#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 0.78 5.56 2.20 -1.26 -5.02 119.74 126.26 1vga s LYS 4 Ca 0.00 1.13 -0.13 0.00 -0.36 0.00 0.00 55.97 56.61 1vga s LYS 4 Cb 0.00 -3.61 0.07 0.00 -1.51 0.00 0.00 37.83 32.77 1vga s LYS 4 CO 0.00 -0.47 1.17 0.71 -0.36 0.00 0.00 175.35 176.39 1vga s TYR 5 N 2.66 2.05 -0.06 4.03 2.02 -1.26 -4.85 117.35 121.94 1vga s TYR 5 Ca 0.40 1.64 -0.02 0.00 -0.37 0.00 0.00 57.07 58.72 1vga s TYR 5 Cb -0.16 -3.36 0.04 0.00 -0.40 0.00 0.00 41.96 38.08 1vga s TYR 5 CO 0.09 -2.48 0.09 0.12 -1.57 0.00 0.00 175.55 171.80 1vga s PHE 6 N -2.30 -0.00 -0.15 2.71 2.19 -0.60 -1.55 117.98 118.29 1vga s PHE 6 Ca 0.70 0.34 0.01 0.00 0.33 0.00 0.00 56.93 58.31 1vga s PHE 6 Cb -0.25 -0.43 0.02 0.00 -1.31 0.00 0.00 43.02 41.05 1vga s PHE 6 CO 0.49 -0.22 -0.18 0.08 1.83 0.00 0.00 175.22 177.22 1vga s VAL 7 N 2.20 1.83 0.03 3.12 1.01 0.12 -1.76 120.40 126.95 1vga s VAL 7 Ca 0.04 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1vga s VAL 7 Cb -0.12 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1vga s VAL 7 CO -0.04 0.50 -0.23 0.00 0.00 0.00 0.00 175.10 175.33 1vga s ALA 8 N 1.14 1.98 -0.36 5.51 0.00 -0.05 -1.64 121.76 128.34 1vga s ALA 8 Ca -0.01 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 1vga s ALA 8 Cb -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.57 1vga s ALA 8 CO -0.07 0.46 0.19 0.00 0.00 0.00 0.00 175.76 176.35 1vga s ALA 9 N -0.74 3.27 -0.54 0.00 0.00 0.10 -0.51 121.76 123.35 1vga s ALA 9 Ca 0.09 -1.66 -0.15 0.00 0.00 0.00 0.00 51.96 50.24 1vga s ALA 9 Cb -0.09 -2.54 0.13 0.00 0.00 0.00 0.00 23.12 20.62 1vga s ALA 9 CO 0.01 -1.30 0.49 1.21 0.00 0.00 0.00 175.76 176.18 1vga s ASN 10 N 1.56 6.15 0.00 0.00 2.47 0.46 -0.17 114.94 125.41 1vga s ASN 10 Ca 0.02 -1.85 0.21 0.00 0.42 0.00 0.00 52.86 51.66 1vga s ASN 10 Cb -0.19 -2.18 1.22 0.00 -1.45 0.00 0.00 41.25 38.65 1vga s ASN 10 CO 0.06 -0.82 1.65 0.79 -3.72 0.00 0.00 177.10 175.06 1vga n TRP 11 N 5.14 0.00 -1.00 0.43 8.01 -1.03 -4.39 117.44 124.59 1vga n TRP 11 Ca -0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.07 1vga n TRP 11 Cb 0.40 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 29.64 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 -1.07 0.00 -2.86 -0.99 5.02 -1.26 -2.54 118.16 114.46 1vga n LYS 12 Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 1vga n LYS 12 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.11 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 -0.61 -0.01 0.00 0.00 -0.87 -1.05 -5.15 114.94 107.25 1vga s ASN 14 Ca 0.34 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.46 1vga s ASN 14 Cb 0.04 0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.50 1vga s ASN 14 CO 0.06 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 1vga n GLY 15 N 1.39 3.78 3.19 0.66 0.00 -1.26 -4.76 105.19 108.19 1vga n GLY 15 Ca -0.22 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.11 0.70 0.29 2.61 -4.23 -1.26 -5.01 115.64 106.64 1vga s THR 16 Ca 0.00 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1vga s THR 16 Cb 0.00 -1.81 0.29 0.00 1.34 0.00 0.00 72.50 72.31 1vga s THR 16 CO 0.00 -0.75 1.83 -0.07 -0.54 0.00 0.00 174.62 175.08 1vga h LEU 17 N 2.88 0.90 -0.16 4.79 3.38 -2.00 -1.40 115.31 123.70 1vga h LEU 17 Ca -0.36 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.44 1vga h LEU 17 Cb 1.18 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1vga h LEU 17 CO 0.64 0.45 -0.83 -0.33 0.09 0.00 0.00 178.44 178.47 1vga h GLU 18 N 0.95 0.74 -0.22 1.13 4.39 -2.00 -2.56 114.58 117.02 1vga h GLU 18 Ca 0.51 -0.64 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1vga h GLU 18 Cb 0.57 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1vga h GLU 18 CO -0.29 1.24 -0.27 0.66 -1.16 0.00 0.00 179.01 179.20 1vga h SER 19 N 0.49 0.42 -0.42 1.42 4.64 -1.84 -2.27 113.55 115.98 1vga h SER 19 Ca -0.06 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 1vga h SER 19 Cb 1.45 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 1vga h SER 19 CO 0.17 0.68 -0.22 0.40 -0.87 0.00 0.00 176.83 176.99 1vga h ILE 20 N 0.37 1.27 -0.25 0.95 1.08 -1.27 -0.61 117.51 119.05 1vga h ILE 20 Ca 0.05 -1.37 -0.00 0.00 -0.39 0.00 0.00 64.86 63.15 1vga h ILE 20 Cb 0.66 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1vga h ILE 20 CO 0.05 0.47 0.14 0.11 -0.69 0.00 0.00 178.15 178.23 1vga h LYS 21 N 0.80 0.35 -0.34 2.37 1.57 -1.11 0.95 116.57 121.16 1vga h LYS 21 Ca 0.11 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1vga h LYS 21 Cb 0.77 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1vga h LYS 21 CO 0.06 0.30 0.06 0.77 -0.57 0.00 0.00 179.45 180.07 1vga h SER 22 N 0.30 0.53 -0.16 0.86 0.02 -1.30 -2.15 113.55 111.65 1vga h SER 22 Ca 0.09 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1vga h SER 22 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1vga h SER 22 CO -0.02 0.65 0.02 0.25 -1.14 0.00 0.00 176.83 176.59 1vga h LEU 23 N 0.39 0.26 -1.33 5.07 5.85 -0.97 -2.47 115.31 122.10 1vga h LEU 23 Ca 0.10 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1vga h LEU 23 Cb 0.34 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1vga h LEU 23 CO 0.01 0.47 0.37 0.71 -0.34 0.00 0.00 178.44 179.66 1vga h THR 24 N 0.03 1.17 -0.78 1.05 1.35 -0.82 -0.67 112.91 114.25 1vga h THR 24 Ca 0.05 -0.38 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1vga h THR 24 Cb 0.33 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.03 1vga h THR 24 CO 0.00 0.18 0.42 0.78 -0.25 0.00 0.00 175.52 176.66 1vga h ASN 25 N 0.84 0.97 -0.35 5.36 2.35 -1.24 0.12 115.58 123.64 1vga h ASN 25 Ca 0.22 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1vga h ASN 25 Cb -0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1vga h ASN 25 CO -0.04 0.79 0.09 0.28 -1.65 0.00 0.00 177.43 176.90 1vga h SER 26 N 1.08 0.52 -0.59 5.81 0.02 -0.82 -2.80 113.55 116.77 1vga h SER 26 Ca 0.27 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1vga h SER 26 Cb 0.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1vga h SER 26 CO -0.04 0.61 0.35 -0.26 -1.14 0.00 0.00 176.83 176.35 1vga h PHE 27 N 0.40 0.79 -0.05 3.45 -1.00 -0.80 -2.38 116.94 117.35 1vga h PHE 27 Ca 0.11 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.90 1vga h PHE 27 Cb 0.29 -0.26 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1vga h PHE 27 CO 0.01 0.54 0.05 -0.91 -1.61 0.00 0.00 178.31 176.40 1vga h ASN 28 N 0.80 0.00 0.83 2.17 2.35 -0.58 -1.48 115.58 119.67 1vga h ASN 28 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1vga h ASN 28 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1vga h ASN 28 CO -0.04 0.00 0.00 0.78 -1.65 0.00 0.00 177.43 176.52 1vga h ASN 29 N 0.00 0.00 -3.18 5.81 -0.26 -1.17 -3.43 115.58 113.36 1vga h ASN 29 Ca 0.02 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.20 1vga h ASN 29 Cb 0.13 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.34 1vga h ASN 29 CO -0.00 0.00 0.65 -0.22 -1.06 0.00 0.00 177.43 176.80 1vga s LEU 30 N -5.97 4.21 -0.43 1.61 2.96 -0.56 -5.00 118.68 115.50 1vga s LEU 30 Ca 0.01 1.53 -0.20 0.00 -0.22 0.00 0.00 54.13 55.24 1vga s LEU 30 Cb 0.09 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.25 1vga s LEU 30 CO 0.50 -0.53 0.62 -0.62 -1.32 0.00 0.00 176.35 175.00 1vga s ASP 31 N 1.20 6.32 0.05 3.68 2.15 -1.26 -5.03 116.67 123.78 1vga s ASP 31 Ca 0.48 -0.31 -0.02 0.00 0.43 0.00 0.00 52.55 53.13 1vga s ASP 31 Cb -0.18 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 1vga s ASP 31 CO 0.15 -0.73 0.01 0.72 -0.17 0.00 0.00 175.17 175.15 1vga s PHE 32 N 2.74 0.39 -0.42 -5.34 -0.71 -1.26 -5.13 117.98 108.25 1vga s PHE 32 Ca 0.22 -0.85 -0.16 0.00 -1.04 0.00 0.00 56.93 55.10 1vga s PHE 32 Cb -0.14 -0.29 0.03 0.00 -1.21 0.00 0.00 43.02 41.40 1vga s PHE 32 CO 0.18 -0.36 0.39 0.34 -1.34 0.00 0.00 175.22 174.43 1vga s ASP 33 N -2.55 6.16 0.15 1.98 -1.08 -1.26 -4.95 116.67 115.12 1vga s ASP 33 Ca 0.01 -0.82 0.13 0.00 -0.52 0.00 0.00 52.55 51.35 1vga s ASP 33 Cb 0.03 -2.20 0.64 0.00 -1.46 0.00 0.00 42.92 39.93 1vga s ASP 33 CO -0.08 -0.55 1.40 -0.81 0.52 0.00 0.00 175.17 175.66 1vga n PRO 34 N 5.42 0.08 0.05 4.34 -0.04 -1.26 -1.06 135.00 142.54 1vga n PRO 34 Ca -0.09 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1vga n PRO 34 Cb 0.47 -1.71 0.30 0.00 -0.04 0.00 0.00 33.50 32.52 1vga n PRO 34 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1vga n SER 35 N -1.87 0.61 -0.03 3.54 3.41 -1.26 -3.86 113.62 114.16 1vga n SER 35 Ca 0.00 0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.86 1vga n SER 35 Cb 0.07 -0.15 -0.13 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 -1.98 0.84 -3.74 4.33 5.02 -0.22 -4.99 118.16 117.42 1vga n LYS 36 Ca 0.05 -0.10 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 1vga n LYS 36 Cb 0.41 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.92 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 -4.49 0.55 -0.14 -0.35 2.96 -0.95 -4.32 118.68 111.94 1vga s LEU 37 Ca -0.07 0.70 -0.17 0.00 -0.22 0.00 0.00 54.13 54.37 1vga s LEU 37 Cb 0.08 1.14 -0.04 0.00 0.50 0.00 0.00 46.19 47.87 1vga s LEU 37 CO 0.67 -0.14 0.43 -1.81 -1.32 0.00 0.00 176.35 174.18 1vga s ASP 38 N 0.50 6.59 -0.19 3.68 1.01 -0.59 -4.22 116.67 123.44 1vga s ASP 38 Ca -0.03 0.70 -0.00 0.00 0.71 0.00 0.00 52.55 53.93 1vga s ASP 38 Cb -0.04 -2.26 0.05 0.00 1.01 0.00 0.00 42.92 41.68 1vga s ASP 38 CO -0.03 -0.00 -0.04 -0.69 0.21 0.00 0.00 175.17 174.61 1vga s VAL 39 N 0.76 1.17 -0.09 -1.27 1.01 -1.26 -0.70 120.40 120.03 1vga s VAL 39 Ca 0.23 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1vga s VAL 39 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1vga s VAL 39 CO 0.08 0.03 -0.17 -0.69 0.00 0.00 0.00 175.10 174.36 1vga s VAL 40 N 1.59 2.75 -0.14 2.92 1.01 -0.65 -0.78 120.40 127.09 1vga s VAL 40 Ca -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1vga s VAL 40 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1vga s VAL 40 CO -0.07 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1vga s VAL 41 N -0.10 3.37 -0.60 2.92 1.01 -0.25 0.02 120.40 126.77 1vga s VAL 41 Ca -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1vga s VAL 41 Cb -0.14 -2.45 0.15 0.00 0.00 0.00 0.00 36.38 33.95 1vga s VAL 41 CO 0.04 0.51 0.40 -0.36 0.00 0.00 0.00 175.10 175.68 1vga s PHE 42 N 0.42 3.37 0.72 5.22 0.08 0.76 -2.01 117.98 126.54 1vga s PHE 42 Ca -0.08 -2.82 -0.06 0.00 0.12 0.00 0.00 56.93 54.09 1vga s PHE 42 Cb -0.15 -3.12 0.08 0.00 -0.57 0.00 0.00 43.02 39.27 1vga s PHE 42 CO 0.04 -0.82 1.03 -1.25 -0.10 0.00 0.00 175.22 174.12 1vga s PRO 43 N -0.10 1.99 0.54 0.24 0.04 -1.25 -2.47 135.00 134.00 1vga s PRO 43 Ca 0.17 -0.43 -0.21 0.00 0.04 0.00 0.00 61.00 60.57 1vga s PRO 43 Cb -0.21 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1vga s PRO 43 CO -0.03 -1.35 1.25 0.08 0.04 0.00 0.00 177.00 176.99 1vga s VAL 44 N -3.27 2.55 0.20 -0.36 1.01 -1.26 -4.37 120.40 114.91 1vga s VAL 44 Ca 0.62 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 1vga s VAL 44 Cb -0.09 -3.18 0.18 0.00 0.00 0.00 0.00 36.38 33.29 1vga s VAL 44 CO 0.45 -0.03 1.58 0.77 0.00 0.00 0.00 175.10 177.87 1vga h SER 45 N 1.37 -1.13 0.34 3.32 4.64 -1.95 0.25 113.55 120.39 1vga h SER 45 Ca -0.50 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1vga h SER 45 Cb 1.29 0.59 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 1vga h SER 45 CO 0.57 -0.29 0.00 1.33 -0.87 0.00 0.00 176.83 177.57 1vga n VAL 46 N -5.45 0.83 0.87 0.95 0.24 -1.26 -1.93 118.33 112.57 1vga n VAL 46 Ca 0.06 0.21 0.09 0.00 -2.04 0.00 0.00 64.34 62.66 1vga n VAL 46 Cb 0.37 -0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 31.70 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 -1.37 0.00 -0.03 6.34 -0.00 0.82 -4.67 115.22 116.32 1vga n HIS 47 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.69 1vga n HIS 47 Cb 0.13 0.00 -0.02 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 1.01 -0.44 0.03 4.41 5.03 -0.73 -0.35 116.97 125.92 1vga h TYR 48 Ca 0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.36 1vga h TYR 48 Cb 0.54 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 1vga h TYR 48 CO 0.00 -0.25 -0.14 0.22 -1.32 0.00 0.00 178.16 176.67 1vga h ASP 49 N -0.19 -0.41 -0.59 -2.11 3.58 -1.83 0.18 116.42 115.05 1vga h ASP 49 Ca 0.12 0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.70 1vga h ASP 49 Cb 0.36 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.52 1vga h ASP 49 CO -0.30 -0.20 0.26 -0.74 -2.88 0.00 0.00 179.24 175.37 1vga h HIS 50 N -0.25 0.45 -0.19 0.28 2.76 -1.82 -1.20 115.15 115.19 1vga h HIS 50 Ca 0.04 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 1vga h HIS 50 Cb 0.30 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 1vga h HIS 50 CO -0.18 0.16 -0.11 1.15 -1.30 0.00 0.00 177.93 177.65 1vga h THR 51 N 0.47 1.31 -0.88 6.26 2.02 -0.70 -1.88 112.91 119.51 1vga h THR 51 Ca 0.28 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.29 1vga h THR 51 Cb 0.29 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1vga h THR 51 CO -0.25 0.36 0.58 -0.09 0.37 0.00 0.00 175.52 176.49 1vga h ARG 52 N 0.09 1.15 -0.24 6.66 9.65 -0.41 -0.19 114.38 131.10 1vga h ARG 52 Ca 0.04 -0.07 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 1vga h ARG 52 Cb 0.60 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1vga h ARG 52 CO 0.03 0.76 -0.49 0.87 2.80 0.00 0.00 179.97 183.95 1vga h LYS 53 N 1.19 0.75 -0.28 0.20 1.57 -1.17 -3.28 116.57 115.55 1vga h LYS 53 Ca 0.32 -0.49 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1vga h LYS 53 Cb -0.13 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1vga h LYS 53 CO -0.07 1.11 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.46 1vga h LEU 54 N 0.48 0.69 -9.77 2.94 3.38 -0.98 -3.44 115.31 108.61 1vga h LEU 54 Ca 0.01 -0.31 -0.51 0.00 0.09 0.00 0.00 57.88 57.16 1vga h LEU 54 Cb 1.09 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1vga h LEU 54 CO 0.11 1.01 0.47 -0.76 0.09 0.00 0.00 178.44 179.35 1vga s LEU 55 N -8.61 4.55 0.75 1.67 1.43 -0.11 -4.85 118.68 113.51 1vga s LEU 55 Ca -0.08 2.21 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 1vga s LEU 55 Cb 0.12 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.77 1vga s LEU 55 CO 0.84 -0.14 1.12 -1.10 0.23 0.00 0.00 176.35 177.30 1vga s GLN 56 N -1.19 2.24 0.62 1.70 -0.21 -1.26 -4.90 119.66 116.66 1vga s GLN 56 Ca 0.45 1.38 0.33 0.00 0.02 0.00 0.00 55.36 57.54 1vga s GLN 56 Cb -0.31 -1.88 1.89 0.00 1.00 0.00 0.00 33.01 33.71 1vga s GLN 56 CO 0.39 -1.68 2.17 0.66 -2.12 0.00 0.00 175.29 174.71 1vga h SER 57 N -0.74 0.00 0.23 5.90 4.64 -1.95 -1.31 113.55 120.32 1vga h SER 57 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1vga h SER 57 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1vga h SER 57 CO 0.51 0.00 -0.08 0.07 -0.87 0.00 0.00 176.83 176.46 1vga h LYS 58 N 0.00 0.00 -6.29 4.77 2.10 -1.96 -3.41 116.57 111.78 1vga h LYS 58 Ca 0.04 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.14 1vga h LYS 58 Cb 0.31 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.60 1vga h LYS 58 CO -0.00 0.08 0.12 -0.06 -2.00 0.00 0.00 179.45 177.59 1vga s PHE 59 N -4.36 3.76 0.34 0.07 0.08 -0.50 -4.71 117.98 112.66 1vga s PHE 59 Ca -0.04 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.47 1vga s PHE 59 Cb 0.14 -2.75 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1vga s PHE 59 CO 0.57 0.35 0.52 -1.12 -0.10 0.00 0.00 175.22 175.43 1vga s SER 60 N -0.32 6.20 0.13 1.36 0.01 0.04 -4.90 113.70 116.22 1vga s SER 60 Ca 0.36 0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.89 1vga s SER 60 Cb -0.20 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1vga s SER 60 CO 0.22 -0.32 0.03 0.42 0.41 0.00 0.00 173.24 174.01 1vga s THR 61 N -2.26 0.25 0.19 1.44 -4.23 -1.26 -1.09 115.64 108.68 1vga s THR 61 Ca 0.40 -1.91 -0.17 0.00 -1.18 0.00 0.00 61.69 58.83 1vga s THR 61 Cb -0.09 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1vga s THR 61 CO 0.34 -0.54 0.84 0.61 -0.54 0.00 0.00 174.62 175.33 1vga n GLY 62 N -0.10 0.79 3.56 3.99 0.00 -0.85 -2.50 105.19 110.07 1vga n GLY 62 Ca -0.07 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.16 3.07 -1.34 -0.61 -4.36 -0.41 -3.80 121.20 111.58 1vga s ILE 63 Ca 0.18 -1.89 0.25 0.00 -0.26 0.00 0.00 60.65 58.93 1vga s ILE 63 Cb -0.03 -2.57 0.39 0.00 1.25 0.00 0.00 42.46 41.51 1vga s ILE 63 CO 0.06 -0.23 1.82 0.00 0.24 0.00 0.00 174.94 176.83 1vga n GLN 64 N -0.31 0.28 -3.51 0.37 6.02 -1.26 -1.39 117.38 117.58 1vga n GLN 64 Ca -0.09 0.06 -0.08 0.00 -0.01 0.00 0.00 57.00 56.88 1vga n GLN 64 Cb 0.57 -1.50 -0.02 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 -2.66 -0.36 0.08 1.08 2.47 -1.24 -4.39 114.94 109.93 1vga s ASN 65 Ca 0.21 0.02 -0.11 0.00 0.42 0.00 0.00 52.86 53.39 1vga s ASN 65 Cb 0.17 0.38 0.01 0.00 -1.45 0.00 0.00 41.25 40.35 1vga s ASN 65 CO 0.39 -0.60 0.26 0.54 -3.72 0.00 0.00 177.10 173.97 1vga s VAL 66 N -3.03 0.11 0.36 -5.21 0.11 -1.26 -4.82 120.40 106.66 1vga s VAL 66 Ca 0.05 -0.92 -0.14 0.00 -2.93 0.00 0.00 61.98 58.04 1vga s VAL 66 Cb -0.01 -1.19 -0.08 0.00 -1.53 0.00 0.00 36.38 33.57 1vga s VAL 66 CO -0.09 -0.51 0.77 -0.55 -3.33 0.00 0.00 175.10 171.40 1vga s SER 67 N -2.63 6.69 0.13 3.54 0.15 0.08 -4.95 113.70 116.71 1vga s SER 67 Ca 0.02 1.27 0.23 0.00 0.70 0.00 0.00 55.95 58.16 1vga s SER 67 Cb 0.03 -2.37 0.04 0.00 -1.71 0.00 0.00 66.02 62.00 1vga s SER 67 CO -0.09 -0.29 1.03 2.29 1.20 0.00 0.00 173.24 177.38 1vga n LYS 68 N -0.74 0.48 -3.28 5.44 2.85 -1.26 -4.44 118.16 117.21 1vga n LYS 68 Ca 0.03 0.05 -0.32 0.00 -1.05 0.00 0.00 58.31 57.03 1vga n LYS 68 Cb 0.53 -1.72 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 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 -3.31 3.41 0.00 5.58 0.08 -1.26 -4.81 117.98 117.67 1vga s PHE 69 Ca 0.01 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1vga s PHE 69 Cb 0.12 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1vga s PHE 69 CO 0.79 0.18 0.00 0.41 -0.10 0.00 0.00 175.22 176.50 1vga n GLY 70 N -0.34 1.13 3.77 4.36 0.00 -1.26 -4.61 105.19 108.25 1vga n GLY 70 Ca 0.02 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 5.58 0.00 1.61 0.02 -1.26 -4.75 114.94 115.14 1vga s ASN 71 Ca 0.00 2.14 0.00 0.00 -1.02 0.00 0.00 52.86 53.98 1vga s ASN 71 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.70 1vga s ASN 71 CO 0.00 -1.31 0.00 0.61 0.02 0.00 0.00 177.10 176.42 1vga n GLY 72 N 0.02 0.53 2.88 0.66 0.00 -1.26 -4.98 105.19 103.03 1vga n GLY 72 Ca 0.11 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 3.82 -3.30 1.61 7.64 -1.26 -4.69 113.62 117.44 1vga n SER 73 Ca 0.00 -2.83 -0.25 0.00 1.01 0.00 0.00 58.87 56.80 1vga n SER 73 Cb 0.00 -1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 61.51 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 6.63 0.45 -1.60 1.43 4.01 -1.26 -5.11 117.16 121.71 1vga n TYR 74 Ca 0.51 -3.66 -0.50 0.00 -0.16 0.00 0.00 57.90 54.09 1vga n TYR 74 Cb 0.40 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.58 0.18 -0.25 -0.72 -1.04 -1.26 -1.75 114.28 111.02 1vga n THR 75 Ca 0.24 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1vga n THR 75 Cb 0.49 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 2.56 1.67 3.94 3.41 0.00 -1.26 -5.04 105.19 110.47 1vga n GLY 76 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.30 3.49 -0.23 1.61 0.41 -0.72 -5.09 118.70 117.88 1vga s GLU 77 Ca 0.00 -0.46 0.01 0.00 -0.41 0.00 0.00 54.97 54.11 1vga s GLU 77 Cb 0.00 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.55 1vga s GLU 77 CO 0.00 0.38 -0.12 0.08 -0.49 0.00 0.00 175.26 175.11 1vga s VAL 78 N -1.95 2.39 0.61 2.63 1.01 -1.26 -5.01 120.40 118.82 1vga s VAL 78 Ca 0.37 -1.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1vga s VAL 78 Cb -0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1vga s VAL 78 CO 0.30 0.25 1.04 -0.94 0.00 0.00 0.00 175.10 175.74 1vga s SER 79 N 1.25 5.95 0.37 3.32 1.04 -1.26 -0.74 113.70 123.63 1vga s SER 79 Ca -0.01 1.61 0.10 0.00 0.48 0.00 0.00 55.95 58.13 1vga s SER 79 Cb -0.16 -2.50 0.73 0.00 0.10 0.00 0.00 66.02 64.19 1vga s SER 79 CO -0.07 -1.05 1.87 0.00 0.98 0.00 0.00 173.24 174.97 1vga h ALA 80 N 0.03 1.44 -0.59 5.32 0.00 -1.81 -1.83 119.26 121.81 1vga h ALA 80 Ca -0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1vga h ALA 80 Cb 1.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1vga h ALA 80 CO 0.59 0.40 0.32 0.93 0.00 0.00 0.00 179.25 181.49 1vga h GLU 81 N 0.18 0.83 -0.57 0.00 3.07 -1.92 0.10 114.58 116.26 1vga h GLU 81 Ca 0.03 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 1vga h GLU 81 Cb 0.48 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1vga h GLU 81 CO 0.03 0.64 0.05 0.82 -1.40 0.00 0.00 179.01 179.15 1vga h ILE 82 N 0.80 1.26 -0.76 3.13 2.04 -1.78 -1.67 117.51 120.53 1vga h ILE 82 Ca 0.21 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 1vga h ILE 82 Cb 0.05 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1vga h ILE 82 CO -0.03 0.38 0.41 0.00 0.00 0.00 0.00 178.15 178.91 1vga h ALA 83 N 0.99 0.98 -0.65 1.87 0.00 -1.00 -2.43 119.26 119.01 1vga h ALA 83 Ca 0.17 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1vga h ALA 83 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1vga h ALA 83 CO 0.02 0.50 0.11 -0.22 0.00 0.00 0.00 179.25 179.66 1vga h LYS 84 N 1.06 1.07 0.00 0.00 3.64 -0.73 -0.29 116.57 121.33 1vga h LYS 84 Ca 0.27 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1vga h LYS 84 Cb 0.04 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1vga h LYS 84 CO -0.04 0.98 -0.15 0.22 -2.27 0.00 0.00 179.45 178.18 1vga h ASP 85 N 1.01 0.00 -0.17 4.20 3.58 -0.94 -1.28 116.42 122.82 1vga h ASP 85 Ca 0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1vga h ASP 85 Cb 0.43 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1vga h ASP 85 CO 0.01 0.15 0.00 0.18 -2.88 0.00 0.00 179.24 176.70 1vga n LEU 86 N -3.75 2.61 -3.29 2.28 4.77 -0.95 -4.95 117.00 113.73 1vga n LEU 86 Ca -0.02 -1.01 -0.24 0.00 -0.03 0.00 0.00 56.01 54.72 1vga n LEU 86 Cb 0.26 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1vga n LEU 86 CO 0.32 0.51 0.08 0.59 -1.33 0.00 0.00 177.39 177.56 1vga n ASN 87 N 0.98 -5.98 -4.65 -1.43 5.03 -0.48 -4.93 115.26 103.80 1vga n ASN 87 Ca 0.17 -0.41 -0.43 0.00 0.87 0.00 0.00 54.58 54.78 1vga n ASN 87 Cb 0.50 -4.79 -0.02 0.00 -1.02 0.00 0.00 39.78 34.45 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 -3.22 4.45 0.03 2.41 1.01 -0.18 -4.94 121.20 120.77 1vga s ILE 88 Ca 0.43 1.71 -0.18 0.00 0.00 0.00 0.00 60.65 62.60 1vga s ILE 88 Cb -0.19 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 37.81 1vga s ILE 88 CO 0.53 -0.33 1.18 -0.08 0.00 0.00 0.00 174.94 176.24 1vga h GLU 89 N 8.13 0.50 -6.28 2.79 4.81 -1.87 -3.42 114.58 119.24 1vga h GLU 89 Ca -0.22 -0.46 -0.61 0.00 -0.13 0.00 0.00 59.36 57.94 1vga h GLU 89 Cb 1.07 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.41 1vga h GLU 89 CO 1.01 1.09 -0.78 0.71 -0.73 0.00 0.00 179.01 180.31 1vga s TYR 90 N -3.49 2.26 0.00 0.92 2.02 -1.04 -1.19 117.35 116.83 1vga s TYR 90 Ca -0.13 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.21 1vga s TYR 90 Cb 0.05 -1.02 -0.01 0.00 -0.40 0.00 0.00 41.96 40.58 1vga s TYR 90 CO 0.83 0.64 0.01 0.14 -1.57 0.00 0.00 175.55 175.60 1vga s VAL 91 N -2.30 0.05 -0.13 0.71 -7.23 -0.64 -1.29 120.40 109.58 1vga s VAL 91 Ca 0.27 -0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 59.94 1vga s VAL 91 Cb -0.06 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 1vga s VAL 91 CO 0.13 -0.23 0.18 -0.63 -0.31 0.00 0.00 175.10 174.24 1vga s ILE 92 N -0.67 5.42 -0.03 -0.62 1.01 -0.48 -0.88 121.20 124.95 1vga s ILE 92 Ca -0.07 0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.90 1vga s ILE 92 Cb -0.05 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1vga s ILE 92 CO -0.00 0.56 -0.10 -0.63 0.00 0.00 0.00 174.94 174.77 1vga s ILE 93 N -0.65 0.85 -0.46 2.92 -1.09 0.07 -3.65 121.20 119.19 1vga s ILE 93 Ca 0.15 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1vga s ILE 93 Cb -0.12 -0.75 0.00 0.00 -1.58 0.00 0.00 42.46 40.01 1vga s ILE 93 CO 0.04 0.26 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1vga n GLY 94 N 3.26 0.71 3.66 6.18 0.00 -1.26 -0.51 105.19 117.23 1vga n GLY 94 Ca -0.18 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.82 1.99 0.19 1.61 -0.00 -1.26 -4.37 115.22 110.57 1vga n HIS 95 Ca -0.04 0.55 0.18 0.00 -0.00 0.00 0.00 57.72 58.41 1vga n HIS 95 Cb 0.17 -2.39 0.80 0.00 -0.00 0.00 0.00 29.99 28.57 1vga n HIS 95 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1vga h PHE 96 N 3.05 0.00 0.00 1.57 -0.00 -1.94 0.14 116.94 119.76 1vga h PHE 96 Ca -0.44 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.44 1vga h PHE 96 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.23 1vga h PHE 96 CO 0.52 0.00 -0.44 0.93 -0.00 0.00 0.00 178.31 179.32 1vga h GLU 97 N 0.00 0.00 0.00 6.09 5.08 -1.98 0.17 114.58 123.94 1vga h GLU 97 Ca 0.11 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.26 1vga h GLU 97 Cb 0.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1vga h GLU 97 CO -0.00 0.44 -1.22 0.00 -1.00 0.00 0.00 179.01 177.23 1vga h ARG 98 N 0.00 0.00 -0.05 2.33 3.08 -1.31 -0.65 114.38 117.77 1vga h ARG 98 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1vga h ARG 98 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1vga h ARG 98 CO 0.06 0.62 -0.69 0.00 -1.07 0.00 0.00 179.97 178.88 1vga h ARG 99 N 0.00 0.25 0.00 0.04 3.08 -1.25 -1.58 114.38 114.92 1vga h ARG 99 Ca -0.12 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1vga h ARG 99 Cb 1.74 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.83 1vga h ARG 99 CO 0.09 0.84 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.59 1vga h LYS 100 N 0.17 0.00 0.00 0.04 3.64 -0.66 -3.32 116.57 116.44 1vga h LYS 100 Ca -0.02 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1vga h LYS 100 Cb 1.24 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1vga h LYS 100 CO 0.11 0.87 -1.59 0.66 -2.27 0.00 0.00 179.45 177.23 1vga n TYR 101 N -4.63 0.88 -1.53 1.91 4.01 -0.26 -4.50 117.16 113.04 1vga n TYR 101 Ca -0.09 0.30 0.05 0.00 -0.16 0.00 0.00 57.90 58.00 1vga n TYR 101 Cb 0.42 -1.09 0.20 0.00 -0.31 0.00 0.00 39.34 38.57 1vga n TYR 101 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1vga n PHE 102 N -2.90 0.15 -2.67 -0.72 3.72 -0.70 -4.99 117.46 109.35 1vga n PHE 102 Ca -0.13 -1.47 -0.12 0.00 -0.05 0.00 0.00 57.45 55.68 1vga n PHE 102 Cb 0.92 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.63 -2.15 1.38 8.25 -1.14 -4.88 115.22 113.91 1vga n HIS 103 Ca 0.21 0.10 -0.42 0.00 -0.26 0.00 0.00 57.72 57.35 1vga n HIS 103 Cb 0.73 -2.35 -0.03 0.00 1.12 0.00 0.00 29.99 29.46 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 -5.25 4.30 0.47 -0.41 2.12 -0.68 -4.97 118.70 114.27 1vga s GLU 104 Ca 0.09 2.09 0.08 0.00 0.36 0.00 0.00 54.97 57.59 1vga s GLU 104 Cb -0.05 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 31.02 1vga s GLU 104 CO 0.11 -0.50 0.47 0.95 -0.54 0.00 0.00 175.26 175.76 1vga s THR 105 N 1.48 2.42 0.35 -1.70 -4.23 -1.26 -4.43 115.64 108.27 1vga s THR 105 Ca 0.65 -1.27 0.09 0.00 -1.18 0.00 0.00 61.69 59.98 1vga s THR 105 Cb -0.36 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 70.90 1vga s THR 105 CO 0.30 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.66 1vga h ASP 106 N 0.78 0.23 -0.52 3.99 3.32 -1.98 -0.96 116.42 121.28 1vga h ASP 106 Ca -0.38 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 1vga h ASP 106 Cb 1.28 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1vga h ASP 106 CO 0.53 0.47 0.03 -0.08 -1.72 0.00 0.00 179.24 178.47 1vga h GLU 107 N 0.22 0.90 -0.56 3.56 4.57 -1.95 -0.46 114.58 120.86 1vga h GLU 107 Ca 0.04 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1vga h GLU 107 Cb 0.53 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1vga h GLU 107 CO 0.04 0.91 0.34 -0.44 -1.18 0.00 0.00 179.01 178.67 1vga h ASP 108 N 0.78 0.66 -0.43 1.04 3.32 -1.76 -0.97 116.42 119.07 1vga h ASP 108 Ca 0.15 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1vga h ASP 108 Cb 0.48 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1vga h ASP 108 CO 0.02 0.52 0.28 0.58 -1.72 0.00 0.00 179.24 178.93 1vga h VAL 109 N 0.75 1.11 -0.03 -1.35 2.07 -0.88 0.34 116.25 118.26 1vga h VAL 109 Ca 0.20 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1vga h VAL 109 Cb -0.02 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1vga h VAL 109 CO -0.04 0.11 0.02 -0.09 0.02 0.00 0.00 177.57 177.59 1vga h ARG 110 N 0.58 0.05 -0.12 1.57 2.43 -0.73 -0.78 114.38 117.36 1vga h ARG 110 Ca 0.16 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1vga h ARG 110 Cb -0.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1vga h ARG 110 CO -0.03 0.06 -0.32 0.93 -1.51 0.00 0.00 179.97 179.09 1vga h GLU 111 N 0.02 0.24 -0.20 0.20 5.08 -1.00 -1.49 114.58 117.43 1vga h GLU 111 Ca 0.01 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 1vga h GLU 111 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1vga h GLU 111 CO -0.00 0.54 -0.55 0.87 -1.00 0.00 0.00 179.01 178.87 1vga h LYS 112 N 0.21 0.60 -0.36 2.33 1.57 -0.73 -2.00 116.57 118.19 1vga h LYS 112 Ca 0.03 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1vga h LYS 112 Cb 0.67 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1vga h LYS 112 CO 0.05 0.99 -0.09 1.25 -0.57 0.00 0.00 179.45 181.08 1vga h LEU 113 N 0.46 0.70 -0.34 2.94 7.12 -0.79 -1.38 115.31 124.03 1vga h LEU 113 Ca 0.01 -0.36 0.00 0.00 0.13 0.00 0.00 57.88 57.66 1vga h LEU 113 Cb 1.10 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 41.02 1vga h LEU 113 CO 0.11 0.90 0.22 -0.61 -0.13 0.00 0.00 178.44 178.93 1vga h GLN 114 N 0.49 0.44 -0.92 1.25 4.15 -1.21 -0.08 115.11 119.23 1vga h GLN 114 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1vga h GLN 114 Cb 0.60 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 1vga h GLN 114 CO 0.04 0.30 0.53 0.00 -1.93 0.00 0.00 178.83 177.77 1vga h ALA 115 N 1.12 1.20 0.20 3.38 0.00 -1.29 -0.72 119.26 123.14 1vga h ALA 115 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vga h ALA 115 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1vga h ALA 115 CO -0.03 0.66 -0.09 0.77 0.00 0.00 0.00 179.25 180.56 1vga h SER 116 N 1.28 -0.22 -0.87 0.00 0.02 -0.77 -2.58 113.55 110.41 1vga h SER 116 Ca 0.33 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1vga h SER 116 Cb -0.02 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1vga h SER 116 CO -0.06 0.03 0.57 -0.07 -1.14 0.00 0.00 176.83 176.17 1vga h LEU 117 N -0.48 1.00 -2.05 5.07 4.07 -0.88 -0.41 115.31 121.62 1vga h LEU 117 Ca -0.03 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1vga h LEU 117 Cb 0.37 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 1vga h LEU 117 CO 0.04 0.73 -0.08 0.50 -1.08 0.00 0.00 178.44 178.56 1vga h LYS 118 N 1.18 0.00 -0.52 1.13 3.64 -1.04 -2.25 116.57 118.71 1vga h LYS 118 Ca 0.32 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1vga h LYS 118 Cb -0.13 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.60 1vga h LYS 118 CO -0.07 0.08 0.13 0.09 -2.27 0.00 0.00 179.45 177.41 1vga n ASN 119 N -3.97 4.04 -2.66 4.20 3.02 -0.44 -4.95 115.26 114.49 1vga n ASN 119 Ca -0.02 -3.29 -0.21 0.00 -0.03 0.00 0.00 54.58 51.02 1vga n ASN 119 Cb 0.17 -0.67 0.01 0.00 -0.61 0.00 0.00 39.78 38.68 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 -0.50 -5.82 -4.90 6.41 4.13 -0.85 -4.70 115.26 109.04 1vga n ASN 120 Ca 0.34 -0.11 -0.32 0.00 1.68 0.00 0.00 54.58 56.17 1vga n ASN 120 Cb 1.18 -4.79 -0.05 0.00 -1.54 0.00 0.00 39.78 34.58 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 -6.27 4.32 -0.05 3.41 1.43 -0.29 -5.01 118.68 116.21 1vga s LEU 121 Ca 0.12 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.62 1vga s LEU 121 Cb -0.06 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 1vga s LEU 121 CO 0.15 0.13 0.30 -0.54 0.23 0.00 0.00 176.35 176.62 1vga s LYS 122 N -2.39 3.75 -0.08 1.70 1.02 -0.33 -4.17 119.74 119.24 1vga s LYS 122 Ca 0.36 0.19 0.04 0.00 0.02 0.00 0.00 55.97 56.58 1vga s LYS 122 Cb -0.13 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1vga s LYS 122 CO 0.23 0.70 -0.20 0.00 -0.92 0.00 0.00 175.35 175.16 1vga s ALA 123 N -0.98 2.37 -0.49 5.17 0.00 -0.41 -1.61 121.76 125.80 1vga s ALA 123 Ca 0.20 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1vga s ALA 123 Cb -0.15 -0.87 0.12 0.00 0.00 0.00 0.00 23.12 22.23 1vga s ALA 123 CO 0.09 0.40 0.38 0.08 0.00 0.00 0.00 175.76 176.71 1vga s VAL 124 N -0.12 4.46 -0.27 0.00 1.01 -0.05 -0.22 120.40 125.20 1vga s VAL 124 Ca -0.04 -1.69 -0.12 0.00 0.00 0.00 0.00 61.98 60.13 1vga s VAL 124 Cb -0.14 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1vga s VAL 124 CO 0.04 -0.78 0.24 -0.69 0.00 0.00 0.00 175.10 173.91 1vga s VAL 125 N 1.42 5.28 0.12 2.92 1.01 0.10 -0.75 120.40 130.50 1vga s VAL 125 Ca 0.05 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1vga s VAL 125 Cb -0.27 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1vga s VAL 125 CO 0.00 0.23 0.21 0.00 0.00 0.00 0.00 175.10 175.55 1vga s PHE 127 N -1.64 -0.08 0.00 0.00 -0.12 -0.87 -4.58 117.98 110.70 1vga s PHE 127 Ca 0.33 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1vga s PHE 127 Cb -0.12 0.69 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1vga s PHE 127 CO 0.27 -1.01 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 1vga n GLY 128 N -0.51 3.52 3.87 1.99 0.00 -1.26 -0.65 105.19 112.15 1vga n GLY 128 Ca -0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 3.80 0.66 1.61 1.03 -1.26 -4.88 118.70 117.66 1vga s GLU 129 Ca 0.00 0.49 -0.06 0.00 0.03 0.00 0.00 54.97 55.43 1vga s GLU 129 Cb 0.00 -2.39 0.04 0.00 -0.80 0.00 0.00 34.13 30.98 1vga s GLU 129 CO 0.00 -0.03 0.97 -1.54 -1.33 0.00 0.00 175.26 173.34 1vga s SER 130 N -3.09 5.10 0.18 0.83 1.04 -1.26 -3.34 113.70 113.17 1vga s SER 130 Ca 0.52 0.54 -0.13 0.00 0.48 0.00 0.00 55.95 57.36 1vga s SER 130 Cb -0.10 -1.32 0.13 0.00 0.10 0.00 0.00 66.02 64.83 1vga s SER 130 CO 0.30 -1.40 1.80 0.25 0.98 0.00 0.00 173.24 175.17 1vga h LEU 131 N -0.44 0.45 -0.66 2.42 5.85 -1.95 -1.08 115.31 119.90 1vga h LEU 131 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1vga h LEU 131 Cb 1.29 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1vga h LEU 131 CO 0.60 0.31 0.42 -0.08 -0.34 0.00 0.00 178.44 179.35 1vga h GLU 132 N 0.57 0.88 -0.22 1.25 4.81 -1.99 -0.96 114.58 118.93 1vga h GLU 132 Ca 0.23 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1vga h GLU 132 Cb 0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1vga h GLU 132 CO -0.13 0.61 -0.15 1.96 -0.73 0.00 0.00 179.01 180.57 1vga h GLN 133 N 0.90 0.37 -0.03 1.92 4.20 -1.82 -2.05 115.11 118.60 1vga h GLN 133 Ca 0.24 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1vga h GLN 133 Cb -0.06 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1vga h GLN 133 CO -0.05 0.52 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.49 1vga h ARG 134 N 0.34 0.07 0.00 1.46 2.43 -0.56 -0.72 114.38 117.41 1vga h ARG 134 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1vga h ARG 134 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1vga h ARG 134 CO 0.03 0.61 0.00 -0.85 -1.51 0.00 0.00 179.97 178.25 1vga n GLU 135 N -4.76 0.09 -0.18 0.20 0.28 -0.43 -0.66 120.64 115.19 1vga n GLU 135 Ca -0.08 0.40 0.11 0.00 -0.16 0.00 0.00 57.16 57.43 1vga n GLU 135 Cb 0.31 -1.71 0.27 0.00 1.43 0.00 0.00 31.44 31.74 1vga n GLU 135 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1vga n GLN 136 N -1.89 2.21 -3.34 3.44 6.02 -0.78 -4.95 117.38 118.10 1vga n GLN 136 Ca 0.02 -1.84 -0.23 0.00 -0.01 0.00 0.00 57.00 54.93 1vga n GLN 136 Cb 0.15 -1.46 0.06 0.00 1.02 0.00 0.00 30.24 30.02 1vga n GLN 136 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1vga n ASN 137 N 1.04 -6.29 -0.59 1.08 3.02 0.16 -4.91 115.26 108.76 1vga n ASN 137 Ca 0.18 -0.43 0.06 0.00 -0.03 0.00 0.00 54.58 54.37 1vga n ASN 137 Cb 0.49 -5.00 0.18 0.00 -0.61 0.00 0.00 39.78 34.83 1vga n ASN 137 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vga n LYS 138 N -4.57 1.37 0.19 3.52 5.02 -0.29 -4.82 118.16 118.57 1vga n LYS 138 Ca -0.05 -3.03 -0.14 0.00 -2.02 0.00 0.00 58.31 53.07 1vga n LYS 138 Cb 0.59 -1.43 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 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 1.49 0.48 -0.24 -0.18 2.02 -1.85 -0.26 112.91 114.37 1vga h THR 139 Ca -0.02 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.04 1vga h THR 139 Cb 1.09 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1vga h THR 139 CO 0.01 0.00 -0.35 0.40 0.37 0.00 0.00 175.52 175.94 1vga h ILE 140 N -0.55 1.29 -0.19 3.11 1.08 -1.95 -0.96 117.51 119.34 1vga h ILE 140 Ca -0.02 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1vga h ILE 140 Cb 0.49 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.73 1vga h ILE 140 CO -0.02 0.47 0.12 -0.08 -0.69 0.00 0.00 178.15 177.94 1vga h GLU 141 N 0.44 0.25 -0.18 2.37 4.81 -1.85 0.13 114.58 120.54 1vga h GLU 141 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1vga h GLU 141 Cb 0.83 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1vga h GLU 141 CO 0.07 0.17 0.06 0.28 -0.73 0.00 0.00 179.01 178.86 1vga h VAL 142 N 0.25 1.19 -0.83 0.32 2.07 -0.89 -2.65 116.25 115.71 1vga h VAL 142 Ca 0.07 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1vga h VAL 142 Cb -0.02 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1vga h VAL 142 CO -0.01 0.18 0.52 0.40 0.02 0.00 0.00 177.57 178.68 1vga h ILE 143 N 0.11 1.22 -0.23 4.57 1.08 -1.04 -1.46 117.51 121.76 1vga h ILE 143 Ca 0.06 -0.46 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1vga h ILE 143 Cb 0.23 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.01 1vga h ILE 143 CO -0.00 0.23 0.15 0.74 -0.69 0.00 0.00 178.15 178.58 1vga h THR 144 N 1.13 1.05 -0.53 -0.27 2.02 -0.90 0.02 112.91 115.44 1vga h THR 144 Ca 0.30 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1vga h THR 144 Cb -0.08 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1vga h THR 144 CO -0.06 0.06 0.30 0.50 0.37 0.00 0.00 175.52 176.69 1vga h LYS 145 N 0.31 0.72 -0.61 6.66 3.64 -1.21 0.81 116.57 126.91 1vga h LYS 145 Ca 0.09 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1vga h LYS 145 Cb -0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1vga h LYS 145 CO -0.02 0.54 0.04 1.96 -2.27 0.00 0.00 179.45 179.70 1vga h GLN 146 N 0.70 1.03 -0.14 1.90 4.20 -0.98 -2.39 115.11 119.44 1vga h GLN 146 Ca 0.19 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.46 1vga h GLN 146 Cb 0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1vga h GLN 146 CO -0.03 0.98 -0.46 0.28 -0.67 0.00 0.00 178.83 178.93 1vga h VAL 147 N 0.95 1.35 0.00 -0.54 2.07 -0.82 -3.11 116.25 116.16 1vga h VAL 147 Ca 0.18 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1vga h VAL 147 Cb 0.49 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1vga h VAL 147 CO 0.02 0.53 0.00 0.29 0.02 0.00 0.00 177.57 178.43 1vga n LYS 148 N -4.25 0.08 0.22 1.57 5.02 0.26 -0.75 118.16 120.32 1vga n LYS 148 Ca -0.07 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 1vga n LYS 148 Cb 0.57 -1.50 0.44 0.00 -0.02 0.00 0.00 35.03 34.52 1vga n LYS 148 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vga h ALA 149 N 2.46 1.00 0.00 7.82 0.00 -1.35 -3.39 119.26 125.79 1vga h ALA 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vga h ALA 149 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vga h ALA 149 CO 0.00 0.00 -0.03 1.97 0.00 0.00 0.00 179.25 181.19 1vga n PHE 150 N -2.91 0.00 -0.26 0.00 1.16 -0.84 -4.60 117.46 110.01 1vga n PHE 150 Ca 0.03 0.00 0.29 0.00 -1.87 0.00 0.00 57.45 55.90 1vga n PHE 150 Cb 0.39 0.00 0.67 0.00 -1.61 0.00 0.00 39.48 38.94 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 0.50 0.00 1.97 3.04 -1.14 0.12 116.25 120.75 1vga h VAL 151 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1vga h VAL 151 Cb 0.00 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1vga h VAL 151 CO 0.00 0.02 0.00 -0.90 -1.01 0.00 0.00 177.57 175.68 1vga n ASP 152 N -4.33 0.19 0.18 3.17 5.75 -1.26 -2.54 116.55 117.71 1vga n ASP 152 Ca 0.22 0.55 0.12 0.00 -0.01 0.00 0.00 54.79 55.67 1vga n ASP 152 Cb 1.03 -0.59 0.13 0.00 -1.03 0.00 0.00 41.12 40.66 1vga n ASP 152 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1vga h LEU 153 N 0.00 0.00 -9.26 -2.12 3.38 -1.35 -3.45 115.31 102.50 1vga h LEU 153 Ca 0.00 -0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1vga h LEU 153 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1vga h LEU 153 CO 0.00 0.00 1.14 -0.63 0.09 0.00 0.00 178.44 179.04 1vga s ILE 154 N -3.25 3.43 -0.18 1.22 -1.09 -1.05 -4.87 121.20 115.41 1vga s ILE 154 Ca 0.05 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 59.03 1vga s ILE 154 Cb 0.07 -3.35 -0.14 0.00 -1.58 0.00 0.00 42.46 37.47 1vga s ILE 154 CO 0.70 -0.06 -0.11 -0.90 -1.23 0.00 0.00 174.94 173.35 1vga n ASP 155 N 7.48 2.23 -4.13 3.58 5.68 -1.26 -4.88 116.55 125.24 1vga n ASP 155 Ca 0.18 -0.07 -0.33 0.00 -0.50 0.00 0.00 54.79 54.07 1vga n ASP 155 Cb 0.43 0.02 -0.15 0.00 -1.14 0.00 0.00 41.12 40.28 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 -5.53 4.33 0.00 -1.12 3.84 -1.26 -5.00 114.94 110.19 1vga s ASN 156 Ca -0.20 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.73 1vga s ASN 156 Cb 0.06 -1.60 0.00 0.00 -0.55 0.00 0.00 41.25 39.16 1vga s ASN 156 CO 0.48 -0.16 0.79 0.49 -2.79 0.00 0.00 177.10 175.91 1vga n PHE 157 N 4.56 0.00 -0.03 0.43 3.01 -1.26 -1.98 117.46 122.19 1vga n PHE 157 Ca -0.15 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.36 1vga n PHE 157 Cb 0.45 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.75 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 -0.50 0.10 -0.20 4.37 8.00 -1.26 -3.88 116.55 123.18 1vga n ASP 158 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1vga n ASP 158 Cb 0.00 1.73 0.37 0.00 -0.02 0.00 0.00 41.12 43.20 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 -2.37 0.90 -4.08 -2.24 5.03 -0.84 -4.80 115.26 106.87 1vga n ASN 159 Ca -0.11 -0.76 -0.27 0.00 0.87 0.00 0.00 54.58 54.31 1vga n ASN 159 Cb 0.71 0.14 -0.17 0.00 -1.02 0.00 0.00 39.78 39.44 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 -2.58 1.40 -0.13 2.41 1.01 -1.25 -1.29 120.40 119.98 1vga s VAL 160 Ca 0.22 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1vga s VAL 160 Cb 0.19 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1vga s VAL 160 CO 0.54 0.41 -0.22 -0.63 0.00 0.00 0.00 175.10 175.21 1vga s ILE 161 N 0.61 2.10 0.23 2.22 1.09 0.69 -4.42 121.20 123.71 1vga s ILE 161 Ca -0.15 -0.98 -0.13 0.00 -1.10 0.00 0.00 60.65 58.29 1vga s ILE 161 Cb -0.16 -1.82 -0.08 0.00 -1.06 0.00 0.00 42.46 39.34 1vga s ILE 161 CO 0.05 0.55 0.61 -0.76 -0.10 0.00 0.00 174.94 175.29 1vga s LEU 162 N 0.63 4.20 -0.12 2.97 1.43 -0.31 -0.72 118.68 126.77 1vga s LEU 162 Ca -0.11 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1vga s LEU 162 Cb -0.16 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.43 1vga s LEU 162 CO 0.02 -0.05 -0.01 -0.69 0.23 0.00 0.00 176.35 175.85 1vga s VAL 163 N -1.74 0.64 -0.19 -1.59 1.01 -0.21 0.40 120.40 118.72 1vga s VAL 163 Ca 0.46 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1vga s VAL 163 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1vga s VAL 163 CO 0.20 0.17 0.57 -0.47 0.00 0.00 0.00 175.10 175.57 1vga s TYR 164 N 1.85 3.39 -0.35 5.22 5.04 -0.45 -2.05 117.35 130.00 1vga s TYR 164 Ca 0.03 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 1vga s TYR 164 Cb -0.14 -2.72 0.09 0.00 0.35 0.00 0.00 41.96 39.54 1vga s TYR 164 CO -0.07 -0.11 0.08 -1.21 -1.34 0.00 0.00 175.55 172.90 1vga s GLU 165 N 1.67 1.94 -1.16 4.97 2.02 0.17 0.31 118.70 128.63 1vga s GLU 165 Ca 0.26 -1.67 -0.21 0.00 0.02 0.00 0.00 54.97 53.37 1vga s GLU 165 Cb -0.16 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.80 1vga s GLU 165 CO 0.10 -0.88 1.71 -1.25 0.02 0.00 0.00 175.26 174.97 1vga s PRO 166 N 1.08 3.48 0.39 0.39 0.04 -1.26 -4.13 135.00 134.99 1vga s PRO 166 Ca 0.04 -1.45 0.19 0.00 0.04 0.00 0.00 61.00 59.83 1vga s PRO 166 Cb -0.21 -5.39 1.15 0.00 0.04 0.00 0.00 34.50 30.09 1vga s PRO 166 CO -0.05 -2.65 1.72 -0.07 0.04 0.00 0.00 177.00 175.99 1vga h LEU 167 N 14.04 0.44 -2.33 -3.56 3.38 -1.89 0.14 115.31 125.53 1vga h LEU 167 Ca 0.31 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1vga h LEU 167 Cb 0.93 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1vga h LEU 167 CO 1.39 0.00 -0.01 2.19 0.09 0.00 0.00 178.44 182.10 1vga h PHE 168 N 0.34 0.00 -0.21 1.13 -0.00 -1.87 -2.66 116.94 113.66 1vga h PHE 168 Ca 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.60 1vga h PHE 168 Cb 1.72 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.65 1vga h PHE 168 CO -0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 178.31 178.28 1vga n ALA 169 N -2.10 3.08 -3.79 12.09 0.00 0.49 -4.58 120.51 125.70 1vga n ALA 169 Ca -0.02 -2.56 -0.34 0.00 0.00 0.00 0.00 53.44 50.52 1vga n ALA 169 Cb 0.17 -0.63 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.93 2.72 0.00 0.00 1.01 -1.01 -4.35 121.20 116.64 1vga s ILE 170 Ca 0.40 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1vga s ILE 170 Cb 0.34 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1vga s ILE 170 CO 0.05 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1vga n GLY 171 N 4.61 0.37 0.01 6.18 0.00 -1.26 -4.84 105.19 110.26 1vga n GLY 171 Ca -0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.30 0.05 0.00 2.61 -2.24 -1.26 -4.93 114.28 106.21 1vga n THR 172 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1vga n THR 172 Cb 0.14 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 1.45 3.11 3.79 3.38 0.00 -1.26 -5.02 105.19 110.63 1vga n GLY 173 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 3.06 -0.01 1.61 1.02 -1.26 -5.06 119.74 118.77 1vga s LYS 174 Ca 0.00 1.29 0.02 0.00 0.02 0.00 0.00 55.97 57.30 1vga s LYS 174 Cb 0.00 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1vga s LYS 174 CO 0.00 -1.03 -0.06 0.95 -0.92 0.00 0.00 175.35 174.29 1vga s THR 175 N -2.41 0.51 -0.06 2.17 -4.23 -1.26 -4.54 115.64 105.82 1vga s THR 175 Ca 0.65 -0.24 -0.16 0.00 -1.18 0.00 0.00 61.69 60.76 1vga s THR 175 Cb -0.18 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.16 1vga s THR 175 CO 0.40 0.16 0.43 0.00 -0.54 0.00 0.00 174.62 175.06 1vga s ALA 176 N 0.04 3.60 0.67 3.99 0.00 -1.26 -4.99 121.76 123.81 1vga s ALA 176 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1vga s ALA 176 Cb -0.05 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1vga s ALA 176 CO -0.00 0.26 1.05 0.95 0.00 0.00 0.00 175.76 178.01 1vga s THR 177 N -0.28 4.26 0.43 0.00 -4.23 -1.26 -4.89 115.64 109.68 1vga s THR 177 Ca 0.24 0.73 0.16 0.00 -1.18 0.00 0.00 61.69 61.64 1vga s THR 177 Cb -0.16 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.28 1vga s THR 177 CO 0.11 -0.96 1.97 -0.65 -0.54 0.00 0.00 174.62 174.56 1vga h PRO 178 N -0.57 0.00 -0.30 3.99 0.11 -1.98 -1.02 132.00 132.24 1vga h PRO 178 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1vga h PRO 178 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1vga h PRO 178 CO 0.59 0.21 -0.14 0.93 -0.21 0.00 0.00 178.00 179.37 1vga h GLU 179 N 0.00 0.62 -0.60 1.05 3.07 -1.92 -0.22 114.58 116.58 1vga h GLU 179 Ca -0.00 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.54 1vga h GLU 179 Cb 0.38 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 1vga h GLU 179 CO 0.03 0.85 0.21 1.96 -1.40 0.00 0.00 179.01 180.66 1vga h GLN 180 N 0.37 0.92 -0.01 2.33 4.20 -1.79 -1.92 115.11 119.21 1vga h GLN 180 Ca 0.07 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1vga h GLN 180 Cb 0.67 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1vga h GLN 180 CO 0.04 0.81 0.01 0.00 -0.67 0.00 0.00 178.83 179.02 1vga h ALA 181 N 1.07 0.01 -0.70 3.87 0.00 -1.08 -2.79 119.26 119.64 1vga h ALA 181 Ca 0.20 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1vga h ALA 181 Cb 0.26 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1vga h ALA 181 CO -0.01 -0.47 0.34 0.37 0.00 0.00 0.00 179.25 179.48 1vga h GLN 182 N -0.01 0.57 -0.74 0.00 5.75 -0.84 0.72 115.11 120.56 1vga h GLN 182 Ca 0.00 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1vga h GLN 182 Cb 0.02 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 1vga h GLN 182 CO -0.00 0.38 0.46 -0.07 -2.65 0.00 0.00 178.83 176.95 1vga h LEU 183 N 0.59 0.76 -0.27 -2.39 3.38 -1.18 0.17 115.31 116.37 1vga h LEU 183 Ca 0.35 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 1vga h LEU 183 Cb 0.37 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vga h LEU 183 CO -0.27 0.52 -0.27 0.58 0.09 0.00 0.00 178.44 179.09 1vga h VAL 184 N 0.90 1.31 -0.71 1.22 2.07 -1.09 -2.63 116.25 117.32 1vga h VAL 184 Ca 0.30 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1vga h VAL 184 Cb 0.02 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1vga h VAL 184 CO -0.11 0.45 0.47 0.45 0.02 0.00 0.00 177.57 178.85 1vga h HIS 185 N 0.38 0.90 -0.21 1.57 3.86 -0.44 -0.02 115.15 121.19 1vga h HIS 185 Ca 0.04 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.15 1vga h HIS 185 Cb 0.83 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 1vga h HIS 185 CO 0.07 0.57 -0.39 -0.22 0.86 0.00 0.00 177.93 178.83 1vga h LYS 186 N 0.97 0.48 -0.17 2.45 3.64 -0.91 -1.89 116.57 121.13 1vga h LYS 186 Ca 0.26 -0.23 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 1vga h LYS 186 Cb -0.10 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1vga h LYS 186 CO -0.06 0.80 -0.56 1.49 -2.27 0.00 0.00 179.45 178.85 1vga h GLU 187 N 0.40 0.54 -0.55 1.90 4.57 -0.95 -2.17 114.58 118.32 1vga h GLU 187 Ca 0.04 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 57.81 1vga h GLU 187 Cb 0.86 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 1vga h GLU 187 CO 0.07 0.95 0.10 0.82 -1.18 0.00 0.00 179.01 179.78 1vga h ILE 188 N 0.41 1.25 -0.44 2.32 2.04 -0.80 -1.90 117.51 120.39 1vga h ILE 188 Ca 0.00 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.87 1vga h ILE 188 Cb 1.11 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1vga h ILE 188 CO 0.10 0.34 0.02 -0.09 0.00 0.00 0.00 178.15 178.53 1vga h ARG 189 N 0.79 0.70 -0.37 2.37 2.43 -1.24 -2.12 114.38 116.93 1vga h ARG 189 Ca 0.17 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1vga h ARG 189 Cb 0.39 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1vga h ARG 189 CO 0.01 0.70 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.88 1vga h LYS 190 N 0.66 0.62 -0.50 0.20 3.64 -1.03 -0.07 116.57 120.09 1vga h LYS 190 Ca 0.14 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1vga h LYS 190 Cb 0.38 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1vga h LYS 190 CO 0.01 0.69 0.19 0.82 -2.27 0.00 0.00 179.45 178.90 1vga h ILE 191 N 0.58 1.22 -0.48 2.00 2.04 -0.70 0.01 117.51 122.18 1vga h ILE 191 Ca 0.11 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.21 1vga h ILE 191 Cb 0.46 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1vga h ILE 191 CO 0.02 0.26 -0.04 0.58 0.00 0.00 0.00 178.15 178.97 1vga h VAL 192 N 0.67 1.25 -0.32 1.67 2.07 -1.02 -0.87 116.25 119.71 1vga h VAL 192 Ca 0.17 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1vga h VAL 192 Cb 0.21 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1vga h VAL 192 CO -0.01 0.37 0.04 0.50 0.02 0.00 0.00 177.57 178.50 1vga h LYS 193 N 0.75 0.54 -0.13 1.57 3.64 -0.52 0.22 116.57 122.63 1vga h LYS 193 Ca 0.14 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1vga h LYS 193 Cb 0.51 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1vga h LYS 193 CO 0.03 0.63 -0.61 -0.44 -2.27 0.00 0.00 179.45 176.79 1vga h ASP 194 N 0.36 0.52 0.43 4.20 3.32 -0.87 -2.37 116.42 122.01 1vga h ASP 194 Ca 0.10 -0.29 -0.31 0.00 0.02 0.00 0.00 57.03 56.54 1vga h ASP 194 Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1vga h ASP 194 CO 0.01 1.00 -1.60 0.71 -1.72 0.00 0.00 179.24 177.64 1vga h THR 195 N 0.34 1.06 0.00 0.35 1.35 -1.13 -3.44 112.91 111.44 1vga h THR 195 Ca -0.01 -2.74 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1vga h THR 195 Cb 1.15 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1vga h THR 195 CO 0.11 0.79 -0.29 0.00 -0.25 0.00 0.00 175.52 175.88 1vga n GLY 197 N 2.43 1.95 0.18 0.00 0.00 -0.89 -4.97 105.19 103.89 1vga n GLY 197 Ca -0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 0.54 -0.23 1.61 4.81 -1.87 -0.53 114.58 118.91 1vga h GLU 198 Ca 0.00 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1vga h GLU 198 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1vga h GLU 198 CO 0.00 0.71 0.14 0.87 -0.73 0.00 0.00 179.01 180.00 1vga h LYS 199 N 0.32 0.28 -0.64 1.92 6.56 -1.95 -0.66 116.57 122.40 1vga h LYS 199 Ca 0.08 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1vga h LYS 199 Cb 0.48 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 1vga h LYS 199 CO 0.02 0.19 0.40 1.96 -2.06 0.00 0.00 179.45 179.96 1vga h GLN 200 N 0.29 0.85 -0.68 3.15 7.50 -1.91 -1.79 115.11 122.52 1vga h GLN 200 Ca 0.09 -0.06 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 1vga h GLN 200 Cb -0.01 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.30 1vga h GLN 200 CO -0.04 0.59 0.29 0.00 -1.50 0.00 0.00 178.83 178.17 1vga h ALA 201 N 1.21 0.88 0.00 3.87 0.00 -0.79 -1.70 119.26 122.73 1vga h ALA 201 Ca 0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vga h ALA 201 Cb -0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1vga h ALA 201 CO -0.05 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.77 1vga n ASN 202 N -4.42 0.58 -0.04 0.00 3.02 -0.28 -3.60 115.26 110.52 1vga n ASN 202 Ca 0.05 0.59 -0.17 0.00 -0.03 0.00 0.00 54.58 55.02 1vga n ASN 202 Cb 0.16 -0.74 -0.14 0.00 -0.61 0.00 0.00 39.78 38.45 1vga n ASN 202 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1vga n GLN 203 N -2.09 0.71 -2.11 3.52 7.27 -0.70 -4.73 117.38 119.26 1vga n GLN 203 Ca 0.04 0.22 -0.41 0.00 0.07 0.00 0.00 57.00 56.93 1vga n GLN 203 Cb 0.32 -1.67 -0.02 0.00 2.41 0.00 0.00 30.24 31.27 1vga n GLN 203 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1vga s ILE 204 N -2.55 2.83 0.03 1.69 2.07 -0.69 -4.83 121.20 119.76 1vga s ILE 204 Ca -0.21 0.74 -0.27 0.00 -1.41 0.00 0.00 60.65 59.51 1vga s ILE 204 Cb 0.07 -3.47 -0.05 0.00 0.13 0.00 0.00 42.46 39.14 1vga s ILE 204 CO 0.75 0.14 0.84 -0.13 -1.91 0.00 0.00 174.94 174.63 1vga s ARG 205 N -0.82 4.54 -0.25 3.50 3.00 -1.26 -5.00 118.95 122.66 1vga s ARG 205 Ca 0.55 1.18 0.02 0.00 0.00 0.00 0.00 55.73 57.48 1vga s ARG 205 Cb -0.40 -3.40 0.06 0.00 0.00 0.00 0.00 34.95 31.22 1vga s ARG 205 CO 0.45 0.16 -0.08 0.42 0.00 0.00 0.00 175.30 176.25 1vga s ILE 206 N 0.33 1.92 0.25 1.52 1.01 -1.26 -1.17 121.20 123.80 1vga s ILE 206 Ca 0.43 -1.51 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1vga s ILE 206 Cb -0.21 -2.11 -0.06 0.00 0.01 0.00 0.00 42.46 40.09 1vga s ILE 206 CO 0.25 -0.08 0.54 -0.76 0.00 0.00 0.00 174.94 174.88 1vga s LEU 207 N 1.21 4.13 -0.21 2.97 1.43 0.16 -1.18 118.68 127.19 1vga s LEU 207 Ca -0.07 0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 53.65 1vga s LEU 207 Cb -0.20 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 1vga s LEU 207 CO -0.06 -0.11 0.53 -0.47 0.23 0.00 0.00 176.35 176.46 1vga s TYR 208 N -1.92 3.35 -0.22 0.29 5.04 -0.20 -1.34 117.35 122.35 1vga s TYR 208 Ca 0.45 0.76 0.14 0.00 -2.44 0.00 0.00 57.07 55.98 1vga s TYR 208 Cb -0.11 -2.69 0.50 0.00 0.35 0.00 0.00 41.96 40.01 1vga s TYR 208 CO 0.25 -0.14 1.41 0.41 -1.34 0.00 0.00 175.55 176.15 1vga n GLY 209 N 3.97 4.47 0.00 8.97 0.00 0.15 -2.26 105.19 120.48 1vga n GLY 209 Ca -0.04 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.85 0.92 3.64 -0.02 0.00 -1.25 -4.68 105.19 102.95 1vga n GLY 210 Ca 0.26 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 1vga n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vga s SER 211 N -1.00 6.32 -0.08 1.61 0.01 -1.26 -4.85 113.70 114.44 1vga s SER 211 Ca 0.00 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.20 1vga s SER 211 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1vga s SER 211 CO 0.00 -1.26 -0.15 -0.69 0.41 0.00 0.00 173.24 171.54 1vga s VAL 212 N 5.30 1.39 0.33 3.43 1.01 -1.26 -4.99 120.40 125.61 1vga s VAL 212 Ca 0.78 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1vga s VAL 212 Cb -0.30 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1vga s VAL 212 CO 0.32 0.41 0.33 -0.46 0.00 0.00 0.00 175.10 175.70 1vga n ASN 213 N 3.77 -0.85 0.28 3.32 0.23 -1.26 -4.69 115.26 116.05 1vga n ASN 213 Ca -0.22 -3.06 0.15 0.00 -0.53 0.00 0.00 54.58 50.93 1vga n ASN 213 Cb 0.52 1.84 0.80 0.00 -2.08 0.00 0.00 39.78 40.86 1vga n ASN 213 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1vga h THR 214 N 2.03 0.36 0.00 5.53 1.35 -1.95 -1.75 112.91 118.49 1vga h THR 214 Ca -0.24 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 1vga h THR 214 Cb 1.16 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1vga h THR 214 CO 0.34 0.08 -0.99 -0.33 -0.25 0.00 0.00 175.52 174.37 1vga h GLU 215 N 0.00 0.00 -0.00 4.72 3.07 -1.99 -3.39 114.58 116.99 1vga h GLU 215 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1vga h GLU 215 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1vga h GLU 215 CO 0.01 0.31 -0.32 0.27 -1.40 0.00 0.00 179.01 177.89 1vga n ASN 216 N -2.99 0.33 -0.32 1.42 0.23 -1.15 -4.68 115.26 108.10 1vga n ASN 216 Ca -0.04 -0.67 0.07 0.00 -0.53 0.00 0.00 54.58 53.41 1vga n ASN 216 Cb 0.75 0.99 0.26 0.00 -2.08 0.00 0.00 39.78 39.71 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 0.96 0.94 0.52 0.00 0.02 -1.84 -1.23 113.55 112.93 1vga h SER 218 Ca 0.45 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1vga h SER 218 Cb 0.41 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1vga h SER 218 CO -0.21 0.99 -0.22 0.77 -1.14 0.00 0.00 176.83 177.03 1vga h SER 219 N 0.85 0.00 0.01 3.07 4.64 -1.73 -2.65 113.55 117.74 1vga h SER 219 Ca 0.16 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1vga h SER 219 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1vga h SER 219 CO 0.02 0.22 -0.68 -0.07 -0.87 0.00 0.00 176.83 175.45 1vga h LEU 220 N 0.00 0.03 -2.63 5.97 3.38 -1.20 -3.34 115.31 117.52 1vga h LEU 220 Ca -0.00 -0.77 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 1vga h LEU 220 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1vga h LEU 220 CO 0.03 1.27 -0.01 -0.29 0.09 0.00 0.00 178.44 179.53 1vga h ILE 221 N -0.94 0.08 0.00 1.22 6.09 -1.24 -1.30 117.51 121.41 1vga h ILE 221 Ca -0.18 -0.12 -0.06 0.00 -1.37 0.00 0.00 64.86 63.13 1vga h ILE 221 Cb 1.20 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 39.59 1vga h ILE 221 CO -0.09 0.01 -0.27 -0.61 -3.07 0.00 0.00 178.15 174.12 1vga h GLN 222 N 0.00 0.00 -6.92 2.19 4.15 -1.59 -3.45 115.11 109.49 1vga h GLN 222 Ca -0.00 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 58.88 1vga h GLN 222 Cb 0.11 0.00 0.10 0.00 0.21 0.00 0.00 27.48 27.90 1vga h GLN 222 CO 0.00 0.27 0.78 -0.65 -1.93 0.00 0.00 178.83 177.31 1vga s GLN 223 N -3.66 4.13 0.39 1.69 -1.52 -0.49 -4.91 119.66 115.28 1vga s GLN 223 Ca 0.00 2.55 0.11 0.00 -1.95 0.00 0.00 55.36 56.06 1vga s GLN 223 Cb 0.11 -2.98 0.89 0.00 -0.22 0.00 0.00 33.01 30.80 1vga s GLN 223 CO 0.65 -0.52 1.92 0.93 -0.25 0.00 0.00 175.29 178.03 1vga h GLU 224 N 3.29 0.58 -0.51 2.91 5.08 -1.89 -2.87 114.58 121.17 1vga h GLU 224 Ca -0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1vga h GLU 224 Cb 1.24 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1vga h GLU 224 CO 0.66 0.38 0.00 -0.25 -1.00 0.00 0.00 179.01 178.81 1vga n ASP 225 N -4.50 3.57 -4.46 1.42 8.00 -1.26 -4.88 116.55 114.44 1vga n ASP 225 Ca 0.14 -2.13 -0.38 0.00 0.71 0.00 0.00 54.79 53.12 1vga n ASP 225 Cb 0.40 -0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 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 -1.24 4.66 -0.91 0.53 1.01 -1.09 -4.65 121.20 119.52 1vga s ILE 226 Ca 0.37 -0.29 0.15 0.00 0.00 0.00 0.00 60.65 60.88 1vga s ILE 226 Cb 0.21 -3.32 0.51 0.00 0.01 0.00 0.00 42.46 39.87 1vga s ILE 226 CO 0.22 0.14 1.43 0.47 0.00 0.00 0.00 174.94 177.20 1vga n ASP 227 N 4.99 3.80 0.00 3.58 8.00 -0.33 -4.73 116.55 131.86 1vga n ASP 227 Ca -0.14 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1vga n ASP 227 Cb 0.50 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.58 0.09 3.19 0.44 0.00 -1.26 -1.55 105.19 106.68 1vga n GLY 228 Ca 0.19 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.89 0.21 -0.36 1.61 0.40 -0.72 -1.03 117.98 115.19 1vga s PHE 229 Ca 0.00 -0.65 -0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1vga s PHE 229 Cb 0.00 -0.11 0.09 0.00 0.51 0.00 0.00 43.02 43.51 1vga s PHE 229 CO 0.00 -0.51 0.09 -1.17 0.70 0.00 0.00 175.22 174.33 1vga s LEU 230 N -2.85 4.70 -0.16 -0.37 2.96 -0.96 -0.87 118.68 121.14 1vga s LEU 230 Ca 0.05 -1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 51.94 1vga s LEU 230 Cb 0.05 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1vga s LEU 230 CO -0.11 -0.41 0.33 -0.69 -1.32 0.00 0.00 176.35 174.15 1vga s VAL 231 N 1.09 5.27 0.00 1.68 1.01 0.34 -4.55 120.40 125.24 1vga s VAL 231 Ca 0.05 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1vga s VAL 231 Cb -0.21 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1vga s VAL 231 CO -0.05 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1vga n GLY 232 N 3.47 0.83 0.44 4.51 0.00 -1.26 -0.40 105.19 112.78 1vga n GLY 232 Ca -0.11 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.95 0.16 115.58 118.17 1vga h ASN 233 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 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 -0.04 0.00 -1.65 0.00 0.00 177.43 175.74 1vga h ALA 234 N 1.58 1.12 0.00 -0.83 0.00 -1.87 -1.64 119.26 117.62 1vga h ALA 234 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vga h ALA 234 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1vga h ALA 234 CO -0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1vga n SER 235 N -3.30 0.00 -0.71 0.00 3.41 0.56 -2.70 113.62 110.88 1vga n SER 235 Ca -0.02 -1.13 0.12 0.00 -0.26 0.00 0.00 58.87 57.59 1vga n SER 235 Cb 0.20 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.93 2.31 -4.71 1.04 7.99 -0.62 -4.92 117.00 117.17 1vga n LEU 236 Ca 0.21 -0.78 -0.31 0.00 -0.01 0.00 0.00 56.01 55.12 1vga n LEU 236 Cb 0.09 -0.01 -0.08 0.00 -0.11 0.00 0.00 43.42 43.32 1vga n LEU 236 CO 0.15 0.39 -0.31 -0.54 -1.51 0.00 0.00 177.39 175.58 1vga s LYS 237 N -2.12 2.71 0.56 3.23 -0.14 -1.10 -5.00 119.74 117.87 1vga s LYS 237 Ca 0.28 -0.73 0.24 0.00 -1.36 0.00 0.00 55.97 54.40 1vga s LYS 237 Cb 0.20 -2.63 1.56 0.00 -1.68 0.00 0.00 37.83 35.28 1vga s LYS 237 CO 0.37 0.57 2.19 0.93 -0.76 0.00 0.00 175.35 178.66 1vga h GLU 238 N 3.68 0.00 0.00 1.68 5.08 -1.91 -0.79 114.58 122.32 1vga h GLU 238 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1vga h GLU 238 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1vga h GLU 238 CO 0.61 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.49 1vga n SER 239 N -4.17 0.00 0.28 1.42 3.41 -1.26 -2.34 113.62 110.97 1vga n SER 239 Ca -0.02 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 58.93 1vga n SER 239 Cb 0.12 -0.30 0.85 0.00 -0.26 0.00 0.00 64.21 64.62 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 0.00 0.00 7.33 3.57 -1.31 -0.64 116.94 125.89 1vga h PHE 240 Ca 0.00 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1vga h PHE 240 Cb 0.07 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1vga h PHE 240 CO 0.00 0.00 -0.08 -0.39 -2.23 0.00 0.00 178.31 175.61 1vga h VAL 241 N 0.00 1.05 0.00 1.41 -1.51 -1.71 -0.70 116.25 114.79 1vga h VAL 241 Ca 0.01 -0.27 -0.11 0.00 -1.23 0.00 0.00 66.70 65.09 1vga h VAL 241 Cb 0.05 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 1vga h VAL 241 CO -0.00 0.08 -0.54 0.44 -1.23 0.00 0.00 177.57 176.32 1vga h ASP 242 N 0.00 0.00 -0.18 4.19 3.32 -1.36 -0.60 116.42 121.79 1vga h ASP 242 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1vga h ASP 242 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1vga h ASP 242 CO 0.01 0.54 -0.64 0.40 -1.72 0.00 0.00 179.24 177.83 1vga h ILE 243 N 0.00 1.28 -0.65 0.35 2.04 -1.20 -2.63 117.51 116.70 1vga h ILE 243 Ca -0.01 -1.85 -0.04 0.00 1.00 0.00 0.00 64.86 63.97 1vga h ILE 243 Cb 1.10 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.94 1vga h ILE 243 CO 0.07 0.59 0.26 0.40 0.00 0.00 0.00 178.15 179.47 1vga h ILE 244 N 0.58 1.24 -0.07 -0.67 2.04 -1.01 -2.66 117.51 116.96 1vga h ILE 244 Ca -0.01 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1vga h ILE 244 Cb 1.25 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1vga h ILE 244 CO 0.14 0.30 0.04 0.11 0.00 0.00 0.00 178.15 178.73 1vga h LYS 245 N 0.92 0.10 0.00 2.37 1.57 -0.95 -1.44 116.57 119.13 1vga h LYS 245 Ca 0.22 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1vga h LYS 245 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1vga h LYS 245 CO -0.02 0.08 0.00 0.66 -0.57 0.00 0.00 179.45 179.60 1vga h SER 246 N 0.10 0.00 -0.29 0.86 4.64 -1.10 -1.93 113.55 115.83 1vga h SER 246 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1vga h SER 246 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1vga h SER 246 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1vga n ALA 247 N -2.01 2.37 1.47 5.18 0.00 -0.55 -4.90 120.51 122.08 1vga n ALA 247 Ca -0.01 -0.94 0.14 0.00 0.00 0.00 0.00 53.44 52.63 1vga n ALA 247 Cb 0.15 -0.64 0.50 0.00 0.00 0.00 0.00 19.45 19.45 1vga n ALA 247 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17