#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yn6 s ILE 1 N 0.00 4.05 -0.03 2.02 -1.09 -1.26 -4.95 121.20 119.94 1yn6 s ILE 1 Ca 0.00 -1.59 0.01 0.00 -2.23 0.00 0.00 60.65 56.83 1yn6 s ILE 1 Cb 0.00 -5.15 -0.03 0.00 -1.58 0.00 0.00 42.46 35.70 1yn6 s ILE 1 CO 0.00 -1.98 0.00 -1.10 -1.23 0.00 0.00 174.94 170.63 1yn6 s GLN 2 N 4.48 2.85 -0.09 2.79 -0.21 -1.26 -4.38 119.66 123.82 1yn6 s GLN 2 Ca 0.52 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.35 1yn6 s GLN 2 Cb 0.03 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.36 1yn6 s GLN 2 CO 0.03 0.65 -0.08 0.15 -2.12 0.00 0.00 175.29 173.93 1yn6 s LYS 3 N -1.35 1.42 0.18 2.91 1.02 -0.03 -4.94 119.74 118.95 1yn6 s LYS 3 Ca 0.18 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.63 1yn6 s LYS 3 Cb -0.11 -1.43 -0.08 0.00 -0.52 0.00 0.00 37.83 35.69 1yn6 s LYS 3 CO 0.08 -0.20 1.24 0.99 -0.92 0.00 0.00 175.35 176.54 1yn6 s THR 4 N 1.45 3.46 0.44 2.17 2.01 -1.26 -2.17 115.64 121.75 1yn6 s THR 4 Ca -0.00 1.21 -0.23 0.00 0.31 0.00 0.00 61.69 62.98 1yn6 s THR 4 Cb -0.13 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 1yn6 s THR 4 CO -0.05 0.18 1.11 -2.16 -0.69 0.00 0.00 174.62 173.02 1yn6 s PRO 5 N -0.13 3.91 -0.02 4.92 0.04 -1.26 -4.44 135.00 138.02 1yn6 s PRO 5 Ca 0.54 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1yn6 s PRO 5 Cb -0.34 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1yn6 s PRO 5 CO 0.37 -0.39 0.26 -0.65 0.04 0.00 0.00 177.00 176.63 1yn6 s GLN 6 N -2.66 3.59 -0.06 4.56 -0.21 0.35 -4.92 119.66 120.32 1yn6 s GLN 6 Ca 0.62 -0.03 0.02 0.00 0.02 0.00 0.00 55.36 55.98 1yn6 s GLN 6 Cb -0.25 -3.11 0.02 0.00 1.00 0.00 0.00 33.01 30.66 1yn6 s GLN 6 CO 0.31 0.68 -0.09 0.42 -2.12 0.00 0.00 175.29 174.49 1yn6 s ILE 7 N -1.22 0.90 -0.06 1.08 1.01 -1.26 -1.19 121.20 120.45 1yn6 s ILE 7 Ca 0.25 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.59 1yn6 s ILE 7 Cb -0.13 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1yn6 s ILE 7 CO 0.13 0.30 -0.19 -1.10 0.00 0.00 0.00 174.94 174.09 1yn6 s GLN 8 N 0.73 2.17 -0.17 2.79 -0.21 -0.69 -5.00 119.66 119.29 1yn6 s GLN 8 Ca -0.13 -0.66 0.01 0.00 0.02 0.00 0.00 55.36 54.59 1yn6 s GLN 8 Cb -0.15 -1.78 0.02 0.00 1.00 0.00 0.00 33.01 32.10 1yn6 s GLN 8 CO 0.02 0.19 -0.19 0.08 -2.12 0.00 0.00 175.29 173.27 1yn6 s VAL 9 N 0.24 1.97 0.20 1.09 1.01 -1.26 -0.51 120.40 123.14 1yn6 s VAL 9 Ca -0.10 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 1yn6 s VAL 9 Cb -0.14 -1.78 0.04 0.00 0.00 0.00 0.00 36.38 34.50 1yn6 s VAL 9 CO 0.04 0.53 0.61 -0.72 0.00 0.00 0.00 175.10 175.56 1yn6 s TYR 10 N 1.24 -0.33 0.14 5.22 1.13 -0.31 -4.47 117.35 119.98 1yn6 s TYR 10 Ca 0.03 0.01 -0.06 0.00 -1.41 0.00 0.00 57.07 55.64 1yn6 s TYR 10 Cb -0.13 0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 41.22 1yn6 s TYR 10 CO -0.11 -0.97 0.39 -1.54 -2.51 0.00 0.00 175.55 170.81 1yn6 s SER 11 N -2.83 6.51 0.08 -0.18 1.04 -1.26 0.83 113.70 117.89 1yn6 s SER 11 Ca 0.06 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.91 1yn6 s SER 11 Cb -0.02 -2.11 -0.10 0.00 0.10 0.00 0.00 66.02 63.89 1yn6 s SER 11 CO -0.05 0.06 1.61 -0.09 0.98 0.00 0.00 173.24 175.76 1yn6 h ARG 12 N 2.92 0.24 -6.21 4.02 2.43 -1.51 -3.44 114.38 112.83 1yn6 h ARG 12 Ca -0.46 -0.05 -0.54 0.00 -0.81 0.00 0.00 59.98 58.12 1yn6 h ARG 12 Cb 1.17 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.60 1yn6 h ARG 12 CO 0.72 0.33 -0.59 -1.01 -1.51 0.00 0.00 179.97 177.91 1yn6 s HIS 13 N -5.52 2.89 0.20 2.20 3.76 -1.26 -5.07 115.29 112.49 1yn6 s HIS 13 Ca -0.14 -0.17 -0.32 0.00 -0.15 0.00 0.00 55.06 54.28 1yn6 s HIS 13 Cb 0.07 -1.30 -0.14 0.00 1.11 0.00 0.00 32.58 32.32 1yn6 s HIS 13 CO 0.70 0.57 1.35 -2.30 -0.85 0.00 0.00 174.74 174.21 1yn6 n PRO 14 N -0.96 1.70 -2.02 8.40 -0.02 -1.26 -4.87 135.00 135.97 1yn6 n PRO 14 Ca -0.07 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.59 1yn6 n PRO 14 Cb 0.58 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1yn6 n PRO 14 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yn6 s PRO 15 N -0.16 4.24 -0.20 0.52 0.02 -1.26 -5.02 135.00 133.15 1yn6 s PRO 15 Ca 0.72 2.24 -0.05 0.00 0.02 0.00 0.00 61.00 63.94 1yn6 s PRO 15 Cb -0.74 -3.34 0.07 0.00 0.02 0.00 0.00 34.50 30.50 1yn6 s PRO 15 CO 0.49 -0.60 0.09 -1.21 -0.33 0.00 0.00 177.00 175.44 1yn6 s GLU 16 N 1.67 0.13 0.10 5.54 2.02 -1.26 -5.11 118.70 121.79 1yn6 s GLU 16 Ca 0.69 -0.20 -0.36 0.00 0.02 0.00 0.00 54.97 55.13 1yn6 s GLU 16 Cb -0.40 -1.72 -0.17 0.00 0.10 0.00 0.00 34.13 31.94 1yn6 s GLU 16 CO 0.31 -0.74 1.15 0.09 0.02 0.00 0.00 175.26 176.09 1yn6 n ASN 17 N 5.26 0.90 0.00 -0.19 5.03 -1.26 -0.92 115.26 124.08 1yn6 n ASN 17 Ca -0.07 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.52 1yn6 n ASN 17 Cb 0.47 -1.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 1yn6 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yn6 n GLY 18 N 2.05 3.15 3.68 7.41 0.00 -0.28 -4.99 105.19 116.20 1yn6 n GLY 18 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1yn6 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yn6 s LYS 19 N -0.41 4.11 0.34 1.61 1.02 -0.10 -4.97 119.74 121.34 1yn6 s LYS 19 Ca 0.00 -0.17 -0.26 0.00 0.02 0.00 0.00 55.97 55.55 1yn6 s LYS 19 Cb 0.00 -3.51 -0.13 0.00 -0.52 0.00 0.00 37.83 33.67 1yn6 s LYS 19 CO 0.00 0.09 0.95 -2.30 -0.92 0.00 0.00 175.35 173.18 1yn6 n PRO 20 N 4.16 1.26 -0.94 -1.68 -0.02 -1.26 -4.31 135.00 132.21 1yn6 n PRO 20 Ca -0.14 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1yn6 n PRO 20 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1yn6 n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1yn6 n ASN 21 N 1.03 0.00 -3.86 2.55 2.85 0.11 -4.98 115.26 112.96 1yn6 n ASN 21 Ca 0.10 -0.65 -0.21 0.00 -0.11 0.00 0.00 54.58 53.70 1yn6 n ASN 21 Cb 0.35 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.20 1yn6 n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1yn6 s ILE 22 N -2.40 0.54 -0.16 -1.44 1.01 -1.26 -1.90 121.20 115.58 1yn6 s ILE 22 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 1yn6 s ILE 22 Cb 0.00 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.82 1yn6 s ILE 22 CO 0.00 0.25 0.28 -0.22 0.00 0.00 0.00 174.94 175.25 1yn6 s LEU 23 N 1.28 4.25 -0.04 2.97 2.96 0.91 -1.14 118.68 129.87 1yn6 s LEU 23 Ca -0.05 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 1yn6 s LEU 23 Cb -0.14 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1yn6 s LEU 23 CO -0.02 0.12 -0.03 0.20 -1.32 0.00 0.00 176.35 175.30 1yn6 s ASN 24 N 0.40 4.93 -0.30 3.68 0.01 0.24 -1.59 114.94 122.31 1yn6 s ASN 24 Ca 0.16 -0.00 -0.01 0.00 -0.71 0.00 0.00 52.86 52.30 1yn6 s ASN 24 Cb -0.13 -1.28 0.10 0.00 0.41 0.00 0.00 41.25 40.35 1yn6 s ASN 24 CO 0.04 0.32 0.09 0.00 -1.51 0.00 0.00 177.10 176.04 1yn6 s TYR 26 N 1.62 3.15 -0.22 0.00 5.04 0.33 -1.38 117.35 125.90 1yn6 s TYR 26 Ca 0.09 -0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.36 1yn6 s TYR 26 Cb -0.17 -2.96 -0.03 0.00 0.35 0.00 0.00 41.96 39.15 1yn6 s TYR 26 CO -0.24 -0.72 0.03 0.08 -1.34 0.00 0.00 175.55 173.36 1yn6 s VAL 27 N 2.24 4.10 0.39 3.14 1.01 -0.66 -1.71 120.40 128.91 1yn6 s VAL 27 Ca 0.14 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.91 1yn6 s VAL 27 Cb -0.17 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1yn6 s VAL 27 CO 0.14 0.39 0.19 0.42 0.00 0.00 0.00 175.10 176.24 1yn6 s THR 28 N 1.27 0.36 -1.23 3.92 -4.23 -0.33 -1.10 115.64 114.28 1yn6 s THR 28 Ca 0.04 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1yn6 s THR 28 Cb -0.15 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1yn6 s THR 28 CO 0.02 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.34 1yn6 n GLN 29 N -0.82 -2.94 -4.32 3.99 1.13 -1.02 -0.50 117.38 112.89 1yn6 n GLN 29 Ca -0.01 0.62 -0.23 0.00 -1.94 0.00 0.00 57.00 55.43 1yn6 n GLN 29 Cb 0.64 -5.30 -0.08 0.00 0.11 0.00 0.00 30.24 25.61 1yn6 n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1yn6 s PHE 30 N -2.81 2.62 -0.28 1.08 -0.12 -1.19 -4.29 117.98 112.99 1yn6 s PHE 30 Ca 0.17 -0.24 -0.24 0.00 -0.05 0.00 0.00 56.93 56.57 1yn6 s PHE 30 Cb -0.09 -1.17 0.10 0.00 -0.63 0.00 0.00 43.02 41.24 1yn6 s PHE 30 CO 0.21 0.63 0.87 -1.58 -0.05 0.00 0.00 175.22 175.30 1yn6 s HIS 31 N -2.30 -0.66 1.18 3.49 2.46 -0.92 -1.68 115.29 116.85 1yn6 s HIS 31 Ca 0.31 1.56 -0.13 0.00 0.47 0.00 0.00 55.06 57.27 1yn6 s HIS 31 Cb -0.06 0.34 0.29 0.00 -0.13 0.00 0.00 32.58 33.02 1yn6 s HIS 31 CO 0.19 -0.32 1.02 -2.14 -2.47 0.00 0.00 174.74 171.02 1yn6 s PRO 32 N 0.47 -1.05 0.47 2.88 0.02 -1.26 -0.85 135.00 135.68 1yn6 s PRO 32 Ca 0.00 0.77 0.19 0.00 0.02 0.00 0.00 61.00 61.99 1yn6 s PRO 32 Cb -0.05 -1.54 1.17 0.00 0.02 0.00 0.00 34.50 34.10 1yn6 s PRO 32 CO -0.05 -3.79 2.02 -1.00 -0.33 0.00 0.00 177.00 173.85 1yn6 h PRO 33 N -2.67 0.00 -6.53 5.54 0.13 -2.00 -3.44 132.00 123.03 1yn6 h PRO 33 Ca -0.63 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 63.96 1yn6 h PRO 33 Cb 1.34 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.52 1yn6 h PRO 33 CO 0.51 0.16 1.03 1.58 -0.23 0.00 0.00 178.00 181.05 1yn6 n HIS 34 N -4.07 2.58 -3.59 1.56 -0.00 -1.26 -4.97 115.22 105.47 1yn6 n HIS 34 Ca -0.02 -0.02 -0.15 0.00 0.46 0.00 0.00 57.72 58.00 1yn6 n HIS 34 Cb 0.24 -2.68 -0.06 0.00 -0.12 0.00 0.00 29.99 27.37 1yn6 n HIS 34 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1yn6 s ILE 35 N 2.08 0.00 -0.11 3.57 2.07 -1.26 -4.62 121.20 122.92 1yn6 s ILE 35 Ca 0.80 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 60.07 1yn6 s ILE 35 Cb -0.54 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.05 1yn6 s ILE 35 CO 0.37 0.00 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.58 1yn6 s GLU 36 N -0.32 3.13 -0.03 3.50 2.02 -0.78 -5.02 118.70 121.21 1yn6 s GLU 36 Ca -0.04 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.17 1yn6 s GLU 36 Cb -0.03 -2.41 -0.00 0.00 0.10 0.00 0.00 34.13 31.79 1yn6 s GLU 36 CO 0.03 0.16 -0.16 0.42 0.02 0.00 0.00 175.26 175.74 1yn6 s ILE 37 N 0.42 1.31 -0.01 -1.63 1.01 -1.26 -0.86 121.20 120.17 1yn6 s ILE 37 Ca -0.15 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.85 1yn6 s ILE 37 Cb -0.17 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.18 1yn6 s ILE 37 CO 0.07 0.38 -0.05 -1.10 0.00 0.00 0.00 174.94 174.24 1yn6 s GLN 38 N -0.05 0.50 -0.11 2.79 -0.21 -0.50 -5.01 119.66 117.09 1yn6 s GLN 38 Ca -0.01 -0.15 -0.04 0.00 0.02 0.00 0.00 55.36 55.19 1yn6 s GLN 38 Cb -0.10 -0.51 -0.04 0.00 1.00 0.00 0.00 33.01 33.36 1yn6 s GLN 38 CO 0.01 0.05 0.04 -1.64 -2.12 0.00 0.00 175.29 171.63 1yn6 s MET 39 N 0.20 3.21 0.10 2.91 -1.94 -1.26 -0.52 119.30 122.00 1yn6 s MET 39 Ca -0.02 -0.34 0.09 0.00 -1.71 0.00 0.00 55.69 53.71 1yn6 s MET 39 Cb -0.06 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.82 1yn6 s MET 39 CO -0.00 0.66 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.92 1yn6 s LEU 40 N -0.74 2.28 -0.21 -0.03 1.43 0.15 -0.83 118.68 120.72 1yn6 s LEU 40 Ca 0.12 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1yn6 s LEU 40 Cb -0.12 -1.08 0.06 0.00 0.03 0.00 0.00 46.19 45.08 1yn6 s LEU 40 CO 0.02 0.14 -0.05 -0.75 0.23 0.00 0.00 176.35 175.95 1yn6 s LYS 41 N -1.81 1.53 -1.42 1.70 2.20 -0.04 -1.06 119.74 120.84 1yn6 s LYS 41 Ca 0.10 -0.83 -0.07 0.00 -0.36 0.00 0.00 55.97 54.81 1yn6 s LYS 41 Cb -0.10 -2.42 0.04 0.00 -1.51 0.00 0.00 37.83 33.84 1yn6 s LYS 41 CO 0.04 -0.56 0.85 0.09 -0.36 0.00 0.00 175.35 175.42 1yn6 n ASN 42 N 4.75 -3.09 0.00 1.43 3.02 0.58 -1.54 115.26 120.41 1yn6 n ASN 42 Ca -0.12 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1yn6 n ASN 42 Cb 0.45 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1yn6 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yn6 n GLY 43 N -1.65 0.62 3.56 7.41 0.00 -1.26 -5.00 105.19 108.87 1yn6 n GLY 43 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1yn6 n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yn6 s LYS 44 N -0.37 3.18 0.19 1.61 2.20 -0.59 -5.04 119.74 120.93 1yn6 s LYS 44 Ca 0.00 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 54.77 1yn6 s LYS 44 Cb 0.00 -2.76 -0.12 0.00 -1.51 0.00 0.00 37.83 33.44 1yn6 s LYS 44 CO 0.00 0.48 1.71 1.63 -0.36 0.00 0.00 175.35 178.82 1yn6 n LYS 45 N 2.78 2.69 -2.76 4.03 5.02 -1.26 -0.86 118.16 127.79 1yn6 n LYS 45 Ca -0.18 0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 1yn6 n LYS 45 Cb 0.53 -2.81 -0.03 0.00 -0.02 0.00 0.00 35.03 32.70 1yn6 n LYS 45 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1yn6 s ILE 46 N 1.27 4.84 0.67 -0.18 1.01 -0.01 -4.86 121.20 123.93 1yn6 s ILE 46 Ca 0.76 1.91 -0.15 0.00 0.00 0.00 0.00 60.65 63.17 1yn6 s ILE 46 Cb -0.53 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.69 1yn6 s ILE 46 CO 0.33 0.05 1.12 -2.16 0.00 0.00 0.00 174.94 174.28 1yn6 s PRO 47 N 1.84 2.73 -1.12 2.79 0.04 -1.26 -4.08 135.00 135.95 1yn6 s PRO 47 Ca 0.46 1.44 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1yn6 s PRO 47 Cb -0.18 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1yn6 s PRO 47 CO 0.18 -1.31 0.82 1.63 0.04 0.00 0.00 177.00 178.36 1yn6 n LYS 48 N -2.43 -1.41 -3.38 4.56 5.02 -1.26 -4.96 118.16 114.29 1yn6 n LYS 48 Ca 0.11 0.54 -0.38 0.00 -2.02 0.00 0.00 58.31 56.56 1yn6 n LYS 48 Cb 0.52 -4.46 -0.06 0.00 -0.02 0.00 0.00 35.03 31.00 1yn6 n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yn6 s VAL 49 N -3.44 5.11 -0.16 -0.18 1.01 -1.26 -4.75 120.40 116.73 1yn6 s VAL 49 Ca 0.47 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.29 1yn6 s VAL 49 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1yn6 s VAL 49 CO 0.84 0.42 0.09 -1.61 0.00 0.00 0.00 175.10 174.84 1yn6 s GLU 50 N -0.03 3.81 -0.12 2.72 2.02 0.71 -4.94 118.70 122.86 1yn6 s GLU 50 Ca 0.25 -0.26 -0.04 0.00 0.02 0.00 0.00 54.97 54.93 1yn6 s GLU 50 Cb -0.16 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 1yn6 s GLU 50 CO 0.11 0.45 0.02 -1.64 0.02 0.00 0.00 175.26 174.22 1yn6 s MET 51 N -0.10 3.38 0.74 1.61 -1.94 -1.26 -0.57 119.30 121.16 1yn6 s MET 51 Ca 0.08 -0.38 -0.09 0.00 -1.71 0.00 0.00 55.69 53.59 1yn6 s MET 51 Cb -0.12 -2.95 0.07 0.00 2.01 0.00 0.00 34.83 33.84 1yn6 s MET 51 CO 0.01 0.54 1.08 -1.54 -0.01 0.00 0.00 175.02 175.09 1yn6 s SER 52 N -0.41 4.72 0.53 3.03 1.04 -0.07 -5.01 113.70 117.53 1yn6 s SER 52 Ca 0.08 0.60 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1yn6 s SER 52 Cb -0.12 -1.20 -0.07 0.00 0.10 0.00 0.00 66.02 64.74 1yn6 s SER 52 CO 0.02 -1.70 1.02 -1.81 0.98 0.00 0.00 173.24 171.75 1yn6 s ASP 53 N -4.53 6.25 0.54 7.02 1.01 -1.26 -4.68 116.67 121.01 1yn6 s ASP 53 Ca 0.61 1.78 -0.12 0.00 0.71 0.00 0.00 52.55 55.52 1yn6 s ASP 53 Cb -0.11 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 1yn6 s ASP 53 CO 0.46 -0.84 0.95 -0.32 0.21 0.00 0.00 175.17 175.64 1yn6 s MET 54 N -3.75 3.74 0.35 8.23 1.75 -1.26 -4.72 119.30 123.64 1yn6 s MET 54 Ca 0.63 0.73 -0.05 0.00 -1.25 0.00 0.00 55.69 55.75 1yn6 s MET 54 Cb -0.14 -2.17 0.01 0.00 2.84 0.00 0.00 34.83 35.37 1yn6 s MET 54 CO 0.28 -0.35 0.53 -1.12 -0.65 0.00 0.00 175.02 173.71 1yn6 s SER 55 N -3.63 0.70 0.03 1.11 0.01 -0.83 -5.01 113.70 106.07 1yn6 s SER 55 Ca 0.55 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 56.42 1yn6 s SER 55 Cb -0.10 0.69 -0.02 0.00 0.21 0.00 0.00 66.02 66.80 1yn6 s SER 55 CO 0.42 -1.36 -0.04 0.72 0.41 0.00 0.00 173.24 173.38 1yn6 s PHE 56 N -2.97 0.40 0.62 2.43 -0.12 -1.26 -0.58 117.98 116.50 1yn6 s PHE 56 Ca 0.27 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.61 1yn6 s PHE 56 Cb -0.01 -0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.19 1yn6 s PHE 56 CO 0.18 -0.18 0.85 -1.54 -0.05 0.00 0.00 175.22 174.49 1yn6 s SER 57 N -1.64 4.86 0.61 1.98 1.04 0.35 -4.93 113.70 115.98 1yn6 s SER 57 Ca -0.12 -0.42 0.27 0.00 0.48 0.00 0.00 55.95 56.16 1yn6 s SER 57 Cb -0.08 -0.18 1.35 0.00 0.10 0.00 0.00 66.02 67.21 1yn6 s SER 57 CO -0.01 -1.47 1.77 0.11 0.98 0.00 0.00 173.24 174.61 1yn6 h LYS 58 N -0.11 0.00 -0.61 4.02 6.56 -2.02 0.31 116.57 124.71 1yn6 h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 1yn6 h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1yn6 h LYS 58 CO 0.43 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.42 1yn6 n ASP 59 N -3.37 3.61 0.00 0.86 5.75 -1.26 -4.93 116.55 117.21 1yn6 n ASP 59 Ca 0.07 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.57 1yn6 n ASP 59 Cb 0.73 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1yn6 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1yn6 n TRP 60 N 0.86 0.00 -2.05 2.11 7.02 0.11 -5.02 117.44 120.48 1yn6 n TRP 60 Ca 0.19 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.29 1yn6 n TRP 60 Cb 0.67 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.56 1yn6 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1yn6 s SER 61 N -1.31 6.00 0.44 -0.99 1.04 -1.26 -4.59 113.70 113.03 1yn6 s SER 61 Ca 0.00 2.58 -0.04 0.00 0.48 0.00 0.00 55.95 58.97 1yn6 s SER 61 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1yn6 s SER 61 CO 0.00 -1.05 0.72 -0.36 0.98 0.00 0.00 173.24 173.53 1yn6 s PHE 62 N -1.36 3.54 0.08 5.02 0.40 -0.68 -0.50 117.98 124.49 1yn6 s PHE 62 Ca 0.63 0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 57.53 1yn6 s PHE 62 Cb -0.36 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 40.99 1yn6 s PHE 62 CO 0.44 -0.16 0.29 1.52 0.70 0.00 0.00 175.22 178.01 1yn6 s TYR 63 N -2.61 -0.04 0.02 0.36 1.13 0.25 -2.44 117.35 114.01 1yn6 s TYR 63 Ca 0.46 -0.24 -0.28 0.00 -1.41 0.00 0.00 57.07 55.59 1yn6 s TYR 63 Cb -0.10 0.09 0.07 0.00 -1.10 0.00 0.00 41.96 40.92 1yn6 s TYR 63 CO 0.42 -0.57 0.66 -1.50 -2.51 0.00 0.00 175.55 172.05 1yn6 s ILE 64 N -3.34 0.00 -0.16 -3.49 2.07 -0.26 -1.96 121.20 114.06 1yn6 s ILE 64 Ca 0.01 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 1yn6 s ILE 64 Cb 0.02 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.63 1yn6 s ILE 64 CO -0.08 0.00 -0.17 -0.22 -1.91 0.00 0.00 174.94 172.55 1yn6 s LEU 65 N -1.71 1.92 -0.07 8.50 2.96 -1.26 -1.65 118.68 127.37 1yn6 s LEU 65 Ca -0.07 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1yn6 s LEU 65 Cb -0.00 -1.33 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1yn6 s LEU 65 CO 0.02 -0.02 0.05 0.00 -1.32 0.00 0.00 176.35 175.08 1yn6 s ALA 66 N 1.34 3.47 0.02 5.97 0.00 -0.48 -0.90 121.76 131.19 1yn6 s ALA 66 Ca 0.04 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.04 1yn6 s ALA 66 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1yn6 s ALA 66 CO -0.11 0.62 0.36 -3.38 0.00 0.00 0.00 175.76 173.26 1yn6 s HIS 67 N -0.99 -0.21 0.08 0.00 -3.43 0.27 -0.48 115.29 110.52 1yn6 s HIS 67 Ca 0.16 0.21 -0.20 0.00 -0.80 0.00 0.00 55.06 54.43 1yn6 s HIS 67 Cb -0.12 0.16 0.05 0.00 -1.43 0.00 0.00 32.58 31.24 1yn6 s HIS 67 CO 0.06 -0.50 0.48 -0.08 -2.00 0.00 0.00 174.74 172.70 1yn6 s THR 68 N -2.08 0.04 0.28 -5.38 -1.32 -0.62 -0.21 115.64 106.35 1yn6 s THR 68 Ca -0.08 -0.34 -0.29 0.00 -1.21 0.00 0.00 61.69 59.77 1yn6 s THR 68 Cb -0.02 -1.03 -0.09 0.00 -1.51 0.00 0.00 72.50 69.85 1yn6 s THR 68 CO 0.00 -0.19 1.08 -1.61 -2.21 0.00 0.00 174.62 171.70 1yn6 s GLU 69 N -3.00 4.63 0.11 7.08 2.02 -1.26 -0.06 118.70 128.22 1yn6 s GLU 69 Ca -0.02 1.76 -0.21 0.00 0.02 0.00 0.00 54.97 56.52 1yn6 s GLU 69 Cb -0.00 -3.16 0.05 0.00 0.10 0.00 0.00 34.13 31.13 1yn6 s GLU 69 CO -0.06 0.21 0.52 -0.59 0.02 0.00 0.00 175.26 175.36 1yn6 s PHE 70 N -1.19 -0.41 -0.30 1.61 -0.71 -0.80 -4.83 117.98 111.35 1yn6 s PHE 70 Ca 0.45 0.26 0.02 0.00 -1.04 0.00 0.00 56.93 56.62 1yn6 s PHE 70 Cb -0.31 0.41 0.09 0.00 -1.21 0.00 0.00 43.02 41.99 1yn6 s PHE 70 CO 0.40 -0.74 0.02 0.99 -1.34 0.00 0.00 175.22 174.54 1yn6 s THR 71 N -3.34 1.73 0.36 -4.49 2.01 -1.26 0.05 115.64 110.70 1yn6 s THR 71 Ca -0.00 -1.76 -0.28 0.00 0.31 0.00 0.00 61.69 59.95 1yn6 s THR 71 Cb 0.00 -2.17 -0.11 0.00 0.01 0.00 0.00 72.50 70.23 1yn6 s THR 71 CO -0.09 -0.44 1.50 -2.16 -0.69 0.00 0.00 174.62 172.74 1yn6 s PRO 72 N 1.22 4.12 0.18 4.92 0.04 -1.26 -4.78 135.00 139.44 1yn6 s PRO 72 Ca 0.05 2.57 0.02 0.00 0.04 0.00 0.00 61.00 63.67 1yn6 s PRO 72 Cb -0.19 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1yn6 s PRO 72 CO -0.11 -0.54 0.06 0.25 0.04 0.00 0.00 177.00 176.69 1yn6 n THR 73 N 0.69 0.00 -0.04 1.26 -2.24 -1.26 -1.13 114.28 111.56 1yn6 n THR 73 Ca 0.02 -1.02 -0.15 0.00 -2.27 0.00 0.00 64.05 60.63 1yn6 n THR 73 Cb 0.39 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.89 1yn6 n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yn6 h GLU 74 N 0.00 0.42 0.00 -0.78 4.81 -1.97 -3.39 114.58 113.67 1yn6 h GLU 74 Ca -0.14 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1yn6 h GLU 74 Cb 0.52 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1yn6 h GLU 74 CO 0.22 0.92 -1.68 0.25 -0.73 0.00 0.00 179.01 178.00 1yn6 n THR 75 N -4.39 0.08 -2.44 0.32 -2.24 -1.26 -5.01 114.28 99.34 1yn6 n THR 75 Ca -0.07 -0.35 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1yn6 n THR 75 Cb 0.50 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1yn6 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yn6 s ASP 76 N -3.73 6.79 0.08 3.42 1.01 -1.26 -5.04 116.67 117.94 1yn6 s ASP 76 Ca -0.05 2.20 0.05 0.00 0.71 0.00 0.00 52.55 55.45 1yn6 s ASP 76 Cb 0.09 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1yn6 s ASP 76 CO 0.59 -0.47 -0.04 0.42 0.21 0.00 0.00 175.17 175.87 1yn6 s THR 77 N -1.46 3.75 0.01 -1.27 -4.23 -1.26 -4.67 115.64 106.50 1yn6 s THR 77 Ca 0.54 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 1yn6 s THR 77 Cb -0.27 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1yn6 s THR 77 CO 0.34 0.17 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.15 1yn6 s TYR 78 N -1.22 1.20 0.19 3.99 1.51 -1.26 -0.31 117.35 121.45 1yn6 s TYR 78 Ca 0.23 -0.27 -0.13 0.00 -1.01 0.00 0.00 57.07 55.89 1yn6 s TYR 78 Cb -0.11 -0.75 0.01 0.00 -0.11 0.00 0.00 41.96 40.99 1yn6 s TYR 78 CO 0.15 -0.00 0.43 0.00 -1.11 0.00 0.00 175.55 175.01 1yn6 s ALA 79 N -0.49 -0.45 -0.11 3.71 0.00 -0.22 0.38 121.76 124.58 1yn6 s ALA 79 Ca 0.04 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1yn6 s ALA 79 Cb -0.06 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.97 1yn6 s ALA 79 CO 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 175.76 174.82 1yn6 s ARG 81 N 0.79 3.46 -0.13 0.00 3.52 0.32 -0.58 118.95 126.33 1yn6 s ARG 81 Ca -0.10 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1yn6 s ARG 81 Cb -0.16 -3.00 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 1yn6 s ARG 81 CO 0.01 -0.09 -0.15 0.08 -0.81 0.00 0.00 175.30 174.34 1yn6 s VAL 82 N 1.22 2.84 -0.23 7.11 1.01 0.11 -1.40 120.40 131.05 1yn6 s VAL 82 Ca 0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1yn6 s VAL 82 Cb -0.14 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 1yn6 s VAL 82 CO -0.01 0.53 -0.04 -0.75 0.00 0.00 0.00 175.10 174.83 1yn6 s LYS 83 N 0.37 3.27 -0.02 2.72 2.20 -0.04 -0.22 119.74 128.02 1yn6 s LYS 83 Ca -0.12 -0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 54.74 1yn6 s LYS 83 Cb -0.16 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1yn6 s LYS 83 CO 0.06 -0.24 0.11 -1.58 -0.36 0.00 0.00 175.35 173.34 1yn6 s HIS 84 N 1.45 0.00 0.59 4.03 2.46 -1.26 -1.86 115.29 120.70 1yn6 s HIS 84 Ca 0.05 0.00 0.29 0.00 0.47 0.00 0.00 55.06 55.87 1yn6 s HIS 84 Cb -0.15 -0.03 1.55 0.00 -0.13 0.00 0.00 32.58 33.83 1yn6 s HIS 84 CO -0.04 -0.18 1.97 0.22 -2.47 0.00 0.00 174.74 174.25 1yn6 h ASP 85 N 5.02 0.00 0.81 9.88 3.58 -1.94 0.58 116.42 134.36 1yn6 h ASP 85 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1yn6 h ASP 85 Cb 1.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1yn6 h ASP 85 CO 0.42 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 175.24 1yn6 n SER 86 N -3.69 0.40 -4.30 2.28 3.41 -1.26 -4.69 113.62 105.77 1yn6 n SER 86 Ca 0.05 0.58 -0.32 0.00 -0.26 0.00 0.00 58.87 58.92 1yn6 n SER 86 Cb 0.52 -0.67 -0.16 0.00 -0.26 0.00 0.00 64.21 63.64 1yn6 n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yn6 s MET 87 N -3.14 2.51 0.55 4.33 -1.94 0.19 -4.87 119.30 116.94 1yn6 s MET 87 Ca 0.07 -0.88 0.34 0.00 -1.71 0.00 0.00 55.69 53.51 1yn6 s MET 87 Cb 0.11 -2.18 1.45 0.00 2.01 0.00 0.00 34.83 36.22 1yn6 s MET 87 CO 0.40 0.43 2.02 0.00 -0.01 0.00 0.00 175.02 177.86 1yn6 h ALA 88 N 5.93 1.02 -2.79 3.03 0.00 -1.83 -3.43 119.26 121.18 1yn6 h ALA 88 Ca -0.35 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1yn6 h ALA 88 Cb 1.17 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 1yn6 h ALA 88 CO 0.48 0.04 -0.49 -1.83 0.00 0.00 0.00 179.25 177.44 1yn6 s GLU 89 N -3.75 0.47 0.30 0.00 1.03 -1.26 -5.12 118.70 110.36 1yn6 s GLU 89 Ca 0.00 -0.36 -0.29 0.00 0.03 0.00 0.00 54.97 54.35 1yn6 s GLU 89 Cb 0.10 0.19 -0.12 0.00 -0.80 0.00 0.00 34.13 33.50 1yn6 s GLU 89 CO 0.54 -0.11 1.39 -2.30 -1.33 0.00 0.00 175.26 173.46 1yn6 n PRO 90 N 1.55 2.22 -3.96 -4.83 -0.02 -1.26 -4.86 135.00 123.84 1yn6 n PRO 90 Ca -0.22 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 1yn6 n PRO 90 Cb 0.56 -2.44 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 1yn6 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1yn6 s LYS 91 N -1.13 3.83 -0.23 -0.52 2.20 0.70 -4.89 119.74 119.70 1yn6 s LYS 91 Ca 0.61 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 1yn6 s LYS 91 Cb -0.58 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1yn6 s LYS 91 CO 0.56 0.10 0.01 0.99 -0.36 0.00 0.00 175.35 176.64 1yn6 s THR 92 N 0.83 3.83 -0.15 3.43 2.01 -1.26 0.07 115.64 124.39 1yn6 s THR 92 Ca 0.03 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1yn6 s THR 92 Cb -0.14 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 1yn6 s THR 92 CO 0.02 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.53 1yn6 s VAL 93 N 1.45 2.94 0.31 3.82 1.01 0.25 -4.94 120.40 125.24 1yn6 s VAL 93 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1yn6 s VAL 93 Cb -0.15 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 1yn6 s VAL 93 CO 0.00 0.51 0.70 -0.31 0.00 0.00 0.00 175.10 175.99 1yn6 s TYR 94 N 0.72 3.40 0.04 5.22 1.51 -1.26 -0.33 117.35 126.65 1yn6 s TYR 94 Ca -0.06 1.10 -0.30 0.00 -1.01 0.00 0.00 57.07 56.80 1yn6 s TYR 94 Cb -0.15 -2.45 -0.05 0.00 -0.11 0.00 0.00 41.96 39.20 1yn6 s TYR 94 CO 0.02 0.10 1.17 -0.46 -1.11 0.00 0.00 175.55 175.27 1yn6 s TRP 95 N -2.01 3.43 -0.26 2.71 -0.00 0.16 -4.87 118.94 118.10 1yn6 s TRP 95 Ca 0.52 1.34 0.03 0.00 -0.00 0.00 0.00 56.10 57.98 1yn6 s TRP 95 Cb -0.10 -3.38 0.06 0.00 -0.00 0.00 0.00 33.47 30.05 1yn6 s TRP 95 CO 0.21 -1.12 -0.08 0.34 -0.00 0.00 0.00 176.95 176.30 1yn6 s ASP 96 N 1.12 4.35 0.26 5.86 -1.08 -1.26 -4.77 116.67 121.14 1yn6 s ASP 96 Ca 0.57 -1.43 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 1yn6 s ASP 96 Cb -0.28 -1.47 0.86 0.00 -1.46 0.00 0.00 42.92 40.58 1yn6 s ASP 96 CO 0.28 -0.22 1.46 -2.11 0.52 0.00 0.00 175.17 175.10 1yn6 n ARG 97 N 4.47 0.10 -0.22 4.34 1.85 -1.26 -1.17 116.66 124.78 1yn6 n ARG 97 Ca -0.12 0.59 0.09 0.00 -1.00 0.00 0.00 57.85 57.41 1yn6 n ARG 97 Cb 0.42 -1.90 0.25 0.00 -1.05 0.00 0.00 32.46 30.18 1yn6 n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1yn6 n ASP 98 N -2.06 2.60 0.00 2.89 8.00 -1.26 -4.90 116.55 121.82 1yn6 n ASP 98 Ca -0.01 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1yn6 n ASP 98 Cb 0.08 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 1yn6 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04