#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa8 n PHE 2 N 0.00 0.00 -3.26 0.00 3.01 -1.26 -4.93 117.46 111.01 1sa8 n PHE 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.31 1sa8 n PHE 2 Cb 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1sa8 n PHE 2 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1sa8 n ASP 3 N 0.00 -4.81 -3.73 4.37 2.03 0.10 -5.00 116.55 109.51 1sa8 n ASP 3 Ca 0.00 -0.65 -0.07 0.00 0.52 0.00 0.00 54.79 54.58 1sa8 n ASP 3 Cb 0.00 -5.03 -0.02 0.00 -0.72 0.00 0.00 41.12 35.35 1sa8 n ASP 3 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sa8 s GLY 4 N -3.73 -0.24 -0.21 0.27 0.00 -0.87 -4.98 107.32 97.55 1sa8 s GLY 4 Ca 0.28 0.01 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 1sa8 s GLY 4 CO 0.71 0.00 0.12 -0.51 0.00 0.00 0.00 173.10 173.43 1sa8 s THR 5 N -3.71 5.25 -0.28 0.90 -4.23 -1.26 -1.82 115.64 110.48 1sa8 s THR 5 Ca 0.09 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.74 1sa8 s THR 5 Cb -0.04 -3.41 0.08 0.00 1.34 0.00 0.00 72.50 70.48 1sa8 s THR 5 CO 0.01 0.42 0.04 0.26 -0.54 0.00 0.00 174.62 174.80 1sa8 s TRP 6 N 0.58 2.32 0.12 3.99 0.52 0.15 -1.29 118.94 125.33 1sa8 s TRP 6 Ca 0.07 -1.95 -0.26 0.00 0.02 0.00 0.00 56.10 53.98 1sa8 s TRP 6 Cb -0.12 -1.89 0.07 0.00 -1.15 0.00 0.00 33.47 30.38 1sa8 s TRP 6 CO 0.00 -0.84 0.92 0.21 0.02 0.00 0.00 176.95 177.26 1sa8 s LYS 7 N 1.41 1.13 -0.06 4.98 2.47 0.12 -4.07 119.74 125.72 1sa8 s LYS 7 Ca 0.04 -0.57 -0.03 0.00 -1.56 0.00 0.00 55.97 53.85 1sa8 s LYS 7 Cb -0.18 0.42 -0.04 0.00 -1.46 0.00 0.00 37.83 36.57 1sa8 s LYS 7 CO -0.14 -0.51 0.08 0.08 0.16 0.00 0.00 175.35 175.02 1sa8 s VAL 8 N -3.29 4.89 0.34 4.02 1.01 -1.26 -4.51 120.40 121.59 1sa8 s VAL 8 Ca 0.10 -0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 1sa8 s VAL 8 Cb -0.01 -3.15 -0.13 0.00 0.00 0.00 0.00 36.38 33.08 1sa8 s VAL 8 CO -0.01 0.50 1.01 0.61 0.00 0.00 0.00 175.10 177.21 1sa8 n GLY 9 N 1.69 -0.24 0.00 4.51 0.00 -1.26 -2.96 105.19 106.93 1sa8 n GLY 9 Ca -0.17 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.20 1.91 3.17 -0.02 0.00 -1.26 -5.03 105.19 105.16 1sa8 n GLY 10 Ca 0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1sa8 n GLY 10 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sa8 s LEU 11 N 0.00 1.92 0.02 0.99 2.34 -1.15 -4.87 118.68 117.93 1sa8 s LEU 11 Ca 0.00 -1.19 -0.00 0.00 0.06 0.00 0.00 54.13 53.00 1sa8 s LEU 11 Cb 0.00 0.18 -0.02 0.00 -0.56 0.00 0.00 46.19 45.79 1sa8 s LEU 11 CO 0.00 -0.67 -0.03 -1.59 -1.06 0.00 0.00 176.35 173.00 1sa8 s LYS 12 N -4.00 0.34 -0.05 1.48 -2.85 -1.26 -4.41 119.74 108.98 1sa8 s LYS 12 Ca 0.23 -0.67 -0.03 0.00 -1.00 0.00 0.00 55.97 54.51 1sa8 s LYS 12 Cb 0.07 0.12 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 1sa8 s LYS 12 CO 0.02 -0.06 0.12 -1.17 0.10 0.00 0.00 175.35 174.36 1sa8 s LEU 13 N -1.60 1.05 -0.04 2.77 0.20 -1.23 -3.29 118.68 116.54 1sa8 s LEU 13 Ca -0.14 0.24 0.01 0.00 0.69 0.00 0.00 54.13 54.93 1sa8 s LEU 13 Cb -0.08 0.31 0.02 0.00 -0.43 0.00 0.00 46.19 46.01 1sa8 s LEU 13 CO -0.02 -0.11 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.02 1sa8 s THR 14 N 0.80 0.35 -0.11 3.68 2.01 -0.78 -0.67 115.64 120.92 1sa8 s THR 14 Ca -0.06 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1sa8 s THR 14 Cb -0.08 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.03 1sa8 s THR 14 CO -0.04 0.18 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.28 1sa8 s ILE 15 N 0.93 1.58 0.03 1.82 1.01 -0.76 0.19 121.20 126.00 1sa8 s ILE 15 Ca -0.11 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1sa8 s ILE 15 Cb -0.14 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1sa8 s ILE 15 CO -0.01 0.46 -0.07 -0.89 0.00 0.00 0.00 174.94 174.43 1sa8 s THR 16 N 0.93 0.51 0.23 2.92 2.01 -0.97 0.02 115.64 121.29 1sa8 s THR 16 Ca -0.07 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1sa8 s THR 16 Cb -0.15 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 71.77 1sa8 s THR 16 CO -0.01 -0.23 -0.02 0.00 -0.69 0.00 0.00 174.62 173.67 1sa8 s GLN 17 N -1.14 1.36 -0.45 4.92 1.03 -1.26 -1.59 119.66 122.53 1sa8 s GLN 17 Ca -0.06 -1.68 0.05 0.00 0.04 0.00 0.00 55.36 53.71 1sa8 s GLN 17 Cb -0.08 -0.71 0.19 0.00 0.03 0.00 0.00 33.01 32.44 1sa8 s GLN 17 CO 0.00 -0.06 0.51 -0.85 -2.54 0.00 0.00 175.29 172.35 1sa8 n GLU 18 N -0.43 0.38 0.00 9.60 0.28 -1.15 -4.95 120.64 124.37 1sa8 n GLU 18 Ca -0.05 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.19 1sa8 n GLU 18 Cb 0.64 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.96 1sa8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sa8 n GLY 19 N 2.64 1.61 2.71 -1.84 0.00 -1.26 -4.08 105.19 104.97 1sa8 n GLY 19 Ca 0.24 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 3.85 -0.30 1.61 0.01 -1.26 -5.01 114.94 109.85 1sa8 s ASN 20 Ca 0.00 -1.97 -0.08 0.00 -0.71 0.00 0.00 52.86 50.10 1sa8 s ASN 20 Cb 0.00 -0.89 0.18 0.00 0.41 0.00 0.00 41.25 40.96 1sa8 s ASN 20 CO 0.00 -0.36 0.90 -0.75 -1.51 0.00 0.00 177.10 175.38 1sa8 s LYS 21 N 1.20 0.30 -0.15 -0.60 2.20 -1.26 -4.18 119.74 117.26 1sa8 s LYS 21 Ca 0.13 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.15 1sa8 s LYS 21 Cb -0.20 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1sa8 s LYS 21 CO -0.16 -0.41 -0.02 -0.06 -0.36 0.00 0.00 175.35 174.35 1sa8 s PHE 22 N 2.92 3.07 -0.05 4.03 0.40 -0.49 -2.91 117.98 124.95 1sa8 s PHE 22 Ca 0.11 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1sa8 s PHE 22 Cb -0.09 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 1sa8 s PHE 22 CO -0.17 0.03 -0.13 -0.08 0.70 0.00 0.00 175.22 175.57 1sa8 s THR 23 N 0.27 3.18 -0.11 0.64 -1.32 -0.62 -1.91 115.64 115.76 1sa8 s THR 23 Ca -0.02 -0.68 0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1sa8 s THR 23 Cb -0.14 -2.25 0.01 0.00 -1.51 0.00 0.00 72.50 68.61 1sa8 s THR 23 CO 0.02 0.59 -0.21 -0.69 -2.21 0.00 0.00 174.62 172.12 1sa8 s VAL 24 N -0.73 1.91 -0.46 5.08 1.01 0.19 -2.29 120.40 125.11 1sa8 s VAL 24 Ca 0.11 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1sa8 s VAL 24 Cb -0.11 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.68 1sa8 s VAL 24 CO 0.01 0.52 0.35 -0.75 0.00 0.00 0.00 175.10 175.23 1sa8 s LYS 25 N 0.61 2.80 0.36 2.72 2.20 0.13 -0.12 119.74 128.44 1sa8 s LYS 25 Ca -0.13 -1.44 0.07 0.00 -0.36 0.00 0.00 55.97 54.11 1sa8 s LYS 25 Cb -0.17 -3.99 -0.01 0.00 -1.51 0.00 0.00 37.83 32.15 1sa8 s LYS 25 CO 0.04 -1.03 0.40 -1.21 -0.36 0.00 0.00 175.35 173.19 1sa8 s GLU 26 N 1.54 2.83 -0.27 4.03 0.41 -0.48 -1.87 118.70 124.90 1sa8 s GLU 26 Ca 0.04 -1.24 -0.05 0.00 -0.41 0.00 0.00 54.97 53.31 1sa8 s GLU 26 Cb -0.24 -2.61 0.15 0.00 -1.78 0.00 0.00 34.13 29.64 1sa8 s GLU 26 CO 0.04 -0.02 0.53 -1.12 -0.49 0.00 0.00 175.26 174.20 1sa8 s SER 27 N -4.13 -0.75 -0.27 -0.19 0.01 -1.21 -0.01 113.70 107.16 1sa8 s SER 27 Ca 0.45 0.91 -0.01 0.00 1.31 0.00 0.00 55.95 58.61 1sa8 s SER 27 Cb -0.07 1.81 0.13 0.00 0.21 0.00 0.00 66.02 68.10 1sa8 s SER 27 CO 0.29 -0.25 0.31 -0.44 0.41 0.00 0.00 173.24 173.56 1sa8 s SER 28 N 2.75 1.19 0.00 2.44 0.01 -1.26 -4.43 113.70 114.40 1sa8 s SER 28 Ca 0.09 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1sa8 s SER 28 Cb -0.14 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1sa8 s SER 28 CO -0.18 -0.36 0.00 -3.20 0.41 0.00 0.00 173.24 169.91 1sa8 n ASN 29 N 5.33 0.00 0.06 2.44 4.05 -1.26 -4.74 115.26 121.14 1sa8 n ASN 29 Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1sa8 n ASN 29 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1sa8 n PHE 30 N 0.00 -0.63 -3.15 1.20 3.01 -1.26 -5.03 117.46 111.60 1sa8 n PHE 30 Ca 0.00 0.11 0.05 0.00 1.01 0.00 0.00 57.45 58.62 1sa8 n PHE 30 Cb 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1sa8 n PHE 30 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1sa8 s ARG 31 N -2.00 0.27 -0.30 -1.08 3.03 -1.26 -4.77 118.95 112.84 1sa8 s ARG 31 Ca 0.00 0.26 -0.10 0.00 2.03 0.00 0.00 55.73 57.92 1sa8 s ARG 31 Cb 0.00 0.12 0.18 0.00 -1.03 0.00 0.00 34.95 34.22 1sa8 s ARG 31 CO 0.00 -0.50 0.96 1.21 -1.13 0.00 0.00 175.30 175.83 1sa8 s ASN 32 N 2.91 -0.65 -0.22 -2.89 2.47 -1.26 -4.89 114.94 110.42 1sa8 s ASN 32 Ca 0.22 0.36 -0.28 0.00 0.42 0.00 0.00 52.86 53.59 1sa8 s ASN 32 Cb -0.04 1.53 0.13 0.00 -1.45 0.00 0.00 41.25 41.41 1sa8 s ASN 32 CO -0.24 -0.12 1.03 -0.63 -3.72 0.00 0.00 177.10 173.42 1sa8 s ILE 33 N 2.93 0.00 -0.07 -5.21 -1.09 0.99 -4.37 121.20 114.37 1sa8 s ILE 33 Ca 0.06 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.43 1sa8 s ILE 33 Cb -0.10 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.80 1sa8 s ILE 33 CO -0.14 0.00 0.18 1.51 -1.23 0.00 0.00 174.94 175.26 1sa8 s ASP 34 N -0.52 -0.18 -0.16 3.58 1.47 -1.26 -1.37 116.67 118.23 1sa8 s ASP 34 Ca 0.01 0.37 -0.00 0.00 1.18 0.00 0.00 52.55 54.10 1sa8 s ASP 34 Cb -0.02 0.33 0.04 0.00 -0.34 0.00 0.00 42.92 42.92 1sa8 s ASP 34 CO -0.02 -0.10 -0.08 -0.69 0.68 0.00 0.00 175.17 174.97 1sa8 s VAL 35 N 0.52 1.24 -0.12 2.11 1.01 0.82 -4.96 120.40 121.02 1sa8 s VAL 35 Ca -0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 1sa8 s VAL 35 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1sa8 s VAL 35 CO -0.03 0.22 -0.10 0.54 0.00 0.00 0.00 175.10 175.74 1sa8 s VAL 36 N 1.59 3.39 -0.10 2.92 0.11 -1.26 0.55 120.40 127.60 1sa8 s VAL 36 Ca 0.02 -0.56 -0.19 0.00 -2.93 0.00 0.00 61.98 58.32 1sa8 s VAL 36 Cb -0.15 -2.43 0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1sa8 s VAL 36 CO -0.08 0.54 0.47 0.72 -3.33 0.00 0.00 175.10 173.41 1sa8 s PHE 37 N 0.02 -0.44 -0.01 1.54 -0.12 -0.81 -5.01 117.98 113.16 1sa8 s PHE 37 Ca -0.02 0.91 -0.00 0.00 -0.05 0.00 0.00 56.93 57.76 1sa8 s PHE 37 Cb -0.14 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 1sa8 s PHE 37 CO 0.04 -0.38 0.08 -1.21 -0.05 0.00 0.00 175.22 173.70 1sa8 s GLU 38 N -0.59 3.06 0.03 1.99 2.02 -1.26 -1.39 118.70 122.56 1sa8 s GLU 38 Ca -0.07 -0.48 -0.30 0.00 0.02 0.00 0.00 54.97 54.14 1sa8 s GLU 38 Cb -0.03 -2.86 -0.08 0.00 0.10 0.00 0.00 34.13 31.26 1sa8 s GLU 38 CO 0.04 0.65 1.81 -0.51 0.02 0.00 0.00 175.26 177.27 1sa8 s LEU 39 N -1.70 4.39 -0.41 1.80 1.02 -1.26 -2.13 118.68 120.38 1sa8 s LEU 39 Ca 0.22 2.54 -0.03 0.00 0.02 0.00 0.00 54.13 56.89 1sa8 s LEU 39 Cb -0.12 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.55 1sa8 s LEU 39 CO 0.13 -0.98 0.34 0.61 0.02 0.00 0.00 176.35 176.47 1sa8 n GLY 40 N 4.29 0.49 3.06 -3.19 0.00 0.99 -4.99 105.19 105.83 1sa8 n GLY 40 Ca 0.18 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.06 0.92 -0.13 1.61 1.01 -0.91 -4.94 120.40 114.90 1sa8 s VAL 41 Ca 0.17 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1sa8 s VAL 41 Cb -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1sa8 s VAL 41 CO 0.21 0.27 0.11 -0.62 0.00 0.00 0.00 175.10 175.06 1sa8 s ASP 42 N -0.14 6.09 0.20 3.32 2.15 -1.26 -2.75 116.67 124.28 1sa8 s ASP 42 Ca 0.02 0.34 -0.17 0.00 0.43 0.00 0.00 52.55 53.17 1sa8 s ASP 42 Cb -0.06 -1.96 0.02 0.00 -0.30 0.00 0.00 42.92 40.62 1sa8 s ASP 42 CO -0.00 0.34 0.52 0.72 -0.17 0.00 0.00 175.17 176.58 1sa8 s PHE 43 N -0.63 -0.08 -0.11 -5.34 -0.12 -0.82 -4.94 117.98 105.95 1sa8 s PHE 43 Ca 0.12 -0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 56.67 1sa8 s PHE 43 Cb -0.12 0.38 0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1sa8 s PHE 43 CO 0.02 -0.93 0.26 0.00 -0.05 0.00 0.00 175.22 174.52 1sa8 s ALA 44 N -3.89 -0.61 0.16 1.99 0.00 -1.26 -1.05 121.76 117.11 1sa8 s ALA 44 Ca 0.10 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.83 1sa8 s ALA 44 Cb -0.01 -0.64 0.06 0.00 0.00 0.00 0.00 23.12 22.53 1sa8 s ALA 44 CO -0.02 -0.20 0.91 1.52 0.00 0.00 0.00 175.76 177.98 1sa8 s TYR 45 N 1.16 -0.17 -0.23 0.00 -0.85 -1.23 -5.00 117.35 111.04 1sa8 s TYR 45 Ca -0.08 -0.14 -0.10 0.00 -0.52 0.00 0.00 57.07 56.22 1sa8 s TYR 45 Cb -0.09 0.64 -0.05 0.00 0.38 0.00 0.00 41.96 42.83 1sa8 s TYR 45 CO -0.08 -0.86 0.16 0.45 -1.52 0.00 0.00 175.55 173.70 1sa8 s SER 46 N -2.89 6.15 -0.11 -0.18 0.15 -1.26 -2.52 113.70 113.04 1sa8 s SER 46 Ca 0.11 0.15 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 1sa8 s SER 46 Cb -0.02 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1sa8 s SER 46 CO 0.02 0.09 0.05 -0.76 1.20 0.00 0.00 173.24 173.84 1sa8 s LEU 47 N 0.88 3.86 0.00 3.45 1.43 0.40 -4.75 118.68 123.95 1sa8 s LEU 47 Ca 0.08 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1sa8 s LEU 47 Cb -0.13 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1sa8 s LEU 47 CO 0.03 0.36 0.00 0.00 0.23 0.00 0.00 176.35 176.97 1sa8 n ALA 48 N 2.26 0.00 0.00 4.21 0.00 -1.26 -1.90 120.51 123.81 1sa8 n ALA 48 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1sa8 n ALA 48 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 1.79 0.00 0.00 0.00 2.03 -1.26 -5.07 116.55 114.04 1sa8 n ASP 49 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1sa8 n ASP 49 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -1.18 3.67 0.27 0.00 -0.80 -5.10 105.19 102.06 1sa8 n GLY 50 Ca 0.00 0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 1sa8 n GLY 50 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sa8 n THR 51 N -2.40 0.57 -3.78 2.61 -2.24 -1.21 -4.72 114.28 103.11 1sa8 n THR 51 Ca 0.00 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 1sa8 n THR 51 Cb 0.00 -2.13 -0.11 0.00 -2.10 0.00 0.00 70.33 66.00 1sa8 n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sa8 s GLU 52 N 3.70 2.38 -0.25 -0.78 2.02 -1.26 -0.45 118.70 124.06 1sa8 s GLU 52 Ca 0.87 -2.51 -0.10 0.00 0.02 0.00 0.00 54.97 53.25 1sa8 s GLU 52 Cb -0.52 -3.62 -0.05 0.00 0.10 0.00 0.00 34.13 30.05 1sa8 s GLU 52 CO 0.43 -1.15 0.15 -0.51 0.02 0.00 0.00 175.26 174.20 1sa8 s LEU 53 N -0.05 4.00 -0.36 1.80 1.02 -1.05 -4.10 118.68 119.95 1sa8 s LEU 53 Ca 0.16 0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 1sa8 s LEU 53 Cb -0.22 -2.08 0.02 0.00 0.02 0.00 0.00 46.19 43.93 1sa8 s LEU 53 CO -0.03 0.03 0.19 -0.89 0.02 0.00 0.00 176.35 175.67 1sa8 s THR 54 N 1.27 4.55 0.10 5.49 2.01 0.02 -3.58 115.64 125.51 1sa8 s THR 54 Ca 0.07 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 61.03 1sa8 s THR 54 Cb -0.14 -3.50 0.08 0.00 0.01 0.00 0.00 72.50 68.94 1sa8 s THR 54 CO 0.06 -0.17 0.89 -0.83 -0.69 0.00 0.00 174.62 173.88 1sa8 s GLY 55 N 1.56 -0.34 0.01 4.40 0.00 -0.21 0.39 107.32 113.12 1sa8 s GLY 55 Ca 0.02 0.47 -0.00 0.00 0.00 0.00 0.00 44.72 45.21 1sa8 s GLY 55 CO 0.06 0.14 0.11 -1.08 0.00 0.00 0.00 173.10 172.33 1sa8 s THR 56 N -3.29 4.88 -0.04 0.90 -1.32 -1.11 -1.94 115.64 113.73 1sa8 s THR 56 Ca 0.09 -0.40 0.05 0.00 -1.21 0.00 0.00 61.69 60.22 1sa8 s THR 56 Cb -0.01 -3.26 -0.01 0.00 -1.51 0.00 0.00 72.50 67.70 1sa8 s THR 56 CO -0.03 0.31 -0.20 0.86 -2.21 0.00 0.00 174.62 173.35 1sa8 s TRP 57 N -1.26 1.87 0.02 9.09 -0.11 -1.11 -2.28 118.94 125.16 1sa8 s TRP 57 Ca 0.25 -0.47 0.04 0.00 1.22 0.00 0.00 56.10 57.14 1sa8 s TRP 57 Cb -0.12 -1.23 -0.02 0.00 -1.50 0.00 0.00 33.47 30.60 1sa8 s TRP 57 CO 0.17 -0.12 -0.11 0.95 -4.62 0.00 0.00 176.95 173.21 1sa8 s THR 58 N -0.19 0.88 -0.25 5.86 -4.23 0.89 -0.01 115.64 118.60 1sa8 s THR 58 Ca 0.01 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1sa8 s THR 58 Cb -0.10 -0.79 0.07 0.00 1.34 0.00 0.00 72.50 73.02 1sa8 s THR 58 CO 0.01 0.06 -0.00 -0.32 -0.54 0.00 0.00 174.62 173.83 1sa8 s MET 59 N -0.75 1.26 -0.44 3.99 1.75 -1.26 -1.10 119.30 122.75 1sa8 s MET 59 Ca 0.01 -0.96 -0.11 0.00 -1.25 0.00 0.00 55.69 53.38 1sa8 s MET 59 Cb -0.06 -2.44 0.08 0.00 2.84 0.00 0.00 34.83 35.25 1sa8 s MET 59 CO 0.00 -0.70 0.31 -1.21 -0.65 0.00 0.00 175.02 172.78 1sa8 s GLU 60 N 1.49 2.72 0.70 4.11 2.02 -0.41 -4.87 118.70 124.45 1sa8 s GLU 60 Ca -0.01 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1sa8 s GLU 60 Cb -0.18 -3.91 0.00 0.00 0.10 0.00 0.00 34.13 30.14 1sa8 s GLU 60 CO -0.10 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.59 1sa8 n GLY 61 N 5.01 1.28 2.78 -1.39 0.00 -1.26 -1.65 105.19 109.97 1sa8 n GLY 61 Ca -0.11 0.40 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1sa8 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sa8 n ASN 62 N 3.45 0.68 -4.05 1.61 0.23 -1.26 -5.07 115.26 110.84 1sa8 n ASN 62 Ca 0.00 -2.08 -0.28 0.00 -0.53 0.00 0.00 54.58 51.69 1sa8 n ASN 62 Cb 0.00 -0.14 -0.17 0.00 -2.08 0.00 0.00 39.78 37.40 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sa8 s LYS 63 N -2.63 2.13 -0.36 -3.83 3.01 -0.66 -0.09 119.74 117.31 1sa8 s LYS 63 Ca 0.22 -0.53 -0.09 0.00 -1.01 0.00 0.00 55.97 54.56 1sa8 s LYS 63 Cb 0.36 -1.80 0.04 0.00 -1.01 0.00 0.00 37.83 35.41 1sa8 s LYS 63 CO -0.07 -0.04 0.16 -0.51 0.51 0.00 0.00 175.35 175.40 1sa8 s LEU 64 N 0.93 4.56 -0.00 3.17 1.43 0.14 -1.29 118.68 127.62 1sa8 s LEU 64 Ca -0.08 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 51.92 1sa8 s LEU 64 Cb -0.15 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1sa8 s LEU 64 CO -0.00 -0.37 -0.06 -0.69 0.23 0.00 0.00 176.35 175.45 1sa8 s VAL 65 N 1.47 0.48 0.00 -1.59 1.01 -0.26 -0.33 120.40 121.17 1sa8 s VAL 65 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1sa8 s VAL 65 Cb -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.77 1sa8 s VAL 65 CO 0.04 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1sa8 n GLY 66 N 2.83 2.71 3.27 4.51 0.00 -1.24 -0.08 105.19 117.19 1sa8 n GLY 66 Ca -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.17 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 0.94 0.43 0.13 1.61 2.20 -0.96 -4.75 119.74 119.33 1sa8 s LYS 67 Ca 0.00 0.86 0.11 0.00 -0.36 0.00 0.00 55.97 56.58 1sa8 s LYS 67 Cb 0.00 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1sa8 s LYS 67 CO 0.00 -0.36 -0.27 -0.06 -0.36 0.00 0.00 175.35 174.30 1sa8 s PHE 68 N 2.82 2.32 -0.21 4.03 0.40 -1.18 -2.76 117.98 123.41 1sa8 s PHE 68 Ca 0.07 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.95 1sa8 s PHE 68 Cb -0.12 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1sa8 s PHE 68 CO -0.18 0.33 0.08 0.21 0.70 0.00 0.00 175.22 176.37 1sa8 s LYS 69 N -2.04 3.92 -0.58 0.44 2.20 0.16 -0.39 119.74 123.46 1sa8 s LYS 69 Ca 0.14 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.43 1sa8 s LYS 69 Cb -0.10 -3.29 0.15 0.00 -1.51 0.00 0.00 37.83 33.08 1sa8 s LYS 69 CO 0.06 0.14 0.36 0.50 -0.36 0.00 0.00 175.35 176.05 1sa8 s ARG 70 N 0.75 2.00 0.27 4.03 6.06 -1.24 -0.80 118.95 130.02 1sa8 s ARG 70 Ca 0.04 -2.80 -0.04 0.00 -2.50 0.00 0.00 55.73 50.44 1sa8 s ARG 70 Cb -0.13 -3.07 0.36 0.00 0.06 0.00 0.00 34.95 32.17 1sa8 s ARG 70 CO 0.02 -1.21 1.92 -0.24 -2.50 0.00 0.00 175.30 173.29 1sa8 h VAL 71 N 4.93 1.23 -0.06 7.11 3.04 -1.85 0.43 116.25 131.07 1sa8 h VAL 71 Ca 0.05 -0.51 -0.12 0.00 -1.01 0.00 0.00 66.70 65.11 1sa8 h VAL 71 Cb 0.84 0.06 -0.05 0.00 -2.01 0.00 0.00 31.29 30.14 1sa8 h VAL 71 CO 0.65 0.24 -0.15 -0.67 -1.01 0.00 0.00 177.57 176.63 1sa8 n ASP 72 N -4.37 5.39 0.03 3.17 2.03 -1.26 -3.53 116.55 118.01 1sa8 n ASP 72 Ca 0.09 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1sa8 n ASP 72 Cb 0.07 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.20 1sa8 n ASP 72 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1sa8 n ASN 73 N 1.90 -0.49 0.00 1.67 5.15 -1.10 -5.02 115.26 117.37 1sa8 n ASN 73 Ca 0.23 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 1sa8 n ASN 73 Cb 0.70 0.77 0.00 0.00 -0.53 0.00 0.00 39.78 40.72 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 -1.34 0.00 2.87 8.20 0.00 -0.57 -4.97 105.19 109.37 1sa8 n GLY 74 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.62 -3.61 1.61 2.85 0.14 -4.83 118.16 111.70 1sa8 n LYS 75 Ca 0.00 0.22 -0.12 0.00 -1.05 0.00 0.00 58.31 57.36 1sa8 n LYS 75 Cb 0.00 -4.78 -0.07 0.00 -0.65 0.00 0.00 35.03 29.53 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 -5.43 0.66 -0.30 -1.58 2.02 -1.13 -3.71 118.70 109.23 1sa8 s GLU 76 Ca 0.16 0.58 -0.08 0.00 0.02 0.00 0.00 54.97 55.65 1sa8 s GLU 76 Cb -0.09 0.32 0.18 0.00 0.10 0.00 0.00 34.13 34.64 1sa8 s GLU 76 CO 0.20 -0.12 0.88 -1.17 0.02 0.00 0.00 175.26 175.07 1sa8 s LEU 77 N -0.13 -0.81 -0.16 1.80 2.96 0.47 -4.21 118.68 118.61 1sa8 s LEU 77 Ca -0.00 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1sa8 s LEU 77 Cb -0.04 1.66 -0.02 0.00 0.50 0.00 0.00 46.19 48.29 1sa8 s LEU 77 CO -0.01 -0.15 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.19 1sa8 s ILE 78 N 2.92 3.78 -0.22 6.68 1.01 0.72 -3.09 121.20 133.00 1sa8 s ILE 78 Ca 0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 1sa8 s ILE 78 Cb -0.11 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 1sa8 s ILE 78 CO -0.16 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.29 1sa8 s ALA 79 N 0.46 3.06 -0.08 9.38 0.00 -1.25 0.95 121.76 134.27 1sa8 s ALA 79 Ca -0.04 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1sa8 s ALA 79 Cb -0.14 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.14 1sa8 s ALA 79 CO 0.03 -0.30 0.19 0.08 0.00 0.00 0.00 175.76 175.76 1sa8 s VAL 80 N 1.27 -0.04 -0.12 0.00 1.01 -1.01 -3.73 120.40 117.77 1sa8 s VAL 80 Ca 0.04 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1sa8 s VAL 80 Cb -0.15 -0.30 0.11 0.00 0.00 0.00 0.00 36.38 36.04 1sa8 s VAL 80 CO 0.02 0.06 0.90 -0.60 0.00 0.00 0.00 175.10 175.47 1sa8 s ARG 81 N 1.08 0.74 0.22 2.72 6.06 0.55 -3.95 118.95 126.37 1sa8 s ARG 81 Ca -0.08 0.18 0.06 0.00 -2.50 0.00 0.00 55.73 53.39 1sa8 s ARG 81 Cb -0.10 0.35 -0.04 0.00 0.06 0.00 0.00 34.95 35.23 1sa8 s ARG 81 CO -0.06 -0.23 0.20 -1.83 -2.50 0.00 0.00 175.30 170.87 1sa8 s GLU 82 N -1.15 2.98 -0.26 5.12 -1.05 -1.26 0.26 118.70 123.34 1sa8 s GLU 82 Ca -0.05 -0.96 -0.09 0.00 -0.15 0.00 0.00 54.97 53.72 1sa8 s GLU 82 Cb -0.00 -2.63 -0.04 0.00 -0.44 0.00 0.00 34.13 31.02 1sa8 s GLU 82 CO 0.04 0.43 0.13 0.42 0.95 0.00 0.00 175.26 177.23 1sa8 s ILE 83 N -2.00 4.80 -0.22 1.83 1.09 0.87 -4.52 121.20 123.04 1sa8 s ILE 83 Ca 0.32 -0.01 -0.06 0.00 -1.10 0.00 0.00 60.65 59.81 1sa8 s ILE 83 Cb -0.09 -3.27 -0.02 0.00 -1.06 0.00 0.00 42.46 38.02 1sa8 s ILE 83 CO 0.25 0.29 0.02 -0.55 -0.10 0.00 0.00 174.94 174.86 1sa8 s SER 84 N 1.69 4.92 1.92 3.58 0.15 -1.25 -4.93 113.70 119.78 1sa8 s SER 84 Ca 0.07 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1sa8 s SER 84 Cb -0.16 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1sa8 s SER 84 CO 0.07 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1sa8 n GLY 85 N 4.51 4.15 2.80 9.45 0.00 -1.26 -3.09 105.19 121.75 1sa8 n GLY 85 Ca -0.17 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 4.08 -0.18 1.61 0.02 -1.26 -5.05 114.94 110.16 1sa8 s ASN 86 Ca 0.00 -2.17 -0.30 0.00 -1.02 0.00 0.00 52.86 49.37 1sa8 s ASN 86 Cb 0.00 -1.14 0.14 0.00 0.02 0.00 0.00 41.25 40.27 1sa8 s ASN 86 CO 0.00 -0.35 1.06 -1.83 0.02 0.00 0.00 177.10 176.00 1sa8 s GLU 87 N 0.91 0.50 -0.06 -0.60 -1.05 -1.18 -2.96 118.70 114.27 1sa8 s GLU 87 Ca 0.13 0.12 0.04 0.00 -0.15 0.00 0.00 54.97 55.12 1sa8 s GLU 87 Cb -0.21 0.24 -0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1sa8 s GLU 87 CO -0.11 -0.16 -0.19 -1.17 0.95 0.00 0.00 175.26 174.58 1sa8 s LEU 88 N -1.10 1.94 0.21 1.83 2.96 -0.92 -3.81 118.68 119.78 1sa8 s LEU 88 Ca 0.00 -0.40 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1sa8 s LEU 88 Cb -0.01 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1sa8 s LEU 88 CO -0.00 0.16 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.51 1sa8 s ILE 89 N 0.11 3.38 -0.16 6.68 -1.09 -1.26 -0.92 121.20 127.94 1sa8 s ILE 89 Ca -0.07 -1.71 -0.04 0.00 -2.23 0.00 0.00 60.65 56.59 1sa8 s ILE 89 Cb -0.13 -2.73 0.06 0.00 -1.58 0.00 0.00 42.46 38.08 1sa8 s ILE 89 CO 0.04 -0.21 0.11 -1.58 -1.23 0.00 0.00 174.94 172.06 1sa8 s GLN 90 N -3.16 0.06 -0.15 2.79 0.74 -0.73 -4.74 119.66 114.47 1sa8 s GLN 90 Ca 0.28 0.03 -0.05 0.00 0.05 0.00 0.00 55.36 55.67 1sa8 s GLN 90 Cb -0.08 -1.54 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 1sa8 s GLN 90 CO 0.18 -0.62 0.01 0.99 -0.55 0.00 0.00 175.29 175.30 1sa8 s THR 91 N 2.17 4.31 -0.42 -0.34 2.01 -1.25 -1.08 115.64 121.03 1sa8 s THR 91 Ca 0.03 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1sa8 s THR 91 Cb -0.15 -2.90 0.06 0.00 0.01 0.00 0.00 72.50 69.52 1sa8 s THR 91 CO -0.09 0.50 0.29 -0.31 -0.69 0.00 0.00 174.62 174.33 1sa8 s TYR 92 N 0.14 3.27 -0.12 4.92 1.51 0.22 -2.41 117.35 124.88 1sa8 s TYR 92 Ca 0.02 -1.09 -0.05 0.00 -1.01 0.00 0.00 57.07 54.94 1sa8 s TYR 92 Cb -0.13 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1sa8 s TYR 92 CO 0.02 -0.75 0.05 0.99 -1.11 0.00 0.00 175.55 174.75 1sa8 s THR 93 N 1.56 4.72 -0.28 -0.71 2.01 0.27 -1.07 115.64 122.14 1sa8 s THR 93 Ca 0.03 -0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 1sa8 s THR 93 Cb -0.22 -3.05 0.08 0.00 0.01 0.00 0.00 72.50 69.33 1sa8 s THR 93 CO 0.06 0.56 0.75 -0.47 -0.69 0.00 0.00 174.62 174.83 1sa8 s TYR 94 N -0.50 -0.85 0.00 4.92 5.04 -0.69 -0.20 117.35 125.07 1sa8 s TYR 94 Ca 0.10 1.88 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1sa8 s TYR 94 Cb -0.12 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1sa8 s TYR 94 CO 0.02 -0.41 0.00 -1.91 -1.34 0.00 0.00 175.55 171.91 1sa8 n GLU 95 N 3.30 0.00 -0.65 4.97 2.13 -1.26 -1.84 120.64 127.29 1sa8 n GLU 95 Ca -0.16 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.63 1sa8 n GLU 95 Cb 0.57 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.25 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sa8 n GLY 96 N 0.00 0.00 2.96 8.31 0.00 -1.26 -5.14 105.19 110.06 1sa8 n GLY 96 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1sa8 n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sa8 s VAL 97 N 0.00 0.10 -0.09 1.61 -7.23 -0.77 -5.15 120.40 108.86 1sa8 s VAL 97 Ca 0.00 -0.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1sa8 s VAL 97 Cb 0.00 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1sa8 s VAL 97 CO 0.00 -0.39 -0.14 -1.83 -0.31 0.00 0.00 175.10 172.42 1sa8 s GLU 98 N -1.16 2.07 -0.24 4.82 -1.05 -1.26 -1.71 118.70 120.17 1sa8 s GLU 98 Ca -0.13 -0.52 -0.01 0.00 -0.15 0.00 0.00 54.97 54.17 1sa8 s GLU 98 Cb -0.08 -1.75 0.03 0.00 -0.44 0.00 0.00 34.13 31.90 1sa8 s GLU 98 CO -0.01 -0.03 -0.08 0.00 0.95 0.00 0.00 175.26 176.09 1sa8 s ALA 99 N 0.88 2.64 -0.05 -0.84 0.00 -0.23 -4.92 121.76 119.24 1sa8 s ALA 99 Ca -0.09 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.44 1sa8 s ALA 99 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 1sa8 s ALA 99 CO 0.01 -0.83 -0.25 -1.59 0.00 0.00 0.00 175.76 173.09 1sa8 s LYS 100 N 1.28 2.41 -0.10 0.00 -2.85 -1.26 0.71 119.74 119.93 1sa8 s LYS 100 Ca -0.01 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.97 54.03 1sa8 s LYS 100 Cb -0.17 -2.12 -0.03 0.00 -2.06 0.00 0.00 37.83 33.45 1sa8 s LYS 100 CO -0.05 0.43 0.00 0.50 0.10 0.00 0.00 175.35 176.33 1sa8 s ARG 101 N -0.29 3.14 -0.17 1.78 3.52 -0.24 -4.91 118.95 121.76 1sa8 s ARG 101 Ca 0.00 -0.41 -0.08 0.00 -0.13 0.00 0.00 55.73 55.12 1sa8 s ARG 101 Cb -0.13 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1sa8 s ARG 101 CO 0.02 0.63 0.09 0.42 -0.81 0.00 0.00 175.30 175.65 1sa8 s ILE 102 N -0.67 5.09 0.17 4.11 1.09 -1.26 -1.77 121.20 127.96 1sa8 s ILE 102 Ca 0.11 0.07 0.01 0.00 -1.10 0.00 0.00 60.65 59.73 1sa8 s ILE 102 Cb -0.12 -3.28 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 1sa8 s ILE 102 CO 0.02 0.49 0.03 -0.36 -0.10 0.00 0.00 174.94 175.02 1sa8 s PHE 103 N 0.08 1.16 0.03 3.97 0.08 -0.10 -4.83 117.98 118.38 1sa8 s PHE 103 Ca 0.07 -1.11 -0.06 0.00 0.12 0.00 0.00 56.93 55.95 1sa8 s PHE 103 Cb -0.12 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 1sa8 s PHE 103 CO 0.00 -0.33 0.10 -1.59 -0.10 0.00 0.00 175.22 173.30 1sa8 s LYS 104 N -3.98 0.54 0.26 0.44 0.00 -1.26 -2.17 119.74 113.57 1sa8 s LYS 104 Ca 0.26 -0.64 -0.31 0.00 0.00 0.00 0.00 55.97 55.28 1sa8 s LYS 104 Cb 0.07 0.21 -0.12 0.00 0.00 0.00 0.00 37.83 37.99 1sa8 s LYS 104 CO 0.05 -0.13 1.57 1.17 0.00 0.00 0.00 175.35 178.01 1sa8 n LYS 105 N 1.02 2.50 0.00 1.78 4.81 -1.16 0.13 118.16 127.25 1sa8 n LYS 105 Ca -0.20 0.89 0.15 0.00 -0.87 0.00 0.00 58.31 58.28 1sa8 n LYS 105 Cb 0.57 -2.65 0.89 0.00 0.02 0.00 0.00 35.03 33.87 1sa8 n LYS 105 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66