#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqr s ARG 2 N 0.00 1.61 0.34 2.61 0.52 -1.01 -4.99 118.95 118.02 3fqr s ARG 2 Ca 0.00 -0.29 -0.26 0.00 -0.52 0.00 0.00 55.73 54.67 3fqr s ARG 2 Cb 0.00 -1.64 -0.10 0.00 0.52 0.00 0.00 34.95 33.73 3fqr s ARG 2 CO 0.00 -0.26 0.96 0.95 0.02 0.00 0.00 175.30 176.97 3fqr s THR 3 N 1.68 4.15 0.25 0.02 -4.23 -1.26 -1.86 115.64 114.38 3fqr s THR 3 Ca 0.05 1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 62.01 3fqr s THR 3 Cb -0.13 -3.95 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 3fqr s THR 3 CO -0.08 0.11 1.28 -2.84 -0.54 0.00 0.00 174.62 172.54 3fqr s PRO 4 N -2.15 4.41 0.21 3.99 0.02 -1.26 -4.25 135.00 135.97 3fqr s PRO 4 Ca 0.52 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 63.45 3fqr s PRO 4 Cb -0.19 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.10 3fqr s PRO 4 CO 0.24 -0.17 0.63 0.15 -0.33 0.00 0.00 177.00 177.52 3fqr s LYS 5 N -0.77 4.05 -0.05 5.54 1.02 0.67 -4.91 119.74 125.28 3fqr s LYS 5 Ca 0.53 0.61 0.02 0.00 0.02 0.00 0.00 55.97 57.15 3fqr s LYS 5 Cb -0.37 -2.80 0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3fqr s LYS 5 CO 0.43 0.38 -0.10 0.42 -0.92 0.00 0.00 175.35 175.56 3fqr s ILE 6 N -1.61 0.93 -0.08 2.17 1.01 -1.26 -1.69 121.20 120.68 3fqr s ILE 6 Ca 0.43 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3fqr s ILE 6 Cb -0.14 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.48 3fqr s ILE 6 CO 0.20 0.30 -0.16 -1.10 0.00 0.00 0.00 174.94 174.18 3fqr s GLN 7 N 0.60 2.14 -0.13 2.79 -0.21 -0.48 -5.00 119.66 119.38 3fqr s GLN 7 Ca -0.11 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.69 3fqr s GLN 7 Cb -0.14 -1.70 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 3fqr s GLN 7 CO 0.02 0.07 -0.11 0.08 -2.12 0.00 0.00 175.29 173.23 3fqr s VAL 8 N 0.57 3.24 0.12 1.09 1.01 -1.26 -0.64 120.40 124.54 3fqr s VAL 8 Ca -0.16 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 3fqr s VAL 8 Cb -0.16 -2.38 0.07 0.00 0.00 0.00 0.00 36.38 33.91 3fqr s VAL 8 CO 0.05 0.52 0.88 -0.72 0.00 0.00 0.00 175.10 175.83 3fqr s TYR 9 N 0.33 -0.24 0.15 5.22 1.13 -0.56 -4.61 117.35 118.77 3fqr s TYR 9 Ca -0.09 -0.02 -0.01 0.00 -1.41 0.00 0.00 57.07 55.53 3fqr s TYR 9 Cb -0.15 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.27 3fqr s TYR 9 CO 0.05 -0.79 0.33 -1.54 -2.51 0.00 0.00 175.55 171.09 3fqr s SER 10 N -2.78 6.41 0.19 -0.18 1.04 -1.26 -0.25 113.70 116.86 3fqr s SER 10 Ca 0.09 0.41 -0.09 0.00 0.48 0.00 0.00 55.95 56.84 3fqr s SER 10 Cb -0.02 -2.01 0.10 0.00 0.10 0.00 0.00 66.02 64.19 3fqr s SER 10 CO -0.02 0.04 1.69 -0.09 0.98 0.00 0.00 173.24 175.85 3fqr h ARG 11 N 2.52 1.11 -6.59 4.02 2.43 -1.58 -3.44 114.38 112.85 3fqr h ARG 11 Ca -0.47 -0.29 -0.65 0.00 -0.81 0.00 0.00 59.98 57.76 3fqr h ARG 11 Cb 1.18 -0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 30.42 3fqr h ARG 11 CO 0.71 1.01 -0.79 -1.01 -1.51 0.00 0.00 179.97 178.38 3fqr s HIS 12 N -5.24 2.46 0.14 2.20 3.76 -1.26 -5.05 115.29 112.30 3fqr s HIS 12 Ca -0.12 -0.29 -0.35 0.00 -0.15 0.00 0.00 55.06 54.15 3fqr s HIS 12 Cb 0.14 -1.23 -0.15 0.00 1.11 0.00 0.00 32.58 32.45 3fqr s HIS 12 CO 0.85 0.48 1.49 -2.30 -0.85 0.00 0.00 174.74 174.40 3fqr n PRO 13 N 0.31 1.78 -2.56 8.40 -0.02 -1.26 -4.87 135.00 136.78 3fqr n PRO 13 Ca -0.13 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.59 3fqr n PRO 13 Cb 0.55 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3fqr n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fqr s ALA 14 N 0.73 3.39 -0.06 3.55 0.00 -1.26 -5.05 121.76 123.06 3fqr s ALA 14 Ca 0.81 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.59 3fqr s ALA 14 Cb -0.78 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.07 3fqr s ALA 14 CO 0.41 -0.04 -0.09 -1.21 0.00 0.00 0.00 175.76 174.83 3fqr s GLU 15 N -1.37 1.35 0.29 0.00 2.02 -1.26 -5.11 118.70 114.62 3fqr s GLU 15 Ca 0.43 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 3fqr s GLU 15 Cb -0.30 -1.18 -0.12 0.00 0.10 0.00 0.00 34.13 32.63 3fqr s GLU 15 CO 0.38 -0.02 1.57 0.09 0.02 0.00 0.00 175.26 177.30 3fqr n ASN 16 N 3.94 3.72 0.00 -0.19 3.02 -1.26 -1.85 115.26 122.64 3fqr n ASN 16 Ca -0.23 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 3fqr n ASN 16 Cb 0.51 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3fqr n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqr n GLY 17 N 2.08 0.92 3.26 7.41 0.00 0.03 -4.98 105.19 113.91 3fqr n GLY 17 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3fqr n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqr s LYS 18 N -0.42 3.25 0.48 1.61 1.02 -0.77 -5.01 119.74 119.90 3fqr s LYS 18 Ca 0.00 -0.69 -0.22 0.00 0.02 0.00 0.00 55.97 55.08 3fqr s LYS 18 Cb 0.00 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.31 3fqr s LYS 18 CO 0.00 -0.21 0.79 0.45 -0.92 0.00 0.00 175.35 175.46 3fqr n SER 19 N 4.75 0.18 -0.83 2.83 2.88 -1.26 -4.30 113.62 117.87 3fqr n SER 19 Ca -0.19 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 3fqr n SER 19 Cb 0.50 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3fqr n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3fqr n ASN 20 N 0.47 0.00 -4.02 -3.46 2.85 0.59 -4.99 115.26 106.71 3fqr n ASN 20 Ca 0.11 -0.83 -0.24 0.00 -0.11 0.00 0.00 54.58 53.51 3fqr n ASN 20 Cb 0.42 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.28 3fqr n ASN 20 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3fqr s PHE 21 N -7.06 1.35 -0.25 1.20 0.08 -1.26 -1.70 117.98 110.33 3fqr s PHE 21 Ca 0.00 -0.46 -0.13 0.00 0.12 0.00 0.00 56.93 56.46 3fqr s PHE 21 Cb 0.00 -0.99 -0.05 0.00 -0.57 0.00 0.00 43.02 41.42 3fqr s PHE 21 CO 0.00 -0.24 0.26 -1.17 -0.10 0.00 0.00 175.22 173.97 3fqr s LEU 22 N 0.58 4.07 -0.07 -0.37 2.96 0.57 -1.29 118.68 125.13 3fqr s LEU 22 Ca -0.12 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3fqr s LEU 22 Cb -0.15 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3fqr s LEU 22 CO 0.03 -0.05 -0.10 0.20 -1.32 0.00 0.00 176.35 175.11 3fqr s ASN 23 N 1.43 4.37 -0.21 3.68 0.01 0.65 -1.94 114.94 122.94 3fqr s ASN 23 Ca 0.11 -0.12 0.01 0.00 -0.71 0.00 0.00 52.86 52.15 3fqr s ASN 23 Cb -0.15 -1.15 0.05 0.00 0.41 0.00 0.00 41.25 40.41 3fqr s ASN 23 CO 0.08 0.32 -0.10 0.00 -1.51 0.00 0.00 177.10 175.90 3fqr s TYR 25 N 1.36 3.18 -0.11 0.00 5.04 0.19 -0.80 117.35 126.21 3fqr s TYR 25 Ca -0.03 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.20 3fqr s TYR 25 Cb -0.17 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 3fqr s TYR 25 CO -0.07 -0.39 -0.08 0.14 -1.34 0.00 0.00 175.55 173.80 3fqr s VAL 26 N 1.65 3.52 0.22 3.14 -7.23 -0.45 -1.38 120.40 119.88 3fqr s VAL 26 Ca 0.05 -0.52 -0.13 0.00 -1.81 0.00 0.00 61.98 59.58 3fqr s VAL 26 Cb -0.17 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.30 3fqr s VAL 26 CO 0.07 0.55 0.44 -0.94 -0.31 0.00 0.00 175.10 174.91 3fqr s SER 27 N -0.15 -0.09 -1.18 4.85 1.04 -0.68 -1.09 113.70 116.40 3fqr s SER 27 Ca 0.01 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3fqr s SER 27 Cb -0.13 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3fqr s SER 27 CO 0.03 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3fqr n GLY 28 N -0.34 1.24 3.81 7.32 0.00 -0.60 -0.24 105.19 116.39 3fqr n GLY 28 Ca -0.04 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 3fqr n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3fqr s PHE 29 N -2.40 3.16 -0.25 1.61 -0.71 -1.21 -4.28 117.98 113.91 3fqr s PHE 29 Ca 0.00 -0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 55.68 3fqr s PHE 29 Cb 0.00 -1.50 0.07 0.00 -1.21 0.00 0.00 43.02 40.38 3fqr s PHE 29 CO 0.00 0.52 0.64 -1.58 -1.34 0.00 0.00 175.22 173.46 3fqr s HIS 30 N -1.82 -0.82 0.72 3.49 2.46 -0.78 -0.84 115.29 117.71 3fqr s HIS 30 Ca 0.31 1.83 -0.12 0.00 0.47 0.00 0.00 55.06 57.55 3fqr s HIS 30 Cb -0.10 0.38 0.17 0.00 -0.13 0.00 0.00 32.58 32.91 3fqr s HIS 30 CO 0.24 -0.41 0.79 -2.30 -2.47 0.00 0.00 174.74 170.60 3fqr n PRO 31 N 3.43 -1.63 0.18 2.88 -0.02 -1.26 -0.92 135.00 137.65 3fqr n PRO 31 Ca -0.17 -1.24 0.08 0.00 -2.02 0.00 0.00 63.50 60.14 3fqr n PRO 31 Cb 0.57 -0.98 0.09 0.00 -0.02 0.00 0.00 33.50 33.16 3fqr n PRO 31 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fqr h SER 32 N -1.64 0.00 -2.83 2.55 4.64 -1.99 -3.45 113.55 110.83 3fqr h SER 32 Ca -0.28 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.52 3fqr h SER 32 Cb 0.80 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.93 3fqr h SER 32 CO 0.19 0.23 0.87 -1.81 -0.87 0.00 0.00 176.83 175.44 3fqr s ASP 33 N -6.28 6.62 -0.05 4.97 1.01 -1.26 -4.97 116.67 116.71 3fqr s ASP 33 Ca 0.05 2.57 -0.27 0.00 0.71 0.00 0.00 52.55 55.61 3fqr s ASP 33 Cb 0.06 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.46 3fqr s ASP 33 CO 0.71 -0.81 0.59 -0.51 0.21 0.00 0.00 175.17 175.37 3fqr s ILE 34 N 1.27 0.01 -0.22 0.77 2.07 -1.26 -4.67 121.20 119.17 3fqr s ILE 34 Ca 0.70 -0.11 -0.03 0.00 -1.41 0.00 0.00 60.65 59.80 3fqr s ILE 34 Cb -0.42 -0.91 0.00 0.00 0.13 0.00 0.00 42.46 41.26 3fqr s ILE 34 CO 0.31 -0.06 -0.06 -1.61 -1.91 0.00 0.00 174.94 171.61 3fqr s GLU 35 N -1.18 3.23 -0.10 3.50 2.02 -0.10 -5.00 118.70 121.08 3fqr s GLU 35 Ca -0.11 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3fqr s GLU 35 Cb -0.01 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.28 3fqr s GLU 35 CO 0.08 -0.24 -0.10 0.08 0.02 0.00 0.00 175.26 175.11 3fqr s VAL 36 N 1.43 1.12 0.06 2.63 1.01 -1.26 -0.79 120.40 124.60 3fqr s VAL 36 Ca 0.05 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.74 3fqr s VAL 36 Cb -0.14 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3fqr s VAL 36 CO -0.05 0.37 -0.25 -1.81 0.00 0.00 0.00 175.10 173.37 3fqr s ASP 37 N 1.38 2.97 -0.12 3.32 1.01 -0.18 -4.99 116.67 120.06 3fqr s ASP 37 Ca -0.01 -0.60 -0.07 0.00 0.71 0.00 0.00 52.55 52.58 3fqr s ASP 37 Cb -0.14 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.51 3fqr s ASP 37 CO -0.05 0.21 0.13 -0.76 0.21 0.00 0.00 175.17 174.91 3fqr s LEU 38 N -1.40 4.33 0.01 1.23 1.43 -1.26 -0.68 118.68 122.34 3fqr s LEU 38 Ca 0.11 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.72 3fqr s LEU 38 Cb -0.10 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 3fqr s LEU 38 CO 0.03 0.39 -0.26 -0.76 0.23 0.00 0.00 176.35 175.98 3fqr s LEU 39 N -0.91 2.12 -0.19 1.79 1.43 0.63 -0.71 118.68 122.83 3fqr s LEU 39 Ca 0.14 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3fqr s LEU 39 Cb -0.12 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.81 3fqr s LEU 39 CO 0.03 0.30 -0.16 -0.75 0.23 0.00 0.00 176.35 176.00 3fqr s LYS 40 N -0.88 2.64 -1.59 1.70 2.20 -0.15 -1.65 119.74 122.01 3fqr s LYS 40 Ca 0.11 -0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 54.67 3fqr s LYS 40 Cb -0.10 -2.56 0.11 0.00 -1.51 0.00 0.00 37.83 33.77 3fqr s LYS 40 CO 0.00 -0.31 0.86 0.09 -0.36 0.00 0.00 175.35 175.63 3fqr n ASN 41 N 4.61 -3.79 0.00 1.43 3.02 0.13 -1.65 115.26 119.01 3fqr n ASN 41 Ca -0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3fqr n ASN 41 Cb 0.48 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 3fqr n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fqr n GLY 42 N -1.58 1.95 3.80 7.41 0.00 -1.26 -5.02 105.19 110.49 3fqr n GLY 42 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3fqr n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqr s GLU 43 N -0.28 3.20 0.23 1.61 2.02 -0.66 -5.01 118.70 119.81 3fqr s GLU 43 Ca 0.00 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 3fqr s GLU 43 Cb 0.00 -2.97 -0.10 0.00 0.10 0.00 0.00 34.13 31.16 3fqr s GLU 43 CO 0.00 0.70 1.50 0.50 0.02 0.00 0.00 175.26 177.98 3fqr s ARG 44 N -1.37 4.23 -0.02 1.61 3.52 -1.26 -0.98 118.95 124.67 3fqr s ARG 44 Ca 0.19 2.36 -0.26 0.00 -0.13 0.00 0.00 55.73 57.89 3fqr s ARG 44 Cb -0.12 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3fqr s ARG 44 CO 0.09 -0.51 0.81 0.42 -0.81 0.00 0.00 175.30 175.30 3fqr s ILE 45 N 0.34 4.92 -0.00 4.11 1.01 0.11 -4.86 121.20 126.82 3fqr s ILE 45 Ca 0.63 1.70 -0.05 0.00 0.00 0.00 0.00 60.65 62.94 3fqr s ILE 45 Cb -0.43 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 3fqr s ILE 45 CO 0.40 0.24 0.69 -0.33 0.00 0.00 0.00 174.94 175.94 3fqr h GLU 46 N 6.55 -0.16 -5.19 2.79 4.39 -1.94 -3.39 114.58 117.63 3fqr h GLU 46 Ca -0.42 0.01 -0.70 0.00 0.34 0.00 0.00 59.36 58.59 3fqr h GLU 46 Cb 1.21 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.79 3fqr h GLU 46 CO 0.74 -0.11 2.15 0.36 -1.16 0.00 0.00 179.01 181.00 3fqr n LYS 47 N -2.66 3.21 -4.45 2.33 2.85 -1.26 -4.93 118.16 113.26 3fqr n LYS 47 Ca -0.02 -3.32 -0.34 0.00 -1.05 0.00 0.00 58.31 53.58 3fqr n LYS 47 Cb 0.07 -3.33 -0.11 0.00 -0.65 0.00 0.00 35.03 31.00 3fqr n LYS 47 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3fqr s VAL 48 N 3.25 3.93 0.34 0.58 1.01 -1.26 -4.76 120.40 123.48 3fqr s VAL 48 Ca 0.50 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.19 3fqr s VAL 48 Cb 0.04 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3fqr s VAL 48 CO 0.03 0.54 0.20 -1.61 0.00 0.00 0.00 175.10 174.26 3fqr s GLU 49 N -0.14 2.48 0.06 2.72 2.02 -0.72 -4.94 118.70 120.18 3fqr s GLU 49 Ca 0.03 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.49 3fqr s GLU 49 Cb -0.13 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 3fqr s GLU 49 CO 0.02 0.09 0.07 -3.38 0.02 0.00 0.00 175.26 172.08 3fqr s HIS 50 N -2.40 0.32 0.96 1.61 -3.43 -1.26 -1.20 115.29 109.89 3fqr s HIS 50 Ca 0.39 -0.77 -0.12 0.00 -0.80 0.00 0.00 55.06 53.77 3fqr s HIS 50 Cb -0.03 -0.22 0.17 0.00 -1.43 0.00 0.00 32.58 31.06 3fqr s HIS 50 CO 0.24 -0.42 1.09 -1.54 -2.00 0.00 0.00 174.74 172.11 3fqr s SER 51 N -2.67 2.92 0.10 7.38 1.04 -0.07 -4.99 113.70 117.42 3fqr s SER 51 Ca 0.03 1.35 -0.30 0.00 0.48 0.00 0.00 55.95 57.51 3fqr s SER 51 Cb 0.04 -2.03 -0.06 0.00 0.10 0.00 0.00 66.02 64.08 3fqr s SER 51 CO -0.09 -2.96 1.04 -1.81 0.98 0.00 0.00 173.24 170.39 3fqr s ASP 52 N -3.38 7.35 0.04 7.02 1.01 -1.26 -4.77 116.67 122.67 3fqr s ASP 52 Ca 0.65 1.88 -0.36 0.00 0.71 0.00 0.00 52.55 55.43 3fqr s ASP 52 Cb -0.19 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.00 3fqr s ASP 52 CO 0.58 -0.21 1.52 -0.11 0.21 0.00 0.00 175.17 177.16 3fqr n LEU 53 N 3.06 2.35 0.00 1.23 7.94 -1.26 -4.96 117.00 125.36 3fqr n LEU 53 Ca 0.04 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.87 3fqr n LEU 53 Cb 0.48 -1.27 -0.06 0.00 0.53 0.00 0.00 43.42 43.11 3fqr n LEU 53 CO 0.53 -0.64 -0.03 -0.24 -1.11 0.00 0.00 177.39 175.89 3fqr n SER 54 N 3.59 -0.73 -3.75 1.96 2.88 -1.22 -5.05 113.62 111.30 3fqr n SER 54 Ca 0.20 -2.81 -0.10 0.00 -1.33 0.00 0.00 58.87 54.83 3fqr n SER 54 Cb 0.22 1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 65.22 3fqr n SER 54 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fqr s PHE 55 N -3.16 -0.02 0.58 0.66 -0.12 -1.26 -1.77 117.98 112.89 3fqr s PHE 55 Ca 0.32 -0.33 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 3fqr s PHE 55 Cb 0.01 0.19 0.11 0.00 -0.63 0.00 0.00 43.02 42.70 3fqr s PHE 55 CO 0.23 -0.74 0.80 0.43 -0.05 0.00 0.00 175.22 175.88 3fqr n SER 56 N -0.23 1.29 -0.06 1.98 7.64 -0.13 -4.94 113.62 119.18 3fqr n SER 56 Ca -0.13 -2.04 0.03 0.00 1.01 0.00 0.00 58.87 57.74 3fqr n SER 56 Cb 0.63 -0.49 0.37 0.00 -1.01 0.00 0.00 64.21 63.71 3fqr n SER 56 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3fqr h LYS 57 N 0.00 0.67 -0.11 1.43 3.64 -2.03 -0.48 116.57 119.69 3fqr h LYS 57 Ca -0.26 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3fqr h LYS 57 Cb 1.03 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3fqr h LYS 57 CO 0.30 0.45 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 3fqr n ASP 58 N -4.46 0.61 0.00 4.20 5.68 -1.26 -4.88 116.55 116.45 3fqr n ASP 58 Ca 0.04 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3fqr n ASP 58 Cb 0.05 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 3fqr n ASP 58 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fqr n TRP 59 N -0.18 0.00 -2.44 2.11 7.02 -0.19 -5.01 117.44 118.74 3fqr n TRP 59 Ca 0.05 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.16 3fqr n TRP 59 Cb 0.10 -0.24 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 3fqr n TRP 59 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3fqr s SER 60 N -3.01 6.48 0.43 -0.99 1.04 -1.26 -4.67 113.70 111.73 3fqr s SER 60 Ca 0.00 2.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 3fqr s SER 60 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 3fqr s SER 60 CO 0.00 -0.69 0.77 -0.36 0.98 0.00 0.00 173.24 173.94 3fqr s PHE 61 N -1.66 3.51 0.01 5.02 0.08 -0.02 -0.95 117.98 123.96 3fqr s PHE 61 Ca 0.61 0.93 -0.01 0.00 0.12 0.00 0.00 56.93 58.58 3fqr s PHE 61 Cb -0.23 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.84 3fqr s PHE 61 CO 0.29 -0.17 0.01 1.52 -0.10 0.00 0.00 175.22 176.77 3fqr s TYR 62 N -2.51 0.14 -0.02 0.36 1.13 -0.73 -1.55 117.35 114.16 3fqr s TYR 62 Ca 0.49 -0.28 -0.05 0.00 -1.41 0.00 0.00 57.07 55.83 3fqr s TYR 62 Cb -0.10 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.66 3fqr s TYR 62 CO 0.37 -0.14 0.11 -0.51 -2.51 0.00 0.00 175.55 172.87 3fqr s LEU 63 N -0.95 1.60 -0.19 -3.49 1.43 -0.25 -3.41 118.68 113.42 3fqr s LEU 63 Ca -0.10 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3fqr s LEU 63 Cb -0.06 0.48 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 3fqr s LEU 63 CO -0.00 -0.18 -0.02 -0.22 0.23 0.00 0.00 176.35 176.15 3fqr s LEU 64 N -0.58 3.13 -0.11 1.79 2.96 -1.26 -1.35 118.68 123.27 3fqr s LEU 64 Ca -0.07 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3fqr s LEU 64 Cb -0.04 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3fqr s LEU 64 CO 0.01 0.07 0.07 -0.31 -1.32 0.00 0.00 176.35 174.86 3fqr s TYR 65 N 0.97 3.38 0.03 5.38 1.51 0.02 -0.89 117.35 127.75 3fqr s TYR 65 Ca 0.01 0.35 -0.22 0.00 -1.01 0.00 0.00 57.07 56.20 3fqr s TYR 65 Cb -0.14 -1.88 0.05 0.00 -0.11 0.00 0.00 41.96 39.88 3fqr s TYR 65 CO 0.01 0.58 0.49 1.52 -1.11 0.00 0.00 175.55 177.05 3fqr s TYR 66 N -0.89 -0.39 0.08 2.71 1.13 -0.34 -0.31 117.35 119.35 3fqr s TYR 66 Ca 0.14 0.46 -0.21 0.00 -1.41 0.00 0.00 57.07 56.05 3fqr s TYR 66 Cb -0.12 0.30 0.05 0.00 -1.10 0.00 0.00 41.96 41.09 3fqr s TYR 66 CO 0.03 -0.60 0.51 -0.08 -2.51 0.00 0.00 175.55 172.90 3fqr s THR 67 N -2.23 0.03 0.40 -3.49 -1.32 -0.82 -1.76 115.64 106.46 3fqr s THR 67 Ca -0.07 -0.27 -0.25 0.00 -1.21 0.00 0.00 61.69 59.90 3fqr s THR 67 Cb -0.01 -1.02 -0.09 0.00 -1.51 0.00 0.00 72.50 69.87 3fqr s THR 67 CO -0.00 -0.15 1.11 -1.61 -2.21 0.00 0.00 174.62 171.76 3fqr s GLU 68 N -2.96 4.12 0.15 7.08 2.02 -1.26 -0.32 118.70 127.53 3fqr s GLU 68 Ca -0.02 1.68 -0.16 0.00 0.02 0.00 0.00 54.97 56.49 3fqr s GLU 68 Cb -0.00 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.63 3fqr s GLU 68 CO -0.06 -0.22 0.44 -0.59 0.02 0.00 0.00 175.26 174.85 3fqr s PHE 69 N -1.51 -0.13 -0.26 1.61 -0.71 -0.69 -4.79 117.98 111.50 3fqr s PHE 69 Ca 0.57 -0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.29 3fqr s PHE 69 Cb -0.27 0.29 0.06 0.00 -1.21 0.00 0.00 43.02 41.89 3fqr s PHE 69 CO 0.33 -0.78 -0.11 0.99 -1.34 0.00 0.00 175.22 174.31 3fqr s THR 70 N -3.84 2.14 0.31 -4.49 2.01 -1.26 -0.30 115.64 110.20 3fqr s THR 70 Ca 0.06 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.17 3fqr s THR 70 Cb 0.01 -2.25 -0.13 0.00 0.01 0.00 0.00 72.50 70.14 3fqr s THR 70 CO -0.08 -0.03 1.27 -2.65 -0.69 0.00 0.00 174.62 172.45 3fqr n PRO 71 N 4.44 1.99 -4.17 4.92 -0.02 -1.26 -4.81 135.00 136.09 3fqr n PRO 71 Ca -0.14 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3fqr n PRO 71 Cb 0.42 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 3fqr n PRO 71 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3fqr s THR 72 N -0.87 0.00 0.29 3.45 -4.23 -1.26 -0.79 115.64 112.23 3fqr s THR 72 Ca 0.59 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 3fqr s THR 72 Cb -0.61 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 70.86 3fqr s THR 72 CO 0.59 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 176.10 3fqr h GLU 73 N 2.52 0.51 0.00 3.99 5.08 -1.97 -3.34 114.58 121.36 3fqr h GLU 73 Ca -0.33 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 57.62 3fqr h GLU 73 Cb 1.25 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 3fqr h GLU 73 CO 0.49 0.67 -2.12 1.63 -1.00 0.00 0.00 179.01 178.68 3fqr n LYS 74 N -4.16 0.67 -2.98 2.33 5.02 -1.26 -4.95 118.16 112.82 3fqr n LYS 74 Ca 0.00 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.87 3fqr n LYS 74 Cb 0.37 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 3fqr n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fqr s ASP 75 N -5.27 7.33 -0.18 4.39 1.01 -1.26 -5.05 116.67 117.64 3fqr s ASP 75 Ca -0.08 1.57 -0.06 0.00 0.71 0.00 0.00 52.55 54.69 3fqr s ASP 75 Cb 0.09 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 3fqr s ASP 75 CO 0.85 0.14 0.04 -0.70 0.21 0.00 0.00 175.17 175.71 3fqr s GLU 76 N -0.75 3.87 0.12 8.23 -6.30 -1.26 -4.69 118.70 117.92 3fqr s GLU 76 Ca 0.37 -0.40 0.09 0.00 -2.50 0.00 0.00 54.97 52.52 3fqr s GLU 76 Cb -0.22 -3.15 -0.04 0.00 0.00 0.00 0.00 34.13 30.72 3fqr s GLU 76 CO 0.25 0.22 -0.15 0.71 0.02 0.00 0.00 175.26 176.30 3fqr s TYR 77 N 0.50 2.59 0.24 5.30 2.02 -1.26 0.19 117.35 126.93 3fqr s TYR 77 Ca 0.01 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.29 3fqr s TYR 77 Cb -0.13 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.10 3fqr s TYR 77 CO 0.01 0.41 0.62 0.00 -1.57 0.00 0.00 175.55 175.02 3fqr s ALA 78 N -1.23 -1.06 -0.07 3.71 0.00 -0.66 -0.69 121.76 121.76 3fqr s ALA 78 Ca 0.20 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.96 3fqr s ALA 78 Cb -0.10 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3fqr s ALA 78 CO 0.11 -0.91 -0.25 0.00 0.00 0.00 0.00 175.76 174.71 3fqr s ARG 80 N -0.05 3.03 -0.07 0.00 3.52 0.15 -0.96 118.95 124.57 3fqr s ARG 80 Ca -0.07 -0.84 0.04 0.00 -0.13 0.00 0.00 55.73 54.73 3fqr s ARG 80 Cb -0.15 -2.49 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 3fqr s ARG 80 CO 0.05 -0.07 -0.18 0.08 -0.81 0.00 0.00 175.30 174.37 3fqr s VAL 81 N 0.95 1.58 0.07 7.11 1.01 0.00 -1.01 120.40 130.10 3fqr s VAL 81 Ca -0.04 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3fqr s VAL 81 Cb -0.15 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3fqr s VAL 81 CO -0.05 0.45 -0.19 0.21 0.00 0.00 0.00 175.10 175.53 3fqr s ASN 82 N 0.35 2.24 0.05 3.32 2.47 0.03 -0.46 114.94 122.95 3fqr s ASN 82 Ca -0.13 -0.58 -0.27 0.00 0.42 0.00 0.00 52.86 52.30 3fqr s ASN 82 Cb -0.15 -0.14 0.07 0.00 -1.45 0.00 0.00 41.25 39.57 3fqr s ASN 82 CO 0.05 0.07 0.64 -2.28 -3.72 0.00 0.00 177.10 171.86 3fqr s HIS 83 N -1.00 -0.60 0.46 0.43 5.65 -1.26 -0.92 115.29 118.05 3fqr s HIS 83 Ca 0.05 0.74 0.17 0.00 0.25 0.00 0.00 55.06 56.27 3fqr s HIS 83 Cb -0.09 0.48 1.14 0.00 -1.18 0.00 0.00 32.58 32.93 3fqr s HIS 83 CO 0.03 -0.72 1.99 -0.24 -0.65 0.00 0.00 174.74 175.14 3fqr h VAL 84 N 2.52 0.85 0.00 0.89 3.04 -1.95 0.15 116.25 121.74 3fqr h VAL 84 Ca -0.30 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3fqr h VAL 84 Cb 1.22 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3fqr h VAL 84 CO 0.38 0.05 0.00 0.35 -1.01 0.00 0.00 177.57 177.34 3fqr n THR 85 N -4.45 0.46 -4.24 3.17 -2.24 -1.26 -4.73 114.28 100.99 3fqr n THR 85 Ca 0.10 0.12 -0.34 0.00 -2.27 0.00 0.00 64.05 61.65 3fqr n THR 85 Cb 0.44 -0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 67.80 3fqr n THR 85 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fqr s LEU 86 N -2.84 3.48 0.43 3.22 1.43 0.04 -4.95 118.68 119.48 3fqr s LEU 86 Ca 0.14 -0.04 0.22 0.00 -1.03 0.00 0.00 54.13 53.42 3fqr s LEU 86 Cb 0.14 -1.86 0.88 0.00 0.03 0.00 0.00 46.19 45.39 3fqr s LEU 86 CO 0.37 0.17 1.82 0.77 0.23 0.00 0.00 176.35 179.71 3fqr h SER 87 N 6.68 0.00 -5.07 2.29 4.64 -1.84 -3.43 113.55 116.81 3fqr h SER 87 Ca -0.33 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.92 3fqr h SER 87 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 3fqr h SER 87 CO 0.66 0.26 -0.10 0.00 -0.87 0.00 0.00 176.83 176.78 3fqr s GLN 88 N -3.69 1.01 0.32 4.77 -2.07 -1.26 -5.14 119.66 113.60 3fqr s GLN 88 Ca 0.00 -0.62 -0.29 0.00 -1.82 0.00 0.00 55.36 52.63 3fqr s GLN 88 Cb 0.11 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.35 3fqr s GLN 88 CO 0.65 -0.38 1.45 -2.30 -1.32 0.00 0.00 175.29 173.39 3fqr n PRO 89 N 0.01 2.41 -3.77 9.60 -0.02 -1.26 -4.92 135.00 137.05 3fqr n PRO 89 Ca -0.17 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 3fqr n PRO 89 Cb 0.62 -2.54 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 3fqr n PRO 89 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fqr s LYS 90 N -1.32 4.16 -0.18 -0.52 2.20 0.40 -4.90 119.74 119.58 3fqr s LYS 90 Ca 0.59 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 3fqr s LYS 90 Cb -0.54 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3fqr s LYS 90 CO 0.57 0.29 -0.09 0.42 -0.36 0.00 0.00 175.35 176.18 3fqr s ILE 91 N 0.37 3.10 -0.18 5.43 1.01 -1.26 -0.82 121.20 128.86 3fqr s ILE 91 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 3fqr s ILE 91 Cb -0.11 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.00 3fqr s ILE 91 CO -0.02 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.57 3fqr s VAL 92 N 1.03 2.68 0.31 2.92 1.01 -0.13 -4.97 120.40 123.24 3fqr s VAL 92 Ca -0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 3fqr s VAL 92 Cb -0.15 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 3fqr s VAL 92 CO -0.01 0.50 1.02 -0.54 0.00 0.00 0.00 175.10 176.06 3fqr s LYS 93 N 1.13 4.57 0.11 2.72 1.02 -1.26 -0.85 119.74 127.19 3fqr s LYS 93 Ca 0.01 1.56 -0.31 0.00 0.02 0.00 0.00 55.97 57.25 3fqr s LYS 93 Cb -0.14 -2.98 -0.07 0.00 -0.52 0.00 0.00 37.83 34.12 3fqr s LYS 93 CO -0.05 0.22 1.28 -0.46 -0.92 0.00 0.00 175.35 175.42 3fqr s TRP 94 N -1.38 3.34 -0.15 3.18 -0.00 0.14 -4.89 118.94 119.18 3fqr s TRP 94 Ca 0.48 1.18 -0.00 0.00 -0.00 0.00 0.00 56.10 57.75 3fqr s TRP 94 Cb -0.25 -3.54 0.03 0.00 -0.00 0.00 0.00 33.47 29.71 3fqr s TRP 94 CO 0.32 -1.76 -0.09 0.34 -0.00 0.00 0.00 176.95 175.76 3fqr s ASP 95 N 0.87 2.66 0.29 5.86 -1.08 -1.26 -4.75 116.67 119.26 3fqr s ASP 95 Ca 0.60 -0.53 0.19 0.00 -0.52 0.00 0.00 52.55 52.29 3fqr s ASP 95 Cb -0.33 -1.01 1.02 0.00 -1.46 0.00 0.00 42.92 41.13 3fqr s ASP 95 CO 0.32 -0.12 1.56 -2.11 0.52 0.00 0.00 175.17 175.34 3fqr n ARG 96 N 4.84 0.12 -0.01 4.34 1.85 -1.26 -1.15 116.66 125.39 3fqr n ARG 96 Ca -0.14 0.62 0.14 0.00 -1.00 0.00 0.00 57.85 57.47 3fqr n ARG 96 Cb 0.49 -1.92 0.53 0.00 -1.05 0.00 0.00 32.46 30.51 3fqr n ARG 96 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3fqr n ASP 97 N -2.16 1.42 0.00 2.89 8.00 -1.26 -4.74 116.55 120.70 3fqr n ASP 97 Ca -0.01 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 53.99 3fqr n ASP 97 Cb 0.05 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3fqr n ASP 97 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04