#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgg s LEU 3 N 0.00 4.03 0.09 4.31 1.43 -1.26 -0.37 118.68 126.91 1vgg s LEU 3 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1vgg s LEU 3 Cb 0.00 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1vgg s LEU 3 CO 0.00 0.39 -0.09 -0.54 0.23 0.00 0.00 176.35 176.34 1vgg s LYS 4 N -0.95 0.82 -0.22 1.70 1.02 0.22 -4.99 119.74 117.34 1vgg s LYS 4 Ca 0.14 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.97 1vgg s LYS 4 Cb -0.12 -0.44 0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1vgg s LYS 4 CO 0.03 0.06 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.22 1vgg s LEU 5 N -2.53 2.83 -0.29 3.17 2.96 -1.26 -0.70 118.68 122.86 1vgg s LEU 5 Ca 0.06 -0.91 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1vgg s LEU 5 Cb -0.02 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.15 1vgg s LEU 5 CO -0.01 -0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.31 1vgg s ILE 6 N 1.25 3.17 0.33 6.68 1.01 0.67 -4.91 121.20 129.40 1vgg s ILE 6 Ca -0.00 -1.19 -0.28 0.00 0.00 0.00 0.00 60.65 59.17 1vgg s ILE 6 Cb -0.16 -2.75 -0.10 0.00 0.01 0.00 0.00 42.46 39.47 1vgg s ILE 6 CO -0.08 -0.02 1.19 -2.84 0.00 0.00 0.00 174.94 173.18 1vgg s PRO 7 N 1.32 4.39 -0.09 2.79 0.02 -1.26 -0.03 135.00 142.13 1vgg s PRO 7 Ca -0.03 1.95 -0.19 0.00 0.02 0.00 0.00 61.00 62.75 1vgg s PRO 7 Cb -0.19 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1vgg s PRO 7 CO -0.01 -0.06 0.53 0.42 -0.33 0.00 0.00 177.00 177.54 1vgg s ILE 8 N -1.23 5.13 -0.26 2.83 -1.09 0.11 -4.91 121.20 121.79 1vgg s ILE 8 Ca 0.49 1.06 -0.23 0.00 -2.23 0.00 0.00 60.65 59.75 1vgg s ILE 8 Cb -0.34 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1vgg s ILE 8 CO 0.44 0.33 0.76 -0.70 -1.23 0.00 0.00 174.94 174.54 1vgg s GLU 9 N 0.51 4.10 -0.28 2.79 2.12 -1.26 -4.67 118.70 122.01 1vgg s GLU 9 Ca 0.28 0.73 -0.18 0.00 0.36 0.00 0.00 54.97 56.16 1vgg s GLU 9 Cb -0.16 -3.67 0.11 0.00 0.26 0.00 0.00 34.13 30.67 1vgg s GLU 9 CO 0.12 -0.53 0.85 -1.59 -0.54 0.00 0.00 175.26 173.58 1vgg s LYS 10 N 2.77 0.56 0.41 4.30 -2.85 -1.26 -4.95 119.74 118.72 1vgg s LYS 10 Ca 0.32 0.89 -0.25 0.00 -1.00 0.00 0.00 55.97 55.93 1vgg s LYS 10 Cb -0.15 0.15 -0.11 0.00 -2.06 0.00 0.00 37.83 35.67 1vgg s LYS 10 CO 0.09 -0.10 1.03 -2.30 0.10 0.00 0.00 175.35 174.17 1vgg n PRO 11 N 3.63 1.40 0.32 1.78 -0.02 -1.26 -4.82 135.00 136.02 1vgg n PRO 11 Ca -0.18 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.00 1vgg n PRO 11 Cb 0.58 -2.06 1.08 0.00 -0.02 0.00 0.00 33.50 33.08 1vgg n PRO 11 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vgg h GLU 12 N 1.62 0.00 -0.12 -0.52 3.07 -2.00 -1.52 114.58 115.10 1vgg h GLU 12 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1vgg h GLU 12 Cb 1.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1vgg h GLU 12 CO 0.57 0.00 0.00 0.27 -1.40 0.00 0.00 179.01 178.45 1vgg n ASN 13 N -2.95 2.00 -4.69 1.42 6.94 -1.26 -4.92 115.26 111.79 1vgg n ASN 13 Ca -0.03 -1.71 -0.26 0.00 -0.02 0.00 0.00 54.58 52.57 1vgg n ASN 13 Cb 0.13 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.41 1vgg n ASN 13 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1vgg s LEU 14 N -1.76 3.39 0.12 -4.53 1.43 -0.57 -4.63 118.68 112.13 1vgg s LEU 14 Ca 0.35 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1vgg s LEU 14 Cb 0.20 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1vgg s LEU 14 CO 0.30 0.07 0.02 0.20 0.23 0.00 0.00 176.35 177.16 1vgg s ASN 15 N -3.13 5.06 0.09 2.29 0.01 -1.23 -4.49 114.94 113.53 1vgg s ASN 15 Ca 0.29 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 52.26 1vgg s ASN 15 Cb -0.09 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.34 1vgg s ASN 15 CO 0.20 0.14 -0.10 0.68 -1.51 0.00 0.00 177.10 176.52 1vgg s VAL 16 N -1.45 0.86 -0.12 1.60 -7.23 -0.35 -0.72 120.40 112.99 1vgg s VAL 16 Ca 0.27 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.88 1vgg s VAL 16 Cb -0.11 -1.24 0.03 0.00 0.56 0.00 0.00 36.38 35.62 1vgg s VAL 16 CO 0.19 -0.53 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.77 1vgg s ILE 17 N -2.29 0.90 -0.15 -0.62 1.01 -0.17 -1.53 121.20 118.35 1vgg s ILE 17 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 1vgg s ILE 17 Cb -0.04 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1vgg s ILE 17 CO -0.00 0.26 -0.13 -0.22 0.00 0.00 0.00 174.94 174.85 1vgg s LEU 18 N 1.75 2.62 0.00 2.97 2.96 0.07 -0.65 118.68 128.39 1vgg s LEU 18 Ca 0.04 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1vgg s LEU 18 Cb -0.13 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 1vgg s LEU 18 CO -0.08 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 1vgg n GLY 19 N 3.90 3.29 3.16 7.98 0.00 -0.47 0.18 105.19 123.23 1vgg n GLY 19 Ca -0.19 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 1vgg n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vgg s GLN 20 N -1.63 2.18 0.00 1.61 2.00 0.39 -0.88 119.66 123.33 1vgg s GLN 20 Ca 0.00 -0.69 0.00 0.00 -2.00 0.00 0.00 55.36 52.67 1vgg s GLN 20 Cb 0.00 -1.80 0.00 0.00 0.80 0.00 0.00 33.01 32.01 1vgg s GLN 20 CO 0.00 0.22 0.00 0.00 -0.50 0.00 0.00 175.29 175.01 1vgg n ALA 21 N 3.31 0.00 -3.51 1.58 0.00 0.04 -0.38 120.51 121.55 1vgg n ALA 21 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1vgg n ALA 21 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1vgg n ALA 21 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1vgg s HIS 22 N -1.32 -0.41 0.17 0.00 -3.43 -0.90 -4.79 115.29 104.61 1vgg s HIS 22 Ca 0.00 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 1vgg s HIS 22 Cb 0.00 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1vgg s HIS 22 CO 0.00 -0.55 0.00 0.34 -2.00 0.00 0.00 174.74 172.53 1vgg n PHE 23 N 0.04 -1.57 0.26 0.38 7.35 -1.26 -4.45 117.46 118.21 1vgg n PHE 23 Ca -0.11 0.83 0.17 0.00 -0.76 0.00 0.00 57.45 57.58 1vgg n PHE 23 Cb 0.61 -2.00 0.91 0.00 0.35 0.00 0.00 39.48 39.36 1vgg n PHE 23 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 1vgg h ILE 24 N 0.72 0.40 0.00 -2.13 6.09 -2.02 -1.76 117.51 118.80 1vgg h ILE 24 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1vgg h ILE 24 Cb 0.00 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1vgg h ILE 24 CO 0.00 0.00 0.00 1.17 -3.07 0.00 0.00 178.15 176.25 1vgg n LYS 25 N -3.66 0.05 -0.28 2.19 4.81 -1.26 -2.74 118.16 117.27 1vgg n LYS 25 Ca -0.01 0.31 0.03 0.00 -0.87 0.00 0.00 58.31 57.77 1vgg n LYS 25 Cb 0.21 -1.50 0.17 0.00 0.02 0.00 0.00 35.03 33.93 1vgg n LYS 25 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1vgg h THR 26 N 0.00 0.87 0.68 3.15 2.02 -1.53 -1.30 112.91 116.80 1vgg h THR 26 Ca 0.00 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1vgg h THR 26 Cb 0.10 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.60 1vgg h THR 26 CO 0.00 0.13 -0.33 0.58 0.37 0.00 0.00 175.52 176.28 1vgg h VAL 27 N 0.73 0.28 -0.57 3.16 2.07 -1.78 -0.47 116.25 119.68 1vgg h VAL 27 Ca 0.39 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.72 1vgg h VAL 27 Cb 0.40 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1vgg h VAL 27 CO -0.26 0.02 0.08 -0.33 0.02 0.00 0.00 177.57 177.09 1vgg h GLU 28 N -1.01 0.95 -0.41 1.57 5.08 -1.77 -2.29 114.58 116.71 1vgg h GLU 28 Ca -0.09 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1vgg h GLU 28 Cb 0.73 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1vgg h GLU 28 CO 0.15 0.91 0.23 -0.44 -1.00 0.00 0.00 179.01 178.87 1vgg h ASP 29 N 0.84 0.50 -0.17 1.42 5.19 -1.22 -0.35 116.42 122.63 1vgg h ASP 29 Ca 0.17 -0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 56.37 1vgg h ASP 29 Cb 0.43 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1vgg h ASP 29 CO 0.01 0.43 -0.37 -0.07 -3.12 0.00 0.00 179.24 176.13 1vgg h LEU 30 N 0.53 0.73 -0.34 1.55 3.38 -1.07 0.00 115.31 120.10 1vgg h LEU 30 Ca 0.15 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1vgg h LEU 30 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1vgg h LEU 30 CO -0.02 1.03 0.15 -0.74 0.09 0.00 0.00 178.44 178.94 1vgg h HIS 31 N 0.58 0.50 -0.78 1.13 2.76 -1.24 -1.69 115.15 116.41 1vgg h HIS 31 Ca 0.05 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1vgg h HIS 31 Cb 0.90 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 1vgg h HIS 31 CO 0.04 0.45 0.39 0.93 -1.30 0.00 0.00 177.93 178.45 1vgg h GLU 32 N 0.40 1.11 -0.92 5.26 5.08 -0.91 -2.22 114.58 122.39 1vgg h GLU 32 Ca 0.11 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1vgg h GLU 32 Cb 0.15 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1vgg h GLU 32 CO -0.01 0.85 0.53 0.00 -1.00 0.00 0.00 179.01 179.38 1vgg h ALA 33 N 1.20 1.17 -0.16 3.43 0.00 -0.67 -1.32 119.26 122.92 1vgg h ALA 33 Ca 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1vgg h ALA 33 Cb 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1vgg h ALA 33 CO -0.04 0.65 -0.13 -0.07 0.00 0.00 0.00 179.25 179.67 1vgg h LEU 34 N 1.27 0.38 -1.18 0.00 3.38 -1.03 -1.76 115.31 116.38 1vgg h LEU 34 Ca 0.33 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1vgg h LEU 34 Cb -0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1vgg h LEU 34 CO -0.06 0.76 -0.17 -0.37 0.09 0.00 0.00 178.44 178.69 1vgg h VAL 35 N 0.01 0.43 0.04 1.22 -1.51 -1.32 -2.38 116.25 112.74 1vgg h VAL 35 Ca 0.03 -0.97 -0.22 0.00 -1.23 0.00 0.00 66.70 64.30 1vgg h VAL 35 Cb 0.64 1.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 1vgg h VAL 35 CO 0.03 0.17 -1.04 0.74 -1.23 0.00 0.00 177.57 176.24 1vgg h THR 36 N 0.00 1.63 -0.09 7.19 2.02 -1.18 -3.34 112.91 119.13 1vgg h THR 36 Ca -0.00 -3.20 -0.23 0.00 0.77 0.00 0.00 66.41 63.75 1vgg h THR 36 Cb 0.69 2.81 0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1vgg h THR 36 CO 0.02 0.92 -0.85 0.00 0.37 0.00 0.00 175.52 175.98 1vgg h ALA 37 N 0.90 0.32 -3.35 6.16 0.00 -0.92 -3.44 119.26 118.93 1vgg h ALA 37 Ca -0.05 -0.64 -0.39 0.00 0.00 0.00 0.00 54.91 53.84 1vgg h ALA 37 Cb 1.77 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 19.19 1vgg h ALA 37 CO 0.15 0.71 -0.75 0.08 0.00 0.00 0.00 179.25 179.44 1vgg s VAL 38 N -3.57 0.15 0.16 0.00 1.01 -0.93 -5.02 120.40 112.20 1vgg s VAL 38 Ca -0.09 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.80 1vgg s VAL 38 Cb 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 1vgg s VAL 38 CO 0.89 0.20 1.40 -2.16 0.00 0.00 0.00 175.10 175.43 1vgg s PRO 39 N 1.73 4.31 -0.43 2.72 0.04 -1.26 -2.86 135.00 139.26 1vgg s PRO 39 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1vgg s PRO 39 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1vgg s PRO 39 CO -0.03 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1vgg n GLY 40 N 3.06 0.65 3.76 0.56 0.00 -1.26 -4.97 105.19 106.99 1vgg n GLY 40 Ca 0.10 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1vgg n GLY 40 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vgg s ILE 41 N -1.94 2.04 -0.22 -0.61 2.07 -1.13 -4.99 121.20 116.42 1vgg s ILE 41 Ca 0.00 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.22 1vgg s ILE 41 Cb 0.00 -3.02 -0.02 0.00 0.13 0.00 0.00 42.46 39.54 1vgg s ILE 41 CO 0.00 0.01 0.02 -0.13 -1.91 0.00 0.00 174.94 172.93 1vgg s ARG 42 N -1.22 3.61 0.25 3.50 0.52 -1.26 -4.80 118.95 119.55 1vgg s ARG 42 Ca 0.59 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 55.07 1vgg s ARG 42 Cb -0.47 -3.17 0.03 0.00 0.52 0.00 0.00 34.95 31.85 1vgg s ARG 42 CO 0.55 -0.09 0.69 -0.59 0.02 0.00 0.00 175.30 175.88 1vgg s PHE 43 N 1.28 -0.24 -0.02 -0.53 -0.71 -1.26 -0.64 117.98 115.86 1vgg s PHE 43 Ca 0.04 -0.17 0.03 0.00 -1.04 0.00 0.00 56.93 55.79 1vgg s PHE 43 Cb -0.15 0.66 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 1vgg s PHE 43 CO 0.02 -1.15 -0.10 0.20 -1.34 0.00 0.00 175.22 172.85 1vgg s GLY 44 N -2.89 0.55 -0.03 1.99 0.00 -0.39 -1.36 107.32 105.19 1vgg s GLY 44 Ca 0.09 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.47 1vgg s GLY 44 CO 0.03 -0.16 -0.14 -2.27 0.00 0.00 0.00 173.10 170.56 1vgg s LEU 45 N 0.09 1.90 0.02 0.66 2.96 0.06 -0.25 118.68 124.13 1vgg s LEU 45 Ca -0.02 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1vgg s LEU 45 Cb -0.08 -0.76 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1vgg s LEU 45 CO 0.00 0.13 -0.06 0.00 -1.32 0.00 0.00 176.35 175.10 1vgg s ALA 46 N -0.00 0.44 -0.03 5.97 0.00 -0.48 -1.72 121.76 125.95 1vgg s ALA 46 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1vgg s ALA 46 Cb -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1vgg s ALA 46 CO 0.01 0.02 0.00 0.12 0.00 0.00 0.00 175.76 175.91 1vgg s PHE 47 N -0.81 0.26 -0.71 0.00 5.99 0.18 -1.02 117.98 121.88 1vgg s PHE 47 Ca -0.05 0.02 -0.21 0.00 0.00 0.00 0.00 56.93 56.69 1vgg s PHE 47 Cb -0.06 -0.38 0.09 0.00 0.00 0.00 0.00 43.02 42.67 1vgg s PHE 47 CO 0.00 -0.12 0.96 0.45 -0.00 0.00 0.00 175.22 176.51 1vgg s SER 48 N 1.00 6.29 0.21 6.13 0.15 -0.17 -0.14 113.70 127.17 1vgg s SER 48 Ca -0.10 -1.32 -0.32 0.00 0.70 0.00 0.00 55.95 54.91 1vgg s SER 48 Cb -0.13 -2.39 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 1vgg s SER 48 CO -0.02 -1.30 1.67 -0.70 1.20 0.00 0.00 173.24 174.10 1vgg s GLU 49 N 3.50 4.14 0.00 5.44 2.12 -0.94 -0.47 118.70 132.49 1vgg s GLU 49 Ca 0.23 2.56 0.16 0.00 0.36 0.00 0.00 54.97 58.27 1vgg s GLU 49 Cb -0.15 -3.08 0.31 0.00 0.26 0.00 0.00 34.13 31.47 1vgg s GLU 49 CO 0.05 -0.70 1.22 0.00 -0.54 0.00 0.00 175.26 175.28 1vgg n ALA 50 N 3.67 2.35 -2.92 6.30 0.00 -1.26 -3.95 120.51 124.71 1vgg n ALA 50 Ca 0.14 -0.96 -0.15 0.00 0.00 0.00 0.00 53.44 52.47 1vgg n ALA 50 Cb 0.36 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.18 1vgg n ALA 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vgg s SER 51 N -1.15 1.01 1.93 0.00 1.04 -1.26 -4.92 113.70 110.35 1vgg s SER 51 Ca 0.27 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1vgg s SER 51 Cb 0.16 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1vgg s SER 51 CO 0.22 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1vgg n GLY 52 N -0.59 3.62 0.19 7.32 0.00 -1.26 -1.13 105.19 113.33 1vgg n GLY 52 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1vgg n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vgg h LYS 53 N 0.00 0.00 -6.11 1.61 1.79 -1.98 -3.47 116.57 108.42 1vgg h LYS 53 Ca 0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 1vgg h LYS 53 Cb 0.00 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.69 1vgg h LYS 53 CO 0.00 0.00 -0.82 0.54 -1.08 0.00 0.00 179.45 178.09 1vgg n ARG 54 N -2.55 -5.07 -4.00 3.15 1.74 -0.29 -4.97 116.66 104.67 1vgg n ARG 54 Ca 0.01 0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 57.37 1vgg n ARG 54 Cb 0.25 -5.24 -0.06 0.00 -1.02 0.00 0.00 32.46 26.39 1vgg n ARG 54 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vgg s LEU 55 N -6.77 4.17 -0.00 0.55 1.43 -1.25 -4.79 118.68 112.01 1vgg s LEU 55 Ca 0.11 0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 1vgg s LEU 55 Cb -0.05 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1vgg s LEU 55 CO 0.81 0.31 1.31 -0.69 0.23 0.00 0.00 176.35 178.32 1vgg s VAL 56 N -1.18 3.90 -0.01 -1.59 1.01 -1.26 -2.21 120.40 119.06 1vgg s VAL 56 Ca 0.22 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 1vgg s VAL 56 Cb -0.12 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1vgg s VAL 56 CO 0.12 0.02 0.15 -0.13 0.00 0.00 0.00 175.10 175.26 1vgg s ARG 57 N 2.08 3.32 0.03 2.72 1.81 0.80 -4.92 118.95 124.79 1vgg s ARG 57 Ca 0.61 -0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.26 1vgg s ARG 57 Cb -0.29 -3.02 -0.02 0.00 -0.45 0.00 0.00 34.95 31.16 1vgg s ARG 57 CO 0.26 0.67 -0.05 -0.98 -0.68 0.00 0.00 175.30 174.51 1vgg s ARG 58 N -1.84 0.44 -0.11 3.54 1.70 -1.26 -0.64 118.95 120.78 1vgg s ARG 58 Ca 0.25 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.47 1vgg s ARG 58 Cb -0.12 -0.08 0.10 0.00 -0.57 0.00 0.00 34.95 34.28 1vgg s ARG 58 CO 0.17 -0.01 0.86 0.45 -1.08 0.00 0.00 175.30 175.69 1vgg s SER 59 N -1.66 -0.48 0.00 -2.89 0.15 -0.70 -5.01 113.70 103.11 1vgg s SER 59 Ca -0.11 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1vgg s SER 59 Cb -0.08 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1vgg s SER 59 CO -0.01 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1vgg n GLY 60 N 0.73 -1.79 0.32 9.45 0.00 -1.26 -0.76 105.19 111.88 1vgg n GLY 60 Ca -0.14 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.80 1vgg n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vgg n THR 61 N -0.22 0.00 -3.64 2.61 -2.24 -0.47 -4.90 114.28 105.42 1vgg n THR 61 Ca 0.00 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.07 1vgg n THR 61 Cb 0.00 1.16 -0.17 0.00 -2.10 0.00 0.00 70.33 69.22 1vgg n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vgg s ASP 62 N -0.89 1.79 0.29 3.42 2.15 -1.10 -4.77 116.67 117.55 1vgg s ASP 62 Ca 0.10 -0.29 -0.01 0.00 0.43 0.00 0.00 52.55 52.78 1vgg s ASP 62 Cb 0.07 -0.21 0.47 0.00 -0.30 0.00 0.00 42.92 42.96 1vgg s ASP 62 CO 0.14 -0.30 1.90 -0.08 -0.17 0.00 0.00 175.17 176.66 1vgg h GLU 63 N 8.42 1.07 -0.72 4.34 4.57 -1.90 -0.78 114.58 129.58 1vgg h GLU 63 Ca -0.14 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 57.93 1vgg h GLU 63 Cb 1.14 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 1vgg h GLU 63 CO 0.23 0.71 0.25 0.00 -1.18 0.00 0.00 179.01 179.02 1vgg h ALA 64 N 1.48 0.93 -0.28 2.92 0.00 -1.97 -1.10 119.26 121.24 1vgg h ALA 64 Ca 0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1vgg h ALA 64 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1vgg h ALA 64 CO -0.15 0.59 -0.42 -0.07 0.00 0.00 0.00 179.25 179.20 1vgg h LEU 65 N 1.04 0.74 -0.37 0.00 3.38 -1.73 -1.78 115.31 116.59 1vgg h LEU 65 Ca 0.23 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1vgg h LEU 65 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1vgg h LEU 65 CO -0.01 1.06 0.17 0.58 0.09 0.00 0.00 178.44 180.33 1vgg h VAL 66 N 0.57 1.18 -0.45 1.22 2.07 -0.90 -1.16 116.25 118.78 1vgg h VAL 66 Ca 0.04 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1vgg h VAL 66 Cb 0.96 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1vgg h VAL 66 CO 0.09 0.19 0.07 -0.33 0.02 0.00 0.00 177.57 177.61 1vgg h GLU 67 N 0.46 0.69 -0.51 1.57 5.08 -1.03 -0.88 114.58 119.95 1vgg h GLU 67 Ca 0.13 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1vgg h GLU 67 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1vgg h GLU 67 CO -0.01 0.65 -0.12 1.25 -1.00 0.00 0.00 179.01 179.78 1vgg h LEU 68 N 0.66 0.97 -0.46 1.33 5.85 -1.06 -0.02 115.31 122.58 1vgg h LEU 68 Ca 0.14 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1vgg h LEU 68 Cb 0.31 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1vgg h LEU 68 CO 0.00 1.09 0.23 0.00 -0.34 0.00 0.00 178.44 179.43 1vgg h ALA 69 N 0.99 0.60 -0.32 1.25 0.00 -0.55 -1.98 119.26 119.25 1vgg h ALA 69 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1vgg h ALA 69 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1vgg h ALA 69 CO 0.05 0.15 0.09 0.28 0.00 0.00 0.00 179.25 179.82 1vgg h VAL 70 N 0.61 1.21 -0.58 0.00 2.07 -0.97 -2.09 116.25 116.50 1vgg h VAL 70 Ca 0.16 -0.69 0.06 0.00 0.82 0.00 0.00 66.70 67.05 1vgg h VAL 70 Cb 0.10 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1vgg h VAL 70 CO -0.02 0.23 0.28 0.50 0.02 0.00 0.00 177.57 178.58 1vgg h LYS 71 N 0.35 0.51 -0.70 1.57 3.64 -0.81 -0.95 116.57 120.19 1vgg h LYS 71 Ca 0.10 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1vgg h LYS 71 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1vgg h LYS 71 CO -0.00 0.34 0.18 -0.91 -2.27 0.00 0.00 179.45 176.78 1vgg h ASN 72 N 0.52 1.04 0.49 4.20 2.35 -1.24 -2.38 115.58 120.57 1vgg h ASN 72 Ca 0.26 -0.21 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1vgg h ASN 72 Cb 0.21 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1vgg h ASN 72 CO -0.20 0.99 -0.38 -0.07 -1.65 0.00 0.00 177.43 176.12 1vgg h LEU 73 N 1.05 0.00 -0.78 1.61 3.38 -0.70 -0.60 115.31 119.27 1vgg h LEU 73 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1vgg h LEU 73 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1vgg h LEU 73 CO 0.00 0.38 -0.50 -0.07 0.09 0.00 0.00 178.44 178.34 1vgg h LEU 74 N 0.00 0.29 -0.06 1.67 3.38 -0.80 0.15 115.31 119.94 1vgg h LEU 74 Ca -0.00 -0.14 -0.21 0.00 0.09 0.00 0.00 57.88 57.61 1vgg h LEU 74 Cb 0.73 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1vgg h LEU 74 CO 0.05 0.74 -0.79 0.78 0.09 0.00 0.00 178.44 179.31 1vgg h ASN 75 N 0.21 0.81 -0.38 -0.43 2.35 -0.95 -3.29 115.58 113.89 1vgg h ASN 75 Ca 0.01 -0.69 -0.11 0.00 -0.55 0.00 0.00 56.30 54.96 1vgg h ASN 75 Cb 0.96 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1vgg h ASN 75 CO 0.08 1.38 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.99 1vgg h LEU 76 N 0.30 0.82 -1.94 1.61 3.38 -1.05 -3.48 115.31 114.96 1vgg h LEU 76 Ca -0.08 -0.40 -0.48 0.00 0.09 0.00 0.00 57.88 57.01 1vgg h LEU 76 Cb 1.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 1vgg h LEU 76 CO 0.16 1.04 -0.88 0.00 0.09 0.00 0.00 178.44 178.86 1vgg n ALA 77 N -2.48 -2.04 -3.78 1.53 0.00 0.03 -4.97 120.51 108.81 1vgg n ALA 77 Ca -0.02 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.84 1vgg n ALA 77 Cb 0.42 -1.69 -0.16 0.00 0.00 0.00 0.00 19.45 18.02 1vgg n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgg n GLY 79 N 4.42 0.72 2.58 0.00 0.00 -1.26 -2.60 105.19 109.05 1vgg n GLY 79 Ca -0.20 0.47 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 1vgg n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vgg n HIS 80 N 1.63 0.00 -3.16 1.61 8.25 0.38 -4.97 115.22 118.96 1vgg n HIS 80 Ca 0.11 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.24 1vgg n HIS 80 Cb 0.32 -1.69 -0.06 0.00 1.12 0.00 0.00 29.99 29.68 1vgg n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vgg s VAL 81 N -1.71 4.70 0.11 1.59 1.01 -1.07 -0.78 120.40 124.25 1vgg s VAL 81 Ca 0.00 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.95 1vgg s VAL 81 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1vgg s VAL 81 CO 0.00 -0.16 -0.14 0.72 0.00 0.00 0.00 175.10 175.52 1vgg s PHE 82 N -1.95 1.34 -0.03 5.22 -0.12 -0.06 -1.00 117.98 121.39 1vgg s PHE 82 Ca 0.53 -0.55 -0.00 0.00 -0.05 0.00 0.00 56.93 56.86 1vgg s PHE 82 Cb -0.11 -0.71 0.03 0.00 -0.63 0.00 0.00 43.02 41.60 1vgg s PHE 82 CO 0.18 0.12 0.03 -1.17 -0.05 0.00 0.00 175.22 174.33 1vgg s LEU 83 N -2.33 0.88 -0.16 -1.99 2.96 -0.19 -1.36 118.68 116.49 1vgg s LEU 83 Ca 0.07 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1vgg s LEU 83 Cb -0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 1vgg s LEU 83 CO 0.03 -0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.17 1vgg s ILE 84 N 1.31 3.18 -0.26 6.68 1.01 0.18 -1.38 121.20 131.91 1vgg s ILE 84 Ca -0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 1vgg s ILE 84 Cb -0.13 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1vgg s ILE 84 CO -0.03 0.49 0.05 -0.69 0.00 0.00 0.00 174.94 174.77 1vgg s VAL 85 N 0.73 3.98 -0.07 2.92 1.01 0.66 -1.00 120.40 128.62 1vgg s VAL 85 Ca -0.05 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1vgg s VAL 85 Cb -0.15 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 1vgg s VAL 85 CO 0.02 0.24 0.45 -0.76 0.00 0.00 0.00 175.10 175.05 1vgg s LEU 86 N 1.54 4.36 0.92 3.92 1.43 0.10 -1.27 118.68 129.68 1vgg s LEU 86 Ca 0.05 0.88 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 1vgg s LEU 86 Cb -0.16 -2.66 0.14 0.00 0.03 0.00 0.00 46.19 43.55 1vgg s LEU 86 CO 0.02 0.13 1.09 -0.83 0.23 0.00 0.00 176.35 176.99 1vgg s GLY 87 N -0.05 1.62 0.20 -3.19 0.00 0.19 -3.52 107.32 102.58 1vgg s GLY 87 Ca 0.25 0.02 -0.32 0.00 0.00 0.00 0.00 44.72 44.66 1vgg s GLY 87 CO 0.12 0.51 1.48 -2.21 0.00 0.00 0.00 173.10 173.00 1vgg n GLU 88 N -4.01 2.08 -0.21 2.90 2.13 -1.26 -1.90 120.64 120.37 1vgg n GLU 88 Ca 0.07 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1vgg n GLU 88 Cb 0.55 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1vgg n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1vgg n GLY 89 N 2.69 0.97 3.37 8.31 0.00 -1.26 -5.03 105.19 114.25 1vgg n GLY 89 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1vgg n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgg s PHE 90 N -2.63 2.89 0.16 1.61 0.08 -0.80 -5.12 117.98 114.18 1vgg s PHE 90 Ca 0.00 -0.67 0.09 0.00 0.12 0.00 0.00 56.93 56.47 1vgg s PHE 90 Cb 0.00 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.47 1vgg s PHE 90 CO 0.00 -0.27 -0.15 0.71 -0.10 0.00 0.00 175.22 175.41 1vgg s TYR 91 N 0.66 2.55 0.35 0.36 1.51 -1.26 -4.65 117.35 116.86 1vgg s TYR 91 Ca -0.05 -0.26 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1vgg s TYR 91 Cb -0.15 -1.29 0.75 0.00 -0.11 0.00 0.00 41.96 41.16 1vgg s TYR 91 CO 0.02 0.46 1.90 -1.35 -1.11 0.00 0.00 175.55 175.48 1vgg h PRO 92 N 3.28 0.74 0.00 -1.71 0.11 -1.96 0.17 132.00 132.63 1vgg h PRO 92 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1vgg h PRO 92 Cb 1.19 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1vgg h PRO 92 CO 0.50 0.49 -0.00 -0.84 -0.21 0.00 0.00 178.00 177.94 1vgg h ILE 93 N 0.76 0.56 0.00 4.15 3.07 -2.00 0.19 117.51 124.24 1vgg h ILE 93 Ca 0.40 -0.02 -0.10 0.00 1.55 0.00 0.00 64.86 66.69 1vgg h ILE 93 Cb 0.50 1.01 -0.01 0.00 -0.27 0.00 0.00 36.82 38.05 1vgg h ILE 93 CO -0.17 0.00 -0.48 0.78 -1.05 0.00 0.00 178.15 177.24 1vgg h ASN 94 N 0.00 0.00 0.00 2.16 -0.26 -1.37 -3.38 115.58 112.73 1vgg h ASN 94 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1vgg h ASN 94 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 1vgg h ASN 94 CO 0.00 0.48 0.00 1.33 -1.06 0.00 0.00 177.43 178.18 1vgg n VAL 95 N -3.86 0.00 0.03 2.81 0.24 -0.39 -4.78 118.33 112.38 1vgg n VAL 95 Ca -0.01 -0.36 0.10 0.00 -2.04 0.00 0.00 64.34 62.02 1vgg n VAL 95 Cb 0.52 1.11 0.53 0.00 -1.47 0.00 0.00 33.84 34.53 1vgg n VAL 95 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1vgg h LEU 96 N 0.00 0.27 -1.01 1.34 3.38 -0.87 -0.94 115.31 117.49 1vgg h LEU 96 Ca 0.00 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1vgg h LEU 96 Cb 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1vgg h LEU 96 CO 0.00 0.18 0.66 1.12 0.09 0.00 0.00 178.44 180.49 1vgg h HIS 97 N 0.31 1.23 -0.03 1.13 2.07 -1.84 0.85 115.15 118.89 1vgg h HIS 97 Ca 0.17 0.03 -0.19 0.00 -2.85 0.00 0.00 60.37 57.53 1vgg h HIS 97 Cb 0.29 -0.41 -0.01 0.00 2.57 0.00 0.00 27.41 29.85 1vgg h HIS 97 CO -0.00 0.71 -0.82 0.00 -3.07 0.00 0.00 177.93 174.75 1vgg h ALA 98 N 1.41 0.54 -0.13 6.11 0.00 -1.53 -2.30 119.26 123.36 1vgg h ALA 98 Ca 0.40 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1vgg h ALA 98 Cb 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vgg h ALA 98 CO -0.13 0.83 -0.12 0.28 0.00 0.00 0.00 179.25 180.11 1vgg h VAL 99 N 0.19 1.35 -0.92 0.00 2.07 -0.91 -2.44 116.25 115.59 1vgg h VAL 99 Ca -0.04 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1vgg h VAL 99 Cb 1.42 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 1vgg h VAL 99 CO 0.13 0.36 0.61 0.11 0.02 0.00 0.00 177.57 178.81 1vgg h LYS 100 N -0.08 1.21 -0.00 1.57 1.57 -0.88 -2.65 116.57 117.30 1vgg h LYS 100 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1vgg h LYS 100 Cb 0.63 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1vgg h LYS 100 CO 0.03 0.80 -0.08 0.00 -0.57 0.00 0.00 179.45 179.62 1vgg n ALA 101 N -2.39 2.54 -1.85 3.86 0.00 -0.87 -4.85 120.51 116.95 1vgg n ALA 101 Ca 0.11 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 1vgg n ALA 101 Cb 0.02 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1vgg n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgg h PRO 103 N 8.36 0.00 0.00 0.00 0.11 -1.89 -1.76 132.00 136.82 1vgg h PRO 103 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1vgg h PRO 103 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1vgg h PRO 103 CO 0.94 0.00 -0.82 0.93 -0.21 0.00 0.00 178.00 178.84 1vgg h GLU 104 N 0.00 0.00 -6.40 1.05 3.07 -1.89 -3.46 114.58 106.95 1vgg h GLU 104 Ca 0.06 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.37 1vgg h GLU 104 Cb 0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1vgg h GLU 104 CO -0.00 0.03 0.60 0.08 -1.40 0.00 0.00 179.01 178.32 1vgg s VAL 105 N -3.30 4.23 -0.21 3.13 1.01 -0.66 -2.12 120.40 122.48 1vgg s VAL 105 Ca 0.01 1.59 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 1vgg s VAL 105 Cb 0.09 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 1vgg s VAL 105 CO 0.77 0.07 0.05 0.52 0.00 0.00 0.00 175.10 176.50 1vgg n VAL 106 N 4.24 1.59 -3.72 2.92 0.31 0.49 -4.88 118.33 119.28 1vgg n VAL 106 Ca 0.10 -0.34 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 1vgg n VAL 106 Cb 0.47 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 1vgg n VAL 106 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vgg s ARG 107 N -2.47 1.27 -0.13 5.55 1.70 -1.10 -5.01 118.95 118.76 1vgg s ARG 107 Ca -0.31 -0.66 0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1vgg s ARG 107 Cb 0.09 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.94 1vgg s ARG 107 CO 0.61 -0.58 -0.19 0.42 -1.08 0.00 0.00 175.30 174.48 1vgg s ILE 108 N -3.42 1.83 0.03 4.99 1.01 -1.26 -0.47 121.20 123.91 1vgg s ILE 108 Ca 0.10 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1vgg s ILE 108 Cb -0.02 -1.64 -0.32 0.00 0.01 0.00 0.00 42.46 40.49 1vgg s ILE 108 CO 0.00 0.51 1.04 1.88 0.00 0.00 0.00 174.94 178.37 1vgg h TYR 109 N 7.43 0.94 -2.30 3.97 0.05 -0.60 -3.48 116.97 122.98 1vgg h TYR 109 Ca -0.33 -0.63 -0.03 0.00 0.05 0.00 0.00 58.73 57.79 1vgg h TYR 109 Cb 1.18 -0.06 -0.17 0.00 1.01 0.00 0.00 36.73 38.69 1vgg h TYR 109 CO 0.47 1.48 0.23 0.00 -1.05 0.00 0.00 178.16 179.29 1vgg s ALA 110 N -2.80 -1.73 -0.09 3.88 0.00 -0.93 -4.86 121.76 115.24 1vgg s ALA 110 Ca -0.10 1.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1vgg s ALA 110 Cb 0.04 0.25 0.05 0.00 0.00 0.00 0.00 23.12 23.46 1vgg s ALA 110 CO 0.92 -0.51 0.13 0.00 0.00 0.00 0.00 175.76 176.30 1vgg s ALA 111 N -2.09 0.01 -0.02 0.00 0.00 -1.26 -0.75 121.76 117.65 1vgg s ALA 111 Ca -0.06 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1vgg s ALA 111 Cb -0.00 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.40 1vgg s ALA 111 CO 0.01 -0.66 1.06 -0.08 0.00 0.00 0.00 175.76 176.10 1vgg s THR 112 N 2.24 0.00 -0.63 0.00 -1.32 -0.58 -4.99 115.64 110.37 1vgg s THR 112 Ca 0.04 -0.20 0.07 0.00 -1.21 0.00 0.00 61.69 60.39 1vgg s THR 112 Cb -0.13 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.43 1vgg s THR 112 CO -0.06 0.00 0.52 0.00 -2.21 0.00 0.00 174.62 172.88 1vgg n ALA 113 N -0.31 2.63 -1.82 11.08 0.00 -1.26 -1.21 120.51 129.63 1vgg n ALA 113 Ca -0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.69 1vgg n ALA 113 Cb 0.61 -0.23 0.06 0.00 0.00 0.00 0.00 19.45 19.88 1vgg n ALA 113 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1vgg s ASN 114 N -1.03 5.23 0.34 0.00 0.02 -1.26 -4.83 114.94 113.41 1vgg s ASN 114 Ca 0.06 1.16 -0.29 0.00 -1.02 0.00 0.00 52.86 52.77 1vgg s ASN 114 Cb 0.05 -1.94 -0.11 0.00 0.02 0.00 0.00 41.25 39.28 1vgg s ASN 114 CO 0.16 -1.48 1.47 -2.84 0.02 0.00 0.00 177.10 174.43 1vgg s PRO 115 N -5.32 4.18 -0.02 -0.60 0.02 -1.26 -4.71 135.00 127.28 1vgg s PRO 115 Ca 0.59 2.48 0.02 0.00 0.02 0.00 0.00 61.00 64.11 1vgg s PRO 115 Cb -0.12 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1vgg s PRO 115 CO 0.52 -0.48 -0.08 -1.17 -0.33 0.00 0.00 177.00 175.47 1vgg s LEU 116 N -1.52 1.83 0.00 -5.54 2.96 -1.26 -1.54 118.68 113.61 1vgg s LEU 116 Ca 0.55 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 1vgg s LEU 116 Cb -0.45 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 1vgg s LEU 116 CO 0.56 0.06 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.99 1vgg s LYS 117 N 0.11 0.96 -0.16 1.98 1.02 -1.26 -0.71 119.74 121.68 1vgg s LYS 117 Ca -0.01 -0.51 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 1vgg s LYS 117 Cb -0.07 -0.93 -0.02 0.00 -0.52 0.00 0.00 37.83 36.29 1vgg s LYS 117 CO 0.00 0.25 -0.05 0.08 -0.92 0.00 0.00 175.35 174.71 1vgg s VAL 118 N -0.44 3.70 -0.18 3.17 1.01 0.96 -4.46 120.40 124.17 1vgg s VAL 118 Ca 0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1vgg s VAL 118 Cb -0.05 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 1vgg s VAL 118 CO -0.00 0.49 0.69 -0.69 0.00 0.00 0.00 175.10 175.59 1vgg s VAL 119 N 0.51 4.99 0.13 2.92 1.01 -0.03 -0.24 120.40 129.69 1vgg s VAL 119 Ca -0.04 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1vgg s VAL 119 Cb -0.15 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 1vgg s VAL 119 CO 0.03 0.10 -0.16 0.68 0.00 0.00 0.00 175.10 175.75 1vgg s VAL 120 N 1.85 1.54 -0.05 2.92 -7.23 0.12 0.12 120.40 119.68 1vgg s VAL 120 Ca 0.32 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1vgg s VAL 120 Cb -0.16 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1vgg s VAL 120 CO 0.12 -0.33 -0.19 0.00 -0.31 0.00 0.00 175.10 174.39 1vgg s ALA 121 N -1.94 2.44 -0.03 1.32 0.00 -0.24 -0.61 121.76 122.70 1vgg s ALA 121 Ca 0.10 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.09 1vgg s ALA 121 Cb -0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1vgg s ALA 121 CO 0.04 0.51 -0.17 -2.00 0.00 0.00 0.00 175.76 174.14 1vgg s GLU 122 N -0.55 1.60 -0.19 0.00 2.12 0.50 -0.88 118.70 121.29 1vgg s GLU 122 Ca 0.08 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 54.75 1vgg s GLU 122 Cb -0.11 -1.46 0.10 0.00 0.26 0.00 0.00 34.13 32.92 1vgg s GLU 122 CO 0.01 0.31 0.32 -2.00 -0.54 0.00 0.00 175.26 173.36 1vgg s GLU 123 N -0.18 0.25 6.84 4.30 2.56 -0.56 -1.16 118.70 130.75 1vgg s GLU 123 Ca 0.01 0.65 0.00 0.00 0.00 0.00 0.00 54.97 55.64 1vgg s GLU 123 Cb -0.09 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.75 1vgg s GLU 123 CO 0.01 -0.45 0.00 0.41 -0.56 0.00 0.00 175.26 174.67 1vgg n GLY 124 N 5.36 3.28 2.26 -1.50 0.00 -1.26 -1.81 105.19 111.52 1vgg n GLY 124 Ca -0.06 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1vgg n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vgg n GLU 125 N 14.00 2.53 -4.18 1.61 1.02 -1.26 -4.90 120.64 129.46 1vgg n GLU 125 Ca 0.00 -3.03 -0.16 0.00 -0.02 0.00 0.00 57.16 53.95 1vgg n GLU 125 Cb 0.00 -2.19 -0.13 0.00 -0.02 0.00 0.00 31.44 29.10 1vgg n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1vgg s GLN 126 N -3.51 0.63 0.02 3.49 -0.21 -0.75 -5.02 119.66 114.31 1vgg s GLN 126 Ca 0.60 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1vgg s GLN 126 Cb 0.47 -0.53 -0.02 0.00 1.00 0.00 0.00 33.01 33.94 1vgg s GLN 126 CO 0.00 0.12 -0.03 1.03 -2.12 0.00 0.00 175.29 174.30 1vgg s ARG 127 N -1.04 0.27 -0.03 2.91 0.52 -1.26 -1.50 118.95 118.81 1vgg s ARG 127 Ca -0.03 -0.49 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1vgg s ARG 127 Cb -0.07 0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.44 1vgg s ARG 127 CO 0.01 -0.03 -0.16 0.00 0.02 0.00 0.00 175.30 175.13 1vgg s ALA 128 N -1.13 1.42 -0.23 2.13 0.00 -0.06 -4.15 121.76 119.74 1vgg s ALA 128 Ca -0.12 -0.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 1vgg s ALA 128 Cb -0.08 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.61 1vgg s ALA 128 CO -0.01 0.29 0.93 0.42 0.00 0.00 0.00 175.76 177.40 1vgg s ILE 129 N -0.12 4.76 -0.13 0.00 1.01 -1.26 -1.07 121.20 124.38 1vgg s ILE 129 Ca 0.00 1.80 0.19 0.00 0.00 0.00 0.00 60.65 62.64 1vgg s ILE 129 Cb -0.09 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 37.98 1vgg s ILE 129 CO 0.01 -0.12 0.64 0.18 0.00 0.00 0.00 174.94 175.65 1vgg n LEU 130 N 6.12 0.51 0.00 2.97 4.77 0.12 -4.97 117.00 126.51 1vgg n LEU 130 Ca 0.09 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1vgg n LEU 130 Cb 0.47 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1vgg n LEU 130 CO 0.50 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1vgg n GLY 131 N 1.40 0.17 0.00 -0.72 0.00 -1.16 -4.98 105.19 99.90 1vgg n GLY 131 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1vgg n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1vgg n VAL 132 N -0.41 0.00 0.00 1.61 0.24 -1.26 -0.85 118.33 117.66 1vgg n VAL 132 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1vgg n VAL 132 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1vgg n VAL 132 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1vgg n ASP 134 N 0.00 0.00 -0.05 -1.34 4.64 -1.26 -4.97 116.55 113.57 1vgg n ASP 134 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 1vgg n ASP 134 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1vgg n ASP 134 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1vgg n GLY 135 N 0.00 -0.76 3.72 0.27 0.00 -0.59 -4.95 105.19 102.88 1vgg n GLY 135 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 1vgg n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgg s PHE 136 N 0.00 2.62 0.73 1.61 0.08 -1.26 -4.97 117.98 116.79 1vgg s PHE 136 Ca 0.00 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 1vgg s PHE 136 Cb 0.00 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 1vgg s PHE 136 CO 0.00 0.25 1.14 0.95 -0.10 0.00 0.00 175.22 177.47 1vgg s THR 137 N -2.55 2.81 0.44 0.64 -4.23 -1.26 -4.99 115.64 106.49 1vgg s THR 137 Ca 0.40 0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 61.02 1vgg s THR 137 Cb 0.02 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.96 1vgg s THR 137 CO 0.22 -0.26 1.14 -2.16 -0.54 0.00 0.00 174.62 173.02 1vgg s PRO 138 N -4.23 3.88 0.00 3.99 0.04 -1.26 -4.97 135.00 132.46 1vgg s PRO 138 Ca 0.68 1.71 0.17 0.00 0.04 0.00 0.00 61.00 63.60 1vgg s PRO 138 Cb -0.23 -2.46 0.07 0.00 0.04 0.00 0.00 34.50 31.92 1vgg s PRO 138 CO 0.47 -0.43 0.96 1.28 0.04 0.00 0.00 177.00 179.32 1vgg n LEU 139 N -0.34 2.08 0.00 -3.56 4.77 -1.26 -5.07 117.00 113.62 1vgg n LEU 139 Ca 0.06 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 1vgg n LEU 139 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1vgg n LEU 139 CO 0.47 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1vgg n GLY 140 N 1.05 -1.09 3.34 -0.72 0.00 -1.26 -5.13 105.19 101.38 1vgg n GLY 140 Ca 0.09 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1vgg n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vgg s VAL 141 N -3.00 2.43 0.38 1.61 1.01 -1.26 -5.11 120.40 116.46 1vgg s VAL 141 Ca 0.00 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 1vgg s VAL 141 Cb 0.00 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 1vgg s VAL 141 CO 0.00 0.57 1.44 -1.83 0.00 0.00 0.00 175.10 175.28 1vgg s GLU 142 N -0.32 4.09 0.52 2.72 -1.05 -1.26 -5.03 118.70 118.37 1vgg s GLU 142 Ca 0.02 2.48 0.08 0.00 -0.15 0.00 0.00 54.97 57.39 1vgg s GLU 142 Cb -0.13 -2.94 0.09 0.00 -0.44 0.00 0.00 34.13 30.71 1vgg s GLU 142 CO 0.02 -0.51 0.72 -0.40 0.95 0.00 0.00 175.26 176.04 1vgg n ASP 143 N 0.42 1.79 0.11 0.83 5.68 -1.26 -4.90 116.55 119.22 1vgg n ASP 143 Ca 0.01 -2.31 0.04 0.00 -0.50 0.00 0.00 54.79 52.03 1vgg n ASP 143 Cb 0.40 -0.39 0.45 0.00 -1.14 0.00 0.00 41.12 40.44 1vgg n ASP 143 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1vgg h GLU 144 N 0.00 0.27 -0.51 0.11 4.39 -1.99 -1.14 114.58 115.71 1vgg h GLU 144 Ca -0.24 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 1vgg h GLU 144 Cb 1.09 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1vgg h GLU 144 CO 0.34 0.30 -0.03 0.00 -1.16 0.00 0.00 179.01 178.45 1vgg h ALA 145 N 1.74 0.98 -0.14 3.43 0.00 -1.99 -1.20 119.26 122.08 1vgg h ALA 145 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1vgg h ALA 145 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vgg h ALA 145 CO 0.00 0.62 -0.55 0.93 0.00 0.00 0.00 179.25 180.25 1vgg h GLU 146 N 0.81 0.41 -0.32 0.00 5.08 -1.75 -1.25 114.58 117.57 1vgg h GLU 146 Ca 0.15 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1vgg h GLU 146 Cb 0.53 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1vgg h GLU 146 CO 0.03 0.85 0.10 0.28 -1.00 0.00 0.00 179.01 179.27 1vgg h VAL 147 N 0.32 1.21 -0.84 3.13 2.07 -0.92 -1.54 116.25 119.67 1vgg h VAL 147 Ca 0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1vgg h VAL 147 Cb 1.06 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1vgg h VAL 147 CO 0.09 0.23 0.49 0.00 0.02 0.00 0.00 177.57 178.40 1vgg h ALA 148 N 0.93 1.27 -0.28 1.67 0.00 -1.04 -2.12 119.26 119.70 1vgg h ALA 148 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1vgg h ALA 148 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vgg h ALA 148 CO -0.00 0.61 -0.08 2.35 0.00 0.00 0.00 179.25 182.13 1vgg h TRP 149 N 1.17 0.61 0.00 0.00 -0.00 -0.97 -0.51 115.95 116.24 1vgg h TRP 149 Ca 0.30 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.89 59.02 1vgg h TRP 149 Cb -0.01 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 28.99 1vgg h TRP 149 CO 0.01 0.75 -0.15 0.07 -0.00 0.00 0.00 178.44 179.12 1vgg h ARG 150 N 0.30 0.00 0.01 2.65 0.11 -1.05 0.13 114.38 116.52 1vgg h ARG 150 Ca 0.07 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.05 1vgg h ARG 150 Cb 0.56 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.65 1vgg h ARG 150 CO 0.03 0.15 -0.38 0.87 0.10 0.00 0.00 179.97 180.74 1vgg h LYS 151 N 0.00 0.24 -0.99 0.08 1.57 -1.16 -3.12 116.57 113.19 1vgg h LYS 151 Ca -0.00 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1vgg h LYS 151 Cb 0.40 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1vgg h LYS 151 CO 0.02 1.00 0.65 0.22 -0.57 0.00 0.00 179.45 180.77 1vgg h ASP 152 N -0.41 1.15 -0.24 0.86 3.58 -0.62 -2.53 116.42 118.21 1vgg h ASP 152 Ca -0.05 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.40 1vgg h ASP 152 Cb 1.15 -0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 1vgg h ASP 152 CO 0.07 0.84 0.01 0.25 -2.88 0.00 0.00 179.24 177.54 1vgg h LEU 153 N 1.35 -0.07 -1.46 2.28 5.85 -0.83 -0.44 115.31 121.99 1vgg h LEU 153 Ca 0.36 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.09 1vgg h LEU 153 Cb -0.14 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1vgg h LEU 153 CO -0.08 -0.00 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.86 1vgg h LEU 154 N 0.09 0.22 -0.31 2.25 3.38 -1.41 -0.85 115.31 118.69 1vgg h LEU 154 Ca 0.11 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 1vgg h LEU 154 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1vgg h LEU 154 CO -0.18 0.35 -0.68 0.03 0.09 0.00 0.00 178.44 178.05 1vgg h ARG 155 N 0.23 0.69 0.00 1.13 -0.00 -0.99 -0.23 114.38 115.21 1vgg h ARG 155 Ca 0.05 -0.51 -0.09 0.00 -0.50 0.00 0.00 59.98 58.93 1vgg h ARG 155 Cb 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.36 1vgg h ARG 155 CO 0.02 1.13 -0.42 0.00 0.00 0.00 0.00 179.97 180.70 1vgg h ARG 156 N 0.50 0.00 0.00 0.04 3.08 -0.61 -2.41 114.38 114.98 1vgg h ARG 156 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1vgg h ARG 156 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1vgg h ARG 156 CO 0.13 0.42 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.30 1vgg h LEU 157 N 0.00 0.00 0.00 3.04 3.38 -1.10 -3.47 115.31 117.16 1vgg h LEU 157 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vgg h LEU 157 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1vgg h LEU 157 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1vgg n GLY 158 N 1.13 0.81 0.18 0.83 0.00 -0.75 -4.96 105.19 102.43 1vgg n GLY 158 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1vgg n GLY 158 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1vgg h TYR 159 N 0.00 0.00 -3.81 1.61 -1.99 -1.32 -3.46 116.97 108.00 1vgg h TYR 159 Ca 0.00 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.41 1vgg h TYR 159 Cb 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 38.54 1vgg h TYR 159 CO 0.00 0.13 -0.74 0.15 -0.00 0.00 0.00 178.16 177.70 1vgg s LYS 160 N -3.17 0.78 0.00 4.88 -0.14 -1.02 -4.99 119.74 116.08 1vgg s LYS 160 Ca 0.05 -1.07 0.16 0.00 -1.36 0.00 0.00 55.97 53.75 1vgg s LYS 160 Cb 0.06 -0.51 0.13 0.00 -1.68 0.00 0.00 37.83 35.83 1vgg s LYS 160 CO 0.71 0.08 1.00 1.28 -0.76 0.00 0.00 175.35 177.67