#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa8 h PHE 2 N 0.00 0.00 -0.12 0.00 0.04 -1.99 -3.41 116.94 111.45 1sa8 h PHE 2 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1sa8 h PHE 2 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1sa8 h PHE 2 CO 0.00 0.20 0.04 0.16 -0.60 0.00 0.00 178.31 178.11 1sa8 s ASP 3 N -6.17 3.42 0.14 2.17 -4.77 -1.22 -4.02 116.67 106.22 1sa8 s ASP 3 Ca 0.03 -0.87 -0.25 0.00 -3.30 0.00 0.00 52.55 48.15 1sa8 s ASP 3 Cb 0.08 -2.59 0.07 0.00 -1.09 0.00 0.00 42.92 39.39 1sa8 s ASP 3 CO 0.65 -4.75 0.99 -0.83 0.70 0.00 0.00 175.17 171.94 1sa8 s GLY 4 N 8.79 -0.24 -0.23 2.12 0.00 -0.68 -4.95 107.32 112.13 1sa8 s GLY 4 Ca 0.83 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 45.60 1sa8 s GLY 4 CO 0.17 0.05 0.16 -0.51 0.00 0.00 0.00 173.10 172.98 1sa8 s THR 5 N -3.18 5.37 -0.32 0.90 -4.23 -1.26 -1.50 115.64 111.42 1sa8 s THR 5 Ca 0.13 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1sa8 s THR 5 Cb -0.01 -3.50 0.10 0.00 1.34 0.00 0.00 72.50 70.43 1sa8 s THR 5 CO 0.02 0.36 0.08 0.26 -0.54 0.00 0.00 174.62 174.80 1sa8 s TRP 6 N 0.92 2.47 0.11 3.99 0.52 -0.72 -1.06 118.94 125.16 1sa8 s TRP 6 Ca 0.08 -2.19 -0.26 0.00 0.02 0.00 0.00 56.10 53.75 1sa8 s TRP 6 Cb -0.13 -2.14 0.08 0.00 -1.15 0.00 0.00 33.47 30.12 1sa8 s TRP 6 CO 0.03 -0.90 1.00 0.21 0.02 0.00 0.00 176.95 177.32 1sa8 s LYS 7 N 1.35 1.03 -0.06 4.98 2.47 0.52 -4.29 119.74 125.74 1sa8 s LYS 7 Ca 0.10 -0.55 -0.05 0.00 -1.56 0.00 0.00 55.97 53.91 1sa8 s LYS 7 Cb -0.18 0.36 -0.04 0.00 -1.46 0.00 0.00 37.83 36.51 1sa8 s LYS 7 CO -0.18 -0.47 0.16 0.08 0.16 0.00 0.00 175.35 175.09 1sa8 s VAL 8 N -3.13 5.45 0.19 4.02 1.01 -1.26 -4.34 120.40 122.32 1sa8 s VAL 8 Ca 0.12 0.02 -0.32 0.00 0.00 0.00 0.00 61.98 61.79 1sa8 s VAL 8 Cb -0.00 -3.46 -0.15 0.00 0.00 0.00 0.00 36.38 32.77 1sa8 s VAL 8 CO 0.00 0.47 1.19 0.61 0.00 0.00 0.00 175.10 177.37 1sa8 n GLY 9 N 1.47 0.13 0.00 4.51 0.00 -1.26 -1.47 105.19 108.57 1sa8 n GLY 9 Ca -0.15 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1sa8 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa8 n GLY 10 N 2.00 2.68 3.80 -0.02 0.00 -1.26 -5.02 105.19 107.37 1sa8 n GLY 10 Ca 0.14 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1sa8 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sa8 s LEU 11 N 0.00 3.28 0.00 0.99 1.43 -0.55 -4.99 118.68 118.85 1sa8 s LEU 11 Ca 0.00 -0.86 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 1sa8 s LEU 11 Cb 0.00 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1sa8 s LEU 11 CO 0.00 -0.54 0.07 -1.59 0.23 0.00 0.00 176.35 174.52 1sa8 s LYS 12 N -3.99 0.35 -0.18 1.70 -2.85 -1.13 -4.47 119.74 109.17 1sa8 s LYS 12 Ca 0.43 -0.37 -0.15 0.00 -1.00 0.00 0.00 55.97 54.89 1sa8 s LYS 12 Cb -0.01 0.14 0.05 0.00 -2.06 0.00 0.00 37.83 35.95 1sa8 s LYS 12 CO 0.25 -0.07 0.46 -1.17 0.10 0.00 0.00 175.35 174.92 1sa8 s LEU 13 N -1.12 0.12 -0.14 2.77 0.20 -1.25 -1.22 118.68 118.05 1sa8 s LEU 13 Ca -0.12 0.94 -0.06 0.00 0.69 0.00 0.00 54.13 55.58 1sa8 s LEU 13 Cb -0.07 1.57 0.06 0.00 -0.43 0.00 0.00 46.19 47.31 1sa8 s LEU 13 CO 0.00 -0.17 0.31 -0.89 -0.29 0.00 0.00 176.35 175.32 1sa8 s THR 14 N 0.54 -0.18 0.06 3.68 2.01 -0.80 -1.75 115.64 119.19 1sa8 s THR 14 Ca -0.02 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.18 1sa8 s THR 14 Cb -0.04 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1sa8 s THR 14 CO -0.03 0.07 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.34 1sa8 s ILE 15 N 1.70 4.05 -0.09 1.82 1.09 -0.56 -0.17 121.20 129.04 1sa8 s ILE 15 Ca -0.06 -0.86 -0.23 0.00 -1.10 0.00 0.00 60.65 58.40 1sa8 s ILE 15 Cb -0.10 -2.89 0.05 0.00 -1.06 0.00 0.00 42.46 38.46 1sa8 s ILE 15 CO -0.10 0.21 0.54 -0.89 -0.10 0.00 0.00 174.94 174.60 1sa8 s THR 16 N -1.23 0.02 -0.06 2.92 2.01 -0.98 -1.69 115.64 116.62 1sa8 s THR 16 Ca 0.24 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1sa8 s THR 16 Cb -0.12 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.61 1sa8 s THR 16 CO 0.16 -0.07 0.12 0.00 -0.69 0.00 0.00 174.62 174.13 1sa8 s GLN 17 N -0.77 0.03 -0.95 4.92 0.00 -1.25 -1.67 119.66 119.97 1sa8 s GLN 17 Ca -0.08 0.41 -0.16 0.00 -0.00 0.00 0.00 55.36 55.53 1sa8 s GLN 17 Cb -0.03 -0.26 0.18 0.00 0.00 0.00 0.00 33.01 32.91 1sa8 s GLN 17 CO 0.06 -0.23 1.05 -1.83 0.00 0.00 0.00 175.29 174.33 1sa8 s GLU 18 N 1.63 3.73 5.49 9.60 -1.05 -1.17 -4.83 118.70 132.09 1sa8 s GLU 18 Ca -0.04 -2.25 0.00 0.00 -0.15 0.00 0.00 54.97 52.53 1sa8 s GLU 18 Cb -0.12 -4.74 0.00 0.00 -0.44 0.00 0.00 34.13 28.83 1sa8 s GLU 18 CO -0.05 -1.56 0.00 0.41 0.95 0.00 0.00 175.26 175.01 1sa8 n GLY 19 N 4.52 1.60 2.99 -3.83 0.00 -1.26 -3.79 105.19 105.43 1sa8 n GLY 19 Ca 0.22 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1sa8 n GLY 19 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sa8 s ASN 20 N -4.00 4.58 -0.30 1.61 -0.87 -1.26 -4.96 114.94 109.74 1sa8 s ASN 20 Ca 0.00 -2.53 -0.05 0.00 -1.57 0.00 0.00 52.86 48.71 1sa8 s ASN 20 Cb 0.00 -1.64 0.19 0.00 -0.02 0.00 0.00 41.25 39.78 1sa8 s ASN 20 CO 0.00 -0.32 0.84 -0.54 -2.57 0.00 0.00 177.10 174.51 1sa8 s LYS 21 N 0.38 0.35 -0.24 -0.60 -0.14 -1.25 -4.69 119.74 113.55 1sa8 s LYS 21 Ca 0.14 0.45 -0.08 0.00 -1.36 0.00 0.00 55.97 55.11 1sa8 s LYS 21 Cb -0.22 0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 36.12 1sa8 s LYS 21 CO -0.05 -0.54 0.10 -0.06 -0.76 0.00 0.00 175.35 174.04 1sa8 s PHE 22 N 2.90 3.15 -0.06 3.18 0.40 0.26 -3.05 117.98 124.76 1sa8 s PHE 22 Ca 0.15 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 1sa8 s PHE 22 Cb -0.08 -2.24 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1sa8 s PHE 22 CO -0.21 -0.20 -0.14 -0.08 0.70 0.00 0.00 175.22 175.30 1sa8 s THR 23 N 1.38 3.11 -0.13 0.64 -1.32 -0.67 -0.02 115.64 118.63 1sa8 s THR 23 Ca 0.06 -0.70 0.02 0.00 -1.21 0.00 0.00 61.69 59.85 1sa8 s THR 23 Cb -0.15 -2.23 -0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1sa8 s THR 23 CO 0.05 0.59 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.17 1sa8 s VAL 24 N -0.63 2.47 -0.43 5.08 1.01 0.69 -2.32 120.40 126.27 1sa8 s VAL 24 Ca 0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 1sa8 s VAL 24 Cb -0.11 -2.01 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1sa8 s VAL 24 CO 0.01 0.54 0.31 -0.75 0.00 0.00 0.00 175.10 175.21 1sa8 s LYS 25 N 0.57 2.88 -0.24 2.72 2.20 0.76 -0.58 119.74 128.04 1sa8 s LYS 25 Ca -0.11 -1.24 -0.05 0.00 -0.36 0.00 0.00 55.97 54.22 1sa8 s LYS 25 Cb -0.16 -3.96 -0.00 0.00 -1.51 0.00 0.00 37.83 32.19 1sa8 s LYS 25 CO 0.04 -0.89 -0.01 -2.00 -0.36 0.00 0.00 175.35 172.13 1sa8 s GLU 26 N 1.60 3.31 -0.19 4.03 2.56 0.32 -1.91 118.70 128.41 1sa8 s GLU 26 Ca 0.04 -0.68 0.01 0.00 0.00 0.00 0.00 54.97 54.33 1sa8 s GLU 26 Cb -0.22 -3.12 0.04 0.00 2.00 0.00 0.00 34.13 32.84 1sa8 s GLU 26 CO 0.07 -0.26 -0.11 -1.12 -0.56 0.00 0.00 175.26 173.27 1sa8 s SER 27 N 1.49 3.30 -0.14 -1.70 0.01 -0.36 -0.05 113.70 116.25 1sa8 s SER 27 Ca 0.05 -0.83 -0.17 0.00 1.31 0.00 0.00 55.95 56.31 1sa8 s SER 27 Cb -0.15 -1.24 0.04 0.00 0.21 0.00 0.00 66.02 64.88 1sa8 s SER 27 CO -0.01 -0.13 0.46 -0.44 0.41 0.00 0.00 173.24 173.53 1sa8 s SER 28 N 1.40 -0.46 0.00 2.44 0.01 -1.05 -2.82 113.70 113.22 1sa8 s SER 28 Ca -0.00 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1sa8 s SER 28 Cb -0.16 0.82 0.00 0.00 0.21 0.00 0.00 66.02 66.90 1sa8 s SER 28 CO -0.09 -0.24 0.00 -3.20 0.41 0.00 0.00 173.24 170.12 1sa8 n ASN 29 N 2.42 0.00 -2.51 2.44 5.15 -1.26 -2.73 115.26 118.77 1sa8 n ASN 29 Ca -0.15 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.79 1sa8 n ASN 29 Cb 0.57 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.85 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1sa8 n PHE 30 N 0.00 -0.98 -3.64 1.20 7.35 -1.26 -5.13 117.46 114.99 1sa8 n PHE 30 Ca 0.00 -1.00 -0.06 0.00 -0.76 0.00 0.00 57.45 55.63 1sa8 n PHE 30 Cb 0.00 1.23 -0.07 0.00 0.35 0.00 0.00 39.48 40.99 1sa8 n PHE 30 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1sa8 s ARG 31 N 0.08 0.52 -0.19 -4.13 3.03 -1.11 -5.14 118.95 112.00 1sa8 s ARG 31 Ca 0.08 0.81 -0.04 0.00 2.03 0.00 0.00 55.73 58.61 1sa8 s ARG 31 Cb 0.17 0.15 -0.02 0.00 -1.03 0.00 0.00 34.95 34.22 1sa8 s ARG 31 CO -0.04 -0.09 -0.02 1.21 -1.13 0.00 0.00 175.30 175.23 1sa8 s ASN 32 N 1.11 4.74 -0.09 -2.89 2.47 -1.25 -2.53 114.94 116.49 1sa8 s ASN 32 Ca -0.06 -0.21 -0.07 0.00 0.42 0.00 0.00 52.86 52.94 1sa8 s ASN 32 Cb -0.04 -1.80 0.03 0.00 -1.45 0.00 0.00 41.25 37.99 1sa8 s ASN 32 CO -0.13 0.08 0.23 -0.51 -3.72 0.00 0.00 177.10 173.05 1sa8 s ILE 33 N 0.88 -0.02 -0.08 -5.21 1.10 0.93 -4.97 121.20 113.85 1sa8 s ILE 33 Ca 0.00 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.18 1sa8 s ILE 33 Cb -0.14 -0.34 -0.04 0.00 0.15 0.00 0.00 42.46 42.09 1sa8 s ILE 33 CO 0.02 0.03 0.05 -1.81 -2.11 0.00 0.00 174.94 171.11 1sa8 s ASP 34 N 0.58 5.62 -0.14 4.50 1.11 -1.26 -0.52 116.67 126.55 1sa8 s ASP 34 Ca -0.04 0.23 -0.00 0.00 0.18 0.00 0.00 52.55 52.92 1sa8 s ASP 34 Cb -0.05 -1.65 0.03 0.00 1.07 0.00 0.00 42.92 42.31 1sa8 s ASP 34 CO -0.03 0.37 -0.08 -0.69 1.18 0.00 0.00 175.17 175.91 1sa8 s VAL 35 N -0.98 1.21 -0.10 -1.27 1.01 0.25 -4.92 120.40 115.60 1sa8 s VAL 35 Ca 0.16 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1sa8 s VAL 35 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1sa8 s VAL 35 CO 0.05 0.29 0.04 0.54 0.00 0.00 0.00 175.10 176.02 1sa8 s VAL 36 N 1.62 4.68 -0.07 2.92 0.11 -1.26 -0.23 120.40 128.16 1sa8 s VAL 36 Ca 0.03 -0.11 -0.16 0.00 -2.93 0.00 0.00 61.98 58.81 1sa8 s VAL 36 Cb -0.14 -2.99 0.03 0.00 -1.53 0.00 0.00 36.38 31.75 1sa8 s VAL 36 CO -0.09 0.61 0.39 0.72 -3.33 0.00 0.00 175.10 173.40 1sa8 s PHE 37 N -0.90 -0.34 -0.03 1.54 -0.12 0.97 -4.96 117.98 114.14 1sa8 s PHE 37 Ca 0.13 0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 57.69 1sa8 s PHE 37 Cb -0.12 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1sa8 s PHE 37 CO 0.03 -0.34 0.09 -1.21 -0.05 0.00 0.00 175.22 173.73 1sa8 s GLU 38 N -0.69 3.13 -0.20 1.99 2.02 -1.26 -0.57 118.70 123.12 1sa8 s GLU 38 Ca -0.08 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 1sa8 s GLU 38 Cb -0.04 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.23 1sa8 s GLU 38 CO 0.03 0.67 2.01 -0.51 0.02 0.00 0.00 175.26 177.49 1sa8 s LEU 39 N -1.56 3.67 -0.25 1.80 1.02 -1.26 -2.23 118.68 119.86 1sa8 s LEU 39 Ca 0.21 1.86 -0.01 0.00 0.02 0.00 0.00 54.13 56.21 1sa8 s LEU 39 Cb -0.12 -3.52 0.00 0.00 0.02 0.00 0.00 46.19 42.57 1sa8 s LEU 39 CO 0.12 -1.67 0.15 0.61 0.02 0.00 0.00 176.35 175.58 1sa8 n GLY 40 N 5.35 0.59 3.22 -3.19 0.00 0.14 -4.89 105.19 106.40 1sa8 n GLY 40 Ca 0.25 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.46 1sa8 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 41 N -2.84 1.50 -0.12 1.61 1.01 -0.95 -4.91 120.40 115.70 1sa8 s VAL 41 Ca 0.08 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1sa8 s VAL 41 Cb -0.03 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1sa8 s VAL 41 CO 0.09 0.12 0.10 1.51 0.00 0.00 0.00 175.10 176.93 1sa8 s ASP 42 N -1.23 6.07 -0.04 3.32 1.47 -1.26 -1.76 116.67 123.23 1sa8 s ASP 42 Ca 0.06 0.36 -0.28 0.00 1.18 0.00 0.00 52.55 53.86 1sa8 s ASP 42 Cb -0.09 -1.93 0.06 0.00 -0.34 0.00 0.00 42.92 40.62 1sa8 s ASP 42 CO 0.02 0.37 0.61 0.72 0.68 0.00 0.00 175.17 177.57 1sa8 s PHE 43 N -0.81 -0.57 -0.02 2.11 -0.71 0.42 -4.91 117.98 113.49 1sa8 s PHE 43 Ca 0.13 0.97 0.04 0.00 -1.04 0.00 0.00 56.93 57.03 1sa8 s PHE 43 Cb -0.12 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 42.01 1sa8 s PHE 43 CO 0.03 -0.57 -0.14 0.00 -1.34 0.00 0.00 175.22 173.21 1sa8 s ALA 44 N -1.21 2.72 -0.05 1.99 0.00 -1.26 -0.76 121.76 123.19 1sa8 s ALA 44 Ca -0.11 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.53 1sa8 s ALA 44 Cb -0.01 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1sa8 s ALA 44 CO 0.09 0.57 0.60 1.52 0.00 0.00 0.00 175.76 178.54 1sa8 s TYR 45 N -0.83 -0.56 -0.20 0.00 -0.85 -0.84 -4.97 117.35 109.10 1sa8 s TYR 45 Ca 0.13 0.97 -0.07 0.00 -0.52 0.00 0.00 57.07 57.58 1sa8 s TYR 45 Cb -0.11 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.54 1sa8 s TYR 45 CO 0.03 -0.56 0.05 0.45 -1.52 0.00 0.00 175.55 174.00 1sa8 s SER 46 N -1.18 5.33 -0.22 -0.18 0.15 -1.26 -0.75 113.70 115.59 1sa8 s SER 46 Ca -0.11 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.41 1sa8 s SER 46 Cb -0.01 -1.93 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1sa8 s SER 46 CO 0.09 0.09 0.07 -0.76 1.20 0.00 0.00 173.24 173.93 1sa8 s LEU 47 N 0.84 3.62 -1.44 3.45 1.43 0.11 -4.48 118.68 122.22 1sa8 s LEU 47 Ca 0.03 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1sa8 s LEU 47 Cb -0.14 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.16 1sa8 s LEU 47 CO 0.02 0.05 0.48 0.00 0.23 0.00 0.00 176.35 177.13 1sa8 n ALA 48 N 4.36 -0.97 -3.86 4.21 0.00 -1.26 -2.28 120.51 120.72 1sa8 n ALA 48 Ca -0.16 0.20 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1sa8 n ALA 48 Cb 0.52 -3.22 -0.00 0.00 0.00 0.00 0.00 19.45 16.75 1sa8 n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sa8 n ASP 49 N -2.35 -0.61 0.14 0.00 2.03 -1.26 -4.76 116.55 109.74 1sa8 n ASP 49 Ca -0.09 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1sa8 n ASP 49 Cb 0.60 -3.43 0.00 0.00 -0.72 0.00 0.00 41.12 37.57 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sa8 n GLY 50 N -1.83 -1.26 3.57 0.27 0.00 -0.97 -5.08 105.19 99.90 1sa8 n GLY 50 Ca -0.31 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1sa8 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sa8 s THR 51 N -2.00 4.86 -0.54 2.61 -4.23 -1.00 -4.82 115.64 110.52 1sa8 s THR 51 Ca 0.00 0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 61.06 1sa8 s THR 51 Cb 0.00 -4.10 0.14 0.00 1.34 0.00 0.00 72.50 69.88 1sa8 s THR 51 CO 0.00 -0.35 0.37 -1.61 -0.54 0.00 0.00 174.62 172.50 1sa8 s GLU 52 N 2.77 2.46 -0.23 3.99 2.02 -1.26 0.07 118.70 128.53 1sa8 s GLU 52 Ca 0.25 -2.14 -0.08 0.00 0.02 0.00 0.00 54.97 53.02 1sa8 s GLU 52 Cb -0.14 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 1sa8 s GLU 52 CO 0.15 -1.16 0.09 -0.51 0.02 0.00 0.00 175.26 173.86 1sa8 s LEU 53 N 0.63 3.71 -0.28 1.80 1.02 0.07 -3.92 118.68 121.71 1sa8 s LEU 53 Ca 0.12 -0.05 -0.08 0.00 0.02 0.00 0.00 54.13 54.14 1sa8 s LEU 53 Cb -0.22 -1.98 -0.01 0.00 0.02 0.00 0.00 46.19 44.00 1sa8 s LEU 53 CO -0.03 0.05 0.10 -0.89 0.02 0.00 0.00 176.35 175.59 1sa8 s THR 54 N 1.15 4.33 0.08 5.49 2.01 -0.56 -1.98 115.64 126.16 1sa8 s THR 54 Ca 0.05 -0.39 -0.27 0.00 0.31 0.00 0.00 61.69 61.39 1sa8 s THR 54 Cb -0.14 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.31 1sa8 s THR 54 CO 0.04 0.18 0.95 -0.83 -0.69 0.00 0.00 174.62 174.26 1sa8 s GLY 55 N 1.59 -0.34 -0.11 4.40 0.00 0.06 -1.10 107.32 111.82 1sa8 s GLY 55 Ca 0.05 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.26 1sa8 s GLY 55 CO 0.04 0.15 0.05 -1.08 0.00 0.00 0.00 173.10 172.27 1sa8 s THR 56 N -3.17 4.75 -0.14 0.90 -1.32 -1.07 -0.44 115.64 115.15 1sa8 s THR 56 Ca 0.09 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1sa8 s THR 56 Cb -0.01 -3.04 0.00 0.00 -1.51 0.00 0.00 72.50 67.94 1sa8 s THR 56 CO -0.03 0.59 -0.18 0.86 -2.21 0.00 0.00 174.62 173.65 1sa8 s TRP 57 N -0.75 2.72 -0.09 9.09 -0.11 -0.73 -2.26 118.94 126.82 1sa8 s TRP 57 Ca 0.12 -1.12 0.02 0.00 1.22 0.00 0.00 56.10 56.34 1sa8 s TRP 57 Cb -0.12 -1.84 -0.02 0.00 -1.50 0.00 0.00 33.47 29.99 1sa8 s TRP 57 CO 0.03 -0.50 -0.15 0.95 -4.62 0.00 0.00 176.95 172.66 1sa8 s THR 58 N 0.73 2.98 -0.16 5.86 -4.23 0.12 0.23 115.64 121.18 1sa8 s THR 58 Ca -0.08 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1sa8 s THR 58 Cb -0.16 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1sa8 s THR 58 CO 0.01 0.56 -0.16 -0.32 -0.54 0.00 0.00 174.62 174.16 1sa8 s MET 59 N -0.20 3.17 0.13 3.99 1.75 -1.26 -1.42 119.30 125.46 1sa8 s MET 59 Ca 0.00 -0.77 0.02 0.00 -1.25 0.00 0.00 55.69 53.70 1sa8 s MET 59 Cb -0.13 -2.61 -0.04 0.00 2.84 0.00 0.00 34.83 34.89 1sa8 s MET 59 CO 0.03 -0.03 0.24 -2.00 -0.65 0.00 0.00 175.02 172.61 1sa8 s GLU 60 N 0.91 3.32 0.36 4.11 -6.30 0.16 -4.94 118.70 116.33 1sa8 s GLU 60 Ca -0.04 -0.62 0.26 0.00 -2.50 0.00 0.00 54.97 52.07 1sa8 s GLU 60 Cb -0.15 -2.92 1.23 0.00 0.00 0.00 0.00 34.13 32.30 1sa8 s GLU 60 CO -0.02 0.53 1.31 0.41 0.02 0.00 0.00 175.26 177.52 1sa8 n GLY 61 N -0.32 -0.69 2.31 -1.50 0.00 -1.26 -0.41 105.19 103.32 1sa8 n GLY 61 Ca -0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1sa8 n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sa8 n ASN 62 N -4.47 1.57 -3.69 1.61 3.02 -1.26 -4.99 115.26 107.04 1sa8 n ASN 62 Ca 0.34 -2.16 -0.15 0.00 -0.03 0.00 0.00 54.58 52.58 1sa8 n ASN 62 Cb 1.28 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 39.88 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sa8 s LYS 63 N -2.57 0.07 -0.28 3.52 -0.14 0.46 -2.04 119.74 118.75 1sa8 s LYS 63 Ca 0.31 0.52 -0.03 0.00 -1.36 0.00 0.00 55.97 55.40 1sa8 s LYS 63 Cb 0.35 -0.22 0.03 0.00 -1.68 0.00 0.00 37.83 36.31 1sa8 s LYS 63 CO -0.08 -0.26 0.00 -0.51 -0.76 0.00 0.00 175.35 173.75 1sa8 s LEU 64 N 1.91 3.64 -0.00 3.17 1.43 0.13 0.39 118.68 129.34 1sa8 s LEU 64 Ca -0.01 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 1sa8 s LEU 64 Cb -0.12 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.37 1sa8 s LEU 64 CO -0.06 -0.20 0.00 -0.69 0.23 0.00 0.00 176.35 175.63 1sa8 s VAL 65 N 1.34 0.03 0.00 -1.59 1.01 -0.50 -0.19 120.40 120.50 1sa8 s VAL 65 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1sa8 s VAL 65 Cb -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1sa8 s VAL 65 CO -0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1sa8 n GLY 66 N 3.28 3.13 3.56 4.51 0.00 -1.24 0.16 105.19 118.59 1sa8 n GLY 66 Ca -0.15 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.14 1sa8 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sa8 s LYS 67 N 1.20 0.45 0.02 1.61 2.20 -0.96 -4.78 119.74 119.49 1sa8 s LYS 67 Ca 0.00 0.99 0.04 0.00 -0.36 0.00 0.00 55.97 56.64 1sa8 s LYS 67 Cb 0.00 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.75 1sa8 s LYS 67 CO 0.00 -0.13 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.69 1sa8 s PHE 68 N 2.23 0.99 -0.20 4.03 0.40 -1.19 -2.59 117.98 121.66 1sa8 s PHE 68 Ca -0.06 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1sa8 s PHE 68 Cb -0.07 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 1sa8 s PHE 68 CO -0.18 0.00 -0.04 0.21 0.70 0.00 0.00 175.22 175.92 1sa8 s LYS 69 N -0.89 3.49 -0.35 0.44 2.20 -0.25 -1.19 119.74 123.18 1sa8 s LYS 69 Ca 0.00 -0.59 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1sa8 s LYS 69 Cb -0.07 -2.98 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1sa8 s LYS 69 CO 0.01 -0.04 0.08 0.50 -0.36 0.00 0.00 175.35 175.53 1sa8 s ARG 70 N 1.09 1.62 0.40 4.03 3.52 -1.25 -1.49 118.95 126.87 1sa8 s ARG 70 Ca 0.01 -1.84 0.08 0.00 -0.13 0.00 0.00 55.73 53.85 1sa8 s ARG 70 Cb -0.15 -3.28 0.84 0.00 -1.56 0.00 0.00 34.95 30.81 1sa8 s ARG 70 CO 0.00 -0.95 1.99 -0.39 -0.81 0.00 0.00 175.30 175.14 1sa8 h VAL 71 N 6.56 1.13 0.00 7.11 -1.51 -1.88 0.30 116.25 127.96 1sa8 h VAL 71 Ca -0.07 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 1sa8 h VAL 71 Cb 1.03 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1sa8 h VAL 71 CO 0.56 0.16 -0.03 -0.67 -1.23 0.00 0.00 177.57 176.36 1sa8 n ASP 72 N -4.39 5.18 0.08 4.19 -0.08 -1.26 -4.17 116.55 116.10 1sa8 n ASP 72 Ca 0.01 -2.37 0.00 0.00 -1.51 0.00 0.00 54.79 50.92 1sa8 n ASP 72 Cb 0.16 -1.12 0.00 0.00 2.34 0.00 0.00 41.12 42.50 1sa8 n ASP 72 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1sa8 n ASN 73 N 1.60 -1.46 -1.40 1.67 5.15 -1.18 -5.01 115.26 114.63 1sa8 n ASN 73 Ca 0.03 0.53 -0.03 0.00 -0.60 0.00 0.00 54.58 54.51 1sa8 n ASN 73 Cb 0.52 1.62 0.01 0.00 -0.53 0.00 0.00 39.78 41.39 1sa8 n ASN 73 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sa8 n GLY 74 N -1.28 0.48 1.42 8.20 0.00 -1.10 -5.02 105.19 107.89 1sa8 n GLY 74 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1sa8 n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sa8 n LYS 75 N -0.41 -1.31 -3.15 1.61 2.85 0.10 -4.81 118.16 113.04 1sa8 n LYS 75 Ca -0.15 0.18 0.04 0.00 -1.05 0.00 0.00 58.31 57.33 1sa8 n LYS 75 Cb 0.62 -4.31 -0.01 0.00 -0.65 0.00 0.00 35.03 30.69 1sa8 n LYS 75 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1sa8 s GLU 76 N -2.65 0.43 -0.08 -1.58 2.02 -1.26 -4.00 118.70 111.58 1sa8 s GLU 76 Ca 0.00 0.57 -0.01 0.00 0.02 0.00 0.00 54.97 55.55 1sa8 s GLU 76 Cb 0.00 0.29 0.03 0.00 0.10 0.00 0.00 34.13 34.55 1sa8 s GLU 76 CO 0.00 -0.66 -0.01 -1.17 0.02 0.00 0.00 175.26 173.45 1sa8 s LEU 77 N 2.88 0.69 -0.02 1.80 2.96 -0.33 -2.91 118.68 123.75 1sa8 s LEU 77 Ca 0.15 -0.15 0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1sa8 s LEU 77 Cb -0.10 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 1sa8 s LEU 77 CO -0.22 -0.19 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.78 1sa8 s ILE 78 N 1.93 1.69 -0.18 6.68 1.01 0.81 -3.14 121.20 130.00 1sa8 s ILE 78 Ca 0.05 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 1sa8 s ILE 78 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1sa8 s ILE 78 CO -0.06 0.48 -0.04 0.00 0.00 0.00 0.00 174.94 175.32 1sa8 s ALA 79 N -0.41 2.91 -0.02 9.38 0.00 -1.25 0.93 121.76 133.30 1sa8 s ALA 79 Ca 0.06 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1sa8 s ALA 79 Cb -0.09 -1.61 0.03 0.00 0.00 0.00 0.00 23.12 21.45 1sa8 s ALA 79 CO -0.00 -0.05 0.04 0.08 0.00 0.00 0.00 175.76 175.83 1sa8 s VAL 80 N 0.83 -0.05 -0.21 0.00 1.01 -0.93 -3.69 120.40 117.36 1sa8 s VAL 80 Ca -0.01 0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1sa8 s VAL 80 Cb -0.15 -0.09 0.11 0.00 0.00 0.00 0.00 36.38 36.25 1sa8 s VAL 80 CO 0.02 0.07 0.93 -0.60 0.00 0.00 0.00 175.10 175.52 1sa8 s ARG 81 N 0.90 0.66 0.29 2.72 6.06 0.74 -3.73 118.95 126.59 1sa8 s ARG 81 Ca -0.07 0.45 0.07 0.00 -2.50 0.00 0.00 55.73 53.67 1sa8 s ARG 81 Cb -0.11 0.32 -0.03 0.00 0.06 0.00 0.00 34.95 35.19 1sa8 s ARG 81 CO -0.03 -0.15 0.28 -1.83 -2.50 0.00 0.00 175.30 171.08 1sa8 s GLU 82 N -0.40 2.93 -0.25 5.12 -1.05 -1.26 0.17 118.70 123.96 1sa8 s GLU 82 Ca -0.01 -1.10 -0.09 0.00 -0.15 0.00 0.00 54.97 53.61 1sa8 s GLU 82 Cb -0.03 -2.60 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1sa8 s GLU 82 CO -0.00 0.25 0.14 0.42 0.95 0.00 0.00 175.26 177.01 1sa8 s ILE 83 N -2.18 4.96 -0.21 1.83 -1.09 -0.87 -4.59 121.20 119.06 1sa8 s ILE 83 Ca 0.37 0.05 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1sa8 s ILE 83 Cb -0.07 -3.33 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1sa8 s ILE 83 CO 0.27 0.31 -0.09 -0.94 -1.23 0.00 0.00 174.94 173.27 1sa8 s SER 84 N 1.46 3.99 1.70 3.58 1.04 -1.26 -4.95 113.70 119.27 1sa8 s SER 84 Ca 0.06 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1sa8 s SER 84 Cb -0.15 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1sa8 s SER 84 CO 0.07 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1sa8 n GLY 85 N 4.70 3.45 3.11 7.32 0.00 -1.26 -3.07 105.19 119.43 1sa8 n GLY 85 Ca -0.19 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 1sa8 n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sa8 s ASN 86 N -4.00 5.26 0.01 1.61 0.01 -1.26 -5.01 114.94 111.57 1sa8 s ASN 86 Ca 0.00 -2.46 -0.29 0.00 -0.71 0.00 0.00 52.86 49.40 1sa8 s ASN 86 Cb 0.00 -1.85 0.10 0.00 0.41 0.00 0.00 41.25 39.91 1sa8 s ASN 86 CO 0.00 -0.46 1.06 -1.83 -1.51 0.00 0.00 177.10 174.36 1sa8 s GLU 87 N 0.52 0.76 -0.03 -0.60 -1.05 -1.18 -2.85 118.70 114.27 1sa8 s GLU 87 Ca 0.13 -0.37 -0.00 0.00 -0.15 0.00 0.00 54.97 54.57 1sa8 s GLU 87 Cb -0.22 0.29 0.03 0.00 -0.44 0.00 0.00 34.13 33.80 1sa8 s GLU 87 CO -0.04 -0.34 0.03 -1.17 0.95 0.00 0.00 175.26 174.69 1sa8 s LEU 88 N -2.70 0.88 0.29 1.83 2.96 -0.87 -4.10 118.68 116.96 1sa8 s LEU 88 Ca 0.10 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 54.11 1sa8 s LEU 88 Cb 0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 1sa8 s LEU 88 CO -0.03 -0.15 0.26 -0.63 -1.32 0.00 0.00 176.35 174.48 1sa8 s ILE 89 N 1.33 4.14 -0.13 6.68 -1.09 -1.26 -1.76 121.20 129.11 1sa8 s ILE 89 Ca -0.06 -1.34 -0.04 0.00 -2.23 0.00 0.00 60.65 56.99 1sa8 s ILE 89 Cb -0.13 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.46 1sa8 s ILE 89 CO -0.03 -0.27 0.15 -1.58 -1.23 0.00 0.00 174.94 171.98 1sa8 s GLN 90 N -3.93 0.07 -0.20 2.79 2.00 -0.86 -4.85 119.66 114.68 1sa8 s GLN 90 Ca 0.37 0.31 -0.05 0.00 -2.00 0.00 0.00 55.36 53.99 1sa8 s GLN 90 Cb -0.07 -0.87 -0.02 0.00 0.80 0.00 0.00 33.01 32.84 1sa8 s GLN 90 CO 0.26 -0.48 -0.00 0.99 -0.50 0.00 0.00 175.29 175.56 1sa8 s THR 91 N 2.26 3.94 -0.37 -0.34 2.01 -1.24 -1.75 115.64 120.14 1sa8 s THR 91 Ca 0.04 -0.32 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 1sa8 s THR 91 Cb -0.14 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.62 1sa8 s THR 91 CO -0.08 0.43 0.21 -0.31 -0.69 0.00 0.00 174.62 174.18 1sa8 s TYR 92 N 0.98 3.24 -0.32 4.92 1.51 0.12 -2.20 117.35 125.61 1sa8 s TYR 92 Ca 0.01 -0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 55.03 1sa8 s TYR 92 Cb -0.14 -2.44 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 1sa8 s TYR 92 CO 0.02 -0.64 0.18 0.99 -1.11 0.00 0.00 175.55 174.99 1sa8 s THR 93 N 1.56 4.80 -0.14 -0.71 2.01 0.26 -2.16 115.64 121.26 1sa8 s THR 93 Ca 0.02 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1sa8 s THR 93 Cb -0.19 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 68.87 1sa8 s THR 93 CO 0.07 0.04 -0.21 -0.47 -0.69 0.00 0.00 174.62 173.35 1sa8 s TYR 94 N 1.64 2.62 0.00 4.92 5.04 -0.88 -0.13 117.35 130.56 1sa8 s TYR 94 Ca 0.05 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.34 1sa8 s TYR 94 Cb -0.17 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.35 1sa8 s TYR 94 CO 0.08 -0.62 0.00 -1.91 -1.34 0.00 0.00 175.55 171.76 1sa8 n GLU 95 N 4.12 0.00 -1.12 4.97 0.00 -1.14 -1.95 120.64 125.52 1sa8 n GLU 95 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 56.93 1sa8 n GLU 95 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.95 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1sa8 n GLY 96 N 0.00 0.15 3.01 8.31 0.00 -1.26 -5.12 105.19 110.28 1sa8 n GLY 96 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1sa8 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 97 N 0.02 1.02 -0.23 1.61 1.01 -0.82 -5.12 120.40 117.89 1sa8 s VAL 97 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1sa8 s VAL 97 Cb 0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1sa8 s VAL 97 CO -0.02 0.33 0.08 -1.61 0.00 0.00 0.00 175.10 173.88 1sa8 s GLU 98 N 0.60 3.79 -0.07 2.72 8.01 -1.26 -2.07 118.70 130.42 1sa8 s GLU 98 Ca -0.12 -0.42 0.04 0.00 0.01 0.00 0.00 54.97 54.48 1sa8 s GLU 98 Cb -0.14 -3.31 -0.00 0.00 -4.31 0.00 0.00 34.13 26.36 1sa8 s GLU 98 CO 0.03 -0.03 -0.21 0.00 0.01 0.00 0.00 175.26 175.06 1sa8 s ALA 99 N 1.19 1.90 -0.02 5.21 0.00 -0.92 -4.98 121.76 124.15 1sa8 s ALA 99 Ca 0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1sa8 s ALA 99 Cb -0.14 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1sa8 s ALA 99 CO 0.04 0.30 0.04 -1.59 0.00 0.00 0.00 175.76 174.54 1sa8 s LYS 100 N 0.19 0.02 0.02 0.00 -2.85 -1.26 0.15 119.74 116.02 1sa8 s LYS 100 Ca -0.11 0.09 0.01 0.00 -1.00 0.00 0.00 55.97 54.96 1sa8 s LYS 100 Cb -0.15 -0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.53 1sa8 s LYS 100 CO 0.05 -0.05 0.08 0.50 0.10 0.00 0.00 175.35 176.03 1sa8 s ARG 101 N 0.30 3.00 -0.19 1.78 3.52 -0.72 -4.92 118.95 121.72 1sa8 s ARG 101 Ca -0.02 -0.56 -0.08 0.00 -0.13 0.00 0.00 55.73 54.94 1sa8 s ARG 101 Cb -0.04 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.50 1sa8 s ARG 101 CO -0.01 0.62 0.07 0.42 -0.81 0.00 0.00 175.30 175.59 1sa8 s ILE 102 N -1.25 4.88 0.19 4.11 1.09 -1.26 -2.03 121.20 126.92 1sa8 s ILE 102 Ca 0.25 -0.00 0.01 0.00 -1.10 0.00 0.00 60.65 59.81 1sa8 s ILE 102 Cb -0.12 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.03 1sa8 s ILE 102 CO 0.16 0.45 0.03 -0.36 -0.10 0.00 0.00 174.94 175.13 1sa8 s PHE 103 N 0.40 1.25 0.05 3.97 0.08 -0.72 -4.88 117.98 118.13 1sa8 s PHE 103 Ca 0.04 -1.08 -0.02 0.00 0.12 0.00 0.00 56.93 55.98 1sa8 s PHE 103 Cb -0.12 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1sa8 s PHE 103 CO 0.00 -0.28 0.01 -1.59 -0.10 0.00 0.00 175.22 173.26 1sa8 s LYS 104 N -3.96 0.63 0.26 0.44 0.00 -1.26 -2.05 119.74 113.80 1sa8 s LYS 104 Ca 0.27 -1.14 -0.31 0.00 0.00 0.00 0.00 55.97 54.79 1sa8 s LYS 104 Cb 0.07 0.23 -0.13 0.00 0.00 0.00 0.00 37.83 38.00 1sa8 s LYS 104 CO 0.06 -0.13 1.50 1.17 0.00 0.00 0.00 175.35 177.94 1sa8 n LYS 105 N 0.16 2.33 0.00 1.78 3.00 -1.13 -0.36 118.16 123.94 1sa8 n LYS 105 Ca -0.15 0.83 0.12 0.00 -0.00 0.00 0.00 58.31 59.11 1sa8 n LYS 105 Cb 0.61 -2.55 0.72 0.00 0.00 0.00 0.00 35.03 33.81 1sa8 n LYS 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49