#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 4.47 0.40 -1.24 -0.44 -1.26 -2.48 119.66 119.11 1wrf s GLN 2 Ca 0.00 1.93 0.08 0.00 -2.50 0.00 0.00 55.36 54.87 1wrf s GLN 2 Cb 0.00 -3.22 -0.02 0.00 -1.64 0.00 0.00 33.01 28.13 1wrf s GLN 2 CO 0.00 -0.12 0.40 0.14 0.50 0.00 0.00 175.29 176.21 1wrf s VAL 3 N -0.10 2.90 -0.12 1.34 -7.23 -1.23 -4.20 120.40 111.76 1wrf s VAL 3 Ca 0.53 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 1wrf s VAL 3 Cb -0.34 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.54 1wrf s VAL 3 CO 0.38 -0.03 1.21 -0.62 -0.31 0.00 0.00 175.10 175.73 1wrf s ASP 4 N -4.14 7.01 0.08 4.85 2.15 -1.23 -4.87 116.67 120.52 1wrf s ASP 4 Ca 0.48 1.73 -0.13 0.00 0.43 0.00 0.00 52.55 55.05 1wrf s ASP 4 Cb -0.05 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1wrf s ASP 4 CO 0.29 -0.66 0.31 -0.69 -0.17 0.00 0.00 175.17 174.24 1wrf s VAL 5 N 2.82 0.09 -0.28 1.11 1.01 -1.26 -4.58 120.40 119.32 1wrf s VAL 5 Ca 0.54 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1wrf s VAL 5 Cb -0.23 -1.09 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1wrf s VAL 5 CO 0.18 -0.42 -0.06 -0.75 0.00 0.00 0.00 175.10 174.05 1wrf s LYS 6 N -3.18 2.35 0.67 2.72 2.47 -0.64 -4.90 119.74 119.22 1wrf s LYS 6 Ca -0.01 -1.29 -0.17 0.00 -1.56 0.00 0.00 55.97 52.94 1wrf s LYS 6 Cb 0.01 -3.02 -0.06 0.00 -1.46 0.00 0.00 37.83 33.30 1wrf s LYS 6 CO -0.07 -0.58 0.46 -0.25 0.16 0.00 0.00 175.35 175.06 1wrf n ASP 7 N 4.53 -1.40 -0.78 1.43 9.92 -1.26 -2.23 116.55 126.76 1wrf n ASP 7 Ca -0.14 0.63 0.05 0.00 -0.53 0.00 0.00 54.79 54.81 1wrf n ASP 7 Cb 0.43 -1.17 0.12 0.00 -0.64 0.00 0.00 41.12 39.85 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 -0.54 1.90 0.00 0.00 0.00 -1.26 -4.82 120.51 115.79 1wrf n ALA 9 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1wrf n ALA 9 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 -1.58 0.00 -3.21 0.00 4.13 -1.26 -4.93 115.26 108.41 1wrf n ASN 10 Ca 0.00 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 1wrf n ASN 10 Cb 0.00 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1wrf n ASN 10 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1wrf n ASN 11 N 0.00 -5.04 0.00 6.41 4.13 -1.26 -4.91 115.26 114.59 1wrf n ASN 11 Ca 0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1wrf n ASN 11 Cb 0.00 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.14 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 -3.95 0.00 -1.61 3.52 4.71 -1.26 -4.85 120.64 117.20 1wrf n GLU 12 Ca -0.06 0.03 -0.55 0.00 -0.01 0.00 0.00 57.16 56.56 1wrf n GLU 12 Cb 0.58 -0.36 -0.07 0.00 -1.01 0.00 0.00 31.44 30.59 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 -0.97 0.06 0.16 -3.67 5.41 -1.26 -3.83 119.36 115.26 1wrf n ILE 13 Ca 0.00 -0.01 0.04 0.00 1.00 0.00 0.00 62.75 63.78 1wrf n ILE 13 Cb 0.00 -0.74 0.13 0.00 -0.71 0.00 0.00 39.64 38.32 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 4.82 0.00 0.00 0.38 1.79 -1.48 -3.47 116.57 118.61 1wrf h LYS 14 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1wrf h LYS 14 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1wrf h LYS 14 CO 0.80 0.44 0.00 0.36 -1.08 0.00 0.00 179.45 179.97 1wrf n LYS 15 N -3.29 0.00 -4.01 3.15 2.85 -1.26 -5.03 118.16 110.57 1wrf n LYS 15 Ca 0.01 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.93 1wrf n LYS 15 Cb 0.66 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.90 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 0.00 3.39 0.11 0.58 0.11 -1.26 -3.42 120.40 119.91 1wrf s VAL 16 Ca 0.00 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1wrf s VAL 16 Cb 0.00 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 1wrf s VAL 16 CO 0.00 0.44 -0.03 -0.04 -3.33 0.00 0.00 175.10 172.13 1wrf s MET 17 N 1.31 2.38 0.27 1.54 -1.94 -0.81 -3.54 119.30 118.51 1wrf s MET 17 Ca 0.04 -0.95 0.12 0.00 -1.71 0.00 0.00 55.69 53.19 1wrf s MET 17 Cb -0.14 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.22 1wrf s MET 17 CO -0.02 0.51 -0.18 0.08 -0.01 0.00 0.00 175.02 175.41 1wrf s VAL 18 N -1.35 2.61 -0.96 -6.03 1.01 -1.04 -1.69 120.40 112.95 1wrf s VAL 18 Ca 0.25 -2.30 -0.01 0.00 0.00 0.00 0.00 61.98 59.91 1wrf s VAL 18 Cb -0.11 -2.36 0.30 0.00 0.00 0.00 0.00 36.38 34.21 1wrf s VAL 18 CO 0.17 -0.37 1.32 -0.67 0.00 0.00 0.00 175.10 175.56 1wrf n ASP 19 N -0.57 5.84 0.00 3.32 -0.08 -1.12 -3.07 116.55 120.86 1wrf n ASP 19 Ca -0.06 -3.45 0.00 0.00 -1.51 0.00 0.00 54.79 49.77 1wrf n ASP 19 Cb 0.59 -1.11 0.00 0.00 2.34 0.00 0.00 41.12 42.95 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 1.08 0.61 3.83 0.27 0.00 -1.26 -4.85 105.19 104.87 1wrf n GLY 20 Ca 0.28 0.02 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.79 -2.83 0.00 0.00 8.25 -1.26 -4.73 115.22 113.86 1wrf n HIS 22 Ca 0.06 -1.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.13 1wrf n HIS 22 Cb 0.54 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.43 -2.30 0.31 -1.41 0.00 -1.26 -3.93 105.19 96.17 1wrf n GLY 23 Ca 0.12 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1wrf n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wrf n SER 24 N 0.00 0.01 -4.22 1.61 3.41 -1.26 -3.53 113.62 109.64 1wrf n SER 24 Ca 0.00 1.57 -0.36 0.00 -0.26 0.00 0.00 58.87 59.82 1wrf n SER 24 Cb 0.00 -0.62 0.06 0.00 -0.26 0.00 0.00 64.21 63.38 1wrf n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wrf n ASP 25 N -5.29 -3.91 -4.53 4.04 8.00 -1.26 -4.93 116.55 108.67 1wrf n ASP 25 Ca 0.26 0.38 -0.29 0.00 0.71 0.00 0.00 54.79 55.84 1wrf n ASP 25 Cb 0.85 -0.95 0.15 0.00 -0.02 0.00 0.00 41.12 41.15 1wrf n ASP 25 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1wrf s PRO 26 N -2.27 1.04 -0.05 -0.24 0.04 -1.26 -4.56 135.00 127.71 1wrf s PRO 26 Ca 0.51 -0.03 0.06 0.00 0.04 0.00 0.00 61.00 61.58 1wrf s PRO 26 Cb -0.28 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1wrf s PRO 26 CO 0.72 -2.20 -0.22 0.00 0.04 0.00 0.00 177.00 175.33 1wrf s ILE 28 N -0.15 3.67 -0.20 0.00 -1.09 -1.26 -1.25 121.20 120.91 1wrf s ILE 28 Ca -0.02 -1.33 -0.22 0.00 -2.23 0.00 0.00 60.65 56.85 1wrf s ILE 28 Cb -0.12 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.58 1wrf s ILE 28 CO 0.03 -0.28 0.69 -0.63 -1.23 0.00 0.00 174.94 173.52 1wrf s ILE 29 N 1.35 4.97 -0.61 2.92 1.09 -1.04 -4.88 121.20 125.00 1wrf s ILE 29 Ca -0.00 1.32 -0.21 0.00 -1.10 0.00 0.00 60.65 60.65 1wrf s ILE 29 Cb -0.20 -4.00 0.07 0.00 -1.06 0.00 0.00 42.46 37.26 1wrf s ILE 29 CO 0.01 0.06 0.85 -1.00 -0.10 0.00 0.00 174.94 174.77 1wrf s HIS 30 N 2.13 2.82 0.35 3.97 3.76 -1.26 -1.81 115.29 125.23 1wrf s HIS 30 Ca 0.31 -0.57 -0.19 0.00 -0.15 0.00 0.00 55.06 54.46 1wrf s HIS 30 Cb -0.16 -4.09 -0.14 0.00 1.11 0.00 0.00 32.58 29.30 1wrf s HIS 30 CO 0.10 -1.44 0.10 -2.13 -0.85 0.00 0.00 174.74 170.52 1wrf n ARG 31 N 7.14 0.00 -0.42 1.40 0.63 -1.13 -0.84 116.66 123.44 1wrf n ARG 31 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 1wrf n ARG 31 Cb 0.45 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.47 1wrf n ARG 31 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wrf n GLY 32 N 2.05 1.98 3.80 5.14 0.00 -1.25 -4.96 105.19 111.96 1wrf n GLY 32 Ca 0.10 0.00 -0.29 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 -0.03 2.96 -0.27 1.61 -2.85 -0.02 -4.84 119.74 116.30 1wrf s LYS 33 Ca 0.00 -0.74 -0.27 0.00 -1.00 0.00 0.00 55.97 53.96 1wrf s LYS 33 Cb 0.00 -2.73 0.01 0.00 -2.06 0.00 0.00 37.83 33.05 1wrf s LYS 33 CO 0.00 0.53 0.98 -1.25 0.10 0.00 0.00 175.35 175.71 1wrf s PRO 34 N -2.73 4.14 -0.24 1.78 0.04 -1.26 -1.74 135.00 135.00 1wrf s PRO 34 Ca 0.31 1.08 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 1wrf s PRO 34 Cb -0.11 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1wrf s PRO 34 CO 0.23 -0.71 0.26 0.12 0.04 0.00 0.00 177.00 176.95 1wrf s PHE 35 N 3.25 3.31 -0.11 0.56 5.36 -0.50 -4.82 117.98 125.02 1wrf s PHE 35 Ca 0.41 0.35 -0.03 0.00 -0.96 0.00 0.00 56.93 56.70 1wrf s PHE 35 Cb -0.14 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 1wrf s PHE 35 CO 0.10 -0.03 -0.01 0.99 -1.46 0.00 0.00 175.22 174.82 1wrf s THR 36 N 1.37 4.21 -0.05 0.12 2.01 -1.26 -0.16 115.64 121.89 1wrf s THR 36 Ca 0.12 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1wrf s THR 36 Cb -0.14 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.60 1wrf s THR 36 CO 0.07 0.56 0.09 -1.48 -0.69 0.00 0.00 174.62 173.17 1wrf s LEU 37 N -0.40 0.38 -0.16 4.42 -0.00 -1.00 -2.81 118.68 119.11 1wrf s LEU 37 Ca 0.07 0.16 -0.07 0.00 -0.00 0.00 0.00 54.13 54.29 1wrf s LEU 37 Cb -0.12 0.03 -0.04 0.00 -0.00 0.00 0.00 46.19 46.06 1wrf s LEU 37 CO 0.02 -0.21 0.09 -0.70 -0.00 0.00 0.00 176.35 175.55 1wrf s GLU 38 N 1.82 3.74 -0.11 1.48 2.12 -0.68 -3.31 118.70 123.75 1wrf s GLU 38 Ca -0.00 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.05 1wrf s GLU 38 Cb -0.12 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.10 1wrf s GLU 38 CO -0.04 0.47 -0.08 0.00 -0.54 0.00 0.00 175.26 175.08 1wrf s ALA 39 N -0.18 1.32 0.08 6.30 0.00 -0.98 -1.93 121.76 126.37 1wrf s ALA 39 Ca 0.09 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.32 1wrf s ALA 39 Cb -0.12 -0.91 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1wrf s ALA 39 CO 0.01 -0.41 0.56 -0.51 0.00 0.00 0.00 175.76 175.41 1wrf s LEU 40 N 1.70 4.50 -0.21 0.00 1.43 -1.22 -3.38 118.68 121.50 1wrf s LEU 40 Ca 0.05 1.23 -0.18 0.00 -1.03 0.00 0.00 54.13 54.19 1wrf s LEU 40 Cb -0.13 -2.93 0.05 0.00 0.03 0.00 0.00 46.19 43.22 1wrf s LEU 40 CO -0.08 0.26 0.55 0.72 0.23 0.00 0.00 176.35 178.02 1wrf s PHE 41 N -1.16 -0.62 -0.49 0.29 -0.12 -0.91 -1.19 117.98 113.79 1wrf s PHE 41 Ca 0.30 1.48 -0.26 0.00 -0.05 0.00 0.00 56.93 58.40 1wrf s PHE 41 Cb -0.19 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.46 1wrf s PHE 41 CO 0.19 -0.30 0.97 -0.51 -0.05 0.00 0.00 175.22 175.51 1wrf s ASP 42 N 0.39 6.48 -0.42 1.98 1.01 -1.25 -1.30 116.67 123.56 1wrf s ASP 42 Ca -0.01 0.06 -0.42 0.00 0.71 0.00 0.00 52.55 52.89 1wrf s ASP 42 Cb -0.04 -2.46 -0.17 0.00 1.01 0.00 0.00 42.92 41.26 1wrf s ASP 42 CO -0.01 -1.13 1.98 0.00 0.21 0.00 0.00 175.17 176.22 1wrf n ALA 43 N 7.37 0.08 1.56 5.23 0.00 0.36 -4.73 120.51 130.37 1wrf n ALA 43 Ca 0.06 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.74 1wrf n ALA 43 Cb 0.48 -2.20 0.06 0.00 0.00 0.00 0.00 19.45 17.80 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 7.04 0.73 -3.53 0.00 0.23 -1.26 -1.44 115.26 117.04 1wrf n ASN 44 Ca 0.42 -2.00 -0.08 0.00 -0.53 0.00 0.00 54.58 52.38 1wrf n ASN 44 Cb 0.06 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 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 -1.81 0.73 -0.24 -3.83 -2.07 -1.26 -4.89 119.66 106.28 1wrf s GLN 45 Ca 0.09 -0.19 -0.21 0.00 -1.82 0.00 0.00 55.36 53.22 1wrf s GLN 45 Cb 0.05 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.29 1wrf s GLN 45 CO 0.06 -0.30 0.68 0.54 -1.32 0.00 0.00 175.29 174.95 1wrf s ASN 46 N -2.19 6.66 0.03 12.60 2.20 -1.24 -2.93 114.94 130.06 1wrf s ASN 46 Ca 0.04 0.81 -0.06 0.00 -0.94 0.00 0.00 52.86 52.71 1wrf s ASN 46 Cb -0.01 -2.36 -0.01 0.00 -2.00 0.00 0.00 41.25 36.87 1wrf s ASN 46 CO -0.06 -0.40 0.10 0.28 -2.94 0.00 0.00 177.10 174.07 1wrf s THR 47 N 2.53 0.12 -0.13 0.54 -1.32 -0.39 -4.82 115.64 112.17 1wrf s THR 47 Ca 0.29 -0.97 0.19 0.00 -1.21 0.00 0.00 61.69 59.99 1wrf s THR 47 Cb -0.15 -0.72 -0.27 0.00 -1.51 0.00 0.00 72.50 69.85 1wrf s THR 47 CO 0.08 -0.53 0.32 0.29 -2.21 0.00 0.00 174.62 172.57 1wrf n LYS 48 N 1.02 0.67 -4.67 7.08 4.01 -1.26 0.81 118.16 125.82 1wrf n LYS 48 Ca -0.20 -0.04 -0.34 0.00 -0.51 0.00 0.00 58.31 57.22 1wrf n LYS 48 Cb 0.57 -1.56 -0.12 0.00 -0.51 0.00 0.00 35.03 33.41 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 -2.92 3.55 0.03 -0.18 -4.23 -1.26 -4.43 115.64 106.20 1wrf s THR 49 Ca -0.08 -0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1wrf s THR 49 Cb 0.09 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 1wrf s THR 49 CO 0.86 0.58 0.04 0.00 -0.54 0.00 0.00 174.62 175.56 1wrf s ALA 50 N -0.60 0.07 -0.06 3.99 0.00 -1.26 -3.76 121.76 120.13 1wrf s ALA 50 Ca 0.09 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.33 1wrf s ALA 50 Cb -0.12 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1wrf s ALA 50 CO 0.02 -0.28 0.19 0.15 0.00 0.00 0.00 175.76 175.83 1wrf s LYS 51 N -2.47 0.25 0.20 0.00 1.02 -0.68 -2.17 119.74 115.89 1wrf s LYS 51 Ca -0.06 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.08 1wrf s LYS 51 Cb -0.02 0.12 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 1wrf s LYS 51 CO -0.04 -0.04 0.43 -1.50 -0.92 0.00 0.00 175.35 173.28 1wrf s ILE 52 N -0.06 5.12 -0.07 2.17 2.07 -1.18 -0.48 121.20 128.77 1wrf s ILE 52 Ca -0.02 -0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.18 1wrf s ILE 52 Cb -0.02 -3.67 0.04 0.00 0.13 0.00 0.00 42.46 38.94 1wrf s ILE 52 CO 0.00 -0.10 0.08 -1.61 -1.91 0.00 0.00 174.94 171.41 1wrf s GLU 53 N -3.02 -0.04 -0.23 3.50 2.02 0.34 -4.59 118.70 116.69 1wrf s GLU 53 Ca 0.42 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.73 1wrf s GLU 53 Cb -0.11 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.42 1wrf s GLU 53 CO 0.26 -0.39 -0.12 0.42 0.02 0.00 0.00 175.26 175.46 1wrf s ILE 54 N 2.18 2.46 0.23 -1.63 1.09 -1.23 -0.10 121.20 124.21 1wrf s ILE 54 Ca 0.04 -1.13 0.10 0.00 -1.10 0.00 0.00 60.65 58.56 1wrf s ILE 54 Cb -0.13 -2.23 -0.04 0.00 -1.06 0.00 0.00 42.46 39.00 1wrf s ILE 54 CO -0.04 0.26 -0.10 -0.54 -0.10 0.00 0.00 174.94 174.41 1wrf s LYS 55 N 1.26 2.01 -0.07 2.79 1.02 -0.97 -2.64 119.74 123.14 1wrf s LYS 55 Ca -0.00 -1.44 -0.00 0.00 0.02 0.00 0.00 55.97 54.54 1wrf s LYS 55 Cb -0.16 -2.05 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1wrf s LYS 55 CO -0.07 0.39 -0.04 0.00 -0.92 0.00 0.00 175.35 174.71 1wrf s ALA 56 N -2.07 0.85 0.17 5.17 0.00 -0.95 -1.25 121.76 123.67 1wrf s ALA 56 Ca 0.28 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.90 1wrf s ALA 56 Cb -0.07 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 1wrf s ALA 56 CO 0.16 -0.26 0.55 -1.12 0.00 0.00 0.00 175.76 175.09 1wrf s SER 57 N 1.47 6.77 -0.55 0.00 0.01 -0.50 -1.38 113.70 119.52 1wrf s SER 57 Ca -0.02 1.04 0.03 0.00 1.31 0.00 0.00 55.95 58.31 1wrf s SER 57 Cb -0.13 -2.27 0.41 0.00 0.21 0.00 0.00 66.02 64.23 1wrf s SER 57 CO -0.03 0.05 1.43 0.18 0.41 0.00 0.00 173.24 175.28 1wrf n LEU 58 N 0.55 5.71 -0.77 2.44 4.77 -0.15 -2.72 117.00 126.83 1wrf n LEU 58 Ca -0.04 -5.00 -0.09 0.00 -0.03 0.00 0.00 56.01 50.84 1wrf n LEU 58 Cb 0.52 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1wrf n LEU 58 CO 0.43 2.04 -0.09 -0.67 -1.33 0.00 0.00 177.39 177.78 1wrf n ASP 59 N -0.55 -5.19 0.00 -1.43 -0.08 -1.18 -3.63 116.55 104.49 1wrf n ASP 59 Ca 0.45 0.23 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 1wrf n ASP 59 Cb 0.57 -3.82 0.00 0.00 2.34 0.00 0.00 41.12 40.22 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 0.28 0.65 3.35 0.27 0.00 -1.26 -5.08 105.19 103.39 1wrf n GLY 60 Ca -0.09 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 4.41 0.05 0.99 2.96 -1.24 -5.07 118.68 120.79 1wrf s LEU 61 Ca 0.00 -0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 52.70 1wrf s LEU 61 Cb 0.00 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 1wrf s LEU 61 CO 0.00 -0.32 0.80 -0.70 -1.32 0.00 0.00 176.35 174.81 1wrf s GLU 62 N 1.51 4.53 0.31 1.98 2.12 -1.26 -0.97 118.70 126.91 1wrf s GLU 62 Ca 0.01 1.13 0.06 0.00 0.36 0.00 0.00 54.97 56.53 1wrf s GLU 62 Cb -0.19 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.77 1wrf s GLU 62 CO 0.05 0.27 -0.03 0.42 -0.54 0.00 0.00 175.26 175.43 1wrf s ILE 63 N -0.03 1.66 -0.31 -3.70 1.01 -0.48 -4.96 121.20 114.38 1wrf s ILE 63 Ca 0.40 -2.09 -0.01 0.00 0.00 0.00 0.00 60.65 58.94 1wrf s ILE 63 Cb -0.21 -2.61 0.06 0.00 0.01 0.00 0.00 42.46 39.71 1wrf s ILE 63 CO 0.24 -0.19 0.01 -1.81 0.00 0.00 0.00 174.94 173.18 1wrf s ASP 64 N -3.50 4.88 -0.30 3.58 1.01 -1.26 -2.24 116.67 118.83 1wrf s ASP 64 Ca 0.32 -1.37 -0.29 0.00 0.71 0.00 0.00 52.55 51.92 1wrf s ASP 64 Cb 0.05 -1.70 -0.01 0.00 1.01 0.00 0.00 42.92 42.27 1wrf s ASP 64 CO 0.14 -0.28 1.43 -0.69 0.21 0.00 0.00 175.17 175.98 1wrf s VAL 65 N 1.22 3.94 0.00 -1.27 1.01 -1.08 -4.96 120.40 119.25 1wrf s VAL 65 Ca -0.04 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1wrf s VAL 65 Cb -0.20 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1wrf s VAL 65 CO -0.02 -0.48 0.00 -0.81 0.00 0.00 0.00 175.10 173.79 1wrf n PRO 66 N 7.62 1.45 -1.59 2.72 -0.04 -1.26 -4.46 135.00 139.44 1wrf n PRO 66 Ca 0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.44 1wrf n PRO 66 Cb 0.46 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.85 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 1.59 0.00 0.55 0.00 -1.26 -4.81 105.19 106.26 1wrf n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.32 0.00 -3.58 -0.61 -5.35 -1.26 -3.93 119.36 102.31 1wrf n ILE 68 Ca -0.19 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 61.89 1wrf n ILE 68 Cb 0.61 -0.70 -0.10 0.00 -1.74 0.00 0.00 39.64 37.70 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 -0.76 5.71 -0.27 7.28 2.15 -1.26 -4.95 116.67 124.57 1wrf s ASP 69 Ca 0.00 -1.34 -0.04 0.00 0.43 0.00 0.00 52.55 51.60 1wrf s ASP 69 Cb 0.00 -2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 1wrf s ASP 69 CO 0.00 -0.50 2.83 0.35 -0.17 0.00 0.00 175.17 177.67 1wrf n THR 70 N 4.97 3.04 0.00 1.71 -2.24 -1.26 -3.11 114.28 117.39 1wrf n THR 70 Ca -0.11 -2.17 0.00 0.00 -2.27 0.00 0.00 64.05 59.50 1wrf n THR 70 Cb 0.44 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 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 0.02 0.00 -0.11 0.00 0.00 54.58 54.89 1wrf n ASN 71 Cb 0.65 0.00 0.12 0.00 1.24 0.00 0.00 39.78 41.79 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 2.17 0.27 5.20 0.00 -0.92 -3.47 120.51 123.77 1wrf n ALA 72 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1wrf n ALA 72 Cb 0.00 -1.07 0.42 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.02 0.83 0.00 0.00 8.25 -1.23 -3.82 115.22 117.24 1wrf n HIS 74 Ca 0.01 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 1wrf n HIS 74 Cb 0.12 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.37 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 -2.22 0.00 -4.49 4.41 3.72 -0.54 -5.04 117.46 113.30 1wrf n PHE 75 Ca 0.05 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.20 1wrf n PHE 75 Cb 0.43 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.87 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 -1.30 2.41 -1.03 -4.37 -7.23 0.08 -4.14 120.40 104.82 1wrf s VAL 76 Ca 0.00 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 57.77 1wrf s VAL 76 Cb 0.00 -2.51 0.22 0.00 0.56 0.00 0.00 36.38 34.65 1wrf s VAL 76 CO 0.00 -0.29 1.08 -1.59 -0.31 0.00 0.00 175.10 173.99 1wrf s LYS 77 N -3.58 3.94 0.55 4.82 -2.85 -1.26 -4.57 119.74 116.79 1wrf s LYS 77 Ca 0.32 -2.70 -0.09 0.00 -1.00 0.00 0.00 55.97 52.49 1wrf s LYS 77 Cb -0.01 -4.67 -0.04 0.00 -2.06 0.00 0.00 37.83 31.05 1wrf s LYS 77 CO 0.16 -1.42 0.92 0.00 0.10 0.00 0.00 175.35 175.11 1wrf s PRO 79 N -4.90 4.28 -0.43 0.00 0.04 -1.25 -5.04 135.00 127.70 1wrf s PRO 79 Ca 0.52 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 63.47 1wrf s PRO 79 Cb -0.11 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1wrf s PRO 79 CO 0.48 -0.49 1.63 -0.51 0.04 0.00 0.00 177.00 178.15 1wrf s LEU 80 N 0.97 3.49 0.16 -3.56 1.43 0.24 -4.74 118.68 116.66 1wrf s LEU 80 Ca 0.66 0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 54.33 1wrf s LEU 80 Cb -0.40 -3.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1wrf s LEU 80 CO 0.32 -1.72 1.00 -0.69 0.23 0.00 0.00 176.35 175.49 1wrf s VAL 81 N 6.61 4.22 -0.25 -1.59 1.01 -1.26 -1.27 120.40 127.88 1wrf s VAL 81 Ca 0.68 1.94 -0.28 0.00 0.00 0.00 0.00 61.98 64.32 1wrf s VAL 81 Cb -0.17 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 1wrf s VAL 81 CO 0.30 0.34 2.09 -0.75 0.00 0.00 0.00 175.10 177.09 1wrf s LYS 82 N -0.36 3.20 0.00 2.72 2.20 -1.15 -1.81 119.74 124.53 1wrf s LYS 82 Ca 0.46 1.85 0.00 0.00 -0.36 0.00 0.00 55.97 57.93 1wrf s LYS 82 Cb -0.26 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 31.74 1wrf s LYS 82 CO 0.32 -2.03 0.00 0.41 -0.36 0.00 0.00 175.35 173.69 1wrf n GLY 83 N 5.65 1.63 3.90 5.54 0.00 -0.52 -4.87 105.19 116.52 1wrf n GLY 83 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 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 3.26 0.14 1.61 2.00 -0.75 -4.89 119.66 121.04 1wrf s GLN 84 Ca 0.00 -0.74 0.05 0.00 -2.00 0.00 0.00 55.36 52.66 1wrf s GLN 84 Cb 0.00 -2.83 -0.04 0.00 0.80 0.00 0.00 33.01 30.94 1wrf s GLN 84 CO 0.00 0.48 0.11 -1.14 -0.50 0.00 0.00 175.29 174.24 1wrf s GLN 85 N -3.42 2.86 0.08 1.67 0.74 -1.26 -0.48 119.66 119.84 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 -2.64 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 1wrf s GLN 85 CO 0.27 0.50 -0.13 0.71 -0.55 0.00 0.00 175.29 176.09 1wrf s TYR 86 N -1.66 1.15 -0.24 1.67 1.51 -0.42 -4.91 117.35 114.46 1wrf s TYR 86 Ca 0.30 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1wrf s TYR 86 Cb -0.11 -0.64 0.04 0.00 -0.11 0.00 0.00 41.96 41.14 1wrf s TYR 86 CO 0.23 0.04 -0.11 0.16 -1.11 0.00 0.00 175.55 174.76 1wrf s ASP 87 N -1.93 4.13 -0.21 2.29 1.47 -1.26 -2.14 116.67 119.02 1wrf s ASP 87 Ca -0.00 -1.06 -0.02 0.00 1.18 0.00 0.00 52.55 52.65 1wrf s ASP 87 Cb -0.08 -1.58 0.01 0.00 -0.34 0.00 0.00 42.92 40.93 1wrf s ASP 87 CO 0.02 -0.13 -0.11 -0.51 0.68 0.00 0.00 175.17 175.12 1wrf s ILE 88 N 1.22 2.78 -0.44 2.11 2.07 -1.22 -4.33 121.20 123.39 1wrf s ILE 88 Ca -0.03 -0.74 -0.14 0.00 -1.41 0.00 0.00 60.65 58.33 1wrf s ILE 88 Cb -0.17 -2.25 0.06 0.00 0.13 0.00 0.00 42.46 40.22 1wrf s ILE 88 CO -0.06 0.44 0.33 -0.75 -1.91 0.00 0.00 174.94 172.99 1wrf s LYS 89 N 1.38 2.91 -0.00 3.50 2.20 -1.26 -2.32 119.74 126.15 1wrf s LYS 89 Ca 0.05 -1.25 0.08 0.00 -0.36 0.00 0.00 55.97 54.49 1wrf s LYS 89 Cb -0.14 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 1wrf s LYS 89 CO -0.07 -0.91 -0.26 -0.47 -0.36 0.00 0.00 175.35 173.27 1wrf s TYR 90 N 1.61 2.33 0.13 4.03 5.04 -1.21 -4.92 117.35 124.36 1wrf s TYR 90 Ca 0.04 -0.43 -0.12 0.00 -2.44 0.00 0.00 57.07 54.11 1wrf s TYR 90 Cb -0.22 -1.47 -0.07 0.00 0.35 0.00 0.00 41.96 40.55 1wrf s TYR 90 CO 0.07 0.01 0.50 0.95 -1.34 0.00 0.00 175.55 175.73 1wrf s THR 91 N -0.67 4.94 -0.40 4.34 -4.23 -1.26 -2.37 115.64 115.99 1wrf s THR 91 Ca 0.10 0.67 0.02 0.00 -1.18 0.00 0.00 61.69 61.31 1wrf s THR 91 Cb -0.10 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 70.16 1wrf s THR 91 CO -0.00 0.24 0.17 0.86 -0.54 0.00 0.00 174.62 175.35 1wrf s TRP 92 N -1.46 2.41 -0.41 3.99 -0.00 0.78 -4.73 118.94 119.52 1wrf s TRP 92 Ca 0.37 -2.47 -0.28 0.00 -0.00 0.00 0.00 56.10 53.71 1wrf s TRP 92 Cb -0.14 -2.18 -0.08 0.00 -0.00 0.00 0.00 33.47 31.07 1wrf s TRP 92 CO 0.19 -0.83 2.34 0.09 -0.00 0.00 0.00 176.95 178.74 1wrf n ASN 93 N 3.93 2.49 -4.75 5.86 3.02 -1.25 -1.42 115.26 123.14 1wrf n ASN 93 Ca 0.04 -0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.09 1wrf n ASN 93 Cb 0.37 -1.49 0.01 0.00 -0.61 0.00 0.00 39.78 38.06 1wrf n ASN 93 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wrf n VAL 94 N 7.78 2.42 -2.26 2.41 0.31 -0.71 -4.82 118.33 123.46 1wrf n VAL 94 Ca 0.37 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1wrf n VAL 94 Cb 0.44 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 1wrf n VAL 94 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wrf s PRO 95 N -2.24 4.29 0.00 5.55 0.04 -1.26 -3.88 135.00 137.50 1wrf s PRO 95 Ca 0.58 1.91 0.12 0.00 0.04 0.00 0.00 61.00 63.65 1wrf s PRO 95 Cb -0.48 -3.60 0.68 0.00 0.04 0.00 0.00 34.50 31.14 1wrf s PRO 95 CO 0.60 -0.57 1.23 1.17 0.04 0.00 0.00 177.00 179.47 1wrf n LYS 96 N 5.49 0.29 0.07 4.56 0.00 -1.26 -1.75 118.16 125.55 1wrf n LYS 96 Ca 0.13 0.08 0.02 0.00 0.00 0.00 0.00 58.31 58.55 1wrf n LYS 96 Cb 0.44 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.92 1wrf n LYS 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1wrf h ILE 97 N 0.00 0.46 -0.45 3.15 3.07 -2.00 -3.46 117.51 118.29 1wrf h ILE 97 Ca 0.00 -1.84 -0.40 0.00 1.55 0.00 0.00 64.86 64.17 1wrf h ILE 97 Cb 0.05 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1wrf h ILE 97 CO 0.00 0.26 0.31 0.00 -1.05 0.00 0.00 178.15 177.68 1wrf n ALA 98 N -2.33 -0.62 -2.51 0.16 0.00 -0.72 -4.85 120.51 109.64 1wrf n ALA 98 Ca -0.06 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1wrf n ALA 98 Cb 0.77 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 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 1.35 4.44 -0.85 0.00 0.04 -1.26 -4.91 135.00 133.81 1wrf s PRO 99 Ca 0.48 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 1wrf s PRO 99 Cb -0.68 -3.38 -0.21 0.00 0.04 0.00 0.00 34.50 30.26 1wrf s PRO 99 CO 0.37 0.24 2.34 1.63 0.04 0.00 0.00 177.00 181.62 1wrf n LYS 100 N 3.08 0.36 -3.27 4.56 4.76 -1.26 -4.82 118.16 121.55 1wrf n LYS 100 Ca -0.03 -0.39 -0.41 0.00 -2.87 0.00 0.00 58.31 54.61 1wrf n LYS 100 Cb 0.51 -2.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.11 1wrf n LYS 100 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1wrf s SER 101 N 6.88 6.28 0.34 4.39 0.15 -1.24 -4.93 113.70 125.58 1wrf s SER 101 Ca 1.11 -0.13 0.16 0.00 0.70 0.00 0.00 55.95 57.80 1wrf s SER 101 Cb -0.49 -2.25 1.15 0.00 -1.71 0.00 0.00 66.02 62.72 1wrf s SER 101 CO 0.31 -0.47 1.49 -1.84 1.20 0.00 0.00 173.24 173.93 1wrf n GLU 102 N 5.68 -0.06 -4.24 5.44 0.28 -1.26 -2.88 120.64 123.59 1wrf n GLU 102 Ca -0.06 1.33 -0.17 0.00 -0.16 0.00 0.00 57.16 58.10 1wrf n GLU 102 Cb 0.49 -2.32 -0.14 0.00 1.43 0.00 0.00 31.44 30.90 1wrf n GLU 102 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1wrf s ASN 103 N -4.65 0.83 0.04 -1.84 3.84 -1.26 -4.51 114.94 107.39 1wrf s ASN 103 Ca -0.09 -0.16 0.03 0.00 0.21 0.00 0.00 52.86 52.85 1wrf s ASN 103 Cb 0.31 -0.08 -0.02 0.00 -0.55 0.00 0.00 41.25 40.91 1wrf s ASN 103 CO 0.74 0.07 -0.10 -0.69 -2.79 0.00 0.00 177.10 174.32 1wrf s VAL 104 N -0.25 0.77 -0.18 -5.21 1.01 -0.24 -3.09 120.40 113.20 1wrf s VAL 104 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1wrf s VAL 104 Cb -0.03 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.65 1wrf s VAL 104 CO -0.00 -0.15 -0.08 -0.69 0.00 0.00 0.00 175.10 174.18 1wrf s VAL 105 N -0.96 1.39 -0.10 2.92 1.01 -1.10 -3.51 120.40 120.05 1wrf s VAL 105 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1wrf s VAL 105 Cb -0.08 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1wrf s VAL 105 CO 0.01 0.15 0.24 -0.69 0.00 0.00 0.00 175.10 174.80 1wrf s VAL 106 N 1.51 5.33 -0.23 2.92 1.01 -1.21 -1.41 120.40 128.33 1wrf s VAL 106 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 1wrf s VAL 106 Cb -0.16 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1wrf s VAL 106 CO -0.08 0.56 -0.11 -0.89 0.00 0.00 0.00 175.10 174.58 1wrf s THR 107 N -0.74 2.50 -0.16 3.92 2.01 -0.38 -1.84 115.64 120.94 1wrf s THR 107 Ca 0.17 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.91 1wrf s THR 107 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1wrf s THR 107 CO 0.06 0.26 0.36 0.54 -0.69 0.00 0.00 174.62 175.16 1wrf s VAL 108 N 1.27 5.25 -0.04 3.82 0.11 -0.60 -2.30 120.40 127.92 1wrf s VAL 108 Ca -0.00 0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 1wrf s VAL 108 Cb -0.16 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.02 1wrf s VAL 108 CO -0.07 0.33 0.07 -0.75 -3.33 0.00 0.00 175.10 171.35 1wrf s LYS 109 N 0.76 0.01 -0.11 1.54 2.20 0.86 0.33 119.74 125.33 1wrf s LYS 109 Ca 0.19 0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 1wrf s LYS 109 Cb -0.14 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.93 1wrf s LYS 109 CO 0.06 -0.16 0.09 -0.51 -0.36 0.00 0.00 175.35 174.47 1wrf s LEU 110 N 1.07 4.09 -0.13 5.43 1.43 -0.50 0.13 118.68 130.19 1wrf s LEU 110 Ca -0.09 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1wrf s LEU 110 Cb -0.12 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.17 1wrf s LEU 110 CO -0.04 0.39 0.04 -0.63 0.23 0.00 0.00 176.35 176.34 1wrf s ILE 111 N -0.91 0.23 0.00 -0.59 1.09 0.36 0.17 121.20 121.55 1wrf s ILE 111 Ca 0.14 -0.09 0.00 0.00 -1.10 0.00 0.00 60.65 59.60 1wrf s ILE 111 Cb -0.12 -0.62 0.00 0.00 -1.06 0.00 0.00 42.46 40.66 1wrf s ILE 111 CO 0.03 -0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.46 1wrf n GLY 112 N 5.18 1.27 0.72 6.18 0.00 -0.45 -1.68 105.19 116.41 1wrf n GLY 112 Ca -0.07 -1.45 0.09 0.00 0.00 0.00 0.00 46.02 44.59 1wrf n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wrf n ASP 113 N 0.00 2.50 -0.21 1.61 2.03 -1.25 -4.34 116.55 116.90 1wrf n ASP 113 Ca 0.00 -1.75 0.02 0.00 0.52 0.00 0.00 54.79 53.58 1wrf n ASP 113 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1wrf n ASP 113 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1wrf n ASN 114 N 1.01 1.81 0.00 1.67 3.02 -1.26 -5.10 115.26 116.41 1wrf n ASN 114 Ca 0.11 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.10 1wrf n ASN 114 Cb 0.45 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.08 0.80 3.57 7.41 0.00 -1.26 -5.03 105.19 110.76 1wrf n GLY 115 Ca 0.03 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.98 4.49 0.28 1.61 1.01 -1.26 -1.34 120.40 122.22 1wrf s VAL 116 Ca 0.00 0.78 -0.01 0.00 0.00 0.00 0.00 61.98 62.75 1wrf s VAL 116 Cb 0.00 -4.42 0.27 0.00 0.00 0.00 0.00 36.38 32.23 1wrf s VAL 116 CO 0.00 -0.80 1.91 -0.07 0.00 0.00 0.00 175.10 176.14 1wrf h LEU 117 N 10.51 0.98 -8.30 3.92 3.38 0.14 -3.46 115.31 122.48 1wrf h LEU 117 Ca -0.24 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 1wrf h LEU 117 Cb 1.08 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 1wrf h LEU 117 CO 1.02 0.64 -0.06 0.00 0.09 0.00 0.00 178.44 180.13 1wrf s ALA 118 N -5.97 0.04 -0.10 1.53 0.00 -0.97 -4.44 121.76 111.85 1wrf s ALA 118 Ca -0.12 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 1wrf s ALA 118 Cb 0.20 1.02 0.12 0.00 0.00 0.00 0.00 23.12 24.45 1wrf s ALA 118 CO 0.81 -0.86 0.95 0.00 0.00 0.00 0.00 175.76 176.66 1wrf s ALA 120 N -1.84 -1.03 -0.12 0.00 0.00 0.15 -2.47 121.76 116.45 1wrf s ALA 120 Ca 0.01 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1wrf s ALA 120 Cb -0.01 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1wrf s ALA 120 CO -0.02 -0.29 0.00 0.42 0.00 0.00 0.00 175.76 175.88 1wrf s ILE 121 N -1.26 0.49 -0.24 0.00 1.01 -0.95 -1.55 121.20 118.70 1wrf s ILE 121 Ca -0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1wrf s ILE 121 Cb -0.04 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 1wrf s ILE 121 CO 0.06 0.11 0.07 0.00 0.00 0.00 0.00 174.94 175.18 1wrf s ALA 122 N 1.91 3.19 0.09 9.38 0.00 -0.76 -1.63 121.76 133.94 1wrf s ALA 122 Ca 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1wrf s ALA 122 Cb -0.14 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.91 1wrf s ALA 122 CO -0.06 -0.42 0.00 2.41 0.00 0.00 0.00 175.76 177.69 1wrf n THR 123 N 4.78 0.00 -2.54 0.00 -1.04 -1.26 -3.30 114.28 110.92 1wrf n THR 123 Ca -0.16 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.77 1wrf n THR 123 Cb 0.52 -0.74 -0.00 0.00 -1.82 0.00 0.00 70.33 68.28 1wrf n THR 123 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1wrf n HIS 124 N 0.00 -1.68 -3.95 -1.42 -0.00 -1.26 -4.72 115.22 102.20 1wrf n HIS 124 Ca 0.00 0.03 -0.25 0.00 0.46 0.00 0.00 57.72 57.96 1wrf n HIS 124 Cb 0.00 -2.02 -0.03 0.00 -0.12 0.00 0.00 29.99 27.82 1wrf n HIS 124 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1wrf s GLY 125 N -2.07 1.61 -0.19 1.57 0.00 -1.23 -1.74 107.32 105.27 1wrf s GLY 125 Ca 0.03 -1.07 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 1wrf s GLY 125 CO 0.04 -1.08 0.50 0.54 0.00 0.00 0.00 173.10 173.10 1wrf s LYS 126 N -3.38 0.55 -0.12 2.90 1.02 -0.38 -1.08 119.74 119.25 1wrf s LYS 126 Ca 0.34 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 57.08 1wrf s LYS 126 Cb -0.11 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.36 1wrf s LYS 126 CO 0.29 -0.10 -0.01 0.42 -0.92 0.00 0.00 175.35 175.02 1wrf s ILE 127 N 0.71 4.15 0.50 2.17 1.01 -1.14 -2.50 121.20 126.10 1wrf s ILE 127 Ca -0.04 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1wrf s ILE 127 Cb -0.05 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 1wrf s ILE 127 CO -0.05 0.54 0.15 -0.13 0.00 0.00 0.00 174.94 175.45 1wrf s ARG 128 N -0.22 2.20 0.00 2.79 3.00 -0.75 -3.59 118.95 122.38 1wrf s ARG 128 Ca 0.05 -2.20 0.31 0.00 0.00 0.00 0.00 55.73 53.89 1wrf s ARG 128 Cb -0.13 -1.76 1.71 0.00 0.00 0.00 0.00 34.95 34.77 1wrf s ARG 128 CO 0.02 -0.40 2.12 -3.47 0.00 0.00 0.00 175.30 173.58