#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f08 s GLN 2 N 0.00 3.03 0.14 -0.67 0.74 -1.26 -3.62 119.66 118.02 2f08 s GLN 2 Ca 0.00 1.48 0.09 0.00 0.05 0.00 0.00 55.36 56.98 2f08 s GLN 2 Cb 0.00 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 2f08 s GLN 2 CO 0.00 -1.08 -0.22 0.14 -0.55 0.00 0.00 175.29 173.58 2f08 s VAL 3 N -2.11 1.92 -0.27 1.34 -7.23 0.31 -0.70 120.40 113.66 2f08 s VAL 3 Ca 0.69 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.82 2f08 s VAL 3 Cb -0.22 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2f08 s VAL 3 CO 0.35 -0.12 1.24 -1.81 -0.31 0.00 0.00 175.10 174.45 2f08 s ASP 4 N -2.26 6.81 0.09 4.85 1.11 0.52 -4.62 116.67 123.16 2f08 s ASP 4 Ca 0.12 1.31 0.06 0.00 0.18 0.00 0.00 52.55 54.22 2f08 s ASP 4 Cb -0.08 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 2f08 s ASP 4 CO 0.06 -0.94 -0.16 0.68 1.18 0.00 0.00 175.17 175.99 2f08 s VAL 5 N 3.96 1.28 -0.16 -1.27 -7.23 -1.26 -4.37 120.40 111.35 2f08 s VAL 5 Ca 0.53 -1.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.17 2f08 s VAL 5 Cb -0.17 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 2f08 s VAL 5 CO 0.19 -0.22 0.17 -0.54 -0.31 0.00 0.00 175.10 174.39 2f08 s LYS 6 N -1.94 3.92 0.38 4.82 3.01 0.27 -4.86 119.74 125.35 2f08 s LYS 6 Ca 0.02 -0.11 -0.24 0.00 -1.01 0.00 0.00 55.97 54.63 2f08 s LYS 6 Cb -0.09 -3.33 -0.10 0.00 -1.01 0.00 0.00 37.83 33.30 2f08 s LYS 6 CO 0.03 0.48 0.96 0.34 0.51 0.00 0.00 175.35 177.67 2f08 s ASP 7 N -0.19 7.07 -0.14 2.83 -1.08 -1.26 0.18 116.67 124.09 2f08 s ASP 7 Ca 0.13 1.81 0.22 0.00 -0.52 0.00 0.00 52.55 54.18 2f08 s ASP 7 Cb -0.12 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.23 2f08 s ASP 7 CO 0.02 -0.26 1.16 0.00 0.52 0.00 0.00 175.17 176.60 2f08 n ALA 9 N -0.15 0.00 -2.71 0.00 0.00 -1.25 -4.72 120.51 111.68 2f08 n ALA 9 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.50 2f08 n ALA 9 Cb 0.96 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.46 2f08 n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2f08 n ASN 10 N 0.00 2.07 -1.00 0.00 5.15 -1.26 -4.99 115.26 115.23 2f08 n ASN 10 Ca 0.00 -2.34 -0.12 0.00 -0.60 0.00 0.00 54.58 51.52 2f08 n ASN 10 Cb 0.00 -0.46 -0.04 0.00 -0.53 0.00 0.00 39.78 38.75 2f08 n ASN 10 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2f08 n ASN 11 N -0.57 -4.28 0.07 1.20 3.02 -1.26 -4.90 115.26 108.53 2f08 n ASN 11 Ca 0.13 0.23 0.12 0.00 -0.03 0.00 0.00 54.58 55.02 2f08 n ASN 11 Cb 0.82 -2.97 0.46 0.00 -0.61 0.00 0.00 39.78 37.48 2f08 n ASN 11 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2f08 n GLU 12 N -2.54 0.14 -2.75 3.52 0.00 -1.26 -4.57 120.64 113.16 2f08 n GLU 12 Ca -0.12 0.24 -0.43 0.00 0.00 0.00 0.00 57.16 56.85 2f08 n GLU 12 Cb 0.43 -1.70 -0.03 0.00 0.00 0.00 0.00 31.44 30.14 2f08 n GLU 12 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2f08 s ILE 13 N -3.13 4.60 -0.11 3.84 -1.09 -1.26 -0.79 121.20 123.26 2f08 s ILE 13 Ca 0.09 1.47 -0.20 0.00 -2.23 0.00 0.00 60.65 59.78 2f08 s ILE 13 Cb 0.12 -4.33 -0.27 0.00 -1.58 0.00 0.00 42.46 36.40 2f08 s ILE 13 CO 0.45 -0.43 0.62 0.11 -1.23 0.00 0.00 174.94 174.46 2f08 h LYS 14 N 8.18 0.18 -2.07 2.79 1.79 0.79 -3.48 116.57 124.75 2f08 h LYS 14 Ca -0.22 -0.31 -0.04 0.00 -2.18 0.00 0.00 60.65 57.90 2f08 h LYS 14 Cb 1.07 0.12 -0.19 0.00 -1.58 0.00 0.00 32.23 31.65 2f08 h LYS 14 CO 0.98 1.15 0.24 -1.59 -1.08 0.00 0.00 179.45 179.15 2f08 s LYS 15 N -2.41 1.03 -0.01 3.15 -2.85 -1.05 -5.00 119.74 112.60 2f08 s LYS 15 Ca -0.20 0.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.93 2f08 s LYS 15 Cb 0.03 0.48 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 2f08 s LYS 15 CO 0.74 -0.34 0.01 0.54 0.10 0.00 0.00 175.35 176.40 2f08 s VAL 16 N -1.50 -0.00 0.07 1.79 0.11 -1.26 -0.19 120.40 119.42 2f08 s VAL 16 Ca -0.08 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2f08 s VAL 16 Cb -0.00 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.77 2f08 s VAL 16 CO 0.06 0.04 -0.12 0.00 -3.33 0.00 0.00 175.10 171.75 2f08 s MET 17 N 0.38 0.77 -0.01 1.54 0.23 -0.04 -0.53 119.30 121.64 2f08 s MET 17 Ca -0.03 -0.97 0.02 0.00 -1.03 0.00 0.00 55.69 53.68 2f08 s MET 17 Cb -0.05 -0.65 -0.00 0.00 -1.53 0.00 0.00 34.83 32.60 2f08 s MET 17 CO -0.01 0.13 -0.06 0.14 -2.03 0.00 0.00 175.02 173.19 2f08 s VAL 18 N -1.59 0.48 -0.25 5.16 -7.23 -1.24 -0.05 120.40 115.69 2f08 s VAL 18 Ca -0.02 -0.26 -0.35 0.00 -1.81 0.00 0.00 61.98 59.55 2f08 s VAL 18 Cb -0.08 -0.41 -0.11 0.00 0.56 0.00 0.00 36.38 36.34 2f08 s VAL 18 CO 0.01 0.14 2.06 -0.67 -0.31 0.00 0.00 175.10 176.33 2f08 n ASP 19 N 2.96 2.68 0.00 4.85 2.03 -0.25 -1.52 116.55 127.29 2f08 n ASP 19 Ca -0.13 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2f08 n ASP 19 Cb 0.58 -1.32 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2f08 n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2f08 n GLY 20 N 5.59 0.74 3.43 0.27 0.00 -1.26 -4.83 105.19 109.13 2f08 n GLY 20 Ca 0.33 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.11 2f08 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f08 s HIS 22 N -2.87 -0.84 0.00 0.00 2.46 -1.26 -4.46 115.29 108.31 2f08 s HIS 22 Ca 0.28 1.76 0.00 0.00 0.47 0.00 0.00 55.06 57.57 2f08 s HIS 22 Cb 0.01 0.44 0.00 0.00 -0.13 0.00 0.00 32.58 32.90 2f08 s HIS 22 CO 0.12 -0.43 0.00 0.41 -2.47 0.00 0.00 174.74 172.37 2f08 n GLY 23 N 4.03 2.90 0.74 1.59 0.00 0.12 -1.62 105.19 112.95 2f08 n GLY 23 Ca -0.20 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.13 2f08 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2f08 n SER 24 N 4.17 3.48 -4.80 1.61 3.41 -1.26 -0.36 113.62 119.86 2f08 n SER 24 Ca 0.00 -2.73 -0.30 0.00 -0.26 0.00 0.00 58.87 55.58 2f08 n SER 24 Cb 0.00 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 63.59 2f08 n SER 24 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2f08 s ASP 25 N -1.72 4.81 -0.04 4.04 1.01 -0.64 -4.90 116.67 119.23 2f08 s ASP 25 Ca 0.35 1.50 -0.33 0.00 0.71 0.00 0.00 52.55 54.78 2f08 s ASP 25 Cb 0.27 -2.29 -0.11 0.00 1.01 0.00 0.00 42.92 41.80 2f08 s ASP 25 CO 0.10 -1.79 1.91 -2.65 0.21 0.00 0.00 175.17 172.95 2f08 n PRO 26 N -3.34 2.41 -3.12 8.23 -0.02 -1.26 -4.73 135.00 133.17 2f08 n PRO 26 Ca 0.07 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 2f08 n PRO 26 Cb 0.55 -2.77 -0.07 0.00 -0.02 0.00 0.00 33.50 31.19 2f08 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f08 s ILE 28 N 2.79 4.89 -0.33 0.00 -1.09 -1.26 -1.18 121.20 125.02 2f08 s ILE 28 Ca 0.21 1.65 -0.09 0.00 -2.23 0.00 0.00 60.65 60.19 2f08 s ILE 28 Cb -0.15 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2f08 s ILE 28 CO 0.17 0.04 0.15 -0.63 -1.23 0.00 0.00 174.94 173.45 2f08 s ILE 29 N 2.01 4.40 -0.31 2.92 1.01 0.26 -4.93 121.20 126.56 2f08 s ILE 29 Ca 0.39 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 2f08 s ILE 29 Cb -0.17 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 38.96 2f08 s ILE 29 CO 0.13 -0.05 0.63 -1.00 0.00 0.00 0.00 174.94 174.66 2f08 s HIS 30 N 1.55 3.21 0.27 3.97 3.76 -1.26 -1.72 115.29 125.08 2f08 s HIS 30 Ca 0.03 0.56 -0.30 0.00 -0.15 0.00 0.00 55.06 55.20 2f08 s HIS 30 Cb -0.18 -3.01 -0.13 0.00 1.11 0.00 0.00 32.58 30.37 2f08 s HIS 30 CO 0.05 -0.49 1.29 0.54 -0.85 0.00 0.00 174.74 175.28 2f08 n ARG 31 N 5.91 1.90 -0.61 1.40 1.74 -0.30 -1.53 116.66 125.15 2f08 n ARG 31 Ca -0.01 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 2f08 n ARG 31 Cb 0.49 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 2f08 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f08 n GLY 32 N 1.56 1.70 3.52 -0.13 0.00 0.12 -4.73 105.19 107.24 2f08 n GLY 32 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2f08 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f08 s LYS 33 N -0.02 2.18 0.46 1.61 3.01 -0.58 -4.93 119.74 121.47 2f08 s LYS 33 Ca 0.00 -0.94 -0.24 0.00 -1.01 0.00 0.00 55.97 53.77 2f08 s LYS 33 Cb 0.00 -2.29 -0.07 0.00 -1.01 0.00 0.00 37.83 34.46 2f08 s LYS 33 CO 0.00 0.54 1.32 -1.25 0.51 0.00 0.00 175.35 176.47 2f08 s PRO 34 N -1.67 3.67 -0.25 -1.68 0.04 -1.26 -4.18 135.00 129.67 2f08 s PRO 34 Ca 0.17 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.38 2f08 s PRO 34 Cb -0.11 -2.56 0.04 0.00 0.04 0.00 0.00 34.50 31.92 2f08 s PRO 34 CO 0.08 -0.74 -0.10 0.12 0.04 0.00 0.00 177.00 176.41 2f08 s PHE 35 N -1.31 3.14 -0.27 0.56 5.36 0.21 -4.93 117.98 120.75 2f08 s PHE 35 Ca 0.62 -1.97 -0.07 0.00 -0.96 0.00 0.00 56.93 54.55 2f08 s PHE 35 Cb -0.38 -1.99 -0.01 0.00 -0.34 0.00 0.00 43.02 40.31 2f08 s PHE 35 CO 0.48 -0.82 0.06 0.99 -1.46 0.00 0.00 175.22 174.46 2f08 s THR 36 N 1.21 4.00 0.19 0.12 2.01 -1.26 0.91 115.64 122.81 2f08 s THR 36 Ca -0.04 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.57 2f08 s THR 36 Cb -0.18 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2f08 s THR 36 CO -0.06 0.21 -0.22 -1.48 -0.69 0.00 0.00 174.62 172.39 2f08 s LEU 37 N 1.54 2.44 -0.05 4.42 0.05 -0.62 -1.09 118.68 125.37 2f08 s LEU 37 Ca 0.04 -0.87 0.02 0.00 0.05 0.00 0.00 54.13 53.37 2f08 s LEU 37 Cb -0.16 -1.03 0.02 0.00 -2.05 0.00 0.00 46.19 42.96 2f08 s LEU 37 CO 0.02 0.06 -0.08 -0.70 -0.55 0.00 0.00 176.35 175.10 2f08 s GLU 38 N -2.76 1.13 -0.01 1.48 2.12 0.93 -1.16 118.70 120.43 2f08 s GLU 38 Ca 0.19 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.34 2f08 s GLU 38 Cb -0.07 -1.02 -0.01 0.00 0.26 0.00 0.00 34.13 33.28 2f08 s GLU 38 CO 0.09 -0.01 -0.18 0.00 -0.54 0.00 0.00 175.26 174.62 2f08 s ALA 39 N 0.70 1.48 -0.26 6.30 0.00 -0.09 -0.86 121.76 129.02 2f08 s ALA 39 Ca -0.11 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2f08 s ALA 39 Cb -0.14 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2f08 s ALA 39 CO 0.01 0.36 -0.00 -1.17 0.00 0.00 0.00 175.76 174.96 2f08 s LEU 40 N -0.50 3.35 0.05 0.00 2.96 0.73 -1.14 118.68 124.14 2f08 s LEU 40 Ca 0.07 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.30 2f08 s LEU 40 Cb -0.07 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2f08 s LEU 40 CO -0.00 -0.12 -0.04 0.72 -1.32 0.00 0.00 176.35 175.59 2f08 s PHE 41 N 1.43 0.55 -0.23 5.38 -0.71 -0.17 0.13 117.98 124.36 2f08 s PHE 41 Ca 0.03 -0.93 -0.09 0.00 -1.04 0.00 0.00 56.93 54.90 2f08 s PHE 41 Cb -0.16 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 2f08 s PHE 41 CO -0.02 -0.30 0.10 -0.51 -1.34 0.00 0.00 175.22 173.16 2f08 s ASP 42 N -2.63 5.62 0.13 1.98 -0.00 0.03 0.60 116.67 122.39 2f08 s ASP 42 Ca 0.03 -0.03 -0.33 0.00 -0.00 0.00 0.00 52.55 52.22 2f08 s ASP 42 Cb 0.04 -2.00 -0.13 0.00 -0.00 0.00 0.00 42.92 40.83 2f08 s ASP 42 CO -0.07 0.05 1.69 0.00 -0.00 0.00 0.00 175.17 176.84 2f08 n ALA 43 N 4.40 1.68 -0.97 5.23 0.00 0.29 -4.82 120.51 126.31 2f08 n ALA 43 Ca -0.16 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.71 2f08 n ALA 43 Cb 0.52 -2.44 0.36 0.00 0.00 0.00 0.00 19.45 17.88 2f08 n ALA 43 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2f08 n ASN 44 N 4.36 5.23 -3.72 0.00 6.94 -1.26 0.79 115.26 127.60 2f08 n ASN 44 Ca 0.18 -3.05 0.03 0.00 -0.02 0.00 0.00 54.58 51.72 2f08 n ASN 44 Cb 0.31 -0.69 0.01 0.00 -2.36 0.00 0.00 39.78 37.06 2f08 n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2f08 n GLN 45 N 0.23 0.15 -4.79 -3.83 10.64 -1.26 -4.93 117.38 113.59 2f08 n GLN 45 Ca 0.31 -0.71 -0.33 0.00 -1.83 0.00 0.00 57.00 54.45 2f08 n GLN 45 Cb 1.23 1.19 -0.14 0.00 -0.86 0.00 0.00 30.24 31.65 2f08 n GLN 45 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2f08 s ASN 46 N -3.72 3.99 -0.07 2.61 -0.87 -1.26 -1.56 114.94 114.07 2f08 s ASN 46 Ca 0.29 -0.33 -0.15 0.00 -1.57 0.00 0.00 52.86 51.10 2f08 s ASN 46 Cb -0.01 -1.60 0.03 0.00 -0.02 0.00 0.00 41.25 39.66 2f08 s ASN 46 CO -0.01 0.17 0.35 0.28 -2.57 0.00 0.00 177.10 175.32 2f08 s THR 47 N 0.33 0.03 -0.23 1.60 -1.32 -1.10 -4.80 115.64 110.15 2f08 s THR 47 Ca -0.11 -0.24 0.19 0.00 -1.21 0.00 0.00 61.69 60.31 2f08 s THR 47 Cb -0.16 -0.59 0.07 0.00 -1.51 0.00 0.00 72.50 70.31 2f08 s THR 47 CO 0.06 -0.13 1.27 0.11 -2.21 0.00 0.00 174.62 173.72 2f08 h LYS 48 N 4.57 0.00 -6.04 7.08 1.57 -1.94 -0.29 116.57 121.52 2f08 h LYS 48 Ca -0.28 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.96 2f08 h LYS 48 Cb 1.18 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.28 2f08 h LYS 48 CO 0.34 0.25 -0.81 0.95 -0.57 0.00 0.00 179.45 179.61 2f08 s THR 49 N -3.08 1.68 -0.07 -0.16 -4.23 -1.26 -4.60 115.64 103.91 2f08 s THR 49 Ca 0.02 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2f08 s THR 49 Cb 0.08 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.38 2f08 s THR 49 CO 0.75 -0.13 0.12 0.00 -0.54 0.00 0.00 174.62 174.82 2f08 s ALA 50 N -1.37 -0.04 -0.07 3.99 0.00 -1.26 -3.80 121.76 119.21 2f08 s ALA 50 Ca 0.08 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2f08 s ALA 50 Cb -0.09 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2f08 s ALA 50 CO 0.04 -0.48 -0.10 0.21 0.00 0.00 0.00 175.76 175.43 2f08 s LYS 51 N 2.10 2.72 -0.15 0.00 2.20 0.80 0.80 119.74 128.20 2f08 s LYS 51 Ca 0.02 -0.62 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 2f08 s LYS 51 Cb -0.12 -2.51 0.01 0.00 -1.51 0.00 0.00 37.83 33.70 2f08 s LYS 51 CO -0.05 0.60 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.83 2f08 s ILE 52 N -0.65 2.07 -0.03 5.43 2.07 -0.12 0.54 121.20 130.52 2f08 s ILE 52 Ca 0.10 -0.96 0.06 0.00 -1.41 0.00 0.00 60.65 58.43 2f08 s ILE 52 Cb -0.11 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.61 2f08 s ILE 52 CO 0.01 0.55 -0.19 -1.61 -1.91 0.00 0.00 174.94 171.79 2f08 s GLU 53 N 0.99 2.31 -0.04 3.50 2.02 0.92 -4.64 118.70 123.77 2f08 s GLU 53 Ca -0.03 -0.81 0.01 0.00 0.02 0.00 0.00 54.97 54.17 2f08 s GLU 53 Cb -0.15 -2.24 0.02 0.00 0.10 0.00 0.00 34.13 31.87 2f08 s GLU 53 CO -0.06 0.59 -0.04 0.42 0.02 0.00 0.00 175.26 176.19 2f08 s ILE 54 N -0.71 0.49 0.04 -1.63 1.01 -1.26 -0.77 121.20 118.37 2f08 s ILE 54 Ca 0.11 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.66 2f08 s ILE 54 Cb -0.10 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 2f08 s ILE 54 CO 0.00 0.21 -0.05 -0.54 0.00 0.00 0.00 174.94 174.56 2f08 s LYS 55 N 0.82 0.48 -0.02 2.79 1.02 -0.97 -4.68 119.74 119.18 2f08 s LYS 55 Ca -0.11 -0.82 0.07 0.00 0.02 0.00 0.00 55.97 55.13 2f08 s LYS 55 Cb -0.14 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.11 2f08 s LYS 55 CO 0.00 -0.02 -0.22 0.00 -0.92 0.00 0.00 175.35 174.19 2f08 s ALA 56 N -2.00 2.36 -0.12 5.17 0.00 -0.74 -1.39 121.76 125.04 2f08 s ALA 56 Ca -0.08 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2f08 s ALA 56 Cb -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.40 2f08 s ALA 56 CO -0.02 0.54 -0.16 0.45 0.00 0.00 0.00 175.76 176.57 2f08 s SER 57 N -0.79 2.59 -0.09 0.00 0.15 0.30 -0.65 113.70 115.20 2f08 s SER 57 Ca 0.11 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.26 2f08 s SER 57 Cb -0.10 -1.16 0.05 0.00 -1.71 0.00 0.00 66.02 63.10 2f08 s SER 57 CO 0.00 0.00 0.18 -1.48 1.20 0.00 0.00 173.24 173.14 2f08 s LEU 58 N 1.10 0.14 -1.54 3.45 2.34 0.82 -1.00 118.68 123.99 2f08 s LEU 58 Ca -0.04 0.37 -0.05 0.00 0.06 0.00 0.00 54.13 54.47 2f08 s LEU 58 Cb -0.14 0.39 0.05 0.00 -0.56 0.00 0.00 46.19 45.92 2f08 s LEU 58 CO -0.04 -0.21 0.38 0.47 -1.06 0.00 0.00 176.35 175.89 2f08 n ASP 59 N 4.95 -0.63 0.00 1.48 10.43 -1.26 -1.11 116.55 130.41 2f08 n ASP 59 Ca -0.12 -1.11 0.00 0.00 2.57 0.00 0.00 54.79 56.13 2f08 n ASP 59 Cb 0.51 -2.46 0.00 0.00 1.84 0.00 0.00 41.12 41.01 2f08 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f08 n GLY 60 N -1.98 0.89 3.39 0.44 0.00 -1.26 -5.05 105.19 101.61 2f08 n GLY 60 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 2f08 n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2f08 s LEU 61 N 0.00 2.32 -0.07 0.99 2.96 -0.27 -5.13 118.68 119.49 2f08 s LEU 61 Ca 0.00 -0.62 0.05 0.00 -0.22 0.00 0.00 54.13 53.34 2f08 s LEU 61 Cb 0.00 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 2f08 s LEU 61 CO 0.00 0.23 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.33 2f08 s GLU 62 N -1.60 2.48 0.14 1.98 2.12 -1.26 -0.12 118.70 122.44 2f08 s GLU 62 Ca 0.13 -0.81 0.07 0.00 0.36 0.00 0.00 54.97 54.72 2f08 s GLU 62 Cb -0.10 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 2f08 s GLU 62 CO 0.04 0.28 -0.15 0.96 -0.54 0.00 0.00 175.26 175.86 2f08 s ILE 63 N 0.05 1.48 0.20 -3.70 -4.36 0.17 -5.00 121.20 110.05 2f08 s ILE 63 Ca -0.08 -1.85 -0.18 0.00 -0.26 0.00 0.00 60.65 58.28 2f08 s ILE 63 Cb -0.15 -1.69 0.03 0.00 1.25 0.00 0.00 42.46 41.90 2f08 s ILE 63 CO 0.05 -0.44 0.53 1.51 0.24 0.00 0.00 174.94 176.83 2f08 s ASP 64 N -2.66 -0.26 -0.31 4.36 -4.77 -1.26 -1.79 116.67 109.98 2f08 s ASP 64 Ca 0.13 -0.49 -0.04 0.00 -3.30 0.00 0.00 52.55 48.85 2f08 s ASP 64 Cb -0.04 0.59 0.04 0.00 -1.09 0.00 0.00 42.92 42.42 2f08 s ASP 64 CO 0.04 -1.07 0.04 -0.69 0.70 0.00 0.00 175.17 174.19 2f08 s VAL 65 N -3.88 3.36 0.50 2.11 1.01 -1.26 -5.09 120.40 117.15 2f08 s VAL 65 Ca 0.10 -1.21 -0.19 0.00 0.00 0.00 0.00 61.98 60.67 2f08 s VAL 65 Cb -0.01 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 2f08 s VAL 65 CO -0.02 -0.10 1.03 -2.16 0.00 0.00 0.00 175.10 173.85 2f08 s PRO 66 N 1.33 3.76 0.00 2.72 0.04 -1.26 -3.90 135.00 137.70 2f08 s PRO 66 Ca -0.03 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2f08 s PRO 66 Cb -0.19 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2f08 s PRO 66 CO 0.01 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.00 2f08 n GLY 67 N -0.43 0.74 3.89 0.56 0.00 -1.26 -5.05 105.19 103.63 2f08 n GLY 67 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 2f08 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f08 s ILE 68 N -2.49 4.90 -0.28 -0.61 -4.36 -1.25 -4.99 121.20 112.11 2f08 s ILE 68 Ca 0.00 0.35 -0.29 0.00 -0.26 0.00 0.00 60.65 60.45 2f08 s ILE 68 Cb 0.00 -3.74 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 2f08 s ILE 68 CO 0.00 -0.44 1.75 -0.62 0.24 0.00 0.00 174.94 175.87 2f08 s ASP 69 N -3.19 6.06 0.00 4.36 3.68 -1.26 -4.82 116.67 121.51 2f08 s ASP 69 Ca 0.48 1.45 0.17 0.00 2.13 0.00 0.00 52.55 56.78 2f08 s ASP 69 Cb -0.10 -2.53 0.37 0.00 -1.45 0.00 0.00 42.92 39.21 2f08 s ASP 69 CO 0.31 -1.54 1.29 0.35 0.13 0.00 0.00 175.17 175.71 2f08 n THR 70 N 7.06 0.68 -2.73 1.71 -2.24 -1.26 -4.87 114.28 112.62 2f08 n THR 70 Ca 0.22 -0.84 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 2f08 n THR 70 Cb 0.46 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 2f08 n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2f08 s ASN 71 N -1.15 6.19 0.64 3.42 3.04 -1.26 -0.94 114.94 124.88 2f08 s ASN 71 Ca 0.31 -0.82 0.41 0.00 0.04 0.00 0.00 52.86 52.80 2f08 s ASN 71 Cb 0.18 -2.48 2.24 0.00 -1.54 0.00 0.00 41.25 39.65 2f08 s ASN 71 CO 0.24 -1.59 2.33 0.00 -3.04 0.00 0.00 177.10 175.04 2f08 h ALA 72 N 9.73 1.12 0.00 1.71 0.00 0.08 -2.24 119.26 129.66 2f08 h ALA 72 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2f08 h ALA 72 Cb 1.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2f08 h ALA 72 CO 1.22 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.48 2f08 n HIS 74 N -1.00 0.00 0.02 0.00 8.25 -0.84 -4.19 115.22 117.46 2f08 n HIS 74 Ca 0.15 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.62 2f08 n HIS 74 Cb 0.07 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 2f08 n HIS 74 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2f08 n PHE 75 N -0.85 0.00 -4.10 4.41 3.72 -0.54 -5.04 117.46 115.06 2f08 n PHE 75 Ca 0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.39 2f08 n PHE 75 Cb 0.37 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 38.79 2f08 n PHE 75 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2f08 s VAL 76 N -1.73 0.47 -0.48 -4.37 -7.23 -0.93 -4.72 120.40 101.41 2f08 s VAL 76 Ca -0.00 -1.60 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 2f08 s VAL 76 Cb 0.01 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.71 2f08 s VAL 76 CO 0.05 -0.76 1.48 -0.54 -0.31 0.00 0.00 175.10 175.02 2f08 s LYS 77 N -3.09 3.37 0.25 4.82 -0.14 -1.26 -4.51 119.74 119.19 2f08 s LYS 77 Ca 0.03 0.76 0.06 0.00 -1.36 0.00 0.00 55.97 55.45 2f08 s LYS 77 Cb 0.01 -4.11 -0.03 0.00 -1.68 0.00 0.00 37.83 32.02 2f08 s LYS 77 CO -0.05 -1.83 0.29 0.00 -0.76 0.00 0.00 175.35 173.01 2f08 s PRO 79 N -3.93 2.70 0.31 0.00 0.04 -1.26 -5.12 135.00 127.74 2f08 s PRO 79 Ca 0.34 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.39 2f08 s PRO 79 Cb -0.08 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2f08 s PRO 79 CO 0.27 -1.30 0.82 -0.51 0.04 0.00 0.00 177.00 176.32 2f08 s LEU 80 N -5.31 4.20 -0.26 -3.56 1.43 -0.12 -4.92 118.68 110.14 2f08 s LEU 80 Ca 0.63 1.53 -0.06 0.00 -1.03 0.00 0.00 54.13 55.19 2f08 s LEU 80 Cb -0.17 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 2f08 s LEU 80 CO 0.48 -0.12 0.04 -0.69 0.23 0.00 0.00 176.35 176.30 2f08 s VAL 81 N -1.78 3.88 0.34 -1.59 1.01 -1.26 -2.73 120.40 118.28 2f08 s VAL 81 Ca 0.51 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2f08 s VAL 81 Cb -0.14 -2.90 -0.15 0.00 0.00 0.00 0.00 36.38 33.20 2f08 s VAL 81 CO 0.19 0.24 0.47 1.17 0.00 0.00 0.00 175.10 177.17 2f08 n LYS 82 N 4.86 0.36 0.00 2.72 4.81 -0.60 -1.46 118.16 128.85 2f08 n LYS 82 Ca -0.16 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2f08 n LYS 82 Cb 0.50 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2f08 n LYS 82 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2f08 n GLY 83 N 1.92 1.81 3.76 3.14 0.00 0.24 -4.93 105.19 111.13 2f08 n GLY 83 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2f08 n GLY 83 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f08 s GLN 84 N 0.00 3.46 -0.03 1.61 0.74 -0.53 -4.54 119.66 120.37 2f08 s GLN 84 Ca 0.00 1.98 -0.08 0.00 0.05 0.00 0.00 55.36 57.31 2f08 s GLN 84 Cb 0.00 -2.33 -0.05 0.00 1.10 0.00 0.00 33.01 31.74 2f08 s GLN 84 CO 0.00 -0.85 0.26 -1.14 -0.55 0.00 0.00 175.29 173.01 2f08 s GLN 85 N -2.81 3.60 0.10 1.67 0.74 -1.26 -0.55 119.66 121.16 2f08 s GLN 85 Ca 0.67 0.00 0.07 0.00 0.05 0.00 0.00 55.36 56.15 2f08 s GLN 85 Cb -0.34 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2f08 s GLN 85 CO 0.40 0.69 -0.17 0.71 -0.55 0.00 0.00 175.29 176.38 2f08 s TYR 86 N -1.19 1.50 -0.32 1.67 1.51 0.20 -4.96 117.35 115.75 2f08 s TYR 86 Ca 0.24 -0.47 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 2f08 s TYR 86 Cb -0.13 -0.81 0.10 0.00 -0.11 0.00 0.00 41.96 41.00 2f08 s TYR 86 CO 0.12 0.15 0.05 0.34 -1.11 0.00 0.00 175.55 175.11 2f08 s ASP 87 N -2.06 4.52 -0.17 2.29 2.15 -1.26 -0.99 116.67 121.14 2f08 s ASP 87 Ca 0.05 -1.95 -0.08 0.00 0.43 0.00 0.00 52.55 51.00 2f08 s ASP 87 Cb -0.08 -1.40 -0.04 0.00 -0.30 0.00 0.00 42.92 41.09 2f08 s ASP 87 CO 0.03 -0.38 0.10 -0.51 -0.17 0.00 0.00 175.17 174.24 2f08 s ILE 88 N 1.12 5.11 -0.18 4.11 2.07 -0.29 -4.93 121.20 128.20 2f08 s ILE 88 Ca 0.09 0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.38 2f08 s ILE 88 Cb -0.19 -3.29 -0.02 0.00 0.13 0.00 0.00 42.46 39.10 2f08 s ILE 88 CO -0.13 0.49 -0.05 -0.54 -1.91 0.00 0.00 174.94 172.80 2f08 s LYS 89 N 0.08 3.49 -0.02 3.50 1.02 -1.26 -0.92 119.74 125.63 2f08 s LYS 89 Ca 0.07 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2f08 s LYS 89 Cb -0.12 -2.92 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 2f08 s LYS 89 CO -0.00 0.02 -0.00 -0.47 -0.92 0.00 0.00 175.35 173.98 2f08 s TYR 90 N 0.91 0.26 -0.28 3.18 6.14 -0.31 -4.97 117.35 122.28 2f08 s TYR 90 Ca -0.01 -0.00 -0.08 0.00 0.64 0.00 0.00 57.07 57.62 2f08 s TYR 90 Cb -0.15 -0.32 -0.02 0.00 0.42 0.00 0.00 41.96 41.90 2f08 s TYR 90 CO 0.01 -0.09 0.11 0.99 0.64 0.00 0.00 175.55 177.21 2f08 s THR 91 N 0.72 4.47 -0.18 4.34 2.01 -1.26 -1.59 115.64 124.15 2f08 s THR 91 Ca -0.07 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 2f08 s THR 91 Cb -0.10 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2f08 s THR 91 CO -0.01 0.19 0.04 0.86 -0.69 0.00 0.00 174.62 175.01 2f08 s TRP 92 N 1.61 3.19 -0.48 4.92 -0.00 0.26 -4.90 118.94 123.54 2f08 s TRP 92 Ca 0.05 -0.04 -0.07 0.00 -0.00 0.00 0.00 56.10 56.04 2f08 s TRP 92 Cb -0.16 -2.06 0.13 0.00 -0.00 0.00 0.00 33.47 31.37 2f08 s TRP 92 CO 0.05 0.08 0.33 -0.80 -0.00 0.00 0.00 176.95 176.61 2f08 s ASN 93 N 0.44 5.55 -0.05 5.86 0.01 -1.26 0.66 114.94 126.15 2f08 s ASN 93 Ca 0.01 -2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 49.77 2f08 s ASN 93 Cb -0.13 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 2f08 s ASN 93 CO 0.01 -0.61 1.19 -0.69 -1.51 0.00 0.00 177.10 175.50 2f08 s VAL 94 N 1.08 4.27 0.72 1.60 1.01 -1.26 -4.97 120.40 122.85 2f08 s VAL 94 Ca 0.08 1.60 -0.12 0.00 0.00 0.00 0.00 61.98 63.53 2f08 s VAL 94 Cb -0.24 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2f08 s VAL 94 CO -0.02 0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.02 2f08 s PRO 95 N 2.15 2.49 0.55 2.72 0.04 -1.26 0.15 135.00 141.83 2f08 s PRO 95 Ca 0.56 1.27 0.25 0.00 0.04 0.00 0.00 61.00 63.11 2f08 s PRO 95 Cb -0.25 -1.92 1.54 0.00 0.04 0.00 0.00 34.50 33.92 2f08 s PRO 95 CO 0.22 -1.48 2.17 0.87 0.04 0.00 0.00 177.00 178.82 2f08 h LYS 96 N -0.63 0.00 0.00 4.56 1.57 -1.92 -2.06 116.57 118.10 2f08 h LYS 96 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2f08 h LYS 96 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2f08 h LYS 96 CO 0.52 0.05 0.00 0.97 -0.57 0.00 0.00 179.45 180.42 2f08 h ILE 97 N 0.00 0.00 -2.50 1.86 6.09 -1.97 -3.44 117.51 117.54 2f08 h ILE 97 Ca -0.00 -0.34 -0.58 0.00 -1.37 0.00 0.00 64.86 62.56 2f08 h ILE 97 Cb 0.10 1.21 0.07 0.00 0.47 0.00 0.00 36.82 38.67 2f08 h ILE 97 CO 0.01 0.00 0.68 0.00 -3.07 0.00 0.00 178.15 175.77 2f08 n ALA 98 N -1.94 1.17 -1.71 0.18 0.00 -0.77 -4.91 120.51 112.52 2f08 n ALA 98 Ca 0.01 0.43 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 2f08 n ALA 98 Cb 0.25 -2.30 0.01 0.00 0.00 0.00 0.00 19.45 17.40 2f08 n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2f08 s PRO 99 N 0.13 3.31 0.39 0.00 0.04 -1.26 -5.00 135.00 132.61 2f08 s PRO 99 Ca 0.73 1.49 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 2f08 s PRO 99 Cb -0.67 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.76 2f08 s PRO 99 CO 0.45 -0.86 0.89 0.15 0.04 0.00 0.00 177.00 177.67 2f08 s LYS 100 N -3.52 4.20 -0.22 4.56 1.02 -1.26 -4.84 119.74 119.68 2f08 s LYS 100 Ca 0.70 1.02 -0.28 0.00 0.02 0.00 0.00 55.97 57.43 2f08 s LYS 100 Cb -0.21 -2.31 0.12 0.00 -0.52 0.00 0.00 37.83 34.91 2f08 s LYS 100 CO 0.30 0.05 0.99 0.45 -0.92 0.00 0.00 175.35 176.22 2f08 s SER 101 N -2.15 -0.44 0.00 2.83 0.15 -0.38 -4.96 113.70 108.76 2f08 s SER 101 Ca 0.59 0.68 0.23 0.00 0.70 0.00 0.00 55.95 58.14 2f08 s SER 101 Cb -0.10 0.63 0.49 0.00 -1.71 0.00 0.00 66.02 65.33 2f08 s SER 101 CO 0.15 -0.26 1.43 -0.62 1.20 0.00 0.00 173.24 175.14 2f08 n GLU 102 N 1.52 2.34 -3.33 5.44 -0.58 -1.26 -0.62 120.64 124.15 2f08 n GLU 102 Ca -0.12 -2.02 -0.25 0.00 -0.42 0.00 0.00 57.16 54.34 2f08 n GLU 102 Cb 0.57 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 29.87 2f08 n GLU 102 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2f08 n ASN 103 N 1.24 1.07 -4.28 1.62 3.02 -1.26 -4.81 115.26 111.87 2f08 n ASN 103 Ca 0.19 -2.84 -0.32 0.00 -0.03 0.00 0.00 54.58 51.58 2f08 n ASN 103 Cb 0.55 -0.64 -0.16 0.00 -0.61 0.00 0.00 39.78 38.91 2f08 n ASN 103 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2f08 s VAL 104 N -1.28 2.12 -0.16 2.41 -7.23 -0.82 -3.99 120.40 111.44 2f08 s VAL 104 Ca 0.35 -1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 59.41 2f08 s VAL 104 Cb 0.13 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 2f08 s VAL 104 CO -0.11 0.57 0.06 -0.69 -0.31 0.00 0.00 175.10 174.62 2f08 s VAL 105 N -0.15 4.76 -0.19 1.32 1.01 -0.17 -1.43 120.40 125.55 2f08 s VAL 105 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2f08 s VAL 105 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.13 2f08 s VAL 105 CO 0.04 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.82 2f08 s VAL 106 N 0.05 2.76 -0.15 2.92 1.01 -0.10 -0.54 120.40 126.34 2f08 s VAL 106 Ca 0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2f08 s VAL 106 Cb -0.12 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2f08 s VAL 106 CO 0.01 0.49 -0.11 0.42 0.00 0.00 0.00 175.10 175.91 2f08 s THR 107 N 1.22 3.17 -0.16 3.92 -4.23 -0.49 -0.08 115.64 118.99 2f08 s THR 107 Ca 0.02 -0.61 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 2f08 s THR 107 Cb -0.14 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2f08 s THR 107 CO -0.05 0.51 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.83 2f08 s VAL 108 N 0.55 4.15 -0.03 2.29 1.01 0.10 -2.30 120.40 126.17 2f08 s VAL 108 Ca -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2f08 s VAL 108 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.41 2f08 s VAL 108 CO 0.03 0.48 -0.05 -0.75 0.00 0.00 0.00 175.10 174.82 2f08 s LYS 109 N 0.39 0.68 -0.04 2.72 2.20 0.05 -1.39 119.74 124.34 2f08 s LYS 109 Ca -0.02 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 2f08 s LYS 109 Cb -0.14 -0.69 -0.03 0.00 -1.51 0.00 0.00 37.83 35.46 2f08 s LYS 109 CO 0.02 -0.02 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.41 2f08 s LEU 110 N 0.60 3.12 -0.01 5.43 2.01 0.05 -0.05 118.68 129.82 2f08 s LEU 110 Ca -0.08 -0.08 0.02 0.00 0.01 0.00 0.00 54.13 54.01 2f08 s LEU 110 Cb -0.11 -1.71 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 2f08 s LEU 110 CO -0.00 0.34 -0.07 -0.63 1.01 0.00 0.00 176.35 176.99 2f08 s ILE 111 N -0.86 0.60 0.47 -0.59 1.09 0.19 -0.50 121.20 121.60 2f08 s ILE 111 Ca 0.14 -0.30 0.02 0.00 -1.10 0.00 0.00 60.65 59.42 2f08 s ILE 111 Cb -0.11 -0.53 -0.02 0.00 -1.06 0.00 0.00 42.46 40.74 2f08 s ILE 111 CO 0.03 0.18 0.04 -0.83 -0.10 0.00 0.00 174.94 174.27 2f08 s GLY 112 N 0.02 2.85 0.31 6.18 0.00 0.46 -0.14 107.32 116.99 2f08 s GLY 112 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2f08 s GLY 112 CO -0.00 -2.08 1.58 -0.55 0.00 0.00 0.00 173.10 172.06 2f08 h ASP 113 N 1.52 -0.37 -0.65 1.64 3.45 -1.89 -0.05 116.42 120.07 2f08 h ASP 113 Ca -0.41 0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.31 2f08 h ASP 113 Cb 1.30 0.44 0.00 0.00 -0.56 0.00 0.00 39.33 40.51 2f08 h ASP 113 CO 0.69 -0.33 0.00 0.59 -1.57 0.00 0.00 179.24 178.62 2f08 n ASN 114 N -5.44 4.66 0.00 6.45 4.13 -1.26 -5.06 115.26 118.74 2f08 n ASN 114 Ca 0.23 -2.40 0.00 0.00 1.68 0.00 0.00 54.58 54.09 2f08 n ASN 114 Cb 0.77 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 2f08 n ASN 114 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2f08 n GLY 115 N 1.19 0.52 3.65 7.41 0.00 -0.03 -5.06 105.19 112.88 2f08 n GLY 115 Ca 0.26 -2.16 -0.48 0.00 0.00 0.00 0.00 46.02 43.64 2f08 n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2f08 n VAL 116 N 3.39 0.07 -0.09 1.61 0.31 -1.26 -0.41 118.33 121.95 2f08 n VAL 116 Ca 0.00 -0.01 -0.22 0.00 -0.01 0.00 0.00 64.34 64.09 2f08 n VAL 116 Cb 0.00 -1.40 -0.12 0.00 -0.91 0.00 0.00 33.84 31.41 2f08 n VAL 116 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2f08 n LEU 117 N 3.62 1.99 -3.56 7.52 7.94 0.34 -4.79 117.00 130.06 2f08 n LEU 117 Ca 0.18 0.38 -0.13 0.00 -1.11 0.00 0.00 56.01 55.33 2f08 n LEU 117 Cb 0.26 -0.98 -0.05 0.00 0.53 0.00 0.00 43.42 43.19 2f08 n LEU 117 CO 0.65 0.39 0.27 0.00 -1.11 0.00 0.00 177.39 177.59 2f08 s ALA 118 N -2.41 -1.28 -0.23 1.96 0.00 -1.11 -4.63 121.76 114.06 2f08 s ALA 118 Ca -0.29 0.45 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 2f08 s ALA 118 Cb 0.07 0.52 0.11 0.00 0.00 0.00 0.00 23.12 23.82 2f08 s ALA 118 CO 0.61 -0.57 0.47 0.00 0.00 0.00 0.00 175.76 176.26 2f08 s ALA 120 N 2.67 0.85 -0.21 0.00 0.00 -0.49 -0.46 121.76 124.13 2f08 s ALA 120 Ca 0.01 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2f08 s ALA 120 Cb -0.13 -0.16 0.04 0.00 0.00 0.00 0.00 23.12 22.87 2f08 s ALA 120 CO -0.15 0.17 -0.14 0.42 0.00 0.00 0.00 175.76 176.07 2f08 s ILE 121 N -0.53 1.95 -0.48 0.00 1.01 0.13 -0.72 121.20 122.56 2f08 s ILE 121 Ca 0.01 -1.20 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 2f08 s ILE 121 Cb -0.05 -1.95 0.04 0.00 0.01 0.00 0.00 42.46 40.50 2f08 s ILE 121 CO 0.00 0.22 0.74 0.00 0.00 0.00 0.00 174.94 175.90 2f08 s ALA 122 N 1.26 3.30 -2.43 9.38 0.00 0.88 -0.57 121.76 133.59 2f08 s ALA 122 Ca -0.02 -1.27 0.25 0.00 0.00 0.00 0.00 51.96 50.92 2f08 s ALA 122 Cb -0.16 -3.45 0.93 0.00 0.00 0.00 0.00 23.12 20.44 2f08 s ALA 122 CO -0.09 -2.00 1.67 0.25 0.00 0.00 0.00 175.76 175.59 2f08 n THR 123 N 5.95 0.08 -1.43 0.00 -2.24 -1.26 -0.93 114.28 114.45 2f08 n THR 123 Ca -0.01 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.40 2f08 n THR 123 Cb 0.47 0.47 0.20 0.00 -2.10 0.00 0.00 70.33 69.37 2f08 n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2f08 n HIS 124 N 0.25 1.40 -2.26 4.78 8.25 -1.26 -4.75 115.22 121.63 2f08 n HIS 124 Ca 0.18 -1.66 -0.33 0.00 -0.26 0.00 0.00 57.72 55.65 2f08 n HIS 124 Cb 0.35 -0.57 -0.01 0.00 1.12 0.00 0.00 29.99 30.88 2f08 n HIS 124 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2f08 s GLY 125 N -2.36 2.20 -0.09 -1.41 0.00 -0.51 0.15 107.32 105.30 2f08 s GLY 125 Ca 0.47 0.38 -0.06 0.00 0.00 0.00 0.00 44.72 45.51 2f08 s GLY 125 CO 0.01 0.69 0.21 0.54 0.00 0.00 0.00 173.10 174.55 2f08 s LYS 126 N -3.87 0.20 -0.22 2.90 1.02 -0.32 -1.95 119.74 117.50 2f08 s LYS 126 Ca 0.63 0.39 -0.05 0.00 0.02 0.00 0.00 55.97 56.96 2f08 s LYS 126 Cb -0.14 -0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.13 2f08 s LYS 126 CO 0.31 -0.10 -0.00 0.42 -0.92 0.00 0.00 175.35 175.06 2f08 s ILE 127 N 0.69 3.81 0.20 2.17 1.01 0.20 0.89 121.20 130.17 2f08 s ILE 127 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2f08 s ILE 127 Cb -0.06 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2f08 s ILE 127 CO -0.04 0.40 0.21 0.54 0.00 0.00 0.00 174.94 176.06 2f08 n ARG 128 N 4.63 0.30 0.00 2.79 1.74 -0.70 -1.24 116.66 124.18 2f08 n ARG 128 Ca -0.17 -1.84 0.15 0.00 -0.77 0.00 0.00 57.85 55.21 2f08 n ARG 128 Cb 0.51 1.60 0.86 0.00 -1.02 0.00 0.00 32.46 34.42 2f08 n ARG 128 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86