#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sac s THR 2 N 0.00 1.96 -0.43 0.61 2.01 -0.40 -4.82 115.64 114.58 1sac s THR 2 Ca 0.00 -1.05 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 1sac s THR 2 Cb 0.00 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1sac s THR 2 CO 0.00 0.55 0.63 -0.62 -0.69 0.00 0.00 174.62 174.49 1sac s ASP 3 N -0.51 6.33 -0.13 3.53 -1.08 -1.25 -0.99 116.67 122.57 1sac s ASP 3 Ca 0.07 -0.30 0.18 0.00 -0.52 0.00 0.00 52.55 51.98 1sac s ASP 3 Cb -0.10 -2.31 0.73 0.00 -1.46 0.00 0.00 42.92 39.77 1sac s ASP 3 CO -0.00 -0.74 1.64 0.18 0.52 0.00 0.00 175.17 176.77 1sac n LEU 4 N 6.19 4.87 -4.65 -1.34 4.32 -0.52 -4.99 117.00 120.88 1sac n LEU 4 Ca -0.02 -2.53 -0.51 0.00 -0.02 0.00 0.00 56.01 52.93 1sac n LEU 4 Cb 0.48 -0.59 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 1sac n LEU 4 CO 0.52 0.78 1.14 -1.20 -1.22 0.00 0.00 177.39 177.42 1sac n SER 5 N 0.99 2.43 0.00 -1.43 7.64 -1.26 -1.23 113.62 120.76 1sac n SER 5 Ca 0.26 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1sac n SER 5 Cb 0.93 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1sac n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sac n GLY 6 N 3.35 0.67 3.42 0.23 0.00 -1.26 -4.99 105.19 106.61 1sac n GLY 6 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1sac n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sac s LYS 7 N -0.10 1.54 -0.00 1.61 1.02 -0.37 -0.42 119.74 123.02 1sac s LYS 7 Ca 0.00 -1.77 -0.05 0.00 0.02 0.00 0.00 55.97 54.17 1sac s LYS 7 Cb 0.00 -1.19 -0.00 0.00 -0.52 0.00 0.00 37.83 36.12 1sac s LYS 7 CO 0.00 0.06 0.09 0.54 -0.92 0.00 0.00 175.35 175.12 1sac s VAL 8 N -2.98 0.07 -0.06 3.17 0.11 -0.17 -4.48 120.40 116.06 1sac s VAL 8 Ca 0.29 -0.61 -0.23 0.00 -2.93 0.00 0.00 61.98 58.50 1sac s VAL 8 Cb 0.03 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1sac s VAL 8 CO 0.12 -0.33 0.68 -0.36 -3.33 0.00 0.00 175.10 171.87 1sac s PHE 9 N -1.11 3.59 -0.32 1.54 0.08 0.64 -2.04 117.98 120.35 1sac s PHE 9 Ca -0.12 1.23 -0.11 0.00 0.12 0.00 0.00 56.93 58.05 1sac s PHE 9 Cb -0.07 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.60 1sac s PHE 9 CO 0.01 0.12 0.19 0.08 -0.10 0.00 0.00 175.22 175.51 1sac s VAL 10 N 0.67 4.84 -0.57 -0.44 1.01 0.21 -1.43 120.40 124.69 1sac s VAL 10 Ca 0.36 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1sac s VAL 10 Cb -0.18 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1sac s VAL 10 CO 0.18 0.03 0.74 -0.36 0.00 0.00 0.00 175.10 175.69 1sac s PHE 11 N 1.65 2.94 -1.79 5.22 0.40 0.13 -2.08 117.98 124.46 1sac s PHE 11 Ca 0.05 -0.68 0.27 0.00 -0.60 0.00 0.00 56.93 55.97 1sac s PHE 11 Cb -0.17 -3.91 0.96 0.00 0.51 0.00 0.00 43.02 40.40 1sac s PHE 11 CO 0.08 -1.28 1.69 -2.30 0.70 0.00 0.00 175.22 174.11 1sac n PRO 12 N 6.61 0.86 -3.67 0.24 -0.02 -1.26 -2.08 135.00 135.68 1sac n PRO 12 Ca -0.07 -0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 60.87 1sac n PRO 12 Cb 0.44 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 1sac n PRO 12 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sac s ARG 13 N -2.44 1.36 0.11 -0.52 1.70 -1.26 -4.95 118.95 112.95 1sac s ARG 13 Ca 0.27 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.46 1sac s ARG 13 Cb 0.20 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 35.06 1sac s ARG 13 CO 0.49 -0.58 0.97 -2.00 -1.08 0.00 0.00 175.30 173.10 1sac s GLU 14 N -3.84 4.68 0.21 3.89 2.12 -1.26 -4.74 118.70 119.75 1sac s GLU 14 Ca 0.07 1.47 -0.23 0.00 0.36 0.00 0.00 54.97 56.64 1sac s GLU 14 Cb -0.01 -3.38 0.06 0.00 0.26 0.00 0.00 34.13 31.06 1sac s GLU 14 CO -0.05 0.18 0.92 -1.54 -0.54 0.00 0.00 175.26 174.24 1sac s SER 15 N 0.07 -0.12 -0.03 -1.70 1.04 -1.26 -5.02 113.70 106.68 1sac s SER 15 Ca 0.48 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1sac s SER 15 Cb -0.24 0.57 0.22 0.00 0.10 0.00 0.00 66.02 66.68 1sac s SER 15 CO 0.30 -1.08 1.18 0.55 0.98 0.00 0.00 173.24 175.16 1sac n VAL 16 N -0.53 1.21 0.03 5.02 3.14 -1.26 -4.48 118.33 121.46 1sac n VAL 16 Ca -0.05 -1.19 0.00 0.00 -2.96 0.00 0.00 64.34 60.13 1sac n VAL 16 Cb 0.60 0.36 0.00 0.00 -1.06 0.00 0.00 33.84 33.74 1sac n VAL 16 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1sac n THR 17 N -0.10 0.54 -1.76 1.55 -1.04 -1.26 -4.79 114.28 107.43 1sac n THR 17 Ca 0.09 0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.86 1sac n THR 17 Cb 0.43 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 1sac n THR 17 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1sac s ASP 18 N -5.43 6.41 0.12 8.00 1.01 -1.26 -4.77 116.67 120.75 1sac s ASP 18 Ca 0.00 2.82 -0.26 0.00 0.71 0.00 0.00 52.55 55.82 1sac s ASP 18 Cb 0.00 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.41 1sac s ASP 18 CO 0.00 -0.96 1.05 -1.38 0.21 0.00 0.00 175.17 174.09 1sac s HIS 19 N 1.39 -0.08 -0.05 4.23 -3.43 -0.49 -4.49 115.29 112.37 1sac s HIS 19 Ca 0.75 -0.19 0.01 0.00 -0.80 0.00 0.00 55.06 54.82 1sac s HIS 19 Cb -0.48 0.63 0.02 0.00 -1.43 0.00 0.00 32.58 31.32 1sac s HIS 19 CO 0.32 -0.72 -0.04 0.08 -2.00 0.00 0.00 174.74 172.39 1sac s VAL 20 N -2.93 0.50 -0.30 -5.38 1.01 -0.64 -0.92 120.40 111.73 1sac s VAL 20 Ca 0.14 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1sac s VAL 20 Cb -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1sac s VAL 20 CO 0.01 0.22 0.49 0.20 0.00 0.00 0.00 175.10 176.03 1sac s ASN 21 N 1.03 6.35 -0.02 3.32 0.01 0.13 -1.53 114.94 124.23 1sac s ASN 21 Ca -0.09 0.25 -0.23 0.00 -0.71 0.00 0.00 52.86 52.08 1sac s ASN 21 Cb -0.14 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 1sac s ASN 21 CO -0.01 -0.35 0.68 -0.76 -1.51 0.00 0.00 177.10 175.15 1sac s LEU 22 N 2.30 4.38 -0.14 0.60 1.02 -0.26 -1.50 118.68 125.09 1sac s LEU 22 Ca 0.19 1.23 -0.00 0.00 0.02 0.00 0.00 54.13 55.57 1sac s LEU 22 Cb -0.16 -3.06 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 1sac s LEU 22 CO 0.11 -0.01 -0.13 -0.63 0.02 0.00 0.00 176.35 175.71 1sac s ILE 23 N 0.26 3.01 -0.03 -0.59 1.01 0.19 -4.12 121.20 120.93 1sac s ILE 23 Ca 0.35 -0.67 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 1sac s ILE 23 Cb -0.18 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.04 1sac s ILE 23 CO 0.19 0.52 0.06 0.28 0.00 0.00 0.00 174.94 175.98 1sac s THR 24 N 0.49 -0.05 -1.25 2.92 -1.32 -1.26 -4.44 115.64 110.73 1sac s THR 24 Ca -0.09 0.17 -0.18 0.00 -1.21 0.00 0.00 61.69 60.38 1sac s THR 24 Cb -0.16 -0.12 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 1sac s THR 24 CO 0.04 0.07 1.95 -0.81 -2.21 0.00 0.00 174.62 173.66 1sac n PRO 25 N 3.98 2.59 -3.27 7.08 -0.04 -1.26 -4.84 135.00 139.23 1sac n PRO 25 Ca -0.25 -2.73 -0.43 0.00 -0.04 0.00 0.00 63.50 60.05 1sac n PRO 25 Cb 0.52 -3.39 -0.08 0.00 -0.04 0.00 0.00 33.50 30.51 1sac n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1sac s LEU 26 N 4.29 4.85 -0.04 1.53 2.96 -1.26 -4.90 118.68 126.10 1sac s LEU 26 Ca 0.55 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1sac s LEU 26 Cb 0.08 -2.44 -0.08 0.00 0.50 0.00 0.00 46.19 44.25 1sac s LEU 26 CO 0.04 -0.65 0.05 1.21 -1.32 0.00 0.00 176.35 175.69 1sac n GLU 27 N 5.75 2.32 -3.56 1.98 4.07 -1.26 -0.56 120.64 129.38 1sac n GLU 27 Ca -0.06 -0.02 -0.37 0.00 -0.06 0.00 0.00 57.16 56.65 1sac n GLU 27 Cb 0.47 -1.15 -0.06 0.00 -0.06 0.00 0.00 31.44 30.64 1sac n GLU 27 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1sac s LYS 28 N -2.21 3.96 0.46 5.31 2.20 -1.26 -4.71 119.74 123.48 1sac s LYS 28 Ca -0.03 0.23 -0.24 0.00 -0.36 0.00 0.00 55.97 55.58 1sac s LYS 28 Cb 0.02 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 1sac s LYS 28 CO 0.24 0.54 1.10 -2.30 -0.36 0.00 0.00 175.35 174.57 1sac n PRO 29 N 2.48 1.47 -3.16 4.03 -0.02 -1.26 -4.56 135.00 133.97 1sac n PRO 29 Ca -0.14 0.53 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 1sac n PRO 29 Cb 0.53 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 1sac n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sac s LEU 30 N -1.28 4.36 -0.14 2.45 1.02 0.07 -4.92 118.68 120.25 1sac s LEU 30 Ca 0.65 1.12 0.07 0.00 0.02 0.00 0.00 54.13 55.99 1sac s LEU 30 Cb -0.51 -2.95 -0.13 0.00 0.02 0.00 0.00 46.19 42.61 1sac s LEU 30 CO 0.55 0.00 -0.04 0.00 0.02 0.00 0.00 176.35 176.89 1sac n GLN 31 N 3.26 1.29 -4.79 1.70 6.02 -1.26 -2.36 117.38 121.23 1sac n GLN 31 Ca -0.05 0.04 -0.25 0.00 -0.01 0.00 0.00 57.00 56.73 1sac n GLN 31 Cb 0.51 -1.32 -0.16 0.00 1.02 0.00 0.00 30.24 30.30 1sac n GLN 31 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1sac s ASN 32 N -4.97 1.99 0.04 1.08 0.01 -1.26 -0.84 114.94 111.00 1sac s ASN 32 Ca -0.13 -0.31 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 1sac s ASN 32 Cb 0.04 -0.35 0.02 0.00 0.41 0.00 0.00 41.25 41.37 1sac s ASN 32 CO 0.45 0.18 0.27 0.72 -1.51 0.00 0.00 177.10 177.21 1sac s PHE 33 N -0.22 -0.07 0.06 2.20 -0.12 -0.98 -3.78 117.98 115.07 1sac s PHE 33 Ca 0.03 -0.08 0.05 0.00 -0.05 0.00 0.00 56.93 56.88 1sac s PHE 33 Cb -0.08 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.34 1sac s PHE 33 CO 0.00 -0.48 -0.15 0.95 -0.05 0.00 0.00 175.22 175.50 1sac s THR 34 N -2.49 1.17 -0.16 -4.49 -4.23 -0.19 -1.74 115.64 103.51 1sac s THR 34 Ca -0.05 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.28 1sac s THR 34 Cb -0.01 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.76 1sac s THR 34 CO -0.03 -0.10 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.55 1sac s LEU 35 N -1.47 1.96 -0.03 4.79 2.96 0.26 -1.21 118.68 125.94 1sac s LEU 35 Ca 0.00 -0.58 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1sac s LEU 35 Cb -0.09 -1.36 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1sac s LEU 35 CO 0.02 -0.01 -0.24 0.00 -1.32 0.00 0.00 176.35 174.80 1sac s PHE 37 N -0.45 -0.19 -0.03 0.00 -0.12 -0.43 -1.04 117.98 115.73 1sac s PHE 37 Ca 0.06 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1sac s PHE 37 Cb -0.10 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1sac s PHE 37 CO 0.00 -1.15 -0.08 1.03 -0.05 0.00 0.00 175.22 174.97 1sac s ARG 38 N -3.90 2.59 0.01 1.99 0.52 -0.15 -1.22 118.95 118.80 1sac s ARG 38 Ca 0.11 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.58 1sac s ARG 38 Cb -0.05 -2.50 -0.00 0.00 0.52 0.00 0.00 34.95 32.92 1sac s ARG 38 CO 0.04 0.62 0.13 0.00 0.02 0.00 0.00 175.30 176.11 1sac s ALA 39 N -0.89 -0.27 -0.23 2.13 0.00 0.14 -2.30 121.76 120.34 1sac s ALA 39 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1sac s ALA 39 Cb -0.11 0.14 0.09 0.00 0.00 0.00 0.00 23.12 23.24 1sac s ALA 39 CO 0.04 -0.23 0.15 -0.47 0.00 0.00 0.00 175.76 175.26 1sac s TYR 40 N -1.62 0.07 0.03 0.00 5.04 -0.60 -1.09 117.35 119.17 1sac s TYR 40 Ca -0.13 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1sac s TYR 40 Cb -0.07 -0.68 -0.02 0.00 0.35 0.00 0.00 41.96 41.55 1sac s TYR 40 CO 0.00 -0.69 -0.05 0.45 -1.34 0.00 0.00 175.55 173.92 1sac s SER 41 N 2.19 0.57 -0.16 4.32 0.15 -1.26 -1.22 113.70 118.28 1sac s SER 41 Ca 0.06 -0.44 0.17 0.00 0.70 0.00 0.00 55.95 56.44 1sac s SER 41 Cb -0.16 0.04 0.39 0.00 -1.71 0.00 0.00 66.02 64.59 1sac s SER 41 CO -0.23 -0.19 1.26 -0.90 1.20 0.00 0.00 173.24 174.39 1sac n ASP 42 N 1.79 2.84 -4.73 5.45 5.68 -1.26 -4.59 116.55 121.73 1sac n ASP 42 Ca -0.21 -3.15 -0.42 0.00 -0.50 0.00 0.00 54.79 50.51 1sac n ASP 42 Cb 0.56 -0.49 -0.03 0.00 -1.14 0.00 0.00 41.12 40.02 1sac n ASP 42 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1sac s LEU 43 N -2.90 4.36 -0.01 -2.12 1.02 -1.26 -4.96 118.68 112.81 1sac s LEU 43 Ca 0.36 2.88 0.18 0.00 0.02 0.00 0.00 54.13 57.57 1sac s LEU 43 Cb 0.31 -3.61 -0.19 0.00 0.02 0.00 0.00 46.19 42.72 1sac s LEU 43 CO 0.04 -0.95 0.60 -1.20 0.02 0.00 0.00 176.35 174.86 1sac n SER 44 N 3.58 0.50 -4.54 2.29 7.64 -1.26 -4.96 113.62 116.86 1sac n SER 44 Ca 0.14 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 1sac n SER 44 Cb 0.36 0.73 0.17 0.00 -1.01 0.00 0.00 64.21 64.46 1sac n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sac s ARG 45 N -2.97 0.45 0.54 1.43 1.70 -1.26 -4.67 118.95 114.16 1sac s ARG 45 Ca -0.05 0.24 -0.21 0.00 -0.47 0.00 0.00 55.73 55.24 1sac s ARG 45 Cb 0.09 -1.76 -0.05 0.00 -0.57 0.00 0.00 34.95 32.66 1sac s ARG 45 CO 0.83 -2.66 1.24 0.00 -1.08 0.00 0.00 175.30 173.64 1sac s ALA 46 N -3.18 2.75 0.03 7.88 0.00 -1.23 -4.78 121.76 123.23 1sac s ALA 46 Ca 0.66 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 53.55 1sac s ALA 46 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1sac s ALA 46 CO 0.55 -1.09 0.36 1.52 0.00 0.00 0.00 175.76 177.11 1sac s TYR 47 N -1.49 -0.20 -0.00 0.00 -0.85 -0.47 -4.55 117.35 109.78 1sac s TYR 47 Ca 0.72 0.15 -0.26 0.00 -0.52 0.00 0.00 57.07 57.16 1sac s TYR 47 Cb -0.33 0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 1sac s TYR 47 CO 0.38 -0.52 0.80 0.45 -1.52 0.00 0.00 175.55 175.14 1sac s SER 48 N -1.91 7.18 -0.21 -0.18 0.15 -0.53 -0.45 113.70 117.76 1sac s SER 48 Ca -0.06 1.42 0.11 0.00 0.70 0.00 0.00 55.95 58.11 1sac s SER 48 Cb -0.01 -2.48 -0.22 0.00 -1.71 0.00 0.00 66.02 61.60 1sac s SER 48 CO -0.02 -0.10 0.02 0.18 1.20 0.00 0.00 173.24 174.53 1sac n LEU 49 N 3.41 1.24 -3.43 3.45 4.77 -0.41 -4.43 117.00 121.60 1sac n LEU 49 Ca 0.00 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1sac n LEU 49 Cb 0.51 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1sac n LEU 49 CO 0.48 0.66 0.20 0.12 -1.33 0.00 0.00 177.39 177.53 1sac s PHE 50 N -2.51 -1.43 -0.18 -1.77 2.19 -1.13 -4.61 117.98 108.54 1sac s PHE 50 Ca -0.19 2.01 0.00 0.00 0.33 0.00 0.00 56.93 59.09 1sac s PHE 50 Cb 0.07 0.67 0.01 0.00 -1.31 0.00 0.00 43.02 42.47 1sac s PHE 50 CO 0.75 -0.75 -0.18 0.45 1.83 0.00 0.00 175.22 177.32 1sac s SER 51 N 2.86 3.35 -0.29 6.13 0.15 -0.61 -1.68 113.70 123.61 1sac s SER 51 Ca 0.06 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 56.11 1sac s SER 51 Cb -0.13 -1.52 0.09 0.00 -1.71 0.00 0.00 66.02 62.75 1sac s SER 51 CO -0.20 0.01 0.09 -0.47 1.20 0.00 0.00 173.24 173.88 1sac s TYR 52 N 1.22 1.52 0.07 3.44 6.14 -0.42 0.05 117.35 129.38 1sac s TYR 52 Ca 0.03 -1.55 0.06 0.00 0.64 0.00 0.00 57.07 56.25 1sac s TYR 52 Cb -0.14 -1.55 -0.04 0.00 0.42 0.00 0.00 41.96 40.66 1sac s TYR 52 CO -0.09 -0.83 -0.09 -0.80 0.64 0.00 0.00 175.55 174.38 1sac s ASN 53 N 1.68 4.47 0.44 4.32 -0.87 -0.92 -1.81 114.94 122.26 1sac s ASN 53 Ca 0.08 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 51.07 1sac s ASN 53 Cb -0.17 -0.92 -0.00 0.00 -0.02 0.00 0.00 41.25 40.14 1sac s ASN 53 CO -0.23 0.21 0.03 0.35 -2.57 0.00 0.00 177.10 174.89 1sac n THR 54 N 0.95 0.00 -1.64 1.60 -2.24 -0.85 -1.21 114.28 110.89 1sac n THR 54 Ca -0.14 -2.18 -0.45 0.00 -2.27 0.00 0.00 64.05 59.02 1sac n THR 54 Cb 0.52 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 1sac n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sac n GLN 55 N -1.07 2.34 -0.91 -0.78 6.02 -1.26 -1.07 117.38 120.65 1sac n GLN 55 Ca -0.16 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1sac n GLN 55 Cb 0.58 -2.93 0.00 0.00 1.02 0.00 0.00 30.24 28.91 1sac n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sac n GLY 56 N 4.94 0.35 3.00 1.08 0.00 -1.26 -4.99 105.19 108.32 1sac n GLY 56 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1sac n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sac s ARG 57 N -0.79 2.08 0.41 1.61 1.81 -0.23 -5.11 118.95 118.74 1sac s ARG 57 Ca 0.00 -0.81 -0.16 0.00 -1.72 0.00 0.00 55.73 53.03 1sac s ARG 57 Cb 0.00 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 32.03 1sac s ARG 57 CO 0.00 -0.40 0.86 0.34 -0.68 0.00 0.00 175.30 175.42 1sac s ASP 58 N 1.40 6.75 -1.48 0.23 2.15 -1.26 -2.00 116.67 122.46 1sac s ASP 58 Ca -0.00 1.45 -0.12 0.00 0.43 0.00 0.00 52.55 54.30 1sac s ASP 58 Cb -0.16 -2.45 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 1sac s ASP 58 CO -0.09 -0.37 1.05 0.59 -0.17 0.00 0.00 175.17 176.18 1sac n ASN 59 N -0.89 -5.38 0.02 -0.34 3.02 -1.26 -4.23 115.26 106.20 1sac n ASN 59 Ca 0.05 -0.70 -0.04 0.00 -0.03 0.00 0.00 54.58 53.86 1sac n ASN 59 Cb 0.54 -4.27 0.17 0.00 -0.61 0.00 0.00 39.78 35.61 1sac n ASN 59 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sac h GLU 60 N -2.29 0.48 -1.79 3.52 4.57 -1.74 -1.03 114.58 116.29 1sac h GLU 60 Ca -0.58 -0.20 -0.19 0.00 -1.18 0.00 0.00 59.36 57.21 1sac h GLU 60 Cb 1.37 -0.02 -0.29 0.00 -0.16 0.00 0.00 28.75 29.66 1sac h GLU 60 CO 0.64 0.74 -0.52 -1.17 -1.18 0.00 0.00 179.01 177.51 1sac s LEU 61 N -8.57 -0.70 -0.12 1.64 2.96 -0.75 -1.61 118.68 111.54 1sac s LEU 61 Ca -0.07 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1sac s LEU 61 Cb 0.13 1.07 0.02 0.00 0.50 0.00 0.00 46.19 47.92 1sac s LEU 61 CO 0.80 -0.34 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.17 1sac s LEU 62 N 2.53 1.37 -0.30 -0.68 2.96 -0.80 -1.30 118.68 122.46 1sac s LEU 62 Ca 0.11 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1sac s LEU 62 Cb -0.14 -0.93 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 1sac s LEU 62 CO -0.26 -0.08 0.15 -0.69 -1.32 0.00 0.00 176.35 174.15 1sac s VAL 63 N 1.51 4.58 -0.03 1.68 1.01 -0.68 -0.31 120.40 128.17 1sac s VAL 63 Ca 0.02 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1sac s VAL 63 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1sac s VAL 63 CO -0.07 0.09 -0.07 -0.47 0.00 0.00 0.00 175.10 174.58 1sac s TYR 64 N 1.61 0.82 -0.33 5.22 5.04 -0.01 -1.29 117.35 128.41 1sac s TYR 64 Ca 0.05 -0.21 -0.12 0.00 -2.44 0.00 0.00 57.07 54.35 1sac s TYR 64 Cb -0.17 -0.62 -0.02 0.00 0.35 0.00 0.00 41.96 41.51 1sac s TYR 64 CO 0.06 -0.11 0.22 0.21 -1.34 0.00 0.00 175.55 174.59 1sac s LYS 65 N 0.33 3.52 -0.06 4.97 2.20 0.41 -0.13 119.74 130.99 1sac s LYS 65 Ca -0.05 -0.62 -0.27 0.00 -0.36 0.00 0.00 55.97 54.68 1sac s LYS 65 Cb -0.09 -3.74 -0.22 0.00 -1.51 0.00 0.00 37.83 32.27 1sac s LYS 65 CO 0.00 -0.40 1.10 0.93 -0.36 0.00 0.00 175.35 176.62 1sac h GLU 66 N 8.45 -0.01 -2.53 4.03 4.39 -1.71 -1.26 114.58 125.94 1sac h GLU 66 Ca -0.32 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.52 1sac h GLU 66 Cb 1.16 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 1sac h GLU 66 CO 0.62 0.63 0.47 -0.98 -1.16 0.00 0.00 179.01 178.59 1sac s ARG 67 N -3.60 1.41 0.03 2.33 1.70 -1.24 -3.50 118.95 116.09 1sac s ARG 67 Ca -0.17 -0.84 -0.35 0.00 -0.47 0.00 0.00 55.73 53.90 1sac s ARG 67 Cb 0.00 0.44 -0.14 0.00 -0.57 0.00 0.00 34.95 34.68 1sac s ARG 67 CO 0.67 -0.65 1.61 0.28 -1.08 0.00 0.00 175.30 176.12 1sac n VAL 68 N -0.55 0.17 -0.78 4.99 0.31 -1.26 -1.49 118.33 119.72 1sac n VAL 68 Ca -0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1sac n VAL 68 Cb 0.60 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1sac n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sac n GLY 69 N 3.51 0.67 2.71 2.92 0.00 -1.26 -5.00 105.19 108.74 1sac n GLY 69 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1sac n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sac s GLU 70 N -0.22 0.42 -0.01 1.61 2.12 -0.55 -1.33 118.70 120.75 1sac s GLU 70 Ca 0.00 -0.12 0.07 0.00 0.36 0.00 0.00 54.97 55.28 1sac s GLU 70 Cb 0.00 -1.59 -0.02 0.00 0.26 0.00 0.00 34.13 32.77 1sac s GLU 70 CO 0.00 -0.53 -0.22 0.71 -0.54 0.00 0.00 175.26 174.68 1sac s TYR 71 N 1.99 2.44 0.11 5.30 2.02 -0.72 -2.08 117.35 126.41 1sac s TYR 71 Ca 0.02 -0.35 0.09 0.00 -0.37 0.00 0.00 57.07 56.46 1sac s TYR 71 Cb -0.15 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 1sac s TYR 71 CO -0.07 0.08 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.65 1sac s SER 72 N -0.84 2.66 -0.07 2.29 0.01 0.81 -1.65 113.70 116.91 1sac s SER 72 Ca 0.11 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1sac s SER 72 Cb -0.10 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.00 1sac s SER 72 CO 0.01 0.06 -0.08 -0.22 0.41 0.00 0.00 173.24 173.42 1sac s LEU 73 N -2.03 1.38 -0.14 2.44 2.96 -0.63 -0.83 118.68 121.83 1sac s LEU 73 Ca 0.09 -0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1sac s LEU 73 Cb -0.09 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1sac s LEU 73 CO 0.05 -0.04 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.71 1sac s TYR 74 N 1.04 3.08 -0.20 5.38 1.51 0.57 -1.66 117.35 127.07 1sac s TYR 74 Ca -0.08 -0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 1sac s TYR 74 Cb -0.14 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 1sac s TYR 74 CO -0.00 0.12 -0.00 0.42 -1.11 0.00 0.00 175.55 174.97 1sac s ILE 75 N 0.03 0.90 -1.27 2.71 -1.09 0.14 -1.91 121.20 120.70 1sac s ILE 75 Ca 0.01 -0.76 -0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1sac s ILE 75 Cb -0.13 -1.29 0.00 0.00 -1.58 0.00 0.00 42.46 39.47 1sac s ILE 75 CO 0.02 -0.13 0.85 0.61 -1.23 0.00 0.00 174.94 175.06 1sac n GLY 76 N 4.91 -0.33 3.40 6.18 0.00 -0.63 -1.95 105.19 116.78 1sac n GLY 76 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1sac n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sac n ARG 77 N -4.25 0.00 -3.32 1.61 1.74 -0.40 -4.97 116.66 107.07 1sac n ARG 77 Ca -0.28 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.49 1sac n ARG 77 Cb 0.67 -2.34 -0.05 0.00 -1.02 0.00 0.00 32.46 29.72 1sac n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1sac s HIS 78 N -2.74 3.42 -0.01 -1.55 3.76 -0.82 -5.05 115.29 112.30 1sac s HIS 78 Ca 0.00 0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 55.82 1sac s HIS 78 Cb 0.00 -2.32 -0.00 0.00 1.11 0.00 0.00 32.58 31.37 1sac s HIS 78 CO 0.00 0.20 0.07 0.21 -0.85 0.00 0.00 174.74 174.37 1sac s LYS 79 N -2.97 0.28 0.13 1.40 2.20 -1.26 0.24 119.74 119.76 1sac s LYS 79 Ca 0.49 -0.26 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1sac s LYS 79 Cb -0.11 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 1sac s LYS 79 CO 0.22 -0.06 -0.13 0.14 -0.36 0.00 0.00 175.35 175.16 1sac s VAL 80 N -0.85 1.25 0.00 4.02 -7.23 -0.66 -5.00 120.40 111.93 1sac s VAL 80 Ca -0.09 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1sac s VAL 80 Cb -0.06 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 1sac s VAL 80 CO 0.00 -0.51 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.35 1sac s THR 81 N -2.46 0.28 0.01 5.32 2.01 -1.26 -1.61 115.64 117.93 1sac s THR 81 Ca 0.10 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1sac s THR 81 Cb -0.03 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1sac s THR 81 CO 0.02 0.02 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.49 1sac s SER 82 N -0.25 0.45 0.07 3.53 0.01 -0.66 -4.99 113.70 111.87 1sac s SER 82 Ca -0.00 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.03 1sac s SER 82 Cb -0.02 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 1sac s SER 82 CO -0.00 -0.09 0.04 -0.54 0.41 0.00 0.00 173.24 173.07 1sac s LYS 83 N -0.70 2.75 0.02 12.44 1.02 -1.26 -1.76 119.74 132.25 1sac s LYS 83 Ca -0.05 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 1sac s LYS 83 Cb -0.05 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1sac s LYS 83 CO -0.00 0.56 0.02 0.54 -0.92 0.00 0.00 175.35 175.55 1sac s VAL 84 N -1.33 0.11 -0.01 3.17 0.11 -0.44 -4.72 120.40 117.29 1sac s VAL 84 Ca 0.27 -0.89 -0.30 0.00 -2.93 0.00 0.00 61.98 58.13 1sac s VAL 84 Cb -0.12 -0.37 -0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1sac s VAL 84 CO 0.19 -0.49 1.61 -0.63 -3.33 0.00 0.00 175.10 172.46 1sac s ILE 85 N -1.56 3.46 0.05 7.04 1.01 -1.26 -4.49 121.20 125.44 1sac s ILE 85 Ca -0.15 0.71 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 1sac s ILE 85 Cb -0.09 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.96 1sac s ILE 85 CO -0.01 -0.04 0.36 -1.83 0.00 0.00 0.00 174.94 173.43 1sac s GLU 86 N 3.39 0.88 0.33 2.79 -1.05 -1.26 -5.04 118.70 118.73 1sac s GLU 86 Ca 0.72 -0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 54.95 1sac s GLU 86 Cb -0.35 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 33.64 1sac s GLU 86 CO 0.30 -0.29 0.76 0.15 0.95 0.00 0.00 175.26 177.12 1sac s LYS 87 N -2.55 4.03 -0.03 -4.83 1.02 -1.26 -4.83 119.74 111.29 1sac s LYS 87 Ca -0.05 0.72 -0.00 0.00 0.02 0.00 0.00 55.97 56.66 1sac s LYS 87 Cb -0.01 -2.42 0.03 0.00 -0.52 0.00 0.00 37.83 34.91 1sac s LYS 87 CO -0.03 0.14 0.02 0.12 -0.92 0.00 0.00 175.35 174.69 1sac s PHE 88 N -1.99 0.11 0.32 3.18 5.36 -1.26 -3.57 117.98 120.13 1sac s PHE 88 Ca 0.55 0.11 -0.25 0.00 -0.96 0.00 0.00 56.93 56.37 1sac s PHE 88 Cb -0.10 -0.31 -0.10 0.00 -0.34 0.00 0.00 43.02 42.17 1sac s PHE 88 CO 0.17 -0.11 0.92 -2.14 -1.46 0.00 0.00 175.22 172.60 1sac s PRO 89 N 1.18 4.53 0.01 10.12 0.02 -1.26 -5.20 135.00 144.41 1sac s PRO 89 Ca -0.08 1.27 -0.18 0.00 0.02 0.00 0.00 61.00 62.04 1sac s PRO 89 Cb -0.13 -2.77 0.03 0.00 0.02 0.00 0.00 34.50 31.65 1sac s PRO 89 CO -0.03 0.27 0.40 0.00 -0.33 0.00 0.00 177.00 177.31 1sac s ALA 90 N -1.64 -0.98 0.53 -1.55 0.00 -1.23 -5.11 121.76 111.78 1sac s ALA 90 Ca 0.50 0.40 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 1sac s ALA 90 Cb -0.18 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1sac s ALA 90 CO 0.23 -0.37 1.35 -2.30 0.00 0.00 0.00 175.76 174.67 1sac n PRO 91 N 0.83 1.74 -3.96 0.00 -0.02 -1.26 -4.67 135.00 127.66 1sac n PRO 91 Ca -0.20 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 61.76 1sac n PRO 91 Cb 0.58 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 1sac n PRO 91 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1sac s VAL 92 N -1.28 0.19 -0.24 -1.45 0.11 -0.25 -5.01 120.40 112.47 1sac s VAL 92 Ca 0.70 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 59.67 1sac s VAL 92 Cb -0.42 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1sac s VAL 92 CO 0.50 0.12 0.19 -2.28 -3.33 0.00 0.00 175.10 170.31 1sac s HIS 93 N 0.73 3.31 -0.11 1.54 2.46 -1.26 -0.68 115.29 121.28 1sac s HIS 93 Ca -0.07 0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.73 1sac s HIS 93 Cb -0.10 -2.31 -0.01 0.00 -0.13 0.00 0.00 32.58 30.02 1sac s HIS 93 CO -0.01 0.03 -0.17 0.42 -2.47 0.00 0.00 174.74 172.54 1sac s ILE 94 N 1.17 2.75 0.06 0.89 1.01 -0.35 -0.60 121.20 126.12 1sac s ILE 94 Ca 0.09 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1sac s ILE 94 Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 1sac s ILE 94 CO 0.06 0.54 -0.25 0.00 0.00 0.00 0.00 174.94 175.28 1sac s VAL 96 N -0.87 -0.04 0.17 0.00 0.11 0.88 -0.74 120.40 119.91 1sac s VAL 96 Ca 0.13 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.40 1sac s VAL 96 Cb -0.10 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1sac s VAL 96 CO 0.03 0.06 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.88 1sac s SER 97 N 0.83 4.57 -0.05 3.54 1.04 -0.21 -0.58 113.70 122.85 1sac s SER 97 Ca -0.07 -0.45 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 1sac s SER 97 Cb -0.09 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.14 1sac s SER 97 CO -0.03 0.11 0.14 0.86 0.98 0.00 0.00 173.24 175.29 1sac s TRP 98 N -1.65 -0.15 -0.23 5.02 -0.00 -0.71 -1.54 118.94 119.67 1sac s TRP 98 Ca 0.26 0.39 0.01 0.00 -0.00 0.00 0.00 56.10 56.76 1sac s TRP 98 Cb -0.09 0.03 0.04 0.00 -0.00 0.00 0.00 33.47 33.44 1sac s TRP 98 CO 0.17 -0.09 -0.13 -1.21 -0.00 0.00 0.00 176.95 175.69 1sac s GLU 99 N 0.30 2.65 0.18 5.86 2.02 -0.95 -2.31 118.70 126.45 1sac s GLU 99 Ca -0.02 -1.07 -0.11 0.00 0.02 0.00 0.00 54.97 53.79 1sac s GLU 99 Cb -0.03 -2.80 0.08 0.00 0.10 0.00 0.00 34.13 31.48 1sac s GLU 99 CO -0.01 -0.40 1.71 1.03 0.02 0.00 0.00 175.26 177.60 1sac h SER 100 N 7.89 0.89 -0.11 -0.19 0.87 -1.28 0.29 113.55 121.91 1sac h SER 100 Ca -0.32 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 59.96 1sac h SER 100 Cb 1.09 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 1sac h SER 100 CO 0.55 0.86 -0.16 0.77 -0.53 0.00 0.00 176.83 178.33 1sac h SER 101 N 0.88 0.47 0.00 6.23 4.64 -1.91 0.29 113.55 124.15 1sac h SER 101 Ca 0.20 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 1sac h SER 101 Cb 0.29 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1sac h SER 101 CO -0.01 0.66 -2.01 -1.54 -0.87 0.00 0.00 176.83 173.06 1sac n SER 102 N -4.18 0.59 0.00 4.97 3.41 -1.21 -4.69 113.62 112.50 1sac n SER 102 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sac n SER 102 Cb 0.34 1.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 1sac n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sac n GLY 103 N 1.59 0.88 3.70 5.00 0.00 1.00 -4.74 105.19 112.61 1sac n GLY 103 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1sac n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sac s ILE 104 N -3.47 4.56 -0.24 -0.61 -1.09 -1.16 -0.71 121.20 118.49 1sac s ILE 104 Ca 0.00 1.85 -0.14 0.00 -2.23 0.00 0.00 60.65 60.13 1sac s ILE 104 Cb 0.00 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1sac s ILE 104 CO 0.00 0.06 0.33 0.00 -1.23 0.00 0.00 174.94 174.10 1sac s ALA 105 N 1.65 3.57 -0.17 9.38 0.00 -0.26 -2.24 121.76 133.70 1sac s ALA 105 Ca 0.53 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 1sac s ALA 105 Cb -0.22 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1sac s ALA 105 CO 0.23 -0.41 0.03 -1.21 0.00 0.00 0.00 175.76 174.39 1sac s GLU 106 N 1.54 3.84 -0.15 0.00 2.02 -0.59 -2.94 118.70 122.43 1sac s GLU 106 Ca 0.14 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 1sac s GLU 106 Cb -0.15 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 30.94 1sac s GLU 106 CO 0.08 0.28 0.12 -0.06 0.02 0.00 0.00 175.26 175.70 1sac s PHE 107 N 0.31 3.47 -0.18 1.61 0.08 -1.26 -1.04 117.98 120.97 1sac s PHE 107 Ca 0.01 0.40 -0.00 0.00 0.12 0.00 0.00 56.93 57.45 1sac s PHE 107 Cb -0.13 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.32 1sac s PHE 107 CO 0.01 0.53 -0.15 -1.58 -0.10 0.00 0.00 175.22 173.93 1sac s TRP 108 N -0.47 2.81 -0.25 0.36 0.52 0.08 -0.71 118.94 121.27 1sac s TRP 108 Ca 0.12 -1.25 0.00 0.00 0.02 0.00 0.00 56.10 54.99 1sac s TRP 108 Cb -0.12 -1.94 0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1sac s TRP 108 CO 0.02 -0.61 -0.08 0.42 0.02 0.00 0.00 176.95 176.71 1sac s ILE 109 N 1.12 2.58 -1.47 2.03 -1.09 0.16 -0.58 121.20 123.97 1sac s ILE 109 Ca 0.01 -1.26 -0.05 0.00 -2.23 0.00 0.00 60.65 57.11 1sac s ILE 109 Cb -0.14 -2.38 0.04 0.00 -1.58 0.00 0.00 42.46 38.40 1sac s ILE 109 CO -0.05 0.12 0.61 0.59 -1.23 0.00 0.00 174.94 174.97 1sac n ASN 110 N 4.58 -1.61 0.00 3.58 3.02 0.23 -1.59 115.26 123.47 1sac n ASN 110 Ca -0.16 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 1sac n ASN 110 Cb 0.45 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1sac n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sac n GLY 111 N -1.77 1.51 3.71 7.41 0.00 -1.26 -5.02 105.19 109.77 1sac n GLY 111 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1sac n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sac s THR 112 N -3.22 5.16 0.03 2.61 2.01 -0.62 -5.00 115.64 116.61 1sac s THR 112 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1sac s THR 112 Cb 0.00 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1sac s THR 112 CO 0.00 0.48 0.99 -2.16 -0.69 0.00 0.00 174.62 173.23 1sac s PRO 113 N 0.14 4.59 0.98 4.92 0.04 -1.26 -0.66 135.00 143.74 1sac s PRO 113 Ca 0.07 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 1sac s PRO 113 Cb -0.12 -3.43 0.18 0.00 0.04 0.00 0.00 34.50 31.17 1sac s PRO 113 CO -0.00 0.01 1.16 -0.51 0.04 0.00 0.00 177.00 177.69 1sac s LEU 114 N 0.75 1.86 0.18 -3.56 1.43 0.11 -4.97 118.68 114.49 1sac s LEU 114 Ca 0.51 0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 54.10 1sac s LEU 114 Cb -0.22 -2.97 -0.11 0.00 0.03 0.00 0.00 46.19 42.92 1sac s LEU 114 CO 0.29 -2.89 1.63 -0.69 0.23 0.00 0.00 176.35 174.92 1sac s VAL 115 N -3.31 2.37 0.28 -1.59 1.01 -1.26 -4.75 120.40 113.15 1sac s VAL 115 Ca 0.67 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1sac s VAL 115 Cb -0.12 -3.17 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 1sac s VAL 115 CO 0.54 0.02 1.52 -0.54 0.00 0.00 0.00 175.10 176.64 1sac s LYS 116 N 1.13 4.19 0.46 2.72 1.02 -1.26 -4.79 119.74 123.20 1sac s LYS 116 Ca 0.72 2.46 0.05 0.00 0.02 0.00 0.00 55.97 59.21 1sac s LYS 116 Cb -0.46 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1sac s LYS 116 CO 0.32 -0.53 0.04 0.15 -0.92 0.00 0.00 175.35 174.41 1sac s LYS 117 N -0.60 2.09 -0.03 1.68 -0.14 -1.15 -5.01 119.74 116.57 1sac s LYS 117 Ca 0.60 -2.20 -0.03 0.00 -1.36 0.00 0.00 55.97 52.99 1sac s LYS 117 Cb -0.45 -1.64 0.01 0.00 -1.68 0.00 0.00 37.83 34.07 1sac s LYS 117 CO 0.47 -0.20 0.09 0.20 -0.76 0.00 0.00 175.35 175.15 1sac s GLY 118 N -3.81 -0.04 -0.01 -3.33 0.00 -1.26 -1.10 107.32 97.76 1sac s GLY 118 Ca 0.24 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.97 1sac s GLY 118 CO 0.12 0.36 0.68 0.48 0.00 0.00 0.00 173.10 174.75 1sac s LEU 119 N 0.31 -0.62 -1.51 0.66 2.34 0.12 -4.97 118.68 115.00 1sac s LEU 119 Ca -0.02 0.53 -0.10 0.00 0.06 0.00 0.00 54.13 54.61 1sac s LEU 119 Cb -0.03 2.52 0.07 0.00 -0.56 0.00 0.00 46.19 48.19 1sac s LEU 119 CO -0.01 -0.68 0.75 0.54 -1.06 0.00 0.00 176.35 175.89 1sac n ARG 120 N 0.59 -4.28 -1.58 1.48 1.74 -1.26 -4.54 116.66 108.81 1sac n ARG 120 Ca -0.18 0.50 -0.48 0.00 -0.77 0.00 0.00 57.85 56.91 1sac n ARG 120 Cb 0.59 -5.11 -0.05 0.00 -1.02 0.00 0.00 32.46 26.87 1sac n ARG 120 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1sac n GLN 121 N -4.47 1.71 0.00 5.56 7.27 -1.26 -1.99 117.38 124.20 1sac n GLN 121 Ca -0.09 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.53 1sac n GLN 121 Cb 0.58 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.53 1sac n GLN 121 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sac n GLY 122 N 5.47 0.73 3.89 1.69 0.00 0.10 -4.95 105.19 112.12 1sac n GLY 122 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 1sac n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sac s TYR 123 N -2.00 3.56 -0.12 1.61 5.04 -0.84 -5.02 117.35 119.57 1sac s TYR 123 Ca 0.00 0.95 -0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1sac s TYR 123 Cb 0.00 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.93 1sac s TYR 123 CO 0.00 -0.33 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.73 1sac s PHE 124 N -2.76 1.68 -0.31 4.97 0.40 -1.26 -4.73 117.98 115.97 1sac s PHE 124 Ca 0.50 -0.88 -0.29 0.00 -0.60 0.00 0.00 56.93 55.66 1sac s PHE 124 Cb -0.10 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1sac s PHE 124 CO 0.44 -0.56 1.32 0.14 0.70 0.00 0.00 175.22 177.26 1sac s VAL 125 N 1.65 4.11 0.62 -0.44 -7.23 -1.00 -4.83 120.40 113.27 1sac s VAL 125 Ca 0.05 1.23 -0.18 0.00 -1.81 0.00 0.00 61.98 61.28 1sac s VAL 125 Cb -0.13 -4.16 -0.05 0.00 0.56 0.00 0.00 36.38 32.60 1sac s VAL 125 CO -0.09 -0.52 0.81 -0.62 -0.31 0.00 0.00 175.10 174.38 1sac n GLU 126 N 7.42 0.70 -2.38 4.82 -0.58 -1.26 -0.75 120.64 128.61 1sac n GLU 126 Ca 0.15 0.28 -0.25 0.00 -0.42 0.00 0.00 57.16 56.92 1sac n GLU 126 Cb 0.47 -2.03 0.14 0.00 -0.57 0.00 0.00 31.44 29.45 1sac n GLU 126 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sac n ALA 127 N -1.88 -0.28 -3.36 0.62 0.00 -1.26 -4.67 120.51 109.68 1sac n ALA 127 Ca 0.13 -1.89 -0.18 0.00 0.00 0.00 0.00 53.44 51.50 1sac n ALA 127 Cb 0.48 0.21 0.07 0.00 0.00 0.00 0.00 19.45 20.21 1sac n ALA 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sac n GLN 128 N -3.11 -2.56 -2.00 0.00 6.02 0.27 -4.76 117.38 111.24 1sac n GLN 128 Ca 0.16 0.79 -0.30 0.00 -0.01 0.00 0.00 57.00 57.64 1sac n GLN 128 Cb 0.59 -5.52 0.01 0.00 1.02 0.00 0.00 30.24 26.33 1sac n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1sac s PRO 129 N -4.81 3.50 -0.32 -1.09 0.04 -1.26 -4.62 135.00 126.43 1sac s PRO 129 Ca 0.40 0.62 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1sac s PRO 129 Cb -0.07 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1sac s PRO 129 CO 0.76 -0.57 0.13 0.21 0.04 0.00 0.00 177.00 177.57 1sac s LYS 130 N -5.13 3.01 -0.18 4.56 2.47 -0.35 -4.91 119.74 119.20 1sac s LYS 130 Ca 0.54 -0.93 -0.03 0.00 -1.56 0.00 0.00 55.97 53.99 1sac s LYS 130 Cb -0.11 -3.51 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1sac s LYS 130 CO 0.52 -0.53 -0.05 0.42 0.16 0.00 0.00 175.35 175.87 1sac s ILE 131 N 1.52 3.51 0.06 5.43 1.01 -1.26 -2.16 121.20 129.31 1sac s ILE 131 Ca 0.02 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.26 1sac s ILE 131 Cb -0.18 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1sac s ILE 131 CO 0.04 0.46 -0.16 0.68 0.00 0.00 0.00 174.94 175.96 1sac s VAL 132 N 0.93 1.29 -0.09 2.92 -7.23 0.11 -1.10 120.40 117.23 1sac s VAL 132 Ca -0.00 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 1sac s VAL 132 Cb -0.15 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1sac s VAL 132 CO 0.01 -0.03 -0.12 -0.76 -0.31 0.00 0.00 175.10 173.89 1sac s LEU 133 N -1.40 2.82 0.00 1.32 1.02 -0.58 -1.58 118.68 120.28 1sac s LEU 133 Ca 0.02 -0.22 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1sac s LEU 133 Cb -0.09 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.52 1sac s LEU 133 CO 0.02 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.27 1sac n GLY 134 N 2.80 3.27 3.17 -3.19 0.00 -1.26 -1.62 105.19 108.35 1sac n GLY 134 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 1sac n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sac s GLN 135 N -0.56 0.88 -0.26 1.61 -1.52 -1.26 -2.10 119.66 116.46 1sac s GLN 135 Ca 0.00 -1.39 -0.08 0.00 -1.95 0.00 0.00 55.36 51.94 1sac s GLN 135 Cb 0.00 -0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.73 1sac s GLN 135 CO 0.00 -0.12 0.09 -2.00 -0.25 0.00 0.00 175.29 173.01 1sac s GLU 136 N -3.92 3.68 0.46 2.91 -6.30 -1.26 -4.61 118.70 109.65 1sac s GLU 136 Ca 0.17 -0.47 -0.22 0.00 -2.50 0.00 0.00 54.97 51.95 1sac s GLU 136 Cb 0.07 -3.39 -0.08 0.00 0.00 0.00 0.00 34.13 30.72 1sac s GLU 136 CO -0.02 -0.20 1.08 -0.65 0.02 0.00 0.00 175.26 175.48 1sac s GLN 137 N 1.64 3.87 0.00 4.30 -0.21 -1.26 -4.05 119.66 123.94 1sac s GLN 137 Ca 0.06 1.52 0.00 0.00 0.02 0.00 0.00 55.36 56.96 1sac s GLN 137 Cb -0.15 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.56 1sac s GLN 137 CO 0.05 -0.40 0.37 -0.25 -2.12 0.00 0.00 175.29 172.94 1sac n ASP 138 N -0.60 0.74 -4.01 5.90 8.00 0.16 -4.74 116.55 121.99 1sac n ASP 138 Ca 0.08 -0.87 -0.26 0.00 0.71 0.00 0.00 54.79 54.45 1sac n ASP 138 Cb 0.50 0.28 -0.08 0.00 -0.02 0.00 0.00 41.12 41.81 1sac n ASP 138 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1sac s SER 139 N -0.30 2.86 -1.27 -2.24 1.04 -0.78 -4.83 113.70 108.18 1sac s SER 139 Ca 0.00 -1.73 -0.19 0.00 0.48 0.00 0.00 55.95 54.51 1sac s SER 139 Cb 0.00 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1sac s SER 139 CO 0.00 -0.99 1.75 -0.47 0.98 0.00 0.00 173.24 174.51 1sac s TYR 140 N -3.18 2.66 0.00 5.02 5.04 -1.26 -3.31 117.35 122.31 1sac s TYR 140 Ca 0.23 -1.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.54 1sac s TYR 140 Cb 0.01 -4.66 0.00 0.00 0.35 0.00 0.00 41.96 37.67 1sac s TYR 140 CO 0.15 -1.74 0.00 0.41 -1.34 0.00 0.00 175.55 173.03 1sac n GLY 141 N 5.54 0.82 0.00 8.97 0.00 -1.26 -5.04 105.19 114.22 1sac n GLY 141 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1sac n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sac n GLY 142 N -0.85 3.84 3.37 -0.02 0.00 -1.21 -5.00 105.19 105.31 1sac n GLY 142 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 1sac n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sac n LYS 143 N 0.00 -3.60 -1.72 1.61 5.02 -1.26 0.38 118.16 118.59 1sac n LYS 143 Ca 0.00 0.81 -0.30 0.00 -2.02 0.00 0.00 58.31 56.81 1sac n LYS 143 Cb 0.00 -5.67 0.08 0.00 -0.02 0.00 0.00 35.03 29.42 1sac n LYS 143 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sac s PHE 144 N -3.41 3.00 -0.08 2.13 0.08 -1.26 -2.31 117.98 116.13 1sac s PHE 144 Ca 0.30 1.03 -0.03 0.00 0.12 0.00 0.00 56.93 58.35 1sac s PHE 144 Cb -0.05 -3.18 0.04 0.00 -0.57 0.00 0.00 43.02 39.27 1sac s PHE 144 CO 0.75 -1.61 0.08 0.34 -0.10 0.00 0.00 175.22 174.68 1sac s ASP 145 N -4.18 1.48 0.44 1.36 -1.08 -1.26 -4.97 116.67 108.46 1sac s ASP 145 Ca 0.60 -0.12 0.17 0.00 -0.52 0.00 0.00 52.55 52.68 1sac s ASP 145 Cb -0.13 -0.13 1.09 0.00 -1.46 0.00 0.00 42.92 42.29 1sac s ASP 145 CO 0.53 -0.28 1.93 -0.09 0.52 0.00 0.00 175.17 177.77 1sac h ARG 146 N 8.43 0.36 -0.00 4.34 2.43 -1.92 -0.05 114.38 127.97 1sac h ARG 146 Ca -0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1sac h ARG 146 Cb 1.13 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1sac h ARG 146 CO 0.19 0.24 -0.03 -1.13 -1.51 0.00 0.00 179.97 177.73 1sac n SER 147 N -4.47 0.16 -0.09 -3.80 3.41 -1.26 -2.56 113.62 105.02 1sac n SER 147 Ca 0.14 -0.49 0.01 0.00 -0.26 0.00 0.00 58.87 58.27 1sac n SER 147 Cb 0.54 -0.16 0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1sac n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sac n GLN 148 N -1.09 2.64 -2.12 4.33 6.02 -0.05 -4.72 117.38 122.39 1sac n GLN 148 Ca 0.17 -1.49 -0.38 0.00 -0.01 0.00 0.00 57.00 55.29 1sac n GLN 148 Cb 0.22 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1sac n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1sac s SER 149 N -0.92 5.95 -0.24 1.08 1.04 -1.06 -1.45 113.70 118.09 1sac s SER 149 Ca 0.03 2.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.76 1sac s SER 149 Cb 0.02 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1sac s SER 149 CO 0.02 -1.08 0.39 0.12 0.98 0.00 0.00 173.24 173.67 1sac s PHE 150 N -1.46 3.30 -0.18 5.02 5.36 -0.89 -4.71 117.98 124.41 1sac s PHE 150 Ca 0.65 0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1sac s PHE 150 Cb -0.32 -2.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1sac s PHE 150 CO 0.39 -0.14 -0.13 0.08 -1.46 0.00 0.00 175.22 173.96 1sac s VAL 151 N 1.79 2.77 -5.00 3.12 1.01 -1.26 -4.81 120.40 118.02 1sac s VAL 151 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1sac s VAL 151 Cb -0.15 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1sac s VAL 151 CO 0.09 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1sac n GLY 152 N 4.43 0.77 3.12 4.51 0.00 -0.88 -4.48 105.19 112.66 1sac n GLY 152 Ca -0.19 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1sac n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sac s GLU 153 N -2.00 1.81 0.00 1.61 2.02 -0.36 -0.69 118.70 121.09 1sac s GLU 153 Ca 0.00 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1sac s GLU 153 Cb 0.00 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 1sac s GLU 153 CO 0.00 0.20 -0.22 0.42 0.02 0.00 0.00 175.26 175.68 1sac s ILE 154 N 0.16 1.76 0.09 -1.63 1.01 -0.51 -1.56 121.20 120.52 1sac s ILE 154 Ca -0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 1sac s ILE 154 Cb -0.12 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.88 1sac s ILE 154 CO 0.03 0.42 0.18 0.61 0.00 0.00 0.00 174.94 176.18 1sac n GLY 155 N 2.32 1.72 4.16 6.18 0.00 -0.97 -0.26 105.19 118.34 1sac n GLY 155 Ca -0.16 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 1sac n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sac n ASP 156 N -1.10 -1.70 -4.59 1.61 8.00 -1.26 -0.97 116.55 116.54 1sac n ASP 156 Ca -0.02 -1.26 -0.39 0.00 0.71 0.00 0.00 54.79 53.83 1sac n ASP 156 Cb 0.14 -1.81 -0.09 0.00 -0.02 0.00 0.00 41.12 39.33 1sac n ASP 156 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sac s LEU 157 N -7.36 4.10 0.00 0.64 1.98 -1.26 -4.06 118.68 112.72 1sac s LEU 157 Ca 0.24 0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.69 1sac s LEU 157 Cb -0.13 -2.42 -0.00 0.00 0.66 0.00 0.00 46.19 44.30 1sac s LEU 157 CO 0.97 -0.22 -0.01 -0.31 -1.89 0.00 0.00 176.35 174.89 1sac s TYR 158 N 2.08 0.12 -0.05 5.38 2.02 -0.21 -1.55 117.35 125.15 1sac s TYR 158 Ca 0.15 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1sac s TYR 158 Cb -0.16 -0.08 0.03 0.00 -0.40 0.00 0.00 41.96 41.35 1sac s TYR 158 CO 0.10 -0.03 -0.01 1.41 -1.57 0.00 0.00 175.55 175.46 1sac s MET 159 N -0.24 0.51 0.12 -0.62 1.75 0.43 -1.49 119.30 119.76 1sac s MET 159 Ca -0.02 0.05 0.06 0.00 -1.25 0.00 0.00 55.69 54.54 1sac s MET 159 Cb -0.02 -0.72 -0.04 0.00 2.84 0.00 0.00 34.83 36.89 1sac s MET 159 CO -0.00 -0.18 -0.04 -1.58 -0.65 0.00 0.00 175.02 172.57 1sac s TRP 160 N 1.32 2.85 -0.36 4.11 0.51 -0.35 -1.59 118.94 125.44 1sac s TRP 160 Ca -0.05 -0.11 0.04 0.00 -2.12 0.00 0.00 56.10 53.86 1sac s TRP 160 Cb -0.13 -1.45 0.53 0.00 -0.81 0.00 0.00 33.47 31.61 1sac s TRP 160 CO -0.02 0.47 1.70 -0.40 -0.51 0.00 0.00 176.95 178.19 1sac n ASP 161 N 0.41 3.67 -4.12 2.95 5.75 -1.26 -2.42 116.55 121.53 1sac n ASP 161 Ca -0.11 -3.22 -0.12 0.00 -0.01 0.00 0.00 54.79 51.32 1sac n ASP 161 Cb 0.53 -0.76 -0.09 0.00 -1.03 0.00 0.00 41.12 39.77 1sac n ASP 161 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1sac s SER 162 N -0.79 0.25 -0.28 -1.12 1.04 -1.25 -4.53 113.70 107.03 1sac s SER 162 Ca 0.45 -1.39 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 1sac s SER 162 Cb 0.37 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.89 1sac s SER 162 CO 0.09 -0.88 0.71 -0.69 0.98 0.00 0.00 173.24 173.45 1sac s VAL 163 N -4.09 4.89 0.17 5.02 1.01 -1.26 -1.02 120.40 125.12 1sac s VAL 163 Ca 0.38 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.21 1sac s VAL 163 Cb 0.06 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1sac s VAL 163 CO 0.13 -0.11 1.08 -0.76 0.00 0.00 0.00 175.10 175.44 1sac s LEU 164 N 2.72 4.49 0.74 3.92 1.02 -1.26 -5.00 118.68 125.31 1sac s LEU 164 Ca 0.29 2.05 -0.11 0.00 0.02 0.00 0.00 54.13 56.38 1sac s LEU 164 Cb -0.15 -3.60 0.04 0.00 0.02 0.00 0.00 46.19 42.50 1sac s LEU 164 CO 0.10 -0.20 1.08 -2.16 0.02 0.00 0.00 176.35 175.19 1sac s PRO 165 N -0.32 2.53 0.28 1.29 0.04 -1.26 -4.78 135.00 132.78 1sac s PRO 165 Ca 0.49 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 1sac s PRO 165 Cb -0.29 -1.95 0.66 0.00 0.04 0.00 0.00 34.50 32.96 1sac s PRO 165 CO 0.34 -1.35 1.63 -1.35 0.04 0.00 0.00 177.00 176.30 1sac h PRO 166 N -0.90 0.13 -0.07 0.56 0.11 -1.99 0.06 132.00 129.90 1sac h PRO 166 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1sac h PRO 166 Cb 1.24 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1sac h PRO 166 CO 0.58 0.09 -0.01 1.05 -0.21 0.00 0.00 178.00 179.49 1sac h GLU 167 N 0.14 0.10 0.00 1.05 9.09 -2.00 -0.07 114.58 122.89 1sac h GLU 167 Ca 0.53 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.90 1sac h GLU 167 Cb 1.05 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.13 1sac h GLU 167 CO -0.71 0.13 -0.56 -0.91 0.05 0.00 0.00 179.01 177.00 1sac h ASN 168 N 0.10 0.00 -0.24 3.06 2.35 -1.35 -2.37 115.58 117.14 1sac h ASN 168 Ca 0.03 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.58 1sac h ASN 168 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1sac h ASN 168 CO 0.00 0.11 -0.63 0.40 -1.65 0.00 0.00 177.43 175.67 1sac h ILE 169 N 0.00 1.28 -0.31 2.81 1.08 -0.63 -2.35 117.51 119.38 1sac h ILE 169 Ca -0.02 -1.81 -0.17 0.00 -0.39 0.00 0.00 64.86 62.47 1sac h ILE 169 Cb 1.10 1.77 -0.00 0.00 -3.07 0.00 0.00 36.82 36.62 1sac h ILE 169 CO 0.01 0.58 -0.47 -0.07 -0.69 0.00 0.00 178.15 177.51 1sac h LEU 170 N 0.60 0.91 -0.27 1.44 3.38 -1.05 -2.09 115.31 118.23 1sac h LEU 170 Ca -0.01 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1sac h LEU 170 Cb 1.24 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1sac h LEU 170 CO 0.14 1.23 -0.01 0.28 0.09 0.00 0.00 178.44 180.16 1sac h SER 171 N 0.66 -0.14 -0.46 -0.43 0.02 -1.37 0.33 113.55 112.17 1sac h SER 171 Ca 0.03 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1sac h SER 171 Cb 1.06 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1sac h SER 171 CO 0.11 -0.04 0.29 0.00 -1.14 0.00 0.00 176.83 176.05 1sac h ALA 172 N 1.24 0.58 -0.35 3.77 0.00 -1.36 0.13 119.26 123.26 1sac h ALA 172 Ca 0.13 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1sac h ALA 172 Cb 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1sac h ALA 172 CO -0.23 0.01 0.04 -0.92 0.00 0.00 0.00 179.25 178.14 1sac h TYR 173 N 0.60 0.05 -0.33 0.00 3.20 -0.92 -2.21 116.97 117.36 1sac h TYR 173 Ca 0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1sac h TYR 173 Cb -0.05 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1sac h TYR 173 CO -0.05 -0.02 0.00 1.04 -1.64 0.00 0.00 178.16 177.49 1sac n GLN 174 N -5.13 2.68 0.00 1.82 6.02 0.11 -4.89 117.38 117.99 1sac n GLN 174 Ca 0.01 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 1sac n GLN 174 Cb 0.17 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.72 1sac n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sac n GLY 175 N 0.59 0.67 2.41 1.08 0.00 -0.60 -4.96 105.19 104.39 1sac n GLY 175 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1sac n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sac n THR 176 N -1.30 0.14 -2.27 2.61 -2.24 0.35 -5.00 114.28 106.56 1sac n THR 176 Ca 0.00 -4.22 -0.30 0.00 -2.27 0.00 0.00 64.05 57.26 1sac n THR 176 Cb 0.00 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.30 1sac n THR 176 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1sac s PRO 177 N -1.12 3.61 0.30 -0.78 0.04 -1.24 -4.16 135.00 131.65 1sac s PRO 177 Ca 0.34 0.53 -0.29 0.00 0.04 0.00 0.00 61.00 61.61 1sac s PRO 177 Cb 0.09 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1sac s PRO 177 CO -0.13 -0.37 1.27 -0.51 0.04 0.00 0.00 177.00 177.30 1sac s LEU 178 N -4.85 4.45 0.17 -3.56 1.02 -1.26 -4.96 118.68 109.69 1sac s LEU 178 Ca 0.52 2.57 -0.32 0.00 0.02 0.00 0.00 54.13 56.92 1sac s LEU 178 Cb -0.11 -3.64 -0.11 0.00 0.02 0.00 0.00 46.19 42.36 1sac s LEU 178 CO 0.48 -0.46 1.72 -2.16 0.02 0.00 0.00 176.35 175.95 1sac s PRO 179 N -1.47 4.15 0.27 1.29 0.04 -1.26 -4.96 135.00 133.05 1sac s PRO 179 Ca 0.49 2.55 -0.06 0.00 0.04 0.00 0.00 61.00 64.02 1sac s PRO 179 Cb -0.38 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.85 1sac s PRO 179 CO 0.48 -0.75 0.55 0.00 0.04 0.00 0.00 177.00 177.32 1sac s ALA 180 N 1.67 3.61 -0.11 8.56 0.00 -1.26 -5.04 121.76 129.19 1sac s ALA 180 Ca 0.76 -0.47 0.16 0.00 0.00 0.00 0.00 51.96 52.40 1sac s ALA 180 Cb -0.47 -2.34 -0.23 0.00 0.00 0.00 0.00 23.12 20.08 1sac s ALA 180 CO 0.33 0.33 0.18 0.27 0.00 0.00 0.00 175.76 176.87 1sac n ASN 181 N -0.68 0.88 -0.09 0.00 0.23 -1.20 -4.57 115.26 109.81 1sac n ASN 181 Ca -0.01 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.86 1sac n ASN 181 Cb 0.53 1.25 -0.11 0.00 -2.08 0.00 0.00 39.78 39.38 1sac n ASN 181 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1sac h ILE 182 N 0.00 1.03 -3.42 1.53 2.04 -1.64 -3.47 117.51 113.58 1sac h ILE 182 Ca -0.29 -2.11 -0.38 0.00 1.00 0.00 0.00 64.86 63.08 1sac h ILE 182 Cb 1.58 2.29 -0.35 0.00 -0.74 0.00 0.00 36.82 39.60 1sac h ILE 182 CO 0.02 0.35 -0.76 -0.76 0.00 0.00 0.00 178.15 177.00 1sac s LEU 183 N -7.99 1.00 -0.06 1.44 1.02 -0.84 -4.75 118.68 108.50 1sac s LEU 183 Ca -0.25 -0.06 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 1sac s LEU 183 Cb 0.03 -0.33 0.03 0.00 0.02 0.00 0.00 46.19 45.94 1sac s LEU 183 CO 0.58 -0.12 -0.00 -0.62 0.02 0.00 0.00 176.35 176.20 1sac s ASP 184 N 1.30 1.35 0.63 2.29 -1.08 -1.26 -0.43 116.67 119.47 1sac s ASP 184 Ca -0.06 -0.07 0.39 0.00 -0.52 0.00 0.00 52.55 52.29 1sac s ASP 184 Cb -0.13 -0.40 2.16 0.00 -1.46 0.00 0.00 42.92 43.09 1sac s ASP 184 CO -0.02 -0.17 2.31 -0.25 0.52 0.00 0.00 175.17 177.56 1sac h TRP 185 N 8.07 0.00 -0.02 -5.34 2.91 -1.66 -0.89 115.95 119.02 1sac h TRP 185 Ca -0.24 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.78 1sac h TRP 185 Cb 1.13 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.78 1sac h TRP 185 CO 0.48 0.01 -0.27 1.04 -1.03 0.00 0.00 178.44 178.67 1sac n GLN 186 N -3.37 1.61 -3.10 2.65 6.02 -1.26 -1.44 117.38 118.48 1sac n GLN 186 Ca -0.03 -1.30 -0.19 0.00 -0.01 0.00 0.00 57.00 55.47 1sac n GLN 186 Cb 0.09 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1sac n GLN 186 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sac n ALA 187 N 0.44 1.61 -2.79 -1.58 0.00 -0.36 -3.85 120.51 113.98 1sac n ALA 187 Ca 0.12 -3.02 -0.36 0.00 0.00 0.00 0.00 53.44 50.17 1sac n ALA 187 Cb 0.50 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1sac n ALA 187 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sac s LEU 188 N -1.58 4.03 -0.23 0.00 2.96 -0.16 -4.49 118.68 119.21 1sac s LEU 188 Ca 0.35 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1sac s LEU 188 Cb 0.24 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.98 1sac s LEU 188 CO -0.11 0.40 -0.06 0.20 -1.32 0.00 0.00 176.35 175.45 1sac s ASN 189 N -0.97 4.21 0.01 3.68 0.01 -1.26 -1.28 114.94 119.34 1sac s ASN 189 Ca 0.14 -0.62 -0.05 0.00 -0.71 0.00 0.00 52.86 51.63 1sac s ASN 189 Cb -0.12 -1.69 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 1sac s ASN 189 CO 0.03 -0.07 0.07 -0.72 -1.51 0.00 0.00 177.10 174.91 1sac s TYR 190 N 1.40 0.14 -0.16 2.20 -0.85 -1.26 -0.64 117.35 118.18 1sac s TYR 190 Ca 0.03 -0.31 -0.01 0.00 -0.52 0.00 0.00 57.07 56.26 1sac s TYR 190 Cb -0.15 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.07 1sac s TYR 190 CO -0.05 -0.26 -0.12 -1.21 -1.52 0.00 0.00 175.55 172.39 1sac s GLU 191 N -1.54 3.30 -0.09 -3.49 2.02 -0.56 -4.97 118.70 113.37 1sac s GLU 191 Ca -0.14 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 1sac s GLU 191 Cb -0.08 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1sac s GLU 191 CO 0.00 0.03 0.93 0.42 0.02 0.00 0.00 175.26 176.67 1sac s ILE 192 N 0.81 4.85 -0.17 -1.63 1.01 -1.26 -0.70 121.20 124.11 1sac s ILE 192 Ca -0.04 1.91 0.01 0.00 0.00 0.00 0.00 60.65 62.52 1sac s ILE 192 Cb -0.15 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.09 1sac s ILE 192 CO 0.01 0.08 -0.17 -0.13 0.00 0.00 0.00 174.94 174.72 1sac s ARG 193 N 1.64 2.63 1.07 2.79 1.81 -0.10 -5.01 118.95 123.78 1sac s ARG 193 Ca 0.46 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 1sac s ARG 193 Cb -0.19 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 31.95 1sac s ARG 193 CO 0.20 -0.24 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 1sac n GLY 194 N 4.69 -1.62 3.54 -3.53 0.00 -1.26 -1.40 105.19 105.60 1sac n GLY 194 Ca -0.19 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1sac n GLY 194 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sac s TYR 195 N 0.00 2.61 -0.06 1.61 5.04 -1.26 -4.91 117.35 120.39 1sac s TYR 195 Ca 0.00 -0.91 -0.04 0.00 -2.44 0.00 0.00 57.07 53.69 1sac s TYR 195 Cb 0.00 -4.63 0.02 0.00 0.35 0.00 0.00 41.96 37.70 1sac s TYR 195 CO 0.00 -1.87 0.14 0.54 -1.34 0.00 0.00 175.55 173.01 1sac s VAL 196 N 4.65 -0.02 0.02 3.14 0.11 -1.26 -4.21 120.40 122.83 1sac s VAL 196 Ca 0.44 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.64 1sac s VAL 196 Cb -0.01 -0.21 -0.03 0.00 -1.53 0.00 0.00 36.38 34.60 1sac s VAL 196 CO -0.09 0.03 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.87 1sac s ILE 197 N 0.57 2.56 -0.21 7.04 -1.09 -0.88 -4.95 121.20 124.23 1sac s ILE 197 Ca -0.04 -1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 57.10 1sac s ILE 197 Cb -0.06 -2.03 -0.05 0.00 -1.58 0.00 0.00 42.46 38.75 1sac s ILE 197 CO -0.03 0.41 0.14 -0.63 -1.23 0.00 0.00 174.94 173.60 1sac s ILE 198 N -0.83 5.36 0.05 2.92 1.01 -1.26 0.65 121.20 129.09 1sac s ILE 198 Ca 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1sac s ILE 198 Cb -0.10 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1sac s ILE 198 CO 0.03 0.41 -0.03 -0.54 0.00 0.00 0.00 174.94 174.81 1sac s LYS 199 N 0.58 0.57 0.51 2.79 -0.14 -0.86 -4.97 119.74 118.21 1sac s LYS 199 Ca 0.08 -1.13 -0.23 0.00 -1.36 0.00 0.00 55.97 53.33 1sac s LYS 199 Cb -0.12 0.20 -0.06 0.00 -1.68 0.00 0.00 37.83 36.17 1sac s LYS 199 CO 0.00 -0.10 1.32 -2.14 -0.76 0.00 0.00 175.35 173.67 1sac s PRO 200 N -3.57 3.38 -0.84 -1.68 0.02 -1.26 -1.00 135.00 130.06 1sac s PRO 200 Ca 0.04 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 62.96 1sac s PRO 200 Cb 0.05 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.27 1sac s PRO 200 CO -0.09 -0.97 1.25 -1.17 -0.33 0.00 0.00 177.00 175.70 1sac s LEU 201 N -3.27 3.79 0.00 -5.54 2.96 0.44 -4.72 118.68 112.34 1sac s LEU 201 Ca 0.68 -1.12 0.21 0.00 -0.22 0.00 0.00 54.13 53.68 1sac s LEU 201 Cb -0.38 -2.51 0.28 0.00 0.50 0.00 0.00 46.19 44.08 1sac s LEU 201 CO 0.46 -1.54 1.26 1.33 -1.32 0.00 0.00 176.35 176.54 1sac n VAL 202 N 6.33 0.26 -0.53 1.68 0.24 -1.26 -4.50 118.33 120.54 1sac n VAL 202 Ca 0.15 -0.63 0.07 0.00 -2.04 0.00 0.00 64.34 61.88 1sac n VAL 202 Cb 0.49 1.20 0.20 0.00 -1.47 0.00 0.00 33.84 34.26 1sac n VAL 202 CO 0.00 0.00 0.00 -2.67 -2.14 0.00 0.00 176.83 172.02 1sac n TRP 203 N 1.27 0.68 -0.04 6.34 4.27 -1.26 -5.28 117.44 123.41 1sac n TRP 203 Ca 0.15 -0.67 0.00 0.00 -3.89 0.00 0.00 57.50 53.10 1sac n TRP 203 Cb 0.55 -0.15 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 1sac n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68