#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 4.24 -0.59 3.57 2.01 -0.68 -4.79 115.64 119.40 1sac s THR 2 Ca 0.00 -0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.55 1sac s THR 2 Cb 0.00 -2.95 0.04 0.00 0.01 0.00 0.00 72.50 69.61 1sac s THR 2 CO 0.00 0.39 1.00 -0.62 -0.69 0.00 0.00 174.62 174.70 1sac s ASP 3 N 1.18 6.30 -0.14 3.53 2.15 -1.24 -1.63 116.67 126.82 1sac s ASP 3 Ca 0.04 -0.44 0.11 0.00 0.43 0.00 0.00 52.55 52.69 1sac s ASP 3 Cb -0.14 -2.45 0.56 0.00 -0.30 0.00 0.00 42.92 40.58 1sac s ASP 3 CO 0.03 -1.34 1.39 0.18 -0.17 0.00 0.00 175.17 175.25 1sac n LEU 4 N 7.76 4.08 -4.76 -1.34 4.32 -0.31 -4.98 117.00 121.76 1sac n LEU 4 Ca 0.01 -2.07 -0.39 0.00 -0.02 0.00 0.00 56.01 53.55 1sac n LEU 4 Cb 0.47 -0.58 0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1sac n LEU 4 CO 0.65 0.55 0.97 -0.94 -1.22 0.00 0.00 177.39 177.40 1sac s SER 5 N -0.63 5.75 0.00 -1.43 1.04 -1.26 -1.67 113.70 115.50 1sac s SER 5 Ca 0.38 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.50 1sac s SER 5 Cb 0.27 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1sac s SER 5 CO 0.14 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1sac n GLY 6 N 0.63 0.42 3.27 7.32 0.00 -1.26 -5.00 105.19 110.57 1sac n GLY 6 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 1.10 0.17 1.61 1.02 -0.67 -0.01 119.74 122.41 1sac s LYS 7 Ca 0.00 -1.22 0.06 0.00 0.02 0.00 0.00 55.97 54.83 1sac s LYS 7 Cb 0.00 -1.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 1sac s LYS 7 CO 0.00 0.26 -0.13 0.14 -0.92 0.00 0.00 175.35 174.70 1sac s VAL 8 N -1.62 1.47 -0.06 3.17 -7.23 0.30 -4.49 120.40 111.94 1sac s VAL 8 Ca 0.08 -2.11 -0.25 0.00 -1.81 0.00 0.00 61.98 57.89 1sac s VAL 8 Cb -0.08 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.91 1sac s VAL 8 CO 0.04 -0.64 0.79 -0.36 -0.31 0.00 0.00 175.10 174.61 1sac s PHE 9 N -3.05 3.59 -0.14 2.82 0.08 -0.68 -1.99 117.98 118.60 1sac s PHE 9 Ca 0.19 1.37 0.01 0.00 0.12 0.00 0.00 56.93 58.62 1sac s PHE 9 Cb 0.00 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.54 1sac s PHE 9 CO 0.04 0.04 -0.16 0.54 -0.10 0.00 0.00 175.22 175.57 1sac s VAL 10 N 0.96 2.63 -0.54 -0.44 0.11 0.64 -1.81 120.40 121.96 1sac s VAL 10 Ca 0.41 -0.79 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 1sac s VAL 10 Cb -0.19 -2.10 0.11 0.00 -1.53 0.00 0.00 36.38 32.68 1sac s VAL 10 CO 0.20 0.52 0.53 -0.36 -3.33 0.00 0.00 175.10 172.67 1sac s PHE 11 N 0.66 3.19 -0.90 1.54 0.40 0.18 -1.56 117.98 121.49 1sac s PHE 11 Ca -0.08 -1.11 0.25 0.00 -0.60 0.00 0.00 56.93 55.39 1sac s PHE 11 Cb -0.16 -3.71 0.48 0.00 0.51 0.00 0.00 43.02 40.14 1sac s PHE 11 CO 0.02 -1.03 1.40 -2.30 0.70 0.00 0.00 175.22 174.00 1sac n PRO 12 N 5.52 0.08 -4.07 0.24 -0.02 -1.26 -2.04 135.00 133.44 1sac n PRO 12 Ca -0.12 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.27 1sac n PRO 12 Cb 0.42 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 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 -3.05 1.23 0.16 -0.52 1.70 -1.26 -4.98 118.95 112.23 1sac s ARG 13 Ca 0.10 -1.38 -0.20 0.00 -0.47 0.00 0.00 55.73 53.78 1sac s ARG 13 Cb 0.16 0.35 -0.08 0.00 -0.57 0.00 0.00 34.95 34.81 1sac s ARG 13 CO 0.70 -0.44 0.67 -2.00 -1.08 0.00 0.00 175.30 173.15 1sac s GLU 14 N -4.05 4.26 -0.06 3.89 2.12 -1.26 -4.71 118.70 118.89 1sac s GLU 14 Ca 0.26 0.84 -0.31 0.00 0.36 0.00 0.00 54.97 56.12 1sac s GLU 14 Cb 0.04 -3.05 0.12 0.00 0.26 0.00 0.00 34.13 31.50 1sac s GLU 14 CO 0.06 0.50 1.36 -1.54 -0.54 0.00 0.00 175.26 175.10 1sac s SER 15 N -1.43 -0.01 -0.20 -1.70 1.04 -1.26 -5.01 113.70 105.13 1sac s SER 15 Ca 0.37 -0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.85 1sac s SER 15 Cb -0.18 0.08 0.41 0.00 0.10 0.00 0.00 66.02 66.42 1sac s SER 15 CO 0.21 -0.15 1.26 0.55 0.98 0.00 0.00 173.24 176.09 1sac n VAL 16 N -0.67 2.19 0.03 5.02 3.14 -1.26 -4.55 118.33 122.23 1sac n VAL 16 Ca -0.04 -2.77 0.00 0.00 -2.96 0.00 0.00 64.34 58.57 1sac n VAL 16 Cb 0.61 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 -1.17 0.26 -1.75 1.55 -1.04 -1.26 -4.81 114.28 106.06 1sac n THR 17 Ca 0.21 0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.89 1sac n THR 17 Cb 0.75 -1.10 -0.02 0.00 -1.82 0.00 0.00 70.33 68.15 1sac n THR 17 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1sac n ASP 18 N -3.04 3.92 -3.64 8.00 8.00 -1.26 -4.67 116.55 123.85 1sac n ASP 18 Ca 0.00 1.14 -0.02 0.00 0.71 0.00 0.00 54.79 56.62 1sac n ASP 18 Cb 0.19 -1.60 -0.02 0.00 -0.02 0.00 0.00 41.12 39.67 1sac n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1sac s HIS 19 N 0.10 -0.02 -0.02 1.24 -3.43 -0.04 -4.41 115.29 108.72 1sac s HIS 19 Ca 0.65 0.01 0.06 0.00 -0.80 0.00 0.00 55.06 54.98 1sac s HIS 19 Cb -0.49 0.50 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1sac s HIS 19 CO 0.47 -0.02 -0.21 0.14 -2.00 0.00 0.00 174.74 173.12 1sac s VAL 20 N -1.95 1.63 -0.18 -5.38 -7.23 -0.65 -1.04 120.40 105.61 1sac s VAL 20 Ca 0.11 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.24 1sac s VAL 20 Cb -0.01 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 1sac s VAL 20 CO -0.03 0.46 0.42 0.20 -0.31 0.00 0.00 175.10 175.84 1sac s ASN 21 N -0.42 6.49 -0.20 4.85 0.01 -0.28 -0.85 114.94 124.54 1sac s ASN 21 Ca 0.06 0.58 -0.12 0.00 -0.71 0.00 0.00 52.86 52.68 1sac s ASN 21 Cb -0.09 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1sac s ASN 21 CO -0.00 -0.06 0.22 -0.76 -1.51 0.00 0.00 177.10 174.98 1sac s LEU 22 N 1.18 4.19 -0.12 0.60 1.02 0.24 -1.43 118.68 124.36 1sac s LEU 22 Ca 0.21 0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.69 1sac s LEU 22 Cb -0.15 -2.24 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1sac s LEU 22 CO 0.08 0.10 -0.15 -0.63 0.02 0.00 0.00 176.35 175.77 1sac s ILE 23 N 0.65 2.84 -0.10 -0.59 1.01 0.25 -4.26 121.20 121.01 1sac s ILE 23 Ca 0.12 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1sac s ILE 23 Cb -0.13 -2.17 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1sac s ILE 23 CO 0.02 0.53 0.23 0.28 0.00 0.00 0.00 174.94 176.01 1sac s THR 24 N 0.31 -0.03 -0.10 2.92 -1.32 -1.26 -4.45 115.64 111.70 1sac s THR 24 Ca -0.12 0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 1sac s THR 24 Cb -0.16 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.43 1sac s THR 24 CO 0.06 0.05 2.57 -0.81 -2.21 0.00 0.00 174.62 174.28 1sac n PRO 25 N 4.02 1.58 -1.72 7.08 -0.04 -1.26 -4.84 135.00 139.82 1sac n PRO 25 Ca -0.23 -0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 61.99 1sac n PRO 25 Cb 0.54 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.54 4.09 -0.00 1.53 2.96 -1.26 -4.85 118.68 120.61 1sac s LEU 26 Ca 0.31 2.32 0.06 0.00 -0.22 0.00 0.00 54.13 56.60 1sac s LEU 26 Cb 0.18 -3.52 -0.08 0.00 0.50 0.00 0.00 46.19 43.27 1sac s LEU 26 CO -0.02 -1.33 0.23 -0.62 -1.32 0.00 0.00 176.35 173.28 1sac n GLU 27 N 7.88 3.65 -5.13 1.98 1.02 -1.26 -0.82 120.64 127.96 1sac n GLU 27 Ca 0.22 -0.02 -0.32 0.00 -0.02 0.00 0.00 57.16 57.03 1sac n GLU 27 Cb 0.43 -0.89 -0.16 0.00 -0.02 0.00 0.00 31.44 30.79 1sac n GLU 27 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1sac s LYS 28 N -1.82 3.05 0.78 3.49 2.20 -1.26 -4.76 119.74 121.42 1sac s LYS 28 Ca 0.01 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.63 1sac s LYS 28 Cb 0.04 -2.35 0.03 0.00 -1.51 0.00 0.00 37.83 34.05 1sac s LYS 28 CO 0.25 0.22 0.96 -2.30 -0.36 0.00 0.00 175.35 174.12 1sac n PRO 29 N 3.43 0.28 -3.19 4.03 -0.02 -1.26 -4.62 135.00 133.65 1sac n PRO 29 Ca -0.19 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 1sac n PRO 29 Cb 0.53 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 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 -3.62 4.20 -0.23 2.45 1.43 0.10 -4.90 118.68 118.12 1sac s LEU 30 Ca 0.71 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1sac s LEU 30 Cb -0.31 -2.82 -0.19 0.00 0.03 0.00 0.00 46.19 42.89 1sac s LEU 30 CO 0.53 -0.16 -0.08 1.67 0.23 0.00 0.00 176.35 178.54 1sac n GLN 31 N 4.45 0.67 -4.29 1.70 7.27 -1.26 -1.91 117.38 124.02 1sac n GLN 31 Ca -0.04 0.16 -0.21 0.00 0.07 0.00 0.00 57.00 56.98 1sac n GLN 31 Cb 0.51 -1.56 -0.13 0.00 2.41 0.00 0.00 30.24 31.47 1sac n GLN 31 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1sac s ASN 32 N -6.51 2.04 0.10 1.69 0.01 -1.26 -1.63 114.94 109.37 1sac s ASN 32 Ca -0.30 -0.60 -0.22 0.00 -0.71 0.00 0.00 52.86 51.03 1sac s ASN 32 Cb 0.08 -0.10 0.06 0.00 0.41 0.00 0.00 41.25 41.70 1sac s ASN 32 CO 0.65 0.01 0.54 0.72 -1.51 0.00 0.00 177.10 177.51 1sac s PHE 33 N -1.12 -0.45 -0.04 2.20 -0.12 -0.96 -4.03 117.98 113.47 1sac s PHE 33 Ca 0.02 0.35 0.05 0.00 -0.05 0.00 0.00 56.93 57.30 1sac s PHE 33 Cb -0.09 0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1sac s PHE 33 CO 0.03 -0.73 -0.19 0.99 -0.05 0.00 0.00 175.22 175.27 1sac s THR 34 N -3.14 1.52 -0.11 -4.49 2.01 -0.86 -1.26 115.64 109.31 1sac s THR 34 Ca -0.02 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1sac s THR 34 Cb -0.00 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1sac s THR 34 CO -0.07 0.43 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.97 1sac s LEU 35 N -0.14 1.36 0.04 4.42 2.96 0.54 -1.37 118.68 126.49 1sac s LEU 35 Ca -0.00 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1sac s LEU 35 Cb -0.10 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 1sac s LEU 35 CO 0.01 -0.08 -0.24 0.00 -1.32 0.00 0.00 176.35 174.73 1sac s PHE 37 N -0.78 -0.16 -0.00 0.00 -0.71 0.11 -1.20 117.98 115.24 1sac s PHE 37 Ca 0.10 -0.22 -0.01 0.00 -1.04 0.00 0.00 56.93 55.75 1sac s PHE 37 Cb -0.09 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.21 1sac s PHE 37 CO 0.02 -1.06 0.12 1.03 -1.34 0.00 0.00 175.22 173.99 1sac s ARG 38 N -3.89 3.20 0.05 1.99 0.52 -0.40 -0.55 118.95 119.87 1sac s ARG 38 Ca 0.10 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1sac s ARG 38 Cb -0.03 -2.94 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 1sac s ARG 38 CO 0.01 0.66 -0.04 0.00 0.02 0.00 0.00 175.30 175.95 1sac s ALA 39 N -1.25 0.49 -0.12 2.13 0.00 0.84 -2.11 121.76 121.73 1sac s ALA 39 Ca 0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1sac s ALA 39 Cb -0.12 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.23 1sac s ALA 39 CO 0.16 -0.24 0.08 -0.47 0.00 0.00 0.00 175.76 175.28 1sac s TYR 40 N -2.84 0.16 -0.05 0.00 5.04 0.14 -0.65 117.35 119.15 1sac s TYR 40 Ca -0.01 -0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.37 1sac s TYR 40 Cb 0.00 -0.62 0.03 0.00 0.35 0.00 0.00 41.96 41.72 1sac s TYR 40 CO -0.05 -0.39 0.31 0.45 -1.34 0.00 0.00 175.55 174.53 1sac s SER 41 N 2.14 -0.24 -0.12 4.32 0.15 -1.26 -0.99 113.70 117.70 1sac s SER 41 Ca 0.03 0.29 0.18 0.00 0.70 0.00 0.00 55.95 57.15 1sac s SER 41 Cb -0.15 0.44 0.27 0.00 -1.71 0.00 0.00 66.02 64.88 1sac s SER 41 CO -0.07 -0.33 1.14 -0.90 1.20 0.00 0.00 173.24 174.29 1sac n ASP 42 N 1.87 2.23 -4.71 5.45 5.68 -1.26 -4.52 116.55 121.28 1sac n ASP 42 Ca -0.18 -3.02 -0.42 0.00 -0.50 0.00 0.00 54.79 50.67 1sac n ASP 42 Cb 0.57 -0.41 -0.01 0.00 -1.14 0.00 0.00 41.12 40.13 1sac n ASP 42 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sac n LEU 43 N -1.35 3.82 -0.04 -2.12 4.32 -1.26 -4.95 117.00 115.41 1sac n LEU 43 Ca 0.15 1.20 0.00 0.00 -0.02 0.00 0.00 56.01 57.35 1sac n LEU 43 Cb 0.64 -1.51 -0.12 0.00 -1.62 0.00 0.00 43.42 40.81 1sac n LEU 43 CO 0.01 -0.31 -0.82 -1.20 -1.22 0.00 0.00 177.39 173.85 1sac n SER 44 N 0.93 1.50 -4.72 -1.43 7.64 -1.26 -4.98 113.62 111.30 1sac n SER 44 Ca 0.05 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1sac n SER 44 Cb 0.36 1.28 0.14 0.00 -1.01 0.00 0.00 64.21 64.99 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 -2.71 1.08 0.50 1.43 1.70 -1.26 -4.67 118.95 115.02 1sac s ARG 45 Ca -0.06 0.65 -0.22 0.00 -0.47 0.00 0.00 55.73 55.62 1sac s ARG 45 Cb 0.07 -1.80 -0.06 0.00 -0.57 0.00 0.00 34.95 32.59 1sac s ARG 45 CO 0.61 -2.32 1.26 0.00 -1.08 0.00 0.00 175.30 173.77 1sac s ALA 46 N -3.01 2.92 0.04 7.88 0.00 -1.25 -4.79 121.76 123.54 1sac s ALA 46 Ca 0.64 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 1sac s ALA 46 Cb -0.17 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1sac s ALA 46 CO 0.56 -0.98 0.35 1.52 0.00 0.00 0.00 175.76 177.22 1sac s TYR 47 N -1.43 -0.19 -0.09 0.00 -0.85 -0.83 -4.46 117.35 109.51 1sac s TYR 47 Ca 0.67 0.12 -0.26 0.00 -0.52 0.00 0.00 57.07 57.08 1sac s TYR 47 Cb -0.34 0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 1sac s TYR 47 CO 0.41 -0.52 0.84 0.45 -1.52 0.00 0.00 175.55 175.21 1sac s SER 48 N -1.95 7.09 -0.10 -0.18 0.15 -0.21 -0.72 113.70 117.79 1sac s SER 48 Ca -0.06 1.33 0.04 0.00 0.70 0.00 0.00 55.95 57.95 1sac s SER 48 Cb -0.01 -2.48 -0.24 0.00 -1.71 0.00 0.00 66.02 61.58 1sac s SER 48 CO -0.02 -0.27 0.46 0.18 1.20 0.00 0.00 173.24 174.79 1sac n LEU 49 N 4.39 1.72 -3.35 3.45 7.99 0.49 -4.52 117.00 127.16 1sac n LEU 49 Ca 0.03 0.28 0.02 0.00 -0.01 0.00 0.00 56.01 56.33 1sac n LEU 49 Cb 0.50 -0.44 -0.02 0.00 -0.11 0.00 0.00 43.42 43.35 1sac n LEU 49 CO 0.49 0.63 0.23 0.12 -1.51 0.00 0.00 177.39 177.35 1sac s PHE 50 N -2.57 -1.44 -0.28 -1.77 2.19 -1.08 -4.71 117.98 108.32 1sac s PHE 50 Ca -0.14 1.89 0.02 0.00 0.33 0.00 0.00 56.93 59.03 1sac s PHE 50 Cb 0.07 0.64 0.06 0.00 -1.31 0.00 0.00 43.02 42.49 1sac s PHE 50 CO 0.79 -0.76 -0.06 0.45 1.83 0.00 0.00 175.22 177.47 1sac s SER 51 N 2.86 4.61 -0.33 6.13 0.15 -1.02 -0.97 113.70 125.14 1sac s SER 51 Ca 0.09 -1.43 0.04 0.00 0.70 0.00 0.00 55.95 55.35 1sac s SER 51 Cb -0.13 -1.61 0.09 0.00 -1.71 0.00 0.00 66.02 62.66 1sac s SER 51 CO -0.20 -0.23 0.03 -0.47 1.20 0.00 0.00 173.24 173.57 1sac s TYR 52 N 1.13 3.68 0.12 3.44 6.14 0.17 -0.80 117.35 131.23 1sac s TYR 52 Ca -0.06 -2.88 0.09 0.00 0.64 0.00 0.00 57.07 54.85 1sac s TYR 52 Cb -0.20 -2.77 -0.04 0.00 0.42 0.00 0.00 41.96 39.37 1sac s TYR 52 CO -0.04 -0.94 -0.17 -0.80 0.64 0.00 0.00 175.55 174.24 1sac s ASN 53 N 0.95 3.93 0.31 4.32 -0.87 -0.93 -1.02 114.94 121.64 1sac s ASN 53 Ca 0.08 -0.56 0.06 0.00 -1.57 0.00 0.00 52.86 50.87 1sac s ASN 53 Cb -0.19 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.25 40.41 1sac s ASN 53 CO -0.07 0.17 -0.03 0.42 -2.57 0.00 0.00 177.10 175.01 1sac s THR 54 N -1.22 1.66 -0.23 1.60 -4.23 -1.01 -0.18 115.64 112.03 1sac s THR 54 Ca 0.19 -2.09 -0.35 0.00 -1.18 0.00 0.00 61.69 58.26 1sac s THR 54 Cb -0.10 -2.60 -0.11 0.00 1.34 0.00 0.00 72.50 71.02 1sac s THR 54 CO 0.11 -0.20 2.03 1.67 -0.54 0.00 0.00 174.62 177.69 1sac n GLN 55 N -0.67 1.59 -1.00 3.99 7.27 -1.26 -1.15 117.38 126.16 1sac n GLN 55 Ca -0.05 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1sac n GLN 55 Cb 0.64 -2.58 0.00 0.00 2.41 0.00 0.00 30.24 30.72 1sac n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1sac n GLY 56 N 5.38 0.66 2.83 1.69 0.00 -1.26 -4.99 105.19 109.51 1sac n GLY 56 Ca 0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.03 1.11 0.31 1.61 0.52 -0.30 -5.12 118.95 117.05 1sac s ARG 57 Ca 0.00 -0.48 -0.24 0.00 -0.52 0.00 0.00 55.73 54.49 1sac s ARG 57 Cb 0.00 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.37 1sac s ARG 57 CO 0.00 -0.51 0.89 0.34 0.02 0.00 0.00 175.30 176.04 1sac s ASP 58 N 1.71 7.23 -1.44 0.23 2.15 -1.26 -2.40 116.67 122.89 1sac s ASP 58 Ca -0.00 1.71 -0.11 0.00 0.43 0.00 0.00 52.55 54.58 1sac s ASP 58 Cb -0.16 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1sac s ASP 58 CO -0.07 -0.07 1.08 0.59 -0.17 0.00 0.00 175.17 176.53 1sac n ASN 59 N 0.49 -5.48 -0.19 -0.34 3.02 -1.26 -4.23 115.26 107.26 1sac n ASN 59 Ca 0.01 -0.66 -0.01 0.00 -0.03 0.00 0.00 54.58 53.90 1sac n ASN 59 Cb 0.51 -4.49 0.22 0.00 -0.61 0.00 0.00 39.78 35.40 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 -2.40 0.95 -1.37 3.52 4.57 -1.69 -1.55 114.58 116.62 1sac h GLU 60 Ca -0.58 -0.11 0.06 0.00 -1.18 0.00 0.00 59.36 57.56 1sac h GLU 60 Cb 1.37 -0.19 -0.22 0.00 -0.16 0.00 0.00 28.75 29.56 1sac h GLU 60 CO 0.61 0.70 -0.26 -1.17 -1.18 0.00 0.00 179.01 177.72 1sac s LEU 61 N -9.68 -1.24 -0.07 1.64 2.96 -0.19 -1.32 118.68 110.79 1sac s LEU 61 Ca -0.11 0.99 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1sac s LEU 61 Cb 0.17 2.08 0.03 0.00 0.50 0.00 0.00 46.19 48.97 1sac s LEU 61 CO 0.79 -0.25 0.00 -0.22 -1.32 0.00 0.00 176.35 175.35 1sac s LEU 62 N 2.83 0.61 -0.26 -0.68 2.96 -0.85 -0.66 118.68 122.64 1sac s LEU 62 Ca 0.13 -0.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1sac s LEU 62 Cb -0.14 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.08 1sac s LEU 62 CO -0.20 -0.19 0.16 -0.69 -1.32 0.00 0.00 176.35 174.11 1sac s VAL 63 N 1.92 5.21 -0.05 1.68 1.01 -0.15 -0.99 120.40 129.03 1sac s VAL 63 Ca 0.04 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1sac s VAL 63 Cb -0.12 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1sac s VAL 63 CO -0.05 0.30 -0.13 -0.47 0.00 0.00 0.00 175.10 174.75 1sac s TYR 64 N 1.42 1.47 -0.28 5.22 5.04 -0.29 -0.38 117.35 129.54 1sac s TYR 64 Ca 0.07 -0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 54.09 1sac s TYR 64 Cb -0.15 -1.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.07 1sac s TYR 64 CO 0.07 -0.22 0.23 0.21 -1.34 0.00 0.00 175.55 174.50 1sac s LYS 65 N 0.41 3.92 0.08 4.97 2.20 0.10 -1.07 119.74 130.35 1sac s LYS 65 Ca -0.10 -0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.09 1sac s LYS 65 Cb -0.14 -3.67 -0.22 0.00 -1.51 0.00 0.00 37.83 32.29 1sac s LYS 65 CO 0.03 -0.23 1.21 0.93 -0.36 0.00 0.00 175.35 176.93 1sac h GLU 66 N 8.35 0.71 0.00 4.03 4.39 -1.73 -2.21 114.58 128.12 1sac h GLU 66 Ca -0.34 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.61 1sac h GLU 66 Cb 1.18 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.04 1sac h GLU 66 CO 0.58 1.32 0.00 2.89 -1.16 0.00 0.00 179.01 182.64 1sac n ARG 67 N -3.86 0.00 -1.63 2.33 1.85 -1.25 -3.97 116.66 110.13 1sac n ARG 67 Ca -0.11 0.00 -0.48 0.00 -1.00 0.00 0.00 57.85 56.26 1sac n ARG 67 Cb 0.87 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.23 1sac n ARG 67 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1sac n VAL 68 N -0.11 0.11 -0.61 8.89 0.31 -1.26 -2.25 118.33 123.40 1sac n VAL 68 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1sac n VAL 68 Cb 0.00 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.89 0.77 2.66 2.92 0.00 -1.26 -5.02 105.19 108.16 1sac n GLY 69 Ca 0.17 0.00 -0.23 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 -0.39 0.05 0.04 1.61 2.12 -0.95 -1.00 118.70 120.18 1sac s GLU 70 Ca 0.00 0.11 0.08 0.00 0.36 0.00 0.00 54.97 55.52 1sac s GLU 70 Cb 0.00 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.02 1sac s GLU 70 CO 0.00 -0.57 -0.23 0.71 -0.54 0.00 0.00 175.26 174.63 1sac s TYR 71 N 2.19 2.42 0.06 5.30 1.51 -0.32 -2.21 117.35 126.30 1sac s TYR 71 Ca 0.03 -0.35 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1sac s TYR 71 Cb -0.15 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1sac s TYR 71 CO -0.08 0.18 -0.20 -1.12 -1.11 0.00 0.00 175.55 173.22 1sac s SER 72 N -1.31 2.43 -0.09 2.29 0.01 -0.23 -1.14 113.70 115.65 1sac s SER 72 Ca 0.13 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1sac s SER 72 Cb -0.10 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.98 1sac s SER 72 CO 0.03 0.11 -0.08 -0.22 0.41 0.00 0.00 173.24 173.49 1sac s LEU 73 N -1.45 1.28 -0.20 2.44 2.96 -0.54 -1.14 118.68 122.03 1sac s LEU 73 Ca 0.06 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1sac s LEU 73 Cb -0.09 -0.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 1sac s LEU 73 CO 0.03 -0.08 0.05 -0.31 -1.32 0.00 0.00 176.35 174.72 1sac s TYR 74 N 1.36 3.17 -0.23 5.38 1.51 -0.16 -1.83 117.35 126.54 1sac s TYR 74 Ca -0.02 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 1sac s TYR 74 Cb -0.14 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1sac s TYR 74 CO -0.04 -0.02 -0.14 0.42 -1.11 0.00 0.00 175.55 174.66 1sac s ILE 75 N 0.72 2.13 -1.27 2.71 -1.09 0.29 -2.00 121.20 122.69 1sac s ILE 75 Ca 0.03 -1.36 -0.01 0.00 -2.23 0.00 0.00 60.65 57.08 1sac s ILE 75 Cb -0.14 -2.12 -0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1sac s ILE 75 CO 0.02 0.20 0.78 0.61 -1.23 0.00 0.00 174.94 175.32 1sac n GLY 76 N 4.51 -0.34 3.32 6.18 0.00 -0.44 -1.71 105.19 116.71 1sac n GLY 76 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.21 -0.26 -3.53 1.61 1.74 -0.59 -4.98 116.66 106.44 1sac n ARG 77 Ca -0.29 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.56 1sac n ARG 77 Cb 0.67 -3.72 -0.04 0.00 -1.02 0.00 0.00 32.46 28.36 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 -2.13 3.47 -0.03 -1.55 3.76 -0.69 -5.07 115.29 113.05 1sac s HIS 78 Ca 0.00 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1sac s HIS 78 Cb 0.00 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.67 1sac s HIS 78 CO 0.00 0.30 0.12 0.21 -0.85 0.00 0.00 174.74 174.52 1sac s LYS 79 N -3.19 0.26 0.01 1.40 2.20 -1.26 -0.55 119.74 118.61 1sac s LYS 79 Ca 0.42 -0.06 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 1sac s LYS 79 Cb -0.11 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.31 1sac s LYS 79 CO 0.27 -0.05 -0.14 0.14 -0.36 0.00 0.00 175.35 175.21 1sac s VAL 80 N -0.49 1.11 0.01 4.02 -7.23 -0.76 -5.00 120.40 112.05 1sac s VAL 80 Ca -0.06 -0.79 0.05 0.00 -1.81 0.00 0.00 61.98 59.37 1sac s VAL 80 Cb -0.04 -0.97 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 1sac s VAL 80 CO 0.00 0.17 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.93 1sac s THR 81 N -0.57 1.15 0.02 5.32 2.01 -1.26 -1.46 115.64 120.84 1sac s THR 81 Ca 0.04 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1sac s THR 81 Cb -0.07 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 1sac s THR 81 CO 0.00 0.21 -0.05 -0.44 -0.69 0.00 0.00 174.62 173.66 1sac s SER 82 N -0.65 0.49 0.22 3.53 0.01 -0.30 -4.99 113.70 112.02 1sac s SER 82 Ca 0.04 -0.40 0.08 0.00 1.31 0.00 0.00 55.95 56.99 1sac s SER 82 Cb -0.06 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 1sac s SER 82 CO 0.00 -0.17 0.02 -0.54 0.41 0.00 0.00 173.24 172.96 1sac s LYS 83 N -1.13 2.42 -0.02 12.44 1.02 -1.26 -1.18 119.74 132.04 1sac s LYS 83 Ca -0.09 -1.23 -0.19 0.00 0.02 0.00 0.00 55.97 54.47 1sac s LYS 83 Cb -0.08 -2.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1sac s LYS 83 CO -0.00 0.41 0.41 0.54 -0.92 0.00 0.00 175.35 175.79 1sac s VAL 84 N -2.04 0.04 0.04 3.17 0.11 -0.17 -4.72 120.40 116.84 1sac s VAL 84 Ca 0.30 -0.34 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 1sac s VAL 84 Cb -0.08 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1sac s VAL 84 CO 0.20 -0.19 1.24 -0.63 -3.33 0.00 0.00 175.10 172.39 1sac s ILE 85 N -1.31 3.97 -0.03 7.04 1.01 -1.26 -4.37 121.20 126.25 1sac s ILE 85 Ca -0.13 1.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.81 1sac s ILE 85 Cb -0.04 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.55 1sac s ILE 85 CO 0.06 0.08 0.23 -0.70 0.00 0.00 0.00 174.94 174.61 1sac s GLU 86 N 1.35 0.51 0.16 2.79 2.12 -1.26 -5.03 118.70 119.34 1sac s GLU 86 Ca 0.59 -0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.71 1sac s GLU 86 Cb -0.30 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.26 1sac s GLU 86 CO 0.28 -0.12 0.43 0.15 -0.54 0.00 0.00 175.26 175.46 1sac s LYS 87 N -1.00 3.69 -0.03 4.30 1.02 -1.26 -4.87 119.74 121.59 1sac s LYS 87 Ca -0.11 0.06 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1sac s LYS 87 Cb -0.05 -2.81 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1sac s LYS 87 CO 0.02 0.44 -0.03 0.12 -0.92 0.00 0.00 175.35 174.98 1sac s PHE 88 N -1.66 0.55 0.52 3.18 5.36 -1.26 -3.80 117.98 120.86 1sac s PHE 88 Ca 0.42 -0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 56.10 1sac s PHE 88 Cb -0.12 -0.53 -0.07 0.00 -0.34 0.00 0.00 43.02 41.95 1sac s PHE 88 CO 0.23 -0.15 1.00 -2.14 -1.46 0.00 0.00 175.22 172.70 1sac s PRO 89 N 0.88 3.83 -0.14 10.12 0.02 -1.26 -5.20 135.00 143.25 1sac s PRO 89 Ca -0.10 1.05 -0.27 0.00 0.02 0.00 0.00 61.00 61.70 1sac s PRO 89 Cb -0.13 -2.11 0.07 0.00 0.02 0.00 0.00 34.50 32.34 1sac s PRO 89 CO -0.01 -0.38 0.66 0.00 -0.33 0.00 0.00 177.00 176.94 1sac s ALA 90 N -2.50 -1.67 0.66 -1.55 0.00 -1.25 -5.11 121.76 110.35 1sac s ALA 90 Ca 0.61 1.53 -0.17 0.00 0.00 0.00 0.00 51.96 53.93 1sac s ALA 90 Cb -0.12 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1sac s ALA 90 CO 0.30 -0.34 1.24 -2.14 0.00 0.00 0.00 175.76 174.82 1sac s PRO 91 N -0.49 2.52 0.00 0.00 0.02 -1.26 -4.58 135.00 131.22 1sac s PRO 91 Ca -0.06 1.89 0.01 0.00 0.02 0.00 0.00 61.00 62.85 1sac s PRO 91 Cb -0.02 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 1sac s PRO 91 CO 0.05 -1.58 -0.03 0.54 -0.33 0.00 0.00 177.00 175.66 1sac s VAL 92 N -1.67 0.18 -0.23 3.83 0.11 0.18 -5.00 120.40 117.81 1sac s VAL 92 Ca 0.78 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 59.47 1sac s VAL 92 Cb -0.32 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1sac s VAL 92 CO 0.40 -0.06 0.09 -2.28 -3.33 0.00 0.00 175.10 169.92 1sac s HIS 93 N -0.35 3.18 -0.17 1.54 2.46 -1.26 -0.11 115.29 120.58 1sac s HIS 93 Ca -0.02 -0.10 0.01 0.00 0.47 0.00 0.00 55.06 55.41 1sac s HIS 93 Cb -0.03 -2.21 0.01 0.00 -0.13 0.00 0.00 32.58 30.22 1sac s HIS 93 CO -0.00 -0.11 -0.17 0.42 -2.47 0.00 0.00 174.74 172.41 1sac s ILE 94 N 1.15 2.38 -0.08 0.89 1.01 0.28 -0.53 121.20 126.30 1sac s ILE 94 Ca 0.05 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 1sac s ILE 94 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1sac s ILE 94 CO 0.04 0.52 -0.06 0.00 0.00 0.00 0.00 174.94 175.44 1sac s VAL 96 N -0.65 0.67 0.16 0.00 0.11 0.14 -1.41 120.40 119.41 1sac s VAL 96 Ca 0.10 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 1sac s VAL 96 Cb -0.11 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1sac s VAL 96 CO 0.02 0.19 -0.17 -0.94 -3.33 0.00 0.00 175.10 170.87 1sac s SER 97 N -0.16 2.51 -0.02 3.54 1.04 -0.66 -0.34 113.70 119.60 1sac s SER 97 Ca 0.03 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1sac s SER 97 Cb -0.04 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.95 1sac s SER 97 CO -0.00 -0.07 0.10 0.86 0.98 0.00 0.00 173.24 175.10 1sac s TRP 98 N -2.15 -0.03 -0.05 5.02 -0.00 -0.39 -1.25 118.94 120.09 1sac s TRP 98 Ca 0.15 0.08 -0.01 0.00 -0.00 0.00 0.00 56.10 56.32 1sac s TRP 98 Cb -0.05 -0.01 0.03 0.00 -0.00 0.00 0.00 33.47 33.44 1sac s TRP 98 CO 0.06 -0.13 0.01 -1.83 -0.00 0.00 0.00 176.95 175.06 1sac s GLU 99 N -0.48 0.35 0.22 5.86 -1.05 -0.96 -2.26 118.70 120.38 1sac s GLU 99 Ca -0.06 0.14 -0.08 0.00 -0.15 0.00 0.00 54.97 54.82 1sac s GLU 99 Cb -0.04 -0.66 0.29 0.00 -0.44 0.00 0.00 34.13 33.29 1sac s GLU 99 CO 0.00 -0.22 1.78 1.03 0.95 0.00 0.00 175.26 178.80 1sac h SER 100 N 7.82 0.43 -0.88 0.83 0.87 -1.58 0.45 113.55 121.49 1sac h SER 100 Ca -0.29 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1sac h SER 100 Cb 1.13 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 1sac h SER 100 CO 0.34 0.26 0.53 0.77 -0.53 0.00 0.00 176.83 178.20 1sac h SER 101 N 0.58 1.07 0.02 6.23 4.64 -1.92 0.22 113.55 124.39 1sac h SER 101 Ca 0.32 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1sac h SER 101 Cb 0.32 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1sac h SER 101 CO -0.25 0.82 -1.76 -1.54 -0.87 0.00 0.00 176.83 173.24 1sac n SER 102 N -4.36 0.23 -0.44 4.97 3.41 -1.09 -4.65 113.62 111.70 1sac n SER 102 Ca 0.10 -0.21 -0.06 0.00 -0.26 0.00 0.00 58.87 58.44 1sac n SER 102 Cb 0.07 1.75 -0.02 0.00 -0.26 0.00 0.00 64.21 65.74 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 1.31 0.73 3.75 5.00 0.00 0.16 -4.79 105.19 111.35 1sac n GLY 103 Ca -0.02 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.90 5.02 -0.13 -0.61 -1.09 -1.09 -1.40 121.20 120.00 1sac s ILE 104 Ca 0.00 1.17 -0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1sac s ILE 104 Cb 0.00 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 1sac s ILE 104 CO 0.00 0.37 -0.00 0.00 -1.23 0.00 0.00 174.94 174.08 1sac s ALA 105 N 0.15 3.19 -0.16 9.38 0.00 0.22 -2.27 121.76 132.28 1sac s ALA 105 Ca 0.30 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1sac s ALA 105 Cb -0.17 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.40 1sac s ALA 105 CO 0.15 0.37 -0.07 -2.00 0.00 0.00 0.00 175.76 174.21 1sac s GLU 106 N -0.16 1.59 -0.12 0.00 2.12 -0.38 -2.57 118.70 119.16 1sac s GLU 106 Ca 0.05 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 1sac s GLU 106 Cb -0.13 -1.96 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1sac s GLU 106 CO 0.02 -0.38 0.07 -0.06 -0.54 0.00 0.00 175.26 174.37 1sac s PHE 107 N 1.61 3.34 -0.26 5.30 0.08 -1.26 -1.66 117.98 125.13 1sac s PHE 107 Ca 0.02 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1sac s PHE 107 Cb -0.15 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.46 1sac s PHE 107 CO -0.08 0.48 0.00 -1.58 -0.10 0.00 0.00 175.22 173.94 1sac s TRP 108 N -0.59 2.21 -0.30 0.36 0.52 -0.50 0.06 118.94 120.70 1sac s TRP 108 Ca 0.11 -1.77 -0.09 0.00 0.02 0.00 0.00 56.10 54.37 1sac s TRP 108 Cb -0.12 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1sac s TRP 108 CO 0.02 -0.79 0.13 0.42 0.02 0.00 0.00 176.95 176.75 1sac s ILE 109 N 1.45 4.47 -1.62 2.03 -1.09 -0.22 -1.71 121.20 124.51 1sac s ILE 109 Ca 0.00 -0.42 -0.16 0.00 -2.23 0.00 0.00 60.65 57.85 1sac s ILE 109 Cb -0.18 -3.25 0.12 0.00 -1.58 0.00 0.00 42.46 37.57 1sac s ILE 109 CO -0.11 0.11 0.87 0.59 -1.23 0.00 0.00 174.94 175.17 1sac n ASN 110 N 4.96 -3.88 0.00 3.58 3.02 0.31 -1.03 115.26 122.21 1sac n ASN 110 Ca -0.14 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1sac n ASN 110 Cb 0.49 -3.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 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 -1.55 0.98 3.61 7.41 0.00 -1.26 -5.03 105.19 109.36 1sac n GLY 111 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.12 4.74 0.01 2.61 2.01 -0.19 -5.01 115.64 116.68 1sac s THR 112 Ca 0.00 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1sac s THR 112 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1sac s THR 112 CO 0.00 0.44 1.02 -2.16 -0.69 0.00 0.00 174.62 173.23 1sac s PRO 113 N 0.57 4.54 0.88 4.92 0.04 -1.26 -1.05 135.00 143.64 1sac s PRO 113 Ca 0.03 1.48 -0.14 0.00 0.04 0.00 0.00 61.00 62.42 1sac s PRO 113 Cb -0.13 -3.44 0.14 0.00 0.04 0.00 0.00 34.50 31.11 1sac s PRO 113 CO 0.01 -0.09 1.24 -0.51 0.04 0.00 0.00 177.00 177.69 1sac s LEU 114 N 1.02 2.55 0.21 -3.56 1.43 0.11 -4.97 118.68 115.47 1sac s LEU 114 Ca 0.53 0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 1sac s LEU 114 Cb -0.23 -2.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.05 1sac s LEU 114 CO 0.28 -2.32 1.44 -0.69 0.23 0.00 0.00 176.35 175.30 1sac s VAL 115 N -3.69 2.78 0.39 -1.59 1.01 -1.26 -4.66 120.40 113.38 1sac s VAL 115 Ca 0.67 0.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 1sac s VAL 115 Cb -0.08 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1sac s VAL 115 CO 0.51 0.08 1.23 -0.54 0.00 0.00 0.00 175.10 176.38 1sac s LYS 116 N 0.09 4.05 0.37 2.72 1.02 -1.26 -4.77 119.74 121.96 1sac s LYS 116 Ca 0.62 1.99 0.04 0.00 0.02 0.00 0.00 55.97 58.63 1sac s LYS 116 Cb -0.41 -2.75 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1sac s LYS 116 CO 0.39 -0.37 0.08 0.15 -0.92 0.00 0.00 175.35 174.68 1sac s LYS 117 N -2.21 1.79 0.01 1.68 -0.14 -1.06 -5.00 119.74 114.81 1sac s LYS 117 Ca 0.56 -2.04 -0.09 0.00 -1.36 0.00 0.00 55.97 53.04 1sac s LYS 117 Cb -0.34 -0.86 0.00 0.00 -1.68 0.00 0.00 37.83 34.95 1sac s LYS 117 CO 0.44 -0.29 0.17 0.20 -0.76 0.00 0.00 175.35 175.11 1sac s GLY 118 N -3.56 0.02 -0.01 -3.33 0.00 -1.26 -0.61 107.32 98.57 1sac s GLY 118 Ca 0.30 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 1sac s GLY 118 CO 0.14 -0.28 0.77 0.48 0.00 0.00 0.00 173.10 174.22 1sac s LEU 119 N -1.58 -0.51 -1.44 0.66 2.34 -0.49 -4.98 118.68 112.68 1sac s LEU 119 Ca -0.12 0.29 -0.04 0.00 0.06 0.00 0.00 54.13 54.32 1sac s LEU 119 Cb -0.05 2.29 0.02 0.00 -0.56 0.00 0.00 46.19 47.89 1sac s LEU 119 CO 0.00 -0.65 0.38 0.54 -1.06 0.00 0.00 176.35 175.56 1sac n ARG 120 N 0.25 -3.58 -1.67 1.48 5.12 -1.26 -4.47 116.66 112.53 1sac n ARG 120 Ca -0.14 0.76 -0.49 0.00 -1.93 0.00 0.00 57.85 56.05 1sac n ARG 120 Cb 0.60 -5.51 -0.05 0.00 -1.16 0.00 0.00 32.46 26.34 1sac n ARG 120 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1sac n GLN 121 N -3.59 1.93 -0.48 5.56 7.27 -1.26 -1.21 117.38 125.60 1sac n GLN 121 Ca -0.11 0.71 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1sac n GLN 121 Cb 0.61 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.77 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 3.93 0.75 3.87 1.69 0.00 0.75 -4.94 105.19 111.23 1sac n GLY 122 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.66 3.44 -0.24 1.61 5.04 -0.35 -5.03 117.35 119.16 1sac s TYR 123 Ca 0.00 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.60 1sac s TYR 123 Cb 0.00 -2.31 0.05 0.00 0.35 0.00 0.00 41.96 40.05 1sac s TYR 123 CO 0.00 0.27 -0.12 -0.06 -1.34 0.00 0.00 175.55 174.30 1sac s PHE 124 N -1.79 3.09 0.16 4.97 0.08 -1.26 -4.68 117.98 118.54 1sac s PHE 124 Ca 0.47 -2.15 -0.31 0.00 0.12 0.00 0.00 56.93 55.05 1sac s PHE 124 Cb -0.12 -1.88 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 1sac s PHE 124 CO 0.20 -0.85 1.56 0.54 -0.10 0.00 0.00 175.22 176.57 1sac s VAL 125 N 1.17 2.70 0.82 -0.44 0.11 -0.80 -4.74 120.40 119.22 1sac s VAL 125 Ca -0.06 0.49 -0.11 0.00 -2.93 0.00 0.00 61.98 59.37 1sac s VAL 125 Cb -0.19 -3.32 0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1sac s VAL 125 CO -0.06 0.04 1.12 -1.61 -3.33 0.00 0.00 175.10 171.26 1sac s GLU 126 N 1.22 1.77 0.67 1.54 0.41 -1.26 0.01 118.70 123.05 1sac s GLU 126 Ca 0.70 1.37 0.04 0.00 -0.41 0.00 0.00 54.97 56.67 1sac s GLU 126 Cb -0.43 -1.83 0.12 0.00 -1.78 0.00 0.00 34.13 30.22 1sac s GLU 126 CO 0.31 -2.04 0.92 0.00 -0.49 0.00 0.00 175.26 173.96 1sac n ALA 127 N -3.71 0.63 -3.33 5.21 0.00 -1.26 -4.65 120.51 113.39 1sac n ALA 127 Ca 0.11 -2.01 -0.16 0.00 0.00 0.00 0.00 53.44 51.37 1sac n ALA 127 Cb 0.52 0.43 0.08 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.60 -4.98 -2.64 0.00 6.02 -0.00 -4.83 117.38 108.34 1sac n GLN 128 Ca 0.16 0.84 -0.23 0.00 -0.01 0.00 0.00 57.00 57.77 1sac n GLN 128 Cb 0.59 -5.78 0.04 0.00 1.02 0.00 0.00 30.24 26.10 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 -4.99 2.64 -0.32 -1.09 0.04 -1.26 -4.52 135.00 125.49 1sac s PRO 129 Ca 0.16 -0.59 0.02 0.00 0.04 0.00 0.00 61.00 60.63 1sac s PRO 129 Cb -0.02 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 32.17 1sac s PRO 129 CO 0.72 -0.69 0.05 0.21 0.04 0.00 0.00 177.00 177.33 1sac s LYS 130 N -4.80 1.32 -0.26 4.56 2.20 0.74 -4.92 119.74 118.58 1sac s LYS 130 Ca 0.55 -1.58 -0.14 0.00 -0.36 0.00 0.00 55.97 54.44 1sac s LYS 130 Cb -0.10 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 1sac s LYS 130 CO 0.40 -0.91 0.33 0.42 -0.36 0.00 0.00 175.35 175.22 1sac s ILE 131 N 1.13 5.22 0.02 5.43 1.01 -1.26 -2.18 121.20 130.58 1sac s ILE 131 Ca 0.09 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.29 1sac s ILE 131 Cb -0.19 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 1sac s ILE 131 CO -0.12 0.20 -0.19 0.68 0.00 0.00 0.00 174.94 175.51 1sac s VAL 132 N 1.83 1.52 -0.06 2.92 -7.23 0.02 -0.60 120.40 118.79 1sac s VAL 132 Ca 0.14 -1.04 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1sac s VAL 132 Cb -0.15 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1sac s VAL 132 CO 0.09 0.24 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.21 1sac s LEU 133 N -0.93 2.66 0.00 1.32 1.02 -0.03 -2.42 118.68 120.31 1sac s LEU 133 Ca 0.06 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 53.97 1sac s LEU 133 Cb -0.08 -1.54 0.00 0.00 0.02 0.00 0.00 46.19 44.59 1sac s LEU 133 CO 0.01 0.31 0.00 0.61 0.02 0.00 0.00 176.35 177.30 1sac n GLY 134 N 2.55 2.99 3.53 -3.19 0.00 -1.26 -1.64 105.19 108.17 1sac n GLY 134 Ca -0.17 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 1.78 -0.24 1.61 -1.52 -1.26 -1.18 119.66 118.85 1sac s GLN 135 Ca 0.00 -1.95 -0.04 0.00 -1.95 0.00 0.00 55.36 51.42 1sac s GLN 135 Cb 0.00 -1.48 -0.00 0.00 -0.22 0.00 0.00 33.01 31.31 1sac s GLN 135 CO 0.00 0.03 -0.02 -2.00 -0.25 0.00 0.00 175.29 173.06 1sac s GLU 136 N -3.69 3.25 0.32 2.91 -6.30 -1.26 -4.68 118.70 109.25 1sac s GLU 136 Ca 0.33 -0.71 -0.27 0.00 -2.50 0.00 0.00 54.97 51.81 1sac s GLU 136 Cb 0.05 -3.09 -0.09 0.00 0.00 0.00 0.00 34.13 31.00 1sac s GLU 136 CO 0.16 -0.27 1.02 -0.65 0.02 0.00 0.00 175.26 175.53 1sac s GLN 137 N 1.46 4.53 0.00 4.30 -0.21 -1.26 -3.82 119.66 124.66 1sac s GLN 137 Ca 0.04 1.54 0.00 0.00 0.02 0.00 0.00 55.36 56.96 1sac s GLN 137 Cb -0.15 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.94 1sac s GLN 137 CO -0.02 0.18 0.36 -0.25 -2.12 0.00 0.00 175.29 173.44 1sac n ASP 138 N 0.72 0.71 -1.55 5.90 9.92 0.30 -4.71 116.55 127.84 1sac n ASP 138 Ca 0.01 -0.99 -0.05 0.00 -0.53 0.00 0.00 54.79 53.23 1sac n ASP 138 Cb 0.48 0.01 -0.02 0.00 -0.64 0.00 0.00 41.12 40.95 1sac n ASP 138 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1sac n SER 139 N -0.01 -0.22 -4.54 -2.24 3.41 -0.84 -4.86 113.62 104.33 1sac n SER 139 Ca 0.00 -1.54 -0.43 0.00 -0.26 0.00 0.00 58.87 56.64 1sac n SER 139 Cb 0.07 0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1sac n SER 139 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1sac s TYR 140 N -2.82 3.00 0.00 7.33 5.04 -1.26 -3.37 117.35 125.27 1sac s TYR 140 Ca 0.10 -1.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 1sac s TYR 140 Cb 0.00 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.72 1sac s TYR 140 CO 0.07 -1.68 0.00 0.41 -1.34 0.00 0.00 175.55 173.01 1sac n GLY 141 N 5.11 0.65 0.00 8.97 0.00 -1.26 -5.04 105.19 113.62 1sac n GLY 141 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.57 3.22 3.55 -0.02 0.00 -1.22 -4.99 105.19 104.16 1sac n GLY 142 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.87 -1.80 1.61 5.02 -1.26 -0.53 118.16 119.33 1sac n LYS 143 Ca 0.00 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.57 1sac n LYS 143 Cb 0.00 -4.74 0.03 0.00 -0.02 0.00 0.00 35.03 30.30 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 -3.46 3.08 -0.12 2.13 0.08 -1.26 -2.30 117.98 116.13 1sac s PHE 144 Ca 0.43 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.92 1sac s PHE 144 Cb -0.12 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 1sac s PHE 144 CO 0.82 -1.14 -0.03 0.34 -0.10 0.00 0.00 175.22 175.11 1sac s ASP 145 N -3.36 2.19 0.42 1.36 -1.08 -1.25 -4.99 116.67 109.95 1sac s ASP 145 Ca 0.60 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 52.43 1sac s ASP 145 Cb -0.15 -0.67 1.06 0.00 -1.46 0.00 0.00 42.92 41.71 1sac s ASP 145 CO 0.47 -0.19 1.90 -0.09 0.52 0.00 0.00 175.17 177.78 1sac h ARG 146 N 8.23 0.40 -0.28 4.34 2.43 -1.93 -1.11 114.38 126.46 1sac h ARG 146 Ca -0.23 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1sac h ARG 146 Cb 1.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1sac h ARG 146 CO 0.34 0.27 0.00 -1.13 -1.51 0.00 0.00 179.97 177.94 1sac n SER 147 N -4.49 2.14 -0.11 -3.80 3.41 -1.26 -2.84 113.62 106.67 1sac n SER 147 Ca 0.16 -1.85 0.01 0.00 -0.26 0.00 0.00 58.87 56.94 1sac n SER 147 Cb 0.59 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.64 0.38 -2.04 4.33 6.02 -0.45 -4.66 117.38 121.61 1sac n GLN 148 Ca 0.16 -0.92 -0.36 0.00 -0.01 0.00 0.00 57.00 55.87 1sac n GLN 148 Cb 0.38 -1.05 0.03 0.00 1.02 0.00 0.00 30.24 30.62 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 -0.43 5.28 -0.21 1.08 1.04 -1.01 -1.04 113.70 118.40 1sac s SER 149 Ca 0.03 2.38 -0.04 0.00 0.48 0.00 0.00 55.95 58.80 1sac s SER 149 Cb 0.02 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 1sac s SER 149 CO 0.03 -1.53 -0.02 0.12 0.98 0.00 0.00 173.24 172.82 1sac s PHE 150 N -1.60 2.99 -0.17 5.02 5.36 -0.32 -4.66 117.98 124.61 1sac s PHE 150 Ca 0.76 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.06 1sac s PHE 150 Cb -0.30 -2.10 0.03 0.00 -0.34 0.00 0.00 43.02 40.31 1sac s PHE 150 CO 0.33 -0.39 -0.14 0.54 -1.46 0.00 0.00 175.22 174.09 1sac s VAL 151 N 1.26 1.70 -4.33 3.12 0.11 -1.26 -4.73 120.40 116.26 1sac s VAL 151 Ca 0.03 -0.80 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1sac s VAL 151 Cb -0.14 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1sac s VAL 151 CO -0.00 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1sac n GLY 152 N 4.72 -0.53 3.20 6.54 0.00 -0.87 -4.52 105.19 113.73 1sac n GLY 152 Ca -0.17 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.73 2.55 -0.11 1.61 2.02 -0.16 -0.64 118.70 122.23 1sac s GLU 153 Ca 0.00 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.23 1sac s GLU 153 Cb 0.00 -2.04 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 1sac s GLU 153 CO 0.00 0.23 -0.21 0.42 0.02 0.00 0.00 175.26 175.71 1sac s ILE 154 N 0.20 2.28 0.32 -1.63 1.01 -0.75 0.29 121.20 122.91 1sac s ILE 154 Ca -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1sac s ILE 154 Cb -0.16 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1sac s ILE 154 CO 0.06 0.55 0.16 -0.83 0.00 0.00 0.00 174.94 174.88 1sac s GLY 155 N 0.37 2.14 -1.27 6.18 0.00 -0.90 -1.68 107.32 112.16 1sac s GLY 155 Ca -0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 42.82 1sac s GLY 155 CO 0.08 -1.62 0.75 1.22 0.00 0.00 0.00 173.10 173.53 1sac n ASP 156 N -0.99 -1.78 -4.59 1.64 8.00 -1.26 -1.27 116.55 116.30 1sac n ASP 156 Ca 0.00 -0.80 -0.38 0.00 0.71 0.00 0.00 54.79 54.32 1sac n ASP 156 Cb 0.65 -4.20 -0.11 0.00 -0.02 0.00 0.00 41.12 37.44 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 -6.56 4.07 -0.03 0.64 2.96 -1.26 -3.95 118.68 114.56 1sac s LEU 157 Ca 0.05 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1sac s LEU 157 Cb -0.01 -2.19 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1sac s LEU 157 CO 0.80 -0.10 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.28 1sac s TYR 158 N 1.83 1.42 -0.08 5.38 2.02 -0.34 -2.03 117.35 125.55 1sac s TYR 158 Ca 0.09 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1sac s TYR 158 Cb -0.16 -0.96 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1sac s TYR 158 CO 0.11 -0.12 -0.02 1.41 -1.57 0.00 0.00 175.55 175.35 1sac s MET 159 N 0.01 0.89 0.23 -0.62 1.75 0.18 -1.47 119.30 120.28 1sac s MET 159 Ca -0.02 -0.01 0.06 0.00 -1.25 0.00 0.00 55.69 54.47 1sac s MET 159 Cb -0.10 -1.13 -0.04 0.00 2.84 0.00 0.00 34.83 36.41 1sac s MET 159 CO 0.01 -0.27 0.20 -1.58 -0.65 0.00 0.00 175.02 172.73 1sac s TRP 160 N 1.80 3.15 -0.36 4.11 0.51 -0.47 -1.18 118.94 126.50 1sac s TRP 160 Ca 0.04 -0.08 0.08 0.00 -2.12 0.00 0.00 56.10 54.01 1sac s TRP 160 Cb -0.13 -1.44 0.69 0.00 -0.81 0.00 0.00 33.47 31.78 1sac s TRP 160 CO -0.06 0.52 1.80 -0.40 -0.51 0.00 0.00 176.95 178.30 1sac n ASP 161 N -1.01 4.17 -4.35 2.95 5.75 -1.26 -2.74 116.55 120.06 1sac n ASP 161 Ca -0.08 -3.41 -0.18 0.00 -0.01 0.00 0.00 54.79 51.11 1sac n ASP 161 Cb 0.57 -0.76 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.33 1.57 -0.33 -1.12 1.04 -1.26 -4.42 113.70 107.84 1sac s SER 162 Ca 0.54 -1.35 -0.25 0.00 0.48 0.00 0.00 55.95 55.37 1sac s SER 162 Cb 0.45 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1sac s SER 162 CO 0.11 -0.66 0.90 -0.69 0.98 0.00 0.00 173.24 173.87 1sac s VAL 163 N -3.59 4.66 0.16 5.02 1.01 -1.26 -2.03 120.40 124.36 1sac s VAL 163 Ca 0.35 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.31 1sac s VAL 163 Cb 0.08 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 1sac s VAL 163 CO 0.13 -0.41 0.97 -0.76 0.00 0.00 0.00 175.10 175.03 1sac s LEU 164 N 3.29 4.55 0.85 3.92 1.02 -1.26 -5.03 118.68 126.02 1sac s LEU 164 Ca 0.37 1.88 -0.11 0.00 0.02 0.00 0.00 54.13 56.29 1sac s LEU 164 Cb -0.13 -3.60 0.10 0.00 0.02 0.00 0.00 46.19 42.58 1sac s LEU 164 CO 0.16 -0.01 1.09 -2.16 0.02 0.00 0.00 176.35 175.45 1sac s PRO 165 N -0.43 1.65 0.29 1.29 0.04 -1.26 -4.80 135.00 131.77 1sac s PRO 165 Ca 0.45 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.28 1sac s PRO 165 Cb -0.25 -1.86 0.69 0.00 0.04 0.00 0.00 34.50 33.12 1sac s PRO 165 CO 0.31 -1.96 1.74 -1.35 0.04 0.00 0.00 177.00 175.79 1sac h PRO 166 N -1.34 0.58 -0.00 0.56 0.11 -2.00 -1.35 132.00 128.56 1sac h PRO 166 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1sac h PRO 166 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1sac h PRO 166 CO 0.56 0.38 -0.36 0.93 -0.21 0.00 0.00 178.00 179.30 1sac h GLU 167 N 0.59 0.01 0.00 1.05 4.39 -1.99 -0.83 114.58 117.79 1sac h GLU 167 Ca 0.54 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 60.12 1sac h GLU 167 Cb 0.90 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1sac h GLU 167 CO -0.43 0.37 -0.56 -0.91 -1.16 0.00 0.00 179.01 176.32 1sac h ASN 168 N 0.01 0.00 0.15 1.42 4.21 -1.62 -1.11 115.58 118.64 1sac h ASN 168 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1sac h ASN 168 Cb 0.65 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1sac h ASN 168 CO 0.05 0.56 -0.07 0.40 -1.29 0.00 0.00 177.43 177.08 1sac h ILE 169 N 0.00 0.99 -0.81 2.81 1.08 -0.76 -2.18 117.51 118.64 1sac h ILE 169 Ca -0.01 -0.64 0.14 0.00 -0.39 0.00 0.00 64.86 63.96 1sac h ILE 169 Cb 1.32 1.38 -0.09 0.00 -3.07 0.00 0.00 36.82 36.36 1sac h ILE 169 CO 0.07 0.15 0.39 -0.07 -0.69 0.00 0.00 178.15 178.00 1sac h LEU 170 N -0.51 0.45 -0.49 1.44 4.07 -1.33 -0.58 115.31 118.35 1sac h LEU 170 Ca -0.02 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 1sac h LEU 170 Cb 0.40 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1sac h LEU 170 CO 0.03 0.19 0.15 0.28 -1.08 0.00 0.00 178.44 178.01 1sac h SER 171 N 0.56 0.72 -0.33 -0.43 0.02 -1.13 0.14 113.55 113.10 1sac h SER 171 Ca 0.44 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1sac h SER 171 Cb 0.63 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1sac h SER 171 CO -0.37 0.74 0.22 0.00 -1.14 0.00 0.00 176.83 176.27 1sac h ALA 172 N 1.01 0.42 -0.89 3.77 0.00 -0.94 0.18 119.26 122.81 1sac h ALA 172 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1sac h ALA 172 Cb 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1sac h ALA 172 CO -0.00 -0.13 0.58 -0.92 0.00 0.00 0.00 179.25 178.78 1sac h TYR 173 N 0.44 1.09 0.00 0.00 3.20 -0.70 -2.22 116.97 118.78 1sac h TYR 173 Ca 0.12 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1sac h TYR 173 Cb -0.04 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 37.87 1sac h TYR 173 CO -0.06 0.64 -0.02 1.96 -1.64 0.00 0.00 178.16 179.04 1sac h GLN 174 N 1.14 0.00 0.00 1.82 4.20 -0.35 -3.47 115.11 118.45 1sac h GLN 174 Ca 0.35 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1sac h GLN 174 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1sac h GLN 174 CO -0.11 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.48 1sac n GLY 175 N 0.55 1.26 2.51 3.46 0.00 -0.39 -5.06 105.19 107.52 1sac n GLY 175 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.74 1.02 -2.97 2.61 -2.24 0.48 -4.98 114.28 107.46 1sac n THR 176 Ca 0.00 -4.61 -0.33 0.00 -2.27 0.00 0.00 64.05 56.83 1sac n THR 176 Cb 0.00 -2.03 -0.07 0.00 -2.10 0.00 0.00 70.33 66.14 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 -1.55 4.16 0.58 -0.78 0.04 -1.25 -4.04 135.00 132.16 1sac s PRO 177 Ca 0.34 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.11 1sac s PRO 177 Cb 0.08 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1sac s PRO 177 CO -0.10 0.10 1.23 -0.51 0.04 0.00 0.00 177.00 177.76 1sac s LEU 178 N -2.93 3.71 0.50 -3.56 1.02 -1.26 -4.94 118.68 111.21 1sac s LEU 178 Ca 0.57 2.46 -0.22 0.00 0.02 0.00 0.00 54.13 56.95 1sac s LEU 178 Cb -0.11 -4.53 -0.08 0.00 0.02 0.00 0.00 46.19 41.49 1sac s LEU 178 CO 0.16 -1.58 1.08 -2.65 0.02 0.00 0.00 176.35 173.38 1sac n PRO 179 N -1.46 1.35 -4.23 1.29 -0.02 -1.26 -4.99 135.00 125.68 1sac n PRO 179 Ca 0.13 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1sac n PRO 179 Cb 0.49 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.69 1sac n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sac s ALA 180 N -1.35 3.27 -0.29 3.55 0.00 -1.26 -5.03 121.76 120.65 1sac s ALA 180 Ca 0.68 -1.51 0.09 0.00 0.00 0.00 0.00 51.96 51.21 1sac s ALA 180 Cb -0.48 -0.96 -0.11 0.00 0.00 0.00 0.00 23.12 21.57 1sac s ALA 180 CO 0.53 0.33 0.32 0.27 0.00 0.00 0.00 175.76 177.21 1sac n ASN 181 N -0.72 1.21 -0.13 0.00 0.23 -1.21 -4.70 115.26 109.94 1sac n ASN 181 Ca -0.08 -0.48 -0.24 0.00 -0.53 0.00 0.00 54.58 53.25 1sac n ASN 181 Cb 0.58 1.13 -0.11 0.00 -2.08 0.00 0.00 39.78 39.30 1sac n ASN 181 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1sac n ILE 182 N -1.40 1.47 -3.71 1.53 5.41 -0.33 -4.98 119.36 117.35 1sac n ILE 182 Ca 0.01 -0.47 -0.13 0.00 1.00 0.00 0.00 62.75 63.16 1sac n ILE 182 Cb 0.17 -1.64 -0.13 0.00 -0.71 0.00 0.00 39.64 37.32 1sac n ILE 182 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1sac s LEU 183 N -6.99 0.28 -0.07 1.39 1.02 -0.87 -4.74 118.68 108.70 1sac s LEU 183 Ca -0.36 0.49 -0.00 0.00 0.02 0.00 0.00 54.13 54.28 1sac s LEU 183 Cb 0.12 0.64 0.02 0.00 0.02 0.00 0.00 46.19 46.99 1sac s LEU 183 CO 0.53 -0.18 -0.03 -0.62 0.02 0.00 0.00 176.35 176.06 1sac s ASP 184 N 1.56 1.45 0.59 2.29 -1.08 -1.26 0.52 116.67 120.73 1sac s ASP 184 Ca -0.06 -0.15 0.33 0.00 -0.52 0.00 0.00 52.55 52.16 1sac s ASP 184 Cb -0.11 -0.53 1.89 0.00 -1.46 0.00 0.00 42.92 42.71 1sac s ASP 184 CO -0.08 -0.12 2.24 -0.25 0.52 0.00 0.00 175.17 177.48 1sac h TRP 185 N 7.80 0.00 -0.02 -5.34 -0.00 -1.77 -1.31 115.95 115.31 1sac h TRP 185 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.60 1sac h TRP 185 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 1sac h TRP 185 CO 0.49 0.03 -0.20 1.04 -0.00 0.00 0.00 178.44 179.79 1sac n GLN 186 N -3.56 1.39 -2.80 2.65 6.02 -1.26 -1.17 117.38 118.66 1sac n GLN 186 Ca -0.03 -0.98 -0.10 0.00 -0.01 0.00 0.00 57.00 55.88 1sac n GLN 186 Cb 0.12 -1.48 0.07 0.00 1.02 0.00 0.00 30.24 29.98 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 0.05 0.24 -2.67 -1.58 0.00 -0.60 -3.64 120.51 112.32 1sac n ALA 187 Ca 0.14 -1.83 -0.38 0.00 0.00 0.00 0.00 53.44 51.37 1sac n ALA 187 Cb 0.42 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.51 4.43 -0.28 0.00 2.96 -0.62 -4.30 118.68 118.37 1sac s LEU 188 Ca 0.25 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.88 1sac s LEU 188 Cb 0.33 -2.36 0.04 0.00 0.50 0.00 0.00 46.19 44.70 1sac s LEU 188 CO -0.06 0.35 -0.02 0.21 -1.32 0.00 0.00 176.35 175.51 1sac s ASN 189 N -1.01 4.68 0.18 3.68 2.47 -1.26 -1.69 114.94 121.99 1sac s ASN 189 Ca 0.20 -1.13 -0.03 0.00 0.42 0.00 0.00 52.86 52.32 1sac s ASN 189 Cb -0.15 -1.69 -0.03 0.00 -1.45 0.00 0.00 41.25 37.93 1sac s ASN 189 CO 0.09 -0.21 0.15 -0.72 -3.72 0.00 0.00 177.10 172.69 1sac s TYR 190 N 1.28 0.92 -0.07 0.43 -0.85 -1.26 0.85 117.35 118.65 1sac s TYR 190 Ca -0.03 -1.22 -0.00 0.00 -0.52 0.00 0.00 57.07 55.30 1sac s TYR 190 Cb -0.19 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 41.76 1sac s TYR 190 CO -0.02 -0.63 -0.03 -1.21 -1.52 0.00 0.00 175.55 172.13 1sac s GLU 191 N -4.09 0.85 -0.17 -3.49 2.02 -0.51 -4.97 118.70 108.33 1sac s GLU 191 Ca 0.30 -0.04 -0.17 0.00 0.02 0.00 0.00 54.97 55.08 1sac s GLU 191 Cb 0.06 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 33.24 1sac s GLU 191 CO 0.07 -0.20 0.46 0.42 0.02 0.00 0.00 175.26 176.03 1sac s ILE 192 N 1.46 5.17 -0.09 -1.63 1.01 -1.26 -1.13 121.20 124.73 1sac s ILE 192 Ca -0.02 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.51 1sac s ILE 192 Cb -0.13 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1sac s ILE 192 CO -0.03 0.25 -0.15 -0.13 0.00 0.00 0.00 174.94 174.88 1sac s ARG 193 N 1.18 2.15 2.21 2.79 1.81 -0.20 -5.02 118.95 123.86 1sac s ARG 193 Ca 0.23 -0.55 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1sac s ARG 193 Cb -0.15 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.59 1sac s ARG 193 CO 0.09 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 1sac n GLY 194 N 3.93 -0.43 3.34 -3.53 0.00 -1.26 -0.87 105.19 106.37 1sac n GLY 194 Ca -0.20 -1.30 -0.46 0.00 0.00 0.00 0.00 46.02 44.05 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 3.46 -0.01 1.61 5.04 -1.26 -4.94 117.35 121.25 1sac s TYR 195 Ca 0.00 -1.61 0.00 0.00 -2.44 0.00 0.00 57.07 53.03 1sac s TYR 195 Cb 0.00 -3.88 0.01 0.00 0.35 0.00 0.00 41.96 38.44 1sac s TYR 195 CO 0.00 -1.08 -0.01 0.54 -1.34 0.00 0.00 175.55 173.66 1sac s VAL 196 N 1.12 0.13 0.02 3.14 0.11 -1.26 -4.33 120.40 119.32 1sac s VAL 196 Ca 0.14 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 1sac s VAL 196 Cb -0.17 -0.18 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1sac s VAL 196 CO -0.04 0.09 -0.23 -0.63 -3.33 0.00 0.00 175.10 170.96 1sac s ILE 197 N 0.49 1.82 -0.30 7.04 -1.09 -0.60 -4.93 121.20 123.63 1sac s ILE 197 Ca -0.05 -1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 57.11 1sac s ILE 197 Cb -0.07 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1sac s ILE 197 CO -0.01 0.37 0.23 -0.63 -1.23 0.00 0.00 174.94 173.67 1sac s ILE 198 N -0.68 5.28 0.16 2.92 1.01 -1.26 -0.26 121.20 128.36 1sac s ILE 198 Ca 0.09 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.90 1sac s ILE 198 Cb -0.09 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1sac s ILE 198 CO 0.01 0.15 -0.13 -0.54 0.00 0.00 0.00 174.94 174.43 1sac s LYS 199 N 1.80 1.14 0.53 2.79 -0.14 -0.84 -4.95 119.74 120.07 1sac s LYS 199 Ca 0.08 -1.44 -0.20 0.00 -1.36 0.00 0.00 55.97 53.05 1sac s LYS 199 Cb -0.16 -0.87 -0.06 0.00 -1.68 0.00 0.00 37.83 35.06 1sac s LYS 199 CO 0.11 0.14 1.16 -1.25 -0.76 0.00 0.00 175.35 174.74 1sac s PRO 200 N -3.41 3.39 -0.76 -1.68 0.04 -1.26 0.11 135.00 131.42 1sac s PRO 200 Ca 0.16 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 1sac s PRO 200 Cb -0.01 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1sac s PRO 200 CO 0.03 -0.84 1.54 -1.17 0.04 0.00 0.00 177.00 176.60 1sac s LEU 201 N -3.64 3.25 0.00 -3.56 1.98 0.98 -4.62 118.68 113.07 1sac s LEU 201 Ca 0.71 -0.41 0.21 0.00 -2.89 0.00 0.00 54.13 51.76 1sac s LEU 201 Cb -0.26 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 43.98 1sac s LEU 201 CO 0.30 -2.03 1.01 1.33 -1.89 0.00 0.00 176.35 175.07 1sac n VAL 202 N 6.84 0.00 -0.90 1.68 0.24 -1.26 -4.45 118.33 120.48 1sac n VAL 202 Ca 0.16 -0.23 0.08 0.00 -2.04 0.00 0.00 64.34 62.31 1sac n VAL 202 Cb 0.50 1.20 0.34 0.00 -1.47 0.00 0.00 33.84 34.41 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 -0.30 1.57 -0.55 6.34 4.27 -1.26 -5.27 117.44 122.23 1sac n TRP 203 Ca 0.08 -0.77 0.00 0.00 -3.89 0.00 0.00 57.50 52.92 1sac n TRP 203 Cb 0.42 -0.40 0.00 0.00 -1.36 0.00 0.00 31.31 29.97 1sac n TRP 203 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68