#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bw9 n ILE 1 N 0.00 -7.93 -4.39 2.02 -0.00 -1.26 -5.14 119.36 102.66 3bw9 n ILE 1 Ca 0.00 0.13 -0.24 0.00 -0.00 0.00 0.00 62.75 62.64 3bw9 n ILE 1 Cb 0.00 -6.11 -0.11 0.00 -0.00 0.00 0.00 39.64 33.42 3bw9 n ILE 1 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3bw9 s GLN 2 N -2.69 1.43 -0.04 0.38 -0.21 -1.26 -4.86 119.66 112.41 3bw9 s GLN 2 Ca 0.07 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 53.97 3bw9 s GLN 2 Cb -0.02 -1.58 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 3bw9 s GLN 2 CO 0.54 0.32 -0.17 1.03 -2.12 0.00 0.00 175.29 174.90 3bw9 s ARG 3 N -2.91 1.70 0.13 2.91 0.52 0.56 -4.94 118.95 116.92 3bw9 s ARG 3 Ca 0.20 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.65 3bw9 s ARG 3 Cb -0.06 -1.49 -0.07 0.00 0.52 0.00 0.00 34.95 33.84 3bw9 s ARG 3 CO 0.09 0.24 0.58 -0.08 0.02 0.00 0.00 175.30 176.16 3bw9 s THR 4 N 0.02 4.76 0.37 0.02 -1.32 -1.26 -1.63 115.64 116.60 3bw9 s THR 4 Ca -0.03 1.06 -0.28 0.00 -1.21 0.00 0.00 61.69 61.24 3bw9 s THR 4 Cb -0.11 -3.82 -0.10 0.00 -1.51 0.00 0.00 72.50 66.96 3bw9 s THR 4 CO 0.02 0.37 1.33 -2.16 -2.21 0.00 0.00 174.62 171.97 3bw9 s PRO 5 N -1.60 4.16 0.39 7.08 0.04 -1.26 -4.36 135.00 139.45 3bw9 s PRO 5 Ca 0.35 2.25 -0.17 0.00 0.04 0.00 0.00 61.00 63.47 3bw9 s PRO 5 Cb -0.17 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.34 3bw9 s PRO 5 CO 0.19 -0.36 0.84 0.15 0.04 0.00 0.00 177.00 177.86 3bw9 s LYS 6 N -2.02 4.07 -0.03 4.56 1.02 0.15 -4.90 119.74 122.59 3bw9 s LYS 6 Ca 0.53 0.86 0.00 0.00 0.02 0.00 0.00 55.97 57.37 3bw9 s LYS 6 Cb -0.40 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3bw9 s LYS 6 CO 0.53 0.04 -0.01 0.42 -0.92 0.00 0.00 175.35 175.41 3bw9 s ILE 7 N -2.14 0.24 -0.03 2.17 1.01 -1.26 -1.62 121.20 119.57 3bw9 s ILE 7 Ca 0.57 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.31 3bw9 s ILE 7 Cb -0.10 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.05 3bw9 s ILE 7 CO 0.18 0.16 -0.10 -1.10 0.00 0.00 0.00 174.94 174.07 3bw9 s GLN 8 N 1.06 1.14 -0.08 2.79 -0.21 -0.65 -5.00 119.66 118.71 3bw9 s GLN 8 Ca -0.09 -0.36 0.03 0.00 0.02 0.00 0.00 55.36 54.96 3bw9 s GLN 8 Cb -0.14 -1.04 0.01 0.00 1.00 0.00 0.00 33.01 32.84 3bw9 s GLN 8 CO -0.02 0.13 -0.18 0.54 -2.12 0.00 0.00 175.29 173.64 3bw9 s VAL 9 N 0.21 1.58 0.14 1.09 0.11 -1.26 -0.70 120.40 121.58 3bw9 s VAL 9 Ca -0.04 -0.74 -0.25 0.00 -2.93 0.00 0.00 61.98 58.02 3bw9 s VAL 9 Cb -0.10 -1.40 0.07 0.00 -1.53 0.00 0.00 36.38 33.42 3bw9 s VAL 9 CO 0.01 0.45 0.99 -0.72 -3.33 0.00 0.00 175.10 172.51 3bw9 s TYR 10 N 0.51 -0.11 0.13 1.54 1.13 -0.57 -4.50 117.35 115.47 3bw9 s TYR 10 Ca -0.17 -0.19 0.04 0.00 -1.41 0.00 0.00 57.07 55.35 3bw9 s TYR 10 Cb -0.17 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 3bw9 s TYR 10 CO 0.06 -0.79 0.09 -1.54 -2.51 0.00 0.00 175.55 170.87 3bw9 s SER 11 N -2.97 5.42 0.12 -0.18 1.04 -1.26 -0.11 113.70 115.75 3bw9 s SER 11 Ca 0.13 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.28 3bw9 s SER 11 Cb -0.01 -1.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 3bw9 s SER 11 CO 0.02 0.12 1.68 -0.09 0.98 0.00 0.00 173.24 175.95 3bw9 h ARG 12 N 2.87 0.49 -6.38 4.02 2.43 -1.64 -3.44 114.38 112.72 3bw9 h ARG 12 Ca -0.47 -0.08 -0.61 0.00 -0.81 0.00 0.00 59.98 58.01 3bw9 h ARG 12 Cb 1.18 -0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 30.52 3bw9 h ARG 12 CO 0.63 0.47 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.84 3bw9 s HIS 13 N -5.62 2.60 0.29 2.20 3.76 -1.26 -5.04 115.29 112.23 3bw9 s HIS 13 Ca -0.13 -0.24 -0.29 0.00 -0.15 0.00 0.00 55.06 54.25 3bw9 s HIS 13 Cb 0.09 -1.23 -0.14 0.00 1.11 0.00 0.00 32.58 32.41 3bw9 s HIS 13 CO 0.73 0.55 1.15 -2.30 -0.85 0.00 0.00 174.74 174.03 3bw9 n PRO 14 N -0.20 1.65 -2.51 8.40 -0.02 -1.26 -4.84 135.00 136.21 3bw9 n PRO 14 Ca -0.09 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 3bw9 n PRO 14 Cb 0.57 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3bw9 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bw9 s ALA 15 N -0.89 3.38 -0.15 3.55 0.00 -1.26 -5.01 121.76 121.37 3bw9 s ALA 15 Ca 0.60 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 3bw9 s ALA 15 Cb -0.67 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.05 3bw9 s ALA 15 CO 0.59 -0.51 -0.03 -1.21 0.00 0.00 0.00 175.76 174.60 3bw9 s GLU 16 N 1.48 1.15 0.09 0.00 2.02 -1.26 -5.11 118.70 117.07 3bw9 s GLU 16 Ca 0.56 -0.37 -0.36 0.00 0.02 0.00 0.00 54.97 54.81 3bw9 s GLU 16 Cb -0.25 -1.81 -0.16 0.00 0.10 0.00 0.00 34.13 32.00 3bw9 s GLU 16 CO 0.26 -0.44 1.37 0.09 0.02 0.00 0.00 175.26 176.56 3bw9 n ASN 17 N 4.96 1.81 0.00 -0.19 3.02 -1.26 -0.49 115.26 123.12 3bw9 n ASN 17 Ca -0.10 1.11 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 3bw9 n ASN 17 Cb 0.48 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 3bw9 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bw9 n GLY 18 N 2.63 1.37 3.52 7.41 0.00 0.03 -4.97 105.19 115.16 3bw9 n GLY 18 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3bw9 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bw9 s LYS 19 N -0.29 3.76 0.51 1.61 2.20 0.36 -4.99 119.74 122.90 3bw9 s LYS 19 Ca 0.00 -0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 3bw9 s LYS 19 Cb 0.00 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 3bw9 s LYS 19 CO 0.00 0.03 1.35 0.45 -0.36 0.00 0.00 175.35 176.81 3bw9 n SER 20 N 4.26 2.74 -0.57 1.43 2.88 -1.26 -4.13 113.62 118.97 3bw9 n SER 20 Ca -0.16 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.40 3bw9 n SER 20 Cb 0.52 -1.57 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3bw9 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3bw9 n ASN 21 N -0.63 0.00 -3.98 -3.46 2.85 0.87 -4.97 115.26 105.93 3bw9 n ASN 21 Ca 0.09 -0.57 -0.21 0.00 -0.11 0.00 0.00 54.58 53.78 3bw9 n ASN 21 Cb 0.43 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.29 3bw9 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bw9 s PHE 22 N -5.70 0.96 -0.25 1.20 0.40 -1.26 -2.14 117.98 111.20 3bw9 s PHE 22 Ca 0.00 -0.26 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 3bw9 s PHE 22 Cb 0.00 -0.72 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 3bw9 s PHE 22 CO 0.00 -0.14 0.26 -1.17 0.70 0.00 0.00 175.22 174.87 3bw9 s LEU 23 N 0.39 4.09 -0.06 -0.37 2.96 0.12 -1.46 118.68 124.35 3bw9 s LEU 23 Ca -0.06 0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 3bw9 s LEU 23 Cb -0.11 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3bw9 s LEU 23 CO 0.01 -0.04 -0.12 0.20 -1.32 0.00 0.00 176.35 175.08 3bw9 s ASN 24 N 1.31 4.22 -0.18 3.68 0.01 0.84 -1.90 114.94 122.93 3bw9 s ASN 24 Ca 0.11 -0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 3bw9 s ASN 24 Cb -0.15 -0.98 0.04 0.00 0.41 0.00 0.00 41.25 40.57 3bw9 s ASN 24 CO 0.08 0.34 -0.09 0.00 -1.51 0.00 0.00 177.10 175.92 3bw9 s TYR 26 N 1.51 3.19 -0.09 0.00 5.04 0.12 -0.82 117.35 126.29 3bw9 s TYR 26 Ca 0.00 -0.39 -0.01 0.00 -2.44 0.00 0.00 57.07 54.24 3bw9 s TYR 26 Cb -0.15 -2.37 -0.03 0.00 0.35 0.00 0.00 41.96 39.75 3bw9 s TYR 26 CO -0.08 -0.39 -0.05 0.14 -1.34 0.00 0.00 175.55 173.83 3bw9 s VAL 27 N 1.66 3.84 0.24 3.14 -7.23 -0.49 -1.64 120.40 119.91 3bw9 s VAL 27 Ca 0.05 -0.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 3bw9 s VAL 27 Cb -0.17 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.17 3bw9 s VAL 27 CO 0.08 0.57 0.49 -0.94 -0.31 0.00 0.00 175.10 174.99 3bw9 s SER 28 N -0.52 -0.12 -0.47 4.85 1.04 -0.64 -1.25 113.70 116.59 3bw9 s SER 28 Ca 0.08 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3bw9 s SER 28 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3bw9 s SER 28 CO 0.02 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3bw9 n GLY 29 N -0.37 0.70 3.84 7.32 0.00 -0.56 0.30 105.19 116.41 3bw9 n GLY 29 Ca -0.03 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 3bw9 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bw9 s PHE 30 N -2.01 3.21 -0.29 1.61 -0.12 -1.21 -4.30 117.98 114.88 3bw9 s PHE 30 Ca 0.00 -0.02 -0.16 0.00 -0.05 0.00 0.00 56.93 56.69 3bw9 s PHE 30 Cb 0.00 -1.51 0.12 0.00 -0.63 0.00 0.00 43.02 41.00 3bw9 s PHE 30 CO 0.00 0.51 0.87 -1.58 -0.05 0.00 0.00 175.22 174.97 3bw9 s HIS 31 N -1.87 -0.76 0.54 3.49 2.46 -0.65 -0.74 115.29 117.76 3bw9 s HIS 31 Ca 0.32 1.52 -0.09 0.00 0.47 0.00 0.00 55.06 57.28 3bw9 s HIS 31 Cb -0.09 0.45 0.13 0.00 -0.13 0.00 0.00 32.58 32.94 3bw9 s HIS 31 CO 0.25 -0.38 0.58 -0.35 -2.47 0.00 0.00 174.74 172.38 3bw9 n PRO 32 N 3.92 -1.41 0.17 2.88 -0.04 -1.26 -0.32 135.00 138.93 3bw9 n PRO 32 Ca -0.19 -0.91 0.08 0.00 -0.04 0.00 0.00 63.50 62.44 3bw9 n PRO 32 Cb 0.58 -0.73 0.09 0.00 -0.04 0.00 0.00 33.50 33.39 3bw9 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bw9 h SER 33 N -1.40 0.00 -2.97 3.54 4.64 -1.99 -3.45 113.55 111.92 3bw9 h SER 33 Ca -0.20 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.59 3bw9 h SER 33 Cb 0.59 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.74 3bw9 h SER 33 CO 0.14 0.20 0.88 -1.81 -0.87 0.00 0.00 176.83 175.37 3bw9 s ASP 34 N -6.18 6.54 -0.15 4.97 1.01 -1.26 -4.97 116.67 116.64 3bw9 s ASP 34 Ca 0.05 2.70 -0.28 0.00 0.71 0.00 0.00 52.55 55.73 3bw9 s ASP 34 Cb 0.07 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.46 3bw9 s ASP 34 CO 0.72 -0.83 0.69 -0.51 0.21 0.00 0.00 175.17 175.45 3bw9 s ILE 35 N 0.78 0.00 -0.17 0.77 2.07 -1.26 -4.64 121.20 118.75 3bw9 s ILE 35 Ca 0.68 -0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.93 3bw9 s ILE 35 Cb -0.45 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.16 3bw9 s ILE 35 CO 0.36 -0.00 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.58 3bw9 s GLU 36 N -0.51 3.03 0.02 3.50 2.02 -0.46 -5.01 118.70 121.30 3bw9 s GLU 36 Ca -0.06 -0.82 0.05 0.00 0.02 0.00 0.00 54.97 54.15 3bw9 s GLU 36 Cb -0.02 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 3bw9 s GLU 36 CO 0.06 -0.14 -0.14 0.14 0.02 0.00 0.00 175.26 175.20 3bw9 s VAL 37 N 1.14 1.08 0.02 2.63 -7.23 -1.26 -0.63 120.40 116.15 3bw9 s VAL 37 Ca 0.01 -0.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.35 3bw9 s VAL 37 Cb -0.14 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 3bw9 s VAL 37 CO -0.09 0.09 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.89 3bw9 s ASP 38 N -0.89 1.08 -0.14 4.85 1.01 -0.24 -4.97 116.67 117.37 3bw9 s ASP 38 Ca 0.02 -0.31 -0.09 0.00 0.71 0.00 0.00 52.55 52.88 3bw9 s ASP 38 Cb -0.07 -0.07 -0.04 0.00 1.01 0.00 0.00 42.92 43.74 3bw9 s ASP 38 CO 0.01 0.01 0.17 -0.76 0.21 0.00 0.00 175.17 174.81 3bw9 s LEU 39 N -0.74 4.33 0.05 1.23 1.43 -1.26 0.53 118.68 124.24 3bw9 s LEU 39 Ca -0.00 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 3bw9 s LEU 39 Cb -0.06 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 3bw9 s LEU 39 CO 0.00 0.30 -0.15 -0.76 0.23 0.00 0.00 176.35 175.98 3bw9 s LEU 40 N -0.48 2.79 -0.24 1.79 1.43 0.97 -0.50 118.68 124.44 3bw9 s LEU 40 Ca 0.14 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3bw9 s LEU 40 Cb -0.12 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.52 3bw9 s LEU 40 CO 0.03 0.25 -0.11 -0.75 0.23 0.00 0.00 176.35 176.00 3bw9 s LYS 41 N -1.57 2.56 -1.36 1.70 2.20 0.69 -1.73 119.74 122.23 3bw9 s LYS 41 Ca 0.16 -1.14 -0.01 0.00 -0.36 0.00 0.00 55.97 54.62 3bw9 s LYS 41 Cb -0.11 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.34 3bw9 s LYS 41 CO 0.07 -0.46 0.53 0.09 -0.36 0.00 0.00 175.35 175.22 3bw9 n ASN 42 N 4.55 -0.89 0.00 1.43 3.02 0.14 -1.75 115.26 121.76 3bw9 n ASN 42 Ca -0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3bw9 n ASN 42 Cb 0.45 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3bw9 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bw9 n GLY 43 N -1.84 2.74 3.89 7.41 0.00 -1.26 -5.00 105.19 111.13 3bw9 n GLY 43 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3bw9 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bw9 s GLU 44 N 0.00 3.47 -0.04 1.61 2.02 -0.72 -5.01 118.70 120.03 3bw9 s GLU 44 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 3bw9 s GLU 44 Cb 0.00 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3bw9 s GLU 44 CO 0.00 0.70 1.18 -0.98 0.02 0.00 0.00 175.26 176.19 3bw9 s ARG 45 N -1.61 4.37 0.08 1.61 1.70 -1.26 -0.23 118.95 123.61 3bw9 s ARG 45 Ca 0.23 1.66 -0.31 0.00 -0.47 0.00 0.00 55.73 56.85 3bw9 s ARG 45 Cb -0.13 -3.53 -0.06 0.00 -0.57 0.00 0.00 34.95 30.66 3bw9 s ARG 45 CO 0.14 -0.40 1.27 0.42 -1.08 0.00 0.00 175.30 175.65 3bw9 s ILE 46 N 2.01 3.76 -0.85 4.99 1.01 0.34 -4.90 121.20 127.56 3bw9 s ILE 46 Ca 0.56 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.47 3bw9 s ILE 46 Cb -0.25 -3.81 0.34 0.00 0.01 0.00 0.00 42.46 38.75 3bw9 s ILE 46 CO 0.23 0.10 1.65 1.21 0.00 0.00 0.00 174.94 178.12 3bw9 n GLU 47 N 3.98 4.22 -2.65 2.79 2.13 -1.26 -4.48 120.64 125.36 3bw9 n GLU 47 Ca 0.10 -4.42 -0.04 0.00 0.66 0.00 0.00 57.16 53.46 3bw9 n GLU 47 Cb 0.45 -2.36 0.09 0.00 0.27 0.00 0.00 31.44 29.88 3bw9 n GLU 47 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3bw9 n LYS 48 N -0.25 0.02 -5.21 5.31 5.02 -1.26 -5.16 118.16 116.63 3bw9 n LYS 48 Ca 0.45 -0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 3bw9 n LYS 48 Cb 0.31 -0.04 -0.17 0.00 -0.02 0.00 0.00 35.03 35.11 3bw9 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bw9 s VAL 49 N 0.02 2.09 0.43 -0.18 1.01 -1.26 -4.72 120.40 117.79 3bw9 s VAL 49 Ca 0.24 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.24 3bw9 s VAL 49 Cb 0.22 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3bw9 s VAL 49 CO -0.09 0.56 0.62 -1.61 0.00 0.00 0.00 175.10 174.59 3bw9 s GLU 50 N 0.33 2.97 0.08 2.72 0.41 -0.53 -4.93 118.70 119.75 3bw9 s GLU 50 Ca -0.18 -0.75 -0.09 0.00 -0.41 0.00 0.00 54.97 53.54 3bw9 s GLU 50 Cb -0.18 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.53 3bw9 s GLU 50 CO 0.09 -0.25 0.19 -3.38 -0.49 0.00 0.00 175.26 171.42 3bw9 s HIS 51 N -2.46 0.14 0.91 1.61 -3.43 -1.26 -1.30 115.29 109.50 3bw9 s HIS 51 Ca 0.49 -0.54 -0.12 0.00 -0.80 0.00 0.00 55.06 54.09 3bw9 s HIS 51 Cb -0.10 -0.06 0.14 0.00 -1.43 0.00 0.00 32.58 31.13 3bw9 s HIS 51 CO 0.36 -0.53 1.12 -1.54 -2.00 0.00 0.00 174.74 172.15 3bw9 s SER 52 N -2.75 3.47 0.25 7.38 1.04 0.14 -4.98 113.70 118.25 3bw9 s SER 52 Ca 0.04 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.27 3bw9 s SER 52 Cb 0.04 -1.74 -0.09 0.00 0.10 0.00 0.00 66.02 64.33 3bw9 s SER 52 CO -0.10 -2.59 1.02 -1.81 0.98 0.00 0.00 173.24 170.74 3bw9 s ASP 53 N -3.84 7.46 0.09 7.02 1.01 -1.26 -4.78 116.67 122.36 3bw9 s ASP 53 Ca 0.64 2.09 -0.33 0.00 0.71 0.00 0.00 52.55 55.66 3bw9 s ASP 53 Cb -0.16 -2.62 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 3bw9 s ASP 53 CO 0.55 -0.00 1.76 -0.11 0.21 0.00 0.00 175.17 177.57 3bw9 n LEU 54 N 1.46 3.56 -4.19 1.23 7.94 -1.26 -4.93 117.00 120.81 3bw9 n LEU 54 Ca -0.01 1.02 -0.17 0.00 -1.11 0.00 0.00 56.01 55.74 3bw9 n LEU 54 Cb 0.46 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.89 3bw9 n LEU 54 CO 0.52 -0.04 0.01 -0.55 -1.11 0.00 0.00 177.39 176.22 3bw9 s SER 55 N 2.38 1.32 0.07 1.96 0.15 -1.24 -5.06 113.70 113.27 3bw9 s SER 55 Ca 0.83 -1.63 -0.06 0.00 0.70 0.00 0.00 55.95 55.79 3bw9 s SER 55 Cb -0.60 0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 3bw9 s SER 55 CO 0.41 -1.18 0.11 0.72 1.20 0.00 0.00 173.24 174.50 3bw9 s PHE 56 N -3.23 0.25 0.78 3.44 -0.71 -1.26 -1.89 117.98 115.36 3bw9 s PHE 56 Ca 0.36 -0.68 -0.05 0.00 -1.04 0.00 0.00 56.93 55.51 3bw9 s PHE 56 Cb 0.01 -0.16 0.14 0.00 -1.21 0.00 0.00 43.02 41.80 3bw9 s PHE 56 CO 0.24 -0.46 1.08 -1.12 -1.34 0.00 0.00 175.22 173.62 3bw9 s SER 57 N -2.69 4.08 0.50 1.98 0.01 0.22 -4.93 113.70 112.86 3bw9 s SER 57 Ca 0.03 -0.11 0.15 0.00 1.31 0.00 0.00 55.95 57.33 3bw9 s SER 57 Cb 0.04 -0.21 1.18 0.00 0.21 0.00 0.00 66.02 67.24 3bw9 s SER 57 CO -0.09 -2.06 2.11 0.11 0.41 0.00 0.00 173.24 173.72 3bw9 h LYS 58 N -0.82 0.03 -0.29 12.44 1.57 -2.03 0.73 116.57 128.21 3bw9 h LYS 58 Ca -0.39 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3bw9 h LYS 58 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3bw9 h LYS 58 CO 0.42 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 178.96 3bw9 n ASP 59 N -4.49 0.93 0.00 0.86 5.68 -1.26 -4.89 116.55 113.38 3bw9 n ASP 59 Ca -0.03 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.23 3bw9 n ASP 59 Cb 0.12 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3bw9 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3bw9 n TRP 60 N -0.07 0.00 -2.78 2.11 7.02 0.25 -5.01 117.44 118.95 3bw9 n TRP 60 Ca 0.04 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.18 3bw9 n TRP 60 Cb 0.17 -0.24 -0.07 0.00 -2.42 0.00 0.00 31.31 28.75 3bw9 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bw9 s SER 61 N -2.85 6.99 0.42 -0.99 1.04 -1.26 -4.71 113.70 112.35 3bw9 s SER 61 Ca 0.00 1.75 -0.06 0.00 0.48 0.00 0.00 55.95 58.12 3bw9 s SER 61 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 3bw9 s SER 61 CO 0.00 -0.32 0.73 -0.36 0.98 0.00 0.00 173.24 174.27 3bw9 s PHE 62 N -2.01 3.52 0.01 5.02 0.08 0.08 -0.61 117.98 124.07 3bw9 s PHE 62 Ca 0.59 0.80 -0.08 0.00 0.12 0.00 0.00 56.93 58.36 3bw9 s PHE 62 Cb -0.12 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 3bw9 s PHE 62 CO 0.17 -0.14 0.16 1.52 -0.10 0.00 0.00 175.22 176.82 3bw9 s TYR 63 N -2.52 0.05 -0.08 0.36 -0.85 -0.79 -1.50 117.35 112.01 3bw9 s TYR 63 Ca 0.47 -0.17 -0.14 0.00 -0.52 0.00 0.00 57.07 56.70 3bw9 s TYR 63 Cb -0.10 -0.05 0.03 0.00 0.38 0.00 0.00 41.96 42.22 3bw9 s TYR 63 CO 0.39 -0.33 0.36 -0.51 -1.52 0.00 0.00 175.55 173.93 3bw9 s LEU 64 N -1.59 0.65 -0.19 -3.49 1.43 -0.38 -3.68 118.68 111.42 3bw9 s LEU 64 Ca -0.12 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 3bw9 s LEU 64 Cb -0.06 1.32 -0.01 0.00 0.03 0.00 0.00 46.19 47.48 3bw9 s LEU 64 CO 0.00 -0.28 -0.07 -0.22 0.23 0.00 0.00 176.35 176.01 3bw9 s LEU 65 N -0.51 2.87 -0.12 1.79 2.96 -1.26 -1.40 118.68 123.01 3bw9 s LEU 65 Ca -0.06 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3bw9 s LEU 65 Cb -0.04 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3bw9 s LEU 65 CO 0.02 0.04 0.08 -0.31 -1.32 0.00 0.00 176.35 174.87 3bw9 s TYR 66 N 1.09 3.38 0.06 5.38 1.51 -0.00 -0.69 117.35 128.09 3bw9 s TYR 66 Ca 0.01 0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 56.25 3bw9 s TYR 66 Cb -0.15 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.82 3bw9 s TYR 66 CO -0.01 0.53 0.35 1.52 -1.11 0.00 0.00 175.55 176.84 3bw9 s TYR 67 N -0.70 -0.16 -0.01 2.71 1.13 -0.42 -0.22 117.35 119.68 3bw9 s TYR 67 Ca 0.12 0.01 -0.22 0.00 -1.41 0.00 0.00 57.07 55.57 3bw9 s TYR 67 Cb -0.12 0.16 0.04 0.00 -1.10 0.00 0.00 41.96 40.94 3bw9 s TYR 67 CO 0.03 -0.57 0.47 -0.08 -2.51 0.00 0.00 175.55 172.89 3bw9 s THR 68 N -2.85 0.04 0.39 -3.49 -1.32 -0.80 -1.45 115.64 106.15 3bw9 s THR 68 Ca -0.03 -0.29 -0.26 0.00 -1.21 0.00 0.00 61.69 59.90 3bw9 s THR 68 Cb 0.00 -0.85 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 3bw9 s THR 68 CO -0.05 -0.16 1.28 -1.83 -2.21 0.00 0.00 174.62 171.64 3bw9 s GLU 69 N -1.66 4.05 0.05 7.08 4.04 -1.26 0.12 118.70 131.12 3bw9 s GLU 69 Ca -0.10 2.10 -0.21 0.00 0.04 0.00 0.00 54.97 56.80 3bw9 s GLU 69 Cb -0.02 -2.80 0.05 0.00 0.02 0.00 0.00 34.13 31.38 3bw9 s GLU 69 CO 0.04 -0.41 0.49 -0.59 -1.84 0.00 0.00 175.26 172.95 3bw9 s PHE 70 N -1.27 -0.37 -0.31 4.83 -0.71 -0.91 -4.80 117.98 114.44 3bw9 s PHE 70 Ca 0.55 0.38 0.01 0.00 -1.04 0.00 0.00 56.93 56.84 3bw9 s PHE 70 Cb -0.37 0.31 0.07 0.00 -1.21 0.00 0.00 43.02 41.82 3bw9 s PHE 70 CO 0.48 -0.63 0.00 0.99 -1.34 0.00 0.00 175.22 174.72 3bw9 s THR 71 N -2.52 2.56 0.69 -4.49 2.01 -1.26 -0.09 115.64 112.53 3bw9 s THR 71 Ca -0.05 -1.81 -0.16 0.00 0.31 0.00 0.00 61.69 59.99 3bw9 s THR 71 Cb -0.01 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.89 3bw9 s THR 71 CO -0.02 -0.28 1.18 -2.16 -0.69 0.00 0.00 174.62 172.64 3bw9 s PRO 72 N 1.09 2.45 0.35 4.92 0.04 -1.26 -4.79 135.00 137.81 3bw9 s PRO 72 Ca -0.01 1.67 0.04 0.00 0.04 0.00 0.00 61.00 62.74 3bw9 s PRO 72 Cb -0.20 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3bw9 s PRO 72 CO -0.05 -1.58 0.37 0.95 0.04 0.00 0.00 177.00 176.74 3bw9 s THR 73 N -2.02 0.00 0.20 1.26 -4.23 -1.26 -0.79 115.64 108.80 3bw9 s THR 73 Ca 0.73 -1.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.34 3bw9 s THR 73 Cb -0.27 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.03 3bw9 s THR 73 CO 0.42 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 176.04 3bw9 h GLU 74 N 2.09 0.82 0.01 3.99 4.81 -1.97 -3.38 114.58 120.96 3bw9 h GLU 74 Ca -0.26 -0.33 -0.39 0.00 -0.13 0.00 0.00 59.36 58.25 3bw9 h GLU 74 Cb 1.23 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 3bw9 h GLU 74 CO 0.36 0.96 -2.44 1.63 -0.73 0.00 0.00 179.01 178.80 3bw9 n LYS 75 N -4.11 0.66 -1.65 1.92 5.02 -1.26 -4.95 118.16 113.78 3bw9 n LYS 75 Ca 0.00 0.16 -0.47 0.00 -2.02 0.00 0.00 58.31 55.99 3bw9 n LYS 75 Cb 0.43 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 3bw9 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bw9 n ASP 76 N -3.31 2.67 -4.76 4.39 8.00 -1.26 -4.97 116.55 117.31 3bw9 n ASP 76 Ca -0.45 1.11 -0.36 0.00 0.71 0.00 0.00 54.79 55.80 3bw9 n ASP 76 Cb 0.99 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 3bw9 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3bw9 s GLU 77 N 0.33 3.17 0.12 -1.24 2.02 -1.26 -4.73 118.70 117.12 3bw9 s GLU 77 Ca 0.76 -0.29 0.09 0.00 0.02 0.00 0.00 54.97 55.54 3bw9 s GLU 77 Cb -0.72 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3bw9 s GLU 77 CO 0.44 0.74 -0.22 0.71 0.02 0.00 0.00 175.26 176.95 3bw9 s TYR 78 N -0.95 1.92 0.27 1.61 2.02 -1.26 0.28 117.35 121.25 3bw9 s TYR 78 Ca 0.14 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.23 3bw9 s TYR 78 Cb -0.12 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3bw9 s TYR 78 CO 0.03 0.27 0.66 0.00 -1.57 0.00 0.00 175.55 174.94 3bw9 s ALA 79 N -1.32 -0.97 -0.02 3.71 0.00 -0.71 0.26 121.76 122.71 3bw9 s ALA 79 Ca 0.10 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.67 3bw9 s ALA 79 Cb -0.09 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 3bw9 s ALA 79 CO 0.05 -0.99 -0.19 0.00 0.00 0.00 0.00 175.76 174.64 3bw9 s ARG 81 N -0.82 3.08 -0.10 0.00 3.52 0.19 -2.01 118.95 122.81 3bw9 s ARG 81 Ca 0.12 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.96 3bw9 s ARG 81 Cb -0.10 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.68 3bw9 s ARG 81 CO 0.01 -0.14 -0.23 0.08 -0.81 0.00 0.00 175.30 174.21 3bw9 s VAL 82 N 1.16 1.97 0.05 7.11 1.01 -0.00 -1.08 120.40 130.62 3bw9 s VAL 82 Ca 0.01 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3bw9 s VAL 82 Cb -0.14 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3bw9 s VAL 82 CO -0.08 0.54 -0.19 0.21 0.00 0.00 0.00 175.10 175.59 3bw9 s ASN 83 N 0.39 2.24 0.15 3.32 2.47 0.20 -0.05 114.94 123.66 3bw9 s ASN 83 Ca -0.18 -0.53 -0.16 0.00 0.42 0.00 0.00 52.86 52.41 3bw9 s ASN 83 Cb -0.18 -0.16 0.03 0.00 -1.45 0.00 0.00 41.25 39.49 3bw9 s ASN 83 CO 0.08 0.10 0.42 -2.28 -3.72 0.00 0.00 177.10 171.70 3bw9 s HIS 84 N -0.88 -0.11 0.53 0.43 5.65 -1.26 -1.35 115.29 118.29 3bw9 s HIS 84 Ca 0.05 -0.22 0.21 0.00 0.25 0.00 0.00 55.06 55.35 3bw9 s HIS 84 Cb -0.09 0.26 1.42 0.00 -1.18 0.00 0.00 32.58 33.00 3bw9 s HIS 84 CO 0.02 -0.76 2.16 -0.24 -0.65 0.00 0.00 174.74 175.27 3bw9 h VAL 85 N 2.34 0.84 0.00 0.89 3.04 -1.95 -1.29 116.25 120.13 3bw9 h VAL 85 Ca -0.32 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3bw9 h VAL 85 Cb 1.25 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 3bw9 h VAL 85 CO 0.45 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.38 3bw9 n THR 86 N -4.25 0.62 -3.95 3.17 -2.24 -1.26 -4.72 114.28 101.65 3bw9 n THR 86 Ca -0.03 0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 3bw9 n THR 86 Cb 0.11 -0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 67.42 3bw9 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bw9 s LEU 87 N -3.76 3.80 -0.41 3.22 1.43 -0.49 -5.01 118.68 117.47 3bw9 s LEU 87 Ca 0.09 0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 3bw9 s LEU 87 Cb 0.12 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.39 3bw9 s LEU 87 CO 0.44 0.14 0.74 -0.94 0.23 0.00 0.00 176.35 176.96 3bw9 s SER 88 N 0.58 6.44 0.00 2.29 1.04 -1.26 -4.68 113.70 118.10 3bw9 s SER 88 Ca 0.04 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3bw9 s SER 88 Cb -0.13 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3bw9 s SER 88 CO 0.01 -0.79 0.00 0.00 0.98 0.00 0.00 173.24 173.44 3bw9 n GLN 89 N 6.46 0.00 -1.50 4.02 6.02 -1.26 -4.96 117.38 126.16 3bw9 n GLN 89 Ca 0.01 0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.64 3bw9 n GLN 89 Cb 0.48 0.00 0.05 0.00 1.02 0.00 0.00 30.24 31.79 3bw9 n GLN 89 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3bw9 n PRO 90 N -0.23 0.61 -3.96 -1.09 -0.02 -1.26 -4.96 135.00 124.10 3bw9 n PRO 90 Ca 0.00 0.24 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 3bw9 n PRO 90 Cb 0.00 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 3bw9 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3bw9 s LYS 91 N -2.43 3.85 -0.21 -0.52 2.20 0.93 -4.91 119.74 118.66 3bw9 s LYS 91 Ca 0.71 -0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 3bw9 s LYS 91 Cb -0.42 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3bw9 s LYS 91 CO 0.52 0.40 -0.02 0.42 -0.36 0.00 0.00 175.35 176.30 3bw9 s ILE 92 N 0.02 3.65 -0.19 5.43 -1.09 -1.26 -0.82 121.20 126.94 3bw9 s ILE 92 Ca 0.07 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 3bw9 s ILE 92 Cb -0.12 -2.65 0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3bw9 s ILE 92 CO 0.00 0.43 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.29 3bw9 s VAL 93 N 1.20 2.33 0.39 2.92 1.01 -0.85 -5.00 120.40 122.39 3bw9 s VAL 93 Ca 0.03 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 3bw9 s VAL 93 Cb -0.14 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 3bw9 s VAL 93 CO 0.00 0.50 0.92 -0.54 0.00 0.00 0.00 175.10 175.97 3bw9 s LYS 94 N 1.32 4.28 -0.03 2.72 1.02 -1.26 -0.79 119.74 127.00 3bw9 s LYS 94 Ca 0.05 1.10 -0.30 0.00 0.02 0.00 0.00 55.97 56.84 3bw9 s LYS 94 Cb -0.13 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 3bw9 s LYS 94 CO -0.11 0.08 1.42 -0.46 -0.92 0.00 0.00 175.35 175.35 3bw9 s TRP 95 N -2.01 2.73 -0.22 3.18 -0.00 0.14 -4.87 118.94 117.89 3bw9 s TRP 95 Ca 0.58 0.76 0.02 0.00 -0.00 0.00 0.00 56.10 57.46 3bw9 s TRP 95 Cb -0.12 -3.67 0.04 0.00 -0.00 0.00 0.00 33.47 29.72 3bw9 s TRP 95 CO 0.16 -2.53 -0.15 0.34 -0.00 0.00 0.00 176.95 174.77 3bw9 s ASP 96 N 2.10 3.86 0.00 5.86 -1.08 -1.26 -4.72 116.67 121.43 3bw9 s ASP 96 Ca 0.64 -1.06 0.02 0.00 -0.52 0.00 0.00 52.55 51.63 3bw9 s ASP 96 Cb -0.30 -1.52 0.10 0.00 -1.46 0.00 0.00 42.92 39.74 3bw9 s ASP 96 CO 0.25 -0.10 1.04 -2.11 0.52 0.00 0.00 175.17 174.77 3bw9 n ARG 97 N 4.52 0.01 -0.57 4.34 1.85 -1.26 -0.63 116.66 124.91 3bw9 n ARG 97 Ca -0.17 0.43 0.09 0.00 -1.00 0.00 0.00 57.85 57.20 3bw9 n ARG 97 Cb 0.46 -1.50 0.34 0.00 -1.05 0.00 0.00 32.46 30.70 3bw9 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3bw9 n ASP 98 N -1.46 4.58 0.00 2.89 8.00 -1.26 -4.88 116.55 124.42 3bw9 n ASP 98 Ca 0.01 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.06 3bw9 n ASP 98 Cb 0.03 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 3bw9 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04