#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 3.29 0.24 -1.24 -2.07 -1.26 -4.20 119.66 114.41 1wrf s GLN 2 Ca 0.00 1.23 0.06 0.00 -1.82 0.00 0.00 55.36 54.83 1wrf s GLN 2 Cb 0.00 -2.03 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 1wrf s GLN 2 CO 0.00 -0.84 0.25 0.14 -1.32 0.00 0.00 175.29 173.52 1wrf s VAL 3 N -2.42 4.77 -0.12 3.63 -7.23 -1.25 -4.39 120.40 113.39 1wrf s VAL 3 Ca 0.64 -1.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.31 1wrf s VAL 3 Cb -0.17 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.17 1wrf s VAL 3 CO 0.37 -0.32 1.52 -0.62 -0.31 0.00 0.00 175.10 175.74 1wrf s ASP 4 N -3.82 6.72 -0.00 4.85 -1.08 -1.26 -4.84 116.67 117.23 1wrf s ASP 4 Ca 0.33 1.96 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 1wrf s ASP 4 Cb -0.09 -2.53 -0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1wrf s ASP 4 CO 0.26 -0.92 -0.01 0.68 0.52 0.00 0.00 175.17 175.71 1wrf s VAL 5 N 4.03 0.04 -0.33 1.11 -7.23 -1.26 -3.81 120.40 112.96 1wrf s VAL 5 Ca 0.67 -0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.76 1wrf s VAL 5 Cb -0.28 -0.05 0.05 0.00 0.56 0.00 0.00 36.38 36.66 1wrf s VAL 5 CO 0.25 0.00 0.08 -0.75 -0.31 0.00 0.00 175.10 174.37 1wrf s LYS 6 N -0.04 2.52 0.04 4.82 2.20 -0.50 -4.82 119.74 123.97 1wrf s LYS 6 Ca -0.00 -1.25 -0.30 0.00 -0.36 0.00 0.00 55.97 54.06 1wrf s LYS 6 Cb -0.00 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1wrf s LYS 6 CO -0.00 -0.68 1.95 -0.51 -0.36 0.00 0.00 175.35 175.75 1wrf s ASP 7 N 1.39 6.45 -0.24 1.43 1.01 -1.26 -2.40 116.67 123.06 1wrf s ASP 7 Ca -0.02 2.67 0.08 0.00 0.71 0.00 0.00 52.55 55.99 1wrf s ASP 7 Cb -0.20 -2.53 0.61 0.00 1.01 0.00 0.00 42.92 41.81 1wrf s ASP 7 CO 0.01 -1.05 1.56 0.00 0.21 0.00 0.00 175.17 175.90 1wrf n ALA 9 N 0.09 0.00 0.00 0.00 0.00 -1.26 -4.90 120.51 114.44 1wrf n ALA 9 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1wrf n ALA 9 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.58 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 -1.02 0.00 -2.56 0.00 5.03 -1.26 -4.98 115.26 110.47 1wrf n ASN 10 Ca 0.00 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 1wrf n ASN 10 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.82 1wrf n ASN 10 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wrf n ASN 11 N 0.00 -2.50 0.00 6.41 4.13 -1.26 -4.98 115.26 117.06 1wrf n ASN 11 Ca 0.00 -0.40 -0.02 0.00 1.68 0.00 0.00 54.58 55.83 1wrf n ASN 11 Cb 0.00 -3.46 -0.01 0.00 -1.54 0.00 0.00 39.78 34.77 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wrf n GLU 12 N -2.93 0.15 -1.68 3.52 4.71 -1.26 -4.94 120.64 118.21 1wrf n GLU 12 Ca -0.16 0.06 -0.45 0.00 -0.01 0.00 0.00 57.16 56.60 1wrf n GLU 12 Cb 0.60 -0.70 -0.04 0.00 -1.01 0.00 0.00 31.44 30.30 1wrf n GLU 12 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1wrf n ILE 13 N -3.59 0.45 0.35 -3.67 2.08 -1.26 -3.24 119.36 110.47 1wrf n ILE 13 Ca -0.04 -0.08 0.14 0.00 0.56 0.00 0.00 62.75 63.34 1wrf n ILE 13 Cb 0.14 -1.98 0.55 0.00 -0.75 0.00 0.00 39.64 37.60 1wrf n ILE 13 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1wrf h LYS 14 N 8.69 0.00 0.00 0.38 1.79 -1.47 -3.47 116.57 122.48 1wrf h LYS 14 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 1wrf h LYS 14 Cb 1.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1wrf h LYS 14 CO 0.94 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 179.67 1wrf n LYS 15 N -2.70 0.00 -4.77 3.15 2.85 -1.26 -5.02 118.16 110.41 1wrf n LYS 15 Ca 0.02 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.95 1wrf n LYS 15 Cb 0.31 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.54 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 -1.07 2.85 0.05 0.58 0.11 -1.26 -3.60 120.40 118.06 1wrf s VAL 16 Ca 0.00 -0.73 0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1wrf s VAL 16 Cb 0.00 -2.19 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1wrf s VAL 16 CO 0.00 0.53 -0.20 -0.04 -3.33 0.00 0.00 175.10 172.06 1wrf s MET 17 N 0.46 1.31 0.38 1.54 1.00 -0.96 -3.88 119.30 119.15 1wrf s MET 17 Ca -0.11 -0.93 0.05 0.00 0.00 0.00 0.00 55.69 54.70 1wrf s MET 17 Cb -0.16 -1.42 -0.00 0.00 0.00 0.00 0.00 34.83 33.24 1wrf s MET 17 CO 0.05 0.36 0.53 0.08 0.00 0.00 0.00 175.02 176.04 1wrf s VAL 18 N -0.83 3.92 0.54 -6.03 1.01 -1.26 -1.89 120.40 115.85 1wrf s VAL 18 Ca 0.07 -0.87 0.37 0.00 0.00 0.00 0.00 61.98 61.54 1wrf s VAL 18 Cb -0.09 -3.38 0.57 0.00 0.00 0.00 0.00 36.38 33.48 1wrf s VAL 18 CO 0.02 -0.18 1.78 -2.24 0.00 0.00 0.00 175.10 174.48 1wrf h ASP 19 N 0.73 0.02 0.00 3.32 2.03 -1.88 -3.43 116.42 117.21 1wrf h ASP 19 Ca -0.45 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1wrf h ASP 19 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1wrf h ASP 19 CO 0.53 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.35 1wrf n GLY 20 N -1.77 1.27 1.43 7.15 0.00 -1.26 -4.76 105.19 107.24 1wrf n GLY 20 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.90 0.00 0.00 0.00 8.25 -1.26 -4.87 115.22 114.44 1wrf n HIS 22 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wrf n HIS 22 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1wrf n HIS 22 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wrf n GLY 23 N 0.00 1.40 0.33 -1.41 0.00 -1.26 -4.49 105.19 99.76 1wrf n GLY 23 Ca 0.00 -0.98 0.17 0.00 0.00 0.00 0.00 46.02 45.21 1wrf n GLY 23 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wrf h SER 24 N 0.00 0.51 -3.81 1.61 4.64 -1.93 -3.40 113.55 111.17 1wrf h SER 24 Ca 0.00 0.16 -0.44 0.00 -0.47 0.00 0.00 61.79 61.04 1wrf h SER 24 Cb 0.00 0.09 0.17 0.00 -0.31 0.00 0.00 62.40 62.35 1wrf h SER 24 CO 0.00 0.01 0.23 -1.81 -0.87 0.00 0.00 176.83 174.39 1wrf s ASP 25 N -5.13 2.11 0.13 4.97 1.11 -1.26 -4.99 116.67 113.60 1wrf s ASP 25 Ca -0.11 0.71 -0.30 0.00 0.18 0.00 0.00 52.55 53.03 1wrf s ASP 25 Cb 0.27 -1.05 -0.06 0.00 1.07 0.00 0.00 42.92 43.15 1wrf s ASP 25 CO 0.79 -3.40 0.98 -2.16 1.18 0.00 0.00 175.17 172.56 1wrf s PRO 26 N -5.40 4.70 -0.00 8.23 0.04 -1.26 -4.90 135.00 136.40 1wrf s PRO 26 Ca 0.69 1.48 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1wrf s PRO 26 Cb -0.11 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 1wrf s PRO 26 CO 0.55 0.22 -0.10 0.00 0.04 0.00 0.00 177.00 177.71 1wrf s ILE 28 N -0.93 3.92 -0.30 0.00 -1.09 -1.26 -1.86 121.20 119.69 1wrf s ILE 28 Ca 0.15 -0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 58.00 1wrf s ILE 28 Cb -0.11 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1wrf s ILE 28 CO 0.05 0.27 0.26 -0.63 -1.23 0.00 0.00 174.94 173.67 1wrf s ILE 29 N 1.54 5.26 -0.24 2.92 1.01 -0.76 -4.88 121.20 126.04 1wrf s ILE 29 Ca 0.05 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.70 1wrf s ILE 29 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1wrf s ILE 29 CO 0.01 0.13 0.37 -1.00 0.00 0.00 0.00 174.94 174.45 1wrf s HIS 30 N 1.85 3.30 0.62 3.97 3.76 -1.26 -1.63 115.29 125.89 1wrf s HIS 30 Ca 0.09 0.48 -0.18 0.00 -0.15 0.00 0.00 55.06 55.30 1wrf s HIS 30 Cb -0.16 -2.53 -0.02 0.00 1.11 0.00 0.00 32.58 30.97 1wrf s HIS 30 CO 0.11 -0.12 1.18 -0.98 -0.85 0.00 0.00 174.74 174.08 1wrf s ARG 31 N 1.70 2.85 0.00 1.40 1.70 -1.22 -2.64 118.95 122.75 1wrf s ARG 31 Ca 0.16 1.72 0.00 0.00 -0.47 0.00 0.00 55.73 57.14 1wrf s ARG 31 Cb -0.15 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.30 1wrf s ARG 31 CO 0.09 -1.27 0.00 0.41 -1.08 0.00 0.00 175.30 173.44 1wrf n GLY 32 N 0.28 2.74 3.72 3.88 0.00 -1.26 -4.90 105.19 109.64 1wrf n GLY 32 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.60 2.72 -0.15 1.61 -2.85 -1.08 -4.92 119.74 114.47 1wrf s LYS 33 Ca 0.00 -0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 53.94 1wrf s LYS 33 Cb 0.00 -2.63 -0.01 0.00 -2.06 0.00 0.00 37.83 33.13 1wrf s LYS 33 CO 0.00 0.57 1.10 -1.25 0.10 0.00 0.00 175.35 175.87 1wrf s PRO 34 N -2.15 4.32 -0.26 1.78 0.04 -1.26 -3.75 135.00 133.72 1wrf s PRO 34 Ca 0.25 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1wrf s PRO 34 Cb -0.12 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.75 1wrf s PRO 34 CO 0.17 -0.52 0.16 0.12 0.04 0.00 0.00 177.00 176.98 1wrf s PHE 35 N 2.75 3.25 -0.14 0.56 5.36 -0.95 -4.90 117.98 123.91 1wrf s PHE 35 Ca 0.49 0.13 -0.07 0.00 -0.96 0.00 0.00 56.93 56.52 1wrf s PHE 35 Cb -0.19 -2.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 1wrf s PHE 35 CO 0.14 -0.06 0.12 0.99 -1.46 0.00 0.00 175.22 174.95 1wrf s THR 36 N 1.39 5.36 -0.09 0.12 2.01 -1.26 -0.70 115.64 122.47 1wrf s THR 36 Ca 0.07 0.16 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 1wrf s THR 36 Cb -0.15 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.05 1wrf s THR 36 CO 0.07 0.58 0.21 -1.48 -0.69 0.00 0.00 174.62 173.31 1wrf s LEU 37 N -0.68 0.39 -0.18 4.42 0.05 -1.13 -3.25 118.68 118.30 1wrf s LEU 37 Ca 0.13 0.44 -0.07 0.00 0.05 0.00 0.00 54.13 54.69 1wrf s LEU 37 Cb -0.12 0.57 -0.04 0.00 -2.05 0.00 0.00 46.19 44.56 1wrf s LEU 37 CO 0.02 -0.18 0.04 -1.61 -0.55 0.00 0.00 176.35 174.08 1wrf s GLU 38 N 1.45 3.89 -0.12 1.48 2.02 -0.79 -3.35 118.70 123.28 1wrf s GLU 38 Ca -0.07 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1wrf s GLU 38 Cb -0.11 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 31.00 1wrf s GLU 38 CO -0.07 0.25 -0.10 0.00 0.02 0.00 0.00 175.26 175.36 1wrf s ALA 39 N 0.41 1.46 0.06 5.21 0.00 -1.10 -2.26 121.76 125.53 1wrf s ALA 39 Ca 0.01 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 1wrf s ALA 39 Cb -0.13 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1wrf s ALA 39 CO 0.01 -0.36 0.50 -0.51 0.00 0.00 0.00 175.76 175.40 1wrf s LEU 40 N 1.56 4.47 -0.23 0.00 1.43 -1.24 -3.28 118.68 121.39 1wrf s LEU 40 Ca 0.03 1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 54.06 1wrf s LEU 40 Cb -0.13 -2.84 0.06 0.00 0.03 0.00 0.00 46.19 43.32 1wrf s LEU 40 CO -0.08 0.26 0.59 0.72 0.23 0.00 0.00 176.35 178.07 1wrf s PHE 41 N -1.16 -0.75 -0.40 0.29 -0.12 -0.94 -1.06 117.98 113.84 1wrf s PHE 41 Ca 0.28 1.68 -0.26 0.00 -0.05 0.00 0.00 56.93 58.58 1wrf s PHE 41 Cb -0.18 0.34 0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1wrf s PHE 41 CO 0.17 -0.38 0.97 -0.51 -0.05 0.00 0.00 175.22 175.42 1wrf s ASP 42 N 0.86 6.65 -0.39 1.98 1.11 -1.20 -1.65 116.67 124.02 1wrf s ASP 42 Ca -0.04 0.49 -0.40 0.00 0.18 0.00 0.00 52.55 52.78 1wrf s ASP 42 Cb -0.05 -2.48 -0.15 0.00 1.07 0.00 0.00 42.92 41.31 1wrf s ASP 42 CO -0.07 -0.97 2.06 0.00 1.18 0.00 0.00 175.17 177.37 1wrf n ALA 43 N 7.04 0.43 1.33 5.23 0.00 0.06 -4.74 120.51 129.86 1wrf n ALA 43 Ca 0.08 0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.69 1wrf n ALA 43 Cb 0.48 -2.30 0.08 0.00 0.00 0.00 0.00 19.45 17.72 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 7.91 1.10 -3.60 0.00 0.23 -1.26 -1.01 115.26 118.63 1wrf n ASN 44 Ca 0.42 -2.02 -0.10 0.00 -0.53 0.00 0.00 54.58 52.35 1wrf n ASN 44 Cb 0.11 -0.16 -0.06 0.00 -2.08 0.00 0.00 39.78 37.58 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 -1.72 0.58 -0.26 -3.83 -2.07 -1.26 -4.91 119.66 106.19 1wrf s GLN 45 Ca 0.12 0.36 -0.25 0.00 -1.82 0.00 0.00 55.36 53.78 1wrf s GLN 45 Cb 0.07 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.26 1wrf s GLN 45 CO 0.08 -0.14 0.86 0.54 -1.32 0.00 0.00 175.29 175.31 1wrf s ASN 46 N -0.49 6.83 0.08 12.60 2.20 -1.25 -3.52 114.94 131.38 1wrf s ASN 46 Ca 0.00 0.99 0.01 0.00 -0.94 0.00 0.00 52.86 52.92 1wrf s ASN 46 Cb -0.03 -2.45 -0.04 0.00 -2.00 0.00 0.00 41.25 36.74 1wrf s ASN 46 CO -0.02 -0.58 -0.05 0.28 -2.94 0.00 0.00 177.10 173.79 1wrf s THR 47 N 2.96 0.53 -0.17 0.54 -1.32 -0.41 -4.83 115.64 112.94 1wrf s THR 47 Ca 0.36 -1.87 0.18 0.00 -1.21 0.00 0.00 61.69 59.15 1wrf s THR 47 Cb -0.15 -1.59 -0.26 0.00 -1.51 0.00 0.00 72.50 68.99 1wrf s THR 47 CO 0.09 -0.90 0.13 0.29 -2.21 0.00 0.00 174.62 172.01 1wrf n LYS 48 N 0.06 0.75 -4.69 7.08 4.01 -1.26 -0.58 118.16 123.52 1wrf n LYS 48 Ca -0.13 -0.04 -0.34 0.00 -0.51 0.00 0.00 58.31 57.30 1wrf n LYS 48 Cb 0.61 -1.51 -0.12 0.00 -0.51 0.00 0.00 35.03 33.50 1wrf n LYS 48 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1wrf s THR 49 N -2.62 3.51 0.02 -0.18 -4.23 -1.26 -4.35 115.64 106.54 1wrf s THR 49 Ca -0.09 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1wrf s THR 49 Cb 0.07 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 1wrf s THR 49 CO 0.82 0.59 0.07 0.00 -0.54 0.00 0.00 174.62 175.56 1wrf s ALA 50 N -0.66 -0.06 -0.03 3.99 0.00 -1.26 -3.84 121.76 119.90 1wrf s ALA 50 Ca 0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1wrf s ALA 50 Cb -0.11 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1wrf s ALA 50 CO 0.01 -0.25 0.09 0.15 0.00 0.00 0.00 175.76 175.76 1wrf s LYS 51 N -2.08 0.14 0.17 0.00 1.02 -0.78 -2.02 119.74 116.20 1wrf s LYS 51 Ca -0.10 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.90 1wrf s LYS 51 Cb -0.05 0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.27 1wrf s LYS 51 CO -0.02 -0.02 0.43 -1.50 -0.92 0.00 0.00 175.35 173.31 1wrf s ILE 52 N -0.11 5.10 -0.09 2.17 2.07 -1.17 -1.03 121.20 128.15 1wrf s ILE 52 Ca -0.02 0.12 -0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1wrf s ILE 52 Cb -0.02 -3.63 0.04 0.00 0.13 0.00 0.00 42.46 38.98 1wrf s ILE 52 CO 0.00 -0.02 0.08 -1.61 -1.91 0.00 0.00 174.94 171.48 1wrf s GLU 53 N -2.78 -0.02 -0.27 3.50 2.02 0.26 -4.63 118.70 116.78 1wrf s GLU 53 Ca 0.43 0.22 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 1wrf s GLU 53 Cb -0.12 -0.99 0.03 0.00 0.10 0.00 0.00 34.13 33.15 1wrf s GLU 53 CO 0.24 -0.46 -0.01 0.42 0.02 0.00 0.00 175.26 175.48 1wrf s ILE 54 N 2.16 3.23 -0.12 -1.63 1.09 -1.22 -0.20 121.20 124.52 1wrf s ILE 54 Ca 0.04 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.61 1wrf s ILE 54 Cb -0.13 -2.69 -0.01 0.00 -1.06 0.00 0.00 42.46 38.56 1wrf s ILE 54 CO -0.05 0.10 -0.15 -0.54 -0.10 0.00 0.00 174.94 174.20 1wrf s LYS 55 N 1.37 3.27 -0.17 2.79 1.02 -0.78 -2.35 119.74 124.88 1wrf s LYS 55 Ca -0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1wrf s LYS 55 Cb -0.17 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 1wrf s LYS 55 CO -0.02 0.24 -0.01 0.00 -0.92 0.00 0.00 175.35 174.64 1wrf s ALA 56 N 0.28 3.08 0.12 5.17 0.00 -1.10 -0.53 121.76 128.78 1wrf s ALA 56 Ca -0.11 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.97 1wrf s ALA 56 Cb -0.16 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1wrf s ALA 56 CO 0.06 0.11 0.32 0.45 0.00 0.00 0.00 175.76 176.69 1wrf s SER 57 N 0.54 6.43 -0.53 0.00 0.15 -0.22 -1.42 113.70 118.66 1wrf s SER 57 Ca -0.01 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.11 1wrf s SER 57 Cb -0.14 -2.03 0.48 0.00 -1.71 0.00 0.00 66.02 62.62 1wrf s SER 57 CO 0.02 0.08 1.78 0.18 1.20 0.00 0.00 173.24 176.50 1wrf n LEU 58 N 0.07 6.66 -0.32 3.45 4.77 -0.23 -2.52 117.00 128.89 1wrf n LEU 58 Ca -0.04 -4.29 -0.04 0.00 -0.03 0.00 0.00 56.01 51.61 1wrf n LEU 58 Cb 0.52 -0.78 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1wrf n LEU 58 CO 0.50 1.57 -0.04 -0.67 -1.33 0.00 0.00 177.39 177.42 1wrf n ASP 59 N -0.91 -5.54 0.00 -1.43 2.03 -1.16 -3.99 116.55 105.54 1wrf n ASP 59 Ca 0.56 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.97 1wrf n ASP 59 Cb 0.87 -3.41 0.00 0.00 -0.72 0.00 0.00 41.12 37.86 1wrf n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wrf n GLY 60 N 0.24 -0.02 3.32 0.27 0.00 -1.26 -5.06 105.19 102.68 1wrf n GLY 60 Ca -0.04 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.52 4.30 0.08 0.99 1.02 -1.26 -5.07 118.68 116.23 1wrf s LEU 61 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 54.13 52.86 1wrf s LEU 61 Cb 0.00 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.25 1wrf s LEU 61 CO 0.00 -0.31 0.97 -0.70 0.02 0.00 0.00 176.35 176.34 1wrf s GLU 62 N 1.47 4.66 0.33 1.70 2.12 -1.26 -1.06 118.70 126.65 1wrf s GLU 62 Ca 0.00 1.45 0.07 0.00 0.36 0.00 0.00 54.97 56.85 1wrf s GLU 62 Cb -0.19 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1wrf s GLU 62 CO 0.04 0.14 -0.02 0.42 -0.54 0.00 0.00 175.26 175.29 1wrf s ILE 63 N 0.26 1.73 -0.25 -3.70 1.01 -0.51 -4.95 121.20 114.79 1wrf s ILE 63 Ca 0.48 -2.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.03 1wrf s ILE 63 Cb -0.23 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.57 1wrf s ILE 63 CO 0.29 -0.14 -0.05 -1.81 0.00 0.00 0.00 174.94 173.23 1wrf s ASP 64 N -3.55 4.38 -0.35 3.58 1.01 -1.26 -2.71 116.67 117.77 1wrf s ASP 64 Ca 0.33 -0.85 -0.26 0.00 0.71 0.00 0.00 52.55 52.47 1wrf s ASP 64 Cb 0.06 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.32 1wrf s ASP 64 CO 0.15 -0.13 0.95 -0.69 0.21 0.00 0.00 175.17 175.66 1wrf s VAL 65 N 1.34 4.59 0.00 -1.27 1.01 -0.99 -4.92 120.40 120.16 1wrf s VAL 65 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1wrf s VAL 65 Cb -0.17 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.88 1wrf s VAL 65 CO -0.04 -0.49 0.00 -0.81 0.00 0.00 0.00 175.10 173.76 1wrf n PRO 66 N 6.74 2.14 -3.14 2.72 -0.04 -1.26 -4.56 135.00 137.60 1wrf n PRO 66 Ca 0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.31 1wrf n PRO 66 Cb 0.48 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.52 0.00 0.55 0.00 -1.26 -4.58 105.19 104.38 1wrf n GLY 67 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.52 0.00 -3.71 -0.61 -5.35 -1.26 -3.23 119.36 100.68 1wrf n ILE 68 Ca -0.09 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.01 1wrf n ILE 68 Cb 0.60 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.39 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 1.00 5.42 -0.32 7.28 -1.08 -1.26 -4.95 116.67 122.76 1wrf s ASP 69 Ca 0.00 -1.22 -0.03 0.00 -0.52 0.00 0.00 52.55 50.78 1wrf s ASP 69 Cb 0.00 -1.91 0.05 0.00 -1.46 0.00 0.00 42.92 39.60 1wrf s ASP 69 CO 0.00 -0.38 2.65 0.35 0.52 0.00 0.00 175.17 178.31 1wrf n THR 70 N 4.84 3.04 0.00 1.71 -2.24 -1.26 -3.03 114.28 117.34 1wrf n THR 70 Ca -0.12 -2.23 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 1wrf n THR 70 Cb 0.44 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 1.02 0.00 0.00 3.42 5.15 -1.25 -4.78 115.26 118.82 1wrf n ASN 71 Ca 0.40 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.42 1wrf n ASN 71 Cb 0.62 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 40.11 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 0.00 1.86 0.18 5.20 0.00 -0.86 -3.03 120.51 123.87 1wrf n ALA 72 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.48 1wrf n ALA 72 Cb 0.00 -1.14 0.45 0.00 0.00 0.00 0.00 19.45 18.76 1wrf n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrf n HIS 74 N -2.08 0.83 0.00 0.00 8.25 -1.17 -3.86 115.22 117.20 1wrf n HIS 74 Ca -0.00 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1wrf n HIS 74 Cb 0.06 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.30 1wrf n HIS 74 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wrf n PHE 75 N -2.21 0.00 -4.56 4.41 3.72 -0.31 -5.05 117.46 113.45 1wrf n PHE 75 Ca 0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.19 1wrf n PHE 75 Cb 0.43 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.33 1.83 -0.89 -4.37 -7.23 0.02 -4.59 120.40 103.83 1wrf s VAL 76 Ca 0.00 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 1wrf s VAL 76 Cb 0.00 -2.88 0.23 0.00 0.56 0.00 0.00 36.38 34.29 1wrf s VAL 76 CO 0.00 -0.04 0.83 -1.59 -0.31 0.00 0.00 175.10 173.99 1wrf s LYS 77 N -3.74 3.69 0.43 4.82 0.00 -1.26 -4.55 119.74 119.13 1wrf s LYS 77 Ca 0.35 -2.66 -0.07 0.00 0.00 0.00 0.00 55.97 53.59 1wrf s LYS 77 Cb 0.08 -4.42 -0.05 0.00 0.00 0.00 0.00 37.83 33.45 1wrf s LYS 77 CO 0.17 -1.27 0.75 0.00 0.00 0.00 0.00 175.35 174.99 1wrf s PRO 79 N -4.26 4.20 -0.18 0.00 0.04 -1.25 -5.04 135.00 128.51 1wrf s PRO 79 Ca 0.48 2.31 -0.29 0.00 0.04 0.00 0.00 61.00 63.54 1wrf s PRO 79 Cb -0.10 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.82 1wrf s PRO 79 CO 0.38 -0.72 1.52 -0.51 0.04 0.00 0.00 177.00 177.71 1wrf s LEU 80 N 2.59 4.05 0.17 -3.56 1.43 0.25 -4.77 118.68 118.84 1wrf s LEU 80 Ca 0.73 1.73 -0.26 0.00 -1.03 0.00 0.00 54.13 55.30 1wrf s LEU 80 Cb -0.39 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 1wrf s LEU 80 CO 0.32 -1.07 0.80 -0.69 0.23 0.00 0.00 176.35 175.94 1wrf s VAL 81 N 4.52 4.34 -0.34 -1.59 1.01 -1.26 -1.29 120.40 125.78 1wrf s VAL 81 Ca 0.67 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 64.13 1wrf s VAL 81 Cb -0.25 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1wrf s VAL 81 CO 0.26 0.52 1.90 -0.75 0.00 0.00 0.00 175.10 177.03 1wrf s LYS 82 N -1.12 3.18 0.00 2.72 2.20 -1.23 -1.87 119.74 123.62 1wrf s LYS 82 Ca 0.37 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 1wrf s LYS 82 Cb -0.23 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.82 1wrf s LYS 82 CO 0.27 -2.04 0.00 0.41 -0.36 0.00 0.00 175.35 173.63 1wrf n GLY 83 N 5.53 1.70 3.92 5.54 0.00 -0.18 -4.86 105.19 116.85 1wrf n GLY 83 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 3.51 -0.03 1.61 2.00 -0.78 -4.86 119.66 121.10 1wrf s GLN 84 Ca 0.00 -0.34 -0.01 0.00 -2.00 0.00 0.00 55.36 53.01 1wrf s GLN 84 Cb 0.00 -2.92 -0.04 0.00 0.80 0.00 0.00 33.01 30.85 1wrf s GLN 84 CO 0.00 0.50 0.06 -1.14 -0.50 0.00 0.00 175.29 174.21 1wrf s GLN 85 N -2.89 3.05 0.13 1.67 0.74 -1.26 -0.76 119.66 120.32 1wrf s GLN 85 Ca 0.37 -0.45 0.10 0.00 0.05 0.00 0.00 55.36 55.44 1wrf s GLN 85 Cb -0.12 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1wrf s GLN 85 CO 0.27 0.67 -0.26 0.71 -0.55 0.00 0.00 175.29 176.14 1wrf s TYR 86 N -1.10 2.20 -0.26 1.67 1.51 -0.66 -4.94 117.35 115.78 1wrf s TYR 86 Ca 0.20 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1wrf s TYR 86 Cb -0.12 -1.19 0.06 0.00 -0.11 0.00 0.00 41.96 40.60 1wrf s TYR 86 CO 0.10 0.31 -0.10 0.16 -1.11 0.00 0.00 175.55 174.91 1wrf s ASP 87 N -2.04 4.47 -0.23 2.29 -4.77 -1.26 -2.21 116.67 112.93 1wrf s ASP 87 Ca 0.13 -1.41 -0.07 0.00 -3.30 0.00 0.00 52.55 47.90 1wrf s ASP 87 Cb -0.10 -1.56 -0.03 0.00 -1.09 0.00 0.00 42.92 40.14 1wrf s ASP 87 CO 0.06 -0.20 0.05 -0.51 0.70 0.00 0.00 175.17 175.27 1wrf s ILE 88 N 1.10 4.28 -0.36 2.11 2.07 -1.21 -4.75 121.20 124.44 1wrf s ILE 88 Ca -0.09 -0.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.84 1wrf s ILE 88 Cb -0.20 -2.98 0.01 0.00 0.13 0.00 0.00 42.46 39.42 1wrf s ILE 88 CO -0.05 0.37 0.23 -0.75 -1.91 0.00 0.00 174.94 172.84 1wrf s LYS 89 N 1.34 3.15 -0.02 3.50 2.20 -1.26 -2.72 119.74 125.94 1wrf s LYS 89 Ca 0.05 -0.87 0.05 0.00 -0.36 0.00 0.00 55.97 54.83 1wrf s LYS 89 Cb -0.15 -3.80 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1wrf s LYS 89 CO 0.03 -0.59 -0.16 -0.47 -0.36 0.00 0.00 175.35 173.80 1wrf s TYR 90 N 1.65 1.46 -0.48 4.03 5.04 -1.21 -4.92 117.35 122.92 1wrf s TYR 90 Ca 0.05 -0.29 -0.19 0.00 -2.44 0.00 0.00 57.07 54.20 1wrf s TYR 90 Cb -0.18 -0.95 0.05 0.00 0.35 0.00 0.00 41.96 41.23 1wrf s TYR 90 CO 0.09 -0.04 0.58 0.95 -1.34 0.00 0.00 175.55 175.79 1wrf s THR 91 N -0.33 4.92 -0.88 4.34 -4.23 -1.26 -2.85 115.64 115.36 1wrf s THR 91 Ca 0.05 -0.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.90 1wrf s THR 91 Cb -0.07 -4.23 0.06 0.00 1.34 0.00 0.00 72.50 69.60 1wrf s THR 91 CO -0.00 -0.70 1.30 0.86 -0.54 0.00 0.00 174.62 175.53 1wrf s TRP 92 N 2.51 2.55 -0.32 3.99 -0.00 0.12 -4.89 118.94 122.89 1wrf s TRP 92 Ca 0.15 -0.63 -0.28 0.00 -0.00 0.00 0.00 56.10 55.34 1wrf s TRP 92 Cb -0.18 -4.58 -0.02 0.00 -0.00 0.00 0.00 33.47 28.69 1wrf s TRP 92 CO 0.13 -1.89 1.81 -0.80 -0.00 0.00 0.00 176.95 176.20 1wrf s ASN 93 N 4.26 5.88 0.46 5.86 -0.87 -1.20 -2.25 114.94 127.08 1wrf s ASN 93 Ca 0.38 1.32 -0.25 0.00 -1.57 0.00 0.00 52.86 52.74 1wrf s ASN 93 Cb -0.05 -2.53 -0.08 0.00 -0.02 0.00 0.00 41.25 38.57 1wrf s ASN 93 CO 0.00 -1.72 1.44 -0.69 -2.57 0.00 0.00 177.10 173.56 1wrf s VAL 94 N 6.93 2.02 -0.76 1.60 1.01 -1.25 -4.60 120.40 125.35 1wrf s VAL 94 Ca 0.80 0.02 0.15 0.00 0.00 0.00 0.00 61.98 62.95 1wrf s VAL 94 Cb -0.23 -3.01 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1wrf s VAL 94 CO 0.34 0.00 1.47 -0.81 0.00 0.00 0.00 175.10 176.10 1wrf n PRO 95 N -0.26 0.07 -0.25 2.72 -0.04 -1.26 -4.41 135.00 131.56 1wrf n PRO 95 Ca 0.05 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 1wrf n PRO 95 Cb 0.42 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1wrf n PRO 95 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1wrf n LYS 96 N -1.79 0.00 -0.03 0.54 0.00 -1.26 -4.74 118.16 110.88 1wrf n LYS 96 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.28 1wrf n LYS 96 Cb 0.14 -2.23 -0.13 0.00 0.00 0.00 0.00 35.03 32.81 1wrf n LYS 96 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1wrf n ILE 97 N -2.00 1.31 -1.05 3.15 -5.35 -1.26 -4.78 119.36 109.38 1wrf n ILE 97 Ca 0.00 -0.76 -0.42 0.00 -0.27 0.00 0.00 62.75 61.30 1wrf n ILE 97 Cb 0.00 -0.72 -0.07 0.00 -1.74 0.00 0.00 39.64 37.12 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 -2.54 -0.63 -2.05 -1.28 0.00 -1.26 -4.83 120.51 107.93 1wrf n ALA 98 Ca -0.18 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 1wrf n ALA 98 Cb 0.98 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 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 2.39 4.58 -0.89 0.00 0.04 -1.26 -4.85 135.00 135.01 1wrf s PRO 99 Ca 0.70 1.17 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1wrf s PRO 99 Cb -0.96 -3.28 -0.23 0.00 0.04 0.00 0.00 34.50 30.06 1wrf s PRO 99 CO 0.50 0.51 2.30 1.63 0.04 0.00 0.00 177.00 181.98 1wrf n LYS 100 N 1.82 0.30 -3.37 4.56 5.02 -1.26 -4.83 118.16 120.39 1wrf n LYS 100 Ca -0.05 -0.42 -0.38 0.00 -2.02 0.00 0.00 58.31 55.44 1wrf n LYS 100 Cb 0.49 -2.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.03 1wrf n LYS 100 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wrf s SER 101 N 5.83 6.42 0.30 4.39 0.15 -1.24 -4.95 113.70 124.60 1wrf s SER 101 Ca 1.12 0.49 0.02 0.00 0.70 0.00 0.00 55.95 58.29 1wrf s SER 101 Cb -0.49 -2.23 0.75 0.00 -1.71 0.00 0.00 66.02 62.33 1wrf s SER 101 CO 0.32 -0.11 1.61 -0.08 1.20 0.00 0.00 173.24 176.18 1wrf h GLU 102 N 7.52 0.10 -5.00 5.44 4.81 -1.88 -2.93 114.58 122.64 1wrf h GLU 102 Ca -0.35 -0.01 -0.43 0.00 -0.13 0.00 0.00 59.36 58.45 1wrf h GLU 102 Cb 1.16 -0.02 -0.28 0.00 0.63 0.00 0.00 28.75 30.24 1wrf h GLU 102 CO 0.71 0.06 -0.79 1.21 -0.73 0.00 0.00 179.01 179.47 1wrf s ASN 103 N -5.02 1.34 0.03 1.04 3.04 -1.26 -4.46 114.94 109.65 1wrf s ASN 103 Ca -0.12 -0.26 0.04 0.00 0.04 0.00 0.00 52.86 52.56 1wrf s ASN 103 Cb 0.27 -0.13 -0.02 0.00 -1.54 0.00 0.00 41.25 39.83 1wrf s ASN 103 CO 0.77 0.10 -0.12 -0.69 -3.04 0.00 0.00 177.10 174.12 1wrf s VAL 104 N -0.41 0.96 -0.19 -5.21 1.01 -0.28 -3.01 120.40 113.27 1wrf s VAL 104 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1wrf s VAL 104 Cb -0.05 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1wrf s VAL 104 CO -0.00 -0.02 -0.08 -0.69 0.00 0.00 0.00 175.10 174.31 1wrf s VAL 105 N -0.82 1.42 -0.07 2.92 1.01 -1.05 -3.64 120.40 120.18 1wrf s VAL 105 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1wrf s VAL 105 Cb -0.07 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1wrf s VAL 105 CO 0.01 0.14 0.31 -0.69 0.00 0.00 0.00 175.10 174.88 1wrf s VAL 106 N 1.49 5.22 -0.25 2.92 1.01 -1.24 -1.05 120.40 128.50 1wrf s VAL 106 Ca -0.01 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1wrf s VAL 106 Cb -0.16 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1wrf s VAL 106 CO -0.08 0.54 -0.10 -0.89 0.00 0.00 0.00 175.10 174.56 1wrf s THR 107 N -0.64 2.34 -0.19 3.92 2.01 0.31 -1.59 115.64 121.81 1wrf s THR 107 Ca 0.20 -1.42 -0.17 0.00 0.31 0.00 0.00 61.69 60.60 1wrf s THR 107 Cb -0.15 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1wrf s THR 107 CO 0.09 0.08 0.47 0.54 -0.69 0.00 0.00 174.62 175.10 1wrf s VAL 108 N 1.18 5.15 -0.03 3.82 0.11 -0.48 -1.86 120.40 128.28 1wrf s VAL 108 Ca -0.05 0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 59.85 1wrf s VAL 108 Cb -0.18 -3.80 0.03 0.00 -1.53 0.00 0.00 36.38 30.90 1wrf s VAL 108 CO -0.06 0.22 0.07 -0.75 -3.33 0.00 0.00 175.10 171.25 1wrf s LYS 109 N 1.40 0.01 -0.11 1.54 2.20 0.72 0.69 119.74 126.19 1wrf s LYS 109 Ca 0.22 0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 56.02 1wrf s LYS 109 Cb -0.15 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.94 1wrf s LYS 109 CO 0.09 -0.14 0.06 -0.51 -0.36 0.00 0.00 175.35 174.48 1wrf s LEU 110 N 0.95 3.88 -0.11 5.43 1.43 -0.77 0.92 118.68 130.40 1wrf s LEU 110 Ca -0.08 0.24 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1wrf s LEU 110 Cb -0.11 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1wrf s LEU 110 CO -0.03 0.35 -0.08 -0.63 0.23 0.00 0.00 176.35 176.19 1wrf s ILE 111 N -0.70 1.01 0.00 -0.59 1.09 -0.19 0.18 121.20 122.00 1wrf s ILE 111 Ca 0.12 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 1wrf s ILE 111 Cb -0.12 -1.03 0.00 0.00 -1.06 0.00 0.00 42.46 40.25 1wrf s ILE 111 CO 0.02 0.36 0.00 0.61 -0.10 0.00 0.00 174.94 175.84 1wrf n GLY 112 N 4.89 1.54 0.81 6.18 0.00 -0.12 -1.86 105.19 116.63 1wrf n GLY 112 Ca -0.13 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 2.69 -0.00 1.61 9.92 -1.25 -4.25 116.55 125.27 1wrf n ASP 113 Ca 0.00 -1.85 0.03 0.00 -0.53 0.00 0.00 54.79 52.44 1wrf n ASP 113 Cb 0.00 0.15 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 1wrf n ASP 113 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1wrf n ASN 114 N 0.91 0.44 0.00 -2.24 5.15 -1.26 -5.11 115.26 113.16 1wrf n ASN 114 Ca 0.13 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.50 1wrf n ASN 114 Cb 0.56 1.01 0.00 0.00 -0.53 0.00 0.00 39.78 40.82 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wrf n GLY 115 N 1.19 -0.45 3.51 8.20 0.00 -1.26 -5.07 105.19 111.31 1wrf n GLY 115 Ca 0.01 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 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 -4.00 4.83 0.24 1.61 1.01 -1.26 -0.95 120.40 121.89 1wrf s VAL 116 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1wrf s VAL 116 Cb 0.00 -4.21 0.21 0.00 0.00 0.00 0.00 36.38 32.38 1wrf s VAL 116 CO 0.00 -0.60 1.76 -0.07 0.00 0.00 0.00 175.10 176.18 1wrf h LEU 117 N 9.69 0.42 0.00 3.92 3.38 0.17 -3.46 115.31 129.42 1wrf h LEU 117 Ca -0.25 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1wrf h LEU 117 Cb 1.10 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wrf h LEU 117 CO 0.89 0.20 0.19 0.00 0.09 0.00 0.00 178.44 179.81 1wrf n ALA 118 N -2.45 -1.33 -3.52 1.53 0.00 -0.98 -4.19 120.51 109.58 1wrf n ALA 118 Ca 0.14 -1.07 -0.10 0.00 0.00 0.00 0.00 53.44 52.40 1wrf n ALA 118 Cb 0.37 0.86 -0.03 0.00 0.00 0.00 0.00 19.45 20.64 1wrf n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wrf s ALA 120 N -2.38 -1.05 -0.05 0.00 0.00 0.22 -3.33 121.76 115.16 1wrf s ALA 120 Ca 0.01 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1wrf s ALA 120 Cb -0.01 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1wrf s ALA 120 CO -0.04 -0.29 0.03 0.42 0.00 0.00 0.00 175.76 175.88 1wrf s ILE 121 N -1.24 0.10 -0.04 0.00 1.01 -1.01 -1.38 121.20 118.65 1wrf s ILE 121 Ca -0.12 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1wrf s ILE 121 Cb -0.04 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 1wrf s ILE 121 CO 0.06 0.21 0.29 0.00 0.00 0.00 0.00 174.94 175.50 1wrf s ALA 122 N 1.97 3.78 0.38 9.38 0.00 -0.62 -1.41 121.76 135.24 1wrf s ALA 122 Ca 0.03 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1wrf s ALA 122 Cb -0.12 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 1wrf s ALA 122 CO -0.04 0.56 0.05 0.95 0.00 0.00 0.00 175.76 177.28 1wrf s THR 123 N -1.11 1.36 -1.68 0.00 -4.23 -1.25 -3.71 115.64 105.03 1wrf s THR 123 Ca 0.21 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1wrf s THR 123 Cb -0.14 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1wrf s THR 123 CO 0.11 0.00 0.00 1.41 -0.54 0.00 0.00 174.62 175.60 1wrf n HIS 124 N -0.86 -0.88 -3.60 3.99 8.25 -1.26 -4.92 115.22 115.94 1wrf n HIS 124 Ca -0.05 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.20 1wrf n HIS 124 Cb 0.67 -3.74 -0.01 0.00 1.12 0.00 0.00 29.99 28.02 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 -2.16 1.43 -0.16 -1.41 0.00 -1.24 -3.63 107.32 100.15 1wrf s GLY 125 Ca 0.00 -1.30 -0.11 0.00 0.00 0.00 0.00 44.72 43.31 1wrf s GLY 125 CO 0.00 -1.24 0.40 0.54 0.00 0.00 0.00 173.10 172.80 1wrf s LYS 126 N -4.15 0.42 -0.08 2.90 1.02 -0.78 -1.12 119.74 117.95 1wrf s LYS 126 Ca 0.41 0.68 -0.07 0.00 0.02 0.00 0.00 55.97 57.01 1wrf s LYS 126 Cb -0.09 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 1wrf s LYS 126 CO 0.31 -0.12 0.18 0.42 -0.92 0.00 0.00 175.35 175.23 1wrf s ILE 127 N 0.90 5.44 0.37 2.17 1.01 -1.11 -1.82 121.20 128.16 1wrf s ILE 127 Ca -0.06 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.83 1wrf s ILE 127 Cb -0.06 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1wrf s ILE 127 CO -0.07 0.54 0.15 -0.13 0.00 0.00 0.00 174.94 175.44 1wrf s ARG 128 N -1.26 1.83 0.00 2.79 0.52 -0.65 -3.62 118.95 118.56 1wrf s ARG 128 Ca 0.19 -2.09 0.23 0.00 -0.52 0.00 0.00 55.73 53.53 1wrf s ARG 128 Cb -0.13 -0.38 0.18 0.00 0.52 0.00 0.00 34.95 35.14 1wrf s ARG 128 CO 0.08 -0.49 1.22 -3.47 0.02 0.00 0.00 175.30 172.67