#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vga s LYS 4 N 0.00 4.26 0.74 5.56 2.20 -1.26 -5.02 119.74 126.22 1vga s LYS 4 Ca 0.00 1.11 -0.15 0.00 -0.36 0.00 0.00 55.97 56.58 1vga s LYS 4 Cb 0.00 -3.61 0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1vga s LYS 4 CO 0.00 -0.47 1.20 0.71 -0.36 0.00 0.00 175.35 176.43 1vga s TYR 5 N 2.63 2.05 -0.12 4.03 2.02 -1.26 -4.82 117.35 121.88 1vga s TYR 5 Ca 0.39 1.61 -0.03 0.00 -0.37 0.00 0.00 57.07 58.67 1vga s TYR 5 Cb -0.16 -3.44 0.05 0.00 -0.40 0.00 0.00 41.96 38.01 1vga s TYR 5 CO 0.10 -2.57 0.07 0.12 -1.57 0.00 0.00 175.55 171.69 1vga s PHE 6 N -2.07 0.28 -0.22 2.71 2.19 -0.54 -1.29 117.98 119.05 1vga s PHE 6 Ca 0.73 -0.16 -0.01 0.00 0.33 0.00 0.00 56.93 57.81 1vga s PHE 6 Cb -0.28 -0.66 0.01 0.00 -1.31 0.00 0.00 43.02 40.78 1vga s PHE 6 CO 0.46 -0.40 -0.10 0.08 1.83 0.00 0.00 175.22 177.09 1vga s VAL 7 N 2.11 2.76 0.01 3.12 1.01 0.08 -1.77 120.40 127.71 1vga s VAL 7 Ca 0.03 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1vga s VAL 7 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1vga s VAL 7 CO -0.07 0.39 -0.23 0.00 0.00 0.00 0.00 175.10 175.19 1vga s ALA 8 N 1.36 2.33 -0.30 5.51 0.00 0.11 -1.33 121.76 129.45 1vga s ALA 8 Ca 0.04 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.76 1vga s ALA 8 Cb -0.15 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.38 1vga s ALA 8 CO -0.07 0.54 0.08 0.00 0.00 0.00 0.00 175.76 176.31 1vga s ALA 9 N -0.75 3.06 -0.55 0.00 0.00 0.91 -0.44 121.76 124.00 1vga s ALA 9 Ca 0.12 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 1vga s ALA 9 Cb -0.10 -2.16 0.14 0.00 0.00 0.00 0.00 23.12 21.00 1vga s ALA 9 CO 0.01 -0.97 0.49 1.21 0.00 0.00 0.00 175.76 176.50 1vga s ASN 10 N 1.49 6.11 0.00 0.00 2.47 0.05 -0.40 114.94 124.67 1vga s ASN 10 Ca 0.02 -1.93 0.18 0.00 0.42 0.00 0.00 52.86 51.56 1vga s ASN 10 Cb -0.17 -2.16 0.83 0.00 -1.45 0.00 0.00 41.25 38.30 1vga s ASN 10 CO 0.02 -0.78 1.58 0.79 -3.72 0.00 0.00 177.10 174.99 1vga n TRP 11 N 5.01 0.00 -2.57 0.43 8.01 -1.08 -4.44 117.44 122.79 1vga n TRP 11 Ca -0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1vga n TRP 11 Cb 0.41 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 29.28 1vga n TRP 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1vga n LYS 12 N -1.43 0.00 -2.34 -0.99 5.02 -1.26 -2.75 118.16 114.41 1vga n LYS 12 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 1vga n LYS 12 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 1vga n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga s ASN 14 N 0.21 0.13 0.00 0.00 -0.87 -1.11 -5.14 114.94 108.16 1vga s ASN 14 Ca 0.43 -0.28 0.00 0.00 -1.57 0.00 0.00 52.86 51.44 1vga s ASN 14 Cb 0.12 0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.43 1vga s ASN 14 CO -0.02 -0.19 0.00 0.61 -2.57 0.00 0.00 177.10 174.93 1vga n GLY 15 N 2.14 3.59 3.25 0.66 0.00 -1.26 -4.79 105.19 108.78 1vga n GLY 15 Ca -0.19 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 1vga n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vga s THR 16 N -2.44 0.54 0.19 2.61 -4.23 -1.26 -5.01 115.64 106.04 1vga s THR 16 Ca 0.00 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 1vga s THR 16 Cb 0.00 -2.27 0.10 0.00 1.34 0.00 0.00 72.50 71.68 1vga s THR 16 CO 0.00 -0.32 1.76 -0.07 -0.54 0.00 0.00 174.62 175.44 1vga h LEU 17 N 2.63 0.25 -0.34 4.79 3.38 -2.00 -0.58 115.31 123.44 1vga h LEU 17 Ca -0.37 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1vga h LEU 17 Cb 1.22 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1vga h LEU 17 CO 0.61 0.17 -0.19 -0.33 0.09 0.00 0.00 178.44 178.79 1vga h GLU 18 N 0.42 0.74 -0.56 1.13 4.39 -1.99 -2.02 114.58 116.69 1vga h GLU 18 Ca 0.25 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1vga h GLU 18 Cb 0.25 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1vga h GLU 18 CO -0.23 0.95 0.15 0.66 -1.16 0.00 0.00 179.01 179.37 1vga h SER 19 N 0.52 0.79 -0.37 1.42 4.64 -1.88 -2.06 113.55 116.61 1vga h SER 19 Ca 0.07 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 1vga h SER 19 Cb 0.74 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1vga h SER 19 CO 0.06 0.76 -0.07 0.40 -0.87 0.00 0.00 176.83 177.11 1vga h ILE 20 N 0.82 1.27 -0.54 0.95 1.08 -1.03 -0.84 117.51 119.22 1vga h ILE 20 Ca 0.18 -1.12 0.06 0.00 -0.39 0.00 0.00 64.86 63.59 1vga h ILE 20 Cb 0.28 1.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.23 1vga h ILE 20 CO -0.00 0.37 0.24 0.11 -0.69 0.00 0.00 178.15 178.18 1vga h LYS 21 N 0.49 0.45 -0.18 2.37 1.57 -1.01 0.19 116.57 120.45 1vga h LYS 21 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1vga h LYS 21 Cb 0.57 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1vga h LYS 21 CO 0.03 0.30 0.04 0.77 -0.57 0.00 0.00 179.45 180.02 1vga h SER 22 N 0.47 0.28 -0.31 0.86 0.02 -1.25 -2.33 113.55 111.28 1vga h SER 22 Ca 0.25 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1vga h SER 22 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1vga h SER 22 CO -0.20 0.45 0.05 0.25 -1.14 0.00 0.00 176.83 176.24 1vga h LEU 23 N 0.10 0.48 -1.36 5.07 5.85 -0.81 -2.65 115.31 121.98 1vga h LEU 23 Ca 0.06 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1vga h LEU 23 Cb 0.28 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1vga h LEU 23 CO 0.00 0.61 0.03 0.71 -0.34 0.00 0.00 178.44 179.45 1vga h THR 24 N 0.33 1.17 -0.76 1.05 1.35 -0.65 -1.01 112.91 114.40 1vga h THR 24 Ca 0.09 -0.64 -0.05 0.00 -0.55 0.00 0.00 66.41 65.26 1vga h THR 24 Cb 0.33 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 67.63 1vga h THR 24 CO 0.00 0.22 0.27 0.78 -0.25 0.00 0.00 175.52 176.55 1vga h ASN 25 N 0.44 1.07 -0.52 5.36 2.35 -1.23 0.15 115.58 123.20 1vga h ASN 25 Ca 0.10 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1vga h ASN 25 Cb 0.25 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1vga h ASN 25 CO 0.00 0.97 0.03 0.28 -1.65 0.00 0.00 177.43 177.06 1vga h SER 26 N 1.11 0.87 -0.51 5.81 0.02 -1.00 -2.81 113.55 117.05 1vga h SER 26 Ca 0.25 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1vga h SER 26 Cb 0.26 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1vga h SER 26 CO -0.01 0.95 0.10 -0.26 -1.14 0.00 0.00 176.83 176.47 1vga h PHE 27 N 0.77 0.87 0.00 3.45 -1.00 -0.75 -2.61 116.94 117.67 1vga h PHE 27 Ca 0.15 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1vga h PHE 27 Cb 0.48 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1vga h PHE 27 CO 0.04 0.78 0.00 -0.91 -1.61 0.00 0.00 178.31 176.61 1vga h ASN 28 N 0.71 0.00 0.76 2.17 2.35 -0.54 -1.69 115.58 119.34 1vga h ASN 28 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1vga h ASN 28 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 1vga h ASN 28 CO 0.01 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.38 1vga n ASN 29 N -2.99 0.28 -4.72 5.81 5.03 -0.98 -4.67 115.26 113.01 1vga n ASN 29 Ca -0.02 0.56 -0.36 0.00 0.87 0.00 0.00 54.58 55.63 1vga n ASN 29 Cb 0.11 -0.62 -0.08 0.00 -1.02 0.00 0.00 39.78 38.17 1vga n ASN 29 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1vga s LEU 30 N -3.60 4.21 -0.12 3.41 2.96 -0.64 -5.08 118.68 119.83 1vga s LEU 30 Ca 0.08 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 1vga s LEU 30 Cb 0.11 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1vga s LEU 30 CO 0.38 0.15 0.13 -0.62 -1.32 0.00 0.00 176.35 175.07 1vga s ASP 31 N 0.45 6.27 0.16 3.68 2.15 -1.26 -5.06 116.67 123.06 1vga s ASP 31 Ca 0.10 0.43 -0.22 0.00 0.43 0.00 0.00 52.55 53.30 1vga s ASP 31 Cb -0.12 -2.01 0.06 0.00 -0.30 0.00 0.00 42.92 40.55 1vga s ASP 31 CO 0.00 0.40 0.57 0.72 -0.17 0.00 0.00 175.17 176.69 1vga s PHE 32 N -0.97 -0.48 -0.43 -5.34 -0.71 -1.26 -5.11 117.98 103.67 1vga s PHE 32 Ca 0.15 0.24 -0.19 0.00 -1.04 0.00 0.00 56.93 56.09 1vga s PHE 32 Cb -0.12 0.52 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1vga s PHE 32 CO 0.04 -0.84 0.55 0.34 -1.34 0.00 0.00 175.22 173.97 1vga s ASP 33 N -2.76 6.27 0.42 1.98 -1.08 -1.26 -4.94 116.67 115.29 1vga s ASP 33 Ca 0.02 -0.50 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 1vga s ASP 33 Cb -0.01 -2.28 1.45 0.00 -1.46 0.00 0.00 42.92 40.62 1vga s ASP 33 CO -0.12 -0.70 1.88 1.55 0.52 0.00 0.00 175.17 178.30 1vga h PRO 34 N 8.82 0.00 0.00 4.34 0.13 -1.86 -0.04 132.00 143.39 1vga h PRO 34 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1vga h PRO 34 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1vga h PRO 34 CO 0.85 0.00 -0.39 -1.13 -0.23 0.00 0.00 178.00 177.10 1vga n SER 35 N -2.54 0.75 -0.04 1.44 3.41 -1.26 -3.87 113.62 111.50 1vga n SER 35 Ca -0.01 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1vga n SER 35 Cb 0.12 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.75 1vga n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vga n LYS 36 N -2.17 1.01 -3.79 4.33 5.02 -0.18 -5.01 118.16 117.37 1vga n LYS 36 Ca 0.04 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1vga n LYS 36 Cb 0.44 -1.39 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 1vga n LYS 36 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1vga s LEU 37 N -4.61 1.06 -0.18 -0.35 2.96 -0.31 -4.36 118.68 112.90 1vga s LEU 37 Ca -0.07 0.41 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 1vga s LEU 37 Cb 0.07 0.67 -0.05 0.00 0.50 0.00 0.00 46.19 47.39 1vga s LEU 37 CO 0.65 -0.09 0.28 -1.81 -1.32 0.00 0.00 176.35 174.05 1vga s ASP 38 N 0.37 6.39 -0.14 3.68 1.01 -0.41 -4.18 116.67 123.38 1vga s ASP 38 Ca -0.02 0.45 -0.01 0.00 0.71 0.00 0.00 52.55 53.68 1vga s ASP 38 Cb -0.04 -2.17 0.04 0.00 1.01 0.00 0.00 42.92 41.76 1vga s ASP 38 CO -0.02 0.08 -0.05 -0.69 0.21 0.00 0.00 175.17 174.71 1vga s VAL 39 N 0.60 0.95 -0.04 -1.27 1.01 -1.26 -0.74 120.40 119.65 1vga s VAL 39 Ca 0.15 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1vga s VAL 39 Cb -0.13 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1vga s VAL 39 CO 0.04 0.18 -0.24 -0.69 0.00 0.00 0.00 175.10 174.39 1vga s VAL 40 N 1.71 1.98 -0.14 2.92 1.01 -0.44 -0.09 120.40 127.35 1vga s VAL 40 Ca 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 1vga s VAL 40 Cb -0.14 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 1vga s VAL 40 CO -0.08 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1vga s VAL 41 N -0.32 3.11 -0.56 2.92 1.01 -0.12 -0.06 120.40 126.38 1vga s VAL 41 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1vga s VAL 41 Cb -0.12 -2.32 0.15 0.00 0.00 0.00 0.00 36.38 34.09 1vga s VAL 41 CO 0.02 0.51 0.36 -0.36 0.00 0.00 0.00 175.10 175.63 1vga s PHE 42 N 0.46 3.43 0.69 5.22 0.08 0.47 -2.10 117.98 126.23 1vga s PHE 42 Ca -0.09 -2.70 -0.05 0.00 0.12 0.00 0.00 56.93 54.21 1vga s PHE 42 Cb -0.16 -3.16 0.08 0.00 -0.57 0.00 0.00 43.02 39.21 1vga s PHE 42 CO 0.04 -0.86 0.99 -1.25 -0.10 0.00 0.00 175.22 174.04 1vga s PRO 43 N 0.20 2.08 0.56 0.24 0.04 -1.25 -2.64 135.00 134.22 1vga s PRO 43 Ca 0.15 -0.50 -0.20 0.00 0.04 0.00 0.00 61.00 60.49 1vga s PRO 43 Cb -0.21 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 1vga s PRO 43 CO -0.03 -1.25 1.26 0.08 0.04 0.00 0.00 177.00 177.10 1vga s VAL 44 N -3.18 2.46 0.21 -0.36 1.01 -1.26 -4.32 120.40 114.95 1vga s VAL 44 Ca 0.61 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.74 1vga s VAL 44 Cb -0.09 -3.15 0.20 0.00 0.00 0.00 0.00 36.38 33.34 1vga s VAL 44 CO 0.44 -0.03 1.59 0.77 0.00 0.00 0.00 175.10 177.87 1vga h SER 45 N 1.27 -1.00 0.49 3.32 4.64 -1.95 0.22 113.55 120.54 1vga h SER 45 Ca -0.50 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1vga h SER 45 Cb 1.29 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1vga h SER 45 CO 0.57 -0.28 0.00 1.33 -0.87 0.00 0.00 176.83 177.58 1vga n VAL 46 N -5.46 1.04 1.00 0.95 0.24 -1.26 -1.95 118.33 112.90 1vga n VAL 46 Ca 0.07 0.26 0.10 0.00 -2.04 0.00 0.00 64.34 62.73 1vga n VAL 46 Cb 0.37 -1.04 -0.07 0.00 -1.47 0.00 0.00 33.84 31.62 1vga n VAL 46 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1vga n HIS 47 N -1.55 0.00 0.02 6.34 -0.00 0.69 -4.61 115.22 116.11 1vga n HIS 47 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.65 1vga n HIS 47 Cb 0.16 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.99 30.09 1vga n HIS 47 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.34 175.42 1vga h TYR 48 N 0.11 -0.52 -0.26 4.41 5.03 -0.61 0.11 116.97 125.23 1vga h TYR 48 Ca 0.00 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.38 1vga h TYR 48 Cb 0.51 0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.99 1vga h TYR 48 CO 0.00 -0.28 0.01 0.22 -1.32 0.00 0.00 178.16 176.79 1vga h ASP 49 N -0.28 -0.09 -0.00 -2.11 3.58 -1.81 0.18 116.42 115.89 1vga h ASP 49 Ca 0.08 0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.61 1vga h ASP 49 Cb 0.40 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1vga h ASP 49 CO -0.24 -0.01 -0.12 -0.74 -2.88 0.00 0.00 179.24 175.25 1vga h HIS 50 N 0.09 -0.30 -0.71 0.28 2.76 -1.80 -1.93 115.15 113.54 1vga h HIS 50 Ca 0.13 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1vga h HIS 50 Cb 0.16 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.22 1vga h HIS 50 CO -0.20 -0.18 0.45 1.15 -1.30 0.00 0.00 177.93 177.85 1vga h THR 51 N -0.20 1.19 -0.57 6.26 2.02 -0.54 -1.87 112.91 119.20 1vga h THR 51 Ca 0.04 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.78 1vga h THR 51 Cb 0.25 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1vga h THR 51 CO -0.12 0.19 0.10 -0.09 0.37 0.00 0.00 175.52 175.97 1vga h ARG 52 N 0.96 0.90 0.00 6.66 9.65 -0.43 -1.33 114.38 130.79 1vga h ARG 52 Ca 0.26 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.87 1vga h ARG 52 Cb -0.08 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.38 1vga h ARG 52 CO -0.05 0.83 -0.27 1.57 2.80 0.00 0.00 179.97 184.85 1vga h LYS 53 N 0.85 0.00 0.20 0.20 2.10 -1.05 -3.27 116.57 115.60 1vga h LYS 53 Ca 0.18 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.50 1vga h LYS 53 Cb 0.37 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1vga h LYS 53 CO 0.01 0.27 -1.52 -0.07 -2.00 0.00 0.00 179.45 176.13 1vga h LEU 54 N 0.00 0.65 -9.77 7.07 3.38 -1.07 -3.46 115.31 112.11 1vga h LEU 54 Ca -0.00 -0.78 -0.51 0.00 0.09 0.00 0.00 57.88 56.68 1vga h LEU 54 Cb 1.07 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.63 1vga h LEU 54 CO 0.03 1.63 0.49 -0.76 0.09 0.00 0.00 178.44 179.93 1vga s LEU 55 N -7.35 4.53 0.72 1.67 1.43 -0.53 -4.89 118.68 114.27 1vga s LEU 55 Ca -0.10 2.25 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 1vga s LEU 55 Cb 0.05 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.68 1vga s LEU 55 CO 0.90 -0.19 1.12 -1.10 0.23 0.00 0.00 176.35 177.31 1vga s GLN 56 N -1.16 2.41 0.45 1.70 -0.21 -1.26 -4.91 119.66 116.68 1vga s GLN 56 Ca 0.46 1.41 0.19 0.00 0.02 0.00 0.00 55.36 57.44 1vga s GLN 56 Cb -0.32 -1.90 1.15 0.00 1.00 0.00 0.00 33.01 32.94 1vga s GLN 56 CO 0.40 -1.56 1.92 0.66 -2.12 0.00 0.00 175.29 174.59 1vga h SER 57 N -0.46 0.30 -0.15 5.90 4.64 -1.95 -1.89 113.55 119.94 1vga h SER 57 Ca -0.46 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1vga h SER 57 Cb 1.25 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1vga h SER 57 CO 0.52 0.14 0.20 0.07 -0.87 0.00 0.00 176.83 176.89 1vga h LYS 58 N 0.31 0.00 -5.87 4.77 2.10 -1.95 -3.39 116.57 112.55 1vga h LYS 58 Ca 0.37 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.45 1vga h LYS 58 Cb 1.01 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.27 1vga h LYS 58 CO -0.10 0.00 0.12 -0.06 -2.00 0.00 0.00 179.45 177.41 1vga s PHE 59 N -4.54 3.48 0.48 0.07 0.08 -0.71 -4.62 117.98 112.22 1vga s PHE 59 Ca -0.05 1.11 -0.05 0.00 0.12 0.00 0.00 56.93 58.06 1vga s PHE 59 Cb 0.14 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 1vga s PHE 59 CO 0.51 -0.04 0.77 -1.12 -0.10 0.00 0.00 175.22 175.24 1vga s SER 60 N 0.96 6.22 0.10 1.36 0.01 0.88 -4.88 113.70 118.35 1vga s SER 60 Ca 0.33 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.48 1vga s SER 60 Cb -0.17 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1vga s SER 60 CO 0.14 -0.58 -0.07 0.42 0.41 0.00 0.00 173.24 173.55 1vga s THR 61 N -2.72 0.74 0.32 1.44 -4.23 -1.26 -0.94 115.64 108.99 1vga s THR 61 Ca 0.47 -1.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1vga s THR 61 Cb -0.10 -1.54 0.05 0.00 1.34 0.00 0.00 72.50 72.24 1vga s THR 61 CO 0.44 -0.78 0.65 0.61 -0.54 0.00 0.00 174.62 175.01 1vga n GLY 62 N 0.18 1.15 3.61 3.99 0.00 -0.89 -2.81 105.19 110.41 1vga n GLY 62 Ca -0.14 -1.21 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1vga n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vga s ILE 63 N -2.26 3.28 -1.32 -0.61 -4.36 -0.48 -3.83 121.20 111.61 1vga s ILE 63 Ca 0.13 -1.89 0.26 0.00 -0.26 0.00 0.00 60.65 58.89 1vga s ILE 63 Cb -0.04 -2.72 0.40 0.00 1.25 0.00 0.00 42.46 41.35 1vga s ILE 63 CO 0.10 -0.30 1.88 0.00 0.24 0.00 0.00 174.94 176.85 1vga n GLN 64 N -0.61 0.28 -3.54 0.37 6.02 -1.26 -1.56 117.38 117.08 1vga n GLN 64 Ca -0.07 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.88 1vga n GLN 64 Cb 0.58 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 1vga n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1vga s ASN 65 N -2.68 -0.33 0.05 1.08 2.47 -1.24 -4.41 114.94 109.88 1vga s ASN 65 Ca 0.22 0.11 -0.04 0.00 0.42 0.00 0.00 52.86 53.57 1vga s ASN 65 Cb 0.17 0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 40.28 1vga s ASN 65 CO 0.42 -0.47 0.07 0.54 -3.72 0.00 0.00 177.10 173.93 1vga s VAL 66 N -2.42 0.15 0.49 -5.21 0.11 -1.26 -4.85 120.40 107.41 1vga s VAL 66 Ca 0.04 -1.27 -0.20 0.00 -2.93 0.00 0.00 61.98 57.62 1vga s VAL 66 Cb -0.01 -1.06 -0.08 0.00 -1.53 0.00 0.00 36.38 33.69 1vga s VAL 66 CO -0.05 -0.70 1.04 -0.55 -3.33 0.00 0.00 175.10 171.50 1vga s SER 67 N -2.37 6.33 0.00 3.54 0.15 0.45 -4.93 113.70 116.86 1vga s SER 67 Ca -0.01 1.92 0.25 0.00 0.70 0.00 0.00 55.95 58.81 1vga s SER 67 Cb 0.01 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.35 1vga s SER 67 CO -0.07 -0.79 1.46 2.29 1.20 0.00 0.00 173.24 177.34 1vga n LYS 68 N -1.02 0.25 -3.97 5.44 2.85 -1.26 -4.61 118.16 115.84 1vga n LYS 68 Ca 0.09 -0.14 -0.21 0.00 -1.05 0.00 0.00 58.31 57.00 1vga n LYS 68 Cb 0.53 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 1vga n LYS 68 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1vga s PHE 69 N -2.85 3.33 0.00 5.58 0.08 -1.26 -4.72 117.98 118.14 1vga s PHE 69 Ca 0.15 -0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.14 1vga s PHE 69 Cb 0.18 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1vga s PHE 69 CO 0.65 0.43 0.00 0.41 -0.10 0.00 0.00 175.22 176.60 1vga n GLY 70 N -1.36 0.82 3.76 4.36 0.00 -1.26 -4.59 105.19 106.92 1vga n GLY 70 Ca -0.08 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1vga n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vga s ASN 71 N -1.00 5.42 0.00 1.61 0.02 -1.26 -4.81 114.94 114.92 1vga s ASN 71 Ca 0.00 2.27 0.00 0.00 -1.02 0.00 0.00 52.86 54.11 1vga s ASN 71 Cb 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.68 1vga s ASN 71 CO 0.00 -1.43 0.00 0.61 0.02 0.00 0.00 177.10 176.30 1vga n GLY 72 N 0.30 0.44 3.05 0.66 0.00 -1.26 -4.99 105.19 103.39 1vga n GLY 72 Ca 0.13 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 1vga n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vga n SER 73 N 0.00 4.34 -3.26 1.61 7.64 -1.26 -4.68 113.62 118.02 1vga n SER 73 Ca 0.00 -2.89 -0.25 0.00 1.01 0.00 0.00 58.87 56.74 1vga n SER 73 Cb 0.00 -1.68 -0.07 0.00 -1.01 0.00 0.00 64.21 61.45 1vga n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1vga n TYR 74 N 6.72 0.52 -1.57 1.43 4.01 -1.26 -5.11 117.16 121.89 1vga n TYR 74 Ca 0.50 -3.69 -0.53 0.00 -0.16 0.00 0.00 57.90 54.03 1vga n TYR 74 Cb 0.41 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 1vga n TYR 74 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1vga n THR 75 N 1.36 0.13 -0.10 -0.72 -1.04 -1.26 -1.65 114.28 111.00 1vga n THR 75 Ca 0.23 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1vga n THR 75 Cb 0.50 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1vga n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vga n GLY 76 N 2.32 1.75 3.94 3.41 0.00 -1.26 -5.05 105.19 110.31 1vga n GLY 76 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1vga n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vga s GLU 77 N -0.36 3.48 -0.21 1.61 0.41 -0.66 -5.09 118.70 117.88 1vga s GLU 77 Ca 0.00 -0.49 0.02 0.00 -0.41 0.00 0.00 54.97 54.09 1vga s GLU 77 Cb 0.00 -2.85 0.03 0.00 -1.78 0.00 0.00 34.13 29.53 1vga s GLU 77 CO 0.00 0.39 -0.16 0.08 -0.49 0.00 0.00 175.26 175.08 1vga s VAL 78 N -1.94 2.13 0.64 2.63 1.01 -1.26 -5.00 120.40 118.62 1vga s VAL 78 Ca 0.37 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1vga s VAL 78 Cb -0.10 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1vga s VAL 78 CO 0.30 0.32 1.04 -0.94 0.00 0.00 0.00 175.10 175.82 1vga s SER 79 N 1.22 5.98 0.39 3.32 1.04 -1.26 -0.41 113.70 123.98 1vga s SER 79 Ca -0.00 1.41 0.15 0.00 0.48 0.00 0.00 55.95 57.99 1vga s SER 79 Cb -0.16 -2.40 0.80 0.00 0.10 0.00 0.00 66.02 64.36 1vga s SER 79 CO -0.10 -1.03 1.85 0.00 0.98 0.00 0.00 173.24 174.94 1vga h ALA 80 N -0.43 1.34 -0.44 5.32 0.00 -1.81 -2.00 119.26 121.23 1vga h ALA 80 Ca -0.44 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 1vga h ALA 80 Cb 1.20 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1vga h ALA 80 CO 0.61 0.43 0.12 0.93 0.00 0.00 0.00 179.25 181.34 1vga h GLU 81 N 0.00 0.70 -0.61 0.00 3.07 -1.92 -0.72 114.58 115.09 1vga h GLU 81 Ca -0.00 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.61 1vga h GLU 81 Cb 0.64 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1vga h GLU 81 CO 0.04 0.69 0.04 0.82 -1.40 0.00 0.00 179.01 179.20 1vga h ILE 82 N 0.58 1.26 -0.52 3.13 2.04 -1.84 -1.99 117.51 120.17 1vga h ILE 82 Ca 0.14 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1vga h ILE 82 Cb 0.29 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1vga h ILE 82 CO -0.00 0.40 0.22 0.00 0.00 0.00 0.00 178.15 178.77 1vga h ALA 83 N 1.06 0.67 -0.64 1.87 0.00 -1.13 -2.15 119.26 118.94 1vga h ALA 83 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vga h ALA 83 Cb 0.51 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1vga h ALA 83 CO 0.02 0.27 0.35 -0.22 0.00 0.00 0.00 179.25 179.67 1vga h LYS 84 N 0.69 0.89 -0.14 0.00 3.64 -0.92 -0.51 116.57 120.22 1vga h LYS 84 Ca 0.17 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1vga h LYS 84 Cb 0.17 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1vga h LYS 84 CO -0.02 0.67 -0.06 0.22 -2.27 0.00 0.00 179.45 177.99 1vga h ASP 85 N 0.87 0.19 -0.10 4.20 3.58 -1.12 -1.01 116.42 123.04 1vga h ASP 85 Ca 0.23 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1vga h ASP 85 Cb 0.04 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1vga h ASP 85 CO -0.04 0.29 0.00 0.18 -2.88 0.00 0.00 179.24 176.79 1vga n LEU 86 N -4.35 1.27 -1.98 2.28 4.77 -0.83 -4.92 117.00 113.24 1vga n LEU 86 Ca -0.01 -0.50 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 1vga n LEU 86 Cb 0.21 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1vga n LEU 86 CO 0.37 0.25 -0.23 0.59 -1.33 0.00 0.00 177.39 177.04 1vga n ASN 87 N 0.04 -5.29 -4.65 -1.43 5.03 -0.38 -4.94 115.26 103.65 1vga n ASN 87 Ca 0.17 0.05 -0.43 0.00 0.87 0.00 0.00 54.58 55.24 1vga n ASN 87 Cb 0.28 -4.36 -0.02 0.00 -1.02 0.00 0.00 39.78 34.66 1vga n ASN 87 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1vga s ILE 88 N -2.88 4.25 0.08 2.41 1.01 -0.25 -4.93 121.20 120.89 1vga s ILE 88 Ca 0.00 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 62.00 1vga s ILE 88 Cb 0.00 -4.09 -0.25 0.00 0.01 0.00 0.00 42.46 38.14 1vga s ILE 88 CO 0.00 -0.28 1.18 -0.08 0.00 0.00 0.00 174.94 175.75 1vga h GLU 89 N 8.62 0.57 -5.93 2.79 4.81 -1.85 -3.41 114.58 120.18 1vga h GLU 89 Ca -0.26 -0.70 -0.53 0.00 -0.13 0.00 0.00 59.36 57.74 1vga h GLU 89 Cb 1.10 0.22 -0.15 0.00 0.63 0.00 0.00 28.75 30.54 1vga h GLU 89 CO 1.00 1.29 -0.76 0.71 -0.73 0.00 0.00 179.01 180.52 1vga s TYR 90 N -3.12 1.96 0.01 0.92 2.02 -1.12 -0.92 117.35 117.10 1vga s TYR 90 Ca -0.08 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1vga s TYR 90 Cb 0.07 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1vga s TYR 90 CO 0.91 0.47 -0.03 0.14 -1.57 0.00 0.00 175.55 175.47 1vga s VAL 91 N -2.50 0.17 -0.14 0.71 -7.23 -0.63 -1.39 120.40 109.39 1vga s VAL 91 Ca 0.23 -0.54 -0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1vga s VAL 91 Cb -0.04 -0.23 -0.05 0.00 0.56 0.00 0.00 36.38 36.62 1vga s VAL 91 CO 0.09 -0.24 0.19 -0.63 -0.31 0.00 0.00 175.10 174.21 1vga s ILE 92 N -0.78 5.39 -0.02 -0.62 1.01 -0.60 -0.74 121.20 124.83 1vga s ILE 92 Ca -0.07 0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.94 1vga s ILE 92 Cb -0.06 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 1vga s ILE 92 CO -0.00 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 174.71 1vga s ILE 93 N -0.32 0.91 -0.40 2.92 1.01 0.34 -3.69 121.20 121.98 1vga s ILE 93 Ca 0.14 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1vga s ILE 93 Cb -0.12 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1vga s ILE 93 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1vga n GLY 94 N 3.04 0.68 3.68 6.18 0.00 -1.26 -0.19 105.19 117.32 1vga n GLY 94 Ca -0.16 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1vga n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vga n HIS 95 N -2.85 2.02 0.22 1.61 -0.00 -1.26 -4.36 115.22 110.60 1vga n HIS 95 Ca -0.04 0.53 0.15 0.00 0.46 0.00 0.00 57.72 58.83 1vga n HIS 95 Cb 0.15 -2.37 0.80 0.00 -0.12 0.00 0.00 29.99 28.45 1vga n HIS 95 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1vga h PHE 96 N 2.16 0.00 0.00 1.57 -0.00 -1.94 -1.22 116.94 117.52 1vga h PHE 96 Ca -0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.42 1vga h PHE 96 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.24 1vga h PHE 96 CO 0.48 0.00 -0.41 0.93 -0.00 0.00 0.00 178.31 179.31 1vga h GLU 97 N 0.00 0.00 0.03 6.09 5.08 -1.98 0.47 114.58 124.27 1vga h GLU 97 Ca 0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 1vga h GLU 97 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1vga h GLU 97 CO -0.00 0.41 -1.23 0.00 -1.00 0.00 0.00 179.01 177.19 1vga h ARG 98 N 0.00 0.06 -0.16 2.33 3.08 -1.58 0.12 114.38 118.22 1vga h ARG 98 Ca -0.00 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1vga h ARG 98 Cb 0.80 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1vga h ARG 98 CO 0.05 0.93 -0.57 0.00 -1.07 0.00 0.00 179.97 179.32 1vga h ARG 99 N 0.02 0.51 0.05 0.04 3.08 -1.06 -1.80 114.38 115.21 1vga h ARG 99 Ca -0.10 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 1vga h ARG 99 Cb 1.87 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.96 1vga h ARG 99 CO 0.13 0.94 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.72 1vga h LYS 100 N 0.38 -0.06 0.00 0.04 3.64 -0.06 -3.30 116.57 117.21 1vga h LYS 100 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1vga h LYS 100 Cb 1.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1vga h LYS 100 CO 0.10 0.50 -1.04 1.88 -2.27 0.00 0.00 179.45 178.63 1vga h TYR 101 N -0.94 0.00 0.00 1.91 0.05 -1.09 -3.39 116.97 113.51 1vga h TYR 101 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1vga h TYR 101 Cb 0.59 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 1vga h TYR 101 CO 0.15 0.28 -0.35 1.19 -1.05 0.00 0.00 178.16 178.38 1vga n PHE 102 N -2.85 0.00 -3.01 4.88 3.72 -0.73 -4.99 117.46 114.47 1vga n PHE 102 Ca -0.03 -1.25 -0.18 0.00 -0.05 0.00 0.00 57.45 55.93 1vga n PHE 102 Cb 0.68 -0.21 -0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1vga n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1vga n HIS 103 N -1.14 -1.68 -2.31 1.38 8.25 -1.18 -4.91 115.22 113.63 1vga n HIS 103 Ca 0.17 0.29 -0.42 0.00 -0.26 0.00 0.00 57.72 57.50 1vga n HIS 103 Cb 0.69 -2.74 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 1vga n HIS 103 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1vga s GLU 104 N -5.63 4.41 0.42 -0.41 2.12 -0.90 -4.99 118.70 113.72 1vga s GLU 104 Ca 0.25 1.92 0.08 0.00 0.36 0.00 0.00 54.97 57.57 1vga s GLU 104 Cb -0.13 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1vga s GLU 104 CO 0.30 -0.26 0.33 0.95 -0.54 0.00 0.00 175.26 176.04 1vga s THR 105 N 0.64 2.56 0.33 -1.70 -4.23 -1.26 -4.45 115.64 107.52 1vga s THR 105 Ca 0.58 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1vga s THR 105 Cb -0.33 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.81 1vga s THR 105 CO 0.33 0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.79 1vga h ASP 106 N 1.12 0.78 -0.25 3.99 3.32 -1.97 -0.63 116.42 122.77 1vga h ASP 106 Ca -0.42 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.52 1vga h ASP 106 Cb 1.26 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1vga h ASP 106 CO 0.60 0.51 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.32 1vga h GLU 107 N 0.89 0.73 -0.43 3.56 4.57 -1.95 -0.66 114.58 121.28 1vga h GLU 107 Ca 0.34 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1vga h GLU 107 Cb 0.20 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1vga h GLU 107 CO -0.12 0.89 0.19 -0.44 -1.18 0.00 0.00 179.01 178.36 1vga h ASP 108 N 0.63 0.58 -0.42 1.04 3.32 -1.59 -0.87 116.42 119.12 1vga h ASP 108 Ca 0.09 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.03 1vga h ASP 108 Cb 0.72 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1vga h ASP 108 CO 0.06 0.57 0.20 0.58 -1.72 0.00 0.00 179.24 178.92 1vga h VAL 109 N 0.56 0.95 -0.25 -1.35 2.07 -0.82 -0.42 116.25 116.99 1vga h VAL 109 Ca 0.15 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1vga h VAL 109 Cb 0.15 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1vga h VAL 109 CO -0.02 0.07 0.11 -0.09 0.02 0.00 0.00 177.57 177.67 1vga h ARG 110 N 0.40 0.24 -0.58 1.57 2.43 -0.74 -0.05 114.38 117.65 1vga h ARG 110 Ca 0.18 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1vga h ARG 110 Cb 0.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1vga h ARG 110 CO -0.14 0.16 0.17 0.93 -1.51 0.00 0.00 179.97 179.57 1vga h GLU 111 N 0.24 0.89 -0.24 0.20 5.08 -0.81 -0.75 114.58 119.19 1vga h GLU 111 Ca 0.10 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1vga h GLU 111 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1vga h GLU 111 CO -0.08 0.78 -0.45 0.87 -1.00 0.00 0.00 179.01 179.13 1vga h LYS 112 N 0.86 0.60 -0.35 2.33 1.57 -0.77 -1.77 116.57 119.04 1vga h LYS 112 Ca 0.19 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.58 1vga h LYS 112 Cb 0.27 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1vga h LYS 112 CO -0.01 0.93 -0.01 1.25 -0.57 0.00 0.00 179.45 181.04 1vga h LEU 113 N 0.48 0.62 -0.65 2.94 5.85 -0.52 -0.60 115.31 123.44 1vga h LEU 113 Ca 0.03 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1vga h LEU 113 Cb 0.97 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1vga h LEU 113 CO 0.09 0.79 0.38 -0.61 -0.34 0.00 0.00 178.44 178.75 1vga h GLN 114 N 0.44 0.89 -0.65 1.25 4.15 -1.06 -0.33 115.11 119.79 1vga h GLN 114 Ca 0.10 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.35 1vga h GLN 114 Cb 0.48 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1vga h GLN 114 CO 0.02 0.65 0.10 0.00 -1.93 0.00 0.00 178.83 177.67 1vga h ALA 115 N 1.19 0.87 0.14 3.38 0.00 -1.18 -1.49 119.26 122.16 1vga h ALA 115 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vga h ALA 115 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1vga h ALA 115 CO -0.04 0.64 -0.07 0.77 0.00 0.00 0.00 179.25 180.55 1vga h SER 116 N 1.00 -0.16 -0.91 0.00 0.02 -0.62 -2.50 113.55 110.38 1vga h SER 116 Ca 0.20 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1vga h SER 116 Cb 0.45 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1vga h SER 116 CO 0.01 0.05 0.59 -0.07 -1.14 0.00 0.00 176.83 176.27 1vga h LEU 117 N -0.36 1.06 -1.96 5.07 4.07 -1.03 -0.96 115.31 121.20 1vga h LEU 117 Ca -0.02 -0.04 0.02 0.00 0.08 0.00 0.00 57.88 57.92 1vga h LEU 117 Cb 0.29 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 1vga h LEU 117 CO 0.03 0.79 0.07 0.50 -1.08 0.00 0.00 178.44 178.74 1vga h LYS 118 N 1.24 0.05 -0.71 1.13 3.64 -1.16 -2.03 116.57 118.73 1vga h LYS 118 Ca 0.33 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.43 1vga h LYS 118 Cb -0.12 -0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 31.53 1vga h LYS 118 CO -0.07 0.03 0.30 0.09 -2.27 0.00 0.00 179.45 177.53 1vga n ASN 119 N -4.52 4.06 -2.35 4.20 3.02 -0.53 -4.95 115.26 114.20 1vga n ASN 119 Ca -0.01 -3.41 -0.17 0.00 -0.03 0.00 0.00 54.58 50.96 1vga n ASN 119 Cb 0.15 -0.74 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 1vga n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vga n ASN 120 N -0.63 -5.08 -4.91 6.41 4.13 -0.76 -4.66 115.26 109.76 1vga n ASN 120 Ca 0.43 0.10 -0.30 0.00 1.68 0.00 0.00 54.58 56.49 1vga n ASN 120 Cb 1.37 -4.28 -0.04 0.00 -1.54 0.00 0.00 39.78 35.30 1vga n ASN 120 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vga s LEU 121 N -5.76 4.20 -0.10 3.41 1.43 -0.48 -5.02 118.68 116.37 1vga s LEU 121 Ca 0.00 0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 53.58 1vga s LEU 121 Cb 0.00 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1vga s LEU 121 CO 0.00 -0.04 0.22 -0.54 0.23 0.00 0.00 176.35 176.22 1vga s LYS 122 N -3.07 3.68 -0.09 1.70 1.02 -0.09 -4.27 119.74 118.62 1vga s LYS 122 Ca 0.41 0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.43 1vga s LYS 122 Cb -0.11 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1vga s LYS 122 CO 0.27 0.68 -0.14 0.00 -0.92 0.00 0.00 175.35 175.24 1vga s ALA 123 N -0.81 2.63 -0.52 5.17 0.00 -0.44 -1.61 121.76 126.18 1vga s ALA 123 Ca 0.17 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.08 1vga s ALA 123 Cb -0.13 -1.08 0.13 0.00 0.00 0.00 0.00 23.12 22.04 1vga s ALA 123 CO 0.06 0.40 0.41 0.08 0.00 0.00 0.00 175.76 176.71 1vga s VAL 124 N -0.17 4.50 -0.27 0.00 1.01 0.08 0.34 120.40 125.89 1vga s VAL 124 Ca -0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.03 1vga s VAL 124 Cb -0.13 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1vga s VAL 124 CO 0.03 -0.82 0.21 -0.69 0.00 0.00 0.00 175.10 173.83 1vga s VAL 125 N 1.26 5.30 0.07 2.92 1.01 -0.00 -0.50 120.40 130.46 1vga s VAL 125 Ca 0.06 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1vga s VAL 125 Cb -0.26 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1vga s VAL 125 CO -0.01 0.25 0.25 0.00 0.00 0.00 0.00 175.10 175.59 1vga s PHE 127 N -1.50 -0.10 0.00 0.00 -0.12 -0.85 -4.58 117.98 110.83 1vga s PHE 127 Ca 0.35 -0.32 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 1vga s PHE 127 Cb -0.13 0.70 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1vga s PHE 127 CO 0.25 -1.09 0.00 0.41 -0.05 0.00 0.00 175.22 174.74 1vga n GLY 128 N -0.50 3.65 3.87 1.99 0.00 -1.26 -0.06 105.19 112.88 1vga n GLY 128 Ca -0.05 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1vga n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1vga s GLU 129 N -2.19 3.81 0.73 1.61 1.03 -1.26 -4.84 118.70 117.60 1vga s GLU 129 Ca 0.00 0.56 -0.07 0.00 0.03 0.00 0.00 54.97 55.50 1vga s GLU 129 Cb 0.00 -2.34 0.09 0.00 -0.80 0.00 0.00 34.13 31.08 1vga s GLU 129 CO 0.00 -0.08 1.04 -1.54 -1.33 0.00 0.00 175.26 173.35 1vga s SER 130 N -3.13 4.53 0.16 0.83 1.04 -1.26 -2.83 113.70 113.03 1vga s SER 130 Ca 0.53 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 57.08 1vga s SER 130 Cb -0.10 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.23 1vga s SER 130 CO 0.31 -1.77 1.81 0.25 0.98 0.00 0.00 173.24 174.82 1vga h LEU 131 N -0.70 0.50 -0.92 2.42 5.85 -1.95 -1.47 115.31 119.05 1vga h LEU 131 Ca -0.43 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1vga h LEU 131 Cb 1.30 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1vga h LEU 131 CO 0.54 0.38 0.13 -0.08 -0.34 0.00 0.00 178.44 179.07 1vga h GLU 132 N 0.58 0.93 -0.06 1.25 4.81 -1.98 0.06 114.58 120.16 1vga h GLU 132 Ca 0.16 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1vga h GLU 132 Cb -0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1vga h GLU 132 CO -0.03 0.84 -0.37 1.96 -0.73 0.00 0.00 179.01 180.68 1vga h GLN 133 N 0.88 0.12 -0.13 1.92 4.20 -1.87 -1.53 115.11 118.71 1vga h GLN 133 Ca 0.19 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1vga h GLN 133 Cb 0.34 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1vga h GLN 133 CO 0.00 0.48 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.45 1vga h ARG 134 N 0.11 0.29 0.00 1.46 2.43 -0.57 -1.75 114.38 116.35 1vga h ARG 134 Ca 0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1vga h ARG 134 Cb 0.70 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1vga h ARG 134 CO 0.05 0.68 0.00 0.93 -1.51 0.00 0.00 179.97 180.12 1vga h GLU 135 N -0.08 0.00 -0.01 0.20 4.39 -0.63 0.27 114.58 118.71 1vga h GLU 135 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1vga h GLU 135 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1vga h GLU 135 CO 0.03 0.00 -0.17 1.04 -1.16 0.00 0.00 179.01 178.75 1vga n GLN 136 N -3.05 0.97 -2.97 2.33 1.13 -0.61 -4.93 117.38 110.25 1vga n GLN 136 Ca -0.03 -0.52 -0.19 0.00 -1.94 0.00 0.00 57.00 54.32 1vga n GLN 136 Cb 0.08 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 28.98 1vga n GLN 136 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1vga n ASN 137 N -0.56 -5.46 -0.36 1.08 5.15 0.94 -4.90 115.26 111.15 1vga n ASN 137 Ca 0.14 -0.27 0.09 0.00 -0.60 0.00 0.00 54.58 53.94 1vga n ASN 137 Cb 0.33 -4.26 0.17 0.00 -0.53 0.00 0.00 39.78 35.49 1vga n ASN 137 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1vga n LYS 138 N -3.62 1.97 0.01 1.20 5.02 -0.70 -4.79 118.16 117.25 1vga n LYS 138 Ca -0.08 -2.60 -0.11 0.00 -2.02 0.00 0.00 58.31 53.50 1vga n LYS 138 Cb 0.59 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 1vga n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1vga h THR 139 N 0.66 0.23 -0.56 -0.18 2.02 -1.85 0.39 112.91 113.63 1vga h THR 139 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1vga h THR 139 Cb 1.12 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1vga h THR 139 CO 0.08 0.00 0.13 0.40 0.37 0.00 0.00 175.52 176.50 1vga h ILE 140 N -0.44 1.23 0.26 3.11 1.08 -1.95 -0.84 117.51 119.95 1vga h ILE 140 Ca 0.08 -0.84 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 1vga h ILE 140 Cb 0.58 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1vga h ILE 140 CO -0.36 0.31 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.21 1vga h GLU 141 N 0.82 -0.33 -0.23 2.37 4.81 -1.63 0.89 114.58 121.28 1vga h GLU 141 Ca 0.18 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1vga h GLU 141 Cb 0.31 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1vga h GLU 141 CO -0.00 -0.20 0.09 0.28 -0.73 0.00 0.00 179.01 178.44 1vga h VAL 142 N -0.37 0.96 -0.27 0.32 2.07 -0.06 -2.04 116.25 116.86 1vga h VAL 142 Ca -0.04 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1vga h VAL 142 Cb 0.28 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1vga h VAL 142 CO 0.06 0.04 0.14 0.40 0.02 0.00 0.00 177.57 178.22 1vga h ILE 143 N 0.20 1.00 -0.53 4.57 1.08 -1.02 -0.81 117.51 122.00 1vga h ILE 143 Ca 0.10 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1vga h ILE 143 Cb 0.05 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.43 1vga h ILE 143 CO -0.09 0.05 0.22 0.74 -0.69 0.00 0.00 178.15 178.38 1vga h THR 144 N 0.29 0.87 -0.51 -0.27 2.02 -0.58 0.34 112.91 115.07 1vga h THR 144 Ca 0.11 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1vga h THR 144 Cb 0.02 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1vga h THR 144 CO -0.07 0.08 0.14 0.50 0.37 0.00 0.00 175.52 176.54 1vga h LYS 145 N 0.43 0.81 -0.51 6.66 3.64 -1.04 -0.36 116.57 126.20 1vga h LYS 145 Ca 0.25 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1vga h LYS 145 Cb 0.23 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1vga h LYS 145 CO -0.22 0.77 0.16 1.96 -2.27 0.00 0.00 179.45 179.85 1vga h GLN 146 N 0.71 0.80 -0.24 1.90 4.20 -0.57 -2.57 115.11 119.34 1vga h GLN 146 Ca 0.16 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1vga h GLN 146 Cb 0.31 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1vga h GLN 146 CO -0.00 0.74 -0.20 0.28 -0.67 0.00 0.00 178.83 178.98 1vga h VAL 147 N 0.70 1.31 0.00 -0.54 2.07 -0.85 -3.03 116.25 115.92 1vga h VAL 147 Ca 0.17 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1vga h VAL 147 Cb 0.27 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1vga h VAL 147 CO -0.01 0.42 0.00 0.11 0.02 0.00 0.00 177.57 178.11 1vga h LYS 148 N 0.27 0.00 0.00 1.57 1.57 -1.02 0.14 116.57 119.10 1vga h LYS 148 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1vga h LYS 148 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1vga h LYS 148 CO 0.05 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.84 1vga h ALA 149 N 2.01 1.14 0.00 3.86 0.00 -1.33 -3.36 119.26 121.59 1vga h ALA 149 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1vga h ALA 149 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vga h ALA 149 CO 0.00 0.12 -0.09 1.97 0.00 0.00 0.00 179.25 181.25 1vga n PHE 150 N -3.41 0.00 -0.13 0.00 1.16 -0.76 -4.65 117.46 109.67 1vga n PHE 150 Ca -0.01 0.00 0.20 0.00 -1.87 0.00 0.00 57.45 55.77 1vga n PHE 150 Cb 0.26 0.00 0.61 0.00 -1.61 0.00 0.00 39.48 38.74 1vga n PHE 150 CO 0.00 0.00 0.00 -0.24 -1.87 0.00 0.00 176.76 174.65 1vga h VAL 151 N 0.00 0.70 0.00 1.97 3.04 -0.90 -1.72 116.25 119.34 1vga h VAL 151 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1vga h VAL 151 Cb 0.00 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1vga h VAL 151 CO 0.00 0.04 0.00 -2.24 -1.01 0.00 0.00 177.57 174.36 1vga h ASP 152 N 0.19 0.00 1.31 3.17 2.03 -1.85 -2.69 116.42 118.58 1vga h ASP 152 Ca 0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1vga h ASP 152 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1vga h ASP 152 CO -0.07 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.07 1vga h LEU 153 N 0.00 0.00 -9.32 0.15 3.38 -1.70 -3.44 115.31 104.38 1vga h LEU 153 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1vga h LEU 153 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1vga h LEU 153 CO 0.00 0.00 0.88 -0.63 0.09 0.00 0.00 178.44 178.78 1vga s ILE 154 N -3.23 3.80 -0.15 1.22 1.01 -1.02 -4.89 121.20 117.95 1vga s ILE 154 Ca 0.08 1.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.80 1vga s ILE 154 Cb 0.10 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.77 1vga s ILE 154 CO 0.55 -0.03 -0.18 -0.90 0.00 0.00 0.00 174.94 174.37 1vga n ASP 155 N 5.83 1.67 -4.32 3.58 5.68 -1.26 -4.90 116.55 122.83 1vga n ASP 155 Ca 0.14 0.11 -0.38 0.00 -0.50 0.00 0.00 54.79 54.16 1vga n ASP 155 Cb 0.44 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 39.91 1vga n ASP 155 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1vga s ASN 156 N -6.10 5.25 0.00 -1.12 3.84 -1.26 -4.98 114.94 110.57 1vga s ASN 156 Ca -0.21 -0.90 0.00 0.00 0.21 0.00 0.00 52.86 51.95 1vga s ASN 156 Cb 0.07 -1.89 0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1vga s ASN 156 CO 0.30 -0.26 0.78 0.49 -2.79 0.00 0.00 177.10 175.61 1vga n PHE 157 N 4.86 0.00 0.20 0.43 3.01 -1.26 -1.94 117.46 122.76 1vga n PHE 157 Ca -0.13 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.42 1vga n PHE 157 Cb 0.46 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.79 1vga n PHE 157 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1vga n ASP 158 N -0.43 0.68 -0.37 4.37 8.00 -1.26 -3.77 116.55 123.77 1vga n ASP 158 Ca 0.00 -0.22 0.12 0.00 0.71 0.00 0.00 54.79 55.40 1vga n ASP 158 Cb 0.03 1.67 0.22 0.00 -0.02 0.00 0.00 41.12 43.02 1vga n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1vga n ASN 159 N -1.99 1.48 -4.07 -2.24 5.03 -0.82 -4.82 115.26 107.84 1vga n ASN 159 Ca -0.02 -1.18 -0.28 0.00 0.87 0.00 0.00 54.58 53.97 1vga n ASN 159 Cb 0.45 0.27 -0.17 0.00 -1.02 0.00 0.00 39.78 39.31 1vga n ASN 159 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1vga s VAL 160 N -2.47 1.44 -0.15 2.41 1.01 -1.25 -1.33 120.40 120.07 1vga s VAL 160 Ca 0.22 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1vga s VAL 160 Cb 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1vga s VAL 160 CO 0.53 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 175.25 1vga s ILE 161 N 0.79 2.39 0.28 2.22 1.09 0.15 -4.40 121.20 123.72 1vga s ILE 161 Ca -0.11 -0.87 -0.15 0.00 -1.10 0.00 0.00 60.65 58.42 1vga s ILE 161 Cb -0.16 -1.99 -0.08 0.00 -1.06 0.00 0.00 42.46 39.17 1vga s ILE 161 CO 0.02 0.53 0.70 -0.76 -0.10 0.00 0.00 174.94 175.33 1vga s LEU 162 N 0.80 4.15 -0.12 2.97 1.43 -0.18 -0.82 118.68 126.91 1vga s LEU 162 Ca -0.06 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1vga s LEU 162 Cb -0.15 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.23 1vga s LEU 162 CO -0.01 -0.12 0.00 -0.69 0.23 0.00 0.00 176.35 175.77 1vga s VAL 163 N -1.83 0.55 -0.24 -1.59 1.01 -0.24 0.38 120.40 118.44 1vga s VAL 163 Ca 0.50 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.08 1vga s VAL 163 Cb -0.12 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1vga s VAL 163 CO 0.19 0.11 0.57 -0.47 0.00 0.00 0.00 175.10 175.49 1vga s TYR 164 N 1.88 3.30 -0.39 5.22 5.04 -0.33 -2.01 117.35 130.07 1vga s TYR 164 Ca 0.03 0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1vga s TYR 164 Cb -0.14 -2.76 0.09 0.00 0.35 0.00 0.00 41.96 39.50 1vga s TYR 164 CO -0.07 -0.25 0.16 -1.21 -1.34 0.00 0.00 175.55 172.85 1vga s GLU 165 N 2.20 2.12 -0.95 4.97 2.02 0.91 0.49 118.70 130.46 1vga s GLU 165 Ca 0.24 -1.68 -0.24 0.00 0.02 0.00 0.00 54.97 53.32 1vga s GLU 165 Cb -0.16 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.58 1vga s GLU 165 CO 0.09 -0.97 1.64 -1.25 0.02 0.00 0.00 175.26 174.79 1vga s PRO 166 N 1.18 3.16 0.32 0.39 0.04 -1.26 -4.09 135.00 134.75 1vga s PRO 166 Ca 0.05 -0.73 0.07 0.00 0.04 0.00 0.00 61.00 60.44 1vga s PRO 166 Cb -0.22 -5.18 0.77 0.00 0.04 0.00 0.00 34.50 29.91 1vga s PRO 166 CO -0.03 -2.66 1.81 -0.07 0.04 0.00 0.00 177.00 176.09 1vga h LEU 167 N 14.80 0.74 -2.31 -3.56 3.38 -1.85 -0.25 115.31 126.26 1vga h LEU 167 Ca 0.13 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1vga h LEU 167 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1vga h LEU 167 CO 1.34 0.31 0.00 2.19 0.09 0.00 0.00 178.44 182.36 1vga h PHE 168 N 0.74 0.00 -0.27 1.13 -0.00 -1.85 -2.24 116.94 114.45 1vga h PHE 168 Ca 0.53 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.42 1vga h PHE 168 Cb 0.85 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 36.75 1vga h PHE 168 CO -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 178.31 178.26 1vga n ALA 169 N -2.00 3.56 -3.88 12.09 0.00 -0.11 -4.21 120.51 125.96 1vga n ALA 169 Ca -0.02 -2.76 -0.30 0.00 0.00 0.00 0.00 53.44 50.37 1vga n ALA 169 Cb 0.11 -0.69 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 1vga n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vga s ILE 170 N -3.04 2.31 -0.44 0.00 1.01 -0.84 -4.18 121.20 116.02 1vga s ILE 170 Ca 0.42 -3.25 0.00 0.00 0.00 0.00 0.00 60.65 57.82 1vga s ILE 170 Cb 0.37 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1vga s ILE 170 CO 0.04 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1vga n GLY 171 N 3.06 0.40 0.11 6.18 0.00 -1.26 -4.90 105.19 108.78 1vga n GLY 171 Ca 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.36 1vga n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vga n THR 172 N -3.56 0.18 0.00 2.61 -2.24 -1.26 -5.00 114.28 105.01 1vga n THR 172 Ca -0.05 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1vga n THR 172 Cb 0.39 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 1vga n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vga n GLY 173 N 0.07 3.09 3.40 3.38 0.00 -1.26 -5.05 105.19 108.83 1vga n GLY 173 Ca 0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1vga n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vga s LYS 174 N 0.00 -2.24 -0.21 1.61 1.02 -1.26 -5.08 119.74 113.59 1vga s LYS 174 Ca 0.00 0.15 -0.09 0.00 0.02 0.00 0.00 55.97 56.05 1vga s LYS 174 Cb 0.00 -1.46 0.08 0.00 -0.52 0.00 0.00 37.83 35.93 1vga s LYS 174 CO 0.00 -4.43 0.48 0.95 -0.92 0.00 0.00 175.35 171.43 1vga s THR 175 N -2.50 -0.35 0.01 2.17 -4.23 -1.26 -4.69 115.64 104.79 1vga s THR 175 Ca 0.69 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 61.05 1vga s THR 175 Cb -0.14 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 72.93 1vga s THR 175 CO 0.58 0.04 0.79 0.00 -0.54 0.00 0.00 174.62 175.49 1vga s ALA 176 N 2.03 3.32 0.49 3.99 0.00 -1.26 -5.01 121.76 125.32 1vga s ALA 176 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.11 1vga s ALA 176 Cb -0.10 -3.05 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 1vga s ALA 176 CO -0.14 -0.03 0.84 -0.08 0.00 0.00 0.00 175.76 176.35 1vga s THR 177 N 0.33 4.83 0.30 0.00 -1.32 -1.26 -4.90 115.64 113.62 1vga s THR 177 Ca 0.41 0.48 0.02 0.00 -1.21 0.00 0.00 61.69 61.38 1vga s THR 177 Cb -0.20 -3.83 0.29 0.00 -1.51 0.00 0.00 72.50 67.25 1vga s THR 177 CO 0.23 -0.82 1.87 -0.65 -2.21 0.00 0.00 174.62 173.04 1vga h PRO 178 N 0.40 0.94 -0.40 7.08 0.11 -1.97 -0.44 132.00 137.73 1vga h PRO 178 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vga h PRO 178 Cb 1.20 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1vga h PRO 178 CO 0.62 0.62 0.26 0.93 -0.21 0.00 0.00 178.00 180.22 1vga h GLU 179 N 0.97 0.53 -0.65 1.05 3.07 -1.93 0.13 114.58 117.75 1vga h GLU 179 Ca 0.45 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.20 1vga h GLU 179 Cb 0.41 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 1vga h GLU 179 CO -0.21 0.36 0.12 1.96 -1.40 0.00 0.00 179.01 179.84 1vga h GLN 180 N 0.54 1.07 -0.11 2.33 4.20 -1.70 -2.19 115.11 119.24 1vga h GLN 180 Ca 0.15 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1vga h GLN 180 Cb -0.05 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 1vga h GLN 180 CO -0.03 0.98 0.03 0.00 -0.67 0.00 0.00 178.83 179.14 1vga h ALA 181 N 1.04 0.15 -0.74 3.87 0.00 -0.76 -2.68 119.26 120.14 1vga h ALA 181 Ca 0.20 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1vga h ALA 181 Cb 0.42 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1vga h ALA 181 CO 0.01 -0.23 0.40 0.37 0.00 0.00 0.00 179.25 179.79 1vga h GLN 182 N -0.02 0.66 -0.51 0.00 5.75 -0.64 0.20 115.11 120.55 1vga h GLN 182 Ca 0.04 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1vga h GLN 182 Cb 0.23 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 1vga h GLN 182 CO -0.00 0.44 0.26 -0.07 -2.65 0.00 0.00 178.83 176.81 1vga h LEU 183 N 0.68 0.38 -0.11 -2.39 3.38 -1.23 0.63 115.31 116.65 1vga h LEU 183 Ca 0.35 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 1vga h LEU 183 Cb 0.33 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vga h LEU 183 CO -0.24 0.26 -0.01 0.58 0.09 0.00 0.00 178.44 179.12 1vga h VAL 184 N 0.51 1.26 -0.88 1.22 2.07 -1.01 -2.36 116.25 117.06 1vga h VAL 184 Ca 0.22 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.97 1vga h VAL 184 Cb 0.13 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 1vga h VAL 184 CO -0.15 0.24 0.55 0.45 0.02 0.00 0.00 177.57 178.68 1vga h HIS 185 N -0.08 1.01 -0.80 1.57 3.86 -0.69 0.18 115.15 120.21 1vga h HIS 185 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1vga h HIS 185 Cb 0.38 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1vga h HIS 185 CO 0.04 0.50 0.46 -0.22 0.86 0.00 0.00 177.93 179.57 1vga h LYS 186 N 0.99 1.09 -0.21 2.45 3.64 -0.80 -0.31 116.57 123.42 1vga h LYS 186 Ca 0.39 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1vga h LYS 186 Cb 0.20 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1vga h LYS 186 CO -0.18 0.78 -0.43 1.49 -2.27 0.00 0.00 179.45 178.84 1vga h GLU 187 N 1.10 0.50 -0.61 1.90 4.57 -0.67 -1.80 114.58 119.56 1vga h GLU 187 Ca 0.28 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1vga h GLU 187 Cb -0.01 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1vga h GLU 187 CO -0.05 0.84 0.03 0.82 -1.18 0.00 0.00 179.01 179.47 1vga h ILE 188 N 0.41 1.27 -0.10 2.32 2.04 -0.07 -1.34 117.51 122.02 1vga h ILE 188 Ca 0.03 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 1vga h ILE 188 Cb 0.92 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1vga h ILE 188 CO 0.08 0.41 -0.36 -0.09 0.00 0.00 0.00 178.15 178.19 1vga h ARG 189 N 0.97 0.21 -0.19 2.37 2.43 -0.89 -2.24 114.38 117.04 1vga h ARG 189 Ca 0.18 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1vga h ARG 189 Cb 0.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1vga h ARG 189 CO 0.03 0.55 -0.40 -0.22 -1.51 0.00 0.00 179.97 178.41 1vga h LYS 190 N 0.18 0.44 -0.52 0.20 3.64 -0.92 -0.53 116.57 119.06 1vga h LYS 190 Ca 0.02 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1vga h LYS 190 Cb 0.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 1vga h LYS 190 CO 0.05 0.77 0.07 0.82 -2.27 0.00 0.00 179.45 178.90 1vga h ILE 191 N 0.37 1.25 -0.55 2.00 2.04 -0.82 -0.89 117.51 120.92 1vga h ILE 191 Ca 0.03 -0.96 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 1vga h ILE 191 Cb 0.87 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1vga h ILE 191 CO 0.07 0.34 -0.07 0.58 0.00 0.00 0.00 178.15 179.08 1vga h VAL 192 N 0.74 1.26 -0.50 1.67 2.07 -1.14 -0.41 116.25 119.95 1vga h VAL 192 Ca 0.16 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1vga h VAL 192 Cb 0.42 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1vga h VAL 192 CO 0.01 0.43 0.24 0.50 0.02 0.00 0.00 177.57 178.77 1vga h LYS 193 N 0.90 0.73 0.00 1.57 3.64 -0.81 0.37 116.57 122.97 1vga h LYS 193 Ca 0.15 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1vga h LYS 193 Cb 0.62 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1vga h LYS 193 CO 0.04 0.62 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.34 1vga h ASP 194 N 0.67 0.00 0.00 4.20 3.32 -1.03 -2.65 116.42 120.93 1vga h ASP 194 Ca 0.17 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1vga h ASP 194 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1vga h ASP 194 CO -0.02 0.01 -1.76 0.35 -1.72 0.00 0.00 179.24 176.10 1vga n THR 195 N -2.41 0.18 0.05 0.35 -2.24 -0.18 -4.88 114.28 105.15 1vga n THR 195 Ca 0.05 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1vga n THR 195 Cb 0.45 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1vga n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vga n GLY 197 N 3.31 2.33 0.19 0.00 0.00 -1.00 -4.96 105.19 105.06 1vga n GLY 197 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1vga n GLY 197 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vga h GLU 198 N 0.00 0.60 -0.89 1.61 4.81 -1.87 -0.58 114.58 118.25 1vga h GLU 198 Ca 0.00 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1vga h GLU 198 Cb 0.00 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1vga h GLU 198 CO 0.00 0.73 0.59 0.87 -0.73 0.00 0.00 179.01 180.47 1vga h LYS 199 N 0.40 1.14 -0.14 1.92 6.56 -1.95 -1.05 116.57 123.45 1vga h LYS 199 Ca 0.09 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 1vga h LYS 199 Cb 0.47 -0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1vga h LYS 199 CO 0.02 0.76 0.05 1.96 -2.06 0.00 0.00 179.45 180.18 1vga h GLN 200 N 1.18 0.20 -1.00 3.15 7.50 -1.88 -2.79 115.11 121.46 1vga h GLN 200 Ca 0.34 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 59.47 1vga h GLN 200 Cb -0.09 -0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.36 1vga h GLN 200 CO -0.09 0.30 0.66 0.00 -1.50 0.00 0.00 178.83 178.20 1vga h ALA 201 N 0.90 1.31 0.00 3.87 0.00 -0.74 -2.28 119.26 122.32 1vga h ALA 201 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vga h ALA 201 Cb 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1vga h ALA 201 CO -0.00 0.62 0.00 -0.91 0.00 0.00 0.00 179.25 178.95 1vga h ASN 202 N 1.32 0.00 0.00 0.00 2.35 -1.02 -3.25 115.58 114.98 1vga h ASN 202 Ca 0.38 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.09 1vga h ASN 202 Cb -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1vga h ASN 202 CO -0.10 0.00 -1.86 0.00 -1.65 0.00 0.00 177.43 173.82 1vga n GLN 203 N -2.72 0.65 -2.17 0.81 10.64 -0.93 -4.76 117.38 118.91 1vga n GLN 203 Ca 0.02 -0.14 -0.41 0.00 -1.83 0.00 0.00 57.00 54.64 1vga n GLN 203 Cb 0.29 -1.42 -0.03 0.00 -0.86 0.00 0.00 30.24 28.22 1vga n GLN 203 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1vga s ILE 204 N -3.11 2.96 0.06 -0.39 2.07 -0.90 -4.77 121.20 117.11 1vga s ILE 204 Ca -0.07 0.86 -0.25 0.00 -1.41 0.00 0.00 60.65 59.79 1vga s ILE 204 Cb 0.10 -3.55 -0.06 0.00 0.13 0.00 0.00 42.46 39.09 1vga s ILE 204 CO 0.73 0.17 0.75 -0.13 -1.91 0.00 0.00 174.94 174.55 1vga s ARG 205 N -0.88 4.49 -0.25 3.50 3.00 -1.26 -5.00 118.95 122.54 1vga s ARG 205 Ca 0.53 1.05 0.02 0.00 0.00 0.00 0.00 55.73 57.33 1vga s ARG 205 Cb -0.38 -3.35 0.06 0.00 0.00 0.00 0.00 34.95 31.28 1vga s ARG 205 CO 0.45 0.33 -0.07 0.42 0.00 0.00 0.00 175.30 176.42 1vga s ILE 206 N -0.20 1.82 0.20 1.52 -1.09 -1.26 -1.00 121.20 121.18 1vga s ILE 206 Ca 0.38 -1.45 -0.03 0.00 -2.23 0.00 0.00 60.65 57.32 1vga s ILE 206 Cb -0.21 -2.04 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 1vga s ILE 206 CO 0.23 -0.10 0.42 -0.76 -1.23 0.00 0.00 174.94 173.49 1vga s LEU 207 N 1.25 4.21 -0.22 2.97 1.43 0.16 -1.33 118.68 127.15 1vga s LEU 207 Ca -0.06 0.52 -0.19 0.00 -1.03 0.00 0.00 54.13 53.36 1vga s LEU 207 Cb -0.19 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1vga s LEU 207 CO -0.06 -0.04 0.55 -0.47 0.23 0.00 0.00 176.35 176.56 1vga s TYR 208 N -1.84 3.35 -0.21 0.29 5.04 -0.53 -1.19 117.35 122.25 1vga s TYR 208 Ca 0.40 0.78 0.15 0.00 -2.44 0.00 0.00 57.07 55.97 1vga s TYR 208 Cb -0.11 -2.72 0.61 0.00 0.35 0.00 0.00 41.96 40.09 1vga s TYR 208 CO 0.28 -0.17 1.52 0.41 -1.34 0.00 0.00 175.55 176.25 1vga n GLY 209 N 3.99 3.84 1.08 8.97 0.00 0.18 -2.45 105.19 120.79 1vga n GLY 209 Ca -0.04 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.89 1vga n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vga n GLY 210 N -0.28 -0.05 3.59 -0.02 0.00 -1.25 -4.67 105.19 102.52 1vga n GLY 210 Ca 0.24 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 1vga n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vga n SER 211 N -3.08 3.19 -4.25 1.61 7.64 -1.26 -4.86 113.62 112.61 1vga n SER 211 Ca 0.05 0.46 -0.32 0.00 1.01 0.00 0.00 58.87 60.07 1vga n SER 211 Cb 0.16 -1.47 -0.17 0.00 -1.01 0.00 0.00 64.21 61.73 1vga n SER 211 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1vga s VAL 212 N 6.94 2.13 0.35 0.44 1.01 -1.26 -4.98 120.40 125.03 1vga s VAL 212 Ca 1.00 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1vga s VAL 212 Cb -0.51 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1vga s VAL 212 CO 0.41 0.56 0.42 0.54 0.00 0.00 0.00 175.10 177.04 1vga s ASN 213 N 0.14 1.21 0.57 3.32 2.20 -1.26 -4.56 114.94 116.56 1vga s ASN 213 Ca -0.12 -1.60 0.32 0.00 -0.94 0.00 0.00 52.86 50.52 1vga s ASN 213 Cb -0.16 0.64 1.73 0.00 -2.00 0.00 0.00 41.25 41.45 1vga s ASN 213 CO 0.07 -1.24 2.16 0.71 -2.94 0.00 0.00 177.10 175.86 1vga h THR 214 N 2.10 0.38 0.00 0.54 1.35 -1.95 -1.74 112.91 113.58 1vga h THR 214 Ca -0.27 -0.31 -0.19 0.00 -0.55 0.00 0.00 66.41 65.09 1vga h THR 214 Cb 1.24 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 1vga h THR 214 CO 0.38 0.06 -1.01 -0.08 -0.25 0.00 0.00 175.52 174.62 1vga h GLU 215 N 0.00 0.00 0.00 4.72 4.81 -2.00 -3.39 114.58 118.72 1vga h GLU 215 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1vga h GLU 215 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1vga h GLU 215 CO 0.01 0.70 -0.60 0.27 -0.73 0.00 0.00 179.01 178.67 1vga n ASN 216 N -3.22 1.23 -0.28 1.04 0.23 -1.13 -4.75 115.26 108.38 1vga n ASN 216 Ca -0.03 -0.46 0.08 0.00 -0.53 0.00 0.00 54.58 53.64 1vga n ASN 216 Cb 0.89 1.09 0.23 0.00 -2.08 0.00 0.00 39.78 39.91 1vga n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vga h SER 218 N 0.47 0.91 0.58 0.00 0.02 -1.85 -1.39 113.55 112.29 1vga h SER 218 Ca 0.47 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1vga h SER 218 Cb 0.77 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1vga h SER 218 CO -0.44 0.71 -0.38 0.77 -1.14 0.00 0.00 176.83 176.35 1vga h SER 219 N 1.04 0.00 0.03 3.07 4.64 -1.75 -2.76 113.55 117.82 1vga h SER 219 Ca 0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1vga h SER 219 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1vga h SER 219 CO -0.05 0.38 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.21 1vga h LEU 220 N 0.00 -0.04 -2.84 5.97 3.38 -1.10 -3.30 115.31 117.38 1vga h LEU 220 Ca -0.00 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1vga h LEU 220 Cb 0.78 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1vga h LEU 220 CO 0.05 0.73 -0.00 -0.29 0.09 0.00 0.00 178.44 179.02 1vga h ILE 221 N -0.95 0.15 0.00 1.22 6.09 -1.33 -1.19 117.51 121.50 1vga h ILE 221 Ca -0.00 -0.01 -0.05 0.00 -1.37 0.00 0.00 64.86 63.43 1vga h ILE 221 Cb 0.64 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 38.93 1vga h ILE 221 CO 0.01 0.00 -0.24 -0.61 -3.07 0.00 0.00 178.15 174.24 1vga h GLN 222 N 0.00 0.00 -6.84 2.19 4.15 -1.56 -3.45 115.11 109.60 1vga h GLN 222 Ca -0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 1vga h GLN 222 Cb 0.01 0.00 0.07 0.00 0.21 0.00 0.00 27.48 27.77 1vga h GLN 222 CO 0.00 0.24 0.72 -0.65 -1.93 0.00 0.00 178.83 177.21 1vga s GLN 223 N -3.92 4.27 0.40 1.69 -1.52 -0.45 -4.92 119.66 115.21 1vga s GLN 223 Ca -0.01 2.32 0.15 0.00 -1.95 0.00 0.00 55.36 55.87 1vga s GLN 223 Cb 0.12 -3.07 1.00 0.00 -0.22 0.00 0.00 33.01 30.84 1vga s GLN 223 CO 0.64 -0.35 1.87 0.93 -0.25 0.00 0.00 175.29 178.12 1vga h GLU 224 N 4.01 0.48 -0.40 2.91 5.08 -1.89 -2.66 114.58 122.12 1vga h GLU 224 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1vga h GLU 224 Cb 1.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1vga h GLU 224 CO 0.70 0.32 0.00 -0.25 -1.00 0.00 0.00 179.01 178.78 1vga n ASP 225 N -4.53 3.88 -4.31 1.42 8.00 -1.26 -4.87 116.55 114.88 1vga n ASP 225 Ca 0.18 -2.55 -0.37 0.00 0.71 0.00 0.00 54.79 52.76 1vga n ASP 225 Cb 0.61 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 41.12 1vga n ASP 225 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vga s ILE 226 N -2.00 3.79 -0.66 0.53 1.01 -1.00 -4.66 121.20 118.20 1vga s ILE 226 Ca 0.39 -0.81 0.16 0.00 0.00 0.00 0.00 60.65 60.39 1vga s ILE 226 Cb 0.27 -2.98 0.66 0.00 0.01 0.00 0.00 42.46 40.42 1vga s ILE 226 CO 0.15 0.05 1.58 0.47 0.00 0.00 0.00 174.94 177.19 1vga n ASP 227 N 4.83 4.65 0.00 3.58 8.00 -0.44 -4.71 116.55 132.46 1vga n ASP 227 Ca -0.14 -2.66 0.00 0.00 0.71 0.00 0.00 54.79 52.69 1vga n ASP 227 Cb 0.47 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1vga n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vga n GLY 228 N 0.56 0.55 3.42 0.44 0.00 -1.26 -1.47 105.19 107.43 1vga n GLY 228 Ca 0.24 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1vga n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vga s PHE 229 N -2.88 0.05 -0.34 1.61 0.40 -0.73 -1.45 117.98 114.63 1vga s PHE 229 Ca 0.00 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1vga s PHE 229 Cb 0.00 0.21 0.08 0.00 0.51 0.00 0.00 43.02 43.82 1vga s PHE 229 CO 0.00 -0.81 0.08 -1.17 0.70 0.00 0.00 175.22 174.02 1vga s LEU 230 N -2.89 4.46 -0.14 -0.37 2.96 -1.03 -0.71 118.68 120.96 1vga s LEU 230 Ca 0.11 -1.61 -0.14 0.00 -0.22 0.00 0.00 54.13 52.27 1vga s LEU 230 Cb 0.01 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.91 1vga s LEU 230 CO -0.03 -0.37 0.31 -0.69 -1.32 0.00 0.00 176.35 174.24 1vga s VAL 231 N 1.18 5.28 0.00 1.68 1.01 0.42 -4.58 120.40 125.40 1vga s VAL 231 Ca 0.01 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1vga s VAL 231 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1vga s VAL 231 CO -0.03 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1vga n GLY 232 N 3.14 0.74 0.47 4.51 0.00 -1.26 -0.77 105.19 112.02 1vga n GLY 232 Ca -0.12 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.19 1vga n GLY 232 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1vga h ASN 233 N 0.00 0.00 0.42 1.61 2.35 -1.93 0.18 115.58 118.21 1vga h ASN 233 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vga h ASN 233 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1vga h ASN 233 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1vga h ALA 234 N 1.49 1.00 -0.01 -0.83 0.00 -1.87 -1.69 119.26 117.35 1vga h ALA 234 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1vga h ALA 234 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1vga h ALA 234 CO -0.00 0.00 -0.05 -1.13 0.00 0.00 0.00 179.25 178.07 1vga n SER 235 N -2.64 0.79 -0.56 0.00 3.41 0.63 -3.32 113.62 111.93 1vga n SER 235 Ca -0.00 -1.08 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1vga n SER 235 Cb 0.15 -0.01 0.37 0.00 -0.26 0.00 0.00 64.21 64.46 1vga n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vga n LEU 236 N -0.50 1.82 -4.70 1.04 4.77 -0.64 -4.91 117.00 113.89 1vga n LEU 236 Ca 0.19 -0.60 -0.29 0.00 -0.03 0.00 0.00 56.01 55.28 1vga n LEU 236 Cb 0.27 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1vga n LEU 236 CO 0.19 0.31 -0.32 -0.54 -1.33 0.00 0.00 177.39 175.71 1vga s LYS 237 N -2.11 2.55 0.56 3.23 1.02 -1.21 -5.00 119.74 118.78 1vga s LYS 237 Ca 0.32 -0.92 0.29 0.00 0.02 0.00 0.00 55.97 55.68 1vga s LYS 237 Cb 0.20 -2.50 1.68 0.00 -0.52 0.00 0.00 37.83 36.69 1vga s LYS 237 CO 0.37 0.51 2.18 0.93 -0.92 0.00 0.00 175.35 178.42 1vga h GLU 238 N 3.08 0.00 0.00 1.68 5.08 -1.90 -1.48 114.58 121.03 1vga h GLU 238 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1vga h GLU 238 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1vga h GLU 238 CO 0.60 0.05 0.00 -1.13 -1.00 0.00 0.00 179.01 177.53 1vga n SER 239 N -3.72 0.00 -0.07 1.42 3.41 -1.26 -2.73 113.62 110.68 1vga n SER 239 Ca -0.02 0.06 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1vga n SER 239 Cb 0.15 -0.24 0.50 0.00 -0.26 0.00 0.00 64.21 64.36 1vga n SER 239 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1vga h PHE 240 N 0.00 0.42 -0.37 7.33 3.57 -1.44 -0.51 116.94 125.94 1vga h PHE 240 Ca 0.00 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1vga h PHE 240 Cb 0.09 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1vga h PHE 240 CO 0.00 0.21 0.29 -0.39 -2.23 0.00 0.00 178.31 176.19 1vga h VAL 241 N 0.40 0.69 0.00 1.41 -1.51 -1.77 0.22 116.25 115.70 1vga h VAL 241 Ca 0.26 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.61 1vga h VAL 241 Cb 0.50 0.79 -0.02 0.00 -2.13 0.00 0.00 31.29 30.43 1vga h VAL 241 CO -0.07 0.00 -0.60 0.44 -1.23 0.00 0.00 177.57 176.11 1vga h ASP 242 N 0.00 0.00 -0.01 4.19 3.32 -1.35 -1.06 116.42 121.51 1vga h ASP 242 Ca 0.18 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 1vga h ASP 242 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1vga h ASP 242 CO -0.00 0.60 -0.66 0.40 -1.72 0.00 0.00 179.24 177.85 1vga h ILE 243 N 0.00 1.32 -0.65 0.35 2.04 -0.66 -2.24 117.51 117.67 1vga h ILE 243 Ca -0.01 -1.93 -0.06 0.00 1.00 0.00 0.00 64.86 63.87 1vga h ILE 243 Cb 1.21 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 1vga h ILE 243 CO 0.08 0.60 0.17 0.40 0.00 0.00 0.00 178.15 179.39 1vga h ILE 244 N 0.46 1.26 -0.55 -0.67 2.04 -1.04 -2.66 117.51 116.34 1vga h ILE 244 Ca -0.02 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1vga h ILE 244 Cb 1.25 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1vga h ILE 244 CO 0.13 0.35 0.36 0.11 0.00 0.00 0.00 178.15 179.11 1vga h LYS 245 N 0.97 0.59 0.00 2.37 1.57 -0.91 -1.27 116.57 119.88 1vga h LYS 245 Ca 0.21 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1vga h LYS 245 Cb 0.35 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1vga h LYS 245 CO 0.00 0.39 0.00 0.66 -0.57 0.00 0.00 179.45 179.93 1vga h SER 246 N 0.61 0.00 -0.03 0.86 4.64 -1.03 -1.78 113.55 116.81 1vga h SER 246 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1vga h SER 246 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1vga h SER 246 CO -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.88 1vga n ALA 247 N -2.08 2.52 1.59 5.18 0.00 -0.49 -4.90 120.51 122.33 1vga n ALA 247 Ca -0.02 -0.67 0.14 0.00 0.00 0.00 0.00 53.44 52.90 1vga n ALA 247 Cb 0.13 -0.73 0.61 0.00 0.00 0.00 0.00 19.45 19.46 1vga n ALA 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17