#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrf s GLN 2 N 0.00 2.57 0.30 -1.24 -2.07 -1.26 -3.72 119.66 114.23 1wrf s GLN 2 Ca 0.00 -1.01 0.07 0.00 -1.82 0.00 0.00 55.36 52.60 1wrf s GLN 2 Cb 0.00 -2.46 -0.03 0.00 -1.09 0.00 0.00 33.01 29.43 1wrf s GLN 2 CO 0.00 0.47 0.27 0.14 -1.32 0.00 0.00 175.29 174.85 1wrf s VAL 3 N -1.70 3.96 -0.18 3.63 -7.23 -1.21 -3.12 120.40 114.55 1wrf s VAL 3 Ca 0.28 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.93 1wrf s VAL 3 Cb -0.10 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.51 1wrf s VAL 3 CO 0.20 -0.25 0.44 -1.81 -0.31 0.00 0.00 175.10 173.37 1wrf s ASP 4 N -3.94 6.52 0.11 4.85 1.01 -1.26 -4.78 116.67 119.16 1wrf s ASP 4 Ca 0.38 0.61 -0.05 0.00 0.71 0.00 0.00 52.55 54.20 1wrf s ASP 4 Cb -0.07 -2.25 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 1wrf s ASP 4 CO 0.26 -0.07 0.13 0.68 0.21 0.00 0.00 175.17 176.37 1wrf s VAL 5 N 1.20 0.13 -0.37 -1.27 -7.23 -1.26 -4.38 120.40 107.22 1wrf s VAL 5 Ca 0.21 -1.57 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1wrf s VAL 5 Cb -0.15 -1.68 0.08 0.00 0.56 0.00 0.00 36.38 35.19 1wrf s VAL 5 CO 0.09 -0.60 0.13 -0.54 -0.31 0.00 0.00 175.10 173.87 1wrf s LYS 6 N -3.95 2.23 -0.41 4.82 1.02 -0.03 -4.85 119.74 118.58 1wrf s LYS 6 Ca 0.13 -1.56 -0.41 0.00 0.02 0.00 0.00 55.97 54.16 1wrf s LYS 6 Cb 0.06 -3.46 -0.16 0.00 -0.52 0.00 0.00 37.83 33.75 1wrf s LYS 6 CO -0.05 -0.88 2.02 -0.25 -0.92 0.00 0.00 175.35 175.27 1wrf n ASP 7 N 4.65 1.57 -0.05 2.83 9.92 -1.26 -2.28 116.55 131.93 1wrf n ASP 7 Ca -0.07 0.72 0.14 0.00 -0.53 0.00 0.00 54.79 55.05 1wrf n ASP 7 Cb 0.42 -1.06 0.56 0.00 -0.64 0.00 0.00 41.12 40.40 1wrf n ASP 7 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wrf n ALA 9 N -1.26 0.00 0.00 0.00 0.00 -1.24 -4.90 120.51 113.12 1wrf n ALA 9 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1wrf n ALA 9 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 1wrf n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wrf n ASN 10 N -0.99 0.00 -1.23 0.00 4.13 -1.26 -4.92 115.26 110.99 1wrf n ASN 10 Ca 0.00 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.11 1wrf n ASN 10 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1wrf n ASN 10 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1wrf n ASN 11 N 0.00 -5.04 0.10 6.41 2.85 -1.26 -4.86 115.26 113.46 1wrf n ASN 11 Ca 0.00 0.37 -0.04 0.00 -0.11 0.00 0.00 54.58 54.80 1wrf n ASN 11 Cb 0.00 -4.18 -0.02 0.00 1.24 0.00 0.00 39.78 36.82 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1wrf h GLU 12 N 0.00 -0.26 -6.29 1.20 4.57 -1.91 -3.42 114.58 108.48 1wrf h GLU 12 Ca -0.31 0.02 -0.60 0.00 -1.18 0.00 0.00 59.36 57.29 1wrf h GLU 12 Cb 1.16 0.06 0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1wrf h GLU 12 CO 0.45 -0.17 1.14 -0.89 -1.18 0.00 0.00 179.01 178.36 1wrf n ILE 13 N -3.06 0.63 0.26 2.32 5.41 -1.26 -3.85 119.36 119.82 1wrf n ILE 13 Ca -0.03 -0.11 0.09 0.00 1.00 0.00 0.00 62.75 63.69 1wrf n ILE 13 Cb 0.10 -1.98 0.65 0.00 -0.71 0.00 0.00 39.64 37.71 1wrf n ILE 13 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1wrf h LYS 14 N 9.57 0.00 0.00 0.38 1.79 -1.17 -3.45 116.57 123.70 1wrf h LYS 14 Ca -0.49 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 1wrf h LYS 14 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1wrf h LYS 14 CO 0.95 0.05 0.00 0.36 -1.08 0.00 0.00 179.45 179.72 1wrf n LYS 15 N -4.35 0.00 -4.35 3.15 2.85 -1.26 -5.01 118.16 109.19 1wrf n LYS 15 Ca -0.03 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.89 1wrf n LYS 15 Cb 0.13 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.39 1wrf n LYS 15 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wrf s VAL 16 N -0.12 4.04 0.16 0.58 0.11 -1.26 -3.58 120.40 120.34 1wrf s VAL 16 Ca 0.00 -0.31 0.10 0.00 -2.93 0.00 0.00 61.98 58.84 1wrf s VAL 16 Cb 0.00 -2.77 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 1wrf s VAL 16 CO 0.00 0.50 -0.22 -0.04 -3.33 0.00 0.00 175.10 172.01 1wrf s MET 17 N 0.26 1.35 -0.08 1.54 -1.94 -0.50 -3.31 119.30 116.61 1wrf s MET 17 Ca -0.02 -1.40 0.02 0.00 -1.71 0.00 0.00 55.69 52.59 1wrf s MET 17 Cb -0.14 -1.59 0.01 0.00 2.01 0.00 0.00 34.83 35.12 1wrf s MET 17 CO 0.02 0.35 -0.14 0.08 -0.01 0.00 0.00 175.02 175.32 1wrf s VAL 18 N -1.62 1.31 0.24 -6.03 1.01 -1.24 -1.45 120.40 112.61 1wrf s VAL 18 Ca 0.15 -0.57 0.33 0.00 0.00 0.00 0.00 61.98 61.90 1wrf s VAL 18 Cb -0.08 -1.20 0.33 0.00 0.00 0.00 0.00 36.38 35.43 1wrf s VAL 18 CO 0.07 0.40 2.01 -0.78 0.00 0.00 0.00 175.10 176.80 1wrf h ASP 19 N 7.11 0.00 0.00 3.32 1.82 -1.83 -3.35 116.42 123.49 1wrf h ASP 19 Ca -0.29 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.35 1wrf h ASP 19 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1wrf h ASP 19 CO 0.47 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.71 1wrf n GLY 20 N -1.19 1.05 3.09 -0.78 0.00 -1.26 -4.96 105.19 101.14 1wrf n GLY 20 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1wrf n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrf n HIS 22 N -4.10 0.00 -2.42 0.00 1.44 -1.26 -4.64 115.22 104.24 1wrf n HIS 22 Ca 0.01 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1wrf n HIS 22 Cb 0.54 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1wrf n HIS 22 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wrf n GLY 23 N -0.00 -0.22 0.46 -1.39 0.00 -1.18 -4.29 105.19 98.57 1wrf n GLY 23 Ca 0.00 -1.18 0.38 0.00 0.00 0.00 0.00 46.02 45.21 1wrf n GLY 23 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wrf h SER 24 N 0.00 0.24 -1.99 1.61 0.87 -1.90 -3.40 113.55 108.98 1wrf h SER 24 Ca 0.00 0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 60.15 1wrf h SER 24 Cb 0.00 0.15 0.22 0.00 -0.44 0.00 0.00 62.40 62.33 1wrf h SER 24 CO 0.00 -0.22 -1.66 0.47 -0.53 0.00 0.00 176.83 174.89 1wrf n ASP 25 N -4.74 -5.36 -4.75 6.23 9.92 -1.26 -4.84 116.55 111.75 1wrf n ASP 25 Ca 0.38 0.31 -0.40 0.00 -0.53 0.00 0.00 54.79 54.55 1wrf n ASP 25 Cb 1.47 -0.78 -0.05 0.00 -0.64 0.00 0.00 41.12 41.12 1wrf n ASP 25 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1wrf s PRO 26 N -1.71 4.71 -0.10 -0.24 0.04 -1.26 -4.85 135.00 131.59 1wrf s PRO 26 Ca 0.45 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1wrf s PRO 26 Cb -0.27 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1wrf s PRO 26 CO 0.78 0.29 -0.17 0.00 0.04 0.00 0.00 177.00 177.94 1wrf s ILE 28 N 0.07 4.95 -0.38 0.00 -1.09 -1.25 -1.33 121.20 122.17 1wrf s ILE 28 Ca -0.07 -0.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.34 1wrf s ILE 28 Cb -0.15 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1wrf s ILE 28 CO 0.05 -0.32 0.58 -0.63 -1.23 0.00 0.00 174.94 173.39 1wrf s ILE 29 N 1.62 4.94 -0.53 2.92 1.01 -0.68 -4.83 121.20 125.64 1wrf s ILE 29 Ca 0.04 0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.79 1wrf s ILE 29 Cb -0.20 -4.06 0.05 0.00 0.01 0.00 0.00 42.46 38.26 1wrf s ILE 29 CO 0.08 -0.35 0.80 -1.00 0.00 0.00 0.00 174.94 174.48 1wrf s HIS 30 N 2.58 2.91 0.65 3.97 3.76 -1.25 -2.03 115.29 125.87 1wrf s HIS 30 Ca 0.21 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.74 1wrf s HIS 30 Cb -0.15 -3.83 -0.10 0.00 1.11 0.00 0.00 32.58 29.61 1wrf s HIS 30 CO 0.15 -1.20 0.11 2.89 -0.85 0.00 0.00 174.74 175.85 1wrf n ARG 31 N 6.89 0.19 0.00 1.40 1.85 -1.23 -2.19 116.66 123.58 1wrf n ARG 31 Ca -0.02 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1wrf n ARG 31 Cb 0.47 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 1wrf n ARG 31 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1wrf n GLY 32 N 2.23 2.31 3.87 2.89 0.00 -1.26 -4.90 105.19 110.34 1wrf n GLY 32 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1wrf n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wrf s LYS 33 N -0.73 3.21 -0.24 1.61 -2.85 -0.93 -4.82 119.74 115.00 1wrf s LYS 33 Ca 0.00 -0.63 -0.28 0.00 -1.00 0.00 0.00 55.97 54.06 1wrf s LYS 33 Cb 0.00 -2.87 0.01 0.00 -2.06 0.00 0.00 37.83 32.90 1wrf s LYS 33 CO 0.00 0.55 0.99 -1.25 0.10 0.00 0.00 175.35 175.73 1wrf s PRO 34 N -2.83 4.23 -0.32 1.78 0.04 -1.26 -3.30 135.00 133.34 1wrf s PRO 34 Ca 0.33 1.24 -0.14 0.00 0.04 0.00 0.00 61.00 62.47 1wrf s PRO 34 Cb -0.12 -3.65 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1wrf s PRO 34 CO 0.26 -0.61 0.32 0.12 0.04 0.00 0.00 177.00 177.12 1wrf s PHE 35 N 3.12 3.22 -0.15 0.56 5.36 -0.75 -4.75 117.98 124.60 1wrf s PHE 35 Ca 0.42 0.04 -0.14 0.00 -0.96 0.00 0.00 56.93 56.29 1wrf s PHE 35 Cb -0.15 -2.58 -0.05 0.00 -0.34 0.00 0.00 43.02 39.91 1wrf s PHE 35 CO 0.07 -0.34 0.29 0.99 -1.46 0.00 0.00 175.22 174.76 1wrf s THR 36 N 1.94 5.30 0.00 0.12 2.01 -1.26 0.22 115.64 123.97 1wrf s THR 36 Ca 0.11 0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.67 1wrf s THR 36 Cb -0.16 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1wrf s THR 36 CO 0.11 0.41 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.90 1wrf s LEU 37 N 0.32 2.05 -0.12 4.42 -0.00 -0.75 -3.61 118.68 121.00 1wrf s LEU 37 Ca 0.17 -0.20 0.03 0.00 -0.00 0.00 0.00 54.13 54.13 1wrf s LEU 37 Cb -0.13 -0.34 0.01 0.00 -0.00 0.00 0.00 46.19 45.73 1wrf s LEU 37 CO 0.04 0.04 -0.21 -1.61 -0.00 0.00 0.00 176.35 174.62 1wrf s GLU 38 N -0.40 2.78 -0.08 1.48 2.02 -0.53 -2.19 118.70 121.77 1wrf s GLU 38 Ca 0.01 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1wrf s GLU 38 Cb -0.04 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.01 1wrf s GLU 38 CO -0.00 0.04 -0.04 0.00 0.02 0.00 0.00 175.26 175.28 1wrf s ALA 39 N 0.68 0.97 0.18 5.21 0.00 -1.08 -1.41 121.76 126.31 1wrf s ALA 39 Ca -0.11 -0.30 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1wrf s ALA 39 Cb -0.16 -0.77 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1wrf s ALA 39 CO 0.02 -0.37 0.63 -0.51 0.00 0.00 0.00 175.76 175.53 1wrf s LEU 40 N 1.69 4.33 -0.19 0.00 1.43 -1.23 -3.36 118.68 121.35 1wrf s LEU 40 Ca 0.02 1.22 -0.22 0.00 -1.03 0.00 0.00 54.13 54.12 1wrf s LEU 40 Cb -0.13 -3.43 0.06 0.00 0.03 0.00 0.00 46.19 42.72 1wrf s LEU 40 CO -0.05 0.06 0.61 0.72 0.23 0.00 0.00 176.35 177.92 1wrf s PHE 41 N -1.51 -0.65 -0.44 0.29 -0.12 -0.77 -0.70 117.98 114.08 1wrf s PHE 41 Ca 0.41 1.51 -0.25 0.00 -0.05 0.00 0.00 56.93 58.54 1wrf s PHE 41 Cb -0.15 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.51 1wrf s PHE 41 CO 0.20 -0.37 0.90 -0.51 -0.05 0.00 0.00 175.22 175.39 1wrf s ASP 42 N 0.03 6.52 -0.36 1.98 1.01 -1.25 -1.18 116.67 123.41 1wrf s ASP 42 Ca -0.02 0.18 -0.40 0.00 0.71 0.00 0.00 52.55 53.02 1wrf s ASP 42 Cb -0.04 -2.44 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 1wrf s ASP 42 CO 0.02 -0.98 1.96 0.00 0.21 0.00 0.00 175.17 176.38 1wrf n ALA 43 N 7.00 0.23 1.62 5.23 0.00 0.15 -4.76 120.51 129.98 1wrf n ALA 43 Ca 0.06 0.21 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1wrf n ALA 43 Cb 0.48 -2.28 0.22 0.00 0.00 0.00 0.00 19.45 17.87 1wrf n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wrf n ASN 44 N 7.16 0.69 -3.56 0.00 0.23 -1.26 -1.51 115.26 117.01 1wrf n ASN 44 Ca 0.37 -1.82 -0.07 0.00 -0.53 0.00 0.00 54.58 52.53 1wrf n ASN 44 Cb 0.11 -0.07 -0.02 0.00 -2.08 0.00 0.00 39.78 37.72 1wrf n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wrf s GLN 45 N -1.86 0.80 -0.24 -3.83 -2.07 -1.26 -4.89 119.66 106.31 1wrf s GLN 45 Ca 0.17 -0.33 -0.21 0.00 -1.82 0.00 0.00 55.36 53.17 1wrf s GLN 45 Cb 0.08 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 1wrf s GLN 45 CO 0.13 -0.36 0.65 0.54 -1.32 0.00 0.00 175.29 174.93 1wrf s ASN 46 N -2.54 6.62 -0.02 12.60 4.22 -1.25 -2.91 114.94 131.66 1wrf s ASN 46 Ca 0.07 0.76 -0.02 0.00 -2.14 0.00 0.00 52.86 51.53 1wrf s ASN 46 Cb -0.01 -2.35 0.00 0.00 1.28 0.00 0.00 41.25 40.18 1wrf s ASN 46 CO -0.06 -0.37 0.05 0.28 -2.04 0.00 0.00 177.10 174.96 1wrf s THR 47 N 2.44 0.02 -0.91 0.54 -1.32 -0.59 -4.82 115.64 111.00 1wrf s THR 47 Ca 0.27 -0.15 0.27 0.00 -1.21 0.00 0.00 61.69 60.88 1wrf s THR 47 Cb -0.16 -0.13 0.15 0.00 -1.51 0.00 0.00 72.50 70.86 1wrf s THR 47 CO 0.09 -0.08 1.67 0.29 -2.21 0.00 0.00 174.62 174.37 1wrf n LYS 48 N 2.79 0.08 -3.80 7.08 4.76 -1.26 -0.31 118.16 127.50 1wrf n LYS 48 Ca -0.14 0.05 -0.13 0.00 -2.87 0.00 0.00 58.31 55.22 1wrf n LYS 48 Cb 0.59 -1.57 -0.13 0.00 -1.84 0.00 0.00 35.03 32.08 1wrf n LYS 48 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1wrf s THR 49 N -3.04 -0.01 0.13 -0.18 -4.23 -1.26 -4.39 115.64 102.66 1wrf s THR 49 Ca 0.11 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1wrf s THR 49 Cb 0.17 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.71 1wrf s THR 49 CO 0.62 0.01 -0.18 0.00 -0.54 0.00 0.00 174.62 174.53 1wrf s ALA 50 N 0.30 1.76 -0.02 3.99 0.00 -1.26 -3.74 121.76 122.79 1wrf s ALA 50 Ca -0.02 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.63 1wrf s ALA 50 Cb -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1wrf s ALA 50 CO -0.01 0.23 -0.09 0.15 0.00 0.00 0.00 175.76 176.04 1wrf s LYS 51 N -2.44 0.94 0.16 0.00 1.02 -0.56 0.56 119.74 119.43 1wrf s LYS 51 Ca 0.10 -0.33 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 1wrf s LYS 51 Cb -0.07 -0.89 -0.06 0.00 -0.52 0.00 0.00 37.83 36.29 1wrf s LYS 51 CO 0.05 0.14 0.44 -1.50 -0.92 0.00 0.00 175.35 173.56 1wrf s ILE 52 N 0.08 5.07 -0.09 2.17 2.07 -1.20 -0.39 121.20 128.91 1wrf s ILE 52 Ca -0.01 0.27 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 1wrf s ILE 52 Cb -0.07 -3.63 0.04 0.00 0.13 0.00 0.00 42.46 38.93 1wrf s ILE 52 CO 0.00 0.05 0.06 -0.70 -1.91 0.00 0.00 174.94 172.45 1wrf s GLU 53 N -2.55 0.09 -0.23 3.50 2.12 0.31 -4.65 118.70 117.29 1wrf s GLU 53 Ca 0.41 0.18 -0.01 0.00 0.36 0.00 0.00 54.97 55.91 1wrf s GLU 53 Cb -0.12 -1.01 0.02 0.00 0.26 0.00 0.00 34.13 33.28 1wrf s GLU 53 CO 0.22 -0.43 -0.09 0.42 -0.54 0.00 0.00 175.26 174.83 1wrf s ILE 54 N 2.12 2.71 0.26 -3.70 1.09 -1.25 -0.33 121.20 122.11 1wrf s ILE 54 Ca 0.04 -0.95 0.10 0.00 -1.10 0.00 0.00 60.65 58.74 1wrf s ILE 54 Cb -0.13 -2.32 -0.04 0.00 -1.06 0.00 0.00 42.46 38.91 1wrf s ILE 54 CO -0.05 0.30 -0.06 -0.54 -0.10 0.00 0.00 174.94 174.49 1wrf s LYS 55 N 1.33 2.12 -0.07 2.79 1.02 -0.89 -1.92 119.74 124.12 1wrf s LYS 55 Ca 0.02 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.51 1wrf s LYS 55 Cb -0.16 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1wrf s LYS 55 CO -0.06 0.36 -0.02 0.00 -0.92 0.00 0.00 175.35 174.71 1wrf s ALA 56 N -2.31 0.76 0.20 5.17 0.00 -0.88 -1.25 121.76 123.45 1wrf s ALA 56 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.05 1wrf s ALA 56 Cb -0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 1wrf s ALA 56 CO 0.18 -0.34 0.47 -1.12 0.00 0.00 0.00 175.76 174.96 1wrf s SER 57 N 1.66 6.53 -0.58 0.00 0.01 -0.33 -0.95 113.70 120.04 1wrf s SER 57 Ca 0.01 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1wrf s SER 57 Cb -0.13 -2.15 0.47 0.00 0.21 0.00 0.00 66.02 64.43 1wrf s SER 57 CO -0.04 -0.04 1.89 0.18 0.41 0.00 0.00 173.24 175.64 1wrf n LEU 58 N -0.18 7.12 0.00 2.44 4.77 -0.16 -1.92 117.00 129.07 1wrf n LEU 58 Ca -0.01 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 1wrf n LEU 58 Cb 0.52 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1wrf n LEU 58 CO 0.47 1.52 0.00 -0.67 -1.33 0.00 0.00 177.39 177.38 1wrf n ASP 59 N -0.92 -2.25 0.00 -1.43 -0.08 -1.17 -4.25 116.55 106.46 1wrf n ASP 59 Ca 0.59 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1wrf n ASP 59 Cb 0.81 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.97 1wrf n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wrf n GLY 60 N -1.74 0.07 3.21 0.27 0.00 -1.26 -5.10 105.19 100.64 1wrf n GLY 60 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1wrf n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wrf s LEU 61 N -1.11 3.52 0.19 0.99 1.02 -1.26 -5.09 118.68 116.93 1wrf s LEU 61 Ca 0.00 -0.98 -0.30 0.00 0.02 0.00 0.00 54.13 52.87 1wrf s LEU 61 Cb 0.00 -1.71 -0.08 0.00 0.02 0.00 0.00 46.19 44.42 1wrf s LEU 61 CO 0.00 -0.18 1.02 -0.70 0.02 0.00 0.00 176.35 176.51 1wrf s GLU 62 N 1.33 4.70 0.37 1.70 2.12 -1.26 -0.98 118.70 126.67 1wrf s GLU 62 Ca -0.01 1.60 0.06 0.00 0.36 0.00 0.00 54.97 56.97 1wrf s GLU 62 Cb -0.18 -3.30 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 1wrf s GLU 62 CO -0.02 0.24 0.02 0.42 -0.54 0.00 0.00 175.26 175.38 1wrf s ILE 63 N -0.52 1.72 -0.13 -3.70 1.01 -0.13 -4.94 121.20 114.51 1wrf s ILE 63 Ca 0.46 -2.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.09 1wrf s ILE 63 Cb -0.27 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 1wrf s ILE 63 CO 0.33 -0.02 -0.13 -1.81 0.00 0.00 0.00 174.94 173.31 1wrf s ASP 64 N -3.62 4.00 -0.35 3.58 1.11 -1.26 -2.08 116.67 118.04 1wrf s ASP 64 Ca 0.35 -0.34 -0.11 0.00 0.18 0.00 0.00 52.55 52.63 1wrf s ASP 64 Cb 0.09 -1.61 0.01 0.00 1.07 0.00 0.00 42.92 42.48 1wrf s ASP 64 CO 0.17 0.16 0.20 -0.69 1.18 0.00 0.00 175.17 176.19 1wrf s VAL 65 N 0.39 4.76 0.00 -1.27 1.01 -0.81 -4.87 120.40 119.62 1wrf s VAL 65 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1wrf s VAL 65 Cb -0.16 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1wrf s VAL 65 CO 0.05 -0.11 0.00 -0.81 0.00 0.00 0.00 175.10 174.23 1wrf n PRO 66 N 5.03 2.24 -2.62 2.72 -0.04 -1.26 -4.48 135.00 136.58 1wrf n PRO 66 Ca -0.12 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 1wrf n PRO 66 Cb 0.48 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.94 1wrf n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wrf n GLY 67 N 5.00 -0.50 0.00 0.55 0.00 -1.26 -4.54 105.19 104.44 1wrf n GLY 67 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1wrf n GLY 67 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wrf n ILE 68 N -4.20 0.00 -3.58 -0.61 -5.35 -1.26 -2.84 119.36 101.52 1wrf n ILE 68 Ca -0.20 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 61.88 1wrf n ILE 68 Cb 0.66 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.45 1wrf n ILE 68 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1wrf s ASP 69 N -0.07 5.79 -0.27 7.28 -1.08 -1.26 -4.95 116.67 122.11 1wrf s ASP 69 Ca 0.00 -0.77 -0.03 0.00 -0.52 0.00 0.00 52.55 51.23 1wrf s ASP 69 Cb 0.00 -2.06 0.05 0.00 -1.46 0.00 0.00 42.92 39.45 1wrf s ASP 69 CO 0.00 -0.33 2.59 0.35 0.52 0.00 0.00 175.17 178.30 1wrf n THR 70 N 5.04 2.93 -2.65 1.71 -2.24 -1.26 -3.23 114.28 114.57 1wrf n THR 70 Ca -0.12 -1.98 -0.04 0.00 -2.27 0.00 0.00 64.05 59.64 1wrf n THR 70 Cb 0.48 -1.57 0.06 0.00 -2.10 0.00 0.00 70.33 67.20 1wrf n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wrf n ASN 71 N 1.06 -1.02 0.00 3.42 5.15 -1.24 -4.77 115.26 117.86 1wrf n ASN 71 Ca 0.36 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1wrf n ASN 71 Cb 0.62 0.51 0.00 0.00 -0.53 0.00 0.00 39.78 40.38 1wrf n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wrf n ALA 72 N 1.92 1.18 0.22 5.20 0.00 0.19 -2.11 120.51 127.10 1wrf n ALA 72 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.59 1wrf n ALA 72 Cb 0.70 -0.98 0.52 0.00 0.00 0.00 0.00 19.45 19.69 1wrf n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrf h HIS 74 N 0.00 0.00 0.00 0.00 3.86 -1.77 -3.26 115.15 113.98 1wrf h HIS 74 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1wrf h HIS 74 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1wrf h HIS 74 CO 0.00 0.30 -1.48 1.19 0.86 0.00 0.00 177.93 178.80 1wrf n PHE 75 N -3.57 0.00 -3.38 2.45 3.72 -0.35 -5.01 117.46 111.32 1wrf n PHE 75 Ca -0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 1wrf n PHE 75 Cb 0.44 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1wrf n PHE 75 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1wrf s VAL 76 N -2.47 2.61 -0.81 -4.37 -7.23 -0.33 -4.65 120.40 103.14 1wrf s VAL 76 Ca -0.04 -1.22 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 1wrf s VAL 76 Cb 0.05 -2.83 0.15 0.00 0.56 0.00 0.00 36.38 34.31 1wrf s VAL 76 CO 0.37 0.00 0.91 -0.54 -0.31 0.00 0.00 175.10 175.52 1wrf s LYS 77 N -4.26 3.47 0.24 4.82 1.02 -1.26 -4.64 119.74 119.12 1wrf s LYS 77 Ca 0.50 -1.89 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 1wrf s LYS 77 Cb -0.05 -4.59 -0.07 0.00 -0.52 0.00 0.00 37.83 32.59 1wrf s LYS 77 CO 0.30 -1.56 0.57 0.00 -0.92 0.00 0.00 175.35 173.75 1wrf s PRO 79 N -2.77 4.40 -0.35 0.00 0.04 -1.26 -5.03 135.00 130.03 1wrf s PRO 79 Ca 0.48 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1wrf s PRO 79 Cb -0.11 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.22 1wrf s PRO 79 CO 0.20 -0.25 1.34 -0.51 0.04 0.00 0.00 177.00 177.83 1wrf s LEU 80 N 0.04 3.76 0.20 -3.56 1.43 0.58 -4.80 118.68 116.33 1wrf s LEU 80 Ca 0.57 1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 54.42 1wrf s LEU 80 Cb -0.36 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.24 1wrf s LEU 80 CO 0.37 -1.23 0.91 -0.69 0.23 0.00 0.00 176.35 175.94 1wrf s VAL 81 N 4.81 4.21 -0.21 -1.59 1.01 -1.26 -1.54 120.40 125.82 1wrf s VAL 81 Ca 0.58 2.01 -0.29 0.00 0.00 0.00 0.00 61.98 64.28 1wrf s VAL 81 Cb -0.15 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1wrf s VAL 81 CO 0.27 0.47 1.95 -0.75 0.00 0.00 0.00 175.10 177.04 1wrf s LYS 82 N -0.94 3.46 0.00 2.72 2.20 -1.15 -1.61 119.74 124.43 1wrf s LYS 82 Ca 0.41 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 1wrf s LYS 82 Cb -0.25 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.85 1wrf s LYS 82 CO 0.30 -1.71 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 1wrf n GLY 83 N 5.27 1.76 3.91 5.54 0.00 -0.57 -4.88 105.19 116.22 1wrf n GLY 83 Ca 0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.98 1wrf n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wrf s GLN 84 N 0.00 3.33 0.17 1.61 2.00 -0.63 -4.89 119.66 121.24 1wrf s GLN 84 Ca 0.00 -0.59 0.04 0.00 -2.00 0.00 0.00 55.36 52.80 1wrf s GLN 84 Cb 0.00 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.85 1wrf s GLN 84 CO 0.00 0.55 0.22 -1.14 -0.50 0.00 0.00 175.29 174.42 1wrf s GLN 85 N -2.94 3.19 0.06 1.67 0.74 -1.26 -0.67 119.66 120.45 1wrf s GLN 85 Ca 0.34 -0.74 0.03 0.00 0.05 0.00 0.00 55.36 55.03 1wrf s GLN 85 Cb -0.12 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 1wrf s GLN 85 CO 0.27 0.49 -0.09 0.71 -0.55 0.00 0.00 175.29 176.13 1wrf s TYR 86 N -1.78 0.83 -0.23 1.67 1.51 -0.32 -4.90 117.35 114.12 1wrf s TYR 86 Ca 0.33 -0.56 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1wrf s TYR 86 Cb -0.10 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.31 1wrf s TYR 86 CO 0.26 -0.06 -0.13 0.16 -1.11 0.00 0.00 175.55 174.67 1wrf s ASP 87 N -1.88 3.93 -0.21 2.29 -4.77 -1.26 -1.84 116.67 112.93 1wrf s ASP 87 Ca -0.04 -1.12 -0.04 0.00 -3.30 0.00 0.00 52.55 48.04 1wrf s ASP 87 Cb -0.07 -1.49 -0.01 0.00 -1.09 0.00 0.00 42.92 40.26 1wrf s ASP 87 CO 0.00 -0.13 -0.03 -0.51 0.70 0.00 0.00 175.17 175.20 1wrf s ILE 88 N 1.20 3.57 -0.38 2.11 2.07 -1.21 -4.51 121.20 124.04 1wrf s ILE 88 Ca -0.04 -0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 58.65 1wrf s ILE 88 Cb -0.18 -2.62 0.03 0.00 0.13 0.00 0.00 42.46 39.83 1wrf s ILE 88 CO -0.08 0.42 0.22 -0.75 -1.91 0.00 0.00 174.94 172.85 1wrf s LYS 89 N 1.32 2.82 0.01 3.50 2.20 -1.26 -2.63 119.74 125.70 1wrf s LYS 89 Ca 0.04 -1.10 0.06 0.00 -0.36 0.00 0.00 55.97 54.61 1wrf s LYS 89 Cb -0.14 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1wrf s LYS 89 CO -0.01 -0.73 -0.19 -0.47 -0.36 0.00 0.00 175.35 173.59 1wrf s TYR 90 N 1.56 1.71 0.11 4.03 5.04 -0.93 -4.93 117.35 123.94 1wrf s TYR 90 Ca 0.02 -0.34 -0.14 0.00 -2.44 0.00 0.00 57.07 54.17 1wrf s TYR 90 Cb -0.19 -1.06 -0.07 0.00 0.35 0.00 0.00 41.96 40.99 1wrf s TYR 90 CO 0.07 0.02 0.51 0.99 -1.34 0.00 0.00 175.55 175.80 1wrf s THR 91 N -0.61 4.91 -0.58 4.34 2.01 -1.26 -1.82 115.64 122.63 1wrf s THR 91 Ca 0.07 0.79 0.03 0.00 0.31 0.00 0.00 61.69 62.89 1wrf s THR 91 Cb -0.08 -3.73 0.14 0.00 0.01 0.00 0.00 72.50 68.85 1wrf s THR 91 CO 0.00 0.31 0.34 0.86 -0.69 0.00 0.00 174.62 175.44 1wrf s TRP 92 N -1.39 3.31 -0.43 4.92 -0.00 0.13 -4.77 118.94 120.71 1wrf s TRP 92 Ca 0.35 -3.16 -0.27 0.00 -0.00 0.00 0.00 56.10 53.02 1wrf s TRP 92 Cb -0.15 -2.86 -0.04 0.00 -0.00 0.00 0.00 33.47 30.42 1wrf s TRP 92 CO 0.18 -0.71 2.11 1.21 -0.00 0.00 0.00 176.95 179.74 1wrf s ASN 93 N -0.42 5.15 0.44 5.86 2.47 -1.13 -1.80 114.94 125.51 1wrf s ASN 93 Ca 0.19 1.11 -0.24 0.00 0.42 0.00 0.00 52.86 54.33 1wrf s ASN 93 Cb -0.20 -2.51 -0.09 0.00 -1.45 0.00 0.00 41.25 36.99 1wrf s ASN 93 CO -0.04 -2.33 1.21 0.52 -3.72 0.00 0.00 177.10 172.74 1wrf n VAL 94 N 7.63 2.72 0.41 -5.21 0.31 -1.21 -4.46 118.33 118.53 1wrf n VAL 94 Ca 0.28 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 64.15 1wrf n VAL 94 Cb 0.50 -1.47 0.21 0.00 -0.91 0.00 0.00 33.84 32.17 1wrf n VAL 94 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wrf n PRO 95 N -0.10 0.16 -0.72 5.55 -0.04 -1.26 -4.32 135.00 134.27 1wrf n PRO 95 Ca 0.08 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1wrf n PRO 95 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1wrf n PRO 95 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wrf n LYS 96 N -1.17 -0.18 -0.10 0.54 4.76 -1.26 -4.70 118.16 116.05 1wrf n LYS 96 Ca 0.04 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 1wrf n LYS 96 Cb 0.05 -3.89 -0.16 0.00 -1.84 0.00 0.00 35.03 29.19 1wrf n LYS 96 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1wrf n ILE 97 N -2.05 1.36 -1.08 -0.18 -5.35 -1.26 -4.85 119.36 105.95 1wrf n ILE 97 Ca 0.00 -0.84 -0.44 0.00 -0.27 0.00 0.00 62.75 61.21 1wrf n ILE 97 Cb 0.05 -0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 37.39 1wrf n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wrf n ALA 98 N -2.74 -0.68 -1.85 -1.28 0.00 -1.26 -4.86 120.51 107.83 1wrf n ALA 98 Ca -0.32 0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.11 1wrf n ALA 98 Cb 1.14 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 19.46 1wrf n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wrf s PRO 99 N 2.38 1.07 -1.41 0.00 0.04 -1.26 -4.79 135.00 131.03 1wrf s PRO 99 Ca 0.71 -0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.45 1wrf s PRO 99 Cb -0.99 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 31.74 1wrf s PRO 99 CO 0.52 -2.16 2.09 1.63 0.04 0.00 0.00 177.00 179.11 1wrf n LYS 100 N -3.65 2.99 -2.64 4.56 5.02 -1.26 -4.69 118.16 118.48 1wrf n LYS 100 Ca 0.12 -2.83 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 1wrf n LYS 100 Cb 0.60 -3.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.28 1wrf n LYS 100 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1wrf s SER 101 N 3.25 6.32 0.55 4.39 1.04 -1.24 -4.85 113.70 123.16 1wrf s SER 101 Ca 0.48 -0.22 0.48 0.00 0.48 0.00 0.00 55.95 57.17 1wrf s SER 101 Cb 0.11 -2.52 1.71 0.00 0.10 0.00 0.00 66.02 65.42 1wrf s SER 101 CO -0.05 -1.53 1.61 1.05 0.98 0.00 0.00 173.24 175.30 1wrf h GLU 102 N 9.64 0.00 -4.28 4.02 -0.00 -1.91 -1.98 114.58 120.08 1wrf h GLU 102 Ca -0.26 -0.00 -0.43 0.00 -0.00 0.00 0.00 59.36 58.67 1wrf h GLU 102 Cb 1.06 -0.00 -0.33 0.00 -0.00 0.00 0.00 28.75 29.48 1wrf h GLU 102 CO 1.19 0.00 -0.78 1.21 -0.00 0.00 0.00 179.01 180.63 1wrf s ASN 103 N -4.08 1.12 0.02 3.06 3.84 -1.25 -4.13 114.94 113.52 1wrf s ASN 103 Ca -0.05 -0.17 0.04 0.00 0.21 0.00 0.00 52.86 52.89 1wrf s ASN 103 Cb 0.26 -0.46 -0.02 0.00 -0.55 0.00 0.00 41.25 40.49 1wrf s ASN 103 CO 0.88 0.00 -0.11 -0.69 -2.79 0.00 0.00 177.10 174.39 1wrf s VAL 104 N 0.61 0.88 -0.23 -5.21 1.01 -0.28 -3.02 120.40 114.17 1wrf s VAL 104 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1wrf s VAL 104 Cb -0.12 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1wrf s VAL 104 CO 0.01 0.00 -0.14 -0.69 0.00 0.00 0.00 175.10 174.28 1wrf s VAL 105 N -0.73 2.16 -0.08 2.92 1.01 -0.81 -3.52 120.40 121.36 1wrf s VAL 105 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 1wrf s VAL 105 Cb -0.07 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1wrf s VAL 105 CO 0.01 0.19 0.28 -0.69 0.00 0.00 0.00 175.10 174.88 1wrf s VAL 106 N 1.18 5.28 -0.14 2.92 1.01 -1.23 -1.18 120.40 128.23 1wrf s VAL 106 Ca -0.04 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1wrf s VAL 106 Cb -0.17 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1wrf s VAL 106 CO -0.08 0.55 -0.19 -0.89 0.00 0.00 0.00 175.10 174.49 1wrf s THR 107 N -0.69 2.29 -0.19 3.92 2.01 -0.38 -0.56 115.64 122.05 1wrf s THR 107 Ca 0.19 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 1wrf s THR 107 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1wrf s THR 107 CO 0.07 0.54 0.09 0.54 -0.69 0.00 0.00 174.62 175.17 1wrf s VAL 108 N 0.81 5.00 -0.03 3.82 0.11 -0.69 -2.10 120.40 127.32 1wrf s VAL 108 Ca -0.07 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1wrf s VAL 108 Cb -0.15 -3.27 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1wrf s VAL 108 CO -0.01 0.45 0.06 -0.75 -3.33 0.00 0.00 175.10 171.52 1wrf s LYS 109 N 0.37 0.00 -0.10 1.54 2.20 0.55 0.48 119.74 124.79 1wrf s LYS 109 Ca 0.05 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.84 1wrf s LYS 109 Cb -0.12 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 35.96 1wrf s LYS 109 CO -0.01 -0.15 0.05 -0.51 -0.36 0.00 0.00 175.35 174.38 1wrf s LEU 110 N 0.98 3.87 -0.15 5.43 1.43 -0.60 0.11 118.68 129.77 1wrf s LEU 110 Ca -0.08 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1wrf s LEU 110 Cb -0.11 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.25 1wrf s LEU 110 CO -0.03 0.38 0.07 -0.63 0.23 0.00 0.00 176.35 176.37 1wrf s ILE 111 N -0.89 0.06 0.00 -0.59 1.09 0.48 0.12 121.20 121.47 1wrf s ILE 111 Ca 0.13 -0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1wrf s ILE 111 Cb -0.12 -0.60 0.00 0.00 -1.06 0.00 0.00 42.46 40.69 1wrf s ILE 111 CO 0.03 -0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.31 1wrf n GLY 112 N 5.23 0.97 0.61 6.18 0.00 0.09 -1.49 105.19 116.77 1wrf n GLY 112 Ca -0.07 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1wrf n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wrf n ASP 113 N 0.00 2.03 -0.23 1.61 8.00 -1.25 -4.06 116.55 122.65 1wrf n ASP 113 Ca 0.00 -1.57 0.03 0.00 0.71 0.00 0.00 54.79 53.96 1wrf n ASP 113 Cb 0.00 0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.24 1wrf n ASP 113 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1wrf n ASN 114 N 0.40 1.45 0.00 -2.24 5.03 -1.26 -5.10 115.26 113.53 1wrf n ASN 114 Ca 0.14 -1.23 0.00 0.00 0.87 0.00 0.00 54.58 54.37 1wrf n ASN 114 Cb 0.46 0.04 0.00 0.00 -1.02 0.00 0.00 39.78 39.25 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wrf n GLY 115 N 0.36 0.22 3.61 7.41 0.00 -1.26 -5.05 105.19 110.48 1wrf n GLY 115 Ca 0.03 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1wrf n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wrf s VAL 116 N -2.36 4.10 0.22 1.61 1.01 -1.26 -0.73 120.40 122.99 1wrf s VAL 116 Ca 0.00 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 1wrf s VAL 116 Cb 0.00 -4.38 0.19 0.00 0.00 0.00 0.00 36.38 32.20 1wrf s VAL 116 CO 0.00 -0.80 1.89 -0.07 0.00 0.00 0.00 175.10 176.11 1wrf h LEU 117 N 11.47 1.00 -8.33 3.92 3.38 0.66 -3.46 115.31 123.95 1wrf h LEU 117 Ca -0.25 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 1wrf h LEU 117 Cb 1.08 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1wrf h LEU 117 CO 1.09 0.74 -0.07 0.00 0.09 0.00 0.00 178.44 180.30 1wrf s ALA 118 N -6.07 0.15 -0.03 1.53 0.00 -1.06 -4.43 121.76 111.85 1wrf s ALA 118 Ca -0.13 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 50.37 1wrf s ALA 118 Cb 0.16 1.03 0.09 0.00 0.00 0.00 0.00 23.12 24.40 1wrf s ALA 118 CO 0.80 -0.85 0.80 0.00 0.00 0.00 0.00 175.76 176.51 1wrf s ALA 120 N -2.06 -0.73 -0.01 0.00 0.00 0.18 -2.97 121.76 116.17 1wrf s ALA 120 Ca -0.03 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1wrf s ALA 120 Cb -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1wrf s ALA 120 CO -0.01 -0.42 -0.12 0.42 0.00 0.00 0.00 175.76 175.63 1wrf s ILE 121 N -2.56 0.94 0.07 0.00 1.01 -0.97 -1.71 121.20 117.98 1wrf s ILE 121 Ca -0.05 -0.54 0.10 0.00 0.00 0.00 0.00 60.65 60.16 1wrf s ILE 121 Cb -0.01 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1wrf s ILE 121 CO -0.03 0.25 -0.26 0.00 0.00 0.00 0.00 174.94 174.89 1wrf s ALA 122 N -0.32 2.28 0.27 9.38 0.00 0.28 -0.85 121.76 132.80 1wrf s ALA 122 Ca 0.04 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1wrf s ALA 122 Cb -0.05 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1wrf s ALA 122 CO -0.00 0.53 0.10 0.95 0.00 0.00 0.00 175.76 177.34 1wrf s THR 123 N -0.87 0.59 -1.06 0.00 -4.23 -1.26 -3.55 115.64 105.27 1wrf s THR 123 Ca 0.12 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1wrf s THR 123 Cb -0.10 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1wrf s THR 123 CO 0.03 0.00 0.92 1.41 -0.54 0.00 0.00 174.62 176.44 1wrf n HIS 124 N -0.50 -2.24 -4.15 3.99 8.25 -1.26 -4.97 115.22 114.34 1wrf n HIS 124 Ca -0.00 0.80 -0.23 0.00 -0.26 0.00 0.00 57.72 58.03 1wrf n HIS 124 Cb 0.66 -4.18 -0.06 0.00 1.12 0.00 0.00 29.99 27.53 1wrf n HIS 124 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1wrf s GLY 125 N -3.29 1.78 -0.13 -1.41 0.00 -1.23 -3.59 107.32 99.44 1wrf s GLY 125 Ca 0.44 -1.71 -0.11 0.00 0.00 0.00 0.00 44.72 43.34 1wrf s GLY 125 CO 0.57 -1.70 0.34 1.25 0.00 0.00 0.00 173.10 173.57 1wrf s LYS 126 N -3.79 0.38 -0.09 2.90 2.20 -0.44 -1.12 119.74 119.76 1wrf s LYS 126 Ca 0.35 0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 56.47 1wrf s LYS 126 Cb -0.05 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1wrf s LYS 126 CO 0.22 -0.08 0.03 0.42 -0.36 0.00 0.00 175.35 175.58 1wrf s ILE 127 N 0.49 4.55 0.16 5.43 1.01 -0.74 -1.69 121.20 130.41 1wrf s ILE 127 Ca -0.03 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1wrf s ILE 127 Cb -0.04 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1wrf s ILE 127 CO -0.03 0.61 -0.03 -0.13 0.00 0.00 0.00 174.94 175.36 1wrf s ARG 128 N -0.88 1.09 0.00 2.79 0.52 -0.86 -3.72 118.95 117.88 1wrf s ARG 128 Ca 0.13 -1.50 0.06 0.00 -0.52 0.00 0.00 55.73 53.90 1wrf s ARG 128 Cb -0.11 -0.38 0.05 0.00 0.52 0.00 0.00 34.95 35.02 1wrf s ARG 128 CO 0.03 -0.06 0.69 -0.25 0.02 0.00 0.00 175.30 175.73