#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 -4.41 0.00 3.01 -1.26 -4.89 117.46 109.91 1sa8 n PHE 2 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 1sa8 n PHE 2 Cb 0.00 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.22 1sa8 n PHE 2 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1sa8 n ASP 3 N -0.97 -0.22 -3.74 4.37 5.68 -0.91 -4.85 116.55 115.91 1sa8 n ASP 3 Ca 0.00 -1.26 -0.04 0.00 -0.50 0.00 0.00 54.79 52.98 1sa8 n ASP 3 Cb 0.00 -1.61 -0.01 0.00 -1.14 0.00 0.00 41.12 38.35 1sa8 n ASP 3 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1sa8 s GLY 4 N -3.91 -0.24 -0.20 6.12 0.00 -1.10 -5.00 107.32 102.98 1sa8 s GLY 4 Ca 0.35 0.16 -0.10 0.00 0.00 0.00 0.00 44.72 45.13 1sa8 s GLY 4 CO 1.01 0.02 0.14 -0.51 0.00 0.00 0.00 173.10 173.76 1sa8 s THR 5 N -3.33 5.40 -0.26 0.90 -4.23 -1.26 -2.86 115.64 109.99 1sa8 s THR 5 Ca 0.11 0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1sa8 s THR 5 Cb -0.02 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.43 1sa8 s THR 5 CO 0.02 0.43 0.10 0.26 -0.54 0.00 0.00 174.62 174.88 1sa8 s TRP 6 N 0.46 0.85 0.13 3.99 0.52 -0.16 -0.23 118.94 124.51 1sa8 s TRP 6 Ca 0.08 -1.05 -0.25 0.00 0.02 0.00 0.00 56.10 54.90 1sa8 s TRP 6 Cb -0.11 -1.13 0.07 0.00 -1.15 0.00 0.00 33.47 31.14 1sa8 s TRP 6 CO -0.01 -0.76 0.92 0.21 0.02 0.00 0.00 176.95 177.34 1sa8 s LYS 7 N 1.91 1.17 0.16 4.98 2.47 0.19 -4.33 119.74 126.29 1sa8 s LYS 7 Ca 0.06 -0.61 0.03 0.00 -1.56 0.00 0.00 55.97 53.89 1sa8 s LYS 7 Cb -0.17 0.42 -0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1sa8 s LYS 7 CO -0.24 -0.53 0.27 0.08 0.16 0.00 0.00 175.35 175.09 1sa8 s VAL 8 N -3.30 5.19 0.27 4.02 1.01 -1.26 -3.62 120.40 122.71 1sa8 s VAL 8 Ca 0.11 -0.78 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1sa8 s VAL 8 Cb -0.02 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 1sa8 s VAL 8 CO 0.00 -0.12 0.91 0.61 0.00 0.00 0.00 175.10 176.50 1sa8 n GLY 9 N -0.61 -0.58 0.87 4.51 0.00 -1.26 -1.33 105.19 106.80 1sa8 n GLY 9 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 1.39 2.74 3.74 -0.02 0.00 -1.26 -4.99 105.19 106.79 1sa8 n GLY 10 Ca 0.11 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 3.27 0.00 0.99 1.43 -0.44 -4.52 118.68 119.41 1sa8 s LEU 11 Ca 0.00 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.29 1sa8 s LEU 11 Cb 0.00 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1sa8 s LEU 11 CO 0.00 -0.31 0.07 -1.59 0.23 0.00 0.00 176.35 174.75 1sa8 s LYS 12 N -3.85 0.38 -0.16 1.70 0.00 -1.26 -4.32 119.74 112.22 1sa8 s LYS 12 Ca 0.38 -0.41 -0.10 0.00 0.00 0.00 0.00 55.97 55.84 1sa8 s LYS 12 Cb -0.02 0.15 0.05 0.00 0.00 0.00 0.00 37.83 38.01 1sa8 s LYS 12 CO 0.23 -0.08 0.39 -1.17 0.00 0.00 0.00 175.35 174.72 1sa8 s LEU 13 N -1.23 0.09 -0.04 2.77 0.20 -1.24 -3.44 118.68 115.79 1sa8 s LEU 13 Ca -0.13 0.83 -0.02 0.00 0.69 0.00 0.00 54.13 55.49 1sa8 s LEU 13 Cb -0.08 1.27 0.02 0.00 -0.43 0.00 0.00 46.19 46.98 1sa8 s LEU 13 CO 0.00 -0.18 0.09 -0.89 -0.29 0.00 0.00 176.35 175.09 1sa8 s THR 14 N 1.14 -0.02 -0.01 3.68 2.01 -1.22 -0.99 115.64 120.23 1sa8 s THR 14 Ca -0.08 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1sa8 s THR 14 Cb -0.07 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 1sa8 s THR 14 CO -0.10 0.03 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.14 1sa8 s ILE 15 N 0.44 0.74 -0.04 1.82 1.01 -1.14 -0.94 121.20 123.09 1sa8 s ILE 15 Ca -0.03 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1sa8 s ILE 15 Cb -0.05 -0.62 0.02 0.00 0.01 0.00 0.00 42.46 41.82 1sa8 s ILE 15 CO -0.02 0.21 -0.04 -0.89 0.00 0.00 0.00 174.94 174.20 1sa8 s THR 16 N -0.18 0.48 0.20 2.92 2.01 -1.23 -2.13 115.64 117.70 1sa8 s THR 16 Ca 0.03 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.69 1sa8 s THR 16 Cb -0.04 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 72.01 1sa8 s THR 16 CO -0.00 0.21 0.84 -1.10 -0.69 0.00 0.00 174.62 173.87 1sa8 s GLN 17 N 0.84 1.42 -0.41 4.92 1.11 -1.26 -3.82 119.66 122.46 1sa8 s GLN 17 Ca -0.11 -0.76 0.05 0.00 0.01 0.00 0.00 55.36 54.55 1sa8 s GLN 17 Cb -0.14 0.50 0.32 0.00 -1.01 0.00 0.00 33.01 32.68 1sa8 s GLN 17 CO 0.00 -0.65 1.23 -0.85 0.01 0.00 0.00 175.29 175.03 1sa8 n GLU 18 N -0.45 0.71 -2.42 2.91 0.28 -1.26 -4.80 120.64 115.61 1sa8 n GLU 18 Ca -0.06 -1.48 -0.06 0.00 -0.16 0.00 0.00 57.16 55.41 1sa8 n GLU 18 Cb 0.60 -0.67 0.03 0.00 1.43 0.00 0.00 31.44 32.82 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 0.36 -0.41 0.23 -1.84 0.00 -1.26 -4.96 105.19 97.31 1sa8 n GLY 19 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 1sa8 n GLY 19 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sa8 n ASN 20 N -2.12 -0.09 -4.65 1.61 4.05 -1.26 -5.00 115.26 107.80 1sa8 n ASN 20 Ca -0.03 -1.13 -0.38 0.00 0.45 0.00 0.00 54.58 53.50 1sa8 n ASN 20 Cb 0.54 0.18 -0.09 0.00 1.23 0.00 0.00 39.78 41.64 1sa8 n ASN 20 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1sa8 s LYS 21 N -2.05 4.09 -0.30 1.20 2.20 -1.26 -0.99 119.74 122.62 1sa8 s LYS 21 Ca 0.02 -0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 1sa8 s LYS 21 Cb -0.00 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1sa8 s LYS 21 CO 0.01 -0.08 0.18 -0.06 -0.36 0.00 0.00 175.35 175.04 1sa8 s PHE 22 N 1.47 3.20 -0.20 4.03 0.40 0.35 -4.43 117.98 122.80 1sa8 s PHE 22 Ca 0.14 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1sa8 s PHE 22 Cb -0.15 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1sa8 s PHE 22 CO 0.08 -0.31 -0.00 0.99 0.70 0.00 0.00 175.22 176.67 1sa8 s THR 23 N 1.70 3.95 -0.15 0.64 2.01 -1.25 -1.76 115.64 120.78 1sa8 s THR 23 Ca 0.06 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 1sa8 s THR 23 Cb -0.17 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1sa8 s THR 23 CO 0.09 0.43 0.06 -0.69 -0.69 0.00 0.00 174.62 173.82 1sa8 s VAL 24 N 1.01 4.81 -0.45 3.82 1.01 0.11 -3.55 120.40 127.16 1sa8 s VAL 24 Ca 0.02 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1sa8 s VAL 24 Cb -0.14 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.18 1sa8 s VAL 24 CO 0.02 0.52 0.35 -0.75 0.00 0.00 0.00 175.10 175.24 1sa8 s LYS 25 N -0.13 2.88 -0.11 2.72 2.20 -0.11 -0.43 119.74 126.76 1sa8 s LYS 25 Ca 0.07 -1.36 -0.03 0.00 -0.36 0.00 0.00 55.97 54.28 1sa8 s LYS 25 Cb -0.12 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 1sa8 s LYS 25 CO 0.01 -0.99 0.03 -2.00 -0.36 0.00 0.00 175.35 172.04 1sa8 s GLU 26 N 1.58 3.23 -0.16 4.03 2.56 0.13 -3.44 118.70 126.63 1sa8 s GLU 26 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 54.97 54.53 1sa8 s GLU 26 Cb -0.24 -2.92 0.05 0.00 2.00 0.00 0.00 34.13 33.03 1sa8 s GLU 26 CO 0.06 0.63 0.40 -1.12 -0.56 0.00 0.00 175.26 174.67 1sa8 s SER 27 N -0.67 -0.47 -0.25 -1.70 0.01 -1.22 -0.29 113.70 109.12 1sa8 s SER 27 Ca 0.11 0.85 -0.03 0.00 1.31 0.00 0.00 55.95 58.18 1sa8 s SER 27 Cb -0.12 0.79 0.13 0.00 0.21 0.00 0.00 66.02 67.04 1sa8 s SER 27 CO 0.02 -0.17 0.43 -0.44 0.41 0.00 0.00 173.24 173.49 1sa8 s SER 28 N 0.84 -0.17 0.00 2.44 0.01 -0.73 -4.07 113.70 112.02 1sa8 s SER 28 Ca -0.05 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1sa8 s SER 28 Cb -0.06 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1sa8 s SER 28 CO -0.06 -0.28 0.00 0.59 0.41 0.00 0.00 173.24 173.90 1sa8 n ASN 29 N 5.38 0.00 -2.69 2.44 3.02 -1.26 -3.05 115.26 119.11 1sa8 n ASN 29 Ca -0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.46 1sa8 n ASN 29 Cb 0.50 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.79 1sa8 n ASN 29 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1sa8 n PHE 30 N 0.00 -2.30 -3.63 3.10 1.16 -1.26 -5.12 117.46 109.41 1sa8 n PHE 30 Ca 0.00 -1.84 -0.11 0.00 -1.87 0.00 0.00 57.45 53.64 1sa8 n PHE 30 Cb 0.00 1.59 -0.07 0.00 -1.61 0.00 0.00 39.48 39.39 1sa8 n PHE 30 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1sa8 s ARG 31 N 0.16 0.75 -0.08 3.97 1.70 -1.17 -5.16 118.95 119.13 1sa8 s ARG 31 Ca 0.17 1.05 0.03 0.00 -0.47 0.00 0.00 55.73 56.51 1sa8 s ARG 31 Cb 0.42 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 35.09 1sa8 s ARG 31 CO -0.11 -0.12 -0.15 -0.80 -1.08 0.00 0.00 175.30 173.04 1sa8 s ASN 32 N 0.90 2.14 -0.10 -2.89 -0.87 -1.26 -1.78 114.94 111.09 1sa8 s ASN 32 Ca -0.04 -0.37 -0.07 0.00 -1.57 0.00 0.00 52.86 50.81 1sa8 s ASN 32 Cb -0.05 -0.99 0.03 0.00 -0.02 0.00 0.00 41.25 40.23 1sa8 s ASN 32 CO -0.08 0.07 0.24 -0.51 -2.57 0.00 0.00 177.10 174.25 1sa8 s ILE 33 N 0.59 -0.02 -0.10 0.60 2.07 0.60 -5.01 121.20 119.94 1sa8 s ILE 33 Ca -0.15 0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.14 1sa8 s ILE 33 Cb -0.16 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 1sa8 s ILE 33 CO 0.05 0.03 -0.01 1.51 -1.91 0.00 0.00 174.94 174.61 1sa8 s ASP 34 N 0.70 5.08 -0.32 4.50 -4.77 -1.26 0.17 116.67 120.77 1sa8 s ASP 34 Ca -0.05 0.07 -0.04 0.00 -3.30 0.00 0.00 52.55 49.23 1sa8 s ASP 34 Cb -0.06 -1.50 0.05 0.00 -1.09 0.00 0.00 42.92 40.32 1sa8 s ASP 34 CO -0.04 0.33 0.05 -0.69 0.70 0.00 0.00 175.17 175.52 1sa8 s VAL 35 N -0.59 3.32 -0.15 2.11 1.01 0.43 -4.89 120.40 121.64 1sa8 s VAL 35 Ca 0.10 -1.31 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1sa8 s VAL 35 Cb -0.12 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1sa8 s VAL 35 CO 0.02 -0.16 0.01 0.54 0.00 0.00 0.00 175.10 175.50 1sa8 s VAL 36 N 1.31 4.31 -0.16 2.92 0.11 -1.26 0.05 120.40 127.67 1sa8 s VAL 36 Ca -0.03 -0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 58.63 1sa8 s VAL 36 Cb -0.20 -2.89 0.05 0.00 -1.53 0.00 0.00 36.38 31.81 1sa8 s VAL 36 CO 0.00 0.51 0.48 0.72 -3.33 0.00 0.00 175.10 173.48 1sa8 s PHE 37 N 0.08 -0.51 -0.05 1.54 -0.71 -0.72 -4.99 117.98 112.62 1sa8 s PHE 37 Ca 0.02 1.19 -0.04 0.00 -1.04 0.00 0.00 56.93 57.06 1sa8 s PHE 37 Cb -0.13 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1sa8 s PHE 37 CO 0.02 -0.29 0.15 -2.00 -1.34 0.00 0.00 175.22 171.76 1sa8 s GLU 38 N 0.02 3.38 -0.27 1.99 2.12 -1.26 0.13 118.70 124.82 1sa8 s GLU 38 Ca -0.02 -0.28 -0.34 0.00 0.36 0.00 0.00 54.97 54.69 1sa8 s GLU 38 Cb -0.03 -3.09 -0.11 0.00 0.26 0.00 0.00 34.13 31.16 1sa8 s GLU 38 CO 0.02 0.71 2.11 1.28 -0.54 0.00 0.00 175.26 178.83 1sa8 n LEU 39 N 1.36 2.61 -2.02 2.70 4.77 -0.17 -1.68 117.00 124.59 1sa8 n LEU 39 Ca -0.14 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1sa8 n LEU 39 Cb 0.53 -1.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.33 1sa8 n LEU 39 CO 0.38 -0.57 0.12 0.61 -1.33 0.00 0.00 177.39 176.60 1sa8 n GLY 40 N 5.83 0.21 3.20 -0.72 0.00 0.39 -4.98 105.19 109.13 1sa8 n GLY 40 Ca 0.35 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.16 1.64 -0.13 1.61 1.01 -0.68 -4.93 120.40 115.76 1sa8 s VAL 41 Ca 0.27 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 1sa8 s VAL 41 Cb -0.12 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1sa8 s VAL 41 CO 0.35 0.46 0.00 1.51 0.00 0.00 0.00 175.10 177.43 1sa8 s ASP 42 N -0.31 5.18 0.13 3.32 -4.77 -1.26 -2.72 116.67 116.24 1sa8 s ASP 42 Ca 0.03 0.03 -0.25 0.00 -3.30 0.00 0.00 52.55 49.07 1sa8 s ASP 42 Cb -0.10 -1.71 0.07 0.00 -1.09 0.00 0.00 42.92 40.09 1sa8 s ASP 42 CO 0.01 0.25 0.83 0.72 0.70 0.00 0.00 175.17 177.68 1sa8 s PHE 43 N -0.13 -0.28 -0.16 2.11 -0.71 -0.48 -4.92 117.98 113.41 1sa8 s PHE 43 Ca 0.04 0.01 -0.06 0.00 -1.04 0.00 0.00 56.93 55.88 1sa8 s PHE 43 Cb -0.13 0.61 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1sa8 s PHE 43 CO 0.02 -0.82 0.05 0.00 -1.34 0.00 0.00 175.22 173.12 1sa8 s ALA 44 N -3.44 3.37 -0.05 1.99 0.00 -1.26 -0.19 121.76 122.19 1sa8 s ALA 44 Ca 0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1sa8 s ALA 44 Cb -0.02 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1sa8 s ALA 44 CO -0.03 0.29 0.13 -0.47 0.00 0.00 0.00 175.76 175.67 1sa8 s TYR 45 N 0.05 -0.14 -0.20 0.00 5.04 0.37 -4.95 117.35 117.53 1sa8 s TYR 45 Ca 0.05 0.33 -0.08 0.00 -2.44 0.00 0.00 57.07 54.93 1sa8 s TYR 45 Cb -0.12 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.19 1sa8 s TYR 45 CO 0.01 -0.07 0.08 0.45 -1.34 0.00 0.00 175.55 174.68 1sa8 s SER 46 N 0.05 5.75 -0.10 4.32 0.15 -1.26 -0.24 113.70 122.37 1sa8 s SER 46 Ca -0.00 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.73 1sa8 s SER 46 Cb -0.01 -2.00 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1sa8 s SER 46 CO 0.00 0.15 -0.06 -0.76 1.20 0.00 0.00 173.24 173.77 1sa8 s LEU 47 N 0.52 3.16 -1.83 3.45 1.43 0.37 -4.43 118.68 121.35 1sa8 s LEU 47 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1sa8 s LEU 47 Cb -0.12 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1sa8 s LEU 47 CO 0.01 0.29 0.00 0.00 0.23 0.00 0.00 176.35 176.88 1sa8 n ALA 48 N 2.69 -0.46 -3.82 4.21 0.00 -1.26 -1.72 120.51 120.16 1sa8 n ALA 48 Ca -0.18 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 1sa8 n ALA 48 Cb 0.53 -1.96 0.01 0.00 0.00 0.00 0.00 19.45 18.03 1sa8 n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sa8 n ASP 49 N -1.54 -4.43 0.10 0.00 8.00 -1.26 -4.72 116.55 112.70 1sa8 n ASP 49 Ca -0.21 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.58 1sa8 n ASP 49 Cb 0.65 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sa8 n GLY 50 N -1.53 -0.64 3.75 0.44 0.00 -0.70 -5.10 105.19 101.42 1sa8 n GLY 50 Ca 0.03 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 3.85 -0.33 2.61 -4.23 -0.75 -4.89 115.64 109.90 1sa8 s THR 51 Ca 0.00 1.83 0.02 0.00 -1.18 0.00 0.00 61.69 62.36 1sa8 s THR 51 Cb 0.00 -4.17 0.10 0.00 1.34 0.00 0.00 72.50 69.77 1sa8 s THR 51 CO 0.00 0.42 0.08 -1.61 -0.54 0.00 0.00 174.62 172.97 1sa8 s GLU 52 N -1.18 1.15 -0.23 3.99 2.02 -1.26 -0.47 118.70 122.71 1sa8 s GLU 52 Ca 0.43 -1.54 -0.08 0.00 0.02 0.00 0.00 54.97 53.80 1sa8 s GLU 52 Cb -0.28 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1sa8 s GLU 52 CO 0.36 -0.97 0.09 -0.51 0.02 0.00 0.00 175.26 174.24 1sa8 s LEU 53 N 1.18 3.70 -0.33 1.80 1.02 0.67 -4.10 118.68 122.62 1sa8 s LEU 53 Ca 0.11 -0.05 -0.10 0.00 0.02 0.00 0.00 54.13 54.11 1sa8 s LEU 53 Cb -0.18 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.06 1sa8 s LEU 53 CO -0.15 0.05 0.16 -0.89 0.02 0.00 0.00 176.35 175.54 1sa8 s THR 54 N 1.12 4.50 0.09 5.49 2.01 -0.34 -0.48 115.64 128.03 1sa8 s THR 54 Ca 0.05 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 1sa8 s THR 54 Cb -0.14 -3.38 0.08 0.00 0.01 0.00 0.00 72.50 69.07 1sa8 s THR 54 CO 0.04 -0.04 0.94 -0.83 -0.69 0.00 0.00 174.62 174.03 1sa8 s GLY 55 N 1.57 -0.33 0.03 4.40 0.00 0.73 0.07 107.32 113.80 1sa8 s GLY 55 Ca 0.03 0.49 0.03 0.00 0.00 0.00 0.00 44.72 45.27 1sa8 s GLY 55 CO 0.06 0.14 -0.02 -1.08 0.00 0.00 0.00 173.10 172.20 1sa8 s THR 56 N -3.20 3.98 -0.03 0.90 -1.32 -1.03 -1.39 115.64 113.55 1sa8 s THR 56 Ca 0.09 -0.79 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 1sa8 s THR 56 Cb -0.01 -2.81 -0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1sa8 s THR 56 CO -0.02 0.29 -0.13 0.86 -2.21 0.00 0.00 174.62 173.40 1sa8 s TRP 57 N -1.15 1.33 -0.05 9.09 -0.11 -1.10 -1.99 118.94 124.97 1sa8 s TRP 57 Ca 0.21 -0.35 0.01 0.00 1.22 0.00 0.00 56.10 57.19 1sa8 s TRP 57 Cb -0.11 -0.91 0.02 0.00 -1.50 0.00 0.00 33.47 30.96 1sa8 s TRP 57 CO 0.12 -0.12 -0.07 0.95 -4.62 0.00 0.00 176.95 173.22 1sa8 s THR 58 N 0.07 0.71 -0.41 5.86 -4.23 -0.07 -0.47 115.64 117.09 1sa8 s THR 58 Ca -0.02 -0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.18 1sa8 s THR 58 Cb -0.10 -0.70 0.08 0.00 1.34 0.00 0.00 72.50 73.12 1sa8 s THR 58 CO 0.01 0.26 0.24 -0.32 -0.54 0.00 0.00 174.62 174.28 1sa8 s MET 59 N 0.89 2.57 -0.45 3.99 1.75 -1.26 -1.96 119.30 124.84 1sa8 s MET 59 Ca -0.11 -1.46 -0.11 0.00 -1.25 0.00 0.00 55.69 52.76 1sa8 s MET 59 Cb -0.15 -3.74 0.09 0.00 2.84 0.00 0.00 34.83 33.87 1sa8 s MET 59 CO 0.01 -0.94 0.33 -2.00 -0.65 0.00 0.00 175.02 171.77 1sa8 s GLU 60 N 1.41 2.70 0.00 4.11 2.56 -0.51 -4.83 118.70 124.14 1sa8 s GLU 60 Ca 0.03 -1.51 0.00 0.00 0.00 0.00 0.00 54.97 53.49 1sa8 s GLU 60 Cb -0.23 -3.93 0.00 0.00 2.00 0.00 0.00 34.13 31.97 1sa8 s GLU 60 CO 0.02 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.08 1sa8 n GLY 61 N 5.01 0.88 2.37 -1.50 0.00 -1.26 -2.36 105.19 108.32 1sa8 n GLY 61 Ca -0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 2.08 -1.10 -3.73 1.61 6.94 -1.26 -4.88 115.26 114.92 1sa8 n ASN 62 Ca 0.00 -1.90 -0.16 0.00 -0.02 0.00 0.00 54.58 52.50 1sa8 n ASN 62 Cb 0.00 0.54 -0.16 0.00 -2.36 0.00 0.00 39.78 37.80 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1sa8 s LYS 63 N 0.10 0.01 -0.45 -3.83 1.02 -1.00 -2.15 119.74 113.44 1sa8 s LYS 63 Ca 0.07 0.35 -0.12 0.00 0.02 0.00 0.00 55.97 56.29 1sa8 s LYS 63 Cb 0.32 -0.28 0.08 0.00 -0.52 0.00 0.00 37.83 37.42 1sa8 s LYS 63 CO -0.09 -0.22 0.33 -0.51 -0.92 0.00 0.00 175.35 173.94 1sa8 s LEU 64 N 1.53 5.42 -0.02 3.17 1.43 0.16 -1.42 118.68 128.95 1sa8 s LEU 64 Ca -0.04 -1.45 0.02 0.00 -1.03 0.00 0.00 54.13 51.62 1sa8 s LEU 64 Cb -0.12 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1sa8 s LEU 64 CO -0.04 -0.60 -0.05 -0.69 0.23 0.00 0.00 176.35 175.19 1sa8 s VAL 65 N 1.52 0.48 0.00 -1.59 1.01 -0.83 -1.63 120.40 119.36 1sa8 s VAL 65 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1sa8 s VAL 65 Cb -0.24 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1sa8 s VAL 65 CO 0.04 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1sa8 n GLY 66 N 3.34 2.01 3.51 4.51 0.00 -1.26 -0.89 105.19 116.41 1sa8 n GLY 66 Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.27 0.41 0.08 1.61 2.20 -0.84 -4.82 119.74 119.66 1sa8 s LYS 67 Ca 0.00 0.99 0.10 0.00 -0.36 0.00 0.00 55.97 56.70 1sa8 s LYS 67 Cb 0.00 0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1sa8 s LYS 67 CO 0.00 -0.14 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.54 1sa8 s PHE 68 N 2.52 2.19 -0.20 4.03 0.40 -1.22 -2.46 117.98 123.25 1sa8 s PHE 68 Ca -0.04 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1sa8 s PHE 68 Cb -0.08 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.17 1sa8 s PHE 68 CO -0.18 0.21 0.06 0.21 0.70 0.00 0.00 175.22 176.23 1sa8 s LYS 69 N -1.63 3.88 -0.31 0.44 2.20 0.11 -0.09 119.74 124.34 1sa8 s LYS 69 Ca 0.11 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 1sa8 s LYS 69 Cb -0.10 -3.24 0.10 0.00 -1.51 0.00 0.00 37.83 33.08 1sa8 s LYS 69 CO 0.04 0.15 0.06 0.50 -0.36 0.00 0.00 175.35 175.74 1sa8 s ARG 70 N 0.71 1.15 0.30 4.03 3.52 -1.24 -1.20 118.95 126.22 1sa8 s ARG 70 Ca 0.03 -1.42 0.25 0.00 -0.13 0.00 0.00 55.73 54.46 1sa8 s ARG 70 Cb -0.13 -2.59 1.02 0.00 -1.56 0.00 0.00 34.95 31.68 1sa8 s ARG 70 CO 0.02 -0.92 1.75 -0.24 -0.81 0.00 0.00 175.30 175.10 1sa8 h VAL 71 N 6.56 0.00 0.00 7.11 3.04 -1.71 -1.67 116.25 129.58 1sa8 h VAL 71 Ca -0.10 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1sa8 h VAL 71 Cb 1.02 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1sa8 h VAL 71 CO 0.49 0.00 0.00 -0.67 -1.01 0.00 0.00 177.57 176.38 1sa8 n ASP 72 N -2.36 0.97 0.00 3.17 2.03 -1.26 -3.47 116.55 115.63 1sa8 n ASP 72 Ca 0.02 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1sa8 n ASP 72 Cb 0.25 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.45 0.00 0.00 1.67 5.15 -1.20 -5.01 115.26 116.32 1sa8 n ASN 73 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1sa8 n ASN 73 Cb 0.19 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 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 -0.88 -1.55 1.16 8.20 0.00 -0.86 -5.04 105.19 106.22 1sa8 n GLY 74 Ca 0.00 0.56 -0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.48 0.18 -3.57 1.61 2.85 -0.69 -4.00 118.16 114.06 1sa8 n LYS 75 Ca 0.00 -0.34 -0.15 0.00 -1.05 0.00 0.00 58.31 56.77 1sa8 n LYS 75 Cb 0.00 0.35 -0.06 0.00 -0.65 0.00 0.00 35.03 34.67 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 0.02 0.85 -0.30 -1.58 2.02 -1.18 -3.66 118.70 114.87 1sa8 s GLU 76 Ca 0.01 0.40 -0.04 0.00 0.02 0.00 0.00 54.97 55.36 1sa8 s GLU 76 Cb 0.06 0.40 0.19 0.00 0.10 0.00 0.00 34.13 34.88 1sa8 s GLU 76 CO -0.02 -0.22 0.82 -1.17 0.02 0.00 0.00 175.26 174.69 1sa8 s LEU 77 N -0.73 -0.99 0.09 1.80 2.96 0.86 -4.20 118.68 118.48 1sa8 s LEU 77 Ca -0.05 0.32 0.08 0.00 -0.22 0.00 0.00 54.13 54.25 1sa8 s LEU 77 Cb -0.02 1.71 -0.04 0.00 0.50 0.00 0.00 46.19 48.34 1sa8 s LEU 77 CO 0.05 -0.18 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.10 1sa8 s ILE 78 N 2.90 2.96 -0.09 6.68 1.01 0.73 -3.39 121.20 132.00 1sa8 s ILE 78 Ca 0.15 -1.33 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1sa8 s ILE 78 Cb -0.09 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1sa8 s ILE 78 CO -0.21 0.19 -0.22 0.00 0.00 0.00 0.00 174.94 174.70 1sa8 s ALA 79 N -1.08 1.99 -0.16 9.38 0.00 -1.25 0.97 121.76 131.61 1sa8 s ALA 79 Ca 0.18 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1sa8 s ALA 79 Cb -0.11 -0.74 0.07 0.00 0.00 0.00 0.00 23.12 22.34 1sa8 s ALA 79 CO 0.09 0.27 0.35 0.54 0.00 0.00 0.00 175.76 177.02 1sa8 s VAL 80 N 0.33 -0.32 0.05 0.00 0.11 -0.74 -4.20 120.40 115.62 1sa8 s VAL 80 Ca -0.16 0.17 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 1sa8 s VAL 80 Cb -0.17 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.22 1sa8 s VAL 80 CO 0.07 0.07 1.02 -0.60 -3.33 0.00 0.00 175.10 172.34 1sa8 s ARG 81 N 2.02 0.86 0.06 1.54 6.06 -0.65 -3.31 118.95 125.53 1sa8 s ARG 81 Ca -0.04 -0.43 0.07 0.00 -2.50 0.00 0.00 55.73 52.83 1sa8 s ARG 81 Cb -0.11 0.33 -0.03 0.00 0.06 0.00 0.00 34.95 35.20 1sa8 s ARG 81 CO -0.11 -0.39 -0.19 -1.83 -2.50 0.00 0.00 175.30 170.28 1sa8 s GLU 82 N -3.00 1.19 -0.20 5.12 -1.05 -1.26 0.40 118.70 119.89 1sa8 s GLU 82 Ca 0.10 -0.95 -0.08 0.00 -0.15 0.00 0.00 54.97 53.89 1sa8 s GLU 82 Cb -0.00 -1.31 -0.04 0.00 -0.44 0.00 0.00 34.13 32.34 1sa8 s GLU 82 CO -0.03 0.32 0.09 0.96 0.95 0.00 0.00 175.26 177.56 1sa8 s ILE 83 N -0.92 4.96 -0.31 1.83 -0.00 -0.91 -4.60 121.20 121.25 1sa8 s ILE 83 Ca 0.05 0.03 0.01 0.00 -0.00 0.00 0.00 60.65 60.74 1sa8 s ILE 83 Cb -0.09 -3.26 0.14 0.00 -0.00 0.00 0.00 42.46 39.25 1sa8 s ILE 83 CO 0.02 0.43 0.33 -0.44 -0.00 0.00 0.00 174.94 175.28 1sa8 s SER 84 N 0.60 1.40 -1.59 4.36 0.01 -1.26 -4.80 113.70 112.42 1sa8 s SER 84 Ca 0.05 -0.87 -0.15 0.00 1.31 0.00 0.00 55.95 56.28 1sa8 s SER 84 Cb -0.13 0.60 0.11 0.00 0.21 0.00 0.00 66.02 66.82 1sa8 s SER 84 CO 0.01 -0.36 0.93 0.61 0.41 0.00 0.00 173.24 174.84 1sa8 n GLY 85 N 5.11 -0.48 3.80 3.44 0.00 -1.26 -4.81 105.19 110.98 1sa8 n GLY 85 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1sa8 n GLY 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sa8 s ASN 86 N -3.28 -0.10 0.38 1.61 3.84 -1.26 -5.17 114.94 110.96 1sa8 s ASN 86 Ca 0.69 -0.56 0.07 0.00 0.21 0.00 0.00 52.86 53.28 1sa8 s ASN 86 Cb -0.36 0.52 -0.01 0.00 -0.55 0.00 0.00 41.25 40.85 1sa8 s ASN 86 CO 0.86 -1.00 0.44 -1.61 -2.79 0.00 0.00 177.10 173.00 1sa8 s GLU 87 N -2.83 2.79 -0.17 0.43 0.41 -1.26 -4.88 118.70 113.19 1sa8 s GLU 87 Ca 0.16 -1.28 -0.14 0.00 -0.41 0.00 0.00 54.97 53.30 1sa8 s GLU 87 Cb -0.02 -2.61 -0.05 0.00 -1.78 0.00 0.00 34.13 29.67 1sa8 s GLU 87 CO 0.04 -0.10 0.29 -1.17 -0.49 0.00 0.00 175.26 173.83 1sa8 s LEU 88 N -4.18 4.23 0.31 1.80 2.96 -1.20 -4.61 118.68 117.99 1sa8 s LEU 88 Ca 0.48 0.49 0.06 0.00 -0.22 0.00 0.00 54.13 54.95 1sa8 s LEU 88 Cb -0.07 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 1sa8 s LEU 88 CO 0.30 0.09 0.38 -0.63 -1.32 0.00 0.00 176.35 175.17 1sa8 s ILE 89 N 0.54 4.26 -0.06 6.68 1.09 -1.26 -2.25 121.20 130.20 1sa8 s ILE 89 Ca 0.16 -1.11 -0.02 0.00 -1.10 0.00 0.00 60.65 58.58 1sa8 s ILE 89 Cb -0.13 -3.46 0.03 0.00 -1.06 0.00 0.00 42.46 37.84 1sa8 s ILE 89 CO 0.04 -0.22 0.05 -1.58 -0.10 0.00 0.00 174.94 173.13 1sa8 s GLN 90 N -4.06 0.12 -0.15 2.79 0.74 -0.25 -4.70 119.66 114.15 1sa8 s GLN 90 Ca 0.41 0.25 -0.06 0.00 0.05 0.00 0.00 55.36 56.01 1sa8 s GLN 90 Cb -0.08 -0.79 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 1sa8 s GLN 90 CO 0.29 -0.36 0.04 0.99 -0.55 0.00 0.00 175.29 175.70 1sa8 s THR 91 N 2.11 4.60 -0.40 -0.34 2.01 -1.21 -1.42 115.64 120.99 1sa8 s THR 91 Ca 0.05 -0.11 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1sa8 s THR 91 Cb -0.13 -3.03 0.04 0.00 0.01 0.00 0.00 72.50 69.40 1sa8 s THR 91 CO -0.04 0.51 0.25 -0.31 -0.69 0.00 0.00 174.62 174.34 1sa8 s TYR 92 N -0.03 3.26 -0.15 4.92 1.51 0.18 -1.79 117.35 125.26 1sa8 s TYR 92 Ca 0.05 -1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 54.98 1sa8 s TYR 92 Cb -0.12 -2.65 -0.04 0.00 -0.11 0.00 0.00 41.96 39.03 1sa8 s TYR 92 CO 0.01 -0.71 0.09 0.99 -1.11 0.00 0.00 175.55 174.82 1sa8 s THR 93 N 1.54 5.04 -0.13 -0.71 2.01 0.27 -2.22 115.64 121.45 1sa8 s THR 93 Ca 0.03 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.02 1sa8 s THR 93 Cb -0.21 -3.23 0.06 0.00 0.01 0.00 0.00 72.50 69.14 1sa8 s THR 93 CO 0.06 0.53 0.28 -0.47 -0.69 0.00 0.00 174.62 174.34 1sa8 s TYR 94 N -0.29 -0.46 -1.38 4.92 5.04 -0.57 -0.19 117.35 124.41 1sa8 s TYR 94 Ca 0.09 1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 55.67 1sa8 s TYR 94 Cb -0.12 0.03 0.03 0.00 0.35 0.00 0.00 41.96 42.25 1sa8 s TYR 94 CO 0.01 -0.35 0.99 -1.91 -1.34 0.00 0.00 175.55 172.95 1sa8 n GLU 95 N 5.10 -6.29 -1.14 4.97 2.13 -1.26 -1.39 120.64 122.77 1sa8 n GLU 95 Ca -0.11 0.71 -0.05 0.00 0.66 0.00 0.00 57.16 58.37 1sa8 n GLU 95 Cb 0.50 -5.60 -0.02 0.00 0.27 0.00 0.00 31.44 26.60 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 -1.68 0.67 3.70 8.31 0.00 -1.26 -5.00 105.19 109.93 1sa8 n GLY 96 Ca -0.09 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.88 4.75 -0.14 1.61 1.01 -0.48 -5.09 120.40 120.17 1sa8 s VAL 97 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 1sa8 s VAL 97 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1sa8 s VAL 97 CO 0.00 0.55 0.04 -0.70 0.00 0.00 0.00 175.10 174.99 1sa8 s GLU 98 N -0.37 3.60 -0.13 2.72 2.12 -1.26 -1.51 118.70 123.87 1sa8 s GLU 98 Ca 0.09 -0.36 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 1sa8 s GLU 98 Cb -0.12 -3.05 0.05 0.00 0.26 0.00 0.00 34.13 31.27 1sa8 s GLU 98 CO 0.02 0.45 0.06 0.00 -0.54 0.00 0.00 175.26 175.25 1sa8 s ALA 99 N -0.14 0.49 0.07 6.30 0.00 -0.94 -5.00 121.76 122.53 1sa8 s ALA 99 Ca 0.06 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1sa8 s ALA 99 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1sa8 s ALA 99 CO 0.02 -0.91 -0.16 -1.59 0.00 0.00 0.00 175.76 173.12 1sa8 s LYS 100 N 2.09 0.93 0.02 0.00 -2.85 -1.26 0.48 119.74 119.15 1sa8 s LYS 100 Ca 0.03 -0.94 0.08 0.00 -1.00 0.00 0.00 55.97 54.13 1sa8 s LYS 100 Cb -0.15 -0.99 -0.02 0.00 -2.06 0.00 0.00 37.83 34.61 1sa8 s LYS 100 CO -0.07 0.23 -0.23 0.50 0.10 0.00 0.00 175.35 175.88 1sa8 s ARG 101 N -1.60 1.65 -0.22 1.78 6.06 -0.51 -4.97 118.95 121.14 1sa8 s ARG 101 Ca 0.01 -0.94 -0.10 0.00 -2.50 0.00 0.00 55.73 52.19 1sa8 s ARG 101 Cb -0.09 -1.73 -0.05 0.00 0.06 0.00 0.00 34.95 33.14 1sa8 s ARG 101 CO 0.02 0.45 0.14 0.42 -2.50 0.00 0.00 175.30 173.84 1sa8 s ILE 102 N -0.71 5.33 0.36 4.11 1.01 -1.26 -1.09 121.20 128.94 1sa8 s ILE 102 Ca 0.09 0.17 0.06 0.00 0.00 0.00 0.00 60.65 60.97 1sa8 s ILE 102 Cb -0.09 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 1sa8 s ILE 102 CO 0.01 0.38 -0.00 -0.36 0.00 0.00 0.00 174.94 174.97 1sa8 s PHE 103 N 0.81 2.27 0.14 3.97 0.08 -0.95 -4.95 117.98 119.35 1sa8 s PHE 103 Ca 0.07 -0.73 -0.03 0.00 0.12 0.00 0.00 56.93 56.36 1sa8 s PHE 103 Cb -0.13 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1sa8 s PHE 103 CO 0.02 0.33 0.13 -1.59 -0.10 0.00 0.00 175.22 174.00 1sa8 s LYS 104 N -3.75 1.00 0.21 0.44 0.00 -1.26 -3.24 119.74 113.15 1sa8 s LYS 104 Ca 0.34 -1.36 -0.32 0.00 0.00 0.00 0.00 55.97 54.63 1sa8 s LYS 104 Cb 0.08 0.28 -0.14 0.00 0.00 0.00 0.00 37.83 38.05 1sa8 s LYS 104 CO 0.16 -0.31 1.46 1.17 0.00 0.00 0.00 175.35 177.83 1sa8 n LYS 105 N -0.13 2.04 0.00 1.78 0.00 -1.26 0.52 118.16 121.10 1sa8 n LYS 105 Ca -0.06 0.73 0.08 0.00 0.00 0.00 0.00 58.31 59.06 1sa8 n LYS 105 Cb 0.63 -2.43 0.46 0.00 0.00 0.00 0.00 35.03 33.70 1sa8 n LYS 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49