#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3b s PHE 2 N 0.00 1.75 -0.12 2.03 0.08 0.20 -4.36 117.98 117.56 3a3b s PHE 2 Ca 0.00 -0.81 0.15 0.00 0.12 0.00 0.00 56.93 56.39 3a3b s PHE 2 Cb 0.00 -1.01 -0.06 0.00 -0.57 0.00 0.00 43.02 41.39 3a3b s PHE 2 CO 0.00 0.12 1.13 0.87 -0.10 0.00 0.00 175.22 177.24 3a3b h LYS 3 N 2.38 0.00 -2.06 0.44 1.57 -1.90 0.12 116.57 117.12 3a3b h LYS 3 Ca -0.39 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.17 3a3b h LYS 3 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.55 3a3b h LYS 3 CO 0.66 0.45 -0.30 0.41 -0.57 0.00 0.00 179.45 180.09 3a3b n GLY 4 N 1.32 -0.02 3.21 3.86 0.00 -1.26 -4.30 105.19 107.99 3a3b n GLY 4 Ca -0.04 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3a3b n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a3b s ILE 5 N -2.70 2.93 0.11 -0.61 1.01 -1.26 -1.05 121.20 119.63 3a3b s ILE 5 Ca 0.08 -1.01 -0.31 0.00 0.00 0.00 0.00 60.65 59.41 3a3b s ILE 5 Cb -0.03 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.87 3a3b s ILE 5 CO 0.09 0.19 1.35 -0.69 0.00 0.00 0.00 174.94 175.89 3a3b s VAL 6 N 1.33 3.42 -0.11 2.92 1.01 -1.26 -4.84 120.40 122.88 3a3b s VAL 6 Ca 0.00 1.03 0.15 0.00 0.00 0.00 0.00 61.98 63.16 3a3b s VAL 6 Cb -0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3a3b s VAL 6 CO -0.04 0.09 1.16 1.56 0.00 0.00 0.00 175.10 177.86 3a3b h GLN 7 N 6.69 0.00 0.00 2.72 4.20 -0.92 -3.47 115.11 124.32 3a3b h GLN 7 Ca -0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3a3b h GLN 7 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3a3b h GLN 7 CO 0.85 0.47 0.00 0.41 -0.67 0.00 0.00 178.83 179.89 3a3b n GLY 8 N 1.32 0.39 3.64 3.46 0.00 -1.20 -5.00 105.19 107.78 3a3b n GLY 8 Ca -0.03 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 3a3b n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3b s ALA 9 N -2.00 3.45 0.47 4.61 0.00 -1.20 -1.15 121.76 125.94 3a3b s ALA 9 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 3a3b s ALA 9 Cb 0.00 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 3a3b s ALA 9 CO 0.00 0.08 0.70 0.20 0.00 0.00 0.00 175.76 176.74 3a3b s GLY 10 N 0.55 1.57 -0.16 0.00 0.00 0.65 -4.47 107.32 105.47 3a3b s GLY 10 Ca 0.04 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3a3b s GLY 10 CO 0.01 -0.81 -0.16 -0.42 0.00 0.00 0.00 173.10 171.72 3a3b s ILE 11 N -2.61 1.70 0.08 0.90 -1.09 -0.40 -1.02 121.20 118.75 3a3b s ILE 11 Ca 0.49 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 3a3b s ILE 11 Cb -0.10 -1.58 -0.09 0.00 -1.58 0.00 0.00 42.46 39.11 3a3b s ILE 11 CO 0.39 0.48 1.89 -0.63 -1.23 0.00 0.00 174.94 175.84 3a3b s ILE 12 N 1.42 2.81 -0.25 2.92 1.01 -0.29 -0.74 121.20 128.08 3a3b s ILE 12 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 3a3b s ILE 12 Cb -0.13 -3.04 -0.15 0.00 0.01 0.00 0.00 42.46 39.15 3a3b s ILE 12 CO -0.11 -0.00 -0.25 1.17 0.00 0.00 0.00 174.94 175.75 3a3b n LYS 13 N 6.63 0.60 -3.89 2.79 3.00 0.37 -0.37 118.16 127.30 3a3b n LYS 13 Ca 0.19 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.55 3a3b n LYS 13 Cb 0.40 -1.48 -0.14 0.00 0.00 0.00 0.00 35.03 33.81 3a3b n LYS 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3a3b s LYS 14 N -2.49 0.05 -0.09 1.64 2.20 -0.88 -4.85 119.74 115.32 3a3b s LYS 14 Ca -0.34 -0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 3a3b s LYS 14 Cb 0.10 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 3a3b s LYS 14 CO 0.55 -0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.85 3a3b s ILE 15 N -0.24 1.07 -0.13 5.43 1.01 -1.26 -0.71 121.20 126.38 3a3b s ILE 15 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.27 3a3b s ILE 15 Cb -0.02 -1.03 0.01 0.00 0.01 0.00 0.00 42.46 41.43 3a3b s ILE 15 CO -0.00 0.36 -0.22 -0.44 0.00 0.00 0.00 174.94 174.63 3a3b s SER 16 N 1.17 3.07 -0.21 3.58 0.01 -0.34 -4.98 113.70 115.99 3a3b s SER 16 Ca -0.05 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 56.58 3a3b s SER 16 Cb -0.14 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.65 3a3b s SER 16 CO -0.02 0.10 -0.00 -0.54 0.41 0.00 0.00 173.24 173.18 3a3b s LYS 17 N 0.68 3.54 -0.40 12.44 1.02 -1.26 -0.04 119.74 135.72 3a3b s LYS 17 Ca -0.11 -0.55 0.04 0.00 0.02 0.00 0.00 55.97 55.37 3a3b s LYS 17 Cb -0.16 -3.09 0.16 0.00 -0.52 0.00 0.00 37.83 34.22 3a3b s LYS 17 CO 0.01 -0.09 0.41 1.21 -0.92 0.00 0.00 175.35 175.97 3a3b s ASN 18 N 1.26 0.92 -0.11 2.83 3.84 -0.56 -5.01 114.94 118.11 3a3b s ASN 18 Ca 0.04 -1.89 -0.02 0.00 0.21 0.00 0.00 52.86 51.19 3a3b s ASN 18 Cb -0.15 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 3a3b s ASN 18 CO 0.01 -0.22 0.13 -0.67 -2.79 0.00 0.00 177.10 173.56 3a3b n ASP 19 N 3.82 -3.19 -3.79 -4.21 2.03 -1.26 -4.00 116.55 105.95 3a3b n ASP 19 Ca 0.16 0.06 -0.29 0.00 0.52 0.00 0.00 54.79 55.24 3a3b n ASP 19 Cb 0.47 -1.88 -0.03 0.00 -0.72 0.00 0.00 41.12 38.95 3a3b n ASP 19 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3a3b n ASP 20 N -0.73 -2.73 -3.86 1.67 8.00 -1.26 -4.97 116.55 112.68 3a3b n ASP 20 Ca 0.02 -0.66 -0.11 0.00 0.71 0.00 0.00 54.79 54.74 3a3b n ASP 20 Cb 0.25 -2.30 -0.09 0.00 -0.02 0.00 0.00 41.12 38.96 3a3b n ASP 20 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3a3b s THR 21 N -2.98 0.09 -0.01 -3.53 2.01 -1.26 -4.69 115.64 105.28 3a3b s THR 21 Ca 0.56 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 3a3b s THR 21 Cb -0.31 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.66 3a3b s THR 21 CO 0.68 -0.40 0.02 -1.10 -0.69 0.00 0.00 174.62 173.13 3a3b s GLN 22 N -1.62 0.01 -0.28 4.92 -0.21 -0.32 -1.50 119.66 120.66 3a3b s GLN 22 Ca -0.13 0.06 -0.10 0.00 0.02 0.00 0.00 55.36 55.21 3a3b s GLN 22 Cb -0.06 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.86 3a3b s GLN 22 CO 0.01 -0.04 0.15 0.50 -2.12 0.00 0.00 175.29 173.79 3a3b s ARG 23 N 0.24 3.79 -0.21 2.91 3.52 0.95 0.84 118.95 130.97 3a3b s ARG 23 Ca -0.02 -0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.09 3a3b s ARG 23 Cb -0.03 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3a3b s ARG 23 CO -0.01 -0.21 0.08 -1.01 -0.81 0.00 0.00 175.30 173.34 3a3b s HIS 24 N 1.70 3.20 -0.27 5.12 3.76 -0.62 -1.20 115.29 126.99 3a3b s HIS 24 Ca 0.07 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.81 3a3b s HIS 24 Cb -0.16 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 3a3b s HIS 24 CO 0.08 -0.02 0.24 0.20 -0.85 0.00 0.00 174.74 174.39 3a3b s GLY 25 N 0.87 1.94 -0.13 -2.22 0.00 0.11 -1.20 107.32 106.69 3a3b s GLY 25 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.82 3a3b s GLY 25 CO 0.03 0.69 -0.20 -0.42 0.00 0.00 0.00 173.10 173.20 3a3b s ILE 26 N 1.69 1.91 -0.09 0.90 1.01 0.22 -0.48 121.20 126.36 3a3b s ILE 26 Ca 0.10 -0.89 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3a3b s ILE 26 Cb -0.15 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3a3b s ILE 26 CO 0.09 0.52 1.44 -0.89 0.00 0.00 0.00 174.94 176.11 3a3b s THR 27 N 0.86 3.90 0.07 2.92 2.01 0.08 -0.37 115.64 125.10 3a3b s THR 27 Ca -0.07 1.13 0.02 0.00 0.31 0.00 0.00 61.69 63.08 3a3b s THR 27 Cb -0.15 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3a3b s THR 27 CO -0.02 -0.08 0.11 -0.36 -0.69 0.00 0.00 174.62 173.58 3a3b s PHE 28 N 3.52 3.28 0.77 4.92 0.40 -0.11 -1.28 117.98 129.48 3a3b s PHE 28 Ca 0.64 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.97 3a3b s PHE 28 Cb -0.28 -1.66 0.06 0.00 0.51 0.00 0.00 43.02 41.65 3a3b s PHE 28 CO 0.23 0.54 1.16 -1.25 0.70 0.00 0.00 175.22 176.60 3a3b s PRO 29 N -2.37 2.02 0.16 0.24 0.04 -1.26 -4.78 135.00 129.05 3a3b s PRO 29 Ca 0.30 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3a3b s PRO 29 Cb -0.12 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.61 3a3b s PRO 29 CO 0.23 -1.88 1.67 -0.22 0.04 0.00 0.00 177.00 176.84 3a3b h LYS 30 N -0.72 0.82 -0.29 4.56 3.64 -1.98 0.99 116.57 123.60 3a3b h LYS 30 Ca -0.46 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 3a3b h LYS 30 Cb 1.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3a3b h LYS 30 CO 0.49 0.77 0.15 0.38 -2.27 0.00 0.00 179.45 178.97 3a3b h ASP 31 N 0.72 0.37 -0.45 4.20 2.03 -1.99 0.57 116.42 121.88 3a3b h ASP 31 Ca 0.17 -0.10 -0.05 0.00 -0.73 0.00 0.00 57.03 56.31 3a3b h ASP 31 Cb 0.31 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 3a3b h ASP 31 CO -0.00 0.37 0.09 0.40 -1.03 0.00 0.00 179.24 179.06 3a3b h ILE 32 N 0.35 1.24 -0.73 4.15 2.04 -1.90 -2.61 117.51 120.05 3a3b h ILE 32 Ca 0.10 -0.87 0.14 0.00 1.00 0.00 0.00 64.86 65.23 3a3b h ILE 32 Cb 0.09 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 3a3b h ILE 32 CO -0.01 0.30 0.27 0.25 0.00 0.00 0.00 178.15 178.96 3a3b h LEU 33 N 0.60 0.22 -1.25 1.44 5.85 -0.21 -0.61 115.31 121.35 3a3b h LEU 33 Ca 0.14 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3a3b h LEU 33 Cb 0.36 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3a3b h LEU 33 CO 0.01 0.08 0.00 -0.33 -0.34 0.00 0.00 178.44 177.85 3a3b h GLU 34 N 0.40 0.00 -0.02 1.25 4.39 -0.55 -2.72 114.58 117.34 3a3b h GLU 34 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3a3b h GLU 34 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3a3b h GLU 34 CO -0.41 0.00 -0.14 -1.13 -1.16 0.00 0.00 179.01 176.16 3a3b n SER 35 N -2.71 1.80 -4.50 1.42 3.41 -0.25 -4.95 113.62 107.84 3a3b n SER 35 Ca 0.01 -1.46 -0.25 0.00 -0.26 0.00 0.00 58.87 56.91 3a3b n SER 35 Cb 0.25 0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 3a3b n SER 35 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3a3b s VAL 36 N -2.21 2.36 0.24 -3.33 -7.23 -1.03 -5.07 120.40 104.14 3a3b s VAL 36 Ca 0.29 -2.31 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 3a3b s VAL 36 Cb 0.20 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3a3b s VAL 36 CO 0.41 -0.31 0.39 -1.83 -0.31 0.00 0.00 175.10 173.46 3a3b s GLU 37 N -3.56 1.47 0.15 4.82 -1.05 -1.26 -4.99 118.70 114.27 3a3b s GLU 37 Ca 0.31 -1.35 -0.34 0.00 -0.15 0.00 0.00 54.97 53.44 3a3b s GLU 37 Cb -0.01 0.42 -0.16 0.00 -0.44 0.00 0.00 34.13 33.94 3a3b s GLU 37 CO 0.16 -0.58 1.28 1.63 0.95 0.00 0.00 175.26 178.70 3a3b n LYS 38 N -0.36 1.34 -0.04 -4.83 5.02 -1.26 -1.54 118.16 116.49 3a3b n LYS 38 Ca -0.01 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 3a3b n LYS 38 Cb 0.63 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3a3b n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a3b n GLY 39 N 2.32 0.57 3.73 0.72 0.00 0.52 -4.99 105.19 108.07 3a3b n GLY 39 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3a3b n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a3b s THR 40 N -2.23 3.14 -0.31 2.61 2.01 -0.59 -4.68 115.64 115.59 3a3b s THR 40 Ca 0.00 0.89 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 3a3b s THR 40 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3a3b s THR 40 CO 0.00 0.11 0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 3a3b s VAL 41 N 0.47 5.28 0.31 3.82 1.01 -1.26 -0.60 120.40 129.43 3a3b s VAL 41 Ca 0.60 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3a3b s VAL 41 Cb -0.38 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 3a3b s VAL 41 CO 0.36 0.10 0.24 0.00 0.00 0.00 0.00 175.10 175.79 3a3b s MET 42 N 1.77 1.67 -0.20 2.72 0.23 -0.68 -4.54 119.30 120.27 3a3b s MET 42 Ca 0.07 -1.96 -0.10 0.00 -1.03 0.00 0.00 55.69 52.67 3a3b s MET 42 Cb -0.17 0.22 -0.05 0.00 -1.53 0.00 0.00 34.83 33.30 3a3b s MET 42 CO 0.11 -0.58 0.14 -0.51 -2.03 0.00 0.00 175.02 172.14 3a3b s LEU 43 N -3.36 4.20 -0.16 0.18 1.43 0.58 -1.97 118.68 119.58 3a3b s LEU 43 Ca 0.39 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3a3b s LEU 43 Cb 0.03 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.17 3a3b s LEU 43 CO 0.24 0.16 -0.17 -0.69 0.23 0.00 0.00 176.35 176.12 3a3b s VAL 44 N 0.46 1.79 -1.73 -1.59 1.01 -0.12 -1.83 120.40 118.38 3a3b s VAL 44 Ca 0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 3a3b s VAL 44 Cb -0.11 -1.64 0.18 0.00 0.00 0.00 0.00 36.38 34.80 3a3b s VAL 44 CO -0.01 0.50 0.73 0.59 0.00 0.00 0.00 175.10 176.90 3a3b n ASN 45 N 4.64 -2.92 0.00 3.32 3.02 -0.52 -1.22 115.26 121.58 3a3b n ASN 45 Ca -0.19 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3a3b n ASN 45 Cb 0.50 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.25 3a3b n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3b n GLY 46 N -1.28 0.90 3.62 7.41 0.00 -1.23 -3.68 105.19 110.94 3a3b n GLY 46 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3a3b n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3b s SER 48 N 0.33 6.69 0.03 0.00 0.01 -0.24 -0.94 113.70 119.58 3a3b s SER 48 Ca 0.02 2.30 -0.02 0.00 1.31 0.00 0.00 55.95 59.57 3a3b s SER 48 Cb -0.12 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 3a3b s SER 48 CO 0.00 -0.86 0.00 -0.76 0.41 0.00 0.00 173.24 172.04 3a3b s LEU 49 N 3.07 2.21 -0.19 2.44 1.43 -0.83 -4.98 118.68 121.83 3a3b s LEU 49 Ca 0.71 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 3a3b s LEU 49 Cb -0.35 0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 3a3b s LEU 49 CO 0.30 -0.45 0.03 -0.89 0.23 0.00 0.00 176.35 175.57 3a3b s THR 50 N -2.53 4.45 -0.04 5.49 2.01 -1.26 -1.69 115.64 122.07 3a3b s THR 50 Ca -0.06 -0.15 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3a3b s THR 50 Cb -0.02 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 3a3b s THR 50 CO -0.05 0.45 1.73 -0.69 -0.69 0.00 0.00 174.62 175.37 3a3b s VAL 51 N 0.57 3.46 -0.10 3.82 1.01 0.23 -4.38 120.40 125.00 3a3b s VAL 51 Ca 0.01 0.55 0.20 0.00 0.00 0.00 0.00 61.98 62.75 3a3b s VAL 51 Cb -0.13 -3.36 -0.28 0.00 0.00 0.00 0.00 36.38 32.60 3a3b s VAL 51 CO 0.02 -0.06 0.39 1.33 0.00 0.00 0.00 175.10 176.78 3a3b n VAL 52 N 5.55 0.61 -3.63 2.92 0.24 -0.60 -0.35 118.33 123.07 3a3b n VAL 52 Ca 0.18 -0.64 -0.05 0.00 -2.04 0.00 0.00 64.34 61.79 3a3b n VAL 52 Cb 0.42 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.55 3a3b n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a3b s ARG 53 N -3.11 0.85 -0.02 7.34 1.70 -1.24 -4.89 118.95 119.58 3a3b s ARG 53 Ca -0.08 -0.41 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 3a3b s ARG 53 Cb 0.11 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.83 3a3b s ARG 53 CO 0.87 -0.38 -0.01 0.42 -1.08 0.00 0.00 175.30 175.12 3a3b s ILE 54 N -3.01 0.19 -0.17 4.99 1.01 -1.26 -0.58 121.20 122.36 3a3b s ILE 54 Ca 0.09 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.74 3a3b s ILE 54 Cb -0.00 -0.24 0.05 0.00 0.01 0.00 0.00 42.46 42.28 3a3b s ILE 54 CO -0.04 0.12 0.04 -0.55 0.00 0.00 0.00 174.94 174.51 3a3b s SER 55 N 0.68 2.58 1.43 3.58 0.15 -0.03 -5.01 113.70 117.08 3a3b s SER 55 Ca -0.07 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 55.92 3a3b s SER 55 Cb -0.10 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 3a3b s SER 55 CO -0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.74 3a3b n GLY 56 N 5.11 2.49 0.56 9.45 0.00 -1.26 -1.41 105.19 120.14 3a3b n GLY 56 Ca -0.08 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3a3b n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a3b n ASP 57 N 4.64 1.64 -4.61 1.61 5.68 -1.26 -4.87 116.55 119.38 3a3b n ASP 57 Ca 0.00 -1.98 -0.38 0.00 -0.50 0.00 0.00 54.79 51.94 3a3b n ASP 57 Cb 0.00 -0.20 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 3a3b n ASP 57 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3a3b s VAL 58 N -1.60 5.31 -0.14 2.12 1.01 -0.50 -0.93 120.40 125.65 3a3b s VAL 58 Ca 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3a3b s VAL 58 Cb 0.11 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3a3b s VAL 58 CO 0.15 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.74 3a3b s VAL 59 N 1.62 3.46 0.06 2.92 1.01 0.50 -0.85 120.40 129.12 3a3b s VAL 59 Ca 0.08 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3a3b s VAL 59 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3a3b s VAL 59 CO 0.09 0.51 -0.03 -0.31 0.00 0.00 0.00 175.10 175.36 3a3b s TYR 60 N 0.36 2.94 0.01 5.22 2.02 0.25 0.71 117.35 128.87 3a3b s TYR 60 Ca -0.07 -0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 3a3b s TYR 60 Cb -0.15 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 3a3b s TYR 60 CO 0.04 0.44 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.38 3a3b s PHE 61 N -1.18 0.23 -0.25 2.71 0.08 -0.34 -1.55 117.98 117.67 3a3b s PHE 61 Ca 0.22 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.93 3a3b s PHE 61 Cb -0.11 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.14 3a3b s PHE 61 CO 0.14 -0.07 0.17 -0.51 -0.10 0.00 0.00 175.22 174.85 3a3b s ASP 62 N -0.64 6.07 -0.41 1.36 1.01 -1.26 -1.58 116.67 121.21 3a3b s ASP 62 Ca -0.06 0.06 -0.16 0.00 0.71 0.00 0.00 52.55 53.11 3a3b s ASP 62 Cb -0.04 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.80 3a3b s ASP 62 CO -0.00 0.02 0.34 -0.63 0.21 0.00 0.00 175.17 175.11 3a3b s ILE 63 N 1.31 5.21 0.04 0.77 -1.09 0.25 -4.83 121.20 122.86 3a3b s ILE 63 Ca 0.07 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 3a3b s ILE 63 Cb -0.14 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3a3b s ILE 63 CO 0.07 -0.32 0.00 -0.90 -1.23 0.00 0.00 174.94 172.55 3a3b n ASP 64 N 5.29 0.01 -0.28 3.58 5.68 -1.26 -1.17 116.55 128.40 3a3b n ASP 64 Ca -0.10 0.07 0.21 0.00 -0.50 0.00 0.00 54.79 54.47 3a3b n ASP 64 Cb 0.47 0.05 0.51 0.00 -1.14 0.00 0.00 41.12 41.01 3a3b n ASP 64 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3a3b h GLN 65 N 0.00 0.40 -0.01 0.11 4.15 -1.89 -2.01 115.11 115.86 3a3b h GLN 65 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3a3b h GLN 65 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3a3b h GLN 65 CO 0.00 0.26 -0.18 0.00 -1.93 0.00 0.00 178.83 176.98 3a3b n ALA 66 N -2.50 2.93 0.26 3.38 0.00 -1.26 -4.62 120.51 118.70 3a3b n ALA 66 Ca 0.22 -0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.35 3a3b n ALA 66 Cb 0.77 -1.16 0.69 0.00 0.00 0.00 0.00 19.45 19.75 3a3b n ALA 66 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3a3b h ILE 67 N 1.41 0.86 -0.02 0.00 6.09 -1.63 -2.56 117.51 121.66 3a3b h ILE 67 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 3a3b h ILE 67 Cb 0.49 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.90 3a3b h ILE 67 CO 0.00 0.06 -0.25 0.59 -3.07 0.00 0.00 178.15 175.47 3a3b n ASN 68 N -4.20 2.20 -0.25 2.19 5.03 -1.26 -4.48 115.26 114.48 3a3b n ASN 68 Ca -0.03 -1.60 0.04 0.00 0.87 0.00 0.00 54.58 53.86 3a3b n ASN 68 Cb 0.14 0.29 0.06 0.00 -1.02 0.00 0.00 39.78 39.25 3a3b n ASN 68 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3a3b n THR 69 N 0.42 0.83 -4.06 3.41 -2.24 -0.98 -5.06 114.28 106.59 3a3b n THR 69 Ca 0.10 -0.98 -0.10 0.00 -2.27 0.00 0.00 64.05 60.80 3a3b n THR 69 Cb 0.45 0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 3a3b n THR 69 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3b s THR 70 N -1.22 0.02 -1.10 4.28 -4.23 -1.09 -4.60 115.64 107.71 3a3b s THR 70 Ca 0.13 -1.62 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 3a3b s THR 70 Cb 0.11 -2.19 0.27 0.00 1.34 0.00 0.00 72.50 72.03 3a3b s THR 70 CO 0.01 -0.11 1.85 0.35 -0.54 0.00 0.00 174.62 176.18 3a3b n THR 71 N -0.28 0.20 -0.33 3.99 -2.24 -1.26 -4.38 114.28 109.98 3a3b n THR 71 Ca -0.02 0.05 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 3a3b n THR 71 Cb 0.64 -0.60 0.36 0.00 -2.10 0.00 0.00 70.33 68.62 3a3b n THR 71 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3a3b h PHE 72 N 0.00 0.90 -0.69 4.78 0.04 -1.90 -0.48 116.94 119.59 3a3b h PHE 72 Ca 0.00 0.04 0.20 0.00 2.80 0.00 0.00 57.97 61.00 3a3b h PHE 72 Cb 0.40 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3a3b h PHE 72 CO 0.00 0.03 0.49 0.00 -0.60 0.00 0.00 178.31 178.24 3a3b h ARG 73 N 0.53 0.02 -0.01 1.51 3.08 -1.80 -2.46 114.38 115.25 3a3b h ARG 73 Ca 0.61 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.66 3a3b h ARG 73 Cb 1.16 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3a3b h ARG 73 CO -0.49 0.01 -0.54 0.39 -1.07 0.00 0.00 179.97 178.27 3a3b n GLU 74 N -4.34 1.61 -1.68 0.04 1.02 -0.20 -4.99 120.64 112.11 3a3b n GLU 74 Ca 0.14 -0.46 -0.33 0.00 -0.02 0.00 0.00 57.16 56.49 3a3b n GLU 74 Cb 0.75 -1.29 0.05 0.00 -0.02 0.00 0.00 31.44 30.93 3a3b n GLU 74 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a3b s LEU 75 N -2.41 3.35 0.15 -4.62 1.43 -0.93 -5.07 118.68 110.57 3a3b s LEU 75 Ca 0.11 2.00 0.05 0.00 -1.03 0.00 0.00 54.13 55.26 3a3b s LEU 75 Cb 0.13 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 3a3b s LEU 75 CO 0.54 -1.71 -0.12 -1.61 0.23 0.00 0.00 176.35 173.68 3a3b s GLU 76 N -4.18 1.09 0.20 1.70 2.02 -1.26 -5.08 118.70 113.19 3a3b s GLU 76 Ca 0.67 -1.41 -0.32 0.00 0.02 0.00 0.00 54.97 53.93 3a3b s GLU 76 Cb -0.20 -0.78 -0.15 0.00 0.10 0.00 0.00 34.13 33.10 3a3b s GLU 76 CO 0.43 0.12 1.25 0.28 0.02 0.00 0.00 175.26 177.36 3a3b n VAL 77 N -0.00 0.93 0.00 2.63 0.31 -1.26 -1.76 118.33 119.18 3a3b n VAL 77 Ca -0.11 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 3a3b n VAL 77 Cb 0.59 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3a3b n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a3b n GLY 78 N 2.05 3.13 3.77 2.92 0.00 0.50 -4.99 105.19 112.57 3a3b n GLY 78 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3a3b n GLY 78 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a3b s ASN 79 N -1.13 6.36 0.12 1.61 0.01 -0.72 -4.68 114.94 116.50 3a3b s ASN 79 Ca 0.00 2.64 -0.19 0.00 -0.71 0.00 0.00 52.86 54.59 3a3b s ASN 79 Cb 0.00 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 3a3b s ASN 79 CO 0.00 -0.81 0.62 -0.54 -1.51 0.00 0.00 177.10 174.85 3a3b s LYS 80 N -2.21 4.23 0.06 -0.60 1.02 -1.26 -1.14 119.74 119.84 3a3b s LYS 80 Ca 0.56 0.78 0.05 0.00 0.02 0.00 0.00 55.97 57.38 3a3b s LYS 80 Cb -0.38 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3a3b s LYS 80 CO 0.49 0.58 -0.14 0.14 -0.92 0.00 0.00 175.35 175.50 3a3b s VAL 81 N -1.22 1.06 0.18 3.17 -7.23 -0.19 -4.81 120.40 111.36 3a3b s VAL 81 Ca 0.33 -1.21 -0.25 0.00 -1.81 0.00 0.00 61.98 59.05 3a3b s VAL 81 Cb -0.19 -1.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.66 3a3b s VAL 81 CO 0.20 -0.18 0.78 0.20 -0.31 0.00 0.00 175.10 175.78 3a3b s ASN 82 N -1.58 7.34 -0.01 4.85 0.01 -1.26 -0.25 114.94 124.04 3a3b s ASN 82 Ca -0.02 1.62 0.07 0.00 -0.71 0.00 0.00 52.86 53.83 3a3b s ASN 82 Cb -0.09 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 3a3b s ASN 82 CO 0.02 0.18 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.80 3a3b s LEU 83 N -1.29 2.06 -0.14 0.60 1.43 -0.30 -1.44 118.68 119.59 3a3b s LEU 83 Ca 0.37 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 3a3b s LEU 83 Cb -0.22 -1.15 0.06 0.00 0.03 0.00 0.00 46.19 44.92 3a3b s LEU 83 CO 0.25 0.26 0.31 -0.70 0.23 0.00 0.00 176.35 176.71 3a3b s GLU 84 N -0.62 0.24 0.12 1.70 2.12 -0.76 -0.32 118.70 121.18 3a3b s GLU 84 Ca 0.09 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 55.99 3a3b s GLU 84 Cb -0.09 0.00 -0.07 0.00 0.26 0.00 0.00 34.13 34.24 3a3b s GLU 84 CO -0.00 -0.22 0.56 0.08 -0.54 0.00 0.00 175.26 175.13 3a3b s VAL 85 N 1.92 4.81 0.23 3.70 1.01 -1.26 -0.31 120.40 130.51 3a3b s VAL 85 Ca -0.04 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 3a3b s VAL 85 Cb -0.11 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3a3b s VAL 85 CO -0.10 0.36 1.46 -0.60 0.00 0.00 0.00 175.10 176.23 3a3b s ARG 86 N -1.62 4.26 0.00 2.72 3.52 -1.26 -4.94 118.95 121.62 3a3b s ARG 86 Ca 0.34 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 3a3b s ARG 86 Cb -0.17 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3a3b s ARG 86 CO 0.19 -0.45 0.09 -0.35 -0.81 0.00 0.00 175.30 173.97 3a3b n PRO 87 N 2.61 0.00 0.00 5.12 -0.04 -1.26 -5.12 135.00 136.31 3a3b n PRO 87 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3a3b n PRO 87 Cb 0.40 -0.43 0.00 0.00 -0.04 0.00 0.00 33.50 33.43 3a3b n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3a3b n LYS 95 N -0.21 0.00 0.00 0.54 5.02 -1.26 -5.16 118.16 117.09 3a3b n LYS 95 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3a3b n LYS 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3a3b n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a3b n GLY 96 N 0.00 1.97 3.65 0.72 0.00 -1.26 -4.86 105.19 105.41 3a3b n GLY 96 Ca 0.00 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 44.97 3a3b n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3b n ALA 97 N 0.00 0.89 -2.62 4.61 0.00 -1.26 -4.57 120.51 117.55 3a3b n ALA 97 Ca 0.00 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.57 3a3b n ALA 97 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 19.45 17.06 3a3b n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a3b s LEU 98 N 0.74 3.29 0.05 0.00 1.43 0.03 -4.92 118.68 119.30 3a3b s LEU 98 Ca 0.78 -0.09 0.20 0.00 -1.03 0.00 0.00 54.13 53.99 3a3b s LEU 98 Cb -0.73 -1.87 -0.17 0.00 0.03 0.00 0.00 46.19 43.45 3a3b s LEU 98 CO 0.41 0.29 0.70 0.35 0.23 0.00 0.00 176.35 178.33 3a3b n THR 99 N 1.53 0.70 -0.55 5.49 -2.24 -1.26 -0.63 114.28 117.32 3a3b n THR 99 Ca -0.15 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3a3b n THR 99 Cb 0.53 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3a3b n THR 99 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3b n GLY 100 N 1.33 0.75 3.42 3.38 0.00 -1.26 -4.78 105.19 108.04 3a3b n GLY 100 Ca -0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.50 3a3b n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a3b s ASN 101 N -2.53 6.20 0.12 1.61 2.47 -1.26 -1.08 114.94 120.47 3a3b s ASN 101 Ca 0.00 -1.11 -0.31 0.00 0.42 0.00 0.00 52.86 51.86 3a3b s ASN 101 Cb 0.00 -2.34 -0.07 0.00 -1.45 0.00 0.00 41.25 37.39 3a3b s ASN 101 CO 0.00 -1.16 1.30 -0.63 -3.72 0.00 0.00 177.10 172.89 3a3b s ILE 102 N 3.13 3.54 -0.12 -5.21 -1.09 -1.26 -4.78 121.20 115.41 3a3b s ILE 102 Ca 0.17 1.14 0.20 0.00 -2.23 0.00 0.00 60.65 59.92 3a3b s ILE 102 Cb -0.20 -3.73 -0.24 0.00 -1.58 0.00 0.00 42.46 36.70 3a3b s ILE 102 CO 0.10 0.11 0.47 0.29 -1.23 0.00 0.00 174.94 174.68 3a3b n LYS 103 N 3.60 0.66 -3.84 2.79 4.76 0.21 -5.00 118.16 121.34 3a3b n LYS 103 Ca 0.09 -0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.47 3a3b n LYS 103 Cb 0.44 -1.61 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 3a3b n LYS 103 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3a3b s GLY 104 N -4.86 0.03 -0.20 0.72 0.00 -1.08 -5.02 107.32 96.91 3a3b s GLY 104 Ca -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 3a3b s GLY 104 CO 0.86 1.53 -0.06 0.14 0.00 0.00 0.00 173.10 175.56 3a3b s VAL 105 N -2.49 3.37 0.39 1.40 1.01 -1.26 -0.84 120.40 121.97 3a3b s VAL 105 Ca 0.19 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.73 3a3b s VAL 105 Cb -0.02 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3a3b s VAL 105 CO 0.05 0.45 0.20 0.00 0.00 0.00 0.00 175.10 175.80 3a3b s ALA 106 N 1.15 3.64 -0.08 5.51 0.00 -0.30 -4.53 121.76 127.15 3a3b s ALA 106 Ca 0.02 -1.96 0.03 0.00 0.00 0.00 0.00 51.96 50.05 3a3b s ALA 106 Cb -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.35 3a3b s ALA 106 CO -0.01 -0.10 -0.19 0.99 0.00 0.00 0.00 175.76 176.45 3a3b s THR 107 N -2.51 1.64 0.17 0.00 2.01 -0.78 -1.07 115.64 115.10 3a3b s THR 107 Ca 0.41 -0.77 -0.32 0.00 0.31 0.00 0.00 61.69 61.32 3a3b s THR 107 Cb 0.00 -1.44 -0.12 0.00 0.01 0.00 0.00 72.50 70.95 3a3b s THR 107 CO 0.24 0.47 1.77 0.52 -0.69 0.00 0.00 174.62 176.92 3a3b n VAL 108 N 3.66 0.15 -0.02 3.82 0.31 0.14 -0.40 118.33 125.98 3a3b n VAL 108 Ca -0.21 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 3a3b n VAL 108 Cb 0.52 -2.04 -0.14 0.00 -0.91 0.00 0.00 33.84 31.28 3a3b n VAL 108 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3a3b n ASP 109 N 4.65 1.16 -3.64 4.52 2.03 0.23 -1.38 116.55 124.13 3a3b n ASP 109 Ca 0.17 0.34 -0.10 0.00 0.52 0.00 0.00 54.79 55.72 3a3b n ASP 109 Cb 0.36 -0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.47 3a3b n ASP 109 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3a3b s ASN 110 N -6.30 -0.47 -0.10 1.67 2.47 -1.12 -4.81 114.94 106.28 3a3b s ASN 110 Ca -0.10 0.91 0.04 0.00 0.42 0.00 0.00 52.86 54.12 3a3b s ASN 110 Cb 0.08 0.92 0.00 0.00 -1.45 0.00 0.00 41.25 40.80 3a3b s ASN 110 CO 0.81 -0.16 -0.21 -0.63 -3.72 0.00 0.00 177.10 173.19 3a3b s ILE 111 N 0.23 1.86 -0.18 -5.21 -1.09 -1.26 -1.23 121.20 114.32 3a3b s ILE 111 Ca 0.03 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 3a3b s ILE 111 Cb -0.05 -1.62 0.01 0.00 -1.58 0.00 0.00 42.46 39.22 3a3b s ILE 111 CO -0.06 0.52 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.11 3a3b s THR 112 N 0.44 2.41 -0.19 2.92 2.01 0.13 -4.98 115.64 118.39 3a3b s THR 112 Ca -0.17 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 3a3b s THR 112 Cb -0.17 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3a3b s THR 112 CO 0.07 0.51 0.34 -0.70 -0.69 0.00 0.00 174.62 174.16 3a3b s GLU 113 N 1.20 4.20 0.00 4.92 2.12 -1.26 -0.17 118.70 129.71 3a3b s GLU 113 Ca 0.02 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.48 3a3b s GLU 113 Cb -0.14 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.76 3a3b s GLU 113 CO -0.08 0.08 0.00 0.39 -0.54 0.00 0.00 175.26 175.11 3a3b n GLU 114 N 4.10 1.02 0.02 4.30 1.02 -0.08 -5.01 120.64 126.01 3a3b n GLU 114 Ca -0.10 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 3a3b n GLU 114 Cb 0.51 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.79 3a3b n GLU 114 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3a3b h GLU 115 N 0.00 0.29 0.00 3.49 4.81 -2.01 -3.25 114.58 117.91 3a3b h GLU 115 Ca 0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3a3b h GLU 115 Cb 0.00 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3a3b h GLU 115 CO 0.00 1.22 0.00 -0.25 -0.73 0.00 0.00 179.01 179.25 3a3b n ASP 116 N -3.49 1.27 -4.22 1.04 8.00 -1.26 -4.96 116.55 112.92 3a3b n ASP 116 Ca -0.29 -1.43 -0.20 0.00 0.71 0.00 0.00 54.79 53.58 3a3b n ASP 116 Cb 1.06 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 42.04 3a3b n ASP 116 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3a3b s ARG 117 N -0.43 0.97 -0.27 -1.24 1.81 -1.23 -0.68 118.95 117.87 3a3b s ARG 117 Ca 0.00 -1.11 0.01 0.00 -1.72 0.00 0.00 55.73 52.91 3a3b s ARG 117 Cb 0.00 -0.99 0.05 0.00 -0.45 0.00 0.00 34.95 33.56 3a3b s ARG 117 CO 0.00 0.21 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.59 3a3b s LEU 118 N -2.04 3.51 -0.30 2.53 2.96 0.96 -0.91 118.68 125.39 3a3b s LEU 118 Ca 0.04 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 52.54 3a3b s LEU 118 Cb -0.08 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3a3b s LEU 118 CO 0.03 -0.20 0.46 -0.54 -1.32 0.00 0.00 176.35 174.79 3a3b s LYS 119 N 1.20 3.84 -0.09 1.98 1.02 0.77 -0.41 119.74 128.05 3a3b s LYS 119 Ca -0.06 0.00 0.04 0.00 0.02 0.00 0.00 55.97 55.98 3a3b s LYS 119 Cb -0.19 -3.72 -0.00 0.00 -0.52 0.00 0.00 37.83 33.39 3a3b s LYS 119 CO -0.04 -0.45 -0.23 0.08 -0.92 0.00 0.00 175.35 173.78 3a3b s VAL 120 N 2.25 2.14 -0.15 3.17 1.01 -0.08 0.21 120.40 128.96 3a3b s VAL 120 Ca 0.18 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3a3b s VAL 120 Cb -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3a3b s VAL 120 CO 0.11 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.27 3a3b s TYR 121 N 0.16 2.56 -0.09 5.22 2.02 -0.37 -0.30 117.35 126.53 3a3b s TYR 121 Ca -0.13 -1.37 0.02 0.00 -0.37 0.00 0.00 57.07 55.22 3a3b s TYR 121 Cb -0.16 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 3a3b s TYR 121 CO 0.07 -0.66 -0.14 0.42 -1.57 0.00 0.00 175.55 173.67 3a3b s ILE 122 N 1.06 1.37 -0.47 2.71 1.01 0.37 0.78 121.20 128.04 3a3b s ILE 122 Ca -0.02 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 3a3b s ILE 122 Cb -0.14 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.09 3a3b s ILE 122 CO -0.06 0.41 1.00 -0.75 0.00 0.00 0.00 174.94 175.54 3a3b s LYS 123 N 0.90 3.60 0.09 2.79 2.20 0.46 -0.10 119.74 129.68 3a3b s LYS 123 Ca -0.09 0.30 -0.25 0.00 -0.36 0.00 0.00 55.97 55.57 3a3b s LYS 123 Cb -0.15 -3.92 -0.06 0.00 -1.51 0.00 0.00 37.83 32.18 3a3b s LYS 123 CO 0.00 -1.28 0.78 0.42 -0.36 0.00 0.00 175.35 174.91 3a3b s ILE 124 N 3.99 4.59 0.20 5.43 -1.09 0.57 -1.87 121.20 133.03 3a3b s ILE 124 Ca 0.41 1.68 -0.32 0.00 -2.23 0.00 0.00 60.65 60.19 3a3b s ILE 124 Cb -0.09 -4.13 -0.15 0.00 -1.58 0.00 0.00 42.46 36.51 3a3b s ILE 124 CO 0.28 0.42 1.21 -2.65 -1.23 0.00 0.00 174.94 172.97 3a3b n PRO 125 N 2.37 1.38 -0.30 2.79 -0.02 -1.26 -4.86 135.00 135.11 3a3b n PRO 125 Ca -0.03 0.49 0.06 0.00 -2.02 0.00 0.00 63.50 62.00 3a3b n PRO 125 Cb 0.50 -2.01 0.21 0.00 -0.02 0.00 0.00 33.50 32.17 3a3b n PRO 125 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a3b h LYS 126 N 3.44 0.67 0.00 -0.52 1.57 -1.96 0.40 116.57 120.18 3a3b h LYS 126 Ca -0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3a3b h LYS 126 Cb 1.33 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3a3b h LYS 126 CO 0.70 0.45 0.03 0.38 -0.57 0.00 0.00 179.45 180.44 3a3b h ASP 127 N 0.69 0.00 0.14 0.86 2.03 -2.01 -2.63 116.42 115.51 3a3b h ASP 127 Ca 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.74 3a3b h ASP 127 Cb 0.55 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3a3b h ASP 127 CO -0.32 0.00 -1.71 0.18 -1.03 0.00 0.00 179.24 176.36 3a3b n LEU 128 N -2.53 0.25 0.17 0.15 4.77 0.13 -4.66 117.00 115.28 3a3b n LEU 128 Ca -0.02 -0.02 0.02 0.00 -0.03 0.00 0.00 56.01 55.96 3a3b n LEU 128 Cb 0.08 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.50 3a3b n LEU 128 CO 0.13 0.01 0.73 -0.29 -1.33 0.00 0.00 177.39 176.64 3a3b h ILE 129 N 0.00 1.26 -0.99 -0.08 -0.00 -1.42 -2.89 117.51 113.40 3a3b h ILE 129 Ca 0.00 -1.26 0.32 0.00 -0.00 0.00 0.00 64.86 63.91 3a3b h ILE 129 Cb 0.93 1.65 -0.15 0.00 -0.00 0.00 0.00 36.82 39.24 3a3b h ILE 129 CO 0.00 0.37 0.52 -0.33 -0.00 0.00 0.00 178.15 178.70 3a3b h GLU 130 N 0.04 0.28 -0.42 2.19 5.08 -1.83 -2.52 114.58 117.40 3a3b h GLU 130 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3a3b h GLU 130 Cb 0.65 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3a3b h GLU 130 CO 0.05 0.18 0.01 -1.71 -1.00 0.00 0.00 179.01 176.54 3a3b n ASN 131 N -5.09 4.78 -4.13 1.42 5.15 -1.09 -4.92 115.26 111.37 3a3b n ASN 131 Ca 0.31 -3.00 -0.32 0.00 -0.60 0.00 0.00 54.58 50.97 3a3b n ASN 131 Cb 0.96 -0.62 -0.16 0.00 -0.53 0.00 0.00 39.78 39.43 3a3b n ASN 131 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3a3b s ILE 132 N -2.82 1.99 0.22 -1.44 1.01 -0.95 -5.00 121.20 114.20 3a3b s ILE 132 Ca 0.48 -0.92 0.10 0.00 0.00 0.00 0.00 60.65 60.32 3a3b s ILE 132 Cb 0.38 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3a3b s ILE 132 CO 0.12 0.53 -0.12 -0.76 0.00 0.00 0.00 174.94 174.71 3a3b s LEU 133 N 1.06 2.84 0.44 2.97 1.43 -1.26 -5.01 118.68 121.15 3a3b s LEU 133 Ca -0.01 -0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 52.12 3a3b s LEU 133 Cb -0.14 -1.47 -0.10 0.00 0.03 0.00 0.00 46.19 44.51 3a3b s LEU 133 CO -0.07 0.08 1.05 -1.20 0.23 0.00 0.00 176.35 176.44 3a3b n SER 134 N -0.21 1.44 0.00 2.29 7.64 -1.26 -1.75 113.62 121.77 3a3b n SER 134 Ca -0.09 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3a3b n SER 134 Cb 0.57 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3a3b n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3a3b n GLU 135 N 0.01 0.00 -1.93 1.43 -0.58 0.95 -4.96 120.64 115.55 3a3b n GLU 135 Ca 0.09 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.47 3a3b n GLU 135 Cb 0.40 -1.53 0.04 0.00 -0.57 0.00 0.00 31.44 29.78 3a3b n GLU 135 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a3b s ASP 136 N -3.97 5.10 0.33 1.62 1.01 -0.72 -4.55 116.67 115.49 3a3b s ASP 136 Ca 0.00 2.49 -0.23 0.00 0.71 0.00 0.00 52.55 55.52 3a3b s ASP 136 Cb 0.00 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 3a3b s ASP 136 CO 0.00 -1.66 0.89 -1.00 0.21 0.00 0.00 175.17 173.60 3a3b s HIS 137 N -1.50 3.56 -0.05 4.23 3.76 -1.26 -1.10 115.29 122.92 3a3b s HIS 137 Ca 0.77 1.62 -0.07 0.00 -0.15 0.00 0.00 55.06 57.23 3a3b s HIS 137 Cb -0.33 -2.81 0.01 0.00 1.11 0.00 0.00 32.58 30.56 3a3b s HIS 137 CO 0.36 0.14 0.18 -1.50 -0.85 0.00 0.00 174.74 173.08 3a3b s ILE 138 N -1.77 0.02 -0.20 0.60 2.07 -0.41 -4.32 121.20 117.19 3a3b s ILE 138 Ca 0.52 -0.18 -0.17 0.00 -1.41 0.00 0.00 60.65 59.41 3a3b s ILE 138 Cb -0.15 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 3a3b s ILE 138 CO 0.20 -0.10 0.46 -0.83 -1.91 0.00 0.00 174.94 172.76 3a3b s GLY 139 N -0.29 2.10 -0.21 1.50 0.00 -0.14 -1.95 107.32 108.33 3a3b s GLY 139 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 44.72 44.23 3a3b s GLY 139 CO 0.01 0.93 -0.14 -0.42 0.00 0.00 0.00 173.10 173.48 3a3b s ILE 140 N 1.41 2.47 -1.57 0.90 -1.09 -0.10 -0.91 121.20 122.31 3a3b s ILE 140 Ca 0.22 -0.95 -0.19 0.00 -2.23 0.00 0.00 60.65 57.50 3a3b s ILE 140 Cb -0.15 -2.14 0.18 0.00 -1.58 0.00 0.00 42.46 38.77 3a3b s ILE 140 CO 0.09 0.39 0.56 0.59 -1.23 0.00 0.00 174.94 175.34 3a3b n ASN 141 N 4.64 -2.18 0.00 3.58 3.02 0.34 -1.05 115.26 123.61 3a3b n ASN 141 Ca -0.19 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3a3b n ASN 141 Cb 0.49 -1.87 0.00 0.00 -0.61 0.00 0.00 39.78 37.79 3a3b n ASN 141 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a3b n GLY 142 N -1.06 0.79 3.58 7.41 0.00 -1.24 -3.49 105.19 111.17 3a3b n GLY 142 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3a3b n GLY 142 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3b s VAL 143 N -2.95 5.17 -0.25 1.61 1.01 -0.22 -4.10 120.40 120.68 3a3b s VAL 143 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 3a3b s VAL 143 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 3a3b s VAL 143 CO 0.00 0.06 0.16 -0.55 0.00 0.00 0.00 175.10 174.78 3a3b s SER 144 N 1.68 6.04 0.19 3.32 0.15 -0.22 -0.92 113.70 123.94 3a3b s SER 144 Ca 0.14 0.07 -0.17 0.00 0.70 0.00 0.00 55.95 56.68 3a3b s SER 144 Cb -0.16 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 3a3b s SER 144 CO 0.11 0.04 0.51 -1.00 1.20 0.00 0.00 173.24 174.09 3a3b s HIS 145 N 1.24 -0.12 0.49 3.44 3.76 -0.82 -4.90 115.29 118.37 3a3b s HIS 145 Ca 0.07 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.66 3a3b s HIS 145 Cb -0.14 0.37 -0.05 0.00 1.11 0.00 0.00 32.58 33.87 3a3b s HIS 145 CO 0.06 -0.90 0.86 -1.54 -0.85 0.00 0.00 174.74 172.37 3a3b s SER 146 N -2.87 6.39 -0.15 1.40 1.04 -1.26 -1.28 113.70 116.96 3a3b s SER 146 Ca 0.09 1.19 -0.17 0.00 0.48 0.00 0.00 55.95 57.54 3a3b s SER 146 Cb -0.01 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3a3b s SER 146 CO -0.04 -0.58 0.45 -0.63 0.98 0.00 0.00 173.24 173.42 3a3b s ILE 147 N -2.69 5.19 0.03 -1.02 1.01 -0.26 -4.66 121.20 118.80 3a3b s ILE 147 Ca 0.52 0.85 -0.18 0.00 0.00 0.00 0.00 60.65 61.84 3a3b s ILE 147 Cb -0.10 -3.78 -0.19 0.00 0.01 0.00 0.00 42.46 38.39 3a3b s ILE 147 CO 0.40 0.29 1.20 -0.08 0.00 0.00 0.00 174.94 176.76 3a3b h GLU 148 N 6.98 0.48 -2.70 2.79 4.57 -1.09 0.27 114.58 125.88 3a3b h GLU 148 Ca -0.39 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.30 3a3b h GLU 148 Cb 1.17 0.09 -0.18 0.00 -0.16 0.00 0.00 28.75 29.66 3a3b h GLU 148 CO 0.75 1.04 -0.06 -2.00 -1.18 0.00 0.00 179.01 177.56 3a3b s GLU 149 N -3.60 0.88 -0.07 1.92 2.12 -1.18 -4.59 118.70 114.18 3a3b s GLU 149 Ca -0.13 -0.10 0.03 0.00 0.36 0.00 0.00 54.97 55.13 3a3b s GLU 149 Cb 0.05 0.40 0.01 0.00 0.26 0.00 0.00 34.13 34.85 3a3b s GLU 149 CO 0.82 -0.28 -0.16 -1.50 -0.54 0.00 0.00 175.26 173.60 3a3b s ILE 150 N -1.68 1.43 -0.15 -3.70 2.07 -1.26 -0.62 121.20 117.29 3a3b s ILE 150 Ca -0.10 -0.67 -0.01 0.00 -1.41 0.00 0.00 60.65 58.46 3a3b s ILE 150 Cb -0.02 -1.27 0.04 0.00 0.13 0.00 0.00 42.46 41.34 3a3b s ILE 150 CO 0.04 0.42 -0.02 -0.94 -1.91 0.00 0.00 174.94 172.52 3a3b s SER 151 N 0.45 2.53 1.44 4.50 1.04 -0.81 -4.92 113.70 117.93 3a3b s SER 151 Ca -0.14 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3a3b s SER 151 Cb -0.15 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.23 3a3b s SER 151 CO 0.05 -0.21 0.00 0.47 0.98 0.00 0.00 173.24 174.53 3a3b n ASP 152 N 4.98 0.00 -0.86 7.02 8.00 -1.26 -1.94 116.55 132.49 3a3b n ASP 152 Ca -0.10 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.47 3a3b n ASP 152 Cb 0.48 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.79 3a3b n ASP 152 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a3b n ASP 153 N 5.82 2.48 -4.47 -2.24 5.75 -1.26 -4.88 116.55 117.76 3a3b n ASP 153 Ca 0.00 -2.01 -0.35 0.00 -0.01 0.00 0.00 54.79 52.42 3a3b n ASP 153 Cb 0.00 -0.31 -0.12 0.00 -1.03 0.00 0.00 41.12 39.65 3a3b n ASP 153 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3a3b s ILE 154 N -1.40 4.11 0.08 2.12 -1.09 -0.82 -0.31 121.20 123.89 3a3b s ILE 154 Ca 0.31 -0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.51 3a3b s ILE 154 Cb 0.16 -2.87 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 3a3b s ILE 154 CO 0.21 0.41 0.01 0.27 -1.23 0.00 0.00 174.94 174.61 3a3b s ILE 155 N 1.06 4.07 -0.21 2.92 -4.36 0.86 -1.93 121.20 123.62 3a3b s ILE 155 Ca 0.03 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.46 3a3b s ILE 155 Cb -0.14 -2.94 0.01 0.00 1.25 0.00 0.00 42.46 40.64 3a3b s ILE 155 CO 0.02 0.13 -0.12 0.12 0.24 0.00 0.00 174.94 175.33 3a3b s PHE 156 N -1.31 2.91 -0.07 1.37 5.36 0.21 -0.48 117.98 125.98 3a3b s PHE 156 Ca 0.26 -1.44 0.05 0.00 -0.96 0.00 0.00 56.93 54.84 3a3b s PHE 156 Cb -0.12 -2.01 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 3a3b s PHE 156 CO 0.18 -0.72 -0.25 0.42 -1.46 0.00 0.00 175.22 173.40 3a3b s ILE 157 N 1.35 2.06 -0.43 3.12 1.01 0.58 -0.43 121.20 128.46 3a3b s ILE 157 Ca 0.04 -1.05 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 3a3b s ILE 157 Cb -0.14 -1.75 0.11 0.00 0.01 0.00 0.00 42.46 40.69 3a3b s ILE 157 CO -0.08 0.57 0.25 0.21 0.00 0.00 0.00 174.94 175.89 3a3b s ASN 158 N -0.01 5.40 0.14 3.58 3.84 -1.26 -0.90 114.94 125.73 3a3b s ASN 158 Ca -0.08 -2.00 -0.12 0.00 0.21 0.00 0.00 52.86 50.87 3a3b s ASN 158 Cb -0.15 -1.89 -0.07 0.00 -0.55 0.00 0.00 41.25 38.60 3a3b s ASN 158 CO 0.05 -0.59 0.49 -0.31 -2.79 0.00 0.00 177.10 173.95 3a3b s TYR 159 N 1.20 3.56 0.26 0.43 2.02 0.45 -4.92 117.35 120.36 3a3b s TYR 159 Ca 0.08 0.92 -0.30 0.00 -0.37 0.00 0.00 57.07 57.40 3a3b s TYR 159 Cb -0.24 -2.27 -0.10 0.00 -0.40 0.00 0.00 41.96 38.95 3a3b s TYR 159 CO -0.03 0.43 1.41 -1.25 -1.57 0.00 0.00 175.55 174.54 3a3b s PRO 160 N -2.11 4.29 0.48 -1.71 0.04 -1.26 -0.03 135.00 134.70 3a3b s PRO 160 Ca 0.38 2.27 0.18 0.00 0.04 0.00 0.00 61.00 63.87 3a3b s PRO 160 Cb -0.14 -3.11 1.18 0.00 0.04 0.00 0.00 34.50 32.47 3a3b s PRO 160 CO 0.19 -0.37 2.05 -0.22 0.04 0.00 0.00 177.00 178.69 3a3b h LYS 161 N 4.76 0.00 0.00 4.56 3.64 -1.18 -2.18 116.57 126.16 3a3b h LYS 161 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3a3b h LYS 161 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3a3b h LYS 161 CO 0.75 0.13 0.05 -2.95 -2.27 0.00 0.00 179.45 175.17 3a3b h ASN 162 N 0.00 0.00 0.29 4.20 7.08 -1.91 -1.14 115.58 124.10 3a3b h ASN 162 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3a3b h ASN 162 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 3a3b h ASN 162 CO 0.02 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.55 3a3b n LEU 163 N -2.63 0.55 0.12 6.14 4.77 -0.82 -2.34 117.00 122.79 3a3b n LEU 163 Ca -0.02 0.70 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 3a3b n LEU 163 Cb 0.10 -0.71 0.46 0.00 -2.33 0.00 0.00 43.42 40.94 3a3b n LEU 163 CO 0.14 -0.76 0.87 -1.20 -1.33 0.00 0.00 177.39 175.11 3a3b n SER 164 N -2.18 0.75 0.08 -1.43 7.64 -0.43 -2.50 113.62 115.55 3a3b n SER 164 Ca 0.00 0.63 -0.08 0.00 1.01 0.00 0.00 58.87 60.43 3a3b n SER 164 Cb 0.11 -0.81 -0.07 0.00 -1.01 0.00 0.00 64.21 62.43 3a3b n SER 164 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 3a3b h ILE 165 N 0.00 1.63 -0.02 0.44 3.07 -1.71 -3.31 117.51 117.61 3a3b h ILE 165 Ca 0.00 -3.12 0.00 0.00 1.55 0.00 0.00 64.86 63.29 3a3b h ILE 165 Cb 0.52 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.80 3a3b h ILE 165 CO 0.00 0.89 -0.12 0.35 -1.05 0.00 0.00 178.15 178.23 3a3b n THR 166 N -3.47 0.00 -4.37 0.16 -2.24 -1.18 -4.80 114.28 98.38 3a3b n THR 166 Ca -0.02 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 3a3b n THR 166 Cb 0.90 1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 70.37 3a3b n THR 166 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a3b s THR 167 N -1.67 0.19 -2.37 4.28 -4.23 -1.04 -3.22 115.64 107.58 3a3b s THR 167 Ca 0.19 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.92 3a3b s THR 167 Cb 0.15 -2.43 0.44 0.00 1.34 0.00 0.00 72.50 72.00 3a3b s THR 167 CO 0.29 0.00 1.45 -0.46 -0.54 0.00 0.00 174.62 175.36 3a3b n ASN 168 N -1.50 2.79 -0.23 3.99 0.23 -1.26 -4.60 115.26 114.68 3a3b n ASN 168 Ca 0.03 -1.90 0.13 0.00 -0.53 0.00 0.00 54.58 52.31 3a3b n ASN 168 Cb 0.63 -0.21 0.42 0.00 -2.08 0.00 0.00 39.78 38.54 3a3b n ASN 168 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3a3b h LEU 169 N 3.57 0.56 -0.69 -4.53 4.07 -1.89 -0.58 115.31 115.83 3a3b h LEU 169 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3a3b h LEU 169 Cb 0.79 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3a3b h LEU 169 CO 0.00 0.29 0.00 0.61 -1.08 0.00 0.00 178.44 178.26 3a3b n GLY 170 N -1.46 -1.28 0.46 0.83 0.00 -1.26 -2.59 105.19 99.89 3a3b n GLY 170 Ca 0.16 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.40 3a3b n GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a3b n THR 171 N -2.23 0.00 -3.02 2.61 -2.24 -0.23 -4.95 114.28 104.21 3a3b n THR 171 Ca 0.02 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 3a3b n THR 171 Cb 0.23 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.92 3a3b n THR 171 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a3b s LEU 172 N -2.07 4.43 0.24 3.22 1.43 -1.07 -5.09 118.68 119.77 3a3b s LEU 172 Ca 0.36 1.54 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 3a3b s LEU 172 Cb 0.21 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 3a3b s LEU 172 CO 0.36 0.09 0.21 -1.83 0.23 0.00 0.00 176.35 175.41 3a3b s GLU 173 N -1.67 1.38 0.14 1.70 -1.05 -1.26 -4.95 118.70 112.98 3a3b s GLU 173 Ca 0.41 -1.67 -0.35 0.00 -0.15 0.00 0.00 54.97 53.21 3a3b s GLU 173 Cb -0.19 0.31 -0.16 0.00 -0.44 0.00 0.00 34.13 33.65 3a3b s GLU 173 CO 0.23 -0.49 1.29 1.17 0.95 0.00 0.00 175.26 178.42 3a3b n LYS 174 N -0.36 1.29 0.00 -4.83 4.81 -1.26 -0.57 118.16 117.24 3a3b n LYS 174 Ca 0.03 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3a3b n LYS 174 Cb 0.65 -2.06 0.00 0.00 0.02 0.00 0.00 35.03 33.64 3a3b n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a3b n GLY 175 N 2.37 1.56 3.71 3.14 0.00 -0.48 -5.00 105.19 110.50 3a3b n GLY 175 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3a3b n GLY 175 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a3b n SER 176 N 0.00 3.95 -4.88 1.61 7.64 0.27 -4.76 113.62 117.45 3a3b n SER 176 Ca 0.00 1.04 -0.31 0.00 1.01 0.00 0.00 58.87 60.61 3a3b n SER 176 Cb 0.00 -1.56 -0.05 0.00 -1.01 0.00 0.00 64.21 61.59 3a3b n SER 176 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3a3b s ASP 177 N 1.53 6.60 0.04 6.43 1.01 -1.26 0.25 116.67 131.26 3a3b s ASP 177 Ca 0.77 0.91 0.01 0.00 0.71 0.00 0.00 52.55 54.95 3a3b s ASP 177 Cb -0.51 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.17 3a3b s ASP 177 CO 0.34 -0.10 -0.05 0.68 0.21 0.00 0.00 175.17 176.24 3a3b s VAL 178 N -1.87 0.33 -0.03 -1.27 -7.23 -0.23 -4.92 120.40 105.18 3a3b s VAL 178 Ca 0.47 -1.08 -0.28 0.00 -1.81 0.00 0.00 61.98 59.28 3a3b s VAL 178 Cb -0.11 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 3a3b s VAL 178 CO 0.22 -0.49 0.88 0.20 -0.31 0.00 0.00 175.10 175.61 3a3b s ASN 179 N -1.67 7.23 -0.08 4.85 0.01 -1.26 -1.15 114.94 122.87 3a3b s ASN 179 Ca -0.11 1.49 0.02 0.00 -0.71 0.00 0.00 52.86 53.55 3a3b s ASN 179 Cb -0.08 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3a3b s ASN 179 CO -0.01 -0.22 -0.11 0.54 -1.51 0.00 0.00 177.10 175.79 3a3b s VAL 180 N 0.99 3.29 -0.21 1.60 0.11 -0.02 -0.51 120.40 125.65 3a3b s VAL 180 Ca 0.47 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3a3b s VAL 180 Cb -0.20 -2.33 0.04 0.00 -1.53 0.00 0.00 36.38 32.37 3a3b s VAL 180 CO 0.24 0.58 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.75 3a3b s GLU 181 N -0.49 2.36 0.31 1.54 2.12 -0.09 -0.62 118.70 123.84 3a3b s GLU 181 Ca 0.07 -1.00 -0.26 0.00 0.36 0.00 0.00 54.97 54.14 3a3b s GLU 181 Cb -0.12 -2.61 -0.10 0.00 0.26 0.00 0.00 34.13 31.56 3a3b s GLU 181 CO 0.02 -0.41 0.93 0.95 -0.54 0.00 0.00 175.26 176.20 3a3b s THR 182 N 1.27 4.23 0.41 -1.70 -4.23 -1.26 -0.97 115.64 113.39 3a3b s THR 182 Ca -0.02 1.80 0.08 0.00 -1.18 0.00 0.00 61.69 62.36 3a3b s THR 182 Cb -0.17 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.63 3a3b s THR 182 CO -0.08 0.16 0.28 -0.76 -0.54 0.00 0.00 174.62 173.68 3a3b s LEU 183 N -2.01 3.29 0.00 4.79 1.43 -1.26 -4.97 118.68 119.95 3a3b s LEU 183 Ca 0.49 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3a3b s LEU 183 Cb -0.19 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3a3b s LEU 183 CO 0.24 -0.58 0.00 0.59 0.23 0.00 0.00 176.35 176.83