#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 2.31 -0.39 2.03 0.08 0.46 -4.59 117.98 117.88 3a3b s PHE 2 Ca 0.00 -0.50 0.23 0.00 0.12 0.00 0.00 56.93 56.78 3a3b s PHE 2 Cb 0.00 -1.28 0.19 0.00 -0.57 0.00 0.00 43.02 41.36 3a3b s PHE 2 CO 0.00 0.56 1.28 0.87 -0.10 0.00 0.00 175.22 177.83 3a3b h LYS 3 N 2.10 0.00 -0.88 0.44 1.57 -1.92 -0.26 116.57 117.63 3a3b h LYS 3 Ca -0.41 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.22 3a3b h LYS 3 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3a3b h LYS 3 CO 0.68 0.00 -0.18 0.41 -0.57 0.00 0.00 179.45 179.80 3a3b n GLY 4 N 1.20 0.28 3.12 3.86 0.00 -1.26 -4.61 105.19 107.77 3a3b n GLY 4 Ca 0.02 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.34 2.54 0.11 -0.61 1.01 -1.26 -1.46 121.20 119.19 3a3b s ILE 5 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 60.65 58.85 3a3b s ILE 5 Cb 0.00 -2.46 -0.08 0.00 0.01 0.00 0.00 42.46 39.94 3a3b s ILE 5 CO 0.00 -0.04 1.36 -0.69 0.00 0.00 0.00 174.94 175.58 3a3b s VAL 6 N 1.18 3.37 -0.25 2.92 1.01 -1.26 -4.85 120.40 122.52 3a3b s VAL 6 Ca -0.07 1.00 0.22 0.00 0.00 0.00 0.00 61.98 63.13 3a3b s VAL 6 Cb -0.20 -3.64 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 3a3b s VAL 6 CO -0.04 0.08 0.85 0.00 0.00 0.00 0.00 175.10 175.99 3a3b n GLN 7 N 3.85 0.56 -3.80 2.72 6.02 -0.09 -4.97 117.38 121.66 3a3b n GLN 7 Ca 0.11 -0.01 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 3a3b n GLN 7 Cb 0.43 -1.67 0.01 0.00 1.02 0.00 0.00 30.24 30.02 3a3b n GLN 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3a3b s GLY 8 N -4.26 -0.31 -0.05 1.08 0.00 -1.19 -5.02 107.32 97.57 3a3b s GLY 8 Ca -0.02 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.19 3a3b s GLY 8 CO 0.83 3.29 -0.17 0.00 0.00 0.00 0.00 173.10 177.06 3a3b s ALA 9 N -2.10 2.55 0.27 3.20 0.00 -1.26 -0.51 121.76 123.90 3a3b s ALA 9 Ca 0.23 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.26 3a3b s ALA 9 Cb 0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3a3b s ALA 9 CO -0.04 0.53 0.16 0.20 0.00 0.00 0.00 175.76 176.62 3a3b s GLY 10 N -0.63 1.52 -0.13 0.00 0.00 0.93 -4.38 107.32 104.63 3a3b s GLY 10 Ca 0.09 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.33 3a3b s GLY 10 CO 0.01 -1.54 -0.22 -0.42 0.00 0.00 0.00 173.10 170.93 3a3b s ILE 11 N -2.21 2.00 0.01 0.90 -1.09 -0.91 -0.42 121.20 119.48 3a3b s ILE 11 Ca 0.34 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.50 3a3b s ILE 11 Cb -0.07 -1.76 -0.06 0.00 -1.58 0.00 0.00 42.46 38.98 3a3b s ILE 11 CO 0.24 0.54 1.53 -0.63 -1.23 0.00 0.00 174.94 175.39 3a3b s ILE 12 N 0.72 3.45 -0.21 2.92 1.01 -0.61 -0.40 121.20 128.08 3a3b s ILE 12 Ca -0.10 0.82 0.11 0.00 0.00 0.00 0.00 60.65 61.48 3a3b s ILE 12 Cb -0.16 -3.53 -0.22 0.00 0.01 0.00 0.00 42.46 38.56 3a3b s ILE 12 CO 0.01 -0.01 -0.01 1.17 0.00 0.00 0.00 174.94 176.09 3a3b n LYS 13 N 5.74 0.67 -3.74 2.79 4.81 0.21 -0.40 118.16 128.25 3a3b n LYS 13 Ca 0.15 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 3a3b n LYS 13 Cb 0.42 -1.54 -0.10 0.00 0.02 0.00 0.00 35.03 33.84 3a3b n LYS 13 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3a3b s LYS 14 N -2.51 0.52 -0.13 1.64 1.02 -0.95 -4.87 119.74 114.47 3a3b s LYS 14 Ca -0.20 0.40 -0.00 0.00 0.02 0.00 0.00 55.97 56.19 3a3b s LYS 14 Cb 0.07 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 3a3b s LYS 14 CO 0.74 -0.09 -0.08 0.42 -0.92 0.00 0.00 175.35 175.42 3a3b s ILE 15 N -0.12 1.13 -0.27 2.17 1.01 -1.26 -1.44 121.20 122.42 3a3b s ILE 15 Ca -0.03 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.07 3a3b s ILE 15 Cb -0.03 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3a3b s ILE 15 CO 0.02 0.34 0.36 -0.44 0.00 0.00 0.00 174.94 175.22 3a3b s SER 16 N 1.66 6.25 -0.37 3.58 0.01 0.11 -4.95 113.70 119.99 3a3b s SER 16 Ca 0.04 0.28 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 3a3b s SER 16 Cb -0.13 -2.21 0.07 0.00 0.21 0.00 0.00 66.02 63.96 3a3b s SER 16 CO -0.09 -0.17 0.15 -0.54 0.41 0.00 0.00 173.24 173.00 3a3b s LYS 17 N 2.01 2.44 0.00 12.44 1.02 -1.26 -0.17 119.74 136.21 3a3b s LYS 17 Ca 0.15 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.72 3a3b s LYS 17 Cb -0.16 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 3a3b s LYS 17 CO 0.10 -0.83 0.00 0.09 -0.92 0.00 0.00 175.35 173.79 3a3b n ASN 18 N 4.75 0.39 -4.51 2.83 3.02 -0.49 -5.03 115.26 116.21 3a3b n ASN 18 Ca -0.10 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.03 3a3b n ASN 18 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 3a3b n ASN 18 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3a3b s ASP 19 N -0.42 6.36 0.00 6.41 3.84 -1.26 -4.12 116.67 127.48 3a3b s ASP 19 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 52.55 51.37 3a3b s ASP 19 Cb 0.00 -2.50 0.00 0.00 -1.38 0.00 0.00 42.92 39.04 3a3b s ASP 19 CO 0.00 -1.51 0.00 0.47 -0.00 0.00 0.00 175.17 174.13 3a3b n ASP 20 N 8.35 0.00 -4.39 2.11 9.92 -1.26 -4.96 116.55 126.32 3a3b n ASP 20 Ca 0.15 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.13 3a3b n ASP 20 Cb 0.49 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.84 3a3b n ASP 20 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3a3b s THR 21 N -2.66 2.27 0.02 -3.53 2.01 -1.26 -4.77 115.64 107.72 3a3b s THR 21 Ca 0.00 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.23 3a3b s THR 21 Cb 0.00 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3a3b s THR 21 CO 0.00 0.05 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.78 3a3b s GLN 22 N -2.16 0.72 -0.18 4.92 -0.21 -0.47 -1.40 119.66 120.87 3a3b s GLN 22 Ca 0.15 -0.55 -0.05 0.00 0.02 0.00 0.00 55.36 54.94 3a3b s GLN 22 Cb -0.10 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.22 3a3b s GLN 22 CO 0.07 0.17 -0.01 0.50 -2.12 0.00 0.00 175.29 173.90 3a3b s ARG 23 N -0.81 3.66 -0.14 2.91 3.52 0.76 0.49 118.95 129.35 3a3b s ARG 23 Ca -0.00 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3a3b s ARG 23 Cb -0.06 -3.04 -0.02 0.00 -1.56 0.00 0.00 34.95 30.27 3a3b s ARG 23 CO 0.00 0.11 -0.09 -1.01 -0.81 0.00 0.00 175.30 173.50 3a3b s HIS 24 N 0.75 2.91 -0.22 5.12 3.76 0.07 0.09 115.29 127.76 3a3b s HIS 24 Ca -0.00 -0.46 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 3a3b s HIS 24 Cb -0.14 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 3a3b s HIS 24 CO 0.02 -0.11 0.05 0.20 -0.85 0.00 0.00 174.74 174.05 3a3b s GLY 25 N 0.30 1.77 -0.14 -2.22 0.00 -0.52 -1.08 107.32 105.41 3a3b s GLY 25 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3a3b s GLY 25 CO 0.04 0.37 -0.14 -0.42 0.00 0.00 0.00 173.10 172.95 3a3b s ILE 26 N 1.23 1.52 0.04 0.90 1.01 -0.18 0.65 121.20 126.37 3a3b s ILE 26 Ca 0.04 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 3a3b s ILE 26 Cb -0.15 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.82 3a3b s ILE 26 CO 0.03 0.45 1.54 -0.89 0.00 0.00 0.00 174.94 176.06 3a3b s THR 27 N 1.45 3.32 0.07 2.92 2.01 0.47 -0.99 115.64 124.89 3a3b s THR 27 Ca 0.04 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.83 3a3b s THR 27 Cb -0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3a3b s THR 27 CO -0.10 0.00 0.06 -0.36 -0.69 0.00 0.00 174.62 173.53 3a3b s PHE 28 N 2.46 3.14 0.53 4.92 0.40 0.46 -2.15 117.98 127.74 3a3b s PHE 28 Ca 0.69 0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.87 3a3b s PHE 28 Cb -0.36 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.50 3a3b s PHE 28 CO 0.30 0.51 1.26 -1.25 0.70 0.00 0.00 175.22 176.74 3a3b s PRO 29 N -2.26 3.31 0.26 0.24 0.04 -1.26 -4.74 135.00 130.59 3a3b s PRO 29 Ca 0.27 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.29 3a3b s PRO 29 Cb -0.12 -2.24 0.44 0.00 0.04 0.00 0.00 34.50 32.62 3a3b s PRO 29 CO 0.20 -0.98 1.84 -0.22 0.04 0.00 0.00 177.00 177.88 3a3b h LYS 30 N 1.54 0.96 -0.70 4.56 3.11 -1.98 0.84 116.57 124.90 3a3b h LYS 30 Ca -0.50 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.24 3a3b h LYS 30 Cb 1.28 -0.22 -0.03 0.00 -1.00 0.00 0.00 32.23 32.26 3a3b h LYS 30 CO 0.58 0.64 0.26 0.38 -2.81 0.00 0.00 179.45 178.50 3a3b h ASP 31 N 0.99 0.96 0.08 4.20 2.03 -2.00 -1.65 116.42 121.03 3a3b h ASP 31 Ca 0.44 -0.15 -0.22 0.00 -0.73 0.00 0.00 57.03 56.37 3a3b h ASP 31 Cb 0.32 -0.25 0.02 0.00 -0.83 0.00 0.00 39.33 38.59 3a3b h ASP 31 CO -0.22 0.86 -0.92 0.40 -1.03 0.00 0.00 179.24 178.33 3a3b h ILE 32 N 1.02 1.39 -0.68 4.15 2.04 -1.83 -3.31 117.51 120.28 3a3b h ILE 32 Ca 0.23 -2.35 0.14 0.00 1.00 0.00 0.00 64.86 63.89 3a3b h ILE 32 Cb 0.22 2.78 -0.10 0.00 -0.74 0.00 0.00 36.82 38.97 3a3b h ILE 32 CO -0.02 0.69 0.17 0.25 0.00 0.00 0.00 178.15 179.25 3a3b h LEU 33 N -0.00 0.04 -0.36 1.44 5.85 -0.62 -1.44 115.31 120.22 3a3b h LEU 33 Ca -0.14 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3a3b h LEU 33 Cb 1.65 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3a3b h LEU 33 CO 0.18 0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.33 3a3b h GLU 34 N 0.29 0.00 -0.01 1.25 4.11 -1.43 -2.80 114.58 115.99 3a3b h GLU 34 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 3a3b h GLU 34 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3a3b h GLU 34 CO -0.45 0.00 -0.20 -1.13 0.07 0.00 0.00 179.01 177.30 3a3b n SER 35 N -2.36 1.18 -4.58 3.06 3.41 -0.55 -4.94 113.62 108.84 3a3b n SER 35 Ca 0.04 -1.06 -0.24 0.00 -0.26 0.00 0.00 58.87 57.35 3a3b n SER 35 Cb 0.35 0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 -2.38 2.84 0.22 -3.33 -7.23 -1.06 -5.11 120.40 104.36 3a3b s VAL 36 Ca 0.27 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 3a3b s VAL 36 Cb 0.20 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 3a3b s VAL 36 CO 0.48 -0.33 0.38 -1.83 -0.31 0.00 0.00 175.10 173.49 3a3b s GLU 37 N -3.63 1.41 0.10 4.82 -1.05 -1.26 -5.00 118.70 114.09 3a3b s GLU 37 Ca 0.32 -1.30 -0.35 0.00 -0.15 0.00 0.00 54.97 53.49 3a3b s GLU 37 Cb -0.04 0.42 -0.15 0.00 -0.44 0.00 0.00 34.13 33.92 3a3b s GLU 37 CO 0.18 -0.56 1.53 1.63 0.95 0.00 0.00 175.26 179.00 3a3b n LYS 38 N -0.33 1.79 0.00 -4.83 5.02 -1.26 -1.39 118.16 117.16 3a3b n LYS 38 Ca -0.02 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3a3b n LYS 38 Cb 0.63 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 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 3.24 2.25 3.74 0.72 0.00 -0.33 -4.98 105.19 109.83 3a3b n GLY 39 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3a3b n GLY 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a3b n THR 40 N -1.94 0.90 -3.82 2.61 -1.04 -0.49 -4.67 114.28 105.83 3a3b n THR 40 Ca 0.00 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.05 61.42 3a3b n THR 40 Cb 0.00 -1.92 -0.13 0.00 -1.82 0.00 0.00 70.33 66.45 3a3b n THR 40 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3a3b s VAL 41 N 0.12 3.83 0.28 12.58 1.01 -1.26 -1.08 120.40 135.88 3a3b s VAL 41 Ca 0.66 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3a3b s VAL 41 Cb -0.51 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 3a3b s VAL 41 CO 0.47 0.32 0.26 0.00 0.00 0.00 0.00 175.10 176.14 3a3b s MET 42 N 1.53 1.58 -0.19 2.72 0.23 -0.79 -4.61 119.30 119.77 3a3b s MET 42 Ca 0.05 -1.83 -0.11 0.00 -1.03 0.00 0.00 55.69 52.77 3a3b s MET 42 Cb -0.15 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.42 3a3b s MET 42 CO 0.00 -0.58 0.17 -0.51 -2.03 0.00 0.00 175.02 172.08 3a3b s LEU 43 N -3.27 4.21 -0.20 0.18 1.43 -0.12 -1.58 118.68 119.32 3a3b s LEU 43 Ca 0.38 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3a3b s LEU 43 Cb 0.04 -2.16 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3a3b s LEU 43 CO 0.21 0.15 -0.14 -0.69 0.23 0.00 0.00 176.35 176.11 3a3b s VAL 44 N 0.44 1.89 -1.51 -1.59 1.01 -0.22 -1.31 120.40 119.12 3a3b s VAL 44 Ca 0.10 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.83 3a3b s VAL 44 Cb -0.12 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.48 3a3b s VAL 44 CO -0.00 0.25 0.77 0.59 0.00 0.00 0.00 175.10 176.71 3a3b n ASN 45 N 4.61 -4.12 0.00 3.32 3.02 0.51 -1.35 115.26 121.24 3a3b n ASN 45 Ca -0.17 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 3a3b n ASN 45 Cb 0.47 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 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 -1.44 1.52 3.71 7.41 0.00 -1.20 -3.78 105.19 111.40 3a3b n GLY 46 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 0.63 6.56 0.03 0.00 0.01 -0.18 -1.05 113.70 119.69 3a3b s SER 48 Ca 0.11 2.46 -0.02 0.00 1.31 0.00 0.00 55.95 59.81 3a3b s SER 48 Cb -0.12 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 3a3b s SER 48 CO 0.02 -0.98 0.01 -0.76 0.41 0.00 0.00 173.24 171.94 3a3b s LEU 49 N 4.01 2.16 -0.16 2.44 1.43 -0.61 -4.98 118.68 122.96 3a3b s LEU 49 Ca 0.80 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 53.28 3a3b s LEU 49 Cb -0.38 0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.06 3a3b s LEU 49 CO 0.35 -0.40 -0.03 -0.89 0.23 0.00 0.00 176.35 175.61 3a3b s THR 50 N -2.14 3.91 0.07 5.49 2.01 -1.26 -1.88 115.64 121.84 3a3b s THR 50 Ca -0.09 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 3a3b s THR 50 Cb -0.05 -2.72 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 3a3b s THR 50 CO -0.03 0.49 1.70 -0.69 -0.69 0.00 0.00 174.62 175.39 3a3b s VAL 51 N 0.40 2.96 -0.17 3.82 1.01 -0.24 -4.31 120.40 123.87 3a3b s VAL 51 Ca -0.04 0.40 0.16 0.00 0.00 0.00 0.00 61.98 62.50 3a3b s VAL 51 Cb -0.14 -3.26 -0.24 0.00 0.00 0.00 0.00 36.38 32.74 3a3b s VAL 51 CO 0.03 -0.00 0.17 1.33 0.00 0.00 0.00 175.10 176.62 3a3b n VAL 52 N 4.79 1.44 -3.50 2.92 0.24 0.74 -1.18 118.33 123.76 3a3b n VAL 52 Ca 0.16 -0.84 -0.16 0.00 -2.04 0.00 0.00 64.34 61.46 3a3b n VAL 52 Cb 0.40 -0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.51 1.07 -0.07 7.34 1.70 -1.23 -4.86 118.95 120.39 3a3b s ARG 53 Ca -0.10 0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.29 3a3b s ARG 53 Cb 0.06 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.96 3a3b s ARG 53 CO 0.82 -0.36 -0.14 0.42 -1.08 0.00 0.00 175.30 174.96 3a3b s ILE 54 N -1.70 1.28 -0.26 4.99 1.01 -1.26 -0.48 121.20 124.79 3a3b s ILE 54 Ca -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3a3b s ILE 54 Cb -0.00 -1.15 0.08 0.00 0.01 0.00 0.00 42.46 41.40 3a3b s ILE 54 CO 0.05 0.39 0.05 -0.55 0.00 0.00 0.00 174.94 174.88 3a3b s SER 55 N 0.58 3.58 1.79 3.58 0.15 -0.22 -5.00 113.70 118.16 3a3b s SER 55 Ca -0.15 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.24 3a3b s SER 55 Cb -0.16 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.35 3a3b s SER 55 CO 0.04 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3a3b n GLY 56 N 4.90 3.68 1.15 9.45 0.00 -1.26 -2.12 105.19 121.00 3a3b n GLY 56 Ca -0.06 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 8.00 3.34 -4.53 1.61 5.68 -1.26 -4.89 116.55 124.50 3a3b n ASP 57 Ca 0.00 -2.02 -0.37 0.00 -0.50 0.00 0.00 54.79 51.90 3a3b n ASP 57 Cb 0.00 -0.42 -0.12 0.00 -1.14 0.00 0.00 41.12 39.45 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 -1.21 4.81 -0.14 2.12 1.01 -0.90 -0.40 120.40 125.69 3a3b s VAL 58 Ca 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 3a3b s VAL 58 Cb 0.22 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3a3b s VAL 58 CO 0.28 0.31 -0.10 -0.69 0.00 0.00 0.00 175.10 174.90 3a3b s VAL 59 N 1.55 3.30 -0.05 2.92 1.01 -0.16 -1.06 120.40 127.92 3a3b s VAL 59 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3a3b s VAL 59 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3a3b s VAL 59 CO 0.07 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.31 3a3b s TYR 60 N 0.41 2.97 0.01 5.22 2.02 0.37 -1.01 117.35 127.33 3a3b s TYR 60 Ca -0.08 0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3a3b s TYR 60 Cb -0.15 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3a3b s TYR 60 CO 0.04 0.37 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.25 3a3b s PHE 61 N -0.87 0.70 -0.25 2.71 0.08 -0.24 -0.19 117.98 119.92 3a3b s PHE 61 Ca 0.14 -0.20 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 3a3b s PHE 61 Cb -0.11 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.86 3a3b s PHE 61 CO 0.03 -0.02 0.42 -0.51 -0.10 0.00 0.00 175.22 175.05 3a3b s ASP 62 N -0.48 6.35 -0.42 1.36 1.01 -1.26 -0.75 116.67 122.48 3a3b s ASP 62 Ca 0.01 0.41 -0.16 0.00 0.71 0.00 0.00 52.55 53.51 3a3b s ASP 62 Cb -0.04 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 41.67 3a3b s ASP 62 CO -0.00 -0.19 0.36 -0.63 0.21 0.00 0.00 175.17 174.92 3a3b s ILE 63 N 1.98 5.18 0.00 0.77 -1.09 0.18 -4.84 121.20 123.38 3a3b s ILE 63 Ca 0.18 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.07 3a3b s ILE 63 Cb -0.16 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3a3b s ILE 63 CO 0.09 -0.37 0.00 -0.90 -1.23 0.00 0.00 174.94 172.54 3a3b n ASP 64 N 5.36 0.00 -0.31 3.58 5.68 -1.26 -1.37 116.55 128.23 3a3b n ASP 64 Ca -0.09 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.23 3a3b n ASP 64 Cb 0.47 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.68 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 1.02 0.00 0.11 4.15 -1.92 -1.63 115.11 116.85 3a3b h GLN 65 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3a3b h GLN 65 Cb 0.00 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.46 3a3b h GLN 65 CO 0.00 0.68 0.00 0.00 -1.93 0.00 0.00 178.83 177.58 3a3b n ALA 66 N -2.39 2.31 0.26 3.38 0.00 -1.26 -4.46 120.51 118.34 3a3b n ALA 66 Ca 0.14 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.59 3a3b n ALA 66 Cb 0.19 -1.43 0.68 0.00 0.00 0.00 0.00 19.45 18.89 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 0.00 0.48 -0.01 0.00 2.10 -1.57 -2.68 117.51 115.83 3a3b h ILE 67 Ca 0.00 -0.66 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3a3b h ILE 67 Cb 0.31 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3a3b h ILE 67 CO 0.00 0.13 -0.22 0.59 -1.08 0.00 0.00 178.15 177.57 3a3b n ASN 68 N -3.49 1.57 -0.06 2.19 4.13 -1.26 -4.31 115.26 114.02 3a3b n ASN 68 Ca -0.01 -1.29 0.01 0.00 1.68 0.00 0.00 54.58 54.97 3a3b n ASN 68 Cb 0.29 0.16 0.01 0.00 -1.54 0.00 0.00 39.78 38.70 3a3b n ASN 68 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3a3b n THR 69 N -0.11 0.48 -4.24 3.41 -2.24 -1.02 -4.97 114.28 105.61 3a3b n THR 69 Ca 0.13 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 3a3b n THR 69 Cb 0.40 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.56 0.00 -1.52 4.28 -4.23 -1.19 -3.76 115.64 108.66 3a3b s THR 70 Ca 0.02 -1.97 0.25 0.00 -1.18 0.00 0.00 61.69 58.81 3a3b s THR 70 Cb 0.02 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.48 3a3b s THR 70 CO 0.00 0.00 1.42 0.35 -0.54 0.00 0.00 174.62 175.85 3a3b n THR 71 N -0.48 0.00 -0.28 3.99 -2.24 -1.26 -4.47 114.28 109.55 3a3b n THR 71 Ca 0.05 -0.10 0.09 0.00 -2.27 0.00 0.00 64.05 61.82 3a3b n THR 71 Cb 0.64 0.50 0.23 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.92 0.46 0.00 4.78 0.04 -1.91 -1.03 116.94 120.20 3a3b h PHE 72 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3a3b h PHE 72 Cb 0.53 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3a3b h PHE 72 CO 0.00 -0.05 0.00 2.89 -0.60 0.00 0.00 178.31 180.55 3a3b n ARG 73 N -5.09 0.01 -0.03 1.51 1.85 -1.26 -1.59 116.66 112.06 3a3b n ARG 73 Ca 0.18 0.37 0.08 0.00 -1.00 0.00 0.00 57.85 57.48 3a3b n ARG 73 Cb 0.54 -1.52 0.09 0.00 -1.05 0.00 0.00 32.46 30.51 3a3b n ARG 73 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3a3b n GLU 74 N -1.54 1.47 -1.82 2.89 1.02 -0.40 -5.01 120.64 117.25 3a3b n GLU 74 Ca 0.02 -1.58 -0.31 0.00 -0.02 0.00 0.00 57.16 55.27 3a3b n GLU 74 Cb 0.09 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 30.21 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 -1.32 3.21 0.17 -4.62 1.43 -0.62 -5.07 118.68 111.86 3a3b s LEU 75 Ca 0.21 1.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 3a3b s LEU 75 Cb 0.14 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3a3b s LEU 75 CO 0.21 -0.98 -0.15 -1.61 0.23 0.00 0.00 176.35 174.05 3a3b s GLU 76 N -5.16 1.20 0.27 1.70 2.02 -1.26 -5.08 118.70 112.39 3a3b s GLU 76 Ca 0.56 -1.44 -0.29 0.00 0.02 0.00 0.00 54.97 53.82 3a3b s GLU 76 Cb -0.12 -1.06 -0.14 0.00 0.10 0.00 0.00 34.13 32.92 3a3b s GLU 76 CO 0.54 0.19 1.14 0.28 0.02 0.00 0.00 175.26 177.43 3a3b n VAL 77 N 0.05 1.63 0.00 2.63 0.31 -1.26 -1.57 118.33 120.11 3a3b n VAL 77 Ca -0.11 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3a3b n VAL 77 Cb 0.59 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 1.45 2.00 3.77 2.92 0.00 0.47 -4.97 105.19 110.82 3a3b n GLY 78 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.40 6.32 -0.11 1.61 0.01 -0.61 -4.66 114.94 115.11 3a3b s ASN 79 Ca 0.00 2.30 -0.15 0.00 -0.71 0.00 0.00 52.86 54.30 3a3b s ASN 79 Cb 0.00 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3a3b s ASN 79 CO 0.00 -0.81 0.37 -0.75 -1.51 0.00 0.00 177.10 174.41 3a3b s LYS 80 N -2.55 4.18 0.02 -0.60 2.20 -1.26 -1.58 119.74 120.16 3a3b s LYS 80 Ca 0.61 0.28 0.08 0.00 -0.36 0.00 0.00 55.97 56.58 3a3b s LYS 80 Cb -0.29 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 3a3b s LYS 80 CO 0.36 0.33 -0.25 0.14 -0.36 0.00 0.00 175.35 175.56 3a3b s VAL 81 N 0.13 2.00 0.19 4.02 -7.23 0.44 -4.81 120.40 115.14 3a3b s VAL 81 Ca 0.21 -1.24 -0.26 0.00 -1.81 0.00 0.00 61.98 58.88 3a3b s VAL 81 Cb -0.14 -1.70 -0.08 0.00 0.56 0.00 0.00 36.38 35.01 3a3b s VAL 81 CO 0.08 0.41 0.81 0.20 -0.31 0.00 0.00 175.10 176.29 3a3b s ASN 82 N -0.99 7.41 -0.03 4.85 0.01 -1.26 -0.05 114.94 124.88 3a3b s ASN 82 Ca 0.10 1.69 0.07 0.00 -0.71 0.00 0.00 52.86 54.01 3a3b s ASN 82 Cb -0.10 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3a3b s ASN 82 CO 0.01 0.18 -0.24 -0.76 -1.51 0.00 0.00 177.10 174.78 3a3b s LEU 83 N -1.25 2.04 -0.10 0.60 1.43 0.33 -0.36 118.68 121.38 3a3b s LEU 83 Ca 0.38 -0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3a3b s LEU 83 Cb -0.23 -1.24 0.05 0.00 0.03 0.00 0.00 46.19 44.80 3a3b s LEU 83 CO 0.27 0.28 0.22 -0.70 0.23 0.00 0.00 176.35 176.65 3a3b s GLU 84 N -0.47 0.18 -0.04 1.70 2.12 -0.42 -0.91 118.70 120.85 3a3b s GLU 84 Ca 0.07 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.83 3a3b s GLU 84 Cb -0.10 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 3a3b s GLU 84 CO -0.00 -0.17 0.23 0.08 -0.54 0.00 0.00 175.26 174.86 3a3b s VAL 85 N 1.31 5.36 0.70 3.70 1.01 -1.26 -0.95 120.40 130.27 3a3b s VAL 85 Ca -0.09 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 3a3b s VAL 85 Cb -0.11 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.77 3a3b s VAL 85 CO -0.08 0.46 1.23 -2.11 0.00 0.00 0.00 175.10 174.60 3a3b n ARG 86 N 1.44 0.76 -1.82 2.72 1.85 -1.26 -4.92 116.66 115.43 3a3b n ARG 86 Ca -0.14 0.32 -0.39 0.00 -1.00 0.00 0.00 57.85 56.64 3a3b n ARG 86 Cb 0.53 -2.46 0.02 0.00 -1.05 0.00 0.00 32.46 29.50 3a3b n ARG 86 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3a3b s PRO 87 N -3.58 3.49 0.07 2.89 0.02 -1.26 -4.96 135.00 131.67 3a3b s PRO 87 Ca 0.79 2.31 -0.09 0.00 0.02 0.00 0.00 61.00 64.03 3a3b s PRO 87 Cb -0.35 -2.50 -0.27 0.00 0.02 0.00 0.00 34.50 31.40 3a3b s PRO 87 CO 0.45 -0.93 1.13 0.93 -0.33 0.00 0.00 177.00 178.24 3a3b h GLU 88 N 2.00 0.43 0.00 5.54 3.07 -2.01 -3.44 114.58 120.17 3a3b h GLU 88 Ca -0.51 -0.65 0.00 0.00 -0.50 0.00 0.00 59.36 57.71 3a3b h GLU 88 Cb 1.28 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 3a3b h GLU 88 CO 0.60 1.29 -0.10 1.19 -1.40 0.00 0.00 179.01 180.58 3a3b n PHE 89 N -3.66 0.00 0.00 4.33 3.72 -1.26 -5.03 117.46 115.56 3a3b n PHE 89 Ca -0.11 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 3a3b n PHE 89 Cb 1.01 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 39.44 3a3b n PHE 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a3b n GLY 90 N -0.96 0.65 3.38 1.37 0.00 -1.26 -5.14 105.19 103.23 3a3b n GLY 90 Ca 0.10 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3a3b n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a3b s SER 91 N 1.00 -0.44 -0.04 1.61 0.01 -1.26 -4.93 113.70 109.65 3a3b s SER 91 Ca 0.00 0.55 0.03 0.00 1.31 0.00 0.00 55.95 57.84 3a3b s SER 91 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 3a3b s SER 91 CO 0.00 -0.43 -0.13 -1.48 0.41 0.00 0.00 173.24 171.61 3a3b s LEU 92 N -0.84 1.81 0.00 2.44 0.05 -1.26 -5.20 118.68 115.69 3a3b s LEU 92 Ca -0.09 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 53.81 3a3b s LEU 92 Cb -0.03 -0.79 0.00 0.00 -2.05 0.00 0.00 46.19 43.32 3a3b s LEU 92 CO 0.05 0.10 0.00 0.61 -0.55 0.00 0.00 176.35 176.56 3a3b n GLY 94 N 3.33 3.08 1.15 -3.48 0.00 -1.26 -5.14 105.19 102.86 3a3b n GLY 94 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3a3b n GLY 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a3b n LYS 95 N 0.00 0.00 0.00 1.61 3.00 -1.26 -4.67 118.16 116.84 3a3b n LYS 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3a3b n LYS 95 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 34.58 3a3b n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3a3b n GLY 96 N 3.29 2.19 3.66 3.14 0.00 -1.26 -5.03 105.19 111.18 3a3b n GLY 96 Ca 0.00 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 0.70 -2.62 4.61 0.00 -1.26 -4.70 120.51 117.25 3a3b n ALA 97 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 3a3b n ALA 97 Cb 0.00 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.16 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 -1.71 3.27 0.18 0.00 1.43 -0.11 -4.91 118.68 116.83 3a3b s LEU 98 Ca 0.67 -0.05 0.22 0.00 -1.03 0.00 0.00 54.13 53.94 3a3b s LEU 98 Cb -0.48 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3a3b s LEU 98 CO 0.53 0.32 0.99 0.35 0.23 0.00 0.00 176.35 178.77 3a3b n THR 99 N 1.79 0.63 -0.76 5.49 -2.24 -1.26 -0.41 114.28 117.53 3a3b n THR 99 Ca -0.16 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 3a3b n THR 99 Cb 0.53 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 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 1.20 0.63 3.36 3.38 0.00 -1.26 -4.72 105.19 107.78 3a3b n GLY 100 Ca -0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.03 6.21 0.00 1.61 2.47 -1.26 -1.02 114.94 120.92 3a3b s ASN 101 Ca 0.00 -1.55 -0.30 0.00 0.42 0.00 0.00 52.86 51.43 3a3b s ASN 101 Cb 0.00 -2.29 -0.04 0.00 -1.45 0.00 0.00 41.25 37.47 3a3b s ASN 101 CO 0.00 -1.06 1.12 -0.63 -3.72 0.00 0.00 177.10 172.82 3a3b s ILE 102 N 2.43 4.38 0.11 -5.21 -1.09 -1.26 -4.71 121.20 115.85 3a3b s ILE 102 Ca 0.11 1.70 -0.00 0.00 -2.23 0.00 0.00 60.65 60.23 3a3b s ILE 102 Cb -0.24 -4.09 -0.23 0.00 -1.58 0.00 0.00 42.46 36.32 3a3b s ILE 102 CO 0.05 0.09 1.24 0.11 -1.23 0.00 0.00 174.94 175.20 3a3b h LYS 103 N 6.98 0.20 0.00 2.79 6.56 -0.96 -3.49 116.57 128.65 3a3b h LYS 103 Ca -0.39 -0.30 0.00 0.00 -1.06 0.00 0.00 60.65 58.91 3a3b h LYS 103 Cb 1.20 0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 3a3b h LYS 103 CO 0.81 1.10 0.00 0.41 -2.06 0.00 0.00 179.45 179.71 3a3b n GLY 104 N 1.29 -1.43 3.87 3.86 0.00 -1.18 -4.99 105.19 106.61 3a3b n GLY 104 Ca -0.05 -1.17 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 3a3b n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3b s VAL 105 N -2.95 5.50 0.43 1.61 1.01 -1.25 -0.37 120.40 124.37 3a3b s VAL 105 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.23 3a3b s VAL 105 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3a3b s VAL 105 CO 0.00 0.60 0.13 0.00 0.00 0.00 0.00 175.10 175.83 3a3b s ALA 106 N -0.90 3.08 -0.03 5.51 0.00 -0.44 -4.70 121.76 124.29 3a3b s ALA 106 Ca 0.14 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3a3b s ALA 106 Cb -0.12 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.70 3a3b s ALA 106 CO 0.04 -0.31 -0.11 0.99 0.00 0.00 0.00 175.76 176.36 3a3b s THR 107 N -3.16 0.95 -0.22 0.00 2.01 -1.07 -1.05 115.64 113.09 3a3b s THR 107 Ca 0.21 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.46 3a3b s THR 107 Cb 0.02 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 3a3b s THR 107 CO 0.14 0.28 1.83 -0.69 -0.69 0.00 0.00 174.62 175.50 3a3b s VAL 108 N 0.05 3.41 0.07 3.82 1.01 0.47 -0.79 120.40 128.45 3a3b s VAL 108 Ca -0.01 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.34 3a3b s VAL 108 Cb -0.08 -3.47 -0.28 0.00 0.00 0.00 0.00 36.38 32.55 3a3b s VAL 108 CO 0.01 -0.24 1.14 -0.78 0.00 0.00 0.00 175.10 175.23 3a3b h ASP 109 N 12.25 0.58 -4.93 3.32 3.58 -1.03 0.36 116.42 130.56 3a3b h ASP 109 Ca -0.37 -0.59 -0.04 0.00 0.42 0.00 0.00 57.03 56.45 3a3b h ASP 109 Cb 1.18 -0.19 -0.19 0.00 1.72 0.00 0.00 39.33 41.86 3a3b h ASP 109 CO 0.99 1.44 0.22 0.21 -2.88 0.00 0.00 179.24 179.22 3a3b s ASN 110 N -7.26 -0.62 -0.06 2.28 2.47 -0.98 -4.77 114.94 105.99 3a3b s ASN 110 Ca -0.06 0.61 -0.02 0.00 0.42 0.00 0.00 52.86 53.81 3a3b s ASN 110 Cb 0.07 0.53 0.04 0.00 -1.45 0.00 0.00 41.25 40.43 3a3b s ASN 110 CO 0.90 -0.63 0.11 -0.51 -3.72 0.00 0.00 177.10 173.26 3a3b s ILE 111 N -1.47 -0.12 -0.28 -5.21 2.07 -1.26 -0.58 121.20 114.35 3a3b s ILE 111 Ca -0.09 0.27 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 3a3b s ILE 111 Cb -0.00 -0.21 0.05 0.00 0.13 0.00 0.00 42.46 42.43 3a3b s ILE 111 CO 0.07 0.11 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.29 3a3b s THR 112 N 1.61 2.82 -0.90 4.00 2.01 0.15 -4.97 115.64 120.36 3a3b s THR 112 Ca -0.04 -1.34 0.25 0.00 0.31 0.00 0.00 61.69 60.87 3a3b s THR 112 Cb -0.12 -2.58 0.22 0.00 0.01 0.00 0.00 72.50 70.03 3a3b s THR 112 CO -0.05 -0.02 1.77 1.21 -0.69 0.00 0.00 174.62 176.84 3a3b n GLU 113 N 4.60 0.07 -4.16 4.92 0.00 -1.26 -1.39 120.64 123.42 3a3b n GLU 113 Ca -0.14 0.14 -0.15 0.00 0.00 0.00 0.00 57.16 57.01 3a3b n GLU 113 Cb 0.44 -1.60 -0.11 0.00 0.00 0.00 0.00 31.44 30.17 3a3b n GLU 113 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3a3b s GLU 114 N -3.05 0.81 0.00 5.31 2.02 -1.26 -4.67 118.70 117.86 3a3b s GLU 114 Ca 0.11 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3a3b s GLU 114 Cb 0.15 -0.57 0.00 0.00 0.10 0.00 0.00 34.13 33.80 3a3b s GLU 114 CO 0.47 0.10 0.23 -1.91 0.02 0.00 0.00 175.26 174.17 3a3b n GLU 115 N 0.81 0.00 -1.94 1.61 2.13 -1.26 -4.84 120.64 117.15 3a3b n GLU 115 Ca -0.18 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3a3b n GLU 115 Cb 0.57 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.69 3a3b n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3a3b n ARG 117 N -0.56 -4.39 -3.85 5.31 3.00 -1.26 -5.06 116.66 109.85 3a3b n ARG 117 Ca 0.00 3.12 -0.36 0.00 -0.00 0.00 0.00 57.85 60.61 3a3b n ARG 117 Cb 0.00 -3.51 -0.13 0.00 0.00 0.00 0.00 32.46 28.82 3a3b n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3a3b s LEU 118 N -0.92 4.15 -0.23 6.15 2.96 0.12 -4.67 118.68 126.25 3a3b s LEU 118 Ca 0.00 -1.30 -0.15 0.00 -0.22 0.00 0.00 54.13 52.45 3a3b s LEU 118 Cb 0.00 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3a3b s LEU 118 CO 0.00 -0.31 0.38 -0.54 -1.32 0.00 0.00 176.35 174.56 3a3b s LYS 119 N 1.29 4.11 -0.10 1.98 1.02 -0.49 -1.12 119.74 126.43 3a3b s LYS 119 Ca -0.03 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.10 3a3b s LYS 119 Cb -0.20 -3.58 0.02 0.00 -0.52 0.00 0.00 37.83 33.55 3a3b s LYS 119 CO -0.00 -0.12 -0.13 0.08 -0.92 0.00 0.00 175.35 174.26 3a3b s VAL 120 N 1.58 1.33 -0.26 3.17 1.01 -0.47 0.32 120.40 127.08 3a3b s VAL 120 Ca 0.17 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.58 3a3b s VAL 120 Cb -0.15 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3a3b s VAL 120 CO 0.08 0.41 0.01 -0.31 0.00 0.00 0.00 175.10 175.29 3a3b s TYR 121 N 1.13 3.08 -0.19 5.22 2.02 0.25 -0.88 117.35 127.98 3a3b s TYR 121 Ca -0.04 -1.14 -0.03 0.00 -0.37 0.00 0.00 57.07 55.49 3a3b s TYR 121 Cb -0.14 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.25 3a3b s TYR 121 CO -0.03 -0.61 -0.07 0.42 -1.57 0.00 0.00 175.55 173.69 3a3b s ILE 122 N 1.44 3.29 -0.25 2.71 -1.09 -0.34 -0.35 121.20 126.61 3a3b s ILE 122 Ca 0.03 -0.54 -0.24 0.00 -2.23 0.00 0.00 60.65 57.67 3a3b s ILE 122 Cb -0.16 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.25 3a3b s ILE 122 CO -0.01 0.46 0.78 -0.75 -1.23 0.00 0.00 174.94 174.20 3a3b s LYS 123 N 1.03 4.14 -0.17 2.79 2.20 0.03 -1.31 119.74 128.45 3a3b s LYS 123 Ca 0.00 0.81 -0.20 0.00 -0.36 0.00 0.00 55.97 56.23 3a3b s LYS 123 Cb -0.15 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 3a3b s LYS 123 CO -0.01 -0.52 0.57 0.42 -0.36 0.00 0.00 175.35 175.45 3a3b s ILE 124 N 2.79 5.09 0.54 5.43 -1.09 0.62 -2.59 121.20 131.99 3a3b s ILE 124 Ca 0.33 1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 59.67 3a3b s ILE 124 Cb -0.15 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 3a3b s ILE 124 CO 0.08 0.19 1.01 -2.16 -1.23 0.00 0.00 174.94 172.83 3a3b s PRO 125 N 1.46 3.75 -0.17 2.79 0.05 -1.26 -4.89 135.00 136.73 3a3b s PRO 125 Ca 0.27 1.00 -0.29 0.00 0.05 0.00 0.00 61.00 62.03 3a3b s PRO 125 Cb -0.16 -2.10 -0.00 0.00 0.05 0.00 0.00 34.50 32.28 3a3b s PRO 125 CO 0.11 -0.44 1.10 0.21 0.05 0.00 0.00 177.00 178.03 3a3b s LYS 126 N -4.16 4.30 0.00 4.56 2.47 -1.26 -1.91 119.74 123.73 3a3b s LYS 126 Ca 0.60 1.47 0.00 0.00 -1.56 0.00 0.00 55.97 56.48 3a3b s LYS 126 Cb -0.12 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 3a3b s LYS 126 CO 0.35 -0.56 0.00 -3.47 0.16 0.00 0.00 175.35 171.83 3a3b n ASP 127 N 5.98 0.00 -2.97 1.43 2.03 -1.26 -5.26 116.55 116.49 3a3b n ASP 127 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3a3b n ASP 127 Cb 0.46 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.86 3a3b n ASP 127 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3a3b n LEU 128 N 0.00 0.00 0.00 -2.67 4.32 -0.80 -5.12 117.00 112.72 3a3b n LEU 128 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3a3b n LEU 128 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3a3b n LEU 128 CO 0.00 -0.05 0.00 1.21 -1.22 0.00 0.00 177.39 177.33 3a3b n GLU 135 N -0.06 0.47 0.00 3.23 2.13 -1.26 -5.06 120.64 120.09 3a3b n GLU 135 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3a3b n GLU 135 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3a3b n GLU 135 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 3a3b n ASP 136 N -1.76 0.00 -4.52 4.31 -0.08 -1.26 -4.91 116.55 108.33 3a3b n ASP 136 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 3a3b n ASP 136 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 3a3b n ASP 136 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 3a3b s HIS 137 N 0.00 2.55 -0.08 -0.67 3.76 -1.26 0.12 115.29 119.70 3a3b s HIS 137 Ca 0.00 -0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 54.44 3a3b s HIS 137 Cb 0.00 -1.29 0.05 0.00 1.11 0.00 0.00 32.58 32.45 3a3b s HIS 137 CO 0.00 0.46 0.51 -1.50 -0.85 0.00 0.00 174.74 173.36 3a3b s ILE 138 N -1.49 0.02 -0.19 0.60 2.07 -0.25 -4.12 121.20 117.85 3a3b s ILE 138 Ca 0.22 -0.16 -0.14 0.00 -1.41 0.00 0.00 60.65 59.15 3a3b s ILE 138 Cb -0.09 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 3a3b s ILE 138 CO 0.13 -0.09 0.32 -0.83 -1.91 0.00 0.00 174.94 172.55 3a3b s GLY 139 N -0.79 2.14 -0.22 1.50 0.00 0.67 -2.43 107.32 108.20 3a3b s GLY 139 Ca -0.09 -0.53 0.02 0.00 0.00 0.00 0.00 44.72 44.12 3a3b s GLY 139 CO 0.05 0.57 -0.13 -0.42 0.00 0.00 0.00 173.10 173.18 3a3b s ILE 140 N 0.86 1.93 -1.13 0.90 -1.09 -0.47 -1.09 121.20 121.10 3a3b s ILE 140 Ca 0.16 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.28 3a3b s ILE 140 Cb -0.14 -1.96 0.06 0.00 -1.58 0.00 0.00 42.46 38.85 3a3b s ILE 140 CO 0.05 0.17 0.35 0.59 -1.23 0.00 0.00 174.94 174.88 3a3b n ASN 141 N 4.58 -3.31 0.00 3.58 3.02 -0.35 -1.14 115.26 121.63 3a3b n ASN 141 Ca -0.16 -0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 3a3b n ASN 141 Cb 0.46 -2.78 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 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 -1.02 0.77 3.53 7.41 0.00 -1.25 -3.23 105.19 111.40 3a3b n GLY 142 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.89 5.04 -0.22 1.61 1.01 -0.30 -4.05 120.40 120.60 3a3b s VAL 143 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 3a3b s VAL 143 Cb 0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3a3b s VAL 143 CO 0.00 -0.29 0.50 -0.55 0.00 0.00 0.00 175.10 174.76 3a3b s SER 144 N 1.80 6.50 0.23 3.32 0.15 -0.53 -1.37 113.70 123.79 3a3b s SER 144 Ca 0.16 0.60 -0.08 0.00 0.70 0.00 0.00 55.95 57.33 3a3b s SER 144 Cb -0.16 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3a3b s SER 144 CO 0.14 -0.20 0.34 -2.28 1.20 0.00 0.00 173.24 172.43 3a3b s HIS 145 N 1.83 0.68 0.34 3.44 5.04 -1.02 -4.91 115.29 120.70 3a3b s HIS 145 Ca 0.22 -0.99 -0.17 0.00 -1.54 0.00 0.00 55.06 52.59 3a3b s HIS 145 Cb -0.15 -0.11 -0.09 0.00 0.04 0.00 0.00 32.58 32.26 3a3b s HIS 145 CO 0.09 -0.85 0.79 -1.54 -2.34 0.00 0.00 174.74 170.88 3a3b s SER 146 N -3.08 6.84 0.15 9.88 1.04 -1.26 -1.09 113.70 126.19 3a3b s SER 146 Ca 0.29 1.39 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 3a3b s SER 146 Cb 0.02 -2.42 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 3a3b s SER 146 CO 0.10 -0.22 0.97 -0.63 0.98 0.00 0.00 173.24 174.44 3a3b s ILE 147 N -1.98 4.35 -0.10 -1.02 1.01 0.32 -4.57 121.20 119.20 3a3b s ILE 147 Ca 0.55 2.04 -0.18 0.00 0.00 0.00 0.00 60.65 63.05 3a3b s ILE 147 Cb -0.11 -4.30 -0.27 0.00 0.01 0.00 0.00 42.46 37.79 3a3b s ILE 147 CO 0.17 0.35 0.61 -0.08 0.00 0.00 0.00 174.94 175.99 3a3b h GLU 148 N 5.21 0.22 -2.09 2.79 4.57 -1.15 -3.45 114.58 120.68 3a3b h GLU 148 Ca -0.43 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.34 3a3b h GLU 148 Cb 1.21 0.14 -0.18 0.00 -0.16 0.00 0.00 28.75 29.75 3a3b h GLU 148 CO 0.71 1.18 0.22 -2.00 -1.18 0.00 0.00 179.01 177.94 3a3b s GLU 149 N -2.44 1.05 -0.10 1.92 2.12 -1.18 -5.01 118.70 115.07 3a3b s GLU 149 Ca -0.19 0.15 0.02 0.00 0.36 0.00 0.00 54.97 55.31 3a3b s GLU 149 Cb 0.03 0.49 0.02 0.00 0.26 0.00 0.00 34.13 34.93 3a3b s GLU 149 CO 0.76 -0.35 -0.13 0.42 -0.54 0.00 0.00 175.26 175.42 3a3b s ILE 150 N -1.53 1.31 -0.19 -3.70 1.01 -1.26 -0.59 121.20 116.26 3a3b s ILE 150 Ca -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3a3b s ILE 150 Cb -0.00 -1.22 0.05 0.00 0.01 0.00 0.00 42.46 41.30 3a3b s ILE 150 CO 0.06 0.40 -0.02 -0.44 0.00 0.00 0.00 174.94 174.94 3a3b s SER 151 N 0.99 3.07 1.46 3.58 0.01 -0.12 -4.99 113.70 117.69 3a3b s SER 151 Ca -0.07 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.37 3a3b s SER 151 Cb -0.15 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.21 3a3b s SER 151 CO -0.01 -0.23 0.00 0.47 0.41 0.00 0.00 173.24 173.88 3a3b n ASP 152 N 4.88 0.00 -0.64 2.44 8.00 -1.26 -1.58 116.55 128.40 3a3b n ASP 152 Ca -0.11 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.45 3a3b n ASP 152 Cb 0.47 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.72 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 10.69 2.98 -4.33 -2.24 5.75 -1.26 -4.96 116.55 123.18 3a3b n ASP 153 Ca 0.00 -2.10 -0.34 0.00 -0.01 0.00 0.00 54.79 52.34 3a3b n ASP 153 Cb 0.00 -0.25 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 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 -1.17 3.34 -0.10 2.12 -1.09 -0.62 -0.28 121.20 123.41 3a3b s ILE 154 Ca 0.24 -0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 58.00 3a3b s ILE 154 Cb 0.14 -2.50 -0.05 0.00 -1.58 0.00 0.00 42.46 38.47 3a3b s ILE 154 CO 0.14 0.45 0.35 0.27 -1.23 0.00 0.00 174.94 174.92 3a3b s ILE 155 N 1.18 5.22 -0.23 2.92 -4.36 -0.43 -0.95 121.20 124.55 3a3b s ILE 155 Ca 0.02 0.68 -0.07 0.00 -0.26 0.00 0.00 60.65 61.01 3a3b s ILE 155 Cb -0.14 -3.67 -0.03 0.00 1.25 0.00 0.00 42.46 39.87 3a3b s ILE 155 CO -0.01 0.46 0.07 0.12 0.24 0.00 0.00 174.94 175.82 3a3b s PHE 156 N -0.14 3.13 -0.09 1.37 5.36 0.24 -1.20 117.98 126.66 3a3b s PHE 156 Ca 0.20 -0.24 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 3a3b s PHE 156 Cb -0.14 -2.19 -0.00 0.00 -0.34 0.00 0.00 43.02 40.34 3a3b s PHE 156 CO 0.08 -0.19 -0.24 0.42 -1.46 0.00 0.00 175.22 173.83 3a3b s ILE 157 N 1.23 2.08 -0.39 3.12 1.01 -0.06 -0.58 121.20 127.62 3a3b s ILE 157 Ca 0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 3a3b s ILE 157 Cb -0.14 -1.78 0.08 0.00 0.01 0.00 0.00 42.46 40.62 3a3b s ILE 157 CO 0.04 0.56 0.18 0.21 0.00 0.00 0.00 174.94 175.93 3a3b s ASN 158 N 0.21 5.34 -0.05 3.58 3.84 -1.26 -1.37 114.94 125.23 3a3b s ASN 158 Ca -0.15 -1.60 -0.05 0.00 0.21 0.00 0.00 52.86 51.27 3a3b s ASN 158 Cb -0.17 -1.87 -0.04 0.00 -0.55 0.00 0.00 41.25 38.62 3a3b s ASN 158 CO 0.08 -0.47 0.18 -0.31 -2.79 0.00 0.00 177.10 173.79 3a3b s TYR 159 N 1.30 3.58 0.34 0.43 2.02 -0.27 -4.92 117.35 119.81 3a3b s TYR 159 Ca 0.03 0.47 -0.29 0.00 -0.37 0.00 0.00 57.07 56.91 3a3b s TYR 159 Cb -0.22 -1.91 -0.11 0.00 -0.40 0.00 0.00 41.96 39.33 3a3b s TYR 159 CO -0.01 0.68 1.39 -1.25 -1.57 0.00 0.00 175.55 174.80 3a3b s PRO 160 N -1.53 4.25 0.61 -1.71 0.04 -1.26 0.15 135.00 135.55 3a3b s PRO 160 Ca 0.22 2.36 0.30 0.00 0.04 0.00 0.00 61.00 63.93 3a3b s PRO 160 Cb -0.13 -3.04 1.66 0.00 0.04 0.00 0.00 34.50 33.04 3a3b s PRO 160 CO 0.12 -0.35 2.03 -0.22 0.04 0.00 0.00 177.00 178.62 3a3b h LYS 161 N 3.46 0.00 0.00 4.56 3.64 -1.93 -1.15 116.57 125.15 3a3b h LYS 161 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3a3b h LYS 161 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3a3b h LYS 161 CO 0.67 0.00 0.00 -2.95 -2.27 0.00 0.00 179.45 174.90 3a3b h ASN 162 N 0.00 0.00 0.00 4.20 7.08 -1.98 -2.67 115.58 122.20 3a3b h ASN 162 Ca 0.09 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 3a3b h ASN 162 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.91 3a3b h ASN 162 CO -0.00 0.00 0.00 0.18 -2.08 0.00 0.00 177.43 175.53 3a3b n LEU 163 N -2.73 0.00 0.00 6.14 4.77 -0.44 -2.59 117.00 122.15 3a3b n LEU 163 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3a3b n LEU 163 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3a3b n LEU 163 CO 0.19 0.00 0.03 -1.54 -1.33 0.00 0.00 177.39 174.74 3a3b n SER 164 N -0.52 0.11 0.00 -1.43 3.41 -1.01 -2.65 113.62 111.54 3a3b n SER 164 Ca 0.01 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.94 3a3b n SER 164 Cb 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3a3b n SER 164 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3a3b n ILE 165 N -0.06 0.00 0.51 -1.33 -0.00 -1.26 -3.11 119.36 114.11 3a3b n ILE 165 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.88 3a3b n ILE 165 Cb 0.13 0.00 0.45 0.00 -0.00 0.00 0.00 39.64 40.22 3a3b n ILE 165 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 3a3b n THR 166 N 0.00 0.71 -4.31 1.39 -2.24 -1.07 -4.84 114.28 103.93 3a3b n THR 166 Ca 0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 3a3b n THR 166 Cb 0.00 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.32 3a3b n THR 166 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3a3b n THR 167 N -2.27 0.00 1.17 4.28 -2.24 -1.08 -4.40 114.28 109.73 3a3b n THR 167 Ca 0.04 -1.03 0.07 0.00 -2.27 0.00 0.00 64.05 60.86 3a3b n THR 167 Cb 0.33 0.24 0.23 0.00 -2.10 0.00 0.00 70.33 69.03 3a3b n THR 167 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3a3b n ASN 168 N -1.26 1.51 -0.18 3.42 0.23 -1.26 -4.34 115.26 113.38 3a3b n ASN 168 Ca -0.08 -1.87 0.22 0.00 -0.53 0.00 0.00 54.58 52.32 3a3b n ASN 168 Cb 0.27 -0.16 0.61 0.00 -2.08 0.00 0.00 39.78 38.42 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 1.77 0.21 -0.14 -4.53 3.38 -1.84 0.87 115.31 115.04 3a3b h LEU 169 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a3b h LEU 169 Cb 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a3b h LEU 169 CO 0.00 0.09 -0.03 0.61 0.09 0.00 0.00 178.44 179.20 3a3b n GLY 170 N -1.60 -1.00 0.14 0.83 0.00 -1.18 -2.58 105.19 99.80 3a3b n GLY 170 Ca 0.17 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.99 0.00 -2.46 2.61 -2.24 0.30 -4.98 114.28 106.52 3a3b n THR 171 Ca 0.18 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.50 3a3b n THR 171 Cb 0.22 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.79 4.39 0.16 3.22 1.43 -1.06 -5.06 118.68 118.97 3a3b s LEU 172 Ca 0.15 2.23 0.07 0.00 -1.03 0.00 0.00 54.13 55.55 3a3b s LEU 172 Cb 0.18 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 3a3b s LEU 172 CO 0.67 -0.32 -0.14 -1.61 0.23 0.00 0.00 176.35 175.18 3a3b s GLU 173 N -1.84 1.18 -0.30 1.70 2.02 -1.26 -5.01 118.70 115.19 3a3b s GLU 173 Ca 0.50 -1.42 -0.42 0.00 0.02 0.00 0.00 54.97 53.65 3a3b s GLU 173 Cb -0.29 -1.02 -0.19 0.00 0.10 0.00 0.00 34.13 32.73 3a3b s GLU 173 CO 0.38 0.18 1.32 1.17 0.02 0.00 0.00 175.26 178.32 3a3b n LYS 174 N 0.07 0.00 0.00 1.61 4.81 -1.26 -0.92 118.16 122.47 3a3b n LYS 174 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 3a3b n LYS 174 Cb 0.59 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 34.23 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 2.88 0.11 3.74 3.14 0.00 0.13 -5.00 105.19 110.19 3a3b n GLY 175 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3a3b n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a3b s SER 176 N -2.22 7.25 0.23 1.61 0.01 -0.10 -4.75 113.70 115.74 3a3b s SER 176 Ca 0.00 2.08 -0.18 0.00 1.31 0.00 0.00 55.95 59.17 3a3b s SER 176 Cb 0.00 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.55 3a3b s SER 176 CO 0.00 -0.24 0.70 -1.81 0.41 0.00 0.00 173.24 172.30 3a3b s ASP 177 N -0.02 6.95 0.08 2.44 1.01 -1.26 -0.39 116.67 125.47 3a3b s ASP 177 Ca 0.50 1.33 0.02 0.00 0.71 0.00 0.00 52.55 55.11 3a3b s ASP 177 Cb -0.29 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 3a3b s ASP 177 CO 0.34 -0.01 -0.07 0.68 0.21 0.00 0.00 175.17 176.33 3a3b s VAL 178 N -1.61 0.65 -0.17 -1.27 -7.23 -0.21 -4.95 120.40 105.61 3a3b s VAL 178 Ca 0.45 -1.62 -0.22 0.00 -1.81 0.00 0.00 61.98 58.78 3a3b s VAL 178 Cb -0.15 -1.29 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 3a3b s VAL 178 CO 0.20 -0.68 0.69 0.20 -0.31 0.00 0.00 175.10 175.19 3a3b s ASN 179 N -2.49 6.79 -0.14 4.85 0.01 -1.26 -1.33 114.94 121.37 3a3b s ASN 179 Ca 0.04 0.96 -0.02 0.00 -0.71 0.00 0.00 52.86 53.13 3a3b s ASN 179 Cb -0.01 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 3a3b s ASN 179 CO -0.03 -0.28 -0.08 0.68 -1.51 0.00 0.00 177.10 175.88 3a3b s VAL 180 N 1.82 3.52 -0.26 1.60 -7.23 0.50 -1.22 120.40 119.13 3a3b s VAL 180 Ca 0.32 -0.50 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 3a3b s VAL 180 Cb -0.16 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.27 3a3b s VAL 180 CO 0.12 0.51 0.02 -0.70 -0.31 0.00 0.00 175.10 174.74 3a3b s GLU 181 N 0.28 3.16 0.21 4.82 2.12 -0.25 -0.32 118.70 128.71 3a3b s GLU 181 Ca -0.06 -0.79 -0.11 0.00 0.36 0.00 0.00 54.97 54.38 3a3b s GLU 181 Cb -0.15 -3.19 -0.07 0.00 0.26 0.00 0.00 34.13 30.99 3a3b s GLU 181 CO 0.04 -0.35 0.55 0.95 -0.54 0.00 0.00 175.26 175.91 3a3b s THR 182 N 1.47 4.92 -0.60 -1.70 -4.23 -1.26 -0.24 115.64 114.00 3a3b s THR 182 Ca 0.03 0.54 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 3a3b s THR 182 Cb -0.16 -3.64 0.04 0.00 1.34 0.00 0.00 72.50 70.08 3a3b s THR 182 CO -0.01 0.00 0.65 0.18 -0.54 0.00 0.00 174.62 174.91