#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 3.83 0.34 -1.24 -2.07 -1.26 -2.85 119.66 116.41 1wrf s GLN 2 Ca 0.00 1.13 0.07 0.00 -1.82 0.00 0.00 55.36 54.74 1wrf s GLN 2 Cb 0.00 -2.11 -0.03 0.00 -1.09 0.00 0.00 33.01 29.78 1wrf s GLN 2 CO 0.00 -0.38 0.30 0.14 -1.32 0.00 0.00 175.29 174.03 1wrf s VAL 3 N -2.37 3.45 -0.26 3.63 -7.23 -1.05 -3.98 120.40 112.59 1wrf s VAL 3 Ca 0.62 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 59.20 1wrf s VAL 3 Cb -0.12 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 1wrf s VAL 3 CO 0.27 -0.16 0.75 -0.62 -0.31 0.00 0.00 175.10 175.02 1wrf s ASP 4 N -4.01 6.69 0.07 4.85 -1.08 -1.26 -4.78 116.67 117.16 1wrf s ASP 4 Ca 0.41 0.81 -0.14 0.00 -0.52 0.00 0.00 52.55 53.12 1wrf s ASP 4 Cb -0.06 -2.39 0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1wrf s ASP 4 CO 0.27 -0.49 0.33 0.68 0.52 0.00 0.00 175.17 176.47 1wrf s VAL 5 N 2.75 0.09 -0.27 1.11 -7.23 -1.26 -4.23 120.40 111.35 1wrf s VAL 5 Ca 0.31 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1wrf s VAL 5 Cb -0.15 -1.07 0.07 0.00 0.56 0.00 0.00 36.38 35.79 1wrf s VAL 5 CO 0.09 -0.39 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.66 1wrf s LYS 6 N -3.08 2.13 -0.25 4.82 2.20 -0.67 -4.87 119.74 120.01 1wrf s LYS 6 Ca -0.01 -1.42 -0.35 0.00 -0.36 0.00 0.00 55.97 53.82 1wrf s LYS 6 Cb 0.01 -2.93 -0.12 0.00 -1.51 0.00 0.00 37.83 33.28 1wrf s LYS 6 CO -0.07 -0.62 2.03 -0.25 -0.36 0.00 0.00 175.35 176.07 1wrf n ASP 7 N 4.41 2.68 -0.36 1.43 8.00 -1.26 -2.45 116.55 128.99 1wrf n ASP 7 Ca -0.11 0.68 0.04 0.00 0.71 0.00 0.00 54.79 56.10 1wrf n ASP 7 Cb 0.42 -1.30 0.12 0.00 -0.02 0.00 0.00 41.12 40.34 1wrf n ASP 7 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wrf n ALA 9 N 0.06 0.00 0.00 0.00 0.00 -1.26 -4.90 120.51 114.41 1wrf n ALA 9 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1wrf n ALA 9 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.28 0.00 -0.45 0.00 4.13 -1.26 -4.90 115.26 110.51 1wrf n ASN 10 Ca -0.00 0.00 -0.06 0.00 1.68 0.00 0.00 54.58 56.20 1wrf n ASN 10 Cb 0.00 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.22 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 -5.15 0.13 6.41 2.85 -1.26 -4.88 115.26 113.36 1wrf n ASN 11 Ca 0.00 0.14 -0.05 0.00 -0.11 0.00 0.00 54.58 54.56 1wrf n ASN 11 Cb 0.00 -3.16 -0.02 0.00 1.24 0.00 0.00 39.78 37.84 1wrf n ASN 11 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1wrf h GLU 12 N 0.15 -0.32 -6.56 1.20 3.07 -1.91 -3.42 114.58 106.79 1wrf h GLU 12 Ca -0.12 0.02 -0.56 0.00 -0.50 0.00 0.00 59.36 58.20 1wrf h GLU 12 Cb 0.86 0.07 0.06 0.00 -0.84 0.00 0.00 28.75 28.90 1wrf h GLU 12 CO 0.17 -0.22 0.86 -0.89 -1.40 0.00 0.00 179.01 177.54 1wrf n ILE 13 N -3.03 0.06 0.66 3.13 2.08 -1.26 -3.31 119.36 117.68 1wrf n ILE 13 Ca -0.04 -0.01 0.12 0.00 0.56 0.00 0.00 62.75 63.38 1wrf n ILE 13 Cb 0.13 -1.68 0.21 0.00 -0.75 0.00 0.00 39.64 37.55 1wrf n ILE 13 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1wrf n LYS 14 N 3.50 0.23 0.00 0.38 4.76 -0.27 -4.93 118.16 121.84 1wrf n LYS 14 Ca 0.16 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1wrf n LYS 14 Cb 0.31 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1wrf n LYS 14 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1wrf n LYS 15 N -2.00 0.00 -4.70 1.97 4.81 -1.26 -5.00 118.16 111.98 1wrf n LYS 15 Ca 0.04 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.15 1wrf n LYS 15 Cb 0.42 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.31 1wrf n LYS 15 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1wrf s VAL 16 N 0.00 2.58 0.21 3.15 0.11 -1.26 -3.07 120.40 122.12 1wrf s VAL 16 Ca 0.00 -0.81 0.10 0.00 -2.93 0.00 0.00 61.98 58.34 1wrf s VAL 16 Cb 0.00 -2.07 -0.04 0.00 -1.53 0.00 0.00 36.38 32.74 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 0.65 1.45 0.07 1.54 -1.94 -0.92 -2.52 119.30 117.63 1wrf s MET 17 Ca -0.09 -1.55 0.07 0.00 -1.71 0.00 0.00 55.69 52.41 1wrf s MET 17 Cb -0.16 -1.56 -0.03 0.00 2.01 0.00 0.00 34.83 35.09 1wrf s MET 17 CO 0.02 0.31 -0.18 0.08 -0.01 0.00 0.00 175.02 175.25 1wrf s VAL 18 N -2.16 1.41 -1.24 -6.03 1.01 -1.13 -1.68 120.40 110.58 1wrf s VAL 18 Ca 0.21 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1wrf s VAL 18 Cb -0.06 -1.30 0.17 0.00 0.00 0.00 0.00 36.38 35.20 1wrf s VAL 18 CO 0.10 -0.06 1.63 -0.67 0.00 0.00 0.00 175.10 176.10 1wrf n ASP 19 N 1.39 5.18 0.00 3.32 -0.08 -1.22 -3.69 116.55 121.44 1wrf n ASP 19 Ca -0.19 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.04 1wrf n ASP 19 Cb 0.54 -1.53 0.00 0.00 2.34 0.00 0.00 41.12 42.47 1wrf n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wrf n GLY 20 N 3.49 -1.36 3.65 0.27 0.00 -1.26 -4.89 105.19 105.08 1wrf n GLY 20 Ca 0.38 0.52 -0.29 0.00 0.00 0.00 0.00 46.02 46.63 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 -4.26 0.00 0.00 0.00 -0.00 -1.26 -4.46 115.22 105.24 1wrf n HIS 22 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1wrf n HIS 22 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1wrf n HIS 22 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wrf n GLY 23 N 1.29 1.01 0.34 -1.41 0.00 -1.26 -4.59 105.19 100.57 1wrf n GLY 23 Ca 0.03 -0.86 0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 0.38 -3.62 1.61 0.87 -1.91 -3.39 113.55 107.49 1wrf h SER 24 Ca 0.00 0.23 -0.43 0.00 -1.23 0.00 0.00 61.79 60.36 1wrf h SER 24 Cb 0.00 0.21 0.18 0.00 -0.44 0.00 0.00 62.40 62.35 1wrf h SER 24 CO 0.00 -0.32 0.13 -1.81 -0.53 0.00 0.00 176.83 174.30 1wrf s ASP 25 N -4.64 1.59 0.51 6.23 1.11 -1.26 -4.93 116.67 115.28 1wrf s ASP 25 Ca -0.09 0.98 -0.18 0.00 0.18 0.00 0.00 52.55 53.44 1wrf s ASP 25 Cb 0.32 -1.50 -0.08 0.00 1.07 0.00 0.00 42.92 42.74 1wrf s ASP 25 CO 0.79 -3.75 1.00 -2.16 1.18 0.00 0.00 175.17 172.23 1wrf s PRO 26 N -5.08 3.84 -0.12 8.23 0.04 -1.26 -4.77 135.00 135.88 1wrf s PRO 26 Ca 0.68 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1wrf s PRO 26 Cb -0.16 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1wrf s PRO 26 CO 0.58 -0.37 -0.17 0.00 0.04 0.00 0.00 177.00 177.07 1wrf s ILE 28 N 0.34 4.32 -0.29 0.00 -1.09 -1.24 -0.66 121.20 122.59 1wrf s ILE 28 Ca -0.14 -1.55 -0.21 0.00 -2.23 0.00 0.00 60.65 56.51 1wrf s ILE 28 Cb -0.17 -3.73 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1wrf s ILE 28 CO 0.07 -0.64 0.69 -0.63 -1.23 0.00 0.00 174.94 173.20 1wrf s ILE 29 N 1.42 4.90 -0.60 2.92 1.09 -0.73 -4.81 121.20 125.40 1wrf s ILE 29 Ca 0.04 1.08 -0.22 0.00 -1.10 0.00 0.00 60.65 60.45 1wrf s ILE 29 Cb -0.25 -4.03 0.06 0.00 -1.06 0.00 0.00 42.46 37.18 1wrf s ILE 29 CO 0.01 -0.12 0.89 -1.00 -0.10 0.00 0.00 174.94 174.62 1wrf s HIS 30 N 2.69 2.79 0.21 3.97 3.76 -1.26 -1.72 115.29 125.73 1wrf s HIS 30 Ca 0.28 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.47 1wrf s HIS 30 Cb -0.15 -4.09 -0.16 0.00 1.11 0.00 0.00 32.58 29.29 1wrf s HIS 30 CO 0.11 -1.44 0.73 2.89 -0.85 0.00 0.00 174.74 176.17 1wrf n ARG 31 N 7.29 0.42 0.00 1.40 1.85 -1.19 -1.23 116.66 125.21 1wrf n ARG 31 Ca -0.03 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1wrf n ARG 31 Cb 0.46 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 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 1.77 1.78 3.84 2.89 0.00 -1.17 -4.80 105.19 109.51 1wrf n GLY 32 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.88 3.12 -0.39 1.61 -2.85 -0.36 -4.84 119.74 115.16 1wrf s LYS 33 Ca 0.00 -0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 54.06 1wrf s LYS 33 Cb 0.00 -2.85 0.02 0.00 -2.06 0.00 0.00 37.83 32.95 1wrf s LYS 33 CO 0.00 0.57 1.11 -1.25 0.10 0.00 0.00 175.35 175.88 1wrf s PRO 34 N -2.58 3.91 -0.26 1.78 0.04 -1.26 -1.83 135.00 134.80 1wrf s PRO 34 Ca 0.32 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.09 1wrf s PRO 34 Cb -0.12 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 1wrf s PRO 34 CO 0.25 -1.12 0.20 0.12 0.04 0.00 0.00 177.00 176.49 1wrf s PHE 35 N 4.03 3.26 -0.12 0.56 5.36 -0.56 -4.89 117.98 125.62 1wrf s PHE 35 Ca 0.47 0.20 -0.05 0.00 -0.96 0.00 0.00 56.93 56.59 1wrf s PHE 35 Cb -0.10 -2.36 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1wrf s PHE 35 CO 0.23 -0.08 0.08 0.99 -1.46 0.00 0.00 175.22 174.99 1wrf s THR 36 N 1.50 5.02 -0.03 0.12 2.01 -1.26 -0.43 115.64 122.58 1wrf s THR 36 Ca 0.08 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 1wrf s THR 36 Cb -0.15 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1wrf s THR 36 CO 0.08 0.60 0.04 -1.48 -0.69 0.00 0.00 174.62 173.17 1wrf s LEU 37 N -0.81 0.91 -0.21 4.42 -0.00 -1.15 -3.45 118.68 118.39 1wrf s LEU 37 Ca 0.13 0.06 -0.07 0.00 -0.00 0.00 0.00 54.13 54.25 1wrf s LEU 37 Cb -0.12 -0.05 -0.04 0.00 -0.00 0.00 0.00 46.19 45.98 1wrf s LEU 37 CO 0.03 -0.15 0.06 -0.70 -0.00 0.00 0.00 176.35 175.59 1wrf s GLU 38 N 1.25 3.83 -0.13 1.48 2.12 -0.67 -3.50 118.70 123.08 1wrf s GLU 38 Ca -0.07 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1wrf s GLU 38 Cb -0.13 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.05 1wrf s GLU 38 CO -0.03 0.10 -0.15 0.00 -0.54 0.00 0.00 175.26 174.64 1wrf s ALA 39 N 0.84 1.79 0.14 6.30 0.00 -1.10 -2.16 121.76 127.57 1wrf s ALA 39 Ca 0.03 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 51.01 1wrf s ALA 39 Cb -0.14 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 1wrf s ALA 39 CO 0.02 -0.22 0.57 -0.51 0.00 0.00 0.00 175.76 175.62 1wrf s LEU 40 N 1.22 4.37 -0.27 0.00 1.43 -1.17 -3.10 118.68 121.16 1wrf s LEU 40 Ca -0.01 1.15 -0.23 0.00 -1.03 0.00 0.00 54.13 54.00 1wrf s LEU 40 Cb -0.14 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.92 1wrf s LEU 40 CO -0.06 0.13 0.71 0.72 0.23 0.00 0.00 176.35 178.08 1wrf s PHE 41 N -1.41 -0.83 -0.38 0.29 -0.12 -0.86 -1.12 117.98 113.55 1wrf s PHE 41 Ca 0.37 1.95 -0.25 0.00 -0.05 0.00 0.00 56.93 58.95 1wrf s PHE 41 Cb -0.16 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1wrf s PHE 41 CO 0.19 -0.40 0.89 -0.51 -0.05 0.00 0.00 175.22 175.34 1wrf s ASP 42 N 0.58 6.62 -0.41 1.98 1.11 -1.21 -1.55 116.67 123.79 1wrf s ASP 42 Ca -0.02 0.44 -0.41 0.00 0.18 0.00 0.00 52.55 52.75 1wrf s ASP 42 Cb -0.05 -2.45 -0.16 0.00 1.07 0.00 0.00 42.92 41.33 1wrf s ASP 42 CO -0.02 -0.86 2.01 0.00 1.18 0.00 0.00 175.17 177.47 1wrf n ALA 43 N 6.76 0.18 1.83 5.23 0.00 0.37 -4.73 120.51 130.15 1wrf n ALA 43 Ca 0.06 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1wrf n ALA 43 Cb 0.48 -2.22 0.22 0.00 0.00 0.00 0.00 19.45 17.93 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 7.31 0.31 -3.60 0.00 0.23 -1.26 -1.76 115.26 116.48 1wrf n ASN 44 Ca 0.42 -1.79 -0.05 0.00 -0.53 0.00 0.00 54.58 52.63 1wrf n ASN 44 Cb 0.07 -0.03 -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 -1.94 0.70 -0.24 -3.83 -2.07 -1.26 -4.89 119.66 106.14 1wrf s GLN 45 Ca 0.14 -0.32 -0.18 0.00 -1.82 0.00 0.00 55.36 53.18 1wrf s GLN 45 Cb 0.07 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.24 1wrf s GLN 45 CO 0.10 -0.31 0.50 0.54 -1.32 0.00 0.00 175.29 174.80 1wrf s ASN 46 N -2.59 6.47 0.04 12.60 2.20 -1.25 -2.73 114.94 129.68 1wrf s ASN 46 Ca 0.09 0.56 -0.03 0.00 -0.94 0.00 0.00 52.86 52.55 1wrf s ASN 46 Cb -0.00 -2.28 -0.02 0.00 -2.00 0.00 0.00 41.25 36.95 1wrf s ASN 46 CO -0.05 -0.23 0.03 0.28 -2.94 0.00 0.00 177.10 174.19 1wrf s THR 47 N 2.01 0.16 -0.60 0.54 -1.32 -0.50 -4.77 115.64 111.15 1wrf s THR 47 Ca 0.22 -1.34 0.22 0.00 -1.21 0.00 0.00 61.69 59.58 1wrf s THR 47 Cb -0.15 -1.05 -0.16 0.00 -1.51 0.00 0.00 72.50 69.63 1wrf s THR 47 CO 0.09 -0.74 0.94 0.29 -2.21 0.00 0.00 174.62 172.99 1wrf n LYS 48 N 0.61 0.29 -3.83 7.08 4.76 -1.26 -1.26 118.16 124.54 1wrf n LYS 48 Ca -0.18 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.11 1wrf n LYS 48 Cb 0.59 -1.57 -0.14 0.00 -1.84 0.00 0.00 35.03 32.07 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 -3.20 -0.01 0.10 -0.18 -4.23 -1.26 -4.50 115.64 102.36 1wrf s THR 49 Ca 0.03 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 1wrf s THR 49 Cb 0.15 -0.09 -0.03 0.00 1.34 0.00 0.00 72.50 73.86 1wrf s THR 49 CO 0.82 0.02 -0.14 0.00 -0.54 0.00 0.00 174.62 174.78 1wrf s ALA 50 N 0.26 1.39 -0.00 3.99 0.00 -1.26 -3.85 121.76 122.29 1wrf s ALA 50 Ca -0.02 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1wrf s ALA 50 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 1wrf s ALA 50 CO -0.01 0.14 -0.08 0.15 0.00 0.00 0.00 175.76 175.96 1wrf s LYS 51 N -2.29 0.64 0.15 0.00 1.02 0.09 -0.29 119.74 119.06 1wrf s LYS 51 Ca 0.05 -0.30 -0.07 0.00 0.02 0.00 0.00 55.97 55.67 1wrf s LYS 51 Cb -0.07 -0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 36.57 1wrf s LYS 51 CO 0.03 0.17 0.41 -1.50 -0.92 0.00 0.00 175.35 173.54 1wrf s ILE 52 N -0.23 5.11 -0.12 2.17 2.07 -1.22 -0.70 121.20 128.28 1wrf s ILE 52 Ca 0.03 0.20 -0.03 0.00 -1.41 0.00 0.00 60.65 59.44 1wrf s ILE 52 Cb -0.03 -3.63 0.04 0.00 0.13 0.00 0.00 42.46 38.98 1wrf s ILE 52 CO -0.00 0.07 0.04 -1.61 -1.91 0.00 0.00 174.94 171.53 1wrf s GLU 53 N -2.54 0.35 -0.23 3.50 2.02 0.25 -4.71 118.70 117.34 1wrf s GLU 53 Ca 0.41 -0.02 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 1wrf s GLU 53 Cb -0.12 -1.38 0.01 0.00 0.10 0.00 0.00 34.13 32.74 1wrf s GLU 53 CO 0.23 -0.48 -0.06 0.42 0.02 0.00 0.00 175.26 175.38 1wrf s ILE 54 N 2.02 3.05 -0.09 -1.63 1.09 -1.22 -0.21 121.20 124.21 1wrf s ILE 54 Ca 0.03 -0.77 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1wrf s ILE 54 Cb -0.14 -2.45 -0.00 0.00 -1.06 0.00 0.00 42.46 38.80 1wrf s ILE 54 CO -0.06 0.33 -0.24 -0.54 -0.10 0.00 0.00 174.94 174.33 1wrf s LYS 55 N 1.40 2.96 -0.13 2.79 1.02 -0.77 -2.41 119.74 124.59 1wrf s LYS 55 Ca 0.03 -0.88 -0.04 0.00 0.02 0.00 0.00 55.97 55.11 1wrf s LYS 55 Cb -0.15 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1wrf s LYS 55 CO -0.05 0.23 -0.01 0.00 -0.92 0.00 0.00 175.35 174.60 1wrf s ALA 56 N 0.23 3.15 0.11 5.17 0.00 -1.09 -0.50 121.76 128.83 1wrf s ALA 56 Ca -0.15 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1wrf s ALA 56 Cb -0.17 -1.58 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1wrf s ALA 56 CO 0.08 0.34 0.28 0.45 0.00 0.00 0.00 175.76 176.91 1wrf s SER 57 N -0.06 6.39 -0.65 0.00 0.15 -0.05 -1.46 113.70 118.02 1wrf s SER 57 Ca 0.03 0.35 0.01 0.00 0.70 0.00 0.00 55.95 57.04 1wrf s SER 57 Cb -0.13 -1.99 0.39 0.00 -1.71 0.00 0.00 66.02 62.58 1wrf s SER 57 CO 0.02 0.10 1.61 0.18 1.20 0.00 0.00 173.24 176.35 1wrf n LEU 58 N -0.01 6.25 -2.03 3.45 4.77 0.04 -2.85 117.00 126.63 1wrf n LEU 58 Ca -0.05 -4.97 -0.05 0.00 -0.03 0.00 0.00 56.01 50.92 1wrf n LEU 58 Cb 0.52 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1wrf n LEU 58 CO 0.50 1.96 -0.05 -0.67 -1.33 0.00 0.00 177.39 177.80 1wrf n ASP 59 N -0.54 -1.80 0.00 -1.43 -0.08 -0.78 -3.29 116.55 108.64 1wrf n ASP 59 Ca 0.48 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 54.05 1wrf n ASP 59 Cb 0.46 -1.73 0.00 0.00 2.34 0.00 0.00 41.12 42.18 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 -0.44 -0.46 3.45 0.27 0.00 -1.26 -5.03 105.19 101.72 1wrf n GLY 60 Ca -0.05 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1wrf n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wrf s LEU 61 N 0.00 4.42 0.07 0.99 2.96 -1.21 -5.06 118.68 120.84 1wrf s LEU 61 Ca 0.00 -0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 52.99 1wrf s LEU 61 Cb 0.00 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 1wrf s LEU 61 CO 0.00 -0.27 0.90 -0.70 -1.32 0.00 0.00 176.35 174.96 1wrf s GLU 62 N 1.63 4.61 0.32 1.98 2.12 -1.26 -0.78 118.70 127.32 1wrf s GLU 62 Ca 0.04 1.31 0.05 0.00 0.36 0.00 0.00 54.97 56.73 1wrf s GLU 62 Cb -0.18 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.76 1wrf s GLU 62 CO 0.08 0.18 0.02 0.42 -0.54 0.00 0.00 175.26 175.42 1wrf s ILE 63 N 0.19 1.39 -0.03 -3.70 1.01 -0.54 -4.93 121.20 114.59 1wrf s ILE 63 Ca 0.45 -2.03 0.03 0.00 0.00 0.00 0.00 60.65 59.10 1wrf s ILE 63 Cb -0.22 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1wrf s ILE 63 CO 0.27 -0.08 -0.09 -1.81 0.00 0.00 0.00 174.94 173.23 1wrf s ASP 64 N -3.50 4.44 -0.40 3.58 1.01 -1.26 -2.67 116.67 117.86 1wrf s ASP 64 Ca 0.35 -0.13 -0.08 0.00 0.71 0.00 0.00 52.55 53.40 1wrf s ASP 64 Cb 0.08 -1.02 0.07 0.00 1.01 0.00 0.00 42.92 43.06 1wrf s ASP 64 CO 0.15 0.32 0.21 -0.69 0.21 0.00 0.00 175.17 175.37 1wrf s VAL 65 N -0.87 3.98 0.00 -1.27 1.01 -1.01 -4.85 120.40 117.40 1wrf s VAL 65 Ca 0.14 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.69 1wrf s VAL 65 Cb -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wrf s VAL 65 CO 0.04 -0.45 0.00 -0.81 0.00 0.00 0.00 175.10 173.87 1wrf n PRO 66 N 4.85 1.84 -1.45 2.72 -0.04 -1.26 -4.49 135.00 137.16 1wrf n PRO 66 Ca -0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 1wrf n PRO 66 Cb 0.43 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.82 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 1.50 0.00 0.55 0.00 -1.26 -4.83 105.19 106.15 1wrf n GLY 67 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.31 0.00 -3.40 -0.61 -5.35 -1.26 -4.15 119.36 102.27 1wrf n ILE 68 Ca -0.16 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 61.89 1wrf n ILE 68 Cb 0.63 -0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.87 6.14 -0.27 7.28 2.15 -1.26 -4.94 116.67 124.90 1wrf s ASP 69 Ca 0.00 -0.84 -0.04 0.00 0.43 0.00 0.00 52.55 52.10 1wrf s ASP 69 Cb 0.00 -2.18 -0.01 0.00 -0.30 0.00 0.00 42.92 40.43 1wrf s ASP 69 CO 0.00 -0.51 2.82 0.35 -0.17 0.00 0.00 175.17 177.66 1wrf n THR 70 N 5.26 3.04 0.00 1.71 -2.24 -1.26 -3.46 114.28 117.33 1wrf n THR 70 Ca -0.10 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.52 1wrf n THR 70 Cb 0.47 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 1.28 0.00 0.00 3.42 2.85 -1.25 -4.78 115.26 116.78 1wrf n ASN 71 Ca 0.40 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.92 1wrf n ASN 71 Cb 0.65 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.90 1wrf n ASN 71 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wrf n ALA 72 N 0.00 1.60 0.24 5.20 0.00 0.60 -2.57 120.51 125.58 1wrf n ALA 72 Ca 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1wrf n ALA 72 Cb 0.00 -1.15 0.32 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.86 -3.29 115.15 113.86 1wrf h HIS 74 Ca 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1wrf h HIS 74 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1wrf h HIS 74 CO 0.00 0.25 -1.57 1.19 0.86 0.00 0.00 177.93 178.66 1wrf n PHE 75 N -3.26 0.00 -4.02 2.45 3.72 -0.48 -5.00 117.46 110.87 1wrf n PHE 75 Ca 0.02 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1wrf n PHE 75 Cb 0.54 -0.35 -0.05 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 -2.51 3.78 -0.83 -4.37 -7.23 -0.33 -4.69 120.40 104.22 1wrf s VAL 76 Ca -0.04 -1.49 -0.20 0.00 -1.81 0.00 0.00 61.98 58.43 1wrf s VAL 76 Cb 0.05 -3.19 0.10 0.00 0.56 0.00 0.00 36.38 33.90 1wrf s VAL 76 CO 0.43 -0.26 1.08 -1.59 -0.31 0.00 0.00 175.10 174.44 1wrf s LYS 77 N -3.88 3.41 0.34 4.82 0.00 -1.26 -4.55 119.74 118.62 1wrf s LYS 77 Ca 0.36 -1.38 -0.09 0.00 0.00 0.00 0.00 55.97 54.87 1wrf s LYS 77 Cb -0.06 -4.68 -0.06 0.00 0.00 0.00 0.00 37.83 33.02 1wrf s LYS 77 CO 0.25 -1.81 0.66 0.00 0.00 0.00 0.00 175.35 174.45 1wrf s PRO 79 N -3.57 4.40 -0.25 0.00 0.04 -1.26 -5.07 135.00 129.29 1wrf s PRO 79 Ca 0.48 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 1wrf s PRO 79 Cb -0.11 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.24 1wrf s PRO 79 CO 0.29 -0.22 1.26 -0.51 0.04 0.00 0.00 177.00 177.85 1wrf s LEU 80 N -0.22 3.99 0.03 -3.56 1.43 -0.39 -4.81 118.68 115.14 1wrf s LEU 80 Ca 0.56 1.36 -0.20 0.00 -1.03 0.00 0.00 54.13 54.82 1wrf s LEU 80 Cb -0.36 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.26 1wrf s LEU 80 CO 0.39 -0.94 0.58 -0.69 0.23 0.00 0.00 176.35 175.92 1wrf s VAL 81 N 3.99 4.84 -0.04 -1.59 1.01 -1.26 -1.41 120.40 125.94 1wrf s VAL 81 Ca 0.54 1.23 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 1wrf s VAL 81 Cb -0.18 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 1wrf s VAL 81 CO 0.19 0.47 1.98 1.17 0.00 0.00 0.00 175.10 178.91 1wrf n LYS 82 N 2.33 2.51 0.00 2.72 4.81 -1.11 -1.68 118.16 127.74 1wrf n LYS 82 Ca -0.08 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1wrf n LYS 82 Cb 0.51 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1wrf n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wrf n GLY 83 N 4.71 1.86 3.89 3.14 0.00 -0.72 -4.90 105.19 113.17 1wrf n GLY 83 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.12 3.22 0.08 1.61 2.00 -0.67 -4.90 119.66 120.86 1wrf s GLN 84 Ca 0.00 -0.77 0.05 0.00 -2.00 0.00 0.00 55.36 52.63 1wrf s GLN 84 Cb 0.00 -2.80 -0.04 0.00 0.80 0.00 0.00 33.01 30.97 1wrf s GLN 84 CO 0.00 0.48 -0.01 -1.14 -0.50 0.00 0.00 175.29 174.11 1wrf s GLN 85 N -3.44 2.52 0.06 1.67 0.74 -1.26 -0.48 119.66 119.48 1wrf s GLN 85 Ca 0.33 -0.84 0.05 0.00 0.05 0.00 0.00 55.36 54.95 1wrf s GLN 85 Cb -0.10 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.46 1wrf s GLN 85 CO 0.27 0.55 -0.13 0.71 -0.55 0.00 0.00 175.29 176.13 1wrf s TYR 86 N -1.27 1.13 -0.24 1.67 1.51 -0.59 -4.92 117.35 114.64 1wrf s TYR 86 Ca 0.24 -0.46 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1wrf s TYR 86 Cb -0.12 -0.64 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1wrf s TYR 86 CO 0.17 0.03 -0.10 0.16 -1.11 0.00 0.00 175.55 174.70 1wrf s ASP 87 N -1.66 4.08 -0.24 2.29 1.47 -1.26 -2.02 116.67 119.32 1wrf s ASP 87 Ca -0.03 -0.95 -0.07 0.00 1.18 0.00 0.00 52.55 52.68 1wrf s ASP 87 Cb -0.10 -1.60 -0.03 0.00 -0.34 0.00 0.00 42.92 40.86 1wrf s ASP 87 CO 0.02 -0.11 0.06 -0.51 0.68 0.00 0.00 175.17 175.30 1wrf s ILE 88 N 1.26 4.24 -0.49 2.11 2.07 -1.18 -4.58 121.20 124.64 1wrf s ILE 88 Ca -0.01 -0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 58.90 1wrf s ILE 88 Cb -0.17 -2.97 0.11 0.00 0.13 0.00 0.00 42.46 39.56 1wrf s ILE 88 CO -0.07 0.36 0.40 -0.75 -1.91 0.00 0.00 174.94 172.97 1wrf s LYS 89 N 1.51 2.77 -0.03 3.50 2.20 -1.26 -2.69 119.74 125.75 1wrf s LYS 89 Ca 0.06 -1.63 0.07 0.00 -0.36 0.00 0.00 55.97 54.10 1wrf s LYS 89 Cb -0.15 -4.08 -0.02 0.00 -1.51 0.00 0.00 37.83 32.07 1wrf s LYS 89 CO 0.03 -1.18 -0.23 -0.47 -0.36 0.00 0.00 175.35 173.14 1wrf s TYR 90 N 1.51 2.43 -0.48 4.03 5.04 -1.23 -4.92 117.35 123.72 1wrf s TYR 90 Ca 0.04 -0.36 -0.21 0.00 -2.44 0.00 0.00 57.07 54.10 1wrf s TYR 90 Cb -0.27 -1.53 0.04 0.00 0.35 0.00 0.00 41.96 40.55 1wrf s TYR 90 CO 0.02 0.03 0.69 0.95 -1.34 0.00 0.00 175.55 175.90 1wrf s THR 91 N -0.65 4.77 -0.86 4.34 -4.23 -1.26 -2.91 115.64 114.83 1wrf s THR 91 Ca 0.10 -0.08 -0.22 0.00 -1.18 0.00 0.00 61.69 60.32 1wrf s THR 91 Cb -0.10 -4.29 0.08 0.00 1.34 0.00 0.00 72.50 69.52 1wrf s THR 91 CO -0.00 -0.76 1.20 0.86 -0.54 0.00 0.00 174.62 175.38 1wrf s TRP 92 N 2.94 2.72 -0.27 3.99 -0.00 0.43 -4.82 118.94 123.93 1wrf s TRP 92 Ca 0.21 -0.83 -0.28 0.00 -0.00 0.00 0.00 56.10 55.20 1wrf s TRP 92 Cb -0.16 -4.45 -0.05 0.00 -0.00 0.00 0.00 33.47 28.81 1wrf s TRP 92 CO 0.17 -1.74 2.17 1.21 -0.00 0.00 0.00 176.95 178.75 1wrf s ASN 93 N 4.04 5.41 0.36 5.86 2.47 -1.26 -1.50 114.94 130.32 1wrf s ASN 93 Ca 0.34 1.69 -0.28 0.00 0.42 0.00 0.00 52.86 55.03 1wrf s ASN 93 Cb -0.07 -2.51 -0.10 0.00 -1.45 0.00 0.00 41.25 37.12 1wrf s ASN 93 CO -0.01 -2.03 1.37 -0.69 -3.72 0.00 0.00 177.10 172.02 1wrf s VAL 94 N 8.52 2.46 0.28 -5.21 1.01 -0.76 -4.76 120.40 121.94 1wrf s VAL 94 Ca 0.97 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.11 1wrf s VAL 94 Cb -0.29 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 1wrf s VAL 94 CO 0.34 0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.46 1wrf s PRO 95 N -1.97 4.65 0.00 2.72 0.04 -1.26 -3.07 135.00 136.11 1wrf s PRO 95 Ca 0.52 1.76 0.15 0.00 0.04 0.00 0.00 61.00 63.47 1wrf s PRO 95 Cb -0.42 -3.18 0.91 0.00 0.04 0.00 0.00 34.50 31.85 1wrf s PRO 95 CO 0.56 0.24 1.50 1.63 0.04 0.00 0.00 177.00 180.96 1wrf n LYS 96 N 1.18 0.87 -0.02 4.56 4.76 -1.26 -2.96 118.16 125.29 1wrf n LYS 96 Ca -0.01 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.38 1wrf n LYS 96 Cb 0.45 -1.27 -0.13 0.00 -1.84 0.00 0.00 35.03 32.24 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 -0.77 1.33 -1.50 -0.18 -5.35 -1.26 -4.84 119.36 106.78 1wrf n ILE 97 Ca 0.11 -0.76 -0.63 0.00 -0.27 0.00 0.00 62.75 61.20 1wrf n ILE 97 Cb 0.05 -0.75 -0.11 0.00 -1.74 0.00 0.00 39.64 37.10 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 -2.53 -0.67 -1.96 -1.28 0.00 -1.16 -4.85 120.51 108.07 1wrf n ALA 98 Ca -0.17 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 1wrf n ALA 98 Cb 0.98 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 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 4.19 4.64 -0.88 0.00 0.04 -1.26 -4.77 135.00 136.96 1wrf s PRO 99 Ca 1.09 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1wrf s PRO 99 Cb -1.47 -3.27 -0.23 0.00 0.04 0.00 0.00 34.50 29.56 1wrf s PRO 99 CO 0.74 0.53 2.30 1.63 0.04 0.00 0.00 177.00 182.24 1wrf n LYS 100 N 1.67 0.30 -3.42 4.56 5.02 -1.26 -4.82 118.16 120.21 1wrf n LYS 100 Ca -0.04 -0.43 -0.39 0.00 -2.02 0.00 0.00 58.31 55.43 1wrf n LYS 100 Cb 0.48 -2.41 -0.09 0.00 -0.02 0.00 0.00 35.03 32.99 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 5.89 6.23 0.29 4.39 0.15 -1.19 -4.93 113.70 124.54 1wrf s SER 101 Ca 1.12 0.26 -0.02 0.00 0.70 0.00 0.00 55.95 58.02 1wrf s SER 101 Cb -0.49 -2.20 0.65 0.00 -1.71 0.00 0.00 66.02 62.27 1wrf s SER 101 CO 0.32 -0.15 1.58 1.05 1.20 0.00 0.00 173.24 177.23 1wrf h GLU 102 N 8.13 0.02 -4.56 5.44 4.11 -1.88 -2.44 114.58 123.40 1wrf h GLU 102 Ca -0.32 -0.00 -0.45 0.00 0.07 0.00 0.00 59.36 58.66 1wrf h GLU 102 Cb 1.17 -0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.10 1wrf h GLU 102 CO 0.64 0.01 -0.79 1.21 0.07 0.00 0.00 179.01 180.15 1wrf s ASN 103 N -5.09 1.32 0.08 3.06 2.47 -1.26 -4.37 114.94 111.15 1wrf s ASN 103 Ca -0.13 -0.21 0.06 0.00 0.42 0.00 0.00 52.86 53.00 1wrf s ASN 103 Cb 0.28 -0.43 -0.03 0.00 -1.45 0.00 0.00 41.25 39.62 1wrf s ASN 103 CO 0.78 0.05 -0.15 -0.69 -3.72 0.00 0.00 177.10 173.37 1wrf s VAL 104 N 0.34 1.23 -0.14 -5.21 1.01 -0.34 -1.86 120.40 115.43 1wrf s VAL 104 Ca -0.06 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1wrf s VAL 104 Cb -0.11 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.10 1wrf s VAL 104 CO 0.01 -0.22 -0.11 -0.69 0.00 0.00 0.00 175.10 174.09 1wrf s VAL 105 N -1.36 1.35 -0.07 2.92 1.01 -1.13 -3.69 120.40 119.42 1wrf s VAL 105 Ca 0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1wrf s VAL 105 Cb -0.09 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1wrf s VAL 105 CO 0.03 0.37 0.28 -0.69 0.00 0.00 0.00 175.10 175.08 1wrf s VAL 106 N 1.57 5.27 -0.21 2.92 1.01 -1.25 -0.87 120.40 128.83 1wrf s VAL 106 Ca 0.04 0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.57 1wrf s VAL 106 Cb -0.13 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.72 1wrf s VAL 106 CO -0.09 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 1wrf s THR 107 N -0.89 2.06 -0.19 3.92 2.01 0.35 -1.77 115.64 121.13 1wrf s THR 107 Ca 0.19 -1.21 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 1wrf s THR 107 Cb -0.14 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1wrf s THR 107 CO 0.08 0.29 0.32 0.54 -0.69 0.00 0.00 174.62 175.16 1wrf s VAL 108 N 1.23 5.27 -0.03 3.82 0.11 -0.31 -1.85 120.40 128.64 1wrf s VAL 108 Ca -0.01 0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1wrf s VAL 108 Cb -0.16 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1wrf s VAL 108 CO -0.09 0.33 0.00 -0.75 -3.33 0.00 0.00 175.10 171.25 1wrf s LYS 109 N 0.90 0.28 -0.11 1.54 2.20 0.71 0.10 119.74 125.36 1wrf s LYS 109 Ca 0.16 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.81 1wrf s LYS 109 Cb -0.14 -0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 35.68 1wrf s LYS 109 CO 0.06 -0.14 0.06 -0.51 -0.36 0.00 0.00 175.35 174.45 1wrf s LEU 110 N 1.03 3.88 -0.12 5.43 1.43 -1.12 0.84 118.68 130.05 1wrf s LEU 110 Ca -0.10 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1wrf s LEU 110 Cb -0.13 -1.92 0.04 0.00 0.03 0.00 0.00 46.19 44.20 1wrf s LEU 110 CO -0.02 0.36 -0.01 -0.63 0.23 0.00 0.00 176.35 176.28 1wrf s ILE 111 N -0.73 0.59 0.00 -0.59 1.09 0.12 0.20 121.20 121.89 1wrf s ILE 111 Ca 0.12 -0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.48 1wrf s ILE 111 Cb -0.12 -0.82 0.00 0.00 -1.06 0.00 0.00 42.46 40.47 1wrf s ILE 111 CO 0.03 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.62 1wrf n GLY 112 N 5.06 0.68 0.11 6.18 0.00 -0.59 -0.73 105.19 115.91 1wrf n GLY 112 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 1.07 -0.15 1.61 8.00 -1.25 -4.57 116.55 121.26 1wrf n ASP 113 Ca 0.00 -1.03 0.03 0.00 0.71 0.00 0.00 54.79 54.49 1wrf n ASP 113 Cb 0.00 0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.05 1.04 0.00 -2.24 3.02 -1.26 -5.10 115.26 110.67 1wrf n ASN 114 Ca 0.02 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1wrf n ASN 114 Cb 0.08 0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1wrf n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wrf n GLY 115 N 0.61 0.01 3.53 7.41 0.00 -1.26 -5.05 105.19 110.44 1wrf n GLY 115 Ca 0.02 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 4.74 0.30 1.61 1.01 -1.26 -1.55 120.40 121.25 1wrf s VAL 116 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1wrf s VAL 116 Cb 0.00 -4.26 0.29 0.00 0.00 0.00 0.00 36.38 32.41 1wrf s VAL 116 CO 0.00 -0.65 1.83 -0.07 0.00 0.00 0.00 175.10 176.21 1wrf h LEU 117 N 9.91 0.86 0.00 3.92 3.38 0.20 -3.46 115.31 130.12 1wrf h LEU 117 Ca -0.25 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wrf h LEU 117 Cb 1.09 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1wrf h LEU 117 CO 0.93 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.88 1wrf n ALA 118 N -2.36 0.00 -3.60 1.53 0.00 -0.99 -4.24 120.51 110.86 1wrf n ALA 118 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1wrf n ALA 118 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.90 -1.25 -0.09 0.00 0.00 0.29 -3.18 121.76 115.62 1wrf s ALA 120 Ca 0.07 1.29 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 1wrf s ALA 120 Cb -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1wrf s ALA 120 CO -0.05 -0.25 -0.01 0.42 0.00 0.00 0.00 175.76 175.87 1wrf s ILE 121 N -0.06 0.54 0.04 0.00 1.01 -1.03 -1.16 121.20 120.54 1wrf s ILE 121 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 1wrf s ILE 121 Cb -0.03 -0.70 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 1wrf s ILE 121 CO 0.02 0.23 0.39 0.00 0.00 0.00 0.00 174.94 175.58 1wrf s ALA 122 N 1.90 3.72 0.00 9.38 0.00 -0.73 -1.67 121.76 134.36 1wrf s ALA 122 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1wrf s ALA 122 Cb -0.13 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1wrf s ALA 122 CO -0.06 0.53 0.00 0.25 0.00 0.00 0.00 175.76 176.48 1wrf n THR 123 N 1.34 0.00 -1.58 0.00 -2.24 -1.26 -4.14 114.28 106.40 1wrf n THR 123 Ca -0.11 0.00 -0.55 0.00 -2.27 0.00 0.00 64.05 61.12 1wrf n THR 123 Cb 0.52 -0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 1wrf n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1wrf n HIS 124 N -0.42 1.86 -3.53 4.78 8.25 -1.26 -4.69 115.22 120.21 1wrf n HIS 124 Ca 0.00 0.41 -0.18 0.00 -0.26 0.00 0.00 57.72 57.69 1wrf n HIS 124 Cb 0.00 -2.49 -0.06 0.00 1.12 0.00 0.00 29.99 28.56 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 5.11 -0.56 -0.18 -1.41 0.00 -1.24 -4.25 107.32 104.78 1wrf s GLY 125 Ca 1.03 1.30 -0.13 0.00 0.00 0.00 0.00 44.72 46.91 1wrf s GLY 125 CO 0.59 0.94 0.45 0.54 0.00 0.00 0.00 173.10 175.62 1wrf s LYS 126 N -1.17 0.49 -0.07 2.90 1.02 0.17 -1.20 119.74 121.89 1wrf s LYS 126 Ca -0.11 0.72 -0.01 0.00 0.02 0.00 0.00 55.97 56.59 1wrf s LYS 126 Cb -0.00 0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 1wrf s LYS 126 CO 0.10 -0.10 0.01 0.42 -0.92 0.00 0.00 175.35 174.85 1wrf s ILE 127 N 0.72 4.32 0.39 2.17 1.01 -0.92 -1.77 121.20 127.12 1wrf s ILE 127 Ca -0.04 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1wrf s ILE 127 Cb -0.05 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1wrf s ILE 127 CO -0.05 0.55 0.14 -0.13 0.00 0.00 0.00 174.94 175.45 1wrf s ARG 128 N -1.06 1.87 0.00 2.79 0.52 -0.70 -3.16 118.95 119.21 1wrf s ARG 128 Ca 0.15 -2.13 0.21 0.00 -0.52 0.00 0.00 55.73 53.45 1wrf s ARG 128 Cb -0.11 -0.51 0.17 0.00 0.52 0.00 0.00 34.95 35.02 1wrf s ARG 128 CO 0.04 -0.47 1.17 -3.47 0.02 0.00 0.00 175.30 172.59