#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7h n GLY 9 N 0.00 2.28 3.61 5.00 0.00 -1.26 -5.00 105.19 109.83 3a7h n GLY 9 Ca 0.00 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3a7h n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a7h s LEU 10 N 0.00 3.83 0.31 0.99 2.96 -1.26 -5.00 118.68 120.51 3a7h s LEU 10 Ca 0.00 0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 54.31 3a7h s LEU 10 Cb 0.00 -3.47 -0.12 0.00 0.50 0.00 0.00 46.19 43.09 3a7h s LEU 10 CO 0.00 -1.03 1.41 -2.65 -1.32 0.00 0.00 176.35 172.77 3a7h n PRO 11 N 7.24 2.30 -0.85 0.98 -0.02 -1.26 -1.21 135.00 142.18 3a7h n PRO 11 Ca 0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3a7h n PRO 11 Cb 0.48 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3a7h n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a7h n GLY 12 N 1.42 1.22 3.73 -1.23 0.00 -1.26 -4.74 105.19 104.33 3a7h n GLY 12 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3a7h n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3a7h n MET 13 N -2.00 2.73 -3.63 1.61 0.00 -0.35 -1.47 117.12 114.01 3a7h n MET 13 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 57.70 58.48 3a7h n MET 13 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 33.22 30.42 3a7h n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3a7h s GLN 14 N 0.18 3.11 -0.20 2.12 -1.52 0.14 -4.85 119.66 118.65 3a7h s GLN 14 Ca 0.69 -1.01 -0.39 0.00 -1.95 0.00 0.00 55.36 52.70 3a7h s GLN 14 Cb -0.50 -2.77 -0.15 0.00 -0.22 0.00 0.00 33.01 29.36 3a7h s GLN 14 CO 0.42 0.15 1.69 -1.71 -0.25 0.00 0.00 175.29 175.59 3a7h n ASN 15 N -1.54 2.40 0.08 5.90 4.05 -1.26 -4.76 115.26 120.12 3a7h n ASN 15 Ca -0.02 1.07 0.05 0.00 0.45 0.00 0.00 54.58 56.13 3a7h n ASN 15 Cb 0.58 -1.18 0.25 0.00 1.23 0.00 0.00 39.78 40.67 3a7h n ASN 15 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3a7h n LEU 16 N 5.03 0.24 0.16 1.20 7.99 -1.26 0.10 117.00 130.47 3a7h n LEU 16 Ca 0.25 0.58 0.03 0.00 -0.01 0.00 0.00 56.01 56.85 3a7h n LEU 16 Cb 0.16 -0.60 0.22 0.00 -0.11 0.00 0.00 43.42 43.09 3a7h n LEU 16 CO 0.77 -0.66 0.57 0.50 -1.51 0.00 0.00 177.39 177.06 3a7h h LYS 17 N 0.00 0.00 -6.40 3.23 1.63 -1.93 -3.43 116.57 109.67 3a7h h LYS 17 Ca 0.00 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.26 3a7h h LYS 17 Cb 0.12 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3a7h h LYS 17 CO 0.00 0.49 0.72 0.00 -3.45 0.00 0.00 179.45 177.21 3a7h s ALA 18 N -3.42 3.51 -0.43 5.00 0.00 0.12 -4.99 121.76 121.54 3a7h s ALA 18 Ca 0.01 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 3a7h s ALA 18 Cb 0.11 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.76 3a7h s ALA 18 CO 0.72 -0.72 0.30 0.34 0.00 0.00 0.00 175.76 176.40 3a7h s ASP 19 N 1.49 5.88 0.57 0.00 3.68 -1.26 -4.79 116.67 122.24 3a7h s ASP 19 Ca 0.60 -1.28 0.28 0.00 2.13 0.00 0.00 52.55 54.28 3a7h s ASP 19 Cb -0.29 -2.08 1.52 0.00 -1.45 0.00 0.00 42.92 40.61 3a7h s ASP 19 CO 0.26 -0.54 1.99 1.55 0.13 0.00 0.00 175.17 178.56 3a7h h PRO 20 N 8.56 0.00 0.00 4.34 0.13 -1.94 0.53 132.00 143.62 3a7h h PRO 20 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3a7h h PRO 20 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3a7h h PRO 20 CO 0.78 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.36 3a7h h GLU 21 N 0.00 0.00 0.04 0.86 5.08 -1.93 -0.55 114.58 118.08 3a7h h GLU 21 Ca 0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.19 3a7h h GLU 21 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 3a7h h GLU 21 CO -0.00 0.12 -2.13 0.39 -1.00 0.00 0.00 179.01 176.38 3a7h n GLU 22 N -3.27 0.69 0.16 2.33 1.02 0.06 -4.39 120.64 117.23 3a7h n GLU 22 Ca 0.00 0.19 0.02 0.00 -0.02 0.00 0.00 57.16 57.35 3a7h n GLU 22 Cb 0.36 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.35 3a7h n GLU 22 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3a7h h LEU 23 N 0.02 0.00 -8.29 -4.62 3.38 -1.07 -3.46 115.31 101.28 3a7h h LEU 23 Ca -0.46 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.10 3a7h h LEU 23 Cb 2.04 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 42.54 3a7h h LEU 23 CO 0.03 0.51 -0.78 -0.36 0.09 0.00 0.00 178.44 177.93 3a7h s PHE 24 N -3.46 1.10 -0.26 1.13 0.08 -0.23 -1.18 117.98 115.17 3a7h s PHE 24 Ca 0.00 -0.37 -0.10 0.00 0.12 0.00 0.00 56.93 56.58 3a7h s PHE 24 Cb 0.11 -0.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.86 3a7h s PHE 24 CO 0.73 0.02 0.16 0.99 -0.10 0.00 0.00 175.22 177.02 3a7h s THR 25 N -0.93 5.15 -0.13 0.64 2.01 -0.38 -4.56 115.64 117.44 3a7h s THR 25 Ca -0.00 0.11 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 3a7h s THR 25 Cb -0.08 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3a7h s THR 25 CO 0.01 0.30 0.56 -0.75 -0.69 0.00 0.00 174.62 174.05 3a7h s LYS 26 N 1.50 4.32 0.00 4.92 2.20 -1.26 -1.27 119.74 130.14 3a7h s LYS 26 Ca 0.07 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 3a7h s LYS 26 Cb -0.15 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 3a7h s LYS 26 CO 0.08 0.02 0.00 1.28 -0.36 0.00 0.00 175.35 176.36 3a7h n LEU 27 N 4.12 0.00 -4.78 5.43 4.77 0.12 -4.98 117.00 121.69 3a7h n LEU 27 Ca -0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.59 3a7h n LEU 27 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3a7h n LEU 27 CO 0.44 0.00 0.76 -1.83 -1.33 0.00 0.00 177.39 175.43 3a7h s GLU 28 N 5.00 3.35 0.07 3.23 1.03 -1.26 -4.58 118.70 125.54 3a7h s GLU 28 Ca 0.00 1.50 -0.31 0.00 0.03 0.00 0.00 54.97 56.20 3a7h s GLU 28 Cb 0.00 -2.02 -0.08 0.00 -0.80 0.00 0.00 34.13 31.24 3a7h s GLU 28 CO 0.00 -0.83 1.53 0.21 -1.33 0.00 0.00 175.26 174.84 3a7h s LYS 29 N -3.45 4.24 0.00 -4.83 2.20 -1.26 -0.97 119.74 115.67 3a7h s LYS 29 Ca 0.70 2.18 0.05 0.00 -0.36 0.00 0.00 55.97 58.55 3a7h s LYS 29 Cb -0.21 -3.49 0.05 0.00 -1.51 0.00 0.00 37.83 32.67 3a7h s LYS 29 CO 0.28 -0.63 0.71 0.44 -0.36 0.00 0.00 175.35 175.80 3a7h n ILE 30 N 4.50 0.10 0.00 5.43 -5.35 0.28 -4.89 119.36 119.42 3a7h n ILE 30 Ca 0.14 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3a7h n ILE 30 Cb 0.41 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3a7h n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a7h n GLY 31 N 0.26 0.61 2.72 3.28 0.00 -0.89 -4.97 105.19 106.20 3a7h n GLY 31 Ca 0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 3a7h n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a7h s LYS 32 N -2.00 0.43 0.00 1.61 2.36 -1.26 -0.59 119.74 120.29 3a7h s LYS 32 Ca 0.00 -0.50 0.00 0.00 -2.55 0.00 0.00 55.97 52.92 3a7h s LYS 32 Cb 0.00 -0.77 0.00 0.00 -1.05 0.00 0.00 37.83 36.01 3a7h s LYS 32 CO 0.00 -1.10 0.00 0.41 1.55 0.00 0.00 175.35 176.21 3a7h n GLY 33 N 4.85 0.09 0.12 5.54 0.00 -1.08 -4.96 105.19 109.75 3a7h n GLY 33 Ca 0.03 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.77 3a7h n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a7h h SER 34 N 0.00 0.00 0.00 1.61 0.02 -2.03 -3.43 113.55 109.72 3a7h h SER 34 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 3a7h h SER 34 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3a7h h SER 34 CO 0.00 0.46 -1.45 0.49 -1.14 0.00 0.00 176.83 175.19 3a7h n PHE 35 N -3.00 0.00 -2.55 3.45 0.99 -1.26 -5.11 117.46 109.99 3a7h n PHE 35 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3a7h n PHE 35 Cb 0.75 -0.29 0.00 0.00 -1.00 0.00 0.00 39.48 38.94 3a7h n PHE 35 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3a7h n GLY 36 N 2.57 5.89 3.47 1.37 0.00 -1.26 -4.68 105.19 112.54 3a7h n GLY 36 Ca -0.16 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 3a7h n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 37 N 1.45 1.70 -0.11 1.61 2.02 -0.68 -2.62 118.70 122.08 3a7h s GLU 37 Ca 0.00 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 53.76 3a7h s GLU 37 Cb 0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.17 3a7h s GLU 37 CO 0.00 0.46 -0.18 0.08 0.02 0.00 0.00 175.26 175.64 3a7h s VAL 38 N -1.22 2.63 0.12 2.63 1.01 0.24 -0.43 120.40 125.38 3a7h s VAL 38 Ca 0.18 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.41 3a7h s VAL 38 Cb -0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3a7h s VAL 38 CO 0.10 0.54 -0.18 -0.36 0.00 0.00 0.00 175.10 175.20 3a7h s PHE 39 N 0.23 1.63 0.20 5.22 0.40 0.53 0.98 117.98 127.17 3a7h s PHE 39 Ca -0.12 -0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 55.45 3a7h s PHE 39 Cb -0.16 -0.87 -0.08 0.00 0.51 0.00 0.00 43.02 42.42 3a7h s PHE 39 CO 0.06 0.20 0.95 0.21 0.70 0.00 0.00 175.22 177.34 3a7h s LYS 40 N -2.26 4.81 0.24 0.44 2.20 -0.14 0.20 119.74 125.23 3a7h s LYS 40 Ca 0.08 1.48 -0.09 0.00 -0.36 0.00 0.00 55.97 57.09 3a7h s LYS 40 Cb -0.08 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 3a7h s LYS 40 CO 0.04 0.42 0.38 0.20 -0.36 0.00 0.00 175.35 176.04 3a7h s GLY 41 N -0.81 0.88 -0.04 5.54 0.00 0.40 0.15 107.32 113.43 3a7h s GLY 41 Ca 0.43 -1.17 0.05 0.00 0.00 0.00 0.00 44.72 44.03 3a7h s GLY 41 CO 0.31 -0.88 -0.21 -0.42 0.00 0.00 0.00 173.10 171.91 3a7h s ILE 42 N -3.96 1.69 -0.33 0.90 -1.09 -0.40 0.97 121.20 118.98 3a7h s ILE 42 Ca 0.28 -0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 57.56 3a7h s ILE 42 Cb 0.01 -1.43 0.01 0.00 -1.58 0.00 0.00 42.46 39.48 3a7h s ILE 42 CO 0.11 0.48 0.97 -0.62 -1.23 0.00 0.00 174.94 174.64 3a7h s ASP 43 N -0.12 6.79 0.53 3.58 -1.08 0.16 -1.25 116.67 125.29 3a7h s ASP 43 Ca -0.02 0.81 0.29 0.00 -0.52 0.00 0.00 52.55 53.11 3a7h s ASP 43 Cb -0.12 -2.49 1.49 0.00 -1.46 0.00 0.00 42.92 40.35 3a7h s ASP 43 CO 0.02 -0.82 2.08 0.78 0.52 0.00 0.00 175.17 177.75 3a7h h ASN 44 N 8.23 0.00 0.02 -0.34 2.35 -1.47 0.55 115.58 124.92 3a7h h ASN 44 Ca -0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3a7h h ASN 44 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3a7h h ASN 44 CO 0.99 0.11 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.77 3a7h h ARG 45 N 0.00 -0.02 0.00 0.81 2.43 -1.91 -3.36 114.38 112.32 3a7h h ARG 45 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a7h h ARG 45 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3a7h h ARG 45 CO 0.01 0.63 -1.21 0.25 -1.51 0.00 0.00 179.97 178.14 3a7h n THR 46 N -4.78 0.23 -1.07 0.20 -2.24 -1.14 -4.96 114.28 100.52 3a7h n THR 46 Ca -0.09 -0.35 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 3a7h n THR 46 Cb 0.33 0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3a7h n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7h n GLN 47 N -2.16 -0.68 -3.01 -0.78 1.13 0.19 -5.02 117.38 107.06 3a7h n GLN 47 Ca 0.00 0.36 -0.33 0.00 -1.94 0.00 0.00 57.00 55.10 3a7h n GLN 47 Cb 0.48 -4.00 -0.06 0.00 0.11 0.00 0.00 30.24 26.77 3a7h n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3a7h s LYS 48 N -1.31 4.11 0.26 -1.09 1.02 -1.24 -4.76 119.74 116.73 3a7h s LYS 48 Ca 0.00 0.86 -0.29 0.00 0.02 0.00 0.00 55.97 56.56 3a7h s LYS 48 Cb 0.00 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.87 3a7h s LYS 48 CO 0.00 0.09 0.94 0.08 -0.92 0.00 0.00 175.35 175.54 3a7h s VAL 49 N -2.04 4.10 0.19 3.17 1.01 -1.26 -0.66 120.40 124.91 3a7h s VAL 49 Ca 0.57 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.57 3a7h s VAL 49 Cb -0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3a7h s VAL 49 CO 0.16 0.40 0.06 0.68 0.00 0.00 0.00 175.10 176.40 3a7h s VAL 50 N -1.30 0.38 -0.17 2.92 -7.23 0.27 -4.38 120.40 110.91 3a7h s VAL 50 Ca 0.44 -1.97 -0.08 0.00 -1.81 0.00 0.00 61.98 58.56 3a7h s VAL 50 Cb -0.24 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 3a7h s VAL 50 CO 0.30 -0.26 0.09 0.00 -0.31 0.00 0.00 175.10 174.92 3a7h s ALA 51 N -3.87 3.57 -0.20 1.32 0.00 0.64 -0.46 121.76 122.76 3a7h s ALA 51 Ca 0.30 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.57 3a7h s ALA 51 Cb 0.07 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3a7h s ALA 51 CO 0.07 0.30 -0.17 0.42 0.00 0.00 0.00 175.76 176.38 3a7h s ILE 52 N -0.02 2.07 -0.25 0.00 1.01 0.13 -0.87 121.20 123.26 3a7h s ILE 52 Ca 0.08 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 3a7h s ILE 52 Cb -0.12 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3a7h s ILE 52 CO 0.00 0.37 0.16 -0.75 0.00 0.00 0.00 174.94 174.73 3a7h s LYS 53 N 1.24 3.97 -0.19 2.79 2.20 0.32 -0.35 119.74 129.73 3a7h s LYS 53 Ca 0.01 -0.32 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 3a7h s LYS 53 Cb -0.15 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 3a7h s LYS 53 CO -0.11 -0.05 -0.07 0.42 -0.36 0.00 0.00 175.35 175.18 3a7h s ILE 54 N 1.37 3.25 -0.08 5.43 1.01 0.43 0.54 121.20 133.16 3a7h s ILE 54 Ca 0.07 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3a7h s ILE 54 Cb -0.15 -2.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.88 3a7h s ILE 54 CO 0.07 0.46 -0.23 -0.63 0.00 0.00 0.00 174.94 174.61 3a7h s ILE 55 N 1.10 1.91 -0.66 2.92 1.01 0.21 -1.68 121.20 126.01 3a7h s ILE 55 Ca 0.01 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 3a7h s ILE 55 Cb -0.15 -1.64 0.07 0.00 0.01 0.00 0.00 42.46 40.75 3a7h s ILE 55 CO -0.01 0.53 1.00 -0.62 0.00 0.00 0.00 174.94 175.83 3a7h s ASP 56 N 0.14 6.18 0.63 3.58 -1.08 -1.26 -0.21 116.67 124.65 3a7h s ASP 56 Ca -0.11 -0.92 0.42 0.00 -0.52 0.00 0.00 52.55 51.42 3a7h s ASP 56 Cb -0.16 -2.43 2.27 0.00 -1.46 0.00 0.00 42.92 41.14 3a7h s ASP 56 CO 0.06 -1.48 2.28 -0.07 0.52 0.00 0.00 175.17 176.48 3a7h h LEU 57 N 11.51 0.00 0.02 -1.34 3.38 -1.32 -1.19 115.31 126.37 3a7h h LEU 57 Ca -0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3a7h h LEU 57 Cb 1.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.83 3a7h h LEU 57 CO 1.19 0.00 -0.33 -0.08 0.09 0.00 0.00 178.44 179.31 3a7h h GLU 58 N 0.00 0.20 -1.80 1.13 4.81 -1.90 -3.23 114.58 113.78 3a7h h GLU 58 Ca 0.00 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3a7h h GLU 58 Cb 0.03 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3a7h h GLU 58 CO 0.00 0.99 0.03 0.39 -0.73 0.00 0.00 179.01 179.68 3a7h n GLU 59 N -4.44 1.05 -3.78 1.92 1.02 -0.45 -4.79 120.64 111.17 3a7h n GLU 59 Ca -0.10 -0.10 -0.03 0.00 -0.02 0.00 0.00 57.16 56.91 3a7h n GLU 59 Cb 0.56 -1.04 -0.01 0.00 -0.02 0.00 0.00 31.44 30.93 3a7h n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a7h s ALA 60 N -0.11 -1.64 0.08 0.62 0.00 -1.21 -4.91 121.76 114.60 3a7h s ALA 60 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3a7h s ALA 60 Cb 0.02 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.79 3a7h s ALA 60 CO 0.00 -1.05 0.00 -0.85 0.00 0.00 0.00 175.76 173.86 3a7h n GLU 61 N -0.52 0.00 0.17 0.00 0.28 -1.26 -4.91 120.64 114.40 3a7h n GLU 61 Ca -0.06 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.08 3a7h n GLU 61 Cb 0.60 0.00 0.36 0.00 1.43 0.00 0.00 31.44 33.84 3a7h n GLU 61 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3a7h h ASP 62 N 0.00 0.00 -0.07 -1.84 3.45 -1.99 -2.85 116.42 113.11 3a7h h ASP 62 Ca 0.00 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 57.24 3a7h h ASP 62 Cb 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3a7h h ASP 62 CO 0.00 0.00 -0.77 -0.33 -1.57 0.00 0.00 179.24 176.57 3a7h h GLU 63 N 0.00 0.73 -0.64 3.56 3.07 -2.00 -3.30 114.58 116.00 3a7h h GLU 63 Ca 0.00 -0.60 0.11 0.00 -0.50 0.00 0.00 59.36 58.38 3a7h h GLU 63 Cb 0.76 0.12 -0.12 0.00 -0.84 0.00 0.00 28.75 28.68 3a7h h GLU 63 CO 0.00 1.21 -0.32 0.82 -1.40 0.00 0.00 179.01 179.31 3a7h h ILE 64 N 0.50 0.17 -0.32 3.13 2.04 -1.85 0.43 117.51 121.60 3a7h h ILE 64 Ca -0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3a7h h ILE 64 Cb 1.39 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 3a7h h ILE 64 CO 0.16 0.00 -0.18 -0.33 0.00 0.00 0.00 178.15 177.80 3a7h h GLU 65 N -0.13 -0.13 -0.52 2.37 3.07 -1.71 0.13 114.58 117.66 3a7h h GLU 65 Ca 0.26 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.10 3a7h h GLU 65 Cb 0.55 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 3a7h h GLU 65 CO -0.71 -0.09 0.23 -0.44 -1.40 0.00 0.00 179.01 176.60 3a7h h ASP 66 N -0.14 0.69 0.22 1.42 3.32 -0.87 -0.31 116.42 120.75 3a7h h ASP 66 Ca 0.16 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3a7h h ASP 66 Cb 0.39 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 3a7h h ASP 66 CO -0.40 0.64 -0.27 0.40 -1.72 0.00 0.00 179.24 177.88 3a7h h ILE 67 N 0.69 0.41 -0.66 0.35 2.04 0.10 0.21 117.51 120.65 3a7h h ILE 67 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 3a7h h ILE 67 Cb 0.14 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 3a7h h ILE 67 CO -0.02 0.00 0.44 -0.61 0.00 0.00 0.00 178.15 177.96 3a7h h GLN 68 N -0.55 0.61 -0.04 2.37 4.15 -0.48 -0.17 115.11 121.00 3a7h h GLN 68 Ca 0.01 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 3a7h h GLN 68 Cb 0.53 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3a7h h GLN 68 CO -0.10 0.41 -0.77 0.37 -1.93 0.00 0.00 178.83 176.81 3a7h h GLN 69 N 0.63 0.31 -0.16 1.69 5.75 -0.22 -0.21 115.11 122.89 3a7h h GLN 69 Ca 0.29 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 3a7h h GLN 69 Cb 0.32 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 3a7h h GLN 69 CO -0.09 0.94 -0.23 1.49 -2.65 0.00 0.00 178.83 178.28 3a7h h GLU 70 N 0.20 0.45 -0.84 1.69 4.81 0.35 -1.33 114.58 119.91 3a7h h GLU 70 Ca -0.04 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 3a7h h GLU 70 Cb 1.36 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.72 3a7h h GLU 70 CO 0.13 0.85 0.50 0.82 -0.73 0.00 0.00 179.01 180.57 3a7h h ILE 71 N 0.08 1.24 0.57 2.32 2.04 -1.07 -0.93 117.51 121.75 3a7h h ILE 71 Ca 0.02 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3a7h h ILE 71 Cb 0.80 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3a7h h ILE 71 CO 0.05 0.25 -0.31 0.74 0.00 0.00 0.00 178.15 178.89 3a7h h THR 72 N 1.16 0.37 -0.87 -0.27 2.02 -0.72 -0.40 112.91 114.20 3a7h h THR 72 Ca 0.30 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.60 3a7h h THR 72 Cb -0.03 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 66.67 3a7h h THR 72 CO -0.05 0.00 0.49 0.58 0.37 0.00 0.00 175.52 176.91 3a7h h VAL 73 N -0.81 0.84 -0.36 3.16 2.07 -1.02 -2.43 116.25 117.71 3a7h h VAL 73 Ca -0.07 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 3a7h h VAL 73 Cb 0.64 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3a7h h VAL 73 CO 0.10 0.14 0.15 -0.07 0.02 0.00 0.00 177.57 177.91 3a7h h LEU 74 N 0.77 0.49 -2.28 2.57 3.38 -0.89 -2.84 115.31 116.50 3a7h h LEU 74 Ca 0.44 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3a7h h LEU 74 Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3a7h h LEU 74 CO -0.29 0.51 0.06 0.77 0.09 0.00 0.00 178.44 179.57 3a7h h SER 75 N 0.43 0.00 1.16 -0.43 4.64 -0.59 -1.10 113.55 117.66 3a7h h SER 75 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3a7h h SER 75 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3a7h h SER 75 CO -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.88 3a7h n GLN 76 N -4.04 0.13 -3.55 4.77 6.02 -1.05 -4.82 117.38 114.84 3a7h n GLN 76 Ca -0.02 0.09 -0.37 0.00 -0.01 0.00 0.00 57.00 56.70 3a7h n GLN 76 Cb 0.16 -1.64 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 3a7h n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a7h s ASP 78 N -1.20 1.63 0.00 0.00 -1.08 -1.26 -4.91 116.67 109.85 3a7h s ASP 78 Ca 0.25 -2.38 -0.10 0.00 -0.52 0.00 0.00 52.55 49.80 3a7h s ASP 78 Cb -0.16 -0.03 0.01 0.00 -1.46 0.00 0.00 42.92 41.28 3a7h s ASP 78 CO 0.13 -0.22 0.21 -0.55 0.52 0.00 0.00 175.17 175.26 3a7h s SER 79 N 0.73 -0.05 0.00 -0.34 0.15 -1.26 -5.02 113.70 107.91 3a7h s SER 79 Ca 0.25 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 57.02 3a7h s SER 79 Cb -0.09 0.25 1.38 0.00 -1.71 0.00 0.00 66.02 65.85 3a7h s SER 79 CO -0.08 -0.43 1.87 -0.81 1.20 0.00 0.00 173.24 174.99 3a7h n PRO 80 N 1.26 0.53 -0.00 5.44 -0.04 -1.26 -2.97 135.00 137.96 3a7h n PRO 80 Ca -0.22 0.03 0.10 0.00 -0.04 0.00 0.00 63.50 63.37 3a7h n PRO 80 Cb 0.56 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 3a7h n PRO 80 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a7h n TYR 81 N -1.18 0.01 -5.01 0.54 4.01 -1.26 -4.78 117.16 109.50 3a7h n TYR 81 Ca 0.15 -0.01 -0.29 0.00 -0.16 0.00 0.00 57.90 57.59 3a7h n TYR 81 Cb 0.16 -0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.02 3a7h n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a7h s VAL 82 N -1.63 1.75 0.00 -0.72 1.01 -1.16 0.32 120.40 119.97 3a7h s VAL 82 Ca 0.23 -0.84 -0.36 0.00 0.00 0.00 0.00 61.98 61.01 3a7h s VAL 82 Cb 0.16 -1.53 -0.15 0.00 0.00 0.00 0.00 36.38 34.87 3a7h s VAL 82 CO 0.25 0.49 1.59 0.35 0.00 0.00 0.00 175.10 177.77 3a7h n THR 83 N 3.59 0.17 -2.39 3.92 -2.24 -0.59 -4.62 114.28 112.11 3a7h n THR 83 Ca -0.20 -0.03 -0.37 0.00 -2.27 0.00 0.00 64.05 61.18 3a7h n THR 83 Cb 0.53 -1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 67.44 3a7h n THR 83 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7h s LYS 84 N 1.87 3.97 -0.13 -0.78 -0.14 -1.26 -4.91 119.74 118.35 3a7h s LYS 84 Ca 0.87 1.66 -0.00 0.00 -1.36 0.00 0.00 55.97 57.14 3a7h s LYS 84 Cb -0.85 -2.49 -0.02 0.00 -1.68 0.00 0.00 37.83 32.79 3a7h s LYS 84 CO 0.49 -0.35 -0.12 -0.47 -0.76 0.00 0.00 175.35 174.14 3a7h s TYR 85 N -1.59 2.83 -0.33 3.18 6.04 -1.26 -1.25 117.35 124.97 3a7h s TYR 85 Ca 0.60 -0.63 0.15 0.00 0.04 0.00 0.00 57.07 57.24 3a7h s TYR 85 Cb -0.26 -1.86 0.45 0.00 -1.04 0.00 0.00 41.96 39.25 3a7h s TYR 85 CO 0.32 -0.21 1.35 0.66 -1.54 0.00 0.00 175.55 176.13 3a7h n TYR 86 N 3.55 0.74 0.00 4.97 0.53 0.80 -4.96 117.16 122.80 3a7h n TYR 86 Ca -0.18 -0.80 0.00 0.00 -1.02 0.00 0.00 57.90 55.90 3a7h n TYR 86 Cb 0.53 -0.23 0.00 0.00 -1.03 0.00 0.00 39.34 38.60 3a7h n TYR 86 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3a7h n GLY 87 N -0.37 2.39 3.23 2.72 0.00 -1.25 -4.87 105.19 107.05 3a7h n GLY 87 Ca 0.18 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.02 3a7h n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7h s SER 88 N 0.00 1.94 0.02 1.61 0.01 -0.54 -1.20 113.70 115.53 3a7h s SER 88 Ca 0.00 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.48 3a7h s SER 88 Cb 0.00 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.15 3a7h s SER 88 CO 0.00 -0.15 -0.07 -0.31 0.41 0.00 0.00 173.24 173.12 3a7h s TYR 89 N -2.12 0.58 -0.20 2.43 2.02 -0.54 0.26 117.35 119.78 3a7h s TYR 89 Ca 0.08 -0.30 0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3a7h s TYR 89 Cb -0.05 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.18 3a7h s TYR 89 CO 0.03 -0.05 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.63 3a7h s LEU 90 N -0.89 2.46 -0.24 -1.29 2.96 -1.26 0.05 118.68 120.46 3a7h s LEU 90 Ca -0.04 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.19 3a7h s LEU 90 Cb -0.06 -1.54 0.05 0.00 0.50 0.00 0.00 46.19 45.14 3a7h s LEU 90 CO 0.00 -0.03 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.12 3a7h s LYS 91 N 1.30 2.41 6.91 1.98 2.47 -0.08 -4.91 119.74 129.82 3a7h s LYS 91 Ca 0.03 -1.23 0.00 0.00 -1.56 0.00 0.00 55.97 53.21 3a7h s LYS 91 Cb -0.14 -2.83 0.00 0.00 -1.46 0.00 0.00 37.83 33.40 3a7h s LYS 91 CO -0.10 -0.49 0.00 -0.25 0.16 0.00 0.00 175.35 174.66 3a7h n ASP 92 N 4.48 0.00 -0.75 1.43 8.00 -1.26 -1.09 116.55 127.36 3a7h n ASP 92 Ca -0.15 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.46 3a7h n ASP 92 Cb 0.44 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.86 3a7h n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a7h n THR 93 N 0.00 0.19 -4.04 -3.53 -2.24 -1.26 -4.89 114.28 98.51 3a7h n THR 93 Ca 0.00 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 3a7h n THR 93 Cb 0.00 0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 68.89 3a7h n THR 93 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7h s LYS 94 N -1.81 3.95 -0.21 -0.78 1.02 -0.25 -0.79 119.74 120.88 3a7h s LYS 94 Ca 0.34 -0.36 -0.17 0.00 0.02 0.00 0.00 55.97 55.81 3a7h s LYS 94 Cb 0.20 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3a7h s LYS 94 CO 0.30 0.28 0.46 -1.17 -0.92 0.00 0.00 175.35 174.29 3a7h s LEU 95 N 0.36 4.13 -0.39 3.17 2.96 0.71 -0.90 118.68 128.71 3a7h s LEU 95 Ca 0.02 0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 54.36 3a7h s LEU 95 Cb -0.12 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 43.98 3a7h s LEU 95 CO 0.00 -0.15 0.26 0.26 -1.32 0.00 0.00 176.35 175.40 3a7h s TRP 96 N 1.62 3.24 -0.25 5.38 0.52 0.11 -0.62 118.94 128.94 3a7h s TRP 96 Ca 0.21 -0.66 -0.10 0.00 0.02 0.00 0.00 56.10 55.57 3a7h s TRP 96 Cb -0.15 -2.53 -0.05 0.00 -1.15 0.00 0.00 33.47 29.59 3a7h s TRP 96 CO 0.09 -0.58 0.15 0.42 0.02 0.00 0.00 176.95 177.05 3a7h s ILE 97 N 1.65 5.17 -0.27 2.03 1.01 0.19 -1.46 121.20 129.51 3a7h s ILE 97 Ca 0.04 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 3a7h s ILE 97 Cb -0.19 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3a7h s ILE 97 CO 0.09 0.33 0.23 -0.63 0.00 0.00 0.00 174.94 174.95 3a7h s ILE 98 N 1.27 5.29 0.16 2.92 -1.09 -0.34 -0.52 121.20 128.89 3a7h s ILE 98 Ca 0.07 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 3a7h s ILE 98 Cb -0.14 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3a7h s ILE 98 CO 0.06 0.25 -0.00 -0.04 -1.23 0.00 0.00 174.94 173.98 3a7h s MET 99 N 1.68 1.05 0.25 2.79 -1.94 -0.05 -0.14 119.30 122.94 3a7h s MET 99 Ca 0.09 -1.50 -0.31 0.00 -1.71 0.00 0.00 55.69 52.26 3a7h s MET 99 Cb -0.15 -0.21 -0.12 0.00 2.01 0.00 0.00 34.83 36.35 3a7h s MET 99 CO 0.10 -0.13 1.63 -1.91 -0.01 0.00 0.00 175.02 174.70 3a7h n GLU 100 N -0.20 2.63 -3.19 2.03 2.13 -0.38 -0.26 120.64 123.40 3a7h n GLU 100 Ca -0.07 0.94 -0.39 0.00 0.66 0.00 0.00 57.16 58.30 3a7h n GLU 100 Cb 0.63 -2.74 -0.06 0.00 0.27 0.00 0.00 31.44 29.54 3a7h n GLU 100 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3a7h s TYR 101 N 0.52 3.73 -0.30 4.31 5.04 -1.26 -4.40 117.35 125.00 3a7h s TYR 101 Ca 0.70 1.26 -0.03 0.00 -2.44 0.00 0.00 57.07 56.56 3a7h s TYR 101 Cb -0.53 -2.60 0.11 0.00 0.35 0.00 0.00 41.96 39.29 3a7h s TYR 101 CO 0.41 0.41 0.18 -0.51 -1.34 0.00 0.00 175.55 174.70 3a7h s LEU 102 N -0.45 0.40 -0.08 6.97 1.43 -1.26 -4.93 118.68 120.75 3a7h s LEU 102 Ca 0.31 -1.26 0.17 0.00 -1.03 0.00 0.00 54.13 52.32 3a7h s LEU 102 Cb -0.19 -0.16 0.62 0.00 0.03 0.00 0.00 46.19 46.49 3a7h s LEU 102 CO 0.18 -0.42 1.51 0.61 0.23 0.00 0.00 176.35 178.47 3a7h n GLY 103 N 5.15 2.29 0.19 -3.19 0.00 -1.24 -4.31 105.19 104.08 3a7h n GLY 103 Ca -0.03 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.39 3a7h n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3a7h h GLY 104 N 4.44 0.00 0.00 -0.02 0.00 -0.75 -3.44 103.07 103.31 3a7h h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a7h h GLY 104 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.32 3a7h n GLY 105 N 0.60 1.22 3.91 4.60 0.00 -1.23 -4.84 105.19 109.45 3a7h n GLY 105 Ca 0.03 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 3a7h n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a7h s SER 106 N -0.15 5.73 0.34 1.61 1.04 -1.26 -1.45 113.70 119.56 3a7h s SER 106 Ca 0.00 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.31 3a7h s SER 106 Cb 0.00 -1.87 0.69 0.00 0.10 0.00 0.00 66.02 64.95 3a7h s SER 106 CO 0.00 -1.00 1.93 0.00 0.98 0.00 0.00 173.24 175.16 3a7h h ALA 107 N -0.16 1.67 -0.47 5.32 0.00 0.09 -1.30 119.26 124.41 3a7h h ALA 107 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3a7h h ALA 107 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3a7h h ALA 107 CO 0.61 0.19 0.27 1.25 0.00 0.00 0.00 179.25 181.58 3a7h h LEU 108 N 0.82 0.57 -0.79 0.00 5.85 -1.76 -2.57 115.31 117.44 3a7h h LEU 108 Ca 0.35 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.08 3a7h h LEU 108 Cb 0.31 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3a7h h LEU 108 CO -0.13 0.48 0.46 0.44 -0.34 0.00 0.00 178.44 179.35 3a7h h ASP 109 N 0.62 0.69 0.60 1.25 3.45 -1.58 -1.90 116.42 119.55 3a7h h ASP 109 Ca 0.17 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3a7h h ASP 109 Cb 0.02 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 38.69 3a7h h ASP 109 CO -0.03 0.42 0.00 0.18 -1.57 0.00 0.00 179.24 178.24 3a7h n LEU 110 N -4.72 0.23 0.16 1.55 4.77 -0.77 -1.28 117.00 116.93 3a7h n LEU 110 Ca 0.12 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 3a7h n LEU 110 Cb 0.22 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 40.88 3a7h n LEU 110 CO 0.29 -0.35 0.45 -0.07 -1.33 0.00 0.00 177.39 176.38 3a7h h LEU 111 N 0.00 0.00 -0.62 2.23 3.38 -1.18 -3.39 115.31 115.72 3a7h h LEU 111 Ca 0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3a7h h LEU 111 Cb 0.30 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 3a7h h LEU 111 CO 0.00 0.00 -0.20 -0.33 0.09 0.00 0.00 178.44 178.00 3a7h h GLU 112 N 0.00 -0.04 0.00 1.13 4.39 -1.17 -1.79 114.58 117.09 3a7h h GLU 112 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3a7h h GLU 112 Cb 0.99 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3a7h h GLU 112 CO 0.00 -0.03 0.00 -2.30 -1.16 0.00 0.00 179.01 175.52 3a7h n PRO 113 N -5.44 0.15 -3.96 2.33 -0.02 -1.26 -4.97 135.00 121.84 3a7h n PRO 113 Ca 0.07 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3a7h n PRO 113 Cb 0.34 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 3a7h n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a7h n GLY 114 N 0.17 -2.51 3.82 -1.23 0.00 -0.67 -5.14 105.19 99.62 3a7h n GLY 114 Ca 0.03 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3a7h n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a7h s PRO 115 N -1.98 2.71 0.22 1.61 0.04 -1.26 -4.55 135.00 131.79 3a7h s PRO 115 Ca 0.00 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 3a7h s PRO 115 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3a7h s PRO 115 CO 0.00 -1.22 0.45 -0.51 0.04 0.00 0.00 177.00 175.76 3a7h s LEU 116 N -5.58 4.17 0.60 -3.56 1.43 -1.26 -5.07 118.68 109.41 3a7h s LEU 116 Ca 0.59 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3a7h s LEU 116 Cb -0.14 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 42.76 3a7h s LEU 116 CO 0.55 -0.08 0.84 1.51 0.23 0.00 0.00 176.35 179.40 3a7h s ASP 117 N -2.94 5.11 0.50 2.29 3.84 -1.26 -4.90 116.67 119.32 3a7h s ASP 117 Ca 0.42 0.08 0.22 0.00 -0.00 0.00 0.00 52.55 53.26 3a7h s ASP 117 Cb -0.11 -0.88 1.32 0.00 -1.38 0.00 0.00 42.92 41.87 3a7h s ASP 117 CO 0.28 -1.29 2.07 -0.33 -0.00 0.00 0.00 175.17 175.90 3a7h h GLU 118 N -0.12 0.00 -0.39 2.11 5.08 -1.99 -1.50 114.58 117.77 3a7h h GLU 118 Ca -0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 3a7h h GLU 118 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 3a7h h GLU 118 CO 0.53 0.12 -0.14 1.15 -1.00 0.00 0.00 179.01 179.67 3a7h h THR 119 N 0.00 1.28 -0.29 1.13 2.02 -1.94 -0.17 112.91 114.93 3a7h h THR 119 Ca -0.00 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 65.88 3a7h h THR 119 Cb 0.26 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3a7h h THR 119 CO 0.02 0.42 0.01 1.56 0.37 0.00 0.00 175.52 177.89 3a7h h GLN 120 N 0.60 0.51 -0.31 6.66 4.20 -1.66 -0.83 115.11 124.26 3a7h h GLN 120 Ca 0.09 -0.16 0.03 0.00 0.06 0.00 0.00 58.65 58.67 3a7h h GLN 120 Cb 0.68 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 3a7h h GLN 120 CO 0.05 0.65 0.14 0.82 -0.67 0.00 0.00 178.83 179.81 3a7h h ILE 121 N 0.30 0.96 -0.61 2.54 2.04 -1.25 -1.11 117.51 120.37 3a7h h ILE 121 Ca 0.08 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 3a7h h ILE 121 Cb 0.41 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3a7h h ILE 121 CO 0.01 0.05 0.09 0.00 0.00 0.00 0.00 178.15 178.30 3a7h h ALA 122 N 1.18 1.00 -0.46 1.87 0.00 -0.96 0.33 119.26 122.21 3a7h h ALA 122 Ca 0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3a7h h ALA 122 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a7h h ALA 122 CO -0.11 0.63 0.01 1.15 0.00 0.00 0.00 179.25 180.93 3a7h h THR 123 N 0.94 1.26 -0.21 0.00 2.02 -0.82 0.35 112.91 116.46 3a7h h THR 123 Ca 0.19 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 3a7h h THR 123 Cb 0.43 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3a7h h THR 123 CO 0.01 0.36 -0.15 0.40 0.37 0.00 0.00 175.52 176.51 3a7h h ILE 124 N 0.66 1.32 -0.89 3.11 2.04 -0.92 -2.55 117.51 120.27 3a7h h ILE 124 Ca 0.13 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3a7h h ILE 124 Cb 0.49 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 3a7h h ILE 124 CO 0.02 0.39 0.47 -0.07 0.00 0.00 0.00 178.15 178.96 3a7h h LEU 125 N 0.15 1.13 -0.51 1.44 3.38 -0.89 -1.41 115.31 118.61 3a7h h LEU 125 Ca 0.04 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.94 3a7h h LEU 125 Cb 0.67 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3a7h h LEU 125 CO 0.04 0.92 0.27 -0.09 0.09 0.00 0.00 178.44 179.67 3a7h h ARG 126 N 1.25 0.51 -0.54 1.13 2.43 -0.78 0.24 114.38 118.63 3a7h h ARG 126 Ca 0.31 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3a7h h ARG 126 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3a7h h ARG 126 CO -0.05 0.34 0.03 0.93 -1.51 0.00 0.00 179.97 179.71 3a7h h GLU 127 N 0.53 0.90 -0.58 0.20 4.39 -1.02 -1.55 114.58 117.45 3a7h h GLU 127 Ca 0.22 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3a7h h GLU 127 Cb 0.10 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3a7h h GLU 127 CO -0.14 0.87 0.18 0.82 -1.16 0.00 0.00 179.01 179.59 3a7h h ILE 128 N 0.84 1.24 -0.77 3.13 2.04 -0.82 -2.20 117.51 120.96 3a7h h ILE 128 Ca 0.16 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3a7h h ILE 128 Cb 0.45 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3a7h h ILE 128 CO 0.02 0.31 0.51 -0.07 0.00 0.00 0.00 178.15 178.91 3a7h h LEU 129 N 0.81 0.77 -0.78 1.44 3.38 -0.58 0.95 115.31 121.31 3a7h h LEU 129 Ca 0.19 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 3a7h h LEU 129 Cb 0.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3a7h h LEU 129 CO -0.01 0.52 0.06 0.11 0.09 0.00 0.00 178.44 179.21 3a7h h LYS 130 N 0.89 0.98 -0.23 1.13 1.57 -0.72 0.73 116.57 120.92 3a7h h LYS 130 Ca 0.32 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.68 3a7h h LYS 130 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3a7h h LYS 130 CO -0.10 0.93 -0.49 0.78 -0.57 0.00 0.00 179.45 179.99 3a7h h GLY 131 N 1.02 0.67 1.12 3.86 0.00 -0.59 -1.48 103.07 107.67 3a7h h GLY 131 Ca 0.18 -0.74 -0.15 0.00 0.00 0.00 0.00 47.33 46.62 3a7h h GLY 131 CO 0.02 0.67 -0.32 1.41 0.00 0.00 0.00 176.54 178.31 3a7h h LEU 132 N 0.49 1.02 -0.26 3.11 3.38 -0.58 -0.68 115.31 121.79 3a7h h LEU 132 Ca 0.02 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3a7h h LEU 132 Cb 1.03 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3a7h h LEU 132 CO 0.10 1.24 0.15 -0.78 0.09 0.00 0.00 178.44 179.24 3a7h h ASP 133 N 0.81 0.25 -0.15 -0.43 3.58 -0.80 0.11 116.42 119.79 3a7h h ASP 133 Ca 0.08 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.57 3a7h h ASP 133 Cb 0.91 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 3a7h h ASP 133 CO 0.08 0.18 -0.08 0.22 -2.88 0.00 0.00 179.24 176.77 3a7h h TYR 134 N 0.32 -0.19 -0.42 0.28 3.20 -1.02 -1.52 116.97 117.63 3a7h h TYR 134 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3a7h h TYR 134 Cb -0.01 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3a7h h TYR 134 CO -0.07 -0.13 0.21 -0.07 -1.64 0.00 0.00 178.16 176.46 3a7h h LEU 135 N -0.07 0.54 -1.24 2.82 3.38 -0.73 -2.65 115.31 117.37 3a7h h LEU 135 Ca 0.09 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3a7h h LEU 135 Cb 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3a7h h LEU 135 CO -0.20 0.50 -0.36 0.45 0.09 0.00 0.00 178.44 178.92 3a7h h HIS 136 N 0.54 0.04 0.00 1.13 3.86 -0.73 0.71 115.15 120.72 3a7h h HIS 136 Ca 0.15 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3a7h h HIS 136 Cb 0.09 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3a7h h HIS 136 CO -0.02 0.39 0.00 0.66 0.86 0.00 0.00 177.93 179.83 3a7h h SER 137 N 0.03 0.00 -0.47 2.45 4.64 -0.97 -2.38 113.55 116.85 3a7h h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a7h h SER 137 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3a7h h SER 137 CO 0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 3a7h n GLU 138 N -2.81 3.30 -3.03 4.77 -0.58 -0.59 -4.98 120.64 116.71 3a7h n GLU 138 Ca 0.02 -2.64 -0.22 0.00 -0.42 0.00 0.00 57.16 53.89 3a7h n GLU 138 Cb 0.33 -1.70 0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3a7h n GLU 138 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3a7h n LYS 139 N 0.56 -4.42 -4.23 3.49 4.76 -0.90 -4.94 118.16 112.48 3a7h n LYS 139 Ca 0.21 0.83 -0.28 0.00 -2.87 0.00 0.00 58.31 56.20 3a7h n LYS 139 Cb 0.76 -5.66 -0.09 0.00 -1.84 0.00 0.00 35.03 28.21 3a7h n LYS 139 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3a7h s LYS 140 N -5.71 2.23 -0.08 1.97 1.02 0.14 -1.00 119.74 118.31 3a7h s LYS 140 Ca 0.30 -1.12 0.03 0.00 0.02 0.00 0.00 55.97 55.20 3a7h s LYS 140 Cb -0.14 -2.29 0.00 0.00 -0.52 0.00 0.00 37.83 34.88 3a7h s LYS 140 CO 0.37 0.47 -0.19 0.42 -0.92 0.00 0.00 175.35 175.50 3a7h s ILE 141 N -1.56 1.67 -0.06 2.17 1.01 -0.17 -3.79 121.20 120.48 3a7h s ILE 141 Ca 0.25 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.84 3a7h s ILE 141 Cb -0.10 -1.46 -0.22 0.00 0.01 0.00 0.00 42.46 40.69 3a7h s ILE 141 CO 0.16 0.47 1.09 -0.74 0.00 0.00 0.00 174.94 175.92 3a7h h HIS 142 N 6.75 0.06 0.00 3.97 -0.00 -1.93 0.92 115.15 124.92 3a7h h HIS 142 Ca -0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3a7h h HIS 142 Cb 1.21 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3a7h h HIS 142 CO 0.47 0.72 0.00 0.54 -0.00 0.00 0.00 177.93 179.66 3a7h n ARG 143 N -4.71 0.00 -2.68 5.26 1.74 -1.26 -3.03 116.66 111.97 3a7h n ARG 143 Ca -0.09 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3a7h n ARG 143 Cb 0.36 -2.25 0.02 0.00 -1.02 0.00 0.00 32.46 29.58 3a7h n ARG 143 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a7h n ASP 144 N 0.00 1.60 -4.69 0.55 2.03 -1.26 -4.09 116.55 110.68 3a7h n ASP 144 Ca 0.00 -2.79 -0.42 0.00 0.52 0.00 0.00 54.79 52.10 3a7h n ASP 144 Cb 0.00 -0.53 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 3a7h n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3a7h s ILE 145 N -3.22 4.82 -0.13 5.18 -1.09 -1.26 -4.78 121.20 120.71 3a7h s ILE 145 Ca 0.29 2.02 -0.32 0.00 -2.23 0.00 0.00 60.65 60.41 3a7h s ILE 145 Cb 0.45 -4.30 0.13 0.00 -1.58 0.00 0.00 42.46 37.15 3a7h s ILE 145 CO 0.02 0.05 1.09 -1.59 -1.23 0.00 0.00 174.94 173.29 3a7h s LYS 146 N 1.72 0.48 0.50 2.79 -2.85 -1.26 -4.73 119.74 116.39 3a7h s LYS 146 Ca 0.49 -0.14 0.18 0.00 -1.00 0.00 0.00 55.97 55.50 3a7h s LYS 146 Cb -0.19 0.22 1.25 0.00 -2.06 0.00 0.00 37.83 37.05 3a7h s LYS 146 CO 0.20 -0.20 2.06 0.00 0.10 0.00 0.00 175.35 177.51 3a7h h ALA 147 N 2.05 2.17 0.00 0.59 0.00 -1.93 0.16 119.26 122.29 3a7h h ALA 147 Ca -0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3a7h h ALA 147 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a7h h ALA 147 CO 0.26 -0.24 -0.08 0.00 0.00 0.00 0.00 179.25 179.19 3a7h h ALA 148 N 1.84 1.17 -0.64 0.00 0.00 -1.94 -2.52 119.26 117.17 3a7h h ALA 148 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a7h h ALA 148 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3a7h h ALA 148 CO -0.02 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.42 3a7h n ASN 149 N -3.42 4.82 -4.20 0.00 3.02 0.54 -4.77 115.26 111.25 3a7h n ASN 149 Ca -0.01 -2.48 -0.36 0.00 -0.03 0.00 0.00 54.58 51.70 3a7h n ASN 149 Cb 0.23 -0.58 -0.13 0.00 -0.61 0.00 0.00 39.78 38.68 3a7h n ASN 149 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a7h s VAL 150 N -1.91 3.21 0.14 2.41 1.01 -0.97 -1.35 120.40 122.93 3a7h s VAL 150 Ca 0.51 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 61.19 3a7h s VAL 150 Cb 0.33 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3a7h s VAL 150 CO 0.24 -0.14 0.17 -0.76 0.00 0.00 0.00 175.10 174.61 3a7h s LEU 151 N 1.29 4.00 0.09 3.92 1.43 -0.14 0.30 118.68 129.57 3a7h s LEU 151 Ca -0.04 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 3a7h s LEU 151 Cb -0.20 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3a7h s LEU 151 CO -0.00 0.09 -0.20 -0.76 0.23 0.00 0.00 176.35 175.71 3a7h s LEU 152 N -2.97 2.28 0.65 1.79 1.02 -0.53 -0.35 118.68 120.57 3a7h s LEU 152 Ca 0.32 -0.66 -0.07 0.00 0.02 0.00 0.00 54.13 53.74 3a7h s LEU 152 Cb -0.11 -0.86 0.03 0.00 0.02 0.00 0.00 46.19 45.27 3a7h s LEU 152 CO 0.25 0.06 0.98 -0.94 0.02 0.00 0.00 176.35 176.72 3a7h s SER 153 N -1.80 5.27 0.39 2.29 1.04 -0.23 -0.22 113.70 120.43 3a7h s SER 153 Ca 0.06 0.69 0.28 0.00 0.48 0.00 0.00 55.95 57.46 3a7h s SER 153 Cb -0.10 -1.52 1.32 0.00 0.10 0.00 0.00 66.02 65.82 3a7h s SER 153 CO 0.04 -1.32 1.85 -0.33 0.98 0.00 0.00 173.24 174.45 3a7h h GLU 154 N -0.43 0.00 -0.62 4.02 5.08 -1.91 -1.10 114.58 119.63 3a7h h GLU 154 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3a7h h GLU 154 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3a7h h GLU 154 CO 0.61 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 179.34 3a7h n HIS 155 N -2.53 1.06 -0.44 4.33 8.25 -1.26 -4.81 115.22 119.82 3a7h n HIS 155 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3a7h n HIS 155 Cb 0.17 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3a7h n HIS 155 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a7h n GLY 156 N 1.14 0.82 3.77 -1.41 0.00 -0.42 -4.30 105.19 104.79 3a7h n GLY 156 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3a7h n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 157 N -0.51 3.70 -0.19 1.61 8.01 -1.26 -4.71 118.70 125.36 3a7h s GLU 157 Ca 0.00 1.84 -0.01 0.00 0.01 0.00 0.00 54.97 56.81 3a7h s GLU 157 Cb 0.00 -2.41 -0.00 0.00 -4.31 0.00 0.00 34.13 27.41 3a7h s GLU 157 CO 0.00 -0.62 -0.12 0.08 0.01 0.00 0.00 175.26 174.62 3a7h s VAL 158 N -1.50 2.85 0.08 2.63 1.01 -1.26 -1.07 120.40 123.14 3a7h s VAL 158 Ca 0.64 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3a7h s VAL 158 Cb -0.30 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3a7h s VAL 158 CO 0.37 0.48 -0.11 -0.54 0.00 0.00 0.00 175.10 175.30 3a7h s LYS 159 N 1.16 0.80 0.28 2.72 3.01 0.52 -4.68 119.74 123.55 3a7h s LYS 159 Ca 0.01 -1.05 -0.28 0.00 -1.01 0.00 0.00 55.97 53.64 3a7h s LYS 159 Cb -0.14 -0.58 -0.09 0.00 -1.01 0.00 0.00 37.83 36.00 3a7h s LYS 159 CO -0.04 0.10 0.97 -0.51 0.51 0.00 0.00 175.35 176.38 3a7h s LEU 160 N -2.14 4.51 0.33 3.17 1.43 0.15 -0.96 118.68 125.16 3a7h s LEU 160 Ca 0.01 1.96 0.06 0.00 -1.03 0.00 0.00 54.13 55.13 3a7h s LEU 160 Cb -0.06 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 3a7h s LEU 160 CO 0.01 0.01 0.23 0.00 0.23 0.00 0.00 176.35 176.83 3a7h s ALA 161 N -1.34 1.97 -0.70 4.21 0.00 -0.46 -1.55 121.76 123.90 3a7h s ALA 161 Ca 0.45 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.50 3a7h s ALA 161 Cb -0.24 1.33 0.00 0.00 0.00 0.00 0.00 23.12 24.21 3a7h s ALA 161 CO 0.30 -0.59 0.67 -3.47 0.00 0.00 0.00 175.76 172.67 3a7h n ASP 162 N -1.33 -7.32 -1.10 0.00 -0.08 -1.26 -4.83 116.55 100.62 3a7h n ASP 162 Ca 0.04 -0.12 0.01 0.00 -1.51 0.00 0.00 54.79 53.22 3a7h n ASP 162 Cb 0.63 -4.68 0.15 0.00 2.34 0.00 0.00 41.12 39.57 3a7h n ASP 162 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3a7h n PHE 163 N -1.63 0.87 0.06 -0.67 3.72 -1.26 -4.57 117.46 113.98 3a7h n PHE 163 Ca -0.03 -0.37 0.19 0.00 -0.05 0.00 0.00 57.45 57.19 3a7h n PHE 163 Cb 0.53 -0.29 0.73 0.00 -0.94 0.00 0.00 39.48 39.50 3a7h n PHE 163 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3a7h h GLY 164 N 4.41 0.00 -0.06 1.37 0.00 -1.92 -1.08 103.07 105.80 3a7h h GLY 164 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3a7h h GLY 164 CO 0.22 0.00 -0.03 3.33 0.00 0.00 0.00 176.54 180.06 3a7h n VAL 165 N -4.13 1.44 -1.68 4.60 0.24 -1.26 -4.88 118.33 112.66 3a7h n VAL 165 Ca 0.07 -1.66 -0.39 0.00 -2.04 0.00 0.00 64.34 60.32 3a7h n VAL 165 Cb 0.55 0.07 0.03 0.00 -1.47 0.00 0.00 33.84 33.03 3a7h n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a7h n ALA 166 N -1.01 0.98 -2.58 2.33 0.00 -0.41 -4.76 120.51 115.06 3a7h n ALA 166 Ca 0.10 0.16 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 3a7h n ALA 166 Cb 0.52 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 3a7h n ALA 166 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a7h s GLY 167 N -0.84 1.73 -0.18 0.00 0.00 0.32 -4.96 107.32 103.39 3a7h s GLY 167 Ca 0.68 -1.69 0.01 0.00 0.00 0.00 0.00 44.72 43.72 3a7h s GLY 167 CO 0.53 -1.75 -0.18 1.20 0.00 0.00 0.00 173.10 172.89 3a7h s GLN 168 N -3.47 3.04 -1.23 2.90 -1.52 -1.26 -1.00 119.66 117.13 3a7h s GLN 168 Ca 0.30 -0.81 -0.05 0.00 -1.95 0.00 0.00 55.36 52.85 3a7h s GLN 168 Cb -0.06 -2.60 0.19 0.00 -0.22 0.00 0.00 33.01 30.32 3a7h s GLN 168 CO 0.17 -0.18 2.05 1.28 -0.25 0.00 0.00 175.29 178.37 3a7h n LEU 169 N 4.55 7.40 0.00 2.90 4.77 -0.17 -4.96 117.00 131.48 3a7h n LEU 169 Ca -0.20 -4.97 -0.00 0.00 -0.03 0.00 0.00 56.01 50.81 3a7h n LEU 169 Cb 0.50 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3a7h n LEU 169 CO 0.27 1.85 0.00 0.35 -1.33 0.00 0.00 177.39 178.53 3a7h n THR 170 N 1.71 0.00 -0.03 -5.08 -2.24 -1.17 -4.74 114.28 102.74 3a7h n THR 170 Ca 0.50 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.18 3a7h n THR 170 Cb 0.29 -1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 3a7h n THR 170 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3a7h h ASP 171 N -0.74 -0.94 -0.47 3.42 3.32 -2.00 -2.91 116.42 116.12 3a7h h ASP 171 Ca -0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3a7h h ASP 171 Cb 0.01 0.42 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3a7h h ASP 171 CO 0.00 -0.33 0.00 0.35 -1.72 0.00 0.00 179.24 177.54 3a7h n THR 172 N -5.40 1.07 -3.03 0.35 -2.24 -1.26 -4.57 114.28 99.20 3a7h n THR 172 Ca -0.02 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 60.88 3a7h n THR 172 Cb 0.32 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3a7h n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7h s GLN 173 N -1.61 0.98 0.00 -0.78 -2.07 -1.10 -5.01 119.66 110.06 3a7h s GLN 173 Ca 0.35 -1.36 0.23 0.00 -1.82 0.00 0.00 55.36 52.76 3a7h s GLN 173 Cb 0.21 -0.54 1.28 0.00 -1.09 0.00 0.00 33.01 32.87 3a7h s GLN 173 CO 0.19 -1.33 1.76 0.44 -1.32 0.00 0.00 175.29 175.03 3a7h n ILE 174 N 3.06 0.15 -3.73 3.63 -5.35 -1.24 -3.04 119.36 112.84 3a7h n ILE 174 Ca 0.21 0.04 -0.13 0.00 -0.27 0.00 0.00 62.75 62.60 3a7h n ILE 174 Cb 0.53 -0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 37.69 3a7h n ILE 174 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3a7h s LYS 175 N -2.30 0.77 0.43 6.28 1.02 -1.26 -4.87 119.74 119.81 3a7h s LYS 175 Ca 0.28 -0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.10 3a7h s LYS 175 Cb 0.16 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.80 3a7h s LYS 175 CO 0.31 -0.23 0.42 1.03 -0.92 0.00 0.00 175.35 175.96 3a7h s ARG 176 N -1.75 2.54 -0.37 1.68 1.81 0.22 -4.81 118.95 118.27 3a7h s ARG 176 Ca -0.10 -1.54 0.02 0.00 -1.72 0.00 0.00 55.73 52.38 3a7h s ARG 176 Cb -0.03 -2.41 0.15 0.00 -0.45 0.00 0.00 34.95 32.21 3a7h s ARG 176 CO 0.02 -0.25 0.29 -0.80 -0.68 0.00 0.00 175.30 173.88 3a7h s ASN 177 N -4.18 2.09 -0.35 0.23 0.01 -1.26 -1.02 114.94 110.46 3a7h s ASN 177 Ca 0.49 -2.05 -0.01 0.00 -0.71 0.00 0.00 52.86 50.58 3a7h s ASN 177 Cb -0.04 -0.01 0.12 0.00 0.41 0.00 0.00 41.25 41.73 3a7h s ASN 177 CO 0.28 -0.27 0.18 0.12 -1.51 0.00 0.00 177.10 175.90 3a7h s PHE 179 N 1.09 1.09 0.05 2.20 5.99 -1.26 -4.59 117.98 122.55 3a7h s PHE 179 Ca 0.19 -1.66 -0.04 0.00 0.00 0.00 0.00 56.93 55.43 3a7h s PHE 179 Cb -0.17 -1.27 -0.02 0.00 0.00 0.00 0.00 43.02 41.55 3a7h s PHE 179 CO -0.02 -0.83 0.05 0.54 -0.00 0.00 0.00 175.22 174.96 3a7h s VAL 180 N 1.24 0.17 0.00 3.12 0.11 -1.26 -5.11 120.40 118.67 3a7h s VAL 180 Ca 0.14 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.77 3a7h s VAL 180 Cb -0.21 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 3a7h s VAL 180 CO -0.12 -0.78 0.00 0.61 -3.33 0.00 0.00 175.10 171.48 3a7h n GLY 181 N 0.33 0.08 3.29 6.54 0.00 -1.26 -4.95 105.19 109.22 3a7h n GLY 181 Ca -0.16 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.25 3a7h n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a7h s THR 182 N 0.00 3.32 0.15 2.61 2.01 -1.26 -5.03 115.64 117.44 3a7h s THR 182 Ca 0.00 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.28 3a7h s THR 182 Cb 0.00 -2.54 0.13 0.00 0.01 0.00 0.00 72.50 70.09 3a7h s THR 182 CO 0.00 0.38 1.11 -2.65 -0.69 0.00 0.00 174.62 172.77 3a7h n PRO 183 N 4.78 -0.20 0.08 4.92 -0.02 -1.26 0.10 135.00 143.40 3a7h n PRO 183 Ca -0.18 1.10 0.16 0.00 -2.02 0.00 0.00 63.50 62.56 3a7h n PRO 183 Cb 0.50 -1.63 0.66 0.00 -0.02 0.00 0.00 33.50 33.02 3a7h n PRO 183 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3a7h h PHE 184 N 0.00 0.03 -0.13 6.00 -1.00 -1.91 -2.29 116.94 117.64 3a7h h PHE 184 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3a7h h PHE 184 Cb 0.40 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3a7h h PHE 184 CO -0.65 0.01 0.00 0.91 -1.61 0.00 0.00 178.31 176.97 3a7h n TRP 185 N -4.43 0.14 -2.69 -0.55 8.01 0.11 -4.81 117.44 113.21 3a7h n TRP 185 Ca 0.06 -0.07 -0.40 0.00 -1.31 0.00 0.00 57.50 55.77 3a7h n TRP 185 Cb 0.43 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.68 3a7h n TRP 185 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3a7h s MET 186 N -1.80 4.79 0.59 -0.99 -1.94 -0.86 -4.00 119.30 115.09 3a7h s MET 186 Ca 0.30 1.55 -0.18 0.00 -1.71 0.00 0.00 55.69 55.65 3a7h s MET 186 Cb 0.20 -3.28 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 3a7h s MET 186 CO 0.30 0.41 1.13 0.00 -0.01 0.00 0.00 175.02 176.85 3a7h s ALA 187 N -0.97 2.60 0.16 3.03 0.00 -1.26 -4.91 121.76 120.41 3a7h s ALA 187 Ca 0.43 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 3a7h s ALA 187 Cb -0.27 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 19.58 3a7h s ALA 187 CO 0.33 -0.98 1.76 -1.00 0.00 0.00 0.00 175.76 175.87 3a7h h PRO 188 N 0.79 0.33 0.00 0.00 0.13 -1.89 -1.55 132.00 129.81 3a7h h PRO 188 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3a7h h PRO 188 Cb 1.26 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3a7h h PRO 188 CO 0.56 0.22 -0.02 1.05 -0.23 0.00 0.00 178.00 179.57 3a7h h GLU 189 N 0.34 0.00 -0.08 0.86 9.09 -1.92 -2.45 114.58 120.41 3a7h h GLU 189 Ca 0.18 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.49 3a7h h GLU 189 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3a7h h GLU 189 CO -0.17 0.02 -0.37 0.28 0.05 0.00 0.00 179.01 178.82 3a7h h VAL 190 N 0.00 1.41 -0.05 -1.06 2.07 -1.58 -0.19 116.25 116.84 3a7h h VAL 190 Ca -0.00 -1.74 0.03 0.00 0.82 0.00 0.00 66.70 65.81 3a7h h VAL 190 Cb 0.06 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3a7h h VAL 190 CO 0.00 0.51 -0.19 0.40 0.02 0.00 0.00 177.57 178.31 3a7h h ILE 191 N -0.07 0.53 -0.36 4.57 2.04 -1.21 -2.13 117.51 120.88 3a7h h ILE 191 Ca -0.02 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 3a7h h ILE 191 Cb 1.01 0.53 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 3a7h h ILE 191 CO 0.08 0.00 0.20 2.29 0.00 0.00 0.00 178.15 180.72 3a7h n LYS 192 N -5.33 1.72 -3.19 2.37 2.85 -0.97 -4.90 118.16 110.72 3a7h n LYS 192 Ca -0.04 -1.20 -0.17 0.00 -1.05 0.00 0.00 58.31 55.85 3a7h n LYS 192 Cb 0.24 -1.54 -0.04 0.00 -0.65 0.00 0.00 35.03 33.04 3a7h n LYS 192 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 3a7h n GLN 193 N -0.06 -0.93 -1.62 -1.58 7.27 -0.80 -4.93 117.38 114.72 3a7h n GLN 193 Ca 0.21 0.05 -0.30 0.00 0.07 0.00 0.00 57.00 57.03 3a7h n GLN 193 Cb 0.89 -1.90 0.08 0.00 2.41 0.00 0.00 30.24 31.73 3a7h n GLN 193 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3a7h s SER 194 N -3.01 4.68 0.22 1.69 0.01 -0.10 -4.91 113.70 112.28 3a7h s SER 194 Ca 0.16 1.26 -0.30 0.00 1.31 0.00 0.00 55.95 58.38 3a7h s SER 194 Cb -0.09 -2.01 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 3a7h s SER 194 CO 0.48 -1.85 1.32 0.00 0.41 0.00 0.00 173.24 173.60 3a7h s ALA 195 N -3.20 3.53 0.25 1.44 0.00 -1.26 -4.60 121.76 117.92 3a7h s ALA 195 Ca 0.60 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.72 3a7h s ALA 195 Cb -0.14 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3a7h s ALA 195 CO 0.54 -0.56 0.15 1.52 0.00 0.00 0.00 175.76 177.40 3a7h s TYR 196 N -0.10 1.41 0.00 0.00 -0.85 -0.18 -4.89 117.35 112.74 3a7h s TYR 196 Ca 0.56 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 3a7h s TYR 196 Cb -0.37 -0.71 0.00 0.00 0.38 0.00 0.00 41.96 41.26 3a7h s TYR 196 CO 0.41 -0.59 0.00 -0.40 -1.52 0.00 0.00 175.55 173.45 3a7h n ASP 197 N -0.62 0.00 0.08 -0.18 5.68 -1.26 -0.61 116.55 119.64 3a7h n ASP 197 Ca 0.02 0.00 0.21 0.00 -0.50 0.00 0.00 54.79 54.52 3a7h n ASP 197 Cb 0.65 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.37 3a7h n ASP 197 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3a7h h SER 198 N 0.00 0.00 -0.05 -1.12 4.64 -1.96 -0.91 113.55 114.16 3a7h h SER 198 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3a7h h SER 198 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a7h h SER 198 CO 0.00 0.00 0.06 0.11 -0.87 0.00 0.00 176.83 176.13 3a7h h LYS 199 N 0.00 0.00 -0.76 4.77 1.79 -1.95 -0.88 116.57 119.55 3a7h h LYS 199 Ca 0.20 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 3a7h h LYS 199 Cb 1.10 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.72 3a7h h LYS 199 CO -0.00 0.00 0.34 0.00 -1.08 0.00 0.00 179.45 178.71 3a7h h ALA 200 N 1.92 1.18 0.00 3.86 0.00 -1.54 -1.56 119.26 123.12 3a7h h ALA 200 Ca 0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3a7h h ALA 200 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3a7h h ALA 200 CO -0.00 0.62 -0.34 -0.44 0.00 0.00 0.00 179.25 179.08 3a7h h ASP 201 N 1.09 0.00 -0.36 0.00 3.32 -1.34 -1.71 116.42 117.42 3a7h h ASP 201 Ca 0.26 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3a7h h ASP 201 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3a7h h ASP 201 CO -0.03 0.34 -0.20 0.40 -1.72 0.00 0.00 179.24 178.03 3a7h h ILE 202 N 0.00 1.29 -0.38 0.35 1.08 -1.19 0.47 117.51 119.12 3a7h h ILE 202 Ca -0.00 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 3a7h h ILE 202 Cb 0.64 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 3a7h h ILE 202 CO 0.04 0.44 0.21 -0.25 -0.69 0.00 0.00 178.15 177.91 3a7h h TRP 203 N 0.56 0.52 -0.39 1.37 2.91 -1.20 -1.74 115.95 117.97 3a7h h TRP 203 Ca 0.08 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 3a7h h TRP 203 Cb 0.76 -0.17 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 3a7h h TRP 203 CO 0.06 0.40 0.18 0.77 -1.03 0.00 0.00 178.44 178.81 3a7h h SER 204 N 0.48 0.49 -0.55 2.65 0.02 -1.07 -0.33 113.55 115.24 3a7h h SER 204 Ca 0.13 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3a7h h SER 204 Cb 0.05 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3a7h h SER 204 CO -0.02 0.43 0.09 0.25 -1.14 0.00 0.00 176.83 176.45 3a7h h LEU 205 N 0.55 0.91 -0.91 5.07 5.85 -0.53 0.08 115.31 126.33 3a7h h LEU 205 Ca 0.14 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3a7h h LEU 205 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3a7h h LEU 205 CO -0.02 0.91 -0.27 1.23 -0.34 0.00 0.00 178.44 179.96 3a7h h GLY 206 N 1.02 0.53 1.23 3.75 0.00 -0.19 -0.34 103.07 109.07 3a7h h GLY 206 Ca 0.18 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3a7h h GLY 206 CO 0.01 0.40 -0.15 -2.22 0.00 0.00 0.00 176.54 174.58 3a7h h ILE 207 N 0.43 1.27 -0.16 2.60 1.08 -0.99 -2.04 117.51 119.69 3a7h h ILE 207 Ca 0.06 -1.27 -0.08 0.00 -0.39 0.00 0.00 64.86 63.18 3a7h h ILE 207 Cb 0.69 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.49 3a7h h ILE 207 CO 0.05 0.44 -0.25 0.74 -0.69 0.00 0.00 178.15 178.44 3a7h h THR 208 N 0.79 1.24 -0.26 -0.27 2.02 -0.54 -1.06 112.91 114.85 3a7h h THR 208 Ca 0.12 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 3a7h h THR 208 Cb 0.68 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3a7h h THR 208 CO 0.05 0.35 -0.03 0.00 0.37 0.00 0.00 175.52 176.26 3a7h h ALA 209 N 1.48 0.35 -0.69 6.16 0.00 -0.82 0.22 119.26 125.97 3a7h h ALA 209 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3a7h h ALA 209 Cb 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3a7h h ALA 209 CO 0.04 0.12 0.44 0.82 0.00 0.00 0.00 179.25 180.67 3a7h h ILE 210 N 0.23 1.10 -0.56 0.00 2.04 -0.92 -2.29 117.51 117.11 3a7h h ILE 210 Ca 0.07 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3a7h h ILE 210 Cb 0.48 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3a7h h ILE 210 CO 0.02 0.16 0.35 -0.08 0.00 0.00 0.00 178.15 178.59 3a7h h GLU 211 N 0.86 0.67 0.00 2.37 4.81 -0.75 0.33 114.58 122.88 3a7h h GLU 211 Ca 0.28 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3a7h h GLU 211 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3a7h h GLU 211 CO -0.10 0.45 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.31 3a7h h LEU 212 N 0.70 0.00 0.00 1.64 3.38 -0.29 0.64 115.31 121.38 3a7h h LEU 212 Ca 0.22 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.91 3a7h h LEU 212 Cb -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3a7h h LEU 212 CO -0.08 0.25 -1.57 0.00 0.09 0.00 0.00 178.44 177.12 3a7h h ALA 213 N 1.75 0.69 0.00 1.53 0.00 -0.67 -3.40 119.26 119.15 3a7h h ALA 213 Ca -0.00 -1.36 0.00 0.00 0.00 0.00 0.00 54.91 53.55 3a7h h ALA 213 Cb 0.59 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3a7h h ALA 213 CO 0.03 1.52 -0.50 0.54 0.00 0.00 0.00 179.25 180.84 3a7h n ARG 214 N -3.11 3.94 0.00 0.00 1.74 0.11 -4.84 116.66 114.49 3a7h n ARG 214 Ca -0.14 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 3a7h n ARG 214 Cb 1.03 -0.81 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 3a7h n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a7h n GLY 215 N 1.47 3.26 3.08 -0.13 0.00 0.22 -5.01 105.19 108.08 3a7h n GLY 215 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3a7h n GLY 215 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 216 N -0.52 0.55 0.77 1.61 0.41 -1.23 -4.89 118.70 115.40 3a7h s GLU 216 Ca 0.00 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 53.49 3a7h s GLU 216 Cb 0.00 0.20 0.05 0.00 -1.78 0.00 0.00 34.13 32.60 3a7h s GLU 216 CO 0.00 -0.11 1.15 -1.25 -0.49 0.00 0.00 175.26 174.55 3a7h s PRO 217 N -3.02 2.31 0.64 0.39 0.04 -1.26 -3.86 135.00 130.25 3a7h s PRO 217 Ca -0.01 0.25 -0.18 0.00 0.04 0.00 0.00 61.00 61.09 3a7h s PRO 217 Cb 0.01 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3a7h s PRO 217 CO -0.07 -1.38 1.25 -2.14 0.04 0.00 0.00 177.00 174.71 3a7h s PRO 218 N -5.49 2.61 -0.34 0.56 0.02 -1.26 -3.01 135.00 128.08 3a7h s PRO 218 Ca 0.60 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3a7h s PRO 218 Cb -0.11 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3a7h s PRO 218 CO 0.50 -1.52 0.00 0.72 -0.33 0.00 0.00 177.00 176.37 3a7h n HIS 219 N -1.95 0.00 0.31 6.54 8.25 -1.26 -4.90 115.22 122.22 3a7h n HIS 219 Ca 0.15 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.81 3a7h n HIS 219 Cb 0.49 -1.30 1.08 0.00 1.12 0.00 0.00 29.99 31.39 3a7h n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3a7h h SER 220 N 0.00 0.00 0.00 0.41 4.64 -1.93 -0.93 113.55 115.75 3a7h h SER 220 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3a7h h SER 220 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3a7h h SER 220 CO 0.10 0.00 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.36 3a7h n GLU 221 N -2.94 1.81 -3.34 4.77 -0.58 -1.26 -4.92 120.64 114.18 3a7h n GLU 221 Ca -0.02 -1.32 -0.27 0.00 -0.42 0.00 0.00 57.16 55.13 3a7h n GLU 221 Cb 0.08 -1.47 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 3a7h n GLU 221 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a7h s LEU 222 N -2.10 4.03 0.26 -4.62 1.43 -0.36 -5.05 118.68 112.28 3a7h s LEU 222 Ca 0.31 0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 53.73 3a7h s LEU 222 Cb 0.20 -3.46 -0.09 0.00 0.03 0.00 0.00 46.19 42.87 3a7h s LEU 222 CO 0.36 -0.24 1.26 -2.28 0.23 0.00 0.00 176.35 175.69 3a7h s HIS 223 N -2.18 3.26 0.28 0.29 5.65 -1.26 -4.91 115.29 116.42 3a7h s HIS 223 Ca 0.42 1.40 0.01 0.00 0.25 0.00 0.00 55.06 57.14 3a7h s HIS 223 Cb -0.10 -3.56 0.64 0.00 -1.18 0.00 0.00 32.58 28.38 3a7h s HIS 223 CO 0.33 -1.56 1.68 -1.00 -0.65 0.00 0.00 174.74 173.53 3a7h h PRO 224 N 4.31 0.30 -0.74 2.88 0.13 -1.96 -0.80 132.00 136.11 3a7h h PRO 224 Ca -0.47 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.74 3a7h h PRO 224 Cb 1.22 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3a7h h PRO 224 CO 0.71 0.20 0.49 0.52 -0.23 0.00 0.00 178.00 179.68 3a7h h MET 225 N 0.30 0.66 -0.36 0.86 2.86 -2.01 -0.95 114.93 116.30 3a7h h MET 225 Ca 0.52 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.99 3a7h h MET 225 Cb 0.97 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3a7h h MET 225 CO -0.56 0.43 -0.30 0.87 1.06 0.00 0.00 176.91 178.41 3a7h h LYS 226 N 0.68 0.77 -0.84 1.72 1.57 -1.53 -2.91 116.57 116.03 3a7h h LYS 226 Ca 0.34 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a7h h LYS 226 Cb 0.43 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 3a7h h LYS 226 CO -0.12 0.97 0.51 0.28 -0.57 0.00 0.00 179.45 180.52 3a7h h VAL 227 N 0.65 1.23 -0.99 0.50 2.07 -0.92 -1.87 116.25 116.92 3a7h h VAL 227 Ca 0.08 -0.49 0.24 0.00 0.82 0.00 0.00 66.70 67.35 3a7h h VAL 227 Cb 0.83 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 3a7h h VAL 227 CO 0.07 0.24 0.64 0.25 0.02 0.00 0.00 177.57 178.79 3a7h h LEU 228 N 1.15 0.44 0.00 2.57 5.85 -1.17 -1.65 115.31 122.50 3a7h h LEU 228 Ca 0.30 0.06 -0.24 0.00 0.84 0.00 0.00 57.88 58.84 3a7h h LEU 228 Cb -0.06 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3a7h h LEU 228 CO -0.06 0.13 -1.87 2.22 -0.34 0.00 0.00 178.44 178.52 3a7h n PHE 229 N -4.57 0.54 -0.05 1.25 1.16 -0.77 -4.35 117.46 110.66 3a7h n PHE 229 Ca 0.23 0.19 -0.11 0.00 -1.87 0.00 0.00 57.45 55.88 3a7h n PHE 229 Cb 0.80 -1.01 -0.05 0.00 -1.61 0.00 0.00 39.48 37.61 3a7h n PHE 229 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3a7h h LEU 230 N 0.00 0.25 -0.17 5.98 3.38 -0.61 -2.67 115.31 121.47 3a7h h LEU 230 Ca -0.30 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.52 3a7h h LEU 230 Cb 1.83 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.47 3a7h h LEU 230 CO 0.04 0.38 -0.13 0.40 0.09 0.00 0.00 178.44 179.22 3a7h h ILE 231 N 0.10 0.63 -0.46 1.22 2.04 -1.53 0.76 117.51 120.27 3a7h h ILE 231 Ca 0.06 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 3a7h h ILE 231 Cb 0.22 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3a7h h ILE 231 CO -0.00 0.00 -0.14 -0.65 0.00 0.00 0.00 178.15 177.35 3a7h h PRO 232 N -0.14 0.87 0.25 2.37 0.11 -1.76 -3.31 132.00 130.38 3a7h h PRO 232 Ca 0.10 -0.32 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3a7h h PRO 232 Cb 0.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3a7h h PRO 232 CO -0.25 0.95 -0.12 -0.22 -0.21 0.00 0.00 178.00 178.15 3a7h h LYS 233 N 0.77 -0.32 -7.44 1.05 3.64 -0.95 -3.47 116.57 109.85 3a7h h LYS 233 Ca 0.12 0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 59.03 3a7h h LYS 233 Cb 0.66 0.07 0.10 0.00 -0.41 0.00 0.00 32.23 32.66 3a7h h LYS 233 CO 0.05 0.02 0.37 -0.80 -2.27 0.00 0.00 179.45 176.81 3a7h s ASN 234 N -5.20 4.86 0.63 4.20 0.01 0.26 -5.03 114.94 114.67 3a7h s ASN 234 Ca -0.14 1.24 -0.18 0.00 -0.71 0.00 0.00 52.86 53.07 3a7h s ASN 234 Cb 0.02 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.66 3a7h s ASN 234 CO 0.55 -1.73 1.30 0.20 -1.51 0.00 0.00 177.10 175.91 3a7h s ASN 235 N -4.07 4.70 0.73 -1.22 0.01 -1.26 -4.90 114.94 108.92 3a7h s ASN 235 Ca 0.60 2.64 -0.16 0.00 -0.71 0.00 0.00 52.86 55.23 3a7h s ASN 235 Cb -0.13 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 38.95 3a7h s ASN 235 CO 0.53 -1.94 1.25 -2.16 -1.51 0.00 0.00 177.10 173.27 3a7h s PRO 236 N -3.32 2.06 0.68 -0.60 0.04 -1.26 -4.95 135.00 127.65 3a7h s PRO 236 Ca 0.81 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.62 3a7h s PRO 236 Cb -0.38 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3a7h s PRO 236 CO 0.40 -1.93 1.12 -1.25 0.04 0.00 0.00 177.00 175.39 3a7h s PRO 237 N -3.77 2.66 0.20 0.56 0.04 -1.26 -5.05 135.00 128.37 3a7h s PRO 237 Ca 0.78 1.44 0.06 0.00 0.04 0.00 0.00 61.00 63.32 3a7h s PRO 237 Cb -0.33 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3a7h s PRO 237 CO 0.45 -1.37 -0.10 0.95 0.04 0.00 0.00 177.00 176.98 3a7h s THR 238 N -2.31 1.45 -0.24 1.26 -4.23 -1.26 -4.87 115.64 105.44 3a7h s THR 238 Ca 0.68 -2.13 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 3a7h s THR 238 Cb -0.22 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 3a7h s THR 238 CO 0.43 -0.55 0.58 -0.22 -0.54 0.00 0.00 174.62 174.32 3a7h s LEU 239 N -3.29 4.09 0.24 4.79 2.96 -1.26 -5.05 118.68 121.15 3a7h s LEU 239 Ca 0.23 0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.90 3a7h s LEU 239 Cb 0.02 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 3a7h s LEU 239 CO 0.06 -0.30 -0.02 -1.83 -1.32 0.00 0.00 176.35 172.94 3a7h s GLU 240 N 2.20 2.27 0.00 1.98 -1.05 -1.26 -4.90 118.70 117.93 3a7h s GLU 240 Ca 0.25 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 3a7h s GLU 240 Cb -0.16 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.34 3a7h s GLU 240 CO 0.09 0.39 0.00 0.41 0.95 0.00 0.00 175.26 177.10 3a7h n GLY 241 N -0.60 -0.42 3.56 -3.83 0.00 -1.26 -4.87 105.19 97.76 3a7h n GLY 241 Ca -0.08 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.27 3a7h n GLY 241 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a7h s ASN 242 N -2.52 6.73 0.05 1.61 2.47 -1.26 -4.91 114.94 117.10 3a7h s ASN 242 Ca 0.00 -2.12 0.03 0.00 0.42 0.00 0.00 52.86 51.19 3a7h s ASN 242 Cb 0.00 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 3a7h s ASN 242 CO 0.00 -1.26 -0.09 -0.31 -3.72 0.00 0.00 177.10 171.72 3a7h s TYR 243 N 4.28 0.79 0.97 0.43 1.51 -1.26 -5.14 117.35 118.92 3a7h s TYR 243 Ca 0.50 -0.46 -0.12 0.00 -1.01 0.00 0.00 57.07 55.98 3a7h s TYR 243 Cb 0.02 -0.46 0.13 0.00 -0.11 0.00 0.00 41.96 41.53 3a7h s TYR 243 CO 0.01 -0.05 0.85 -1.13 -1.11 0.00 0.00 175.55 174.12 3a7h n SER 244 N 1.52 -0.76 -0.15 2.29 3.41 -1.26 -4.83 113.62 113.84 3a7h n SER 244 Ca -0.22 0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.58 3a7h n SER 244 Cb 0.55 -1.35 -0.01 0.00 -0.26 0.00 0.00 64.21 63.14 3a7h n SER 244 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a7h h LYS 245 N -1.90 0.92 -0.71 4.33 3.64 -1.99 -2.77 116.57 118.09 3a7h h LYS 245 Ca -0.46 -0.38 0.07 0.00 -1.27 0.00 0.00 60.65 58.61 3a7h h LYS 245 Cb 1.28 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 3a7h h LYS 245 CO 0.40 1.04 0.47 -1.35 -2.27 0.00 0.00 179.45 177.73 3a7h h PRO 246 N 0.76 0.67 -0.17 1.90 0.11 -1.97 0.90 132.00 134.20 3a7h h PRO 246 Ca 0.11 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3a7h h PRO 246 Cb 0.74 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3a7h h PRO 246 CO 0.06 0.45 -0.03 1.25 -0.21 0.00 0.00 178.00 179.51 3a7h h LEU 247 N 0.69 0.33 -1.22 2.35 5.85 -1.88 -0.16 115.31 121.28 3a7h h LEU 247 Ca 0.31 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3a7h h LEU 247 Cb 0.32 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3a7h h LEU 247 CO -0.10 0.61 0.54 0.11 -0.34 0.00 0.00 178.44 179.26 3a7h h LYS 248 N 0.05 0.96 -0.08 1.25 1.57 -1.10 -1.78 116.57 117.43 3a7h h LYS 248 Ca 0.04 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3a7h h LYS 248 Cb 0.46 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3a7h h LYS 248 CO 0.02 0.64 -0.61 0.93 -0.57 0.00 0.00 179.45 179.86 3a7h h GLU 249 N 0.99 0.29 -0.47 3.15 5.08 -0.67 -0.32 114.58 122.63 3a7h h GLU 249 Ca 0.34 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3a7h h GLU 249 Cb 0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3a7h h GLU 249 CO -0.11 0.81 0.17 0.35 -1.00 0.00 0.00 179.01 179.24 3a7h h PHE 250 N 0.22 0.74 -0.21 4.33 3.04 -0.34 0.17 116.94 124.88 3a7h h PHE 250 Ca -0.01 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 3a7h h PHE 250 Cb 1.12 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 3a7h h PHE 250 CO 0.03 0.64 0.10 0.28 -2.02 0.00 0.00 178.31 177.33 3a7h h VAL 251 N 0.63 1.14 -0.52 1.41 2.07 -1.13 -2.54 116.25 117.31 3a7h h VAL 251 Ca 0.16 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.34 3a7h h VAL 251 Cb 0.22 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 3a7h h VAL 251 CO -0.01 0.14 0.18 -0.08 0.02 0.00 0.00 177.57 177.82 3a7h h GLU 252 N 0.20 0.34 -0.69 1.57 4.81 -0.62 0.01 114.58 120.21 3a7h h GLU 252 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3a7h h GLU 252 Cb 0.13 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.38 3a7h h GLU 252 CO -0.01 0.22 0.40 0.00 -0.73 0.00 0.00 179.01 178.90 3a7h h ALA 253 N 1.36 0.91 -0.27 2.92 0.00 -0.28 -2.66 119.26 121.24 3a7h h ALA 253 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3a7h h ALA 253 Cb 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a7h h ALA 253 CO -0.27 0.11 -0.25 0.00 0.00 0.00 0.00 179.25 178.84 3a7h n LEU 255 N -4.31 6.89 -4.65 0.00 4.77 -0.07 -4.08 117.00 115.55 3a7h n LEU 255 Ca -0.04 -4.76 -0.35 0.00 -0.03 0.00 0.00 56.01 50.83 3a7h n LEU 255 Cb 0.45 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 3a7h n LEU 255 CO 0.44 1.54 -0.30 0.21 -1.33 0.00 0.00 177.39 177.95 3a7h s ASN 256 N 0.44 5.29 0.54 -1.43 3.84 -1.26 -4.72 114.94 117.65 3a7h s ASN 256 Ca 0.41 0.09 0.20 0.00 0.21 0.00 0.00 52.86 53.78 3a7h s ASN 256 Cb 0.11 -1.67 1.43 0.00 -0.55 0.00 0.00 41.25 40.57 3a7h s ASN 256 CO -0.00 0.30 2.18 0.11 -2.79 0.00 0.00 177.10 176.89 3a7h h LYS 257 N 5.78 0.00 -5.80 0.43 1.79 -1.95 -3.40 116.57 113.42 3a7h h LYS 257 Ca -0.44 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.42 3a7h h LYS 257 Cb 1.19 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.73 3a7h h LYS 257 CO 0.60 0.00 0.39 -2.00 -1.08 0.00 0.00 179.45 177.36 3a7h s GLU 258 N -4.93 3.76 0.41 3.15 2.56 -1.26 -4.77 118.70 117.62 3a7h s GLU 258 Ca -0.05 0.33 0.11 0.00 0.00 0.00 0.00 54.97 55.36 3a7h s GLU 258 Cb 0.16 -3.81 0.92 0.00 2.00 0.00 0.00 34.13 33.41 3a7h s GLU 258 CO 0.63 -0.85 1.98 -1.00 -0.56 0.00 0.00 175.26 175.46 3a7h h PRO 259 N 8.47 0.52 0.00 4.30 0.13 -1.95 -1.39 132.00 142.07 3a7h h PRO 259 Ca -0.25 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3a7h h PRO 259 Cb 1.09 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3a7h h PRO 259 CO 0.91 0.34 0.00 0.77 -0.23 0.00 0.00 178.00 179.80 3a7h h SER 260 N 0.53 0.00 0.27 1.44 0.02 -1.94 -2.23 113.55 111.64 3a7h h SER 260 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3a7h h SER 260 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3a7h h SER 260 CO -0.08 0.00 -0.06 0.49 -1.14 0.00 0.00 176.83 176.03 3a7h n PHE 261 N -2.98 0.00 -3.16 3.45 3.72 -0.52 -4.85 117.46 113.11 3a7h n PHE 261 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 3a7h n PHE 261 Cb 0.27 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3a7h n PHE 261 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3a7h s ARG 262 N -2.34 4.34 0.77 -1.08 0.52 -0.84 -4.98 118.95 115.35 3a7h s ARG 262 Ca 0.34 0.87 -0.11 0.00 -0.52 0.00 0.00 55.73 56.31 3a7h s ARG 262 Cb 0.21 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.45 3a7h s ARG 262 CO 0.44 0.54 1.08 -1.25 0.02 0.00 0.00 175.30 176.13 3a7h s PRO 263 N -0.86 2.31 0.85 3.54 0.04 -1.26 -5.04 135.00 134.58 3a7h s PRO 263 Ca 0.32 1.00 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 3a7h s PRO 263 Cb -0.20 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.53 3a7h s PRO 263 CO 0.21 -1.56 1.13 0.95 0.04 0.00 0.00 177.00 177.77 3a7h s THR 264 N -2.98 2.37 0.17 1.26 -4.23 -1.26 -4.89 115.64 106.08 3a7h s THR 264 Ca 0.60 0.12 -0.11 0.00 -1.18 0.00 0.00 61.69 61.13 3a7h s THR 264 Cb -0.16 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.83 3a7h s THR 264 CO 0.56 -0.16 1.68 0.00 -0.54 0.00 0.00 174.62 176.15 3a7h h ALA 265 N -1.28 0.79 -0.62 3.99 0.00 -1.92 -2.12 119.26 118.10 3a7h h ALA 265 Ca -0.49 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.30 3a7h h ALA 265 Cb 1.31 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3a7h h ALA 265 CO 0.62 0.52 0.13 -0.22 0.00 0.00 0.00 179.25 180.30 3a7h h LYS 266 N 0.88 0.25 -0.29 0.00 3.64 -1.93 -1.32 116.57 117.81 3a7h h LYS 266 Ca 0.19 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3a7h h LYS 266 Cb 0.38 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3a7h h LYS 266 CO 0.01 0.17 -0.41 0.93 -2.27 0.00 0.00 179.45 177.87 3a7h h GLU 267 N 0.26 0.70 0.00 1.90 4.39 -1.87 -2.89 114.58 117.07 3a7h h GLU 267 Ca 0.33 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3a7h h GLU 267 Cb 0.49 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3a7h h GLU 267 CO -0.42 0.99 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.20 3a7h h LEU 268 N 0.57 0.00 -2.60 1.33 3.38 -0.78 -1.15 115.31 116.06 3a7h h LEU 268 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a7h h LEU 268 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3a7h h LEU 268 CO 0.09 0.14 -0.01 -0.07 0.09 0.00 0.00 178.44 178.68 3a7h h LEU 269 N 0.00 0.00 -2.20 1.67 3.38 -1.03 -0.63 115.31 116.50 3a7h h LEU 269 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a7h h LEU 269 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a7h h LEU 269 CO 0.02 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.85 3a7h n LYS 270 N -3.22 2.27 -1.85 1.13 5.02 -0.44 -4.61 118.16 116.46 3a7h n LYS 270 Ca -0.02 -2.08 -0.41 0.00 -2.02 0.00 0.00 58.31 53.78 3a7h n LYS 270 Cb 0.12 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3a7h n LYS 270 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3a7h s HIS 271 N -1.47 2.63 0.55 2.13 2.46 -0.25 -4.78 115.29 116.56 3a7h s HIS 271 Ca 0.32 1.22 0.22 0.00 0.47 0.00 0.00 55.06 57.30 3a7h s HIS 271 Cb 0.20 -3.95 1.46 0.00 -0.13 0.00 0.00 32.58 30.15 3a7h s HIS 271 CO 0.28 -2.82 2.14 1.57 -2.47 0.00 0.00 174.74 173.44 3a7h h LYS 272 N 2.94 0.00 -0.88 2.88 2.10 -1.93 -1.64 116.57 120.04 3a7h h LYS 272 Ca -0.51 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 3a7h h LYS 272 Cb 1.24 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.53 3a7h h LYS 272 CO 0.64 0.00 0.48 0.35 -2.00 0.00 0.00 179.45 178.92 3a7h h PHE 273 N 0.00 1.21 -0.10 0.07 3.57 -1.89 -1.55 116.94 118.24 3a7h h PHE 273 Ca 0.06 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.43 3a7h h PHE 273 Cb 0.25 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3a7h h PHE 273 CO 0.00 0.84 -0.32 0.82 -2.23 0.00 0.00 178.31 177.42 3a7h h ILE 274 N 1.23 1.39 -0.49 1.41 1.08 -1.62 -2.75 117.51 117.77 3a7h h ILE 274 Ca 0.31 -1.66 -0.05 0.00 -0.39 0.00 0.00 64.86 63.08 3a7h h ILE 274 Cb 0.03 2.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 3a7h h ILE 274 CO -0.05 0.48 0.12 -0.07 -0.69 0.00 0.00 178.15 177.94 3a7h h LEU 275 N -0.05 0.68 0.00 1.44 3.38 -1.35 -0.55 115.31 118.86 3a7h h LEU 275 Ca -0.01 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 3a7h h LEU 275 Cb 0.94 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3a7h h LEU 275 CO 0.07 0.68 -0.79 0.03 0.09 0.00 0.00 178.44 178.52 3a7h h ARG 276 N 0.71 0.00 0.00 1.13 3.08 -1.36 -3.41 114.38 114.54 3a7h h ARG 276 Ca 0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3a7h h ARG 276 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3a7h h ARG 276 CO -0.00 0.46 -1.07 0.09 -1.07 0.00 0.00 179.97 178.38 3a7h n ASN 277 N -3.13 4.72 -4.77 7.04 4.13 -1.04 -5.05 115.26 117.17 3a7h n ASN 277 Ca -0.01 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.84 3a7h n ASN 277 Cb 0.77 0.79 -0.02 0.00 -1.54 0.00 0.00 39.78 39.78 3a7h n ASN 277 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a7h s ALA 278 N -2.06 3.41 0.12 5.41 0.00 -0.22 -4.44 121.76 123.98 3a7h s ALA 278 Ca -0.01 1.21 0.02 0.00 0.00 0.00 0.00 51.96 53.18 3a7h s ALA 278 Cb 0.01 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 3a7h s ALA 278 CO 0.05 -0.64 0.06 1.63 0.00 0.00 0.00 175.76 176.85 3a7h n LYS 279 N 0.62 0.63 -1.70 0.00 4.01 -1.26 -4.93 118.16 115.53 3a7h n LYS 279 Ca 0.01 -1.07 -0.43 0.00 -0.51 0.00 0.00 58.31 56.30 3a7h n LYS 279 Cb 0.43 0.66 -0.02 0.00 -0.51 0.00 0.00 35.03 35.59 3a7h n LYS 279 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 3a7h n LYS 280 N -0.26 2.30 0.28 1.97 4.81 -1.26 -4.84 118.16 121.16 3a7h n LYS 280 Ca -0.01 0.82 0.13 0.00 -0.87 0.00 0.00 58.31 58.38 3a7h n LYS 280 Cb 0.19 -2.52 0.81 0.00 0.02 0.00 0.00 35.03 33.53 3a7h n LYS 280 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3a7h h THR 281 N 3.13 0.68 0.00 3.15 1.35 -1.94 -2.45 112.91 116.83 3a7h h THR 281 Ca -0.46 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3a7h h THR 281 Cb 1.26 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3a7h h THR 281 CO 0.76 0.02 -0.07 0.77 -0.25 0.00 0.00 175.52 176.75 3a7h h SER 282 N 0.00 0.00 0.39 5.36 4.64 -1.84 0.69 113.55 122.78 3a7h h SER 282 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a7h h SER 282 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3a7h h SER 282 CO 0.00 0.07 0.00 -1.22 -0.87 0.00 0.00 176.83 174.81 3a7h n TYR 283 N -3.63 0.12 0.85 4.77 0.53 -0.92 -1.42 117.16 117.45 3a7h n TYR 283 Ca -0.02 0.05 0.11 0.00 -1.02 0.00 0.00 57.90 57.02 3a7h n TYR 283 Cb 0.18 -0.58 0.51 0.00 -1.03 0.00 0.00 39.34 38.42 3a7h n TYR 283 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3a7h n LEU 284 N -1.61 0.00 0.27 7.72 4.77 0.24 -2.96 117.00 125.43 3a7h n LEU 284 Ca 0.02 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.60 3a7h n LEU 284 Cb 0.13 -0.46 0.78 0.00 -2.33 0.00 0.00 43.42 41.54 3a7h n LEU 284 CO 0.11 -0.10 1.01 0.71 -1.33 0.00 0.00 177.39 177.79 3a7h h THR 285 N 0.00 0.52 -0.17 -5.08 1.35 -1.41 -0.68 112.91 107.45 3a7h h THR 285 Ca 0.00 -0.42 -0.16 0.00 -0.55 0.00 0.00 66.41 65.28 3a7h h THR 285 Cb 0.36 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3a7h h THR 285 CO 0.00 0.09 -0.56 -0.08 -0.25 0.00 0.00 175.52 174.72 3a7h h GLU 286 N 0.00 0.51 -0.41 4.72 4.57 -1.76 0.47 114.58 122.68 3a7h h GLU 286 Ca -0.00 -0.32 -0.15 0.00 -1.18 0.00 0.00 59.36 57.71 3a7h h GLU 286 Cb 0.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3a7h h GLU 286 CO 0.01 0.93 -0.32 1.25 -1.18 0.00 0.00 179.01 179.70 3a7h h LEU 287 N 0.39 0.97 -0.34 1.64 5.85 -1.42 0.79 115.31 123.19 3a7h h LEU 287 Ca 0.01 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 3a7h h LEU 287 Cb 1.09 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3a7h h LEU 287 CO 0.10 1.20 -0.01 0.40 -0.34 0.00 0.00 178.44 179.79 3a7h h ILE 288 N 0.77 1.26 -0.62 4.05 2.04 -0.92 -1.66 117.51 122.44 3a7h h ILE 288 Ca 0.08 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3a7h h ILE 288 Cb 0.90 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.19 3a7h h ILE 288 CO 0.08 0.32 0.20 0.44 0.00 0.00 0.00 178.15 179.20 3a7h h ASP 289 N 0.40 0.86 -0.52 1.72 3.32 0.04 -0.29 116.42 121.95 3a7h h ASP 289 Ca 0.09 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3a7h h ASP 289 Cb 0.47 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3a7h h ASP 289 CO 0.02 0.81 0.32 -0.09 -1.72 0.00 0.00 179.24 178.58 3a7h h ARG 290 N 0.90 0.63 -0.47 3.56 2.43 -0.52 0.20 114.38 121.11 3a7h h ARG 290 Ca 0.20 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.24 3a7h h ARG 290 Cb 0.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3a7h h ARG 290 CO -0.01 0.42 -0.11 -0.92 -1.51 0.00 0.00 179.97 177.84 3a7h h TYR 291 N 0.65 0.96 -0.54 2.20 3.20 -0.79 0.25 116.97 122.90 3a7h h TYR 291 Ca 0.20 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3a7h h TYR 291 Cb -0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3a7h h TYR 291 CO -0.06 0.93 0.16 -0.22 -1.64 0.00 0.00 178.16 177.33 3a7h h LYS 292 N 0.78 0.84 0.17 1.82 3.11 -0.47 0.13 116.57 122.94 3a7h h LYS 292 Ca 0.13 -0.18 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 3a7h h LYS 292 Cb 0.62 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.74 3a7h h LYS 292 CO 0.04 0.77 -0.08 0.00 -2.81 0.00 0.00 179.45 177.38 3a7h h ARG 293 N 0.74 -0.22 -0.15 1.90 3.08 -0.72 -2.69 114.38 116.32 3a7h h ARG 293 Ca 0.17 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3a7h h ARG 293 Cb 0.29 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3a7h h ARG 293 CO -0.00 0.11 -0.42 2.35 -1.07 0.00 0.00 179.97 180.94 3a7h h TRP 294 N -0.56 -1.20 -0.41 3.04 7.01 -0.78 0.29 115.95 123.33 3a7h h TRP 294 Ca -0.02 0.05 0.12 0.00 2.11 0.00 0.00 58.89 61.15 3a7h h TRP 294 Cb 0.42 0.55 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 3a7h h TRP 294 CO 0.03 -0.47 0.55 -0.22 -2.79 0.00 0.00 178.44 175.54 3a7h h LYS 295 N -0.48 0.00 -1.22 2.65 1.63 -0.75 -0.83 116.57 117.58 3a7h h LYS 295 Ca 0.08 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.84 3a7h h LYS 295 Cb 0.62 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 3a7h h LYS 295 CO -0.41 0.00 0.05 0.00 -3.45 0.00 0.00 179.45 175.64 3a7h n ALA 296 N -2.22 3.08 -2.67 5.00 0.00 0.10 -3.58 120.51 120.22 3a7h n ALA 296 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.25 3a7h n ALA 296 Cb 0.72 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 19.24 3a7h n ALA 296 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a7h n GLU 297 N 0.59 1.20 0.00 0.00 1.02 -0.32 -5.05 120.64 118.09 3a7h n GLU 297 Ca 0.05 -1.36 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 3a7h n GLU 297 Cb 0.57 0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.22 3a7h n GLU 297 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35