#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdx s ARG 2 N 0.00 4.28 0.07 3.17 1.81 -1.26 -0.24 118.95 126.77 1vdx s ARG 2 Ca 0.00 0.42 -0.06 0.00 -1.72 0.00 0.00 55.73 54.37 1vdx s ARG 2 Cb 0.00 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 1vdx s ARG 2 CO 0.00 0.25 0.10 0.00 -0.68 0.00 0.00 175.30 174.97 1vdx s ALA 3 N 0.34 0.04 0.10 2.13 0.00 -0.63 -1.24 121.76 122.51 1vdx s ALA 3 Ca 0.25 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 1vdx s ALA 3 Cb -0.15 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.39 1vdx s ALA 3 CO 0.10 -0.43 0.50 -0.59 0.00 0.00 0.00 175.76 175.34 1vdx s PHE 4 N -3.65 -0.37 -0.17 0.00 -0.71 0.48 -0.36 117.98 113.20 1vdx s PHE 4 Ca 0.04 0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 56.09 1vdx s PHE 4 Cb 0.05 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 1vdx s PHE 4 CO -0.09 -0.71 0.04 0.42 -1.34 0.00 0.00 175.22 173.53 1vdx s ILE 5 N -3.25 4.60 0.13 -4.49 1.01 -0.32 0.70 121.20 119.57 1vdx s ILE 5 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 1vdx s ILE 5 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1vdx s ILE 5 CO -0.08 0.48 0.16 0.00 0.00 0.00 0.00 174.94 175.50 1vdx s ALA 6 N 0.26 0.29 -0.13 9.38 0.00 0.10 -0.03 121.76 131.64 1vdx s ALA 6 Ca 0.02 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1vdx s ALA 6 Cb -0.13 0.73 -0.00 0.00 0.00 0.00 0.00 23.12 23.73 1vdx s ALA 6 CO 0.01 -0.54 -0.19 0.42 0.00 0.00 0.00 175.76 175.45 1vdx s ILE 7 N -3.97 2.39 0.12 0.00 1.01 -0.66 0.32 121.20 120.41 1vdx s ILE 7 Ca 0.16 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1vdx s ILE 7 Cb 0.05 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1vdx s ILE 7 CO -0.02 0.54 0.26 -0.62 0.00 0.00 0.00 174.94 175.10 1vdx s ASP 8 N 0.53 6.36 0.74 3.58 -1.08 -1.26 -0.88 116.67 124.65 1vdx s ASP 8 Ca -0.12 0.25 -0.03 0.00 -0.52 0.00 0.00 52.55 52.13 1vdx s ASP 8 Cb -0.17 -1.95 0.13 0.00 -1.46 0.00 0.00 42.92 39.48 1vdx s ASP 8 CO 0.04 0.09 1.02 0.68 0.52 0.00 0.00 175.17 177.53 1vdx s VAL 9 N -1.65 2.15 0.58 1.11 -7.23 -1.26 -4.89 120.40 109.21 1vdx s VAL 9 Ca 0.35 -0.52 0.09 0.00 -1.81 0.00 0.00 61.98 60.09 1vdx s VAL 9 Cb -0.12 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.28 1vdx s VAL 9 CO 0.28 0.00 0.76 0.54 -0.31 0.00 0.00 175.10 176.37 1vdx s ASN 10 N -4.73 5.00 0.12 4.85 2.20 -1.26 -4.97 114.94 116.16 1vdx s ASN 10 Ca 0.66 -0.93 -0.17 0.00 -0.94 0.00 0.00 52.86 51.48 1vdx s ASN 10 Cb -0.06 0.39 -0.02 0.00 -2.00 0.00 0.00 41.25 39.56 1vdx s ASN 10 CO 0.45 -1.36 1.67 -0.33 -2.94 0.00 0.00 177.10 174.59 1vdx h GLU 11 N 0.22 0.53 -0.63 3.55 4.39 -1.98 -1.82 114.58 118.84 1vdx h GLU 11 Ca -0.30 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.38 1vdx h GLU 11 Cb 1.29 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 1vdx h GLU 11 CO 0.43 0.52 0.30 0.66 -1.16 0.00 0.00 179.01 179.76 1vdx h SER 12 N 0.42 0.40 -0.11 1.42 4.64 -1.96 0.87 113.55 119.23 1vdx h SER 12 Ca 0.12 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1vdx h SER 12 Cb 0.19 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1vdx h SER 12 CO -0.01 0.25 -0.27 0.58 -0.87 0.00 0.00 176.83 176.51 1vdx h VAL 13 N 0.55 1.27 -0.10 0.95 2.07 -1.82 -0.62 116.25 118.55 1vdx h VAL 13 Ca 0.30 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1vdx h VAL 13 Cb 0.27 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1vdx h VAL 13 CO -0.23 0.43 -0.01 -0.09 0.02 0.00 0.00 177.57 177.69 1vdx h ARG 14 N 0.49 0.18 -0.27 1.57 2.43 -0.13 0.10 114.38 118.76 1vdx h ARG 14 Ca 0.07 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1vdx h ARG 14 Cb 0.73 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1vdx h ARG 14 CO 0.06 0.47 0.17 -0.44 -1.51 0.00 0.00 179.97 178.71 1vdx h ASP 15 N -0.13 0.32 -0.46 -3.80 3.32 0.83 -1.60 116.42 114.89 1vdx h ASP 15 Ca 0.03 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1vdx h ASP 15 Cb 0.40 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1vdx h ASP 15 CO 0.01 0.27 0.26 -1.28 -1.72 0.00 0.00 179.24 176.77 1vdx h SER 16 N 0.34 0.40 -0.37 6.45 0.87 -1.05 -2.43 113.55 117.76 1vdx h SER 16 Ca 0.10 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1vdx h SER 16 Cb 0.01 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1vdx h SER 16 CO -0.02 0.28 0.01 -0.07 -0.53 0.00 0.00 176.83 176.50 1vdx h LEU 17 N 0.51 0.70 -0.56 2.23 3.38 -0.48 -2.00 115.31 119.09 1vdx h LEU 17 Ca 0.19 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1vdx h LEU 17 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1vdx h LEU 17 CO -0.11 0.77 -0.08 0.58 0.09 0.00 0.00 178.44 179.68 1vdx h VAL 18 N 0.69 1.27 -0.38 1.22 2.07 -1.04 -0.51 116.25 119.57 1vdx h VAL 18 Ca 0.14 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 1vdx h VAL 18 Cb 0.42 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1vdx h VAL 18 CO 0.02 0.44 -0.06 0.03 0.02 0.00 0.00 177.57 178.02 1vdx h ARG 19 N 0.94 0.64 -0.56 1.57 3.08 -1.28 0.42 114.38 119.19 1vdx h ARG 19 Ca 0.15 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 1vdx h ARG 19 Cb 0.66 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1vdx h ARG 19 CO 0.05 0.70 -0.03 0.00 -1.07 0.00 0.00 179.97 179.62 1vdx h ALA 20 N 1.34 0.89 -0.45 0.04 0.00 -0.88 0.20 119.26 120.40 1vdx h ALA 20 Ca 0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1vdx h ALA 20 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1vdx h ALA 20 CO 0.02 0.65 0.22 1.96 0.00 0.00 0.00 179.25 182.10 1vdx h GLN 21 N 0.90 0.65 -0.85 0.00 4.20 -0.27 -1.16 115.11 118.57 1vdx h GLN 21 Ca 0.16 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1vdx h GLN 21 Cb 0.56 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1vdx h GLN 21 CO 0.03 0.56 0.47 0.22 -0.67 0.00 0.00 178.83 179.44 1vdx h ASP 22 N 0.59 1.05 -0.56 1.46 1.82 -0.56 -1.38 116.42 118.84 1vdx h ASP 22 Ca 0.15 -0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 56.65 1vdx h ASP 22 Cb 0.12 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 1vdx h ASP 22 CO -0.02 0.84 0.11 0.22 -1.61 0.00 0.00 179.24 178.78 1vdx h TYR 23 N 1.19 0.96 -0.75 0.28 3.20 -0.27 -2.52 116.97 119.06 1vdx h TYR 23 Ca 0.30 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1vdx h TYR 23 Cb 0.01 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 1vdx h TYR 23 CO 0.01 0.84 0.44 0.82 -1.64 0.00 0.00 178.16 178.63 1vdx h ILE 24 N 0.80 1.21 -0.46 1.81 2.04 -0.78 -3.48 117.51 118.66 1vdx h ILE 24 Ca 0.17 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1vdx h ILE 24 Cb 0.38 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1vdx h ILE 24 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.99 1vdx n GLY 25 N -1.17 0.51 0.13 5.37 0.00 -0.56 -4.54 105.19 104.94 1vdx n GLY 25 Ca 0.07 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.27 1vdx n GLY 25 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdx n SER 26 N -2.22 1.25 -0.07 1.61 7.64 -1.26 -4.79 113.62 115.78 1vdx n SER 26 Ca 0.00 -2.13 -0.12 0.00 1.01 0.00 0.00 58.87 57.63 1vdx n SER 26 Cb 0.00 -0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 62.92 1vdx n SER 26 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1vdx h LYS 27 N 0.00 0.00 0.00 1.43 1.79 -1.99 -3.35 116.57 114.45 1vdx h LYS 27 Ca 0.00 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.41 1vdx h LYS 27 Cb 0.95 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 1vdx h LYS 27 CO 0.00 0.83 -0.31 0.93 -1.08 0.00 0.00 179.45 179.83 1vdx h GLU 28 N -1.00 0.00 -2.40 3.15 3.07 -1.87 -3.41 114.58 112.13 1vdx h GLU 28 Ca -0.03 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1vdx h GLU 28 Cb 0.87 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.62 1vdx h GLU 28 CO -0.02 0.31 0.35 0.00 -1.40 0.00 0.00 179.01 178.25 1vdx s ALA 29 N -3.98 -1.75 -0.39 3.43 0.00 -1.26 -0.72 121.76 117.09 1vdx s ALA 29 Ca -0.02 0.95 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 1vdx s ALA 29 Cb 0.13 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1vdx s ALA 29 CO 0.67 -0.62 0.96 0.21 0.00 0.00 0.00 175.76 176.98 1vdx s LYS 30 N -2.78 3.80 -0.04 0.00 2.47 -0.77 -4.37 119.74 118.04 1vdx s LYS 30 Ca 0.00 0.55 0.03 0.00 -1.56 0.00 0.00 55.97 54.98 1vdx s LYS 30 Cb -0.01 -3.83 0.01 0.00 -1.46 0.00 0.00 37.83 32.54 1vdx s LYS 30 CO -0.06 -1.03 -0.11 0.42 0.16 0.00 0.00 175.35 174.73 1vdx s ILE 31 N 3.63 0.94 -0.49 5.43 1.01 -1.26 -0.79 121.20 129.67 1vdx s ILE 31 Ca 0.39 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.42 1vdx s ILE 31 Cb -0.11 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.55 1vdx s ILE 31 CO 0.21 0.29 0.71 -0.75 0.00 0.00 0.00 174.94 175.40 1vdx s LYS 32 N 0.36 3.23 0.38 2.79 2.47 -0.21 -4.91 119.74 123.85 1vdx s LYS 32 Ca -0.07 -0.54 -0.19 0.00 -1.56 0.00 0.00 55.97 53.61 1vdx s LYS 32 Cb -0.11 -4.03 -0.10 0.00 -1.46 0.00 0.00 37.83 32.13 1vdx s LYS 32 CO 0.01 -1.20 0.87 -0.06 0.16 0.00 0.00 175.35 175.14 1vdx s PHE 33 N 3.01 3.38 0.26 4.03 0.08 -1.26 -1.41 117.98 126.07 1vdx s PHE 33 Ca 0.22 1.48 -0.30 0.00 0.12 0.00 0.00 56.93 58.45 1vdx s PHE 33 Cb -0.16 -2.74 -0.09 0.00 -0.57 0.00 0.00 43.02 39.46 1vdx s PHE 33 CO 0.16 0.00 1.03 0.08 -0.10 0.00 0.00 175.22 176.40 1vdx s VAL 34 N -2.04 3.75 0.54 -0.44 1.01 -0.66 -4.96 120.40 117.60 1vdx s VAL 34 Ca 0.58 1.76 -0.21 0.00 0.00 0.00 0.00 61.98 64.11 1vdx s VAL 34 Cb -0.11 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1vdx s VAL 34 CO 0.16 0.42 1.21 -1.61 0.00 0.00 0.00 175.10 175.27 1vdx s GLU 35 N -1.33 3.30 0.27 2.72 0.41 -1.26 -4.88 118.70 117.92 1vdx s GLU 35 Ca 0.43 1.84 -0.03 0.00 -0.41 0.00 0.00 54.97 56.80 1vdx s GLU 35 Cb -0.29 -2.13 0.57 0.00 -1.78 0.00 0.00 34.13 30.50 1vdx s GLU 35 CO 0.37 -0.95 1.64 -0.09 -0.49 0.00 0.00 175.26 175.74 1vdx h ARG 36 N 1.37 0.15 0.00 1.61 2.43 -1.97 0.13 114.38 118.10 1vdx h ARG 36 Ca -0.50 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1vdx h ARG 36 Cb 1.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1vdx h ARG 36 CO 0.57 0.10 0.00 0.39 -1.51 0.00 0.00 179.97 179.52 1vdx n GLU 37 N -5.29 0.21 -0.09 0.20 4.71 -1.26 -3.14 120.64 115.96 1vdx n GLU 37 Ca 0.17 0.30 0.12 0.00 -0.01 0.00 0.00 57.16 57.74 1vdx n GLU 37 Cb 0.58 -1.81 0.20 0.00 -1.01 0.00 0.00 31.44 29.41 1vdx n GLU 37 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1vdx n ASN 38 N -2.18 3.02 -4.68 1.62 3.02 0.43 -4.91 115.26 111.58 1vdx n ASN 38 Ca 0.04 -1.94 -0.43 0.00 -0.03 0.00 0.00 54.58 52.22 1vdx n ASN 38 Cb 0.32 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1vdx n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vdx s LEU 39 N -1.73 4.23 0.00 3.41 1.43 -1.12 -4.90 118.68 120.00 1vdx s LEU 39 Ca 0.34 1.72 -0.10 0.00 -1.03 0.00 0.00 54.13 55.06 1vdx s LEU 39 Cb 0.21 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.92 1vdx s LEU 39 CO 0.31 -0.64 0.54 0.00 0.23 0.00 0.00 176.35 176.78 1vdx n HIS 40 N 5.77 -1.78 -3.81 0.29 1.44 -1.26 -4.35 115.22 111.52 1vdx n HIS 40 Ca 0.12 -1.15 -0.36 0.00 -2.01 0.00 0.00 57.72 54.31 1vdx n HIS 40 Cb 0.46 0.58 -0.13 0.00 0.12 0.00 0.00 29.99 31.01 1vdx n HIS 40 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1vdx s ILE 41 N -2.39 3.88 -0.19 0.61 1.01 -0.06 -4.27 121.20 119.78 1vdx s ILE 41 Ca 0.11 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 1vdx s ILE 41 Cb -0.03 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1vdx s ILE 41 CO 0.07 0.27 1.00 -0.89 0.00 0.00 0.00 174.94 175.40 1vdx s THR 42 N 1.53 4.74 -0.07 2.92 2.01 -1.25 -1.66 115.64 123.85 1vdx s THR 42 Ca 0.05 1.98 0.10 0.00 0.31 0.00 0.00 61.69 64.13 1vdx s THR 42 Cb -0.16 -4.29 -0.24 0.00 0.01 0.00 0.00 72.50 67.83 1vdx s THR 42 CO 0.01 -0.10 0.54 0.18 -0.69 0.00 0.00 174.62 174.56 1vdx n LEU 43 N 5.83 1.10 -3.27 4.42 4.77 0.96 -4.84 117.00 125.98 1vdx n LEU 43 Ca 0.10 0.33 0.03 0.00 -0.03 0.00 0.00 56.01 56.45 1vdx n LEU 43 Cb 0.47 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1vdx n LEU 43 CO 0.51 0.48 0.87 -0.75 -1.33 0.00 0.00 177.39 177.18 1vdx s LYS 44 N -2.58 0.08 0.00 3.23 2.20 -1.03 -4.90 119.74 116.74 1vdx s LYS 44 Ca -0.08 0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 1vdx s LYS 44 Cb 0.08 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 1vdx s LYS 44 CO 0.81 -0.03 1.17 -0.06 -0.36 0.00 0.00 175.35 176.88 1vdx s PHE 45 N 2.02 3.36 -2.15 4.03 0.08 -1.26 -1.18 117.98 122.87 1vdx s PHE 45 Ca -0.01 1.32 0.22 0.00 0.12 0.00 0.00 56.93 58.58 1vdx s PHE 45 Cb -0.02 -3.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1vdx s PHE 45 CO -0.16 -1.11 1.10 1.28 -0.10 0.00 0.00 175.22 176.23 1vdx n LEU 46 N 4.49 2.16 0.00 -0.37 4.77 0.51 -4.97 117.00 123.59 1vdx n LEU 46 Ca 0.09 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1vdx n LEU 46 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1vdx n LEU 46 CO 0.55 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1vdx n GLY 47 N 1.39 1.44 3.67 -0.72 0.00 -1.16 -4.56 105.19 105.26 1vdx n GLY 47 Ca 0.10 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1vdx n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vdx s GLU 48 N 0.00 4.31 0.06 1.61 2.56 -1.26 -1.60 118.70 124.38 1vdx s GLU 48 Ca 0.00 1.11 -0.00 0.00 0.00 0.00 0.00 54.97 56.08 1vdx s GLU 48 Cb 0.00 -3.58 -0.04 0.00 2.00 0.00 0.00 34.13 32.51 1vdx s GLU 48 CO 0.00 -0.36 -0.04 0.96 -0.56 0.00 0.00 175.26 175.26 1vdx s ILE 49 N 2.25 0.37 0.56 -3.70 -4.36 0.67 -4.92 121.20 112.08 1vdx s ILE 49 Ca 0.40 -1.81 -0.06 0.00 -0.26 0.00 0.00 60.65 58.93 1vdx s ILE 49 Cb -0.17 -1.51 -0.00 0.00 1.25 0.00 0.00 42.46 42.03 1vdx s ILE 49 CO 0.12 -0.93 0.87 0.42 0.24 0.00 0.00 174.94 175.66 1vdx s THR 50 N -3.70 4.00 0.23 8.37 -4.23 -1.26 0.52 115.64 119.58 1vdx s THR 50 Ca 0.07 0.07 -0.07 0.00 -1.18 0.00 0.00 61.69 60.58 1vdx s THR 50 Cb 0.06 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.55 1vdx s THR 50 CO -0.08 -0.58 1.90 -0.33 -0.54 0.00 0.00 174.62 175.00 1vdx h GLU 51 N -0.07 1.16 -0.76 3.99 4.39 -1.98 0.54 114.58 121.85 1vdx h GLU 51 Ca -0.46 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1vdx h GLU 51 Cb 1.24 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 1vdx h GLU 51 CO 0.61 0.77 0.43 1.49 -1.16 0.00 0.00 179.01 181.15 1vdx h GLU 52 N 1.19 1.05 -0.12 2.33 4.81 -2.00 -1.64 114.58 120.20 1vdx h GLU 52 Ca 0.34 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 1vdx h GLU 52 Cb -0.10 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.06 1vdx h GLU 52 CO -0.08 0.76 -0.55 1.96 -0.73 0.00 0.00 179.01 180.37 1vdx h GLN 53 N 1.04 0.35 -0.97 1.92 4.20 -1.80 -2.84 115.11 117.03 1vdx h GLN 53 Ca 0.27 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 58.85 1vdx h GLN 53 Cb 0.00 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.74 1vdx h GLN 53 CO -0.05 0.81 0.62 0.00 -0.67 0.00 0.00 178.83 179.55 1vdx h ALA 54 N 1.14 1.52 -0.18 3.87 0.00 -0.04 -1.55 119.26 124.02 1vdx h ALA 54 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1vdx h ALA 54 Cb 1.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vdx h ALA 54 CO 0.09 0.29 -0.29 0.93 0.00 0.00 0.00 179.25 180.27 1vdx h GLU 55 N 1.02 0.52 -0.75 0.00 4.39 -1.10 -2.56 114.58 116.11 1vdx h GLU 55 Ca 0.45 -0.31 0.07 0.00 0.34 0.00 0.00 59.36 59.90 1vdx h GLU 55 Cb 0.35 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.97 1vdx h GLU 55 CO -0.20 0.91 0.43 0.93 -1.16 0.00 0.00 179.01 179.92 1vdx h GLU 56 N 0.17 0.75 -0.50 2.33 5.08 -1.26 -2.01 114.58 119.14 1vdx h GLU 56 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1vdx h GLU 56 Cb 0.87 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1vdx h GLU 56 CO 0.07 0.50 0.25 0.82 -1.00 0.00 0.00 179.01 179.64 1vdx h ILE 57 N 0.77 1.19 -0.16 3.13 2.04 -1.28 -2.77 117.51 120.43 1vdx h ILE 57 Ca 0.34 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.74 1vdx h ILE 57 Cb 0.22 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1vdx h ILE 57 CO -0.20 0.20 -0.24 0.11 0.00 0.00 0.00 178.15 178.03 1vdx h LYS 58 N 0.66 -0.28 -0.46 2.37 1.57 -0.94 -0.06 116.57 119.43 1vdx h LYS 58 Ca 0.17 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.07 1vdx h LYS 58 Cb 0.10 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1vdx h LYS 58 CO -0.02 -0.19 0.32 -0.91 -0.57 0.00 0.00 179.45 178.08 1vdx h ASN 59 N -0.29 0.18 0.03 0.86 2.35 -1.31 -1.48 115.58 115.93 1vdx h ASN 59 Ca 0.11 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.71 1vdx h ASN 59 Cb 0.46 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.80 1vdx h ASN 59 CO -0.33 0.11 -0.62 0.40 -1.65 0.00 0.00 177.43 175.35 1vdx h ILE 60 N 0.21 1.46 -0.33 2.81 2.04 -0.96 -3.15 117.51 119.59 1vdx h ILE 60 Ca 0.21 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1vdx h ILE 60 Cb 0.58 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 1vdx h ILE 60 CO -0.04 0.63 0.22 -0.07 0.00 0.00 0.00 178.15 178.89 1vdx h LEU 61 N -0.20 0.38 -0.37 1.44 3.38 -0.44 -1.95 115.31 117.55 1vdx h LEU 61 Ca -0.09 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 1vdx h LEU 61 Cb 1.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1vdx h LEU 61 CO 0.12 0.27 -0.43 0.50 0.09 0.00 0.00 178.44 179.00 1vdx h LYS 62 N 0.44 0.93 0.00 1.13 3.11 -1.36 0.35 116.57 121.18 1vdx h LYS 62 Ca 0.12 -0.52 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 1vdx h LYS 62 Cb -0.05 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1vdx h LYS 62 CO -0.03 1.17 0.00 1.57 -2.81 0.00 0.00 179.45 179.35 1vdx h LYS 63 N 0.75 0.00 0.05 1.90 2.10 -1.35 -3.09 116.57 116.93 1vdx h LYS 63 Ca 0.05 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.36 1vdx h LYS 63 Cb 1.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.32 1vdx h LYS 63 CO 0.10 0.00 -1.92 -0.89 -2.00 0.00 0.00 179.45 174.74 1vdx n ILE 64 N -2.92 1.63 0.03 0.07 5.41 -0.79 -4.22 119.36 118.57 1vdx n ILE 64 Ca 0.02 -0.41 0.19 0.00 1.00 0.00 0.00 62.75 63.54 1vdx n ILE 64 Cb 0.35 -1.80 0.69 0.00 -0.71 0.00 0.00 39.64 38.16 1vdx n ILE 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vdx h ALA 65 N -0.26 2.43 0.00 -1.39 0.00 -0.31 -0.71 119.26 119.02 1vdx h ALA 65 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1vdx h ALA 65 Cb 1.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1vdx h ALA 65 CO -0.10 -0.57 -0.25 1.05 0.00 0.00 0.00 179.25 179.38 1vdx h GLU 66 N 0.00 0.00 -0.03 0.00 4.11 -1.73 -3.26 114.58 113.67 1vdx h GLU 66 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1vdx h GLU 66 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1vdx h GLU 66 CO -0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1vdx n LYS 67 N -2.56 1.14 -4.56 1.06 5.02 -0.27 -4.36 118.16 113.63 1vdx n LYS 67 Ca 0.04 -0.21 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 1vdx n LYS 67 Cb 0.48 -1.33 -0.15 0.00 -0.02 0.00 0.00 35.03 34.01 1vdx n LYS 67 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1vdx s TYR 68 N -1.96 1.20 0.22 2.13 1.51 -1.23 -5.03 117.35 114.17 1vdx s TYR 68 Ca 0.30 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.94 1vdx s TYR 68 Cb 0.14 -0.81 -0.08 0.00 -0.11 0.00 0.00 41.96 41.11 1vdx s TYR 68 CO 0.24 -0.09 0.60 0.21 -1.11 0.00 0.00 175.55 175.40 1vdx s LYS 69 N -0.01 3.95 0.47 -0.62 2.20 -1.26 -0.69 119.74 123.78 1vdx s LYS 69 Ca -0.01 0.49 -0.24 0.00 -0.36 0.00 0.00 55.97 55.86 1vdx s LYS 69 Cb -0.08 -2.74 -0.07 0.00 -1.51 0.00 0.00 37.83 33.43 1vdx s LYS 69 CO 0.01 0.36 1.38 0.15 -0.36 0.00 0.00 175.35 176.88 1vdx s LYS 70 N -2.44 3.57 0.16 4.03 1.02 -0.88 -4.85 119.74 120.35 1vdx s LYS 70 Ca 0.45 2.29 -0.14 0.00 0.02 0.00 0.00 55.97 58.59 1vdx s LYS 70 Cb -0.13 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 1vdx s LYS 70 CO 0.20 -0.87 0.40 -3.38 -0.92 0.00 0.00 175.35 170.78 1vdx s HIS 71 N -1.26 0.04 -0.08 3.18 -3.43 -1.13 -4.98 115.29 107.63 1vdx s HIS 71 Ca 0.64 -0.39 -0.10 0.00 -0.80 0.00 0.00 55.06 54.41 1vdx s HIS 71 Cb -0.41 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.89 1vdx s HIS 71 CO 0.52 -0.78 0.25 -2.00 -2.00 0.00 0.00 174.74 170.72 1vdx s GLU 72 N -3.88 3.67 0.26 -0.38 2.12 -1.26 -0.18 118.70 119.05 1vdx s GLU 72 Ca 0.10 0.08 0.09 0.00 0.36 0.00 0.00 54.97 55.59 1vdx s GLU 72 Cb 0.01 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.13 1vdx s GLU 72 CO -0.05 0.71 -0.14 0.14 -0.54 0.00 0.00 175.26 175.38 1vdx s VAL 73 N -0.94 2.00 -0.11 3.70 -7.23 -0.67 -4.93 120.40 112.23 1vdx s VAL 73 Ca 0.18 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1vdx s VAL 73 Cb -0.14 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.54 1vdx s VAL 73 CO 0.07 -0.44 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.45 1vdx s LYS 74 N -3.62 3.09 -0.37 4.82 2.20 -1.25 -2.26 119.74 122.36 1vdx s LYS 74 Ca 0.27 -0.85 -0.22 0.00 -0.36 0.00 0.00 55.97 54.81 1vdx s LYS 74 Cb -0.01 -2.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1vdx s LYS 74 CO 0.11 0.15 0.71 0.08 -0.36 0.00 0.00 175.35 176.05 1vdx s VAL 75 N 0.42 4.80 0.01 4.02 1.01 0.16 0.10 120.40 130.93 1vdx s VAL 75 Ca -0.16 0.71 -0.01 0.00 0.00 0.00 0.00 61.98 62.52 1vdx s VAL 75 Cb -0.17 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1vdx s VAL 75 CO 0.07 -0.39 -0.01 -0.75 0.00 0.00 0.00 175.10 174.02 1vdx s LYS 76 N 2.92 0.24 0.35 2.72 2.20 -0.54 -0.73 119.74 126.89 1vdx s LYS 76 Ca 0.28 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 1vdx s LYS 76 Cb -0.14 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.27 1vdx s LYS 76 CO 0.16 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 1vdx n GLY 77 N 2.00 -3.05 3.20 5.54 0.00 0.31 -2.31 105.19 110.88 1vdx n GLY 77 Ca -0.21 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1vdx n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vdx s ILE 78 N -3.72 2.16 0.31 -0.61 -1.09 -0.97 -2.32 121.20 114.96 1vdx s ILE 78 Ca 0.00 -0.96 0.11 0.00 -2.23 0.00 0.00 60.65 57.57 1vdx s ILE 78 Cb 0.00 -1.86 -0.06 0.00 -1.58 0.00 0.00 42.46 38.96 1vdx s ILE 78 CO 0.00 0.55 -0.16 -0.83 -1.23 0.00 0.00 174.94 173.27 1vdx s GLY 79 N 0.67 2.02 0.09 6.18 0.00 0.12 -4.64 107.32 111.77 1vdx s GLY 79 Ca -0.10 -1.97 0.08 0.00 0.00 0.00 0.00 44.72 42.72 1vdx s GLY 79 CO 0.01 -2.00 -0.20 -1.34 0.00 0.00 0.00 173.10 169.58 1vdx s VAL 80 N -2.55 1.60 -0.01 1.40 -7.23 -1.26 -1.36 120.40 110.99 1vdx s VAL 80 Ca 0.31 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1vdx s VAL 80 Cb -0.02 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 1vdx s VAL 80 CO 0.16 -0.07 -0.08 0.12 -0.31 0.00 0.00 175.10 174.92 1vdx s PHE 81 N -1.15 0.71 -0.04 2.82 2.19 -0.56 -4.43 117.98 117.53 1vdx s PHE 81 Ca 0.05 -0.14 -0.20 0.00 0.33 0.00 0.00 56.93 56.97 1vdx s PHE 81 Cb -0.10 -0.47 -0.13 0.00 -1.31 0.00 0.00 43.02 41.01 1vdx s PHE 81 CO 0.04 -0.02 0.84 -1.35 1.83 0.00 0.00 175.22 176.55 1vdx h PRO 82 N 6.03 -0.34 -5.81 10.12 0.11 -1.75 0.40 132.00 140.76 1vdx h PRO 82 Ca -0.30 0.02 -0.62 0.00 0.11 0.00 0.00 66.00 65.21 1vdx h PRO 82 Cb 1.18 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 32.24 1vdx h PRO 82 CO 0.50 -0.01 -0.62 -0.80 -0.21 0.00 0.00 178.00 176.86 1vdx s ASN 83 N -5.24 3.91 0.26 -2.05 -0.87 -0.57 -4.98 114.94 105.39 1vdx s ASN 83 Ca -0.11 -1.25 0.23 0.00 -1.57 0.00 0.00 52.86 50.16 1vdx s ASN 83 Cb 0.01 -0.40 0.99 0.00 -0.02 0.00 0.00 41.25 41.82 1vdx s ASN 83 CO 0.41 -0.36 1.70 -2.65 -2.57 0.00 0.00 177.10 173.63 1vdx n PRO 84 N -0.93 0.19 -0.01 -0.60 -0.02 -1.26 -1.90 135.00 130.46 1vdx n PRO 84 Ca -0.05 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 61.97 1vdx n PRO 84 Cb 0.65 -1.87 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 1vdx n PRO 84 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vdx n ASN 85 N -2.23 0.68 -3.66 2.55 4.13 -1.26 -4.62 115.26 110.86 1vdx n ASN 85 Ca 0.02 -0.38 -0.28 0.00 1.68 0.00 0.00 54.58 55.61 1vdx n ASN 85 Cb 0.21 1.53 -0.12 0.00 -1.54 0.00 0.00 39.78 39.87 1vdx n ASN 85 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1vdx s TYR 86 N -3.13 2.11 -0.28 3.10 5.04 -0.80 -5.10 117.35 118.29 1vdx s TYR 86 Ca -0.01 -2.62 -0.13 0.00 -2.44 0.00 0.00 57.07 51.86 1vdx s TYR 86 Cb 0.13 -1.78 -0.04 0.00 0.35 0.00 0.00 41.96 40.62 1vdx s TYR 86 CO 0.80 -0.73 0.28 0.42 -1.34 0.00 0.00 175.55 174.98 1vdx s ILE 87 N -0.22 5.24 0.00 3.14 1.01 -1.13 -1.52 121.20 127.72 1vdx s ILE 87 Ca 0.24 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1vdx s ILE 87 Cb -0.10 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1vdx s ILE 87 CO -0.11 0.17 0.00 -1.14 0.00 0.00 0.00 174.94 173.87 1vdx n ARG 88 N 5.20 0.06 -3.97 2.79 0.63 0.12 -4.73 116.66 116.77 1vdx n ARG 88 Ca -0.11 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.47 1vdx n ARG 88 Cb 0.51 -0.85 -0.15 0.00 0.45 0.00 0.00 32.46 32.43 1vdx n ARG 88 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1vdx s VAL 89 N -1.69 2.97 -0.23 5.15 1.01 0.12 -0.13 120.40 127.60 1vdx s VAL 89 Ca 0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 1vdx s VAL 89 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1vdx s VAL 89 CO 0.00 0.41 0.33 -0.63 0.00 0.00 0.00 175.10 175.20 1vdx s ILE 90 N 1.41 5.24 0.06 2.22 -1.09 0.48 -1.49 121.20 128.02 1vdx s ILE 90 Ca 0.05 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1vdx s ILE 90 Cb -0.14 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1vdx s ILE 90 CO -0.06 0.25 -0.05 -1.66 -1.23 0.00 0.00 174.94 172.19 1vdx s TRP 91 N 1.47 0.63 -0.14 3.97 1.48 -0.46 -0.04 118.94 125.85 1vdx s TRP 91 Ca 0.15 -0.90 -0.05 0.00 -1.06 0.00 0.00 56.10 54.23 1vdx s TRP 91 Cb -0.15 -0.41 -0.04 0.00 -1.16 0.00 0.00 33.47 31.71 1vdx s TRP 91 CO 0.08 -0.25 0.04 0.00 -4.06 0.00 0.00 176.95 172.76 1vdx s ALA 92 N -3.31 3.38 0.79 2.67 0.00 -0.43 0.16 121.76 125.01 1vdx s ALA 92 Ca 0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 1vdx s ALA 92 Cb 0.03 -1.75 0.15 0.00 0.00 0.00 0.00 23.12 21.55 1vdx s ALA 92 CO -0.06 0.35 1.09 0.20 0.00 0.00 0.00 175.76 177.34 1vdx s GLY 93 N -0.16 1.76 -0.10 0.00 0.00 -0.98 -0.73 107.32 107.12 1vdx s GLY 93 Ca 0.06 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1vdx s GLY 93 CO 0.02 -0.93 -0.17 -0.42 0.00 0.00 0.00 173.10 171.59 1vdx s ILE 94 N -3.36 1.60 -0.54 0.90 -1.09 -1.24 -1.46 121.20 116.01 1vdx s ILE 94 Ca 0.68 -0.72 -0.28 0.00 -2.23 0.00 0.00 60.65 58.10 1vdx s ILE 94 Cb -0.05 -1.44 0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1vdx s ILE 94 CO 0.47 0.46 1.50 -0.70 -1.23 0.00 0.00 174.94 175.44 1vdx s GLU 95 N 0.78 3.24 -0.09 2.79 2.12 0.29 -4.25 118.70 123.58 1vdx s GLU 95 Ca -0.10 0.58 -0.06 0.00 0.36 0.00 0.00 54.97 55.74 1vdx s GLU 95 Cb -0.16 -4.16 0.02 0.00 0.26 0.00 0.00 34.13 30.10 1vdx s GLU 95 CO 0.01 -2.01 0.13 -1.71 -0.54 0.00 0.00 175.26 171.15 1vdx n ASN 96 N 9.97 -4.25 -0.76 -1.70 5.15 -1.26 -3.82 115.26 118.59 1vdx n ASN 96 Ca 0.14 1.46 0.06 0.00 -0.60 0.00 0.00 54.58 55.64 1vdx n ASN 96 Cb 0.49 -4.92 0.15 0.00 -0.53 0.00 0.00 39.78 34.97 1vdx n ASN 96 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1vdx n ASP 97 N 1.63 1.53 -0.24 1.20 5.75 -1.26 -4.80 116.55 120.35 1vdx n ASP 97 Ca -0.22 -3.26 -0.07 0.00 -0.01 0.00 0.00 54.79 51.23 1vdx n ASP 97 Cb 0.34 -0.45 0.04 0.00 -1.03 0.00 0.00 41.12 40.02 1vdx n ASP 97 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1vdx h GLU 98 N 0.84 1.03 -0.41 0.11 5.08 -1.95 2.27 114.58 121.55 1vdx h GLU 98 Ca -0.06 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 1vdx h GLU 98 Cb 1.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1vdx h GLU 98 CO 0.02 0.90 -0.18 0.82 -1.00 0.00 0.00 179.01 179.58 1vdx h ILE 99 N 0.96 1.27 -0.36 3.13 2.04 -1.98 0.45 117.51 123.02 1vdx h ILE 99 Ca 0.21 -1.27 -0.15 0.00 1.00 0.00 0.00 64.86 64.65 1vdx h ILE 99 Cb 0.31 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1vdx h ILE 99 CO -0.00 0.43 -0.37 0.40 0.00 0.00 0.00 178.15 178.61 1vdx h ILE 100 N 0.69 1.28 -0.72 -0.67 2.04 -1.75 -1.00 117.51 117.38 1vdx h ILE 100 Ca 0.10 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.36 1vdx h ILE 100 Cb 0.68 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1vdx h ILE 100 CO 0.05 0.51 0.19 -0.09 0.00 0.00 0.00 178.15 178.81 1vdx h ARG 101 N 0.68 1.15 -0.41 2.37 2.43 0.42 -0.86 114.38 120.16 1vdx h ARG 101 Ca 0.06 -0.27 -0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1vdx h ARG 101 Cb 0.96 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1vdx h ARG 101 CO 0.09 1.00 -0.27 1.49 -1.51 0.00 0.00 179.97 180.77 1vdx h GLU 102 N 1.09 0.86 -0.19 0.20 4.57 0.08 -2.30 114.58 118.89 1vdx h GLU 102 Ca 0.23 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 1vdx h GLU 102 Cb 0.36 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1vdx h GLU 102 CO 0.00 1.02 0.09 0.52 -1.18 0.00 0.00 179.01 179.46 1vdx h MET 103 N 0.74 0.28 -0.93 1.92 2.86 -0.82 -2.32 114.93 116.66 1vdx h MET 103 Ca 0.09 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1vdx h MET 103 Cb 0.82 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 1vdx h MET 103 CO 0.07 0.32 0.60 0.00 1.06 0.00 0.00 176.91 178.96 1vdx h ALA 104 N 0.94 1.51 -0.36 6.32 0.00 -1.00 -0.37 119.26 126.30 1vdx h ALA 104 Ca 0.07 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1vdx h ALA 104 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1vdx h ALA 104 CO -0.01 0.34 -0.11 -0.09 0.00 0.00 0.00 179.25 179.39 1vdx h ARG 105 N 1.04 0.71 -0.18 0.00 2.43 -1.25 -0.23 114.38 116.91 1vdx h ARG 105 Ca 0.41 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1vdx h ARG 105 Cb 0.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1vdx h ARG 105 CO -0.16 0.88 -0.25 1.49 -1.51 0.00 0.00 179.97 180.41 1vdx h GLU 106 N 0.51 0.32 -0.12 0.20 4.81 -0.84 -0.57 114.58 118.89 1vdx h GLU 106 Ca 0.09 -0.11 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 1vdx h GLU 106 Cb 0.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1vdx h GLU 106 CO 0.04 0.56 -0.76 0.82 -0.73 0.00 0.00 179.01 178.94 1vdx h ILE 107 N 0.29 1.32 -0.21 2.32 2.04 -0.92 -2.44 117.51 119.91 1vdx h ILE 107 Ca 0.05 -2.05 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 1vdx h ILE 107 Cb 0.60 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1vdx h ILE 107 CO 0.04 0.63 -0.02 -0.08 0.00 0.00 0.00 178.15 178.72 1vdx h GLU 108 N 0.42 0.40 -0.24 2.37 4.81 -0.66 -1.39 114.58 120.29 1vdx h GLU 108 Ca -0.04 -0.14 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 1vdx h GLU 108 Cb 1.36 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.71 1vdx h GLU 108 CO 0.15 0.61 -0.53 -0.44 -0.73 0.00 0.00 179.01 178.07 1vdx h ASP 109 N 0.14 0.76 -0.44 1.04 3.32 -1.19 -1.73 116.42 118.33 1vdx h ASP 109 Ca 0.06 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 1vdx h ASP 109 Cb 0.45 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1vdx h ASP 109 CO 0.02 1.14 0.05 -0.33 -1.72 0.00 0.00 179.24 178.40 1vdx h GLU 110 N 0.54 0.74 0.00 3.56 4.39 -1.40 -2.77 114.58 119.63 1vdx h GLU 110 Ca 0.02 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1vdx h GLU 110 Cb 1.09 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1vdx h GLU 110 CO 0.11 0.78 0.00 -0.07 -1.16 0.00 0.00 179.01 178.67 1vdx h LEU 111 N 0.59 0.00 -1.48 1.33 3.38 -1.25 -2.92 115.31 114.96 1vdx h LEU 111 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1vdx h LEU 111 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1vdx h LEU 111 CO 0.01 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 178.33 1vdx h ALA 112 N 2.15 1.57 -0.15 1.53 0.00 -1.01 -1.42 119.26 121.92 1vdx h ALA 112 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1vdx h ALA 112 Cb 0.74 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1vdx h ALA 112 CO 0.00 0.32 0.04 0.87 0.00 0.00 0.00 179.25 180.48 1vdx h LYS 113 N 0.06 0.21 -0.17 0.00 1.57 -1.48 -1.55 116.57 115.21 1vdx h LYS 113 Ca 0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1vdx h LYS 113 Cb 0.42 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1vdx h LYS 113 CO 0.03 0.20 0.00 1.28 -0.57 0.00 0.00 179.45 180.39 1vdx n LEU 114 N -4.45 1.30 0.00 2.94 4.77 -0.60 -4.87 117.00 116.10 1vdx n LEU 114 Ca -0.01 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1vdx n LEU 114 Cb 0.13 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1vdx n LEU 114 CO 0.35 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1vdx n GLY 115 N 1.00 0.92 3.74 -0.72 0.00 -0.58 -5.07 105.19 104.47 1vdx n GLY 115 Ca 0.13 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1vdx n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vdx s PHE 116 N -2.00 3.66 0.28 1.61 0.08 -0.82 -5.00 117.98 115.79 1vdx s PHE 116 Ca 0.00 1.34 -0.29 0.00 0.12 0.00 0.00 56.93 58.09 1vdx s PHE 116 Cb 0.00 -2.78 -0.10 0.00 -0.57 0.00 0.00 43.02 39.58 1vdx s PHE 116 CO 0.00 0.21 1.15 0.21 -0.10 0.00 0.00 175.22 176.69 1vdx s LYS 117 N 0.29 4.57 1.00 0.44 2.20 -1.26 -4.05 119.74 122.92 1vdx s LYS 117 Ca 0.37 1.89 -0.17 0.00 -0.36 0.00 0.00 55.97 57.70 1vdx s LYS 117 Cb -0.19 -3.17 0.24 0.00 -1.51 0.00 0.00 37.83 33.19 1vdx s LYS 117 CO 0.20 0.10 1.19 1.63 -0.36 0.00 0.00 175.35 178.11 1vdx n LYS 118 N 1.29 -1.79 -4.34 4.03 5.02 -1.26 -4.98 118.16 116.13 1vdx n LYS 118 Ca -0.00 -1.85 -0.17 0.00 -2.02 0.00 0.00 58.31 54.26 1vdx n LYS 118 Cb 0.44 -1.37 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1vdx n LYS 118 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vdx s GLU 119 N -5.63 1.43 1.14 1.97 0.41 -1.26 -5.14 118.70 111.63 1vdx s GLU 119 Ca 0.70 -1.77 -0.14 0.00 -0.41 0.00 0.00 54.97 53.35 1vdx s GLU 119 Cb -0.03 -0.43 0.23 0.00 -1.78 0.00 0.00 34.13 32.12 1vdx s GLU 119 CO 0.50 -0.24 0.75 0.41 -0.49 0.00 0.00 175.26 176.20 1vdx n GLY 120 N -0.49 -2.05 3.66 -1.39 0.00 -1.26 -4.74 105.19 98.92 1vdx n GLY 120 Ca -0.01 -1.04 -0.61 0.00 0.00 0.00 0.00 46.02 44.36 1vdx n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vdx n ASN 121 N -3.99 1.35 -4.71 1.61 6.94 -1.26 -4.82 115.26 110.37 1vdx n ASN 121 Ca 0.03 1.14 -0.42 0.00 -0.02 0.00 0.00 54.58 55.31 1vdx n ASN 121 Cb 0.56 -1.01 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 1vdx n ASN 121 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1vdx s PHE 122 N 2.10 3.45 -0.21 -2.53 5.36 -1.26 -5.02 117.98 119.87 1vdx s PHE 122 Ca 0.97 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 58.30 1vdx s PHE 122 Cb -1.24 -3.38 0.05 0.00 -0.34 0.00 0.00 43.02 38.11 1vdx s PHE 122 CO 0.66 -1.10 -0.10 0.08 -1.46 0.00 0.00 175.22 173.30 1vdx s VAL 123 N 1.16 1.72 0.03 3.12 1.01 -1.26 -5.03 120.40 121.15 1vdx s VAL 123 Ca 0.57 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1vdx s VAL 123 Cb -0.28 -1.82 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1vdx s VAL 123 CO 0.28 0.11 1.91 0.00 0.00 0.00 0.00 175.10 177.40 1vdx s ALA 124 N 1.35 3.61 0.15 5.51 0.00 -1.26 -4.93 121.76 126.18 1vdx s ALA 124 Ca -0.03 1.28 -0.21 0.00 0.00 0.00 0.00 51.96 53.01 1vdx s ALA 124 Cb -0.17 -3.82 0.06 0.00 0.00 0.00 0.00 23.12 19.19 1vdx s ALA 124 CO -0.08 -1.51 0.54 -3.38 0.00 0.00 0.00 175.76 171.34 1vdx s HIS 125 N 4.21 -0.44 -0.35 0.00 -3.43 -1.26 -3.59 115.29 110.43 1vdx s HIS 125 Ca 0.85 0.20 0.03 0.00 -0.80 0.00 0.00 55.06 55.34 1vdx s HIS 125 Cb -0.42 0.47 0.10 0.00 -1.43 0.00 0.00 32.58 31.30 1vdx s HIS 125 CO 0.39 -0.80 0.07 0.42 -2.00 0.00 0.00 174.74 172.82 1vdx s ILE 126 N -3.73 2.47 0.22 -5.38 1.01 0.09 -3.92 121.20 111.96 1vdx s ILE 126 Ca 0.01 -2.26 -0.31 0.00 0.00 0.00 0.00 60.65 58.09 1vdx s ILE 126 Cb -0.00 -2.78 -0.11 0.00 0.01 0.00 0.00 42.46 39.57 1vdx s ILE 126 CO -0.12 -0.59 1.66 -0.89 0.00 0.00 0.00 174.94 174.99 1vdx s THR 127 N 0.95 2.13 -0.15 2.92 2.01 -1.26 -1.32 115.64 120.92 1vdx s THR 127 Ca 0.10 0.10 0.18 0.00 0.31 0.00 0.00 61.69 62.38 1vdx s THR 127 Cb -0.20 -3.06 -0.26 0.00 0.01 0.00 0.00 72.50 68.99 1vdx s THR 127 CO -0.07 0.01 0.23 0.18 -0.69 0.00 0.00 174.62 174.27 1vdx n LEU 128 N 3.48 0.10 -3.59 4.42 4.77 0.95 -4.81 117.00 122.31 1vdx n LEU 128 Ca 0.13 0.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1vdx n LEU 128 Cb 0.36 0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 41.81 1vdx n LEU 128 CO 0.63 0.38 1.15 -0.83 -1.33 0.00 0.00 177.39 177.39 1vdx s GLY 129 N -5.25 -0.42 -0.07 -0.72 0.00 -0.89 -1.65 107.32 98.33 1vdx s GLY 129 Ca -0.09 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.73 1vdx s GLY 129 CO 0.84 0.26 -0.15 0.50 0.00 0.00 0.00 173.10 174.55 1vdx s ARG 130 N -2.18 1.93 -0.16 2.90 0.52 -0.50 -0.38 118.95 121.08 1vdx s ARG 130 Ca 0.14 -0.53 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 1vdx s ARG 130 Cb 0.05 -1.58 -0.00 0.00 0.52 0.00 0.00 34.95 33.94 1vdx s ARG 130 CO -0.05 0.10 1.02 0.08 0.02 0.00 0.00 175.30 176.47 1vdx s VAL 131 N 0.45 4.74 0.07 3.52 1.01 0.82 -1.05 120.40 129.96 1vdx s VAL 131 Ca -0.13 2.03 0.08 0.00 0.00 0.00 0.00 61.98 63.96 1vdx s VAL 131 Cb -0.15 -4.31 -0.22 0.00 0.00 0.00 0.00 36.38 31.70 1vdx s VAL 131 CO 0.04 -0.08 1.09 0.11 0.00 0.00 0.00 175.10 176.27 1vdx h LYS 132 N 7.26 0.02 -1.07 2.72 1.57 -1.29 -3.45 116.57 122.33 1vdx h LYS 132 Ca -0.25 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.71 1vdx h LYS 132 Cb 1.11 0.01 -0.30 0.00 0.08 0.00 0.00 32.23 33.13 1vdx h LYS 132 CO 0.91 0.88 0.91 -0.59 -0.57 0.00 0.00 179.45 180.99 1vdx s PHE 133 N -2.67 -0.05 0.14 -1.35 -0.12 -1.24 -5.04 117.98 107.65 1vdx s PHE 133 Ca -0.01 0.11 -0.22 0.00 -0.05 0.00 0.00 56.93 56.77 1vdx s PHE 133 Cb 0.09 0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.90 1vdx s PHE 133 CO 0.82 -0.04 0.68 0.08 -0.05 0.00 0.00 175.22 176.72 1vdx s VAL 134 N -0.50 4.55 -0.20 -2.49 1.01 -1.26 -1.85 120.40 119.66 1vdx s VAL 134 Ca 0.08 1.42 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 1vdx s VAL 134 Cb -0.03 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1vdx s VAL 134 CO -0.12 0.47 -0.34 0.29 0.00 0.00 0.00 175.10 175.40 1vdx n LYS 135 N 1.45 0.53 -3.85 2.72 5.02 0.10 -4.89 118.16 119.25 1vdx n LYS 135 Ca -0.07 0.22 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 1vdx n LYS 135 Cb 0.50 -1.42 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 1vdx n LYS 135 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1vdx s ASP 136 N -6.35 4.29 0.15 4.39 2.15 -0.28 -5.02 116.67 116.01 1vdx s ASP 136 Ca -0.31 -1.96 -0.17 0.00 0.43 0.00 0.00 52.55 50.54 1vdx s ASP 136 Cb 0.07 -1.19 0.04 0.00 -0.30 0.00 0.00 42.92 41.54 1vdx s ASP 136 CO 0.44 -0.38 1.74 0.50 -0.17 0.00 0.00 175.17 177.29 1vdx h LYS 137 N 7.74 0.20 -0.76 4.34 3.64 -1.90 -1.43 116.57 128.40 1vdx h LYS 137 Ca -0.09 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1vdx h LYS 137 Cb 1.01 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 1vdx h LYS 137 CO 0.50 0.13 0.41 1.25 -2.27 0.00 0.00 179.45 179.47 1vdx h LEU 138 N 0.20 0.57 0.19 5.20 5.85 -1.96 -1.60 115.31 123.76 1vdx h LEU 138 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1vdx h LEU 138 Cb 0.14 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1vdx h LEU 138 CO -0.18 0.33 -0.09 1.23 -0.34 0.00 0.00 178.44 179.39 1vdx h GLY 139 N 0.70 -0.27 0.73 3.75 0.00 -1.80 -1.70 103.07 104.48 1vdx h GLY 139 Ca 0.37 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1vdx h GLY 139 CO -0.25 -0.10 -0.40 -2.00 0.00 0.00 0.00 176.54 173.79 1vdx h LEU 140 N -0.33 -1.05 -0.94 3.11 5.85 -0.99 0.24 115.31 121.19 1vdx h LEU 140 Ca -0.03 0.07 0.17 0.00 0.84 0.00 0.00 57.88 58.94 1vdx h LEU 140 Cb 0.26 0.33 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 1vdx h LEU 140 CO 0.04 -0.59 0.54 0.74 -0.34 0.00 0.00 178.44 178.83 1vdx h THR 141 N -0.92 0.71 -0.04 1.05 2.02 -1.35 0.45 112.91 114.84 1vdx h THR 141 Ca -0.06 -0.24 -0.23 0.00 0.77 0.00 0.00 66.41 66.64 1vdx h THR 141 Cb 0.77 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1vdx h THR 141 CO 0.02 0.13 -0.92 0.24 0.37 0.00 0.00 175.52 175.36 1vdx h MET 142 N 0.71 0.57 -0.10 6.66 2.86 -1.06 -1.02 114.93 123.55 1vdx h MET 142 Ca 0.53 -0.56 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1vdx h MET 142 Cb 0.80 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1vdx h MET 142 CO -0.38 1.18 0.05 -0.22 1.06 0.00 0.00 176.91 178.61 1vdx h LYS 143 N 0.34 0.15 -0.37 1.72 1.63 0.82 -2.36 116.57 118.50 1vdx h LYS 143 Ca -0.08 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.59 1vdx h LYS 143 Cb 1.55 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.14 1vdx h LYS 143 CO 0.17 0.23 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.16 1vdx h LEU 144 N 0.04 0.69 -1.53 5.20 3.38 -0.18 -2.66 115.31 120.25 1vdx h LEU 144 Ca 0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1vdx h LEU 144 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1vdx h LEU 144 CO -0.00 0.87 -0.25 0.11 0.09 0.00 0.00 178.44 179.26 1vdx h LYS 145 N 0.62 0.00 0.00 1.13 1.57 -1.07 -1.00 116.57 117.83 1vdx h LYS 145 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1vdx h LYS 145 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1vdx h LYS 145 CO 0.04 0.25 0.00 -1.91 -0.57 0.00 0.00 179.45 177.26 1vdx n GLU 146 N -4.04 0.16 -0.10 3.15 4.07 -0.90 -1.98 120.64 121.00 1vdx n GLU 146 Ca -0.02 0.13 0.04 0.00 -0.06 0.00 0.00 57.16 57.25 1vdx n GLU 146 Cb 0.31 -1.50 0.10 0.00 -0.06 0.00 0.00 31.44 30.29 1vdx n GLU 146 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1vdx n LEU 147 N -1.38 2.47 -0.23 4.31 4.77 -0.40 -4.79 117.00 121.75 1vdx n LEU 147 Ca 0.07 -1.80 0.01 0.00 -0.03 0.00 0.00 56.01 54.27 1vdx n LEU 147 Cb 0.19 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.24 1vdx n LEU 147 CO 0.16 0.60 0.76 0.00 -1.33 0.00 0.00 177.39 177.58 1vdx h ALA 148 N 1.49 0.53 -0.38 -1.18 0.00 -1.09 -2.71 119.26 115.92 1vdx h ALA 148 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vdx h ALA 148 Cb 0.60 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vdx h ALA 148 CO 0.00 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 178.92 1vdx n ASN 149 N -5.42 3.35 -4.57 0.00 3.02 -1.26 -2.30 115.26 108.07 1vdx n ASN 149 Ca 0.10 -2.24 -0.49 0.00 -0.03 0.00 0.00 54.58 51.92 1vdx n ASN 149 Cb 0.37 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 1vdx n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1vdx n GLU 150 N 0.45 1.09 -3.49 3.52 -0.58 -1.04 -4.19 120.64 116.40 1vdx n GLU 150 Ca 0.16 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.86 1vdx n GLU 150 Cb 0.57 -1.87 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 1vdx n GLU 150 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vdx s ASP 151 N -0.02 5.94 0.02 1.62 2.15 -1.26 0.11 116.67 125.23 1vdx s ASP 151 Ca 0.74 -1.26 0.26 0.00 0.43 0.00 0.00 52.55 52.71 1vdx s ASP 151 Cb -0.87 -2.10 0.60 0.00 -0.30 0.00 0.00 42.92 40.25 1vdx s ASP 151 CO 0.52 -0.55 1.49 0.49 -0.17 0.00 0.00 175.17 176.95 1vdx n PHE 152 N 5.09 0.10 0.00 -5.34 3.72 0.09 -5.01 117.46 116.10 1vdx n PHE 152 Ca -0.12 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1vdx n PHE 152 Cb 0.44 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1vdx n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1vdx n GLY 153 N 1.47 0.58 3.15 1.37 0.00 -1.22 -4.68 105.19 105.86 1vdx n GLY 153 Ca 0.05 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 1vdx n GLY 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdx s SER 154 N -3.26 0.34 0.27 1.61 1.04 -1.26 0.36 113.70 112.79 1vdx s SER 154 Ca 0.00 -0.99 -0.02 0.00 0.48 0.00 0.00 55.95 55.42 1vdx s SER 154 Cb 0.00 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 1vdx s SER 154 CO 0.00 -0.69 0.30 0.72 0.98 0.00 0.00 173.24 174.56 1vdx s PHE 155 N -3.95 1.11 -0.30 5.02 -0.71 -0.96 -4.69 117.98 113.49 1vdx s PHE 155 Ca 0.12 -1.29 -0.09 0.00 -1.04 0.00 0.00 56.93 54.62 1vdx s PHE 155 Cb 0.07 -0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 41.52 1vdx s PHE 155 CO -0.06 -0.86 0.15 0.08 -1.34 0.00 0.00 175.22 173.18 1vdx s VAL 156 N -3.74 4.61 -0.42 -2.49 1.01 -1.26 -1.66 120.40 116.44 1vdx s VAL 156 Ca 0.34 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1vdx s VAL 156 Cb 0.03 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1vdx s VAL 156 CO 0.16 0.10 1.82 -0.69 0.00 0.00 0.00 175.10 176.49 1vdx s VAL 157 N 1.62 3.45 0.00 2.92 1.01 0.75 -4.72 120.40 125.43 1vdx s VAL 157 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1vdx s VAL 157 Cb -0.17 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1vdx s VAL 157 CO 0.06 -0.56 0.05 -0.90 0.00 0.00 0.00 175.10 173.75 1vdx n ASP 158 N 11.13 0.10 -3.75 3.32 5.75 -1.26 -2.82 116.55 129.01 1vdx n ASP 158 Ca 0.22 -0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 54.44 1vdx n ASP 158 Cb 0.49 0.67 -0.04 0.00 -1.03 0.00 0.00 41.12 41.21 1vdx n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vdx s ALA 159 N -0.67 -0.80 -0.06 2.12 0.00 -1.26 0.19 121.76 121.28 1vdx s ALA 159 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 1vdx s ALA 159 Cb 0.00 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.95 1vdx s ALA 159 CO 0.00 -0.75 -0.19 -1.50 0.00 0.00 0.00 175.76 173.31 1vdx s ILE 160 N -3.88 1.61 0.02 0.00 2.07 0.09 -4.59 121.20 116.52 1vdx s ILE 160 Ca 0.09 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.61 1vdx s ILE 160 Cb 0.00 -1.39 -0.02 0.00 0.13 0.00 0.00 42.46 41.18 1vdx s ILE 160 CO -0.04 0.46 -0.21 -1.61 -1.91 0.00 0.00 174.94 171.63 1vdx s GLU 161 N 0.15 1.54 -0.24 3.50 2.02 0.15 -0.34 118.70 125.48 1vdx s GLU 161 Ca -0.08 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 1vdx s GLU 161 Cb -0.14 -1.59 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 1vdx s GLU 161 CO 0.04 0.42 0.18 -1.17 0.02 0.00 0.00 175.26 174.75 1vdx s LEU 162 N -0.90 4.11 0.15 1.80 2.96 -0.68 0.03 118.68 126.15 1vdx s LEU 162 Ca 0.08 0.13 0.08 0.00 -0.22 0.00 0.00 54.13 54.19 1vdx s LEU 162 Cb -0.09 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 1vdx s LEU 162 CO 0.01 0.04 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.36 1vdx s LYS 163 N 1.17 1.20 -0.13 1.98 1.02 0.22 -0.94 119.74 124.25 1vdx s LYS 163 Ca 0.08 -1.34 -0.01 0.00 0.02 0.00 0.00 55.97 54.72 1vdx s LYS 163 Cb -0.14 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1vdx s LYS 163 CO 0.05 0.25 -0.09 0.21 -0.92 0.00 0.00 175.35 174.86 1vdx s LYS 164 N -2.65 3.41 -0.09 1.68 2.20 -0.12 -0.39 119.74 123.79 1vdx s LYS 164 Ca 0.13 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 1vdx s LYS 164 Cb -0.06 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.50 1vdx s LYS 164 CO 0.05 0.28 -0.09 0.45 -0.36 0.00 0.00 175.35 175.69 1vdx s SER 165 N 0.21 4.44 -0.14 1.43 0.15 -0.37 -0.63 113.70 118.79 1vdx s SER 165 Ca -0.05 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.48 1vdx s SER 165 Cb -0.15 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.91 1vdx s SER 165 CO 0.04 0.30 -0.14 -0.89 1.20 0.00 0.00 173.24 173.74 1vdx s THR 166 N -0.42 1.56 -0.15 6.45 2.01 0.08 -4.19 115.64 120.97 1vdx s THR 166 Ca 0.06 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 61.16 1vdx s THR 166 Cb -0.12 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 1vdx s THR 166 CO 0.02 0.46 0.84 -0.76 -0.69 0.00 0.00 174.62 174.49 1vdx s LEU 167 N 1.36 4.20 0.13 4.42 1.43 -1.26 -0.05 118.68 128.91 1vdx s LEU 167 Ca 0.02 1.22 0.10 0.00 -1.03 0.00 0.00 54.13 54.44 1vdx s LEU 167 Cb -0.13 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1vdx s LEU 167 CO -0.08 -0.38 -0.24 -0.89 0.23 0.00 0.00 176.35 174.98 1vdx s THR 168 N 2.02 2.09 0.00 5.49 2.01 -1.09 -4.97 115.64 121.19 1vdx s THR 168 Ca 0.40 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.66 1vdx s THR 168 Cb -0.17 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.47 1vdx s THR 168 CO 0.14 0.00 0.00 -2.65 -0.69 0.00 0.00 174.62 171.42 1vdx n PRO 169 N 0.87 0.00 0.00 4.92 -0.02 -1.26 -1.34 135.00 138.17 1vdx n PRO 169 Ca -0.18 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1vdx n PRO 169 Cb 0.54 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.14 1vdx n PRO 169 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1vdx n LYS 170 N -1.08 0.87 -3.62 -0.52 4.81 -1.26 -4.98 118.16 112.38 1vdx n LYS 170 Ca 0.00 -0.65 -0.14 0.00 -0.87 0.00 0.00 58.31 56.64 1vdx n LYS 170 Cb 0.00 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.49 1vdx n LYS 170 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1vdx s GLY 171 N -2.58 -0.52 0.09 3.14 0.00 -0.45 -5.13 107.32 101.86 1vdx s GLY 171 Ca 0.19 1.99 -0.30 0.00 0.00 0.00 0.00 44.72 46.60 1vdx s GLY 171 CO 0.60 1.68 1.12 -4.14 0.00 0.00 0.00 173.10 172.36 1vdx s PRO 172 N 0.22 4.51 -0.20 2.90 0.02 -1.26 -2.66 135.00 138.53 1vdx s PRO 172 Ca -0.01 1.68 -0.07 0.00 0.02 0.00 0.00 61.00 62.62 1vdx s PRO 172 Cb -0.05 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 1vdx s PRO 172 CO 0.02 -0.11 0.07 -1.50 -0.33 0.00 0.00 177.00 175.14 1vdx s ILE 173 N 0.64 4.70 -0.01 2.83 2.07 0.93 -4.91 121.20 127.45 1vdx s ILE 173 Ca 0.54 -0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.70 1vdx s ILE 173 Cb -0.28 -3.14 -0.04 0.00 0.13 0.00 0.00 42.46 39.13 1vdx s ILE 173 CO 0.31 0.43 0.17 -0.31 -1.91 0.00 0.00 174.94 173.63 1vdx s TYR 174 N 0.66 3.52 -0.05 3.50 2.02 -1.26 -0.74 117.35 125.00 1vdx s TYR 174 Ca 0.03 0.35 0.01 0.00 -0.37 0.00 0.00 57.07 57.09 1vdx s TYR 174 Cb -0.13 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1vdx s TYR 174 CO 0.02 0.64 -0.04 -1.21 -1.57 0.00 0.00 175.55 173.39 1vdx s GLU 175 N -1.90 0.77 -0.20 -0.62 2.02 0.20 -4.99 118.70 113.99 1vdx s GLU 175 Ca 0.27 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 1vdx s GLU 175 Cb -0.13 -0.84 0.00 0.00 0.10 0.00 0.00 34.13 33.27 1vdx s GLU 175 CO 0.18 -0.11 1.07 0.99 0.02 0.00 0.00 175.26 177.41 1vdx s THR 176 N 1.06 4.62 -0.10 3.63 2.01 -1.26 -0.94 115.64 124.66 1vdx s THR 176 Ca -0.09 1.95 0.16 0.00 0.31 0.00 0.00 61.69 64.01 1vdx s THR 176 Cb -0.14 -4.26 -0.15 0.00 0.01 0.00 0.00 72.50 67.96 1vdx s THR 176 CO -0.01 -0.14 0.81 -0.07 -0.69 0.00 0.00 174.62 174.52 1vdx h LEU 177 N 9.24 0.00 -7.00 4.42 3.38 -1.40 -3.48 115.31 120.47 1vdx h LEU 177 Ca -0.22 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.85 1vdx h LEU 177 Cb 1.08 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 1vdx h LEU 177 CO 0.96 0.68 0.60 0.00 0.09 0.00 0.00 178.44 180.77 1vdx s ALA 178 N -2.84 -1.95 -0.02 1.53 0.00 -1.16 -4.99 121.76 112.33 1vdx s ALA 178 Ca -0.03 1.59 0.03 0.00 0.00 0.00 0.00 51.96 53.55 1vdx s ALA 178 Cb 0.08 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 1vdx s ALA 178 CO 0.81 -0.33 -0.12 0.50 0.00 0.00 0.00 175.76 176.62 1vdx s ARG 179 N -1.26 1.05 -0.30 0.00 3.52 -1.26 -1.69 118.95 119.01 1vdx s ARG 179 Ca 0.00 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1vdx s ARG 179 Cb -0.01 -0.99 0.09 0.00 -1.56 0.00 0.00 34.95 32.49 1vdx s ARG 179 CO -0.00 0.22 0.07 -0.06 -0.81 0.00 0.00 175.30 174.71 1vdx s PHE 180 N -0.13 2.26 0.56 5.12 0.08 0.53 -4.96 117.98 121.45 1vdx s PHE 180 Ca 0.02 -2.01 -0.20 0.00 0.12 0.00 0.00 56.93 54.86 1vdx s PHE 180 Cb -0.06 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1vdx s PHE 180 CO 0.00 -0.87 1.24 -1.21 -0.10 0.00 0.00 175.22 174.28 1vdx s GLU 181 N 1.43 3.11 0.72 0.44 0.41 -1.26 -0.73 118.70 122.82 1vdx s GLU 181 Ca 0.08 1.93 -0.08 0.00 -0.41 0.00 0.00 54.97 56.49 1vdx s GLU 181 Cb -0.18 -2.08 0.06 0.00 -1.78 0.00 0.00 34.13 30.16 1vdx s GLU 181 CO -0.18 -1.12 1.04 -0.51 -0.49 0.00 0.00 175.26 174.00 1vdx s LEU 182 N -3.79 2.76 0.00 1.80 1.43 0.13 -4.56 118.68 116.45 1vdx s LEU 182 Ca 0.74 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1vdx s LEU 182 Cb -0.33 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1vdx s LEU 182 CO 0.37 -1.65 0.00 -0.24 0.23 0.00 0.00 176.35 175.06 1vdx n SER 183 N -2.99 -0.81 0.00 2.29 2.88 0.13 -4.70 113.62 110.42 1vdx n SER 183 Ca 0.08 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1vdx n SER 183 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1vdx n SER 183 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19