01 0.39 0.40 1.52 -1.57 0.00 0.00 175.55 176.30 3gsw s TYR 67 N -0.56 -0.29 -0.04 2.71 -0.85 -0.17 0.39 117.35 118.54 3gsw s TYR 67 Ca 0.10 0.47 -0.12 0.00 -0.52 0.00 0.00 57.07 57.00 3gsw s TYR 67 Cb -0.12 0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.41 3gsw s TYR 67 CO 0.02 -0.45 0.27 -0.08 -1.52 0.00 0.00 175.55 173.80 3gsw s THR 68 N -1.32 0.05 0.17 -3.49 -1.32 -0.50 -1.57 115.64 107.66 3gsw s THR 68 Ca -0.13 -0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 59.66 3gsw s THR 68 Cb -0.04 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.35 3gsw s THR 68 CO 0.06 -0.22 1.27 -0.70 -2.21 0.00 0.00 174.62 172.82 3gsw s GLU 69 N -0.94 4.42 0.06 7.08 2.12 -1.26 -0.50 118.70 129.68 3gsw s GLU 69 Ca -0.10 1.96 -0.13 0.00 0.36 0.00 0.00 54.97 57.06 3gsw s GLU 69 Cb -0.05 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.12 3gsw s GLU 69 CO 0.03 -0.22 0.29 -0.59 -0.54 0.00 0.00 175.26 174.23 3gsw s PHE 70 N 0.28 -0.06 -0.30 5.30 -0.71 -0.10 -4.88 117.98 117.51 3gsw s PHE 70 Ca 0.56 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 3gsw s PHE 70 Cb -0.34 0.08 0.06 0.00 -1.21 0.00 0.00 43.02 41.61 3gsw s PHE 70 CO 0.36 -0.52 -0.01 0.99 -1.34 0.00 0.00 175.22 174.69 3gsw s THR 71 N -2.86 2.65 0.40 -4.49 2.01 -1.26 0.23 115.64 112.33 3gsw s THR 71 Ca -0.03 -1.65 -0.26 0.00 0.31 0.00 0.00 61.69 60.06 3gsw s THR 71 Cb 0.00 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 3gsw s THR 71 CO -0.05 -0.19 1.28 -2.16 -0.69 0.00 0.00 174.62 172.80 3gsw s PRO 72 N 1.15 4.01 0.46 4.92 0.04 -1.26 -4.81 135.00 139.50 3gsw s PRO 72 Ca -0.03 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3gsw s PRO 72 Cb -0.20 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 3gsw s PRO 72 CO -0.04 -0.44 0.07 0.95 0.04 0.00 0.00 177.00 177.58 3gsw s THR 73 N -1.28 0.90 0.17 1.26 -4.23 -1.26 -0.54 115.64 110.66 3gsw s THR 73 Ca 0.56 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 3gsw s THR 73 Cb -0.37 -2.28 0.04 0.00 1.34 0.00 0.00 72.50 71.23 3gsw s THR 73 CO 0.47 0.00 1.61 -0.33 -0.54 0.00 0.00 174.62 175.83 3gsw h GLU 74 N 1.58 1.01 0.00 3.99 4.39 -1.98 -3.37 114.58 120.20 3gsw h GLU 74 Ca -0.40 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 58.95 3gsw h GLU 74 Cb 1.29 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 3gsw h GLU 74 CO 0.66 1.02 -0.07 1.57 -1.16 0.00 0.00 179.01 181.03 3gsw h LYS 75 N 0.89 0.00 -6.83 2.33 2.10 -2.02 -3.47 116.57 109.57 3gsw h LYS 75 Ca 0.15 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.27 3gsw h LYS 75 Cb 0.60 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.01 3gsw h LYS 75 CO 0.04 0.98 0.86 -0.51 -2.00 0.00 0.00 179.45 178.81 3gsw s ASP 76 N -6.24 6.39 -0.06 7.07 1.01 -1.26 -5.01 116.67 118.56 3gsw s ASP 76 Ca -0.19 2.95 0.02 0.00 0.71 0.00 0.00 52.55 56.04 3gsw s ASP 76 Cb -0.02 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3gsw s ASP 76 CO 0.67 -0.89 -0.09 -1.61 0.21 0.00 0.00 175.17 173.46 3gsw s GLU 77 N -0.83 2.66 0.13 8.23 0.41 -1.26 -4.74 118.70 123.31 3gsw s GLU 77 Ca 0.61 -0.60 0.08 0.00 -0.41 0.00 0.00 54.97 54.65 3gsw s GLU 77 Cb -0.47 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.32 3gsw s GLU 77 CO 0.51 0.65 -0.20 0.71 -0.49 0.00 0.00 175.26 176.44 3gsw s TYR 78 N -0.79 1.81 0.23 1.61 2.02 -1.26 -0.11 117.35 120.86 3gsw s TYR 78 Ca 0.12 -0.44 -0.22 0.00 -0.37 0.00 0.00 57.07 56.16 3gsw s TYR 78 Cb -0.11 -0.95 0.04 0.00 -0.40 0.00 0.00 41.96 40.55 3gsw s TYR 78 CO 0.01 0.27 0.66 0.00 -1.57 0.00 0.00 175.55 174.92 3gsw s ALA 79 N -1.60 -1.37 -0.08 3.71 0.00 -0.84 -0.50 121.76 121.07 3gsw s ALA 79 Ca 0.11 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.15 3gsw s ALA 79 Cb -0.08 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 3gsw s ALA 79 CO 0.05 -0.91 -0.19 0.00 0.00 0.00 0.00 175.76 174.71 3gsw s ARG 81 N -0.06 3.15 -0.13 0.00 3.52 0.11 -1.15 118.95 124.40 3gsw s ARG 81 Ca -0.05 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.82 3gsw s ARG 81 Cb -0.14 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.40 3gsw s ARG 81 CO 0.04 -0.24 -0.22 0.08 -0.81 0.00 0.00 175.30 174.16 3gsw s VAL 82 N 1.39 2.03 -0.00 7.11 1.01 0.18 -0.71 120.40 131.40 3gsw s VAL 82 Ca 0.05 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.14 3gsw s VAL 82 Cb -0.14 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3gsw s VAL 82 CO -0.07 0.55 -0.26 0.21 0.00 0.00 0.00 175.10 175.53 3gsw s ASN 83 N 0.67 3.06 0.09 3.32 3.84 0.11 -0.39 114.94 125.63 3gsw s ASN 83 Ca -0.11 -0.50 -0.15 0.00 0.21 0.00 0.00 52.86 52.31 3gsw s ASN 83 Cb -0.16 -0.32 0.03 0.00 -0.55 0.00 0.00 41.25 40.24 3gsw s ASN 83 CO 0.02 0.30 0.37 -2.28 -2.79 0.00 0.00 177.10 172.71 3gsw s HIS 84 N -0.66 -0.16 0.49 0.43 5.65 -1.26 -1.06 115.29 118.71 3gsw s HIS 84 Ca 0.10 -0.08 0.22 0.00 0.25 0.00 0.00 55.06 55.55 3gsw s HIS 84 Cb -0.10 0.19 1.28 0.00 -1.18 0.00 0.00 32.58 32.77 3gsw s HIS 84 CO -0.00 -0.63 1.96 -0.24 -0.65 0.00 0.00 174.74 175.18 3gsw h VAL 85 N 2.66 0.74 0.00 0.89 3.04 -1.95 -0.27 116.25 121.35 3gsw h VAL 85 Ca -0.33 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3gsw h VAL 85 Cb 1.23 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 3gsw h VAL 85 CO 0.47 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.41 3gsw n THR 86 N -4.41 0.66 -4.03 3.17 -2.24 -1.26 -4.77 114.28 101.41 3gsw n THR 86 Ca 0.12 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.58 3gsw n THR 86 Cb 0.60 -0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 3gsw n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3gsw s LEU 87 N -4.07 3.77 0.13 3.22 1.43 -0.12 -5.00 118.68 118.03 3gsw s LEU 87 Ca 0.08 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3gsw s LEU 87 Cb 0.12 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3gsw s LEU 87 CO 0.46 0.17 1.66 0.28 0.23 0.00 0.00 176.35 179.15 3gsw h SER 88 N 6.73 0.54 -4.42 2.29 0.02 -1.86 -3.43 113.55 113.43 3gsw h SER 88 Ca -0.36 -0.18 -0.27 0.00 -0.84 0.00 0.00 61.79 60.13 3gsw h SER 88 Cb 1.17 -0.14 -0.15 0.00 0.14 0.00 0.00 62.40 63.42 3gsw h SER 88 CO 0.70 0.58 -0.69 0.00 -1.14 0.00 0.00 176.83 176.28 3gsw s GLN 89 N -5.49 0.98 0.31 3.45 -2.07 -1.26 -5.12 119.66 110.46 3gsw s GLN 89 Ca -0.13 -1.43 -0.28 0.00 -1.82 0.00 0.00 55.36 51.70 3gsw s GLN 89 Cb 0.10 -0.32 -0.14 0.00 -1.09 0.00 0.00 33.01 31.56 3gsw s GLN 89 CO 0.75 -0.04 1.03 -2.30 -1.32 0.00 0.00 175.29 173.42 3gsw n PRO 90 N -0.15 1.43 -3.88 9.60 -0.02 -1.26 -4.92 135.00 135.80 3gsw n PRO 90 Ca -0.10 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.53 3gsw n PRO 90 Cb 0.62 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 3gsw n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3gsw s LYS 91 N -1.63 3.98 -0.16 -0.52 2.20 0.47 -4.91 119.74 119.17 3gsw s LYS 91 Ca 0.59 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 3gsw s LYS 91 Cb -0.67 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 3gsw s LYS 91 CO 0.60 0.18 -0.04 0.42 -0.36 0.00 0.00 175.35 176.15 3gsw s ILE 92 N 0.66 3.81 -0.16 5.43 1.01 -1.26 -0.64 121.20 130.06 3gsw s ILE 92 Ca 0.05 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3gsw s ILE 92 Cb -0.13 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.68 3gsw s ILE 92 CO 0.01 0.48 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 3gsw s VAL 93 N 0.50 1.74 0.24 2.92 1.01 -0.30 -4.98 120.40 121.53 3gsw s VAL 93 Ca -0.03 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3gsw s VAL 93 Cb -0.14 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 3gsw s VAL 93 CO 0.03 0.49 0.88 -0.54 0.00 0.00 0.00 175.10 175.95 3gsw s LYS 94 N 1.36 4.67 -0.13 2.72 1.02 -1.26 -0.87 119.74 127.25 3gsw s LYS 94 Ca 0.04 1.31 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 3gsw s LYS 94 Cb -0.13 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 3gsw s LYS 94 CO -0.10 0.47 1.55 -0.46 -0.92 0.00 0.00 175.35 175.88 3gsw s TRP 95 N -1.30 2.23 -0.22 3.18 -0.00 0.34 -4.88 118.94 118.29 3gsw s TRP 95 Ca 0.42 0.50 -0.05 0.00 -0.00 0.00 0.00 56.10 56.97 3gsw s TRP 95 Cb -0.23 -3.84 -0.01 0.00 -0.00 0.00 0.00 33.47 29.39 3gsw s TRP 95 CO 0.28 -3.04 -0.02 0.34 -0.00 0.00 0.00 176.95 174.51 3gsw s ASP 96 N 3.28 4.49 0.57 5.86 -1.08 -1.26 -4.77 116.67 123.76 3gsw s ASP 96 Ca 0.68 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.63 3gsw s ASP 96 Cb -0.28 -1.78 1.59 0.00 -1.46 0.00 0.00 42.92 40.99 3gsw s ASP 96 CO 0.26 -0.02 2.12 0.03 0.52 0.00 0.00 175.17 178.08 3gsw h ARG 97 N 8.09 0.00 -0.07 4.34 3.08 -1.95 -2.21 114.38 125.67 3gsw h ARG 97 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3gsw h ARG 97 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 3gsw h ARG 97 CO 0.60 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.25 3gsw n ASP 98 N -4.01 0.93 0.00 7.04 8.00 -1.26 -4.94 116.55 122.32 3gsw n ASP 98 Ca 0.01 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.02 3gsw n ASP 98 Cb 0.29 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3gsw n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04