#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 3.10 -0.58 3.57 2.01 -0.44 -4.80 115.64 118.50 1sac s THR 2 Ca 0.00 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 1sac s THR 2 Cb 0.00 -2.29 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1sac s THR 2 CO 0.00 0.54 1.36 -0.62 -0.69 0.00 0.00 174.62 175.20 1sac s ASP 3 N 0.14 6.19 -0.09 3.53 -1.08 -1.25 -1.54 116.67 122.57 1sac s ASP 3 Ca -0.06 0.17 0.15 0.00 -0.52 0.00 0.00 52.55 52.29 1sac s ASP 3 Cb -0.15 -2.55 0.59 0.00 -1.46 0.00 0.00 42.92 39.35 1sac s ASP 3 CO 0.05 -1.68 1.46 0.18 0.52 0.00 0.00 175.17 175.70 1sac n LEU 4 N 9.34 3.93 -4.73 -1.34 4.32 0.05 -4.97 117.00 123.60 1sac n LEU 4 Ca 0.11 -1.98 -0.66 0.00 -0.02 0.00 0.00 56.01 53.46 1sac n LEU 4 Cb 0.49 -0.52 -0.09 0.00 -1.62 0.00 0.00 43.42 41.68 1sac n LEU 4 CO 0.71 0.68 1.15 -1.20 -1.22 0.00 0.00 177.39 177.51 1sac n SER 5 N 0.88 1.35 0.00 -1.43 7.64 -1.26 -0.53 113.62 120.28 1sac n SER 5 Ca 0.21 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.26 1sac n SER 5 Cb 0.74 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 3.92 0.82 3.67 0.23 0.00 -1.26 -5.02 105.19 107.56 1sac n GLY 6 Ca 0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 2.35 0.25 1.61 1.02 0.32 0.38 119.74 125.66 1sac s LYS 7 Ca 0.00 -1.43 0.04 0.00 0.02 0.00 0.00 55.97 54.60 1sac s LYS 7 Cb 0.00 -2.18 -0.05 0.00 -0.52 0.00 0.00 37.83 35.07 1sac s LYS 7 CO 0.00 0.31 -0.01 0.14 -0.92 0.00 0.00 175.35 174.87 1sac s VAL 8 N -2.34 1.19 -0.06 3.17 -7.23 0.28 -4.56 120.40 110.85 1sac s VAL 8 Ca 0.33 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1sac s VAL 8 Cb -0.06 -2.42 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1sac s VAL 8 CO 0.21 -0.28 0.33 -0.36 -0.31 0.00 0.00 175.10 174.69 1sac s PHE 9 N -3.31 3.64 -0.20 2.82 0.08 0.17 -1.60 117.98 119.58 1sac s PHE 9 Ca 0.30 0.82 -0.02 0.00 0.12 0.00 0.00 56.93 58.15 1sac s PHE 9 Cb 0.06 -2.24 0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1sac s PHE 9 CO 0.10 0.57 0.01 0.54 -0.10 0.00 0.00 175.22 176.34 1sac s VAL 10 N -0.70 0.76 -0.94 -0.44 0.11 0.04 -1.08 120.40 118.16 1sac s VAL 10 Ca 0.21 -0.72 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 1sac s VAL 10 Cb -0.15 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 1sac s VAL 10 CO 0.10 -0.19 1.59 -0.36 -3.33 0.00 0.00 175.10 172.91 1sac s PHE 11 N 1.75 2.27 -1.50 1.54 0.40 -0.47 -1.42 117.98 120.55 1sac s PHE 11 Ca -0.02 -0.29 0.25 0.00 -0.60 0.00 0.00 56.93 56.27 1sac s PHE 11 Cb -0.18 -4.49 1.30 0.00 0.51 0.00 0.00 43.02 40.17 1sac s PHE 11 CO -0.08 -1.92 1.85 -2.30 0.70 0.00 0.00 175.22 173.47 1sac n PRO 12 N 8.94 0.41 -3.61 0.24 -0.02 -1.26 -1.51 135.00 138.19 1sac n PRO 12 Ca 0.31 0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1sac n PRO 12 Cb 0.50 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 -2.50 1.29 0.12 -0.52 1.70 -1.26 -4.96 118.95 112.82 1sac s ARG 13 Ca 0.26 -0.69 -0.30 0.00 -0.47 0.00 0.00 55.73 54.52 1sac s ARG 13 Cb 0.17 0.54 -0.06 0.00 -0.57 0.00 0.00 34.95 35.02 1sac s ARG 13 CO 0.37 -0.55 0.98 -2.00 -1.08 0.00 0.00 175.30 173.03 1sac s GLU 14 N -3.82 4.68 0.31 3.89 2.12 -1.26 -4.79 118.70 119.84 1sac s GLU 14 Ca 0.05 1.50 -0.18 0.00 0.36 0.00 0.00 54.97 56.69 1sac s GLU 14 Cb -0.01 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 31.09 1sac s GLU 14 CO -0.08 0.20 0.89 -1.54 -0.54 0.00 0.00 175.26 174.18 1sac s SER 15 N -0.04 0.00 -0.12 -1.70 1.04 -1.26 -5.02 113.70 106.61 1sac s SER 15 Ca 0.47 -0.96 0.17 0.00 0.48 0.00 0.00 55.95 56.11 1sac s SER 15 Cb -0.24 0.72 0.26 0.00 0.10 0.00 0.00 66.02 66.86 1sac s SER 15 CO 0.31 -1.42 1.13 0.55 0.98 0.00 0.00 173.24 174.79 1sac n VAL 16 N -0.60 1.75 -0.01 5.02 3.14 -1.26 -4.47 118.33 121.91 1sac n VAL 16 Ca -0.06 -2.10 -0.01 0.00 -2.96 0.00 0.00 64.34 59.21 1sac n VAL 16 Cb 0.60 -0.17 -0.01 0.00 -1.06 0.00 0.00 33.84 33.20 1sac n VAL 16 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1sac n THR 17 N -1.33 0.08 -1.70 1.55 -2.24 -1.26 -4.84 114.28 104.53 1sac n THR 17 Ca 0.14 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1sac n THR 17 Cb 0.63 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1sac n THR 17 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sac s ASP 18 N -4.74 6.41 0.17 3.42 1.01 -1.26 -4.72 116.67 116.96 1sac s ASP 18 Ca -0.02 2.77 -0.25 0.00 0.71 0.00 0.00 52.55 55.77 1sac s ASP 18 Cb 0.01 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1sac s ASP 18 CO 0.03 -1.01 0.91 -1.38 0.21 0.00 0.00 175.17 173.93 1sac s HIS 19 N 2.75 -0.16 -0.12 4.23 -3.43 -0.01 -4.36 115.29 114.20 1sac s HIS 19 Ca 0.81 -0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.92 1sac s HIS 19 Cb -0.46 0.64 -0.01 0.00 -1.43 0.00 0.00 32.58 31.32 1sac s HIS 19 CO 0.37 -0.88 -0.17 0.08 -2.00 0.00 0.00 174.74 172.13 1sac s VAL 20 N -3.38 2.67 -0.11 -5.38 1.01 -0.72 -0.52 120.40 113.97 1sac s VAL 20 Ca 0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1sac s VAL 20 Cb -0.02 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1sac s VAL 20 CO 0.02 0.54 0.67 0.20 0.00 0.00 0.00 175.10 176.54 1sac s ASN 21 N 0.32 6.89 -0.19 3.32 0.01 -0.38 -1.31 114.94 123.59 1sac s ASN 21 Ca -0.13 1.07 -0.11 0.00 -0.71 0.00 0.00 52.86 52.97 1sac s ASN 21 Cb -0.17 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1sac s ASN 21 CO 0.07 -0.17 0.19 -0.76 -1.51 0.00 0.00 177.10 174.92 1sac s LEU 22 N 1.16 4.22 -0.24 0.60 1.02 0.82 -1.04 118.68 125.21 1sac s LEU 22 Ca 0.34 0.32 -0.05 0.00 0.02 0.00 0.00 54.13 54.76 1sac s LEU 22 Cb -0.17 -2.19 -0.01 0.00 0.02 0.00 0.00 46.19 43.84 1sac s LEU 22 CO 0.15 0.15 0.01 -0.63 0.02 0.00 0.00 176.35 176.04 1sac s ILE 23 N 0.43 3.71 -0.01 -0.59 -1.09 0.32 -4.12 121.20 119.84 1sac s ILE 23 Ca 0.11 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1sac s ILE 23 Cb -0.12 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1sac s ILE 23 CO 0.00 0.33 0.03 0.28 -1.23 0.00 0.00 174.94 174.35 1sac s THR 24 N 1.51 -0.00 -1.26 2.92 -1.32 -1.26 -4.58 115.64 111.65 1sac s THR 24 Ca 0.05 0.01 -0.07 0.00 -1.21 0.00 0.00 61.69 60.47 1sac s THR 24 Cb -0.15 -0.06 -0.02 0.00 -1.51 0.00 0.00 72.50 70.76 1sac s THR 24 CO -0.00 0.00 2.82 -0.81 -2.21 0.00 0.00 174.62 174.42 1sac n PRO 25 N 3.11 3.75 -2.66 7.08 -0.04 -1.26 -4.78 135.00 140.21 1sac n PRO 25 Ca -0.13 -2.54 -0.42 0.00 -0.04 0.00 0.00 63.50 60.38 1sac n PRO 25 Cb 0.59 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 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 -0.85 3.82 0.00 1.53 2.96 -1.26 -4.85 118.68 120.03 1sac s LEU 26 Ca 0.63 -1.31 0.17 0.00 -0.22 0.00 0.00 54.13 53.41 1sac s LEU 26 Cb 0.21 -2.52 0.22 0.00 0.50 0.00 0.00 46.19 44.61 1sac s LEU 26 CO -0.08 -1.49 1.14 -0.62 -1.32 0.00 0.00 176.35 173.98 1sac n GLU 27 N 8.42 1.76 -4.65 1.98 1.02 -1.26 0.47 120.64 128.38 1sac n GLU 27 Ca 0.21 -1.74 -0.22 0.00 -0.02 0.00 0.00 57.16 55.39 1sac n GLU 27 Cb 0.50 -1.35 -0.15 0.00 -0.02 0.00 0.00 31.44 30.41 1sac n GLU 27 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1sac s LYS 28 N -1.32 1.15 0.58 3.49 0.00 -1.26 -4.84 119.74 117.55 1sac s LYS 28 Ca 0.24 -0.52 -0.20 0.00 0.00 0.00 0.00 55.97 55.49 1sac s LYS 28 Cb 0.15 -1.12 -0.05 0.00 0.00 0.00 0.00 37.83 36.82 1sac s LYS 28 CO 0.22 0.31 1.11 -2.30 0.00 0.00 0.00 175.35 174.69 1sac n PRO 29 N 2.69 1.16 -2.93 1.78 -0.02 -1.26 -4.59 135.00 131.83 1sac n PRO 29 Ca -0.14 0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 61.37 1sac n PRO 29 Cb 0.55 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.59 4.40 -0.18 2.45 1.02 0.13 -4.91 118.68 118.99 1sac s LEU 30 Ca 0.75 1.44 0.09 0.00 0.02 0.00 0.00 54.13 56.43 1sac s LEU 30 Cb -0.42 -3.28 -0.17 0.00 0.02 0.00 0.00 46.19 42.33 1sac s LEU 30 CO 0.47 -0.08 -0.05 0.00 0.02 0.00 0.00 176.35 176.71 1sac n GLN 31 N 3.31 0.98 -4.10 1.70 6.02 -1.26 -1.78 117.38 122.25 1sac n GLN 31 Ca -0.00 0.05 -0.08 0.00 -0.01 0.00 0.00 57.00 56.96 1sac n GLN 31 Cb 0.51 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 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 -5.45 0.63 -0.10 1.08 0.01 -1.26 -0.68 114.94 109.17 1sac s ASN 32 Ca -0.17 -0.96 -0.30 0.00 -0.71 0.00 0.00 52.86 50.72 1sac s ASN 32 Cb 0.06 0.17 0.12 0.00 0.41 0.00 0.00 41.25 42.00 1sac s ASN 32 CO 0.59 -0.54 0.98 0.72 -1.51 0.00 0.00 177.10 177.34 1sac s PHE 33 N -3.64 -0.32 -0.02 2.20 -0.12 -0.88 -3.88 117.98 111.32 1sac s PHE 33 Ca 0.06 0.35 0.02 0.00 -0.05 0.00 0.00 56.93 57.31 1sac s PHE 33 Cb 0.06 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1sac s PHE 33 CO -0.08 -0.41 -0.08 0.99 -0.05 0.00 0.00 175.22 175.59 1sac s THR 34 N -2.22 0.69 -0.15 -4.49 2.01 -1.00 -1.26 115.64 109.22 1sac s THR 34 Ca 0.03 -0.31 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 1sac s THR 34 Cb -0.01 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1sac s THR 34 CO -0.04 0.22 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.82 1sac s LEU 35 N 0.25 1.52 0.03 4.42 2.96 0.33 -1.52 118.68 126.67 1sac s LEU 35 Ca -0.04 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1sac s LEU 35 Cb -0.08 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1sac s LEU 35 CO 0.00 -0.16 -0.25 0.00 -1.32 0.00 0.00 176.35 174.63 1sac s PHE 37 N -0.74 -0.25 0.03 0.00 -0.12 0.75 -1.11 117.98 116.53 1sac s PHE 37 Ca 0.10 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 1sac s PHE 37 Cb -0.10 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1sac s PHE 37 CO 0.01 -0.84 0.11 1.03 -0.05 0.00 0.00 175.22 175.49 1sac s ARG 38 N -3.43 3.12 -0.09 1.99 0.52 -0.12 -0.02 118.95 120.92 1sac s ARG 38 Ca 0.09 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 1sac s ARG 38 Cb -0.02 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.59 1sac s ARG 38 CO -0.02 0.62 0.27 0.00 0.02 0.00 0.00 175.30 176.19 1sac s ALA 39 N -1.32 -0.66 -0.20 2.13 0.00 0.08 -1.91 121.76 119.88 1sac s ALA 39 Ca 0.27 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.87 1sac s ALA 39 Cb -0.12 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.70 1sac s ALA 39 CO 0.19 -0.14 0.04 -0.47 0.00 0.00 0.00 175.76 175.38 1sac s TYR 40 N -0.09 1.01 0.01 0.00 5.04 -0.56 -0.81 117.35 121.95 1sac s TYR 40 Ca -0.02 -0.89 -0.04 0.00 -2.44 0.00 0.00 57.07 53.68 1sac s TYR 40 Cb -0.03 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.23 1sac s TYR 40 CO 0.01 -0.63 0.06 0.45 -1.34 0.00 0.00 175.55 174.10 1sac s SER 41 N 1.86 0.12 -0.10 4.32 0.15 -1.26 -1.59 113.70 117.20 1sac s SER 41 Ca 0.00 -0.34 0.14 0.00 0.70 0.00 0.00 55.95 56.46 1sac s SER 41 Cb -0.17 0.16 0.28 0.00 -1.71 0.00 0.00 66.02 64.57 1sac s SER 41 CO -0.10 -0.34 1.17 -0.90 1.20 0.00 0.00 173.24 174.28 1sac n ASP 42 N 1.52 2.59 -4.71 5.45 5.68 -1.26 -4.44 116.55 121.38 1sac n ASP 42 Ca -0.23 -2.79 -0.42 0.00 -0.50 0.00 0.00 54.79 50.84 1sac n ASP 42 Cb 0.55 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 40.15 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 -2.38 4.37 0.21 -2.12 1.02 -1.26 -4.92 118.68 113.59 1sac s LEU 43 Ca 0.27 2.44 0.21 0.00 0.02 0.00 0.00 54.13 57.07 1sac s LEU 43 Cb 0.23 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.87 1sac s LEU 43 CO 0.04 -0.76 1.09 0.28 0.02 0.00 0.00 176.35 177.02 1sac h SER 44 N 7.08 0.00 -4.54 2.29 0.02 -2.01 -3.48 113.55 112.91 1sac h SER 44 Ca -0.42 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.06 1sac h SER 44 Cb 1.20 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.85 1sac h SER 44 CO 0.90 0.15 0.39 0.00 -1.14 0.00 0.00 176.83 177.12 1sac s ARG 45 N -3.23 1.84 0.65 3.45 1.70 -1.26 -4.63 118.95 117.47 1sac s ARG 45 Ca 0.00 0.16 -0.14 0.00 -0.47 0.00 0.00 55.73 55.28 1sac s ARG 45 Cb 0.09 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.53 1sac s ARG 45 CO 0.78 -1.69 1.08 0.00 -1.08 0.00 0.00 175.30 174.39 1sac s ALA 46 N -3.51 2.56 -0.08 7.88 0.00 -1.25 -4.78 121.76 122.57 1sac s ALA 46 Ca 0.62 0.42 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1sac s ALA 46 Cb -0.12 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.83 1sac s ALA 46 CO 0.50 -1.16 0.81 1.52 0.00 0.00 0.00 175.76 177.43 1sac s TYR 47 N -2.51 -0.53 0.12 0.00 -0.85 -0.77 -4.54 117.35 108.28 1sac s TYR 47 Ca 0.64 0.86 -0.30 0.00 -0.52 0.00 0.00 57.07 57.75 1sac s TYR 47 Cb -0.18 0.44 -0.06 0.00 0.38 0.00 0.00 41.96 42.54 1sac s TYR 47 CO 0.43 -0.51 1.04 0.45 -1.52 0.00 0.00 175.55 175.43 1sac s SER 48 N -1.28 7.36 -0.25 -0.18 0.15 -0.82 -1.14 113.70 117.54 1sac s SER 48 Ca -0.06 1.92 0.05 0.00 0.70 0.00 0.00 55.95 58.56 1sac s SER 48 Cb -0.00 -2.59 -0.19 0.00 -1.71 0.00 0.00 66.02 61.53 1sac s SER 48 CO 0.05 -0.18 -0.16 0.18 1.20 0.00 0.00 173.24 174.33 1sac n LEU 49 N 2.82 2.34 -3.60 3.45 4.77 -0.15 -4.45 117.00 122.18 1sac n LEU 49 Ca 0.03 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 1sac n LEU 49 Cb 0.48 -0.61 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 1sac n LEU 49 CO 0.53 0.85 -0.10 0.12 -1.33 0.00 0.00 177.39 177.45 1sac s PHE 50 N -2.51 -0.54 -0.22 -1.77 5.36 -1.17 -4.70 117.98 112.43 1sac s PHE 50 Ca -0.30 0.98 -0.02 0.00 -0.96 0.00 0.00 56.93 56.63 1sac s PHE 50 Cb 0.08 0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1sac s PHE 50 CO 0.65 -0.46 -0.08 0.45 -1.46 0.00 0.00 175.22 174.31 1sac s SER 51 N 2.47 4.03 -0.36 6.13 0.15 -0.84 -1.70 113.70 123.58 1sac s SER 51 Ca 0.03 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1sac s SER 51 Cb -0.13 -1.66 0.11 0.00 -1.71 0.00 0.00 66.02 62.64 1sac s SER 51 CO -0.11 -0.05 0.14 -0.47 1.20 0.00 0.00 173.24 173.95 1sac s TYR 52 N 1.39 2.11 0.02 3.44 6.14 -0.46 -0.75 117.35 129.24 1sac s TYR 52 Ca 0.04 -2.17 0.04 0.00 0.64 0.00 0.00 57.07 55.61 1sac s TYR 52 Cb -0.15 -1.96 -0.03 0.00 0.42 0.00 0.00 41.96 40.24 1sac s TYR 52 CO -0.06 -0.85 -0.07 -0.80 0.64 0.00 0.00 175.55 174.41 1sac s ASN 53 N 1.05 4.58 0.42 4.32 -0.87 -0.65 -1.73 114.94 122.06 1sac s ASN 53 Ca 0.13 -0.18 0.07 0.00 -1.57 0.00 0.00 52.86 51.30 1sac s ASN 53 Cb -0.20 -1.04 -0.06 0.00 -0.02 0.00 0.00 41.25 39.93 1sac s ASN 53 CO -0.14 0.27 0.09 0.42 -2.57 0.00 0.00 177.10 175.17 1sac s THR 54 N -1.02 2.04 -0.05 1.60 -4.23 -0.99 -0.12 115.64 112.87 1sac s THR 54 Ca 0.18 -1.86 -0.31 0.00 -1.18 0.00 0.00 61.69 58.51 1sac s THR 54 Cb -0.11 -2.90 -0.09 0.00 1.34 0.00 0.00 72.50 70.73 1sac s THR 54 CO 0.08 0.00 1.99 1.67 -0.54 0.00 0.00 174.62 177.83 1sac n GLN 55 N -1.13 2.48 -0.99 3.99 7.27 -1.26 -1.07 117.38 126.67 1sac n GLN 55 Ca -0.04 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.91 1sac n GLN 55 Cb 0.66 -2.91 0.00 0.00 2.41 0.00 0.00 30.24 30.40 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 4.75 0.44 2.75 1.69 0.00 -1.26 -5.00 105.19 108.56 1sac n GLY 56 Ca 0.23 0.00 -0.29 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 -0.36 0.76 0.35 1.61 0.52 -0.23 -5.12 118.95 116.48 1sac s ARG 57 Ca 0.00 -0.73 -0.25 0.00 -0.52 0.00 0.00 55.73 54.22 1sac s ARG 57 Cb 0.00 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.30 1sac s ARG 57 CO 0.00 -0.78 0.99 0.34 0.02 0.00 0.00 175.30 175.86 1sac s ASP 58 N 1.73 7.13 -1.22 0.23 2.15 -1.26 -2.34 116.67 123.09 1sac s ASP 58 Ca 0.03 1.93 -0.01 0.00 0.43 0.00 0.00 52.55 54.93 1sac s ASP 58 Cb -0.17 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 1sac s ASP 58 CO -0.16 -0.22 1.01 0.59 -0.17 0.00 0.00 175.17 176.22 1sac n ASN 59 N 0.35 -2.44 0.02 -0.34 3.02 -1.26 -4.44 115.26 110.17 1sac n ASN 59 Ca 0.03 -0.62 -0.16 0.00 -0.03 0.00 0.00 54.58 53.80 1sac n ASN 59 Cb 0.50 -5.08 -0.06 0.00 -0.61 0.00 0.00 39.78 34.53 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 -1.98 0.66 -1.16 3.52 4.57 -1.68 -0.89 114.58 117.62 1sac h GLU 60 Ca -0.59 -0.59 -0.01 0.00 -1.18 0.00 0.00 59.36 56.99 1sac h GLU 60 Cb 1.34 0.14 -0.23 0.00 -0.16 0.00 0.00 28.75 29.85 1sac h GLU 60 CO 0.51 1.20 -0.40 -1.17 -1.18 0.00 0.00 179.01 177.97 1sac s LEU 61 N -8.18 -1.42 -0.05 1.64 2.96 -0.70 -1.44 118.68 111.49 1sac s LEU 61 Ca -0.09 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1sac s LEU 61 Cb 0.09 1.85 0.02 0.00 0.50 0.00 0.00 46.19 48.64 1sac s LEU 61 CO 0.89 -0.31 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.34 1sac s LEU 62 N 2.77 1.40 -0.33 -0.68 2.96 -0.88 -1.35 118.68 122.57 1sac s LEU 62 Ca 0.11 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1sac s LEU 62 Cb -0.11 -0.51 0.03 0.00 0.50 0.00 0.00 46.19 46.10 1sac s LEU 62 CO -0.26 -0.04 0.10 -0.69 -1.32 0.00 0.00 176.35 174.15 1sac s VAL 63 N 0.84 3.85 -0.03 1.68 1.01 -0.69 -0.71 120.40 126.36 1sac s VAL 63 Ca -0.12 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 60.90 1sac s VAL 63 Cb -0.15 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1sac s VAL 63 CO 0.01 -0.12 -0.21 -0.47 0.00 0.00 0.00 175.10 174.31 1sac s TYR 64 N 1.43 1.93 -0.38 5.22 5.04 -0.34 -0.98 117.35 129.28 1sac s TYR 64 Ca -0.00 -0.42 -0.12 0.00 -2.44 0.00 0.00 57.07 54.09 1sac s TYR 64 Cb -0.19 -1.25 0.02 0.00 0.35 0.00 0.00 41.96 40.89 1sac s TYR 64 CO 0.03 -0.08 0.23 0.21 -1.34 0.00 0.00 175.55 174.60 1sac s LYS 65 N -0.37 2.93 0.06 4.97 2.20 -0.29 -0.29 119.74 128.95 1sac s LYS 65 Ca 0.05 -1.02 -0.18 0.00 -0.36 0.00 0.00 55.97 54.47 1sac s LYS 65 Cb -0.09 -3.78 -0.14 0.00 -1.51 0.00 0.00 37.83 32.30 1sac s LYS 65 CO 0.00 -0.68 1.31 0.93 -0.36 0.00 0.00 175.35 176.55 1sac h GLU 66 N 8.48 0.53 -1.83 4.03 4.39 -1.59 -2.04 114.58 126.54 1sac h GLU 66 Ca -0.27 -0.34 0.31 0.00 0.34 0.00 0.00 59.36 59.40 1sac h GLU 66 Cb 1.11 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.72 1sac h GLU 66 CO 0.68 0.95 0.83 -0.98 -1.16 0.00 0.00 179.01 179.33 1sac s ARG 67 N -4.02 0.50 0.19 2.33 1.70 -1.24 -3.88 118.95 114.53 1sac s ARG 67 Ca -0.13 -0.30 -0.33 0.00 -0.47 0.00 0.00 55.73 54.50 1sac s ARG 67 Cb 0.06 0.15 -0.14 0.00 -0.57 0.00 0.00 34.95 34.45 1sac s ARG 67 CO 0.81 -0.23 1.36 0.28 -1.08 0.00 0.00 175.30 176.44 1sac n VAL 68 N -0.67 0.67 -1.08 4.99 0.31 -1.26 -2.23 118.33 119.07 1sac n VAL 68 Ca -0.03 -0.17 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 1sac n VAL 68 Cb 0.61 -1.24 -0.01 0.00 -0.91 0.00 0.00 33.84 32.28 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 2.37 0.59 2.86 2.92 0.00 -1.26 -5.00 105.19 107.67 1sac n GLY 69 Ca 0.14 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1sac n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sac s GLU 70 N -1.57 0.17 -0.02 1.61 2.02 -0.94 -1.18 118.70 118.78 1sac s GLU 70 Ca 0.00 0.47 0.07 0.00 0.02 0.00 0.00 54.97 55.53 1sac s GLU 70 Cb 0.00 -0.62 -0.02 0.00 0.10 0.00 0.00 34.13 33.59 1sac s GLU 70 CO 0.00 -0.48 -0.23 0.71 0.02 0.00 0.00 175.26 175.28 1sac s TYR 71 N 2.37 2.42 0.12 1.61 1.51 -0.83 -1.55 117.35 123.01 1sac s TYR 71 Ca 0.05 -0.37 0.10 0.00 -1.01 0.00 0.00 57.07 55.84 1sac s TYR 71 Cb -0.14 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1sac s TYR 71 CO -0.10 0.04 -0.23 -1.12 -1.11 0.00 0.00 175.55 173.02 1sac s SER 72 N -0.74 2.92 -0.07 2.29 0.01 0.60 -1.59 113.70 117.13 1sac s SER 72 Ca 0.11 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.64 1sac s SER 72 Cb -0.10 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.97 1sac s SER 72 CO -0.00 0.11 -0.06 -0.22 0.41 0.00 0.00 173.24 173.48 1sac s LEU 73 N -2.07 1.21 -0.20 2.44 2.96 0.10 -1.19 118.68 121.92 1sac s LEU 73 Ca 0.11 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.76 1sac s LEU 73 Cb -0.10 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.96 1sac s LEU 73 CO 0.05 -0.08 0.06 -0.31 -1.32 0.00 0.00 176.35 174.76 1sac s TYR 74 N 1.25 3.19 -0.28 5.38 1.51 0.11 -1.93 117.35 126.57 1sac s TYR 74 Ca -0.05 -0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1sac s TYR 74 Cb -0.14 -2.13 0.09 0.00 -0.11 0.00 0.00 41.96 39.67 1sac s TYR 74 CO -0.02 -0.01 0.05 0.42 -1.11 0.00 0.00 175.55 174.88 1sac s ILE 75 N 0.77 1.15 -1.01 2.71 -1.09 -0.22 -2.07 121.20 121.44 1sac s ILE 75 Ca 0.03 -1.38 -0.03 0.00 -2.23 0.00 0.00 60.65 57.04 1sac s ILE 75 Cb -0.13 -1.75 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1sac s ILE 75 CO 0.02 -0.48 0.44 0.61 -1.23 0.00 0.00 174.94 174.30 1sac n GLY 76 N 4.76 -0.10 2.29 6.18 0.00 -0.52 -1.82 105.19 115.97 1sac n GLY 76 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.96 0.00 -3.26 1.61 1.74 -0.34 -4.98 116.66 108.46 1sac n ARG 77 Ca -0.07 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.63 1sac n ARG 77 Cb 0.58 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 -3.12 3.78 0.10 -1.55 3.76 -0.76 -5.06 115.29 112.44 1sac s HIS 78 Ca 0.00 1.27 0.10 0.00 -0.15 0.00 0.00 55.06 56.28 1sac s HIS 78 Cb 0.00 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1sac s HIS 78 CO 0.00 0.55 -0.24 0.21 -0.85 0.00 0.00 174.74 174.42 1sac s LYS 79 N -1.26 1.65 0.01 1.40 2.20 -1.26 -1.05 119.74 121.43 1sac s LYS 79 Ca 0.31 -1.22 -0.04 0.00 -0.36 0.00 0.00 55.97 54.67 1sac s LYS 79 Cb -0.19 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.12 1sac s LYS 79 CO 0.19 0.48 0.05 0.08 -0.36 0.00 0.00 175.35 175.80 1sac s VAL 80 N -1.01 0.09 -0.05 4.02 1.01 -0.81 -5.00 120.40 118.65 1sac s VAL 80 Ca 0.14 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1sac s VAL 80 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1sac s VAL 80 CO 0.06 -0.43 0.14 -0.89 0.00 0.00 0.00 175.10 173.98 1sac s THR 81 N -1.39 -0.00 0.03 3.92 2.01 -1.26 -0.72 115.64 118.22 1sac s THR 81 Ca -0.15 0.02 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1sac s THR 81 Cb -0.09 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1sac s THR 81 CO 0.00 0.01 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.37 1sac s SER 82 N 0.18 1.48 0.23 3.53 0.01 -0.62 -5.01 113.70 113.49 1sac s SER 82 Ca -0.01 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 56.90 1sac s SER 82 Cb -0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1sac s SER 82 CO -0.00 0.02 0.18 -0.54 0.41 0.00 0.00 173.24 173.31 1sac s LYS 83 N -1.01 2.92 -0.06 12.44 1.02 -1.26 -1.97 119.74 131.83 1sac s LYS 83 Ca 0.01 -1.00 -0.20 0.00 0.02 0.00 0.00 55.97 54.79 1sac s LYS 83 Cb -0.07 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1sac s LYS 83 CO 0.01 0.42 0.46 0.54 -0.92 0.00 0.00 175.35 175.87 1sac s VAL 84 N -2.03 0.03 0.01 3.17 0.11 -0.33 -4.77 120.40 116.60 1sac s VAL 84 Ca 0.32 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.83 1sac s VAL 84 Cb -0.08 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 33.96 1sac s VAL 84 CO 0.25 -0.13 1.34 -0.63 -3.33 0.00 0.00 175.10 172.59 1sac s ILE 85 N -1.00 3.80 0.07 7.04 1.01 -1.26 -4.37 121.20 126.48 1sac s ILE 85 Ca -0.10 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 61.62 1sac s ILE 85 Cb -0.03 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.68 1sac s ILE 85 CO 0.05 0.02 0.29 -1.83 0.00 0.00 0.00 174.94 173.48 1sac s GLU 86 N 2.05 0.86 0.50 2.79 -1.05 -1.26 -5.04 118.70 117.55 1sac s GLU 86 Ca 0.62 -0.65 -0.08 0.00 -0.15 0.00 0.00 54.97 54.71 1sac s GLU 86 Cb -0.31 0.37 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 1sac s GLU 86 CO 0.26 -0.29 0.85 0.15 0.95 0.00 0.00 175.26 177.19 1sac s LYS 87 N -3.06 3.62 -0.11 -4.83 1.02 -1.26 -4.84 119.74 110.28 1sac s LYS 87 Ca -0.01 0.43 -0.06 0.00 0.02 0.00 0.00 55.97 56.34 1sac s LYS 87 Cb 0.01 -2.29 0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1sac s LYS 87 CO -0.07 -0.26 0.25 0.12 -0.92 0.00 0.00 175.35 174.47 1sac s PHE 88 N -2.77 -0.33 0.42 3.18 5.36 -1.26 -4.06 117.98 118.52 1sac s PHE 88 Ca 0.51 0.79 -0.08 0.00 -0.96 0.00 0.00 56.93 57.19 1sac s PHE 88 Cb -0.10 0.06 -0.05 0.00 -0.34 0.00 0.00 43.02 42.58 1sac s PHE 88 CO 0.44 -0.22 0.75 -1.25 -1.46 0.00 0.00 175.22 173.47 1sac s PRO 89 N 1.13 3.68 -0.03 10.12 0.04 -1.26 -5.19 135.00 143.49 1sac s PRO 89 Ca -0.08 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 60.98 1sac s PRO 89 Cb -0.09 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.13 1sac s PRO 89 CO -0.08 -0.06 0.83 0.00 0.04 0.00 0.00 177.00 177.74 1sac s ALA 90 N -2.46 -1.81 0.51 8.56 0.00 -1.26 -5.10 121.76 120.21 1sac s ALA 90 Ca 0.49 1.13 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 1sac s ALA 90 Cb -0.10 0.14 -0.06 0.00 0.00 0.00 0.00 23.12 23.09 1sac s ALA 90 CO 0.36 -0.55 1.16 -2.14 0.00 0.00 0.00 175.76 174.59 1sac s PRO 91 N -2.38 3.51 -0.00 0.00 0.02 -1.26 -4.59 135.00 130.30 1sac s PRO 91 Ca -0.00 1.74 0.01 0.00 0.02 0.00 0.00 61.00 62.77 1sac s PRO 91 Cb -0.01 -2.21 -0.00 0.00 0.02 0.00 0.00 34.50 32.30 1sac s PRO 91 CO -0.04 -0.75 -0.05 0.54 -0.33 0.00 0.00 177.00 176.38 1sac s VAL 92 N -1.62 0.36 -0.21 3.83 0.11 0.01 -4.99 120.40 117.88 1sac s VAL 92 Ca 0.69 -0.25 -0.07 0.00 -2.93 0.00 0.00 61.98 59.41 1sac s VAL 92 Cb -0.28 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1sac s VAL 92 CO 0.32 0.06 0.05 -2.28 -3.33 0.00 0.00 175.10 169.93 1sac s HIS 93 N -0.20 3.15 0.07 1.54 2.46 -1.26 -0.74 115.29 120.30 1sac s HIS 93 Ca 0.01 -0.18 0.07 0.00 0.47 0.00 0.00 55.06 55.43 1sac s HIS 93 Cb -0.02 -2.13 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 1sac s HIS 93 CO -0.00 -0.09 -0.20 0.42 -2.47 0.00 0.00 174.74 172.40 1sac s ILE 94 N 0.91 1.59 -0.13 0.89 1.01 0.97 -0.46 121.20 125.97 1sac s ILE 94 Ca 0.03 -1.31 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 1sac s ILE 94 Cb -0.14 -1.42 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1sac s ILE 94 CO 0.03 0.06 0.31 0.00 0.00 0.00 0.00 174.94 175.34 1sac s VAL 96 N 1.51 0.23 0.06 0.00 0.11 -0.29 0.68 120.40 122.70 1sac s VAL 96 Ca -0.08 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.11 1sac s VAL 96 Cb -0.10 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 1sac s VAL 96 CO -0.10 0.16 -0.23 -0.94 -3.33 0.00 0.00 175.10 170.65 1sac s SER 97 N 1.01 2.81 0.04 3.54 1.04 -0.78 -0.51 113.70 120.84 1sac s SER 97 Ca -0.10 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.76 1sac s SER 97 Cb -0.14 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 1sac s SER 97 CO -0.01 0.18 -0.08 0.86 0.98 0.00 0.00 173.24 175.17 1sac s TRP 98 N -0.89 0.66 -0.13 5.02 -0.00 -0.39 -1.31 118.94 121.90 1sac s TRP 98 Ca 0.10 -0.47 -0.02 0.00 -0.00 0.00 0.00 56.10 55.70 1sac s TRP 98 Cb -0.09 -0.40 0.04 0.00 -0.00 0.00 0.00 33.47 33.02 1sac s TRP 98 CO 0.03 -0.08 0.01 -2.00 -0.00 0.00 0.00 176.95 174.90 1sac s GLU 99 N -1.49 0.75 0.11 5.86 2.12 -1.01 -2.07 118.70 122.97 1sac s GLU 99 Ca -0.09 -0.18 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 1sac s GLU 99 Cb -0.10 -1.57 -0.08 0.00 0.26 0.00 0.00 34.13 32.64 1sac s GLU 99 CO 0.00 -0.45 1.75 1.03 -0.54 0.00 0.00 175.26 177.06 1sac h SER 100 N 8.27 0.09 -0.92 -1.70 0.87 -1.17 0.67 113.55 119.65 1sac h SER 100 Ca -0.19 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1sac h SER 100 Cb 1.12 -0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 63.00 1sac h SER 100 CO 0.31 0.07 0.59 0.77 -0.53 0.00 0.00 176.83 178.04 1sac h SER 101 N 0.14 0.71 0.00 6.23 4.64 -1.90 -0.79 113.55 122.58 1sac h SER 101 Ca 0.06 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1sac h SER 101 Cb 0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1sac h SER 101 CO -0.04 0.36 -1.95 -1.54 -0.87 0.00 0.00 176.83 172.78 1sac n SER 102 N -4.58 1.17 0.00 4.97 3.41 -1.17 -4.75 113.62 112.67 1sac n SER 102 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1sac n SER 102 Cb 0.45 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 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 1.86 0.75 3.67 5.00 0.00 0.23 -4.74 105.19 111.96 1sac n GLY 103 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.05 4.10 -0.20 -0.61 -1.09 -1.17 -1.86 121.20 117.32 1sac s ILE 104 Ca 0.00 1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 59.69 1sac s ILE 104 Cb 0.00 -3.90 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1sac s ILE 104 CO 0.00 -0.06 0.24 0.00 -1.23 0.00 0.00 174.94 173.88 1sac s ALA 105 N 2.97 3.61 -0.13 9.38 0.00 -0.26 -2.41 121.76 134.92 1sac s ALA 105 Ca 0.58 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1sac s ALA 105 Cb -0.25 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.51 1sac s ALA 105 CO 0.20 -0.04 -0.21 -1.83 0.00 0.00 0.00 175.76 173.89 1sac s GLU 106 N 0.76 2.82 -0.11 0.00 -1.05 -0.43 -2.57 118.70 118.12 1sac s GLU 106 Ca 0.13 -0.78 -0.20 0.00 -0.15 0.00 0.00 54.97 53.96 1sac s GLU 106 Cb -0.13 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 1sac s GLU 106 CO 0.03 0.00 0.56 -0.06 0.95 0.00 0.00 175.26 176.74 1sac s PHE 107 N 0.79 3.52 -0.15 4.83 0.08 -1.26 -1.87 117.98 123.91 1sac s PHE 107 Ca -0.09 1.00 0.00 0.00 0.12 0.00 0.00 56.93 57.97 1sac s PHE 107 Cb -0.16 -2.65 -0.00 0.00 -0.57 0.00 0.00 43.02 39.64 1sac s PHE 107 CO -0.00 0.11 -0.15 -1.58 -0.10 0.00 0.00 175.22 173.50 1sac s TRP 108 N 0.79 2.78 -0.27 0.36 0.52 0.22 0.11 118.94 123.45 1sac s TRP 108 Ca 0.30 -1.01 -0.06 0.00 0.02 0.00 0.00 56.10 55.35 1sac s TRP 108 Cb -0.16 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.28 1sac s TRP 108 CO 0.13 -0.45 0.05 0.42 0.02 0.00 0.00 176.95 177.11 1sac s ILE 109 N 0.79 3.81 -1.59 2.03 -1.09 0.05 -1.68 121.20 123.51 1sac s ILE 109 Ca -0.06 -0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 57.61 1sac s ILE 109 Cb -0.15 -2.91 0.10 0.00 -1.58 0.00 0.00 42.46 37.92 1sac s ILE 109 CO 0.00 0.18 0.71 0.59 -1.23 0.00 0.00 174.94 175.19 1sac n ASN 110 N 4.84 -2.68 0.00 3.58 3.02 0.39 -0.93 115.26 123.47 1sac n ASN 110 Ca -0.15 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1sac n ASN 110 Cb 0.49 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 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 -1.61 1.21 3.60 7.41 0.00 -1.26 -5.02 105.19 109.51 1sac n GLY 111 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.75 5.23 0.14 2.61 2.01 -0.11 -4.97 115.64 117.81 1sac s THR 112 Ca 0.00 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.11 1sac s THR 112 Cb 0.00 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 1sac s THR 112 CO 0.00 0.20 1.26 -2.16 -0.69 0.00 0.00 174.62 173.22 1sac s PRO 113 N 1.93 4.42 0.84 4.92 0.04 -1.26 -0.77 135.00 145.13 1sac s PRO 113 Ca 0.12 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 1sac s PRO 113 Cb -0.16 -3.26 0.13 0.00 0.04 0.00 0.00 34.50 31.25 1sac s PRO 113 CO 0.10 -0.23 1.19 -0.51 0.04 0.00 0.00 177.00 177.59 1sac s LEU 114 N 0.36 2.69 0.16 -3.56 1.43 0.12 -4.94 118.68 114.94 1sac s LEU 114 Ca 0.57 0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 53.76 1sac s LEU 114 Cb -0.33 -2.72 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 1sac s LEU 114 CO 0.34 -2.19 1.62 -0.69 0.23 0.00 0.00 176.35 175.66 1sac s VAL 115 N -3.60 2.54 0.48 -1.59 1.01 -1.26 -4.72 120.40 113.26 1sac s VAL 115 Ca 0.67 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 1sac s VAL 115 Cb -0.07 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1sac s VAL 115 CO 0.49 0.02 1.42 -0.54 0.00 0.00 0.00 175.10 176.50 1sac s LYS 116 N 1.36 3.53 0.29 2.72 1.02 -1.26 -4.81 119.74 122.58 1sac s LYS 116 Ca 0.72 2.40 0.04 0.00 0.02 0.00 0.00 55.97 59.14 1sac s LYS 116 Cb -0.45 -2.55 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1sac s LYS 116 CO 0.32 -0.94 0.03 0.15 -0.92 0.00 0.00 175.35 173.99 1sac s LYS 117 N -2.58 1.56 -0.02 1.68 -0.14 -1.06 -5.01 119.74 114.18 1sac s LYS 117 Ca 0.64 -1.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.44 1sac s LYS 117 Cb -0.43 -0.84 -0.00 0.00 -1.68 0.00 0.00 37.83 34.87 1sac s LYS 117 CO 0.55 -0.13 -0.10 0.20 -0.76 0.00 0.00 175.35 175.11 1sac s GLY 118 N -3.43 0.52 -0.10 -3.33 0.00 -1.26 -1.10 107.32 98.62 1sac s GLY 118 Ca 0.34 -0.39 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 1sac s GLY 118 CO 0.13 -0.23 0.47 0.48 0.00 0.00 0.00 173.10 173.95 1sac s LEU 119 N -0.02 0.21 -1.43 0.66 2.34 -0.78 -4.99 118.68 114.66 1sac s LEU 119 Ca 0.00 0.64 -0.10 0.00 0.06 0.00 0.00 54.13 54.74 1sac s LEU 119 Cb -0.06 1.71 0.05 0.00 -0.56 0.00 0.00 46.19 47.33 1sac s LEU 119 CO 0.00 -0.34 0.99 0.54 -1.06 0.00 0.00 176.35 176.48 1sac n ARG 120 N 1.95 -6.12 -1.70 1.48 5.12 -1.26 -4.51 116.66 111.62 1sac n ARG 120 Ca -0.17 0.67 -0.54 0.00 -1.93 0.00 0.00 57.85 55.89 1sac n ARG 120 Cb 0.56 -5.56 -0.06 0.00 -1.16 0.00 0.00 32.46 26.24 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 -4.67 1.61 0.00 5.56 7.27 -1.26 -2.15 117.38 123.73 1sac n GLN 121 Ca -0.04 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1sac n GLN 121 Cb 0.57 -2.34 0.00 0.00 2.41 0.00 0.00 30.24 30.87 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 4.31 1.73 3.79 1.69 0.00 -0.33 -4.98 105.19 111.40 1sac n GLY 122 Ca 0.25 0.00 -0.36 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 -2.35 3.51 -0.13 1.61 5.04 -0.92 -5.01 117.35 119.10 1sac s TYR 123 Ca 0.00 1.71 0.01 0.00 -2.44 0.00 0.00 57.07 56.35 1sac s TYR 123 Cb 0.00 -2.92 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 1sac s TYR 123 CO 0.00 0.01 -0.17 -0.06 -1.34 0.00 0.00 175.55 173.99 1sac s PHE 124 N -1.82 2.73 -0.20 4.97 0.08 -1.26 -4.68 117.98 117.80 1sac s PHE 124 Ca 0.55 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 1sac s PHE 124 Cb -0.16 -1.82 -0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1sac s PHE 124 CO 0.20 -0.36 1.15 0.54 -0.10 0.00 0.00 175.22 176.66 1sac s VAL 125 N 0.49 4.48 0.61 -0.44 0.11 -0.73 -4.83 120.40 120.10 1sac s VAL 125 Ca -0.12 1.79 -0.18 0.00 -2.93 0.00 0.00 61.98 60.54 1sac s VAL 125 Cb -0.16 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 1sac s VAL 125 CO 0.05 -0.16 1.04 -0.62 -3.33 0.00 0.00 175.10 172.08 1sac n GLU 126 N 6.48 0.95 -1.64 1.54 -0.58 -1.26 0.17 120.64 126.30 1sac n GLU 126 Ca 0.13 0.37 -0.20 0.00 -0.42 0.00 0.00 57.16 57.04 1sac n GLU 126 Cb 0.45 -2.26 0.13 0.00 -0.57 0.00 0.00 31.44 29.20 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 -1.78 -0.72 -3.71 0.62 0.00 -1.26 -4.67 120.51 108.98 1sac n ALA 127 Ca 0.14 -1.36 -0.29 0.00 0.00 0.00 0.00 53.44 51.94 1sac n ALA 127 Cb 0.47 0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.88 -1.11 -2.39 0.00 6.02 0.18 -4.82 117.38 112.38 1sac n GLN 128 Ca 0.12 0.59 -0.28 0.00 -0.01 0.00 0.00 57.00 57.43 1sac n GLN 128 Cb 0.44 -3.50 0.02 0.00 1.02 0.00 0.00 30.24 28.22 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 -5.62 3.20 -0.22 -1.09 0.04 -1.26 -4.61 135.00 125.44 1sac s PRO 129 Ca 0.29 0.17 -0.07 0.00 0.04 0.00 0.00 61.00 61.43 1sac s PRO 129 Cb -0.12 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 1sac s PRO 129 CO 0.88 -0.54 0.07 0.15 0.04 0.00 0.00 177.00 177.60 1sac s LYS 130 N -4.95 3.78 -0.24 4.56 1.02 0.83 -4.87 119.74 119.87 1sac s LYS 130 Ca 0.52 -0.43 -0.05 0.00 0.02 0.00 0.00 55.97 56.04 1sac s LYS 130 Cb -0.11 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1sac s LYS 130 CO 0.46 0.00 -0.01 0.42 -0.92 0.00 0.00 175.35 175.30 1sac s ILE 131 N 1.11 3.56 0.04 2.17 1.01 -1.26 -1.64 121.20 126.18 1sac s ILE 131 Ca 0.04 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.23 1sac s ILE 131 Cb -0.14 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1sac s ILE 131 CO 0.03 0.34 -0.17 0.68 0.00 0.00 0.00 174.94 175.82 1sac s VAL 132 N 1.49 1.37 -0.12 2.92 -7.23 0.07 -0.13 120.40 118.77 1sac s VAL 132 Ca 0.05 -1.08 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1sac s VAL 132 Cb -0.15 -1.21 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 1sac s VAL 132 CO -0.02 0.11 -0.01 -0.76 -0.31 0.00 0.00 175.10 174.11 1sac s LEU 133 N -1.13 3.44 0.00 1.32 1.02 -0.42 -1.99 118.68 120.92 1sac s LEU 133 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1sac s LEU 133 Cb -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.32 1sac s LEU 133 CO 0.01 0.27 0.00 0.61 0.02 0.00 0.00 176.35 177.26 1sac n GLY 134 N 2.88 2.46 3.30 -3.19 0.00 -1.26 -1.75 105.19 107.63 1sac n GLY 134 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.13 1.31 -0.23 1.61 -1.52 -1.26 -1.38 119.66 118.06 1sac s GLN 135 Ca 0.00 -1.68 -0.06 0.00 -1.95 0.00 0.00 55.36 51.67 1sac s GLN 135 Cb 0.00 -0.39 -0.03 0.00 -0.22 0.00 0.00 33.01 32.38 1sac s GLN 135 CO 0.00 -0.19 0.03 -2.00 -0.25 0.00 0.00 175.29 172.89 1sac s GLU 136 N -3.94 3.62 0.10 2.91 -6.30 -1.26 -4.65 118.70 109.17 1sac s GLU 136 Ca 0.31 -0.50 -0.25 0.00 -2.50 0.00 0.00 54.97 52.03 1sac s GLU 136 Cb 0.07 -3.20 -0.07 0.00 0.00 0.00 0.00 34.13 30.93 1sac s GLU 136 CO 0.09 -0.11 0.76 -0.65 0.02 0.00 0.00 175.26 175.37 1sac s GLN 137 N 1.35 4.51 -0.00 4.30 -0.21 -1.26 -3.87 119.66 124.47 1sac s GLN 137 Ca 0.05 1.08 0.08 0.00 0.02 0.00 0.00 55.36 56.59 1sac s GLN 137 Cb -0.15 -3.31 -0.10 0.00 1.00 0.00 0.00 33.01 30.45 1sac s GLN 137 CO 0.02 0.43 0.31 -0.25 -2.12 0.00 0.00 175.29 173.68 1sac n ASP 138 N 2.24 1.06 -4.26 5.90 8.00 -0.64 -4.68 116.55 124.16 1sac n ASP 138 Ca -0.04 -0.52 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 1sac n ASP 138 Cb 0.50 1.10 -0.10 0.00 -0.02 0.00 0.00 41.12 42.59 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 -2.09 1.56 -0.83 -2.24 1.04 -1.03 -4.76 113.70 105.35 1sac s SER 139 Ca 0.02 -1.12 -0.26 0.00 0.48 0.00 0.00 55.95 55.07 1sac s SER 139 Cb 0.06 0.05 -0.13 0.00 0.10 0.00 0.00 66.02 66.10 1sac s SER 139 CO 0.34 -0.47 2.31 -0.47 0.98 0.00 0.00 173.24 175.94 1sac s TYR 140 N -3.48 1.26 0.00 5.02 5.04 -1.26 -3.03 117.35 120.89 1sac s TYR 140 Ca 0.22 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.62 1sac s TYR 140 Cb 0.05 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.82 1sac s TYR 140 CO 0.03 -1.55 0.00 0.41 -1.34 0.00 0.00 175.55 173.11 1sac n GLY 141 N 6.78 0.46 0.00 8.97 0.00 -1.26 -5.02 105.19 115.12 1sac n GLY 141 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.00 4.15 3.52 -0.02 0.00 -1.17 -4.99 105.19 104.68 1sac n GLY 142 Ca 0.00 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.84 -1.53 1.61 5.02 -1.26 -1.62 118.16 116.54 1sac n LYS 143 Ca 0.00 0.71 -0.31 0.00 -2.02 0.00 0.00 58.31 56.69 1sac n LYS 143 Cb 0.00 -5.31 0.07 0.00 -0.02 0.00 0.00 35.03 29.77 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 -3.50 2.94 -0.18 2.13 0.08 -1.25 -2.81 117.98 115.39 1sac s PHE 144 Ca 0.21 1.32 -0.02 0.00 0.12 0.00 0.00 56.93 58.56 1sac s PHE 144 Cb -0.05 -3.00 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1sac s PHE 144 CO 0.78 -1.53 0.02 0.34 -0.10 0.00 0.00 175.22 174.73 1sac s ASP 145 N -3.80 2.79 0.49 1.36 -1.08 -1.25 -4.99 116.67 110.19 1sac s ASP 145 Ca 0.59 -0.74 0.31 0.00 -0.52 0.00 0.00 52.55 52.20 1sac s ASP 145 Cb -0.15 -0.64 1.41 0.00 -1.46 0.00 0.00 42.92 42.09 1sac s ASP 145 CO 0.55 -0.28 1.76 -0.09 0.52 0.00 0.00 175.17 177.63 1sac h ARG 146 N 8.23 0.13 -0.09 4.34 2.43 -1.93 -0.76 114.38 126.72 1sac h ARG 146 Ca -0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1sac h ARG 146 Cb 1.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1sac h ARG 146 CO 0.34 0.08 0.00 -1.13 -1.51 0.00 0.00 179.97 177.75 1sac n SER 147 N -4.36 0.52 0.00 -3.80 3.41 -1.26 -2.59 113.62 105.54 1sac n SER 147 Ca 0.28 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 1sac n SER 147 Cb 1.20 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.28 1.53 -2.24 4.33 6.02 -0.30 -4.71 117.38 121.73 1sac n GLN 148 Ca 0.06 -1.04 -0.38 0.00 -0.01 0.00 0.00 57.00 55.63 1sac n GLN 148 Cb 0.10 -0.88 -0.01 0.00 1.02 0.00 0.00 30.24 30.47 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 -0.57 6.35 -0.25 1.08 1.04 -1.07 -1.95 113.70 118.33 1sac s SER 149 Ca 0.00 2.37 -0.17 0.00 0.48 0.00 0.00 55.95 58.63 1sac s SER 149 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1sac s SER 149 CO 0.00 -0.80 0.48 0.12 0.98 0.00 0.00 173.24 174.03 1sac s PHE 150 N -1.44 3.29 -0.20 5.02 5.36 -0.48 -4.69 117.98 124.84 1sac s PHE 150 Ca 0.60 0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.17 1sac s PHE 150 Cb -0.31 -2.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1sac s PHE 150 CO 0.38 -0.23 -0.11 0.08 -1.46 0.00 0.00 175.22 173.89 1sac s VAL 151 N 2.10 2.81 -5.00 3.12 1.01 -1.26 -4.78 120.40 118.40 1sac s VAL 151 Ca 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1sac s VAL 151 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1sac s VAL 151 CO 0.09 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1sac n GLY 152 N 4.65 0.11 3.24 4.51 0.00 -0.57 -4.47 105.19 112.65 1sac n GLY 152 Ca -0.19 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 2.25 0.00 1.61 2.02 -0.62 -1.37 118.70 120.60 1sac s GLU 153 Ca 0.00 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.23 1sac s GLU 153 Cb 0.00 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1sac s GLU 153 CO 0.00 0.38 -0.24 0.42 0.02 0.00 0.00 175.26 175.84 1sac s ILE 154 N -0.21 1.92 0.35 -1.63 1.01 -0.24 -1.50 121.20 120.89 1sac s ILE 154 Ca -0.01 -1.13 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 1sac s ILE 154 Cb -0.12 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.78 1sac s ILE 154 CO 0.02 0.45 0.66 0.61 0.00 0.00 0.00 174.94 176.68 1sac n GLY 155 N 2.24 1.32 4.02 6.18 0.00 -0.80 -0.66 105.19 117.48 1sac n GLY 155 Ca -0.16 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.52 -3.52 -4.66 1.61 8.00 -1.26 -0.94 116.55 114.26 1sac n ASP 156 Ca -0.06 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.13 1sac n ASP 156 Cb 0.54 -3.40 -0.04 0.00 -0.02 0.00 0.00 41.12 38.20 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 -7.20 4.13 0.01 0.64 1.98 -1.25 -3.95 118.68 113.03 1sac s LEU 157 Ca 0.57 1.10 0.02 0.00 -2.89 0.00 0.00 54.13 52.93 1sac s LEU 157 Cb -0.30 -3.20 -0.01 0.00 0.66 0.00 0.00 46.19 43.34 1sac s LEU 157 CO 0.87 -0.45 -0.07 -0.31 -1.89 0.00 0.00 176.35 174.50 1sac s TYR 158 N 2.48 0.59 -0.02 5.38 1.51 -0.27 -2.24 117.35 124.78 1sac s TYR 158 Ca 0.36 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1sac s TYR 158 Cb -0.16 -0.37 0.03 0.00 -0.11 0.00 0.00 41.96 41.35 1sac s TYR 158 CO 0.10 -0.02 0.03 1.41 -1.11 0.00 0.00 175.55 175.96 1sac s MET 159 N -0.51 -0.02 0.16 -0.62 1.75 0.87 -1.56 119.30 119.37 1sac s MET 159 Ca -0.01 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.72 1sac s MET 159 Cb -0.04 -0.30 -0.04 0.00 2.84 0.00 0.00 34.83 37.29 1sac s MET 159 CO -0.00 -0.19 -0.10 -1.58 -0.65 0.00 0.00 175.02 172.50 1sac s TRP 160 N 1.21 2.65 -0.60 4.11 0.51 -0.58 -0.51 118.94 125.73 1sac s TRP 160 Ca -0.07 -0.21 -0.02 0.00 -2.12 0.00 0.00 56.10 53.68 1sac s TRP 160 Cb -0.13 -1.33 0.39 0.00 -0.81 0.00 0.00 33.47 31.60 1sac s TRP 160 CO -0.03 0.48 2.05 -0.40 -0.51 0.00 0.00 176.95 178.54 1sac n ASP 161 N 0.26 7.43 -3.90 2.95 5.75 -1.26 -2.37 116.55 125.42 1sac n ASP 161 Ca -0.12 -3.63 -0.09 0.00 -0.01 0.00 0.00 54.79 50.94 1sac n ASP 161 Cb 0.54 -1.00 -0.07 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.35 0.08 -0.34 -1.12 1.04 -1.25 -4.59 113.70 106.17 1sac s SER 162 Ca 0.57 -0.74 -0.25 0.00 0.48 0.00 0.00 55.95 56.01 1sac s SER 162 Cb 0.45 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.96 1sac s SER 162 CO -0.03 -0.80 0.90 -0.69 0.98 0.00 0.00 173.24 173.60 1sac s VAL 163 N -3.91 4.65 0.27 5.02 1.01 -1.26 -2.47 120.40 123.71 1sac s VAL 163 Ca 0.10 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1sac s VAL 163 Cb 0.04 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 1sac s VAL 163 CO -0.06 -0.43 1.08 -0.76 0.00 0.00 0.00 175.10 174.93 1sac s LEU 164 N 3.31 4.56 0.90 3.92 1.02 -1.26 -5.04 118.68 126.09 1sac s LEU 164 Ca 0.37 2.23 -0.10 0.00 0.02 0.00 0.00 54.13 56.65 1sac s LEU 164 Cb -0.13 -3.62 0.14 0.00 0.02 0.00 0.00 46.19 42.59 1sac s LEU 164 CO 0.16 -0.11 1.14 -2.84 0.02 0.00 0.00 176.35 174.72 1sac s PRO 165 N -1.39 1.15 0.42 1.29 0.02 -1.26 -4.81 135.00 130.41 1sac s PRO 165 Ca 0.44 1.53 0.17 0.00 0.02 0.00 0.00 61.00 63.16 1sac s PRO 165 Cb -0.31 -1.74 1.07 0.00 0.02 0.00 0.00 34.50 33.54 1sac s PRO 165 CO 0.40 -2.53 1.88 -1.35 -0.33 0.00 0.00 177.00 175.07 1sac h PRO 166 N -1.77 0.39 -0.84 5.54 0.11 -1.99 -0.47 132.00 132.97 1sac h PRO 166 Ca -0.43 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.78 1sac h PRO 166 Cb 1.27 -0.09 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1sac h PRO 166 CO 0.42 0.26 0.44 1.49 -0.21 0.00 0.00 178.00 180.41 1sac h GLU 167 N 0.41 0.65 0.00 1.05 4.57 -2.00 -1.18 114.58 118.08 1sac h GLU 167 Ca 0.43 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.38 1sac h GLU 167 Cb 1.04 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1sac h GLU 167 CO -0.15 0.43 -1.10 -0.91 -1.18 0.00 0.00 179.01 176.11 1sac h ASN 168 N 0.67 0.00 -0.31 1.04 2.35 -1.44 -2.82 115.58 115.08 1sac h ASN 168 Ca 0.44 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1sac h ASN 168 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1sac h ASN 168 CO -0.32 0.75 0.17 0.40 -1.65 0.00 0.00 177.43 176.78 1sac h ILE 169 N 0.00 1.12 -0.71 2.81 1.08 -1.07 -1.54 117.51 119.20 1sac h ILE 169 Ca -0.10 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1sac h ILE 169 Cb 1.66 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 1sac h ILE 169 CO 0.08 0.12 0.47 0.25 -0.69 0.00 0.00 178.15 178.38 1sac h LEU 170 N 0.38 0.80 -0.39 1.44 5.85 -1.27 -1.28 115.31 120.85 1sac h LEU 170 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1sac h LEU 170 Cb 0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1sac h LEU 170 CO -0.02 0.57 0.10 -1.28 -0.34 0.00 0.00 178.44 177.47 1sac h SER 171 N 0.94 0.58 -0.17 1.25 0.87 -1.43 -1.90 113.55 113.70 1sac h SER 171 Ca 0.27 -0.23 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1sac h SER 171 Cb -0.07 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1sac h SER 171 CO -0.07 0.66 0.07 0.00 -0.53 0.00 0.00 176.83 176.96 1sac h ALA 172 N 0.95 0.19 -0.33 6.23 0.00 -0.95 -0.49 119.26 124.87 1sac h ALA 172 Ca 0.12 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1sac h ALA 172 Cb 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1sac h ALA 172 CO 0.00 -0.36 0.22 -0.92 0.00 0.00 0.00 179.25 178.20 1sac h TYR 173 N 0.16 0.28 -0.06 0.00 3.20 -1.08 -1.27 116.97 118.20 1sac h TYR 173 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1sac h TYR 173 Cb 0.03 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.20 1sac h TYR 173 CO -0.10 0.16 0.00 1.04 -1.64 0.00 0.00 178.16 177.62 1sac n GLN 174 N -4.49 1.70 -0.12 1.82 6.02 -0.73 -4.91 117.38 116.68 1sac n GLN 174 Ca 0.03 -1.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1sac n GLN 174 Cb 0.20 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 1.17 0.93 2.41 1.08 0.00 -0.48 -5.04 105.19 105.26 1sac n GLY 175 Ca 0.18 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1sac n GLY 175 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sac n THR 176 N -2.12 -0.47 -2.07 2.61 -1.04 -0.24 -5.00 114.28 105.95 1sac n THR 176 Ca 0.00 -3.89 -0.30 0.00 -2.04 0.00 0.00 64.05 57.83 1sac n THR 176 Cb 0.00 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 66.70 1sac n THR 176 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1sac s PRO 177 N -0.63 3.28 0.41 -2.82 0.02 -1.26 -4.01 135.00 129.99 1sac s PRO 177 Ca 0.33 0.47 -0.24 0.00 0.02 0.00 0.00 61.00 61.58 1sac s PRO 177 Cb 0.07 -2.14 -0.09 0.00 0.02 0.00 0.00 34.50 32.36 1sac s PRO 177 CO -0.16 -0.67 1.04 -1.17 -0.33 0.00 0.00 177.00 175.71 1sac s LEU 178 N -5.14 4.11 0.21 -5.54 2.96 -1.26 -4.97 118.68 109.05 1sac s LEU 178 Ca 0.55 2.00 -0.32 0.00 -0.22 0.00 0.00 54.13 56.14 1sac s LEU 178 Cb -0.11 -4.23 -0.13 0.00 0.50 0.00 0.00 46.19 42.22 1sac s LEU 178 CO 0.51 -0.50 1.63 -0.81 -1.32 0.00 0.00 176.35 175.86 1sac n PRO 179 N -0.16 2.50 -3.94 0.98 -0.04 -1.26 -4.95 135.00 128.14 1sac n PRO 179 Ca 0.05 0.90 -0.31 0.00 -0.04 0.00 0.00 63.50 64.10 1sac n PRO 179 Cb 0.50 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 1sac n PRO 179 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sac s ALA 180 N 0.82 3.95 -0.19 0.55 0.00 -1.26 -5.03 121.76 120.60 1sac s ALA 180 Ca 0.74 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1sac s ALA 180 Cb -0.57 -1.78 0.04 0.00 0.00 0.00 0.00 23.12 20.80 1sac s ALA 180 CO 0.38 0.81 0.83 0.27 0.00 0.00 0.00 175.76 178.05 1sac n ASN 181 N 0.39 1.72 -0.10 0.00 6.94 -1.20 -4.59 115.26 118.43 1sac n ASN 181 Ca -0.06 -1.60 -0.16 0.00 -0.02 0.00 0.00 54.58 52.74 1sac n ASN 181 Cb 0.51 -0.02 -0.08 0.00 -2.36 0.00 0.00 39.78 37.83 1sac n ASN 181 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1sac n ILE 182 N -0.14 1.09 -3.73 1.53 5.41 0.33 -4.92 119.36 118.92 1sac n ILE 182 Ca 0.02 -0.37 -0.12 0.00 1.00 0.00 0.00 62.75 63.27 1sac n ILE 182 Cb 0.18 -1.34 -0.12 0.00 -0.71 0.00 0.00 39.64 37.64 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 -6.39 0.43 -0.20 1.39 1.02 -0.70 -4.81 118.68 109.42 1sac s LEU 183 Ca -0.26 0.58 -0.04 0.00 0.02 0.00 0.00 54.13 54.43 1sac s LEU 183 Cb 0.08 0.86 0.10 0.00 0.02 0.00 0.00 46.19 47.24 1sac s LEU 183 CO 0.41 -0.16 0.25 -0.62 0.02 0.00 0.00 176.35 176.26 1sac s ASP 184 N 1.10 1.00 0.58 2.29 -1.08 -1.26 -0.09 116.67 119.21 1sac s ASP 184 Ca -0.08 -0.01 0.29 0.00 -0.52 0.00 0.00 52.55 52.24 1sac s ASP 184 Cb -0.09 0.56 1.44 0.00 -1.46 0.00 0.00 42.92 43.38 1sac s ASP 184 CO -0.08 -0.31 1.85 -0.25 0.52 0.00 0.00 175.17 176.91 1sac h TRP 185 N 8.29 0.00 -0.02 -5.34 -0.00 -1.81 0.35 115.95 117.42 1sac h TRP 185 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.72 1sac h TRP 185 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.31 1sac h TRP 185 CO 0.18 0.00 -0.16 1.04 -0.00 0.00 0.00 178.44 179.50 1sac n GLN 186 N -3.81 1.72 -2.96 2.65 6.02 -1.26 -0.77 117.38 118.97 1sac n GLN 186 Ca 0.12 -1.32 -0.14 0.00 -0.01 0.00 0.00 57.00 55.65 1sac n GLN 186 Cb 0.81 -1.47 0.02 0.00 1.02 0.00 0.00 30.24 30.62 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 0.51 0.58 -2.80 -1.58 0.00 0.12 -3.79 120.51 113.55 1sac n ALA 187 Ca 0.14 -2.42 -0.35 0.00 0.00 0.00 0.00 53.44 50.80 1sac n ALA 187 Cb 0.49 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 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 -2.14 3.87 -0.37 0.00 2.96 -0.59 -4.60 118.68 117.82 1sac s LEU 188 Ca 0.31 0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 1sac s LEU 188 Cb 0.30 -1.95 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1sac s LEU 188 CO -0.08 0.26 0.19 0.21 -1.32 0.00 0.00 176.35 175.61 1sac s ASN 189 N -0.16 5.66 0.07 3.68 3.84 -1.26 -1.33 114.94 125.44 1sac s ASN 189 Ca 0.07 -1.04 -0.08 0.00 0.21 0.00 0.00 52.86 52.03 1sac s ASN 189 Cb -0.12 -2.00 -0.01 0.00 -0.55 0.00 0.00 41.25 38.58 1sac s ASN 189 CO 0.01 -0.38 0.15 -0.72 -2.79 0.00 0.00 177.10 173.38 1sac s TYR 190 N 1.52 0.18 -0.22 0.43 1.13 -1.26 -0.53 117.35 118.61 1sac s TYR 190 Ca 0.01 -0.57 0.02 0.00 -1.41 0.00 0.00 57.07 55.12 1sac s TYR 190 Cb -0.19 -0.10 0.04 0.00 -1.10 0.00 0.00 41.96 40.61 1sac s TYR 190 CO 0.06 -0.48 -0.15 -1.21 -2.51 0.00 0.00 175.55 171.26 1sac s GLU 191 N -3.49 2.52 -0.00 -3.49 2.02 -0.21 -4.99 118.70 111.05 1sac s GLU 191 Ca 0.02 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 1sac s GLU 191 Cb 0.04 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 1sac s GLU 191 CO -0.09 -0.40 1.42 0.42 0.02 0.00 0.00 175.26 176.63 1sac s ILE 192 N 1.22 3.68 -0.23 -1.63 1.01 -1.26 -1.25 121.20 122.73 1sac s ILE 192 Ca -0.02 1.05 0.02 0.00 0.00 0.00 0.00 60.65 61.70 1sac s ILE 192 Cb -0.17 -3.68 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1sac s ILE 192 CO -0.09 -0.01 -0.12 -0.13 0.00 0.00 0.00 174.94 174.59 1sac s ARG 193 N 2.51 2.30 1.01 2.79 1.81 0.32 -4.99 118.95 124.69 1sac s ARG 193 Ca 0.65 -1.14 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 1sac s ARG 193 Cb -0.32 -2.73 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 1sac s ARG 193 CO 0.27 -0.48 0.00 0.41 -0.68 0.00 0.00 175.30 174.81 1sac n GLY 194 N 4.53 0.05 3.32 -3.53 0.00 -1.26 -0.83 105.19 107.46 1sac n GLY 194 Ca -0.15 -1.56 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 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 3.98 -0.03 1.61 5.04 -1.26 -4.93 117.35 121.77 1sac s TYR 195 Ca 0.00 -2.35 -0.01 0.00 -2.44 0.00 0.00 57.07 52.27 1sac s TYR 195 Cb 0.00 -3.79 0.03 0.00 0.35 0.00 0.00 41.96 38.55 1sac s TYR 195 CO 0.00 -0.96 0.05 0.54 -1.34 0.00 0.00 175.55 173.84 1sac s VAL 196 N -0.52 -0.08 0.04 3.14 0.11 -1.26 -4.39 120.40 117.44 1sac s VAL 196 Ca 0.24 0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1sac s VAL 196 Cb -0.10 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 1sac s VAL 196 CO -0.09 0.12 0.18 -0.63 -3.33 0.00 0.00 175.10 171.35 1sac s ILE 197 N 1.45 5.27 -0.22 7.04 -1.09 -0.51 -4.93 121.20 128.21 1sac s ILE 197 Ca -0.04 -0.36 -0.10 0.00 -2.23 0.00 0.00 60.65 57.92 1sac s ILE 197 Cb -0.13 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1sac s ILE 197 CO -0.03 0.21 0.13 -0.63 -1.23 0.00 0.00 174.94 173.38 1sac s ILE 198 N -1.42 5.18 0.08 2.92 1.01 -1.26 -0.78 121.20 126.92 1sac s ILE 198 Ca 0.31 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.10 1sac s ILE 198 Cb -0.13 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1sac s ILE 198 CO 0.24 0.38 -0.08 -0.54 0.00 0.00 0.00 174.94 174.94 1sac s LYS 199 N 0.85 0.73 0.76 2.79 -0.14 -0.63 -4.97 119.74 119.13 1sac s LYS 199 Ca 0.07 -1.06 -0.14 0.00 -1.36 0.00 0.00 55.97 53.48 1sac s LYS 199 Cb -0.13 -0.35 0.06 0.00 -1.68 0.00 0.00 37.83 35.73 1sac s LYS 199 CO 0.03 0.04 1.18 -1.25 -0.76 0.00 0.00 175.35 174.59 1sac s PRO 200 N -2.65 1.98 -0.51 -1.68 0.04 -1.26 1.00 135.00 131.92 1sac s PRO 200 Ca 0.02 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 1sac s PRO 200 Cb -0.03 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.72 1sac s PRO 200 CO -0.01 -1.93 0.81 -1.17 0.04 0.00 0.00 177.00 174.73 1sac s LEU 201 N -5.47 4.37 0.00 -3.56 2.96 0.16 -4.52 118.68 112.61 1sac s LEU 201 Ca 0.71 -0.42 0.12 0.00 -0.22 0.00 0.00 54.13 54.32 1sac s LEU 201 Cb -0.26 -2.77 0.13 0.00 0.50 0.00 0.00 46.19 43.78 1sac s LEU 201 CO 0.48 -1.04 0.93 1.33 -1.32 0.00 0.00 176.35 176.74 1sac n VAL 202 N 6.02 0.14 -1.02 1.68 0.24 -1.26 -4.66 118.33 119.47 1sac n VAL 202 Ca -0.00 -0.57 0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1sac n VAL 202 Cb 0.47 1.14 0.23 0.00 -1.47 0.00 0.00 33.84 34.21 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 0.65 0.72 -0.11 6.34 4.27 -1.26 -5.28 117.44 122.78 1sac n TRP 203 Ca 0.08 -0.92 0.00 0.00 -3.89 0.00 0.00 57.50 52.77 1sac n TRP 203 Cb 0.32 -0.28 0.00 0.00 -1.36 0.00 0.00 31.31 29.99 1sac n TRP 203 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95