#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vcw s ASN 3 N 0.00 6.23 -0.15 2.55 2.47 -1.26 -4.98 114.94 119.79 2vcw s ASN 3 Ca 0.00 -0.12 -0.05 0.00 0.42 0.00 0.00 52.86 53.12 2vcw s ASN 3 Cb 0.00 -2.22 -0.03 0.00 -1.45 0.00 0.00 41.25 37.55 2vcw s ASN 3 CO 0.00 -0.36 -0.00 -0.31 -3.72 0.00 0.00 177.10 172.71 2vcw s TYR 4 N 2.13 3.12 -0.17 0.43 2.02 -1.26 -2.27 117.35 121.34 2vcw s TYR 4 Ca 0.14 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 2vcw s TYR 4 Cb -0.16 -1.97 0.05 0.00 -0.40 0.00 0.00 41.96 39.48 2vcw s TYR 4 CO 0.12 0.11 -0.01 0.21 -1.57 0.00 0.00 175.55 174.41 2vcw s LYS 5 N 0.16 1.00 -0.18 -0.62 2.20 -0.67 -0.26 119.74 121.37 2vcw s LYS 5 Ca 0.01 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 2vcw s LYS 5 Cb -0.13 -1.99 -0.05 0.00 -1.51 0.00 0.00 37.83 34.15 2vcw s LYS 5 CO 0.02 -0.53 0.20 -1.17 -0.36 0.00 0.00 175.35 173.52 2vcw s LEU 6 N 1.75 4.23 -0.11 5.43 2.96 0.16 -1.12 118.68 131.97 2vcw s LEU 6 Ca -0.00 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2vcw s LEU 6 Cb -0.16 -2.22 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 2vcw s LEU 6 CO -0.07 0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.02 2vcw s THR 7 N 0.34 2.44 0.28 3.68 2.01 -0.65 -0.22 115.64 123.53 2vcw s THR 7 Ca 0.12 -0.88 -0.19 0.00 0.31 0.00 0.00 61.69 61.05 2vcw s THR 7 Cb -0.12 -1.97 0.06 0.00 0.01 0.00 0.00 72.50 70.48 2vcw s THR 7 CO 0.01 0.55 0.91 -0.47 -0.69 0.00 0.00 174.62 174.92 2vcw s TYR 8 N 0.36 0.08 1.06 4.92 5.04 -0.70 -2.50 117.35 125.61 2vcw s TYR 8 Ca -0.16 -0.62 -0.16 0.00 -2.44 0.00 0.00 57.07 53.70 2vcw s TYR 8 Cb -0.17 0.77 0.22 0.00 0.35 0.00 0.00 41.96 43.13 2vcw s TYR 8 CO 0.07 -1.24 1.15 -0.06 -1.34 0.00 0.00 175.55 174.13 2vcw s PHE 9 N -2.31 1.42 -1.30 4.97 0.08 -1.26 -0.61 117.98 118.98 2vcw s PHE 9 Ca 0.18 0.63 -0.15 0.00 0.12 0.00 0.00 56.93 57.71 2vcw s PHE 9 Cb -0.04 -3.52 0.11 0.00 -0.57 0.00 0.00 43.02 39.00 2vcw s PHE 9 CO 0.08 -3.16 1.74 -1.71 -0.10 0.00 0.00 175.22 172.07 2vcw n ASN 10 N -4.27 4.88 -3.59 1.36 5.15 -1.25 -4.62 115.26 112.92 2vcw n ASN 10 Ca 0.10 -2.95 -0.08 0.00 -0.60 0.00 0.00 54.58 51.06 2vcw n ASN 10 Cb 0.59 -1.65 -0.02 0.00 -0.53 0.00 0.00 39.78 38.17 2vcw n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vcw s MET 11 N 2.84 1.23 -0.01 1.20 0.23 -1.26 -4.96 119.30 118.56 2vcw s MET 11 Ca 0.48 -0.56 -0.06 0.00 -1.03 0.00 0.00 55.69 54.52 2vcw s MET 11 Cb 0.04 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.80 2vcw s MET 11 CO 0.02 -0.55 0.55 0.00 -2.03 0.00 0.00 175.02 173.02 2vcw h ARG 12 N 2.00 -0.22 0.00 3.16 3.08 -0.89 -3.45 114.38 118.06 2vcw h ARG 12 Ca -0.26 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2vcw h ARG 12 Cb 1.26 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2vcw h ARG 12 CO 0.31 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 2vcw n GLY 13 N 0.46 1.72 0.00 0.04 0.00 -1.25 -1.80 105.19 104.37 2vcw n GLY 13 Ca -0.03 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2vcw n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vcw n ARG 14 N 14.00 0.00 0.11 1.61 1.74 -1.26 -3.20 116.66 129.66 2vcw n ARG 14 Ca 0.00 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.23 2vcw n ARG 14 Cb 0.00 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.00 2vcw n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vcw h ALA 15 N 2.93 0.59 -0.97 7.54 0.00 -1.79 -3.39 119.26 124.17 2vcw h ALA 15 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2vcw h ALA 15 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2vcw h ALA 15 CO 0.00 0.00 0.63 1.49 0.00 0.00 0.00 179.25 181.37 2vcw h GLU 16 N 0.00 1.14 -1.00 0.00 4.57 -1.32 -1.43 114.58 116.54 2vcw h GLU 16 Ca 0.00 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 2vcw h GLU 16 Cb 0.95 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 29.21 2vcw h GLU 16 CO 0.00 0.75 0.65 0.97 -1.18 0.00 0.00 179.01 180.20 2vcw h ILE 17 N 1.17 1.10 -0.56 2.32 6.09 -1.81 0.24 117.51 126.06 2vcw h ILE 17 Ca 0.40 -0.41 -0.10 0.00 -1.37 0.00 0.00 64.86 63.38 2vcw h ILE 17 Cb 0.08 -0.19 -0.02 0.00 0.47 0.00 0.00 36.82 37.16 2vcw h ILE 17 CO -0.14 0.22 -0.06 0.40 -3.07 0.00 0.00 178.15 175.50 2vcw h ILE 18 N 1.19 1.27 -0.68 2.19 2.04 -1.56 -2.00 117.51 119.96 2vcw h ILE 18 Ca 0.43 -1.21 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 2vcw h ILE 18 Cb 0.15 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2vcw h ILE 18 CO -0.17 0.43 0.21 0.03 0.00 0.00 0.00 178.15 178.66 2vcw h ARG 19 N 0.92 1.04 -0.35 2.37 3.08 -0.76 -0.37 114.38 120.32 2vcw h ARG 19 Ca 0.15 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 2vcw h ARG 19 Cb 0.62 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2vcw h ARG 19 CO 0.04 0.89 0.01 1.88 -1.07 0.00 0.00 179.97 181.71 2vcw h TYR 20 N 1.01 0.67 -0.28 3.04 -1.99 -0.84 -1.90 116.97 116.68 2vcw h TYR 20 Ca 0.22 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.85 2vcw h TYR 20 Cb 0.28 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.82 2vcw h TYR 20 CO 0.02 0.72 0.16 0.82 -0.00 0.00 0.00 178.16 179.88 2vcw h ILE 21 N 0.43 1.04 -0.32 -2.88 2.04 -1.03 0.00 117.51 116.79 2vcw h ILE 21 Ca 0.10 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.85 2vcw h ILE 21 Cb 0.45 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2vcw h ILE 21 CO 0.02 0.06 0.20 -0.26 0.00 0.00 0.00 178.15 178.17 2vcw h PHE 22 N 0.34 0.38 -0.25 1.37 0.04 -1.05 -0.55 116.94 117.22 2vcw h PHE 22 Ca 0.11 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.91 2vcw h PHE 22 Cb -0.01 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 2vcw h PHE 22 CO -0.07 0.23 0.11 0.00 -0.60 0.00 0.00 178.31 177.98 2vcw h ALA 23 N 1.13 0.29 -0.75 2.45 0.00 -1.07 0.12 119.26 121.43 2vcw h ALA 23 Ca 0.12 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2vcw h ALA 23 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2vcw h ALA 23 CO -0.04 -0.29 0.28 -0.92 0.00 0.00 0.00 179.25 178.28 2vcw h TYR 24 N 0.24 1.15 -0.14 0.00 3.20 -0.74 -2.50 116.97 118.18 2vcw h TYR 24 Ca 0.10 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2vcw h TYR 24 Cb 0.04 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.97 2vcw h TYR 24 CO -0.10 0.88 0.00 1.28 -1.64 0.00 0.00 178.16 178.58 2vcw n LEU 25 N -4.27 1.42 -3.63 2.82 4.77 -0.24 -4.94 117.00 112.93 2vcw n LEU 25 Ca 0.07 -0.59 -0.26 0.00 -0.03 0.00 0.00 56.01 55.19 2vcw n LEU 25 Cb 0.20 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 2vcw n LEU 25 CO 0.41 0.30 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.03 2vcw n ASP 26 N 0.16 -4.42 -4.35 -1.43 2.03 -0.25 -4.98 116.55 103.30 2vcw n ASP 26 Ca 0.16 -0.93 -0.34 0.00 0.52 0.00 0.00 54.79 54.20 2vcw n ASP 26 Cb 0.29 -3.80 -0.14 0.00 -0.72 0.00 0.00 41.12 36.75 2vcw n ASP 26 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2vcw s ILE 27 N -3.53 3.38 0.23 5.18 1.01 0.25 -5.03 121.20 122.69 2vcw s ILE 27 Ca 0.35 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 2vcw s ILE 27 Cb -0.11 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.77 2vcw s ILE 27 CO 0.83 0.46 0.97 -1.10 0.00 0.00 0.00 174.94 176.10 2vcw s GLN 28 N 1.07 4.81 0.15 2.79 -1.52 -1.26 -4.58 119.66 121.11 2vcw s GLN 28 Ca 0.01 1.54 -0.15 0.00 -1.95 0.00 0.00 55.36 54.81 2vcw s GLN 28 Cb -0.15 -3.28 0.02 0.00 -0.22 0.00 0.00 33.01 29.39 2vcw s GLN 28 CO -0.01 0.43 0.40 1.52 -0.25 0.00 0.00 175.29 177.39 2vcw s TYR 29 N -1.02 -0.06 -0.35 0.91 1.13 -1.26 -4.57 117.35 112.13 2vcw s TYR 29 Ca 0.42 -0.28 -0.21 0.00 -1.41 0.00 0.00 57.07 55.59 2vcw s TYR 29 Cb -0.27 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 40.82 2vcw s TYR 29 CO 0.33 -0.75 0.68 -2.00 -2.51 0.00 0.00 175.55 171.30 2vcw s GLU 30 N -3.85 3.74 -1.16 -3.49 2.12 0.64 -4.98 118.70 111.71 2vcw s GLU 30 Ca 0.07 0.18 -0.14 0.00 0.36 0.00 0.00 54.97 55.44 2vcw s GLU 30 Cb 0.02 -3.80 0.17 0.00 0.26 0.00 0.00 34.13 30.78 2vcw s GLU 30 CO -0.08 -0.75 1.38 0.34 -0.54 0.00 0.00 175.26 175.61 2vcw s ASP 31 N 1.78 7.02 -0.37 -1.70 2.15 -1.26 -0.67 116.67 123.62 2vcw s ASP 31 Ca 0.27 -2.88 -0.26 0.00 0.43 0.00 0.00 52.55 50.10 2vcw s ASP 31 Cb -0.14 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2vcw s ASP 31 CO 0.15 -0.77 0.94 -2.28 -0.17 0.00 0.00 175.17 173.04 2vcw s HIS 32 N 1.63 3.07 -0.26 -5.34 5.65 0.70 -5.01 115.29 115.73 2vcw s HIS 32 Ca 0.41 0.79 -0.05 0.00 0.25 0.00 0.00 55.06 56.46 2vcw s HIS 32 Cb -0.03 -3.68 0.00 0.00 -1.18 0.00 0.00 32.58 27.69 2vcw s HIS 32 CO -0.02 -0.84 0.02 1.03 -0.65 0.00 0.00 174.74 174.28 2vcw s ARG 33 N 3.52 3.20 0.39 2.88 0.52 -1.26 -1.71 118.95 126.48 2vcw s ARG 33 Ca 0.39 -0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 54.76 2vcw s ARG 33 Cb -0.12 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2vcw s ARG 33 CO 0.19 -0.34 0.70 0.96 0.02 0.00 0.00 175.30 176.84 2vcw s ILE 34 N 1.48 4.89 0.23 1.52 -4.36 0.23 -4.82 121.20 120.36 2vcw s ILE 34 Ca 0.04 0.34 -0.30 0.00 -0.26 0.00 0.00 60.65 60.46 2vcw s ILE 34 Cb -0.16 -3.76 -0.09 0.00 1.25 0.00 0.00 42.46 39.70 2vcw s ILE 34 CO -0.00 -0.53 1.04 -1.61 0.24 0.00 0.00 174.94 174.08 2vcw s GLU 35 N -3.96 4.70 0.52 0.37 2.02 -1.26 -3.75 118.70 117.34 2vcw s GLU 35 Ca 0.48 1.66 0.21 0.00 0.02 0.00 0.00 54.97 57.34 2vcw s GLU 35 Cb -0.10 -3.25 1.33 0.00 0.10 0.00 0.00 34.13 32.20 2vcw s GLU 35 CO 0.34 0.27 2.05 1.96 0.02 0.00 0.00 175.26 179.90 2vcw h GLN 36 N 4.40 0.02 0.00 1.61 1.08 -1.98 -0.07 115.11 120.16 2vcw h GLN 36 Ca -0.45 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2vcw h GLN 36 Cb 1.21 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2vcw h GLN 36 CO 0.69 0.01 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 2vcw n ALA 37 N -2.60 2.28 0.48 3.87 0.00 -1.26 -2.87 120.51 120.41 2vcw n ALA 37 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2vcw n ALA 37 Cb 0.40 -1.42 0.09 0.00 0.00 0.00 0.00 19.45 18.52 2vcw n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2vcw n ASP 38 N -1.31 2.45 0.08 0.00 8.00 -0.04 -4.72 116.55 121.00 2vcw n ASP 38 Ca 0.11 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.78 2vcw n ASP 38 Cb 0.22 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.18 2vcw n ASP 38 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 2vcw h TRP 39 N 2.96 -0.17 -0.97 1.24 -0.00 -1.50 -2.85 115.95 114.66 2vcw h TRP 39 Ca 0.00 -0.00 0.24 0.00 -0.00 0.00 0.00 58.89 59.12 2vcw h TRP 39 Cb 0.67 0.05 -0.12 0.00 -0.00 0.00 0.00 29.16 29.76 2vcw h TRP 39 CO 0.06 0.11 0.55 -1.00 -0.00 0.00 0.00 178.44 178.15 2vcw h PRO 40 N -0.43 0.53 -0.41 2.65 0.13 -1.84 -0.34 132.00 132.28 2vcw h PRO 40 Ca -0.02 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2vcw h PRO 40 Cb 0.35 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 2vcw h PRO 40 CO 0.03 0.35 0.00 0.93 -0.23 0.00 0.00 178.00 179.08 2vcw h GLU 41 N 0.55 0.73 -0.04 0.86 4.39 -1.89 -3.31 114.58 115.86 2vcw h GLU 41 Ca 0.62 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.85 2vcw h GLU 41 Cb 1.17 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2vcw h GLU 41 CO -0.48 0.81 -0.92 0.82 -1.16 0.00 0.00 179.01 178.07 2vcw h ILE 42 N 0.56 1.33 -0.87 3.13 2.04 -0.92 -3.36 117.51 119.42 2vcw h ILE 42 Ca 0.12 -2.25 0.20 0.00 1.00 0.00 0.00 64.86 63.93 2vcw h ILE 42 Cb 0.48 2.28 -0.16 0.00 -0.74 0.00 0.00 36.82 38.68 2vcw h ILE 42 CO 0.02 0.69 -0.08 0.50 0.00 0.00 0.00 178.15 179.28 2vcw h LYS 43 N 0.36 0.03 0.00 2.37 3.64 -1.22 0.04 116.57 121.79 2vcw h LYS 43 Ca -0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2vcw h LYS 43 Cb 1.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2vcw h LYS 43 CO 0.17 0.02 0.00 0.66 -2.27 0.00 0.00 179.45 178.04 2vcw h SER 44 N 0.04 0.00 0.16 4.20 4.64 -1.75 -2.01 113.55 118.82 2vcw h SER 44 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2vcw h SER 44 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2vcw h SER 44 CO -0.83 0.00 -0.06 0.35 -0.87 0.00 0.00 176.83 175.42 2vcw n THR 45 N -2.96 0.00 -3.98 2.95 -2.24 -0.00 -4.88 114.28 103.16 2vcw n THR 45 Ca -0.01 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 2vcw n THR 45 Cb 0.20 0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2vcw n THR 45 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2vcw s LEU 46 N -2.22 4.20 0.18 3.22 1.43 -0.76 -5.02 118.68 119.71 2vcw s LEU 46 Ca 0.36 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 2vcw s LEU 46 Cb 0.21 -2.26 0.11 0.00 0.03 0.00 0.00 46.19 44.28 2vcw s LEU 46 CO 0.41 0.33 1.37 -0.81 0.23 0.00 0.00 176.35 177.88 2vcw n PRO 47 N 1.50 -0.27 -0.65 1.29 -0.04 -1.26 -1.49 135.00 134.08 2vcw n PRO 47 Ca -0.15 1.35 0.06 0.00 -0.04 0.00 0.00 63.50 64.71 2vcw n PRO 47 Cb 0.54 -2.00 0.12 0.00 -0.04 0.00 0.00 33.50 32.12 2vcw n PRO 47 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2vcw n PHE 48 N -5.23 0.00 -2.83 0.54 3.01 -1.26 -5.00 117.46 106.70 2vcw n PHE 48 Ca 0.06 -0.94 -0.21 0.00 1.01 0.00 0.00 57.45 57.37 2vcw n PHE 48 Cb 0.31 -0.17 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 2vcw n PHE 48 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2vcw n GLY 49 N -0.69 -0.51 3.22 1.37 0.00 -0.55 -5.00 105.19 103.02 2vcw n GLY 49 Ca 0.13 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2vcw n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vcw s LYS 50 N -5.48 0.94 0.26 1.61 -0.14 -1.26 -4.92 119.74 110.75 2vcw s LYS 50 Ca 0.19 -1.06 0.12 0.00 -1.36 0.00 0.00 55.97 53.86 2vcw s LYS 50 Cb -0.09 -1.01 -0.05 0.00 -1.68 0.00 0.00 37.83 35.00 2vcw s LYS 50 CO 0.24 0.22 -0.21 0.96 -0.76 0.00 0.00 175.35 175.81 2vcw s ILE 51 N -1.36 2.45 0.67 2.17 -4.36 -1.26 -4.57 121.20 114.93 2vcw s ILE 51 Ca 0.02 -2.34 -0.11 0.00 -0.26 0.00 0.00 60.65 57.95 2vcw s ILE 51 Cb -0.09 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 2vcw s ILE 51 CO 0.03 -0.35 1.05 -2.16 0.24 0.00 0.00 174.94 173.75 2vcw s PRO 52 N -3.36 3.12 0.15 0.37 0.04 -1.26 -4.98 135.00 129.07 2vcw s PRO 52 Ca 0.28 0.94 0.09 0.00 0.04 0.00 0.00 61.00 62.36 2vcw s PRO 52 Cb -0.05 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2vcw s PRO 52 CO 0.14 -0.96 -0.21 0.96 0.04 0.00 0.00 177.00 176.98 2vcw s ILE 53 N -3.00 1.90 -0.16 0.56 -4.36 -1.04 -3.99 121.20 111.11 2vcw s ILE 53 Ca 0.58 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2vcw s ILE 53 Cb -0.14 -1.81 0.04 0.00 1.25 0.00 0.00 42.46 41.81 2vcw s ILE 53 CO 0.52 -0.17 -0.03 -0.22 0.24 0.00 0.00 174.94 175.28 2vcw s LEU 54 N -2.38 1.44 -0.21 0.37 2.96 0.12 -1.64 118.68 119.35 2vcw s LEU 54 Ca 0.13 -0.62 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 2vcw s LEU 54 Cb -0.08 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2vcw s LEU 54 CO 0.06 -0.20 0.54 -1.61 -1.32 0.00 0.00 176.35 173.82 2vcw s GLU 55 N 1.70 4.17 -0.32 1.98 2.02 -0.28 -0.07 118.70 127.91 2vcw s GLU 55 Ca 0.01 0.44 0.03 0.00 0.02 0.00 0.00 54.97 55.47 2vcw s GLU 55 Cb -0.15 -3.58 0.10 0.00 0.10 0.00 0.00 34.13 30.59 2vcw s GLU 55 CO -0.07 -0.20 0.04 0.08 0.02 0.00 0.00 175.26 175.12 2vcw s VAL 56 N 1.81 2.02 -1.29 2.63 1.01 0.13 -1.67 120.40 125.04 2vcw s VAL 56 Ca 0.24 -2.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.10 2vcw s VAL 56 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2vcw s VAL 56 CO 0.10 -0.55 0.95 0.47 0.00 0.00 0.00 175.10 176.07 2vcw n ASP 57 N 4.38 -2.86 0.00 3.32 8.00 -0.96 -2.22 116.55 126.20 2vcw n ASP 57 Ca 0.01 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2vcw n ASP 57 Cb 0.42 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 2vcw n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vcw n GLY 58 N -1.46 1.95 3.70 0.44 0.00 -1.26 -4.98 105.19 103.58 2vcw n GLY 58 Ca -0.21 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2vcw n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2vcw s LEU 59 N 0.00 4.38 -0.23 0.99 0.20 -0.94 -4.94 118.68 118.14 2vcw s LEU 59 Ca 0.00 2.74 -0.12 0.00 0.69 0.00 0.00 54.13 57.44 2vcw s LEU 59 Cb 0.00 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.13 2vcw s LEU 59 CO 0.00 -0.95 0.24 -0.89 -0.29 0.00 0.00 176.35 174.46 2vcw s THR 60 N 1.95 5.30 0.01 3.68 2.01 -1.26 0.18 115.64 127.51 2vcw s THR 60 Ca 0.76 0.35 0.04 0.00 0.31 0.00 0.00 61.69 63.15 2vcw s THR 60 Cb -0.46 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2vcw s THR 60 CO 0.34 0.31 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.72 2vcw s LEU 61 N 1.20 3.07 0.38 4.42 1.43 0.91 -4.94 118.68 125.13 2vcw s LEU 61 Ca 0.11 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2vcw s LEU 61 Cb -0.14 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2vcw s LEU 61 CO 0.06 0.27 0.12 -1.38 0.23 0.00 0.00 176.35 175.65 2vcw s HIS 62 N -0.99 1.79 -0.08 0.29 -3.43 -1.26 0.16 115.29 111.77 2vcw s HIS 62 Ca 0.17 -1.23 -0.05 0.00 -0.80 0.00 0.00 55.06 53.15 2vcw s HIS 62 Cb -0.11 -1.14 0.02 0.00 -1.43 0.00 0.00 32.58 29.92 2vcw s HIS 62 CO 0.07 -0.26 0.11 1.04 -2.00 0.00 0.00 174.74 173.70 2vcw n GLN 63 N -0.82 -1.99 -0.26 -0.38 1.13 -1.26 -4.46 117.38 109.34 2vcw n GLN 63 Ca -0.04 1.78 0.05 0.00 -1.94 0.00 0.00 57.00 56.85 2vcw n GLN 63 Cb 0.65 -2.75 0.18 0.00 0.11 0.00 0.00 30.24 28.44 2vcw n GLN 63 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 2vcw h SER 64 N 1.76 0.31 0.78 1.08 4.64 -1.86 -1.47 113.55 118.79 2vcw h SER 64 Ca -0.25 0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.02 2vcw h SER 64 Cb 0.56 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 2vcw h SER 64 CO 0.00 0.13 -0.72 -0.07 -0.87 0.00 0.00 176.83 175.30 2vcw h LEU 65 N 0.47 0.00 -0.36 5.97 3.38 -1.91 0.85 115.31 123.71 2vcw h LEU 65 Ca 0.41 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.31 2vcw h LEU 65 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2vcw h LEU 65 CO -0.38 0.72 -0.04 0.00 0.09 0.00 0.00 178.44 178.83 2vcw h ALA 66 N 1.28 0.48 -0.21 1.53 0.00 -1.69 -1.72 119.26 118.93 2vcw h ALA 66 Ca -0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2vcw h ALA 66 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2vcw h ALA 66 CO 0.09 0.29 0.06 0.82 0.00 0.00 0.00 179.25 180.51 2vcw h ILE 67 N 0.46 1.20 -0.76 0.00 2.04 -1.17 -1.94 117.51 117.34 2vcw h ILE 67 Ca 0.10 -0.64 0.08 0.00 1.00 0.00 0.00 64.86 65.40 2vcw h ILE 67 Cb 0.52 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.75 2vcw h ILE 67 CO 0.03 0.20 0.43 0.00 0.00 0.00 0.00 178.15 178.81 2vcw h ALA 68 N 0.88 1.06 -0.38 1.87 0.00 -0.72 0.53 119.26 122.49 2vcw h ALA 68 Ca 0.07 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2vcw h ALA 68 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2vcw h ALA 68 CO -0.00 0.08 -0.26 -0.09 0.00 0.00 0.00 179.25 178.98 2vcw h ARG 69 N 0.75 0.79 -0.05 0.00 2.43 -1.24 -1.70 114.38 115.36 2vcw h ARG 69 Ca 0.36 -0.34 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2vcw h ARG 69 Cb 0.29 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2vcw h ARG 69 CO -0.22 0.96 0.01 -0.92 -1.51 0.00 0.00 179.97 178.30 2vcw h TYR 70 N 0.68 0.08 0.00 2.20 3.20 -0.51 -2.45 116.97 120.17 2vcw h TYR 70 Ca 0.09 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2vcw h TYR 70 Cb 0.79 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2vcw h TYR 70 CO 0.04 0.26 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.53 2vcw h LEU 71 N -0.12 0.00 0.00 2.82 3.38 -0.84 -3.09 115.31 117.46 2vcw h LEU 71 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2vcw h LEU 71 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2vcw h LEU 71 CO -0.00 0.21 -0.66 0.71 0.09 0.00 0.00 178.44 178.79 2vcw h THR 72 N 0.00 0.00 -2.57 0.22 1.35 -1.25 -3.46 112.91 107.19 2vcw h THR 72 Ca -0.00 -0.72 -0.56 0.00 -0.55 0.00 0.00 66.41 64.57 2vcw h THR 72 Cb 0.41 1.34 0.07 0.00 -1.73 0.00 0.00 68.15 68.24 2vcw h THR 72 CO 0.03 0.00 0.83 1.17 -0.25 0.00 0.00 175.52 177.30 2vcw n LYS 73 N -2.43 2.37 -1.15 4.72 4.81 -0.93 -1.52 118.16 124.04 2vcw n LYS 73 Ca 0.02 0.85 -0.05 0.00 -0.87 0.00 0.00 58.31 58.26 2vcw n LYS 73 Cb 0.49 -2.62 -0.02 0.00 0.02 0.00 0.00 35.03 32.89 2vcw n LYS 73 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2vcw n ASN 74 N 3.18 -3.80 -4.62 3.14 3.02 -1.26 -5.03 115.26 109.90 2vcw n ASN 74 Ca 0.15 0.12 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 2vcw n ASN 74 Cb 0.32 -1.75 -0.11 0.00 -0.61 0.00 0.00 39.78 37.63 2vcw n ASN 74 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vcw s THR 75 N -2.12 2.02 -1.76 3.41 -4.23 -0.58 -5.02 115.64 107.36 2vcw s THR 75 Ca 0.00 -2.01 0.22 0.00 -1.18 0.00 0.00 61.69 58.73 2vcw s THR 75 Cb 0.00 -2.98 0.53 0.00 1.34 0.00 0.00 72.50 71.39 2vcw s THR 75 CO 0.00 -0.01 1.72 -0.90 -0.54 0.00 0.00 174.62 174.89 2vcw n ASP 76 N -0.97 0.00 0.08 3.99 5.68 -1.26 -2.41 116.55 121.66 2vcw n ASP 76 Ca -0.05 -0.42 0.13 0.00 -0.50 0.00 0.00 54.79 53.95 2vcw n ASP 76 Cb 0.67 -0.12 0.33 0.00 -1.14 0.00 0.00 41.12 40.85 2vcw n ASP 76 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2vcw n LEU 77 N -1.12 0.72 -4.84 -2.12 4.77 -1.26 -4.71 117.00 108.43 2vcw n LEU 77 Ca 0.14 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 56.22 2vcw n LEU 77 Cb 0.12 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 2vcw n LEU 77 CO 0.14 -0.11 0.64 0.00 -1.33 0.00 0.00 177.39 176.73 2vcw s ALA 78 N -3.12 3.11 0.67 -1.18 0.00 -1.01 -2.00 121.76 118.23 2vcw s ALA 78 Ca 0.09 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 2vcw s ALA 78 Cb 0.13 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 2vcw s ALA 78 CO 0.64 -0.13 0.78 0.41 0.00 0.00 0.00 175.76 177.46 2vcw n GLY 79 N -1.36 -0.86 0.17 0.00 0.00 -1.26 -4.90 105.19 96.97 2vcw n GLY 79 Ca 0.06 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2vcw n GLY 79 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2vcw h ASN 80 N -0.02 0.00 -4.58 1.61 2.35 -1.93 -3.43 115.58 109.57 2vcw h ASN 80 Ca -0.47 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 54.99 2vcw h ASN 80 Cb 1.36 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.58 2vcw h ASN 80 CO 0.47 0.00 -0.65 0.42 -1.65 0.00 0.00 177.43 176.02 2vcw s THR 81 N -3.17 0.60 0.25 2.81 -4.23 -1.26 -5.01 115.64 105.64 2vcw s THR 81 Ca 0.08 -1.98 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2vcw s THR 81 Cb 0.08 -2.24 0.24 0.00 1.34 0.00 0.00 72.50 71.92 2vcw s THR 81 CO 0.63 -0.35 1.85 -0.33 -0.54 0.00 0.00 174.62 175.87 2vcw h GLU 82 N 2.63 0.97 -0.46 3.99 4.39 -2.00 -0.85 114.58 123.25 2vcw h GLU 82 Ca -0.37 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 2vcw h GLU 82 Cb 1.22 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 2vcw h GLU 82 CO 0.62 0.64 -0.17 1.98 -1.16 0.00 0.00 179.01 180.91 2vcw h MET 83 N 1.00 0.90 -0.65 2.33 4.05 -1.98 -2.43 114.93 118.15 2vcw h MET 83 Ca 0.41 -0.35 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 2vcw h MET 83 Cb 0.24 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 2vcw h MET 83 CO -0.20 1.00 0.26 0.93 0.23 0.00 0.00 176.91 179.14 2vcw h GLU 84 N 0.79 0.96 -0.56 0.39 5.08 -1.73 -1.12 114.58 118.39 2vcw h GLU 84 Ca 0.11 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2vcw h GLU 84 Cb 0.72 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2vcw h GLU 84 CO 0.05 0.78 0.17 1.96 -1.00 0.00 0.00 179.01 180.98 2vcw h GLN 85 N 0.94 0.83 -0.37 2.33 4.20 -0.92 0.40 115.11 122.52 2vcw h GLN 85 Ca 0.22 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2vcw h GLN 85 Cb 0.18 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2vcw h GLN 85 CO -0.02 0.72 0.12 0.00 -0.67 0.00 0.00 178.83 178.98 2vcw h HIS 87 N 0.45 1.19 0.48 0.00 3.86 -0.54 -0.03 115.15 120.57 2vcw h HIS 87 Ca 0.12 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2vcw h HIS 87 Cb 0.25 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.36 2vcw h HIS 87 CO 0.01 0.86 -0.24 0.28 0.86 0.00 0.00 177.93 179.70 2vcw h VAL 88 N 1.18 0.51 -0.99 2.45 2.07 0.07 -2.17 116.25 119.37 2vcw h VAL 88 Ca 0.28 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.92 2vcw h VAL 88 Cb 0.11 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.31 2vcw h VAL 88 CO -0.04 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.62 2vcw h ASP 89 N -0.66 0.90 -0.19 0.57 3.32 -0.78 -1.44 116.42 118.15 2vcw h ASP 89 Ca -0.07 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 2vcw h ASP 89 Cb 0.51 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2vcw h ASP 89 CO 0.10 0.49 -0.03 0.00 -1.72 0.00 0.00 179.24 178.09 2vcw h ALA 90 N 1.54 0.26 -0.40 3.45 0.00 -0.83 -1.05 119.26 122.24 2vcw h ALA 90 Ca 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2vcw h ALA 90 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2vcw h ALA 90 CO -0.25 0.01 0.19 0.82 0.00 0.00 0.00 179.25 180.02 2vcw h ILE 91 N 0.08 1.18 -0.39 0.00 1.08 -1.13 -0.58 117.51 117.74 2vcw h ILE 91 Ca 0.05 -0.51 0.05 0.00 -0.39 0.00 0.00 64.86 64.06 2vcw h ILE 91 Cb 0.45 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 2vcw h ILE 91 CO 0.01 0.19 0.11 0.58 -0.69 0.00 0.00 178.15 178.36 2vcw h VAL 92 N 0.50 0.84 -0.53 1.67 2.07 -1.24 -1.41 116.25 118.16 2vcw h VAL 92 Ca 0.14 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2vcw h VAL 92 Cb 0.13 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2vcw h VAL 92 CO -0.02 0.05 0.11 0.44 0.02 0.00 0.00 177.57 178.17 2vcw h ASP 93 N 0.25 0.77 -0.50 0.57 3.32 -0.95 0.14 116.42 120.02 2vcw h ASP 93 Ca 0.19 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2vcw h ASP 93 Cb 0.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2vcw h ASP 93 CO -0.22 0.78 0.23 0.74 -1.72 0.00 0.00 179.24 179.05 2vcw h THR 94 N 0.79 1.20 -0.36 0.35 2.02 -0.72 0.96 112.91 117.15 2vcw h THR 94 Ca 0.17 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 2vcw h THR 94 Cb 0.32 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2vcw h THR 94 CO 0.00 0.23 -0.23 -0.07 0.37 0.00 0.00 175.52 175.82 2vcw h LEU 95 N 0.67 0.83 -0.07 2.58 3.38 -0.95 -3.17 115.31 118.58 2vcw h LEU 95 Ca 0.17 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2vcw h LEU 95 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2vcw h LEU 95 CO -0.02 1.08 -0.01 -0.78 0.09 0.00 0.00 178.44 178.80 2vcw h ASP 96 N 0.59 0.12 -0.68 -0.43 3.58 -0.50 -2.42 116.42 116.68 2vcw h ASP 96 Ca 0.07 -0.35 0.13 0.00 0.42 0.00 0.00 57.03 57.30 2vcw h ASP 96 Cb 0.79 -0.03 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 2vcw h ASP 96 CO 0.06 0.44 0.22 0.44 -2.88 0.00 0.00 179.24 177.53 2vcw h ASP 97 N -0.20 0.15 0.59 2.28 3.32 -0.91 0.61 116.42 122.26 2vcw h ASP 97 Ca 0.02 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2vcw h ASP 97 Cb 0.39 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2vcw h ASP 97 CO 0.01 0.06 -0.51 0.15 -1.72 0.00 0.00 179.24 177.22 2vcw h PHE 98 N 0.36 -1.40 -0.02 4.55 3.57 -1.52 -2.53 116.94 119.95 2vcw h PHE 98 Ca 0.37 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.88 2vcw h PHE 98 Cb 0.55 0.54 -0.00 0.00 2.79 0.00 0.00 35.95 39.83 2vcw h PHE 98 CO -0.20 -0.70 0.04 1.98 -2.23 0.00 0.00 178.31 177.19 2vcw h MET 99 N -1.08 0.00 -1.05 1.11 4.05 -0.75 -3.52 114.93 113.69 2vcw h MET 99 Ca -0.08 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 2vcw h MET 99 Cb 0.91 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.65 2vcw h MET 99 CO -0.02 0.00 0.14 0.43 0.23 0.00 0.00 176.91 177.69 2vcw n SER 100 N -3.44 3.34 0.00 1.39 7.64 0.20 -5.08 113.62 117.67 2vcw n SER 100 Ca -0.02 -2.37 0.00 0.00 1.01 0.00 0.00 58.87 57.49 2vcw n SER 100 Cb 0.12 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2vcw n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2vcw n GLU 118 N 0.20 0.00 0.15 1.43 1.02 -1.26 -5.05 120.64 117.13 2vcw n GLU 118 Ca 0.13 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.36 2vcw n GLU 118 Cb 0.74 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.23 2vcw n GLU 118 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2vcw h LEU 119 N 0.00 0.00 -0.01 -4.62 6.46 -2.02 -3.20 115.31 111.92 2vcw h LEU 119 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2vcw h LEU 119 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2vcw h LEU 119 CO 0.00 0.14 -0.02 0.18 -0.62 0.00 0.00 178.44 178.13 2vcw n LEU 120 N -2.97 0.03 -0.12 2.25 7.99 -1.26 -2.61 117.00 120.30 2vcw n LEU 120 Ca 0.01 0.34 -0.27 0.00 -0.01 0.00 0.00 56.01 56.08 2vcw n LEU 120 Cb 0.60 -0.35 -0.11 0.00 -0.11 0.00 0.00 43.42 43.45 2vcw n LEU 120 CO 0.38 0.01 -1.08 0.41 -1.51 0.00 0.00 177.39 175.60 2vcw n THR 121 N -1.35 1.53 -0.06 -5.08 -1.04 -1.21 -4.30 114.28 102.78 2vcw n THR 121 Ca 0.12 -0.25 -0.01 0.00 -2.04 0.00 0.00 64.05 61.86 2vcw n THR 121 Cb 0.28 -1.94 -0.00 0.00 -1.82 0.00 0.00 70.33 66.85 2vcw n THR 121 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 2vcw h TYR 122 N -0.98 0.00 0.11 -1.42 -1.99 -1.70 -3.41 116.97 107.58 2vcw h TYR 122 Ca -0.56 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 59.90 2vcw h TYR 122 Cb 1.50 0.00 0.03 0.00 2.00 0.00 0.00 36.73 40.26 2vcw h TYR 122 CO -0.01 0.00 -1.10 -0.91 -0.00 0.00 0.00 178.16 176.14 2vcw h ASN 123 N -0.99 0.77 0.03 3.88 4.21 -1.84 -3.34 115.58 118.30 2vcw h ASN 123 Ca 0.00 -0.84 0.02 0.00 1.21 0.00 0.00 56.30 56.70 2vcw h ASN 123 Cb 0.16 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.07 2vcw h ASN 123 CO 0.00 1.53 -0.47 0.00 -1.29 0.00 0.00 177.43 177.20 2vcw h ALA 124 N 0.25 -0.82 -0.42 -0.83 0.00 -1.69 -0.03 119.26 115.73 2vcw h ALA 124 Ca -0.17 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2vcw h ALA 124 Cb 1.80 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 20.40 2vcw h ALA 124 CO 0.21 -1.04 0.28 -1.35 0.00 0.00 0.00 179.25 177.35 2vcw h PRO 125 N -0.65 0.54 -0.38 0.00 0.11 -1.76 -1.77 132.00 128.09 2vcw h PRO 125 Ca 0.03 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2vcw h PRO 125 Cb 0.70 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2vcw h PRO 125 CO -0.32 0.36 -0.02 0.45 -0.21 0.00 0.00 178.00 178.25 2vcw h HIS 126 N 0.55 0.75 -0.89 0.65 3.86 -1.52 -2.00 115.15 116.56 2vcw h HIS 126 Ca 0.16 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2vcw h HIS 126 Cb -0.04 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.20 2vcw h HIS 126 CO -0.00 0.79 0.56 1.25 0.86 0.00 0.00 177.93 181.39 2vcw h LEU 127 N 0.50 1.05 -0.49 2.43 5.85 -0.61 -0.12 115.31 123.93 2vcw h LEU 127 Ca 0.10 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2vcw h LEU 127 Cb 0.51 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2vcw h LEU 127 CO 0.02 0.79 0.20 0.24 -0.34 0.00 0.00 178.44 179.36 2vcw h MET 128 N 1.22 0.72 -0.26 1.25 2.86 -1.19 0.47 114.93 120.00 2vcw h MET 128 Ca 0.32 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2vcw h MET 128 Cb -0.08 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2vcw h MET 128 CO -0.06 0.64 0.10 0.37 1.06 0.00 0.00 176.91 179.01 2vcw h GLN 129 N 0.64 0.39 -0.26 1.72 5.75 -1.06 -1.23 115.11 121.07 2vcw h GLN 129 Ca 0.16 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2vcw h GLN 129 Cb 0.18 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2vcw h GLN 129 CO -0.01 0.44 0.10 -0.44 -2.65 0.00 0.00 178.83 176.26 2vcw h ASP 130 N 0.26 0.12 -0.51 -0.69 3.32 -0.74 -0.72 116.42 117.46 2vcw h ASP 130 Ca 0.09 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2vcw h ASP 130 Cb 0.20 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2vcw h ASP 130 CO -0.01 0.10 0.03 0.25 -1.72 0.00 0.00 179.24 177.89 2vcw h LEU 131 N 0.22 0.90 -0.52 1.55 5.85 -0.87 0.73 115.31 123.17 2vcw h LEU 131 Ca 0.11 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2vcw h LEU 131 Cb 0.07 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2vcw h LEU 131 CO -0.11 0.94 0.18 -0.78 -0.34 0.00 0.00 178.44 178.34 2vcw h ASP 132 N 0.87 0.75 -0.14 1.25 -0.00 -0.95 0.36 116.42 118.55 2vcw h ASP 132 Ca 0.17 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.03 56.99 2vcw h ASP 132 Cb 0.47 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 2vcw h ASP 132 CO 0.02 0.74 0.00 0.74 -0.00 0.00 0.00 179.24 180.74 2vcw h THR 133 N 0.71 1.25 -0.93 2.25 2.02 -0.93 -0.98 112.91 116.30 2vcw h THR 133 Ca 0.17 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.58 2vcw h THR 133 Cb 0.24 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.11 2vcw h THR 133 CO -0.01 0.24 0.61 0.22 0.37 0.00 0.00 175.52 176.95 2vcw h TYR 134 N -0.01 1.14 -0.35 3.16 3.20 -0.60 -2.09 116.97 121.42 2vcw h TYR 134 Ca 0.04 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 2vcw h TYR 134 Cb 0.35 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 2vcw h TYR 134 CO 0.03 0.67 -0.42 1.25 -1.64 0.00 0.00 178.16 178.05 2vcw h LEU 135 N 1.19 0.98 0.00 2.82 5.85 -0.22 -3.47 115.31 122.46 2vcw h LEU 135 Ca 0.37 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2vcw h LEU 135 Cb -0.02 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2vcw h LEU 135 CO -0.11 1.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.87 2vcw n GLY 136 N 0.21 2.22 0.03 3.75 0.00 -0.38 -0.85 105.19 110.17 2vcw n GLY 136 Ca -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2vcw n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vcw n GLY 137 N 0.00 -0.92 3.79 -0.02 0.00 -1.26 -4.90 105.19 101.88 2vcw n GLY 137 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 2vcw n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vcw s ARG 138 N -1.98 3.05 -0.12 1.61 0.52 -0.03 -4.99 118.95 117.01 2vcw s ARG 138 Ca 0.02 1.23 -0.28 0.00 -0.52 0.00 0.00 55.73 56.18 2vcw s ARG 138 Cb 0.01 -1.99 -0.24 0.00 0.52 0.00 0.00 34.95 33.24 2vcw s ARG 138 CO 0.01 -1.03 0.84 0.93 0.02 0.00 0.00 175.30 176.07 2vcw h GLU 139 N 0.09 -0.00 -6.05 3.54 5.08 -1.88 -3.48 114.58 111.88 2vcw h GLU 139 Ca -0.46 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.30 2vcw h GLU 139 Cb 1.23 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 2vcw h GLU 139 CO 0.56 0.89 -0.73 -1.58 -1.00 0.00 0.00 179.01 177.15 2vcw s TRP 140 N -2.55 2.25 0.23 4.33 0.52 -1.26 -4.87 118.94 117.59 2vcw s TRP 140 Ca -0.18 -0.41 -0.07 0.00 0.02 0.00 0.00 56.10 55.45 2vcw s TRP 140 Cb -0.02 -1.08 0.22 0.00 -1.15 0.00 0.00 33.47 31.43 2vcw s TRP 140 CO 0.67 0.63 1.89 -0.07 0.02 0.00 0.00 176.95 180.10 2vcw h LEU 141 N 2.23 1.08 -8.00 2.99 3.38 -1.92 -3.42 115.31 111.64 2vcw h LEU 141 Ca -0.40 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 56.99 2vcw h LEU 141 Cb 1.25 -0.27 -0.33 0.00 0.09 0.00 0.00 40.66 41.40 2vcw h LEU 141 CO 0.63 0.81 -0.82 -0.63 0.09 0.00 0.00 178.44 178.53 2vcw s ILE 142 N -6.03 1.16 0.00 1.22 1.09 -1.26 -4.96 121.20 112.43 2vcw s ILE 142 Ca -0.13 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 58.92 2vcw s ILE 142 Cb 0.17 -1.06 0.00 0.00 -1.06 0.00 0.00 42.46 40.51 2vcw s ILE 142 CO 0.81 0.36 0.00 0.61 -0.10 0.00 0.00 174.94 176.62 2vcw n GLY 143 N 3.77 0.33 0.53 6.18 0.00 -1.26 -4.20 105.19 110.53 2vcw n GLY 143 Ca -0.23 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 44.98 2vcw n GLY 143 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2vcw n ASN 144 N -1.51 2.68 -3.98 1.61 6.94 -1.26 -4.58 115.26 115.15 2vcw n ASN 144 Ca 0.00 -1.93 -0.09 0.00 -0.02 0.00 0.00 54.58 52.54 2vcw n ASN 144 Cb 0.00 -0.18 -0.08 0.00 -2.36 0.00 0.00 39.78 37.16 2vcw n ASN 144 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2vcw s SER 145 N -0.98 0.20 0.43 0.53 1.04 -1.26 -4.93 113.70 108.73 2vcw s SER 145 Ca 0.19 -0.88 -0.26 0.00 0.48 0.00 0.00 55.95 55.48 2vcw s SER 145 Cb 0.10 0.33 -0.09 0.00 0.10 0.00 0.00 66.02 66.47 2vcw s SER 145 CO 0.13 -0.75 1.39 0.54 0.98 0.00 0.00 173.24 175.53 2vcw s VAL 146 N -3.94 2.25 0.35 5.02 0.11 -1.26 -4.75 120.40 118.18 2vcw s VAL 146 Ca 0.12 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 2vcw s VAL 146 Cb 0.06 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2vcw s VAL 146 CO -0.05 0.03 0.12 0.42 -3.33 0.00 0.00 175.10 172.28 2vcw s THR 147 N -1.22 0.68 -0.94 5.04 -4.23 -1.26 -4.49 115.64 109.23 2vcw s THR 147 Ca 0.59 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.24 2vcw s THR 147 Cb -0.42 -2.53 0.12 0.00 1.34 0.00 0.00 72.50 71.02 2vcw s THR 147 CO 0.54 0.00 1.45 -2.67 -0.54 0.00 0.00 174.62 173.40 2vcw n TRP 148 N -0.74 0.09 -0.16 3.99 4.27 -0.85 -2.00 117.44 122.06 2vcw n TRP 148 Ca -0.03 0.04 -0.09 0.00 -3.89 0.00 0.00 57.50 53.53 2vcw n TRP 148 Cb 0.65 -0.56 0.04 0.00 -1.36 0.00 0.00 31.31 30.09 2vcw n TRP 148 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2vcw h ALA 149 N 2.42 0.82 -0.57 -1.67 0.00 -1.88 0.30 119.26 118.69 2vcw h ALA 149 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2vcw h ALA 149 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2vcw h ALA 149 CO 0.00 0.66 -0.06 -0.44 0.00 0.00 0.00 179.25 179.41 2vcw h ASP 150 N 0.85 1.02 -0.42 0.00 3.32 -1.81 -0.42 116.42 118.96 2vcw h ASP 150 Ca 0.13 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2vcw h ASP 150 Cb 0.67 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2vcw h ASP 150 CO 0.05 1.10 0.22 -0.26 -1.72 0.00 0.00 179.24 178.63 2vcw h PHE 151 N 0.93 0.59 -0.67 4.55 -1.00 -1.49 -1.80 116.94 118.04 2vcw h PHE 151 Ca 0.16 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.85 2vcw h PHE 151 Cb 0.61 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 2vcw h PHE 151 CO 0.04 0.46 0.16 -0.92 -1.61 0.00 0.00 178.31 176.45 2vcw h TYR 152 N 0.54 1.11 0.02 -0.55 3.20 -0.65 -0.70 116.97 119.95 2vcw h TYR 152 Ca 0.15 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2vcw h TYR 152 Cb 0.08 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 2vcw h TYR 152 CO -0.02 0.90 -0.04 2.35 -1.64 0.00 0.00 178.16 179.71 2vcw h TRP 153 N 1.01 -0.11 -0.57 -3.82 2.91 -0.87 0.13 115.95 114.63 2vcw h TRP 153 Ca 0.21 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.25 2vcw h TRP 153 Cb 0.35 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 2vcw h TRP 153 CO 0.03 -0.07 0.37 1.49 -1.03 0.00 0.00 178.44 179.23 2vcw h GLU 154 N -0.09 0.72 0.49 2.65 4.22 -1.01 0.51 114.58 122.08 2vcw h GLU 154 Ca 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 2vcw h GLU 154 Cb 0.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2vcw h GLU 154 CO -0.03 0.48 -0.24 0.82 -2.18 0.00 0.00 179.01 177.86 2vcw h ILE 155 N 0.74 0.51 -0.55 2.32 2.04 -0.98 -1.79 117.51 119.79 2vcw h ILE 155 Ca 0.22 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2vcw h ILE 155 Cb -0.05 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 2vcw h ILE 155 CO -0.07 0.02 0.36 0.00 0.00 0.00 0.00 178.15 178.47 2vcw h SER 157 N 0.75 0.14 -0.56 0.00 4.64 -0.88 -1.40 113.55 116.24 2vcw h SER 157 Ca 0.20 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2vcw h SER 157 Cb -0.08 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 2vcw h SER 157 CO -0.04 0.31 0.36 0.74 -0.87 0.00 0.00 176.83 177.33 2vcw h THR 158 N 0.14 1.15 -0.09 2.95 2.02 -0.99 -0.46 112.91 117.63 2vcw h THR 158 Ca 0.03 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2vcw h THR 158 Cb 0.36 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2vcw h THR 158 CO 0.02 0.15 -0.21 0.74 0.37 0.00 0.00 175.52 176.59 2vcw h THR 159 N 0.75 1.40 -0.90 3.16 2.02 -1.35 -3.13 112.91 114.87 2vcw h THR 159 Ca 0.20 -1.52 0.11 0.00 0.77 0.00 0.00 66.41 65.97 2vcw h THR 159 Cb -0.07 2.17 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 2vcw h THR 159 CO -0.04 0.44 0.58 -0.07 0.37 0.00 0.00 175.52 176.79 2vcw h LEU 160 N -0.16 0.78 -1.66 2.58 3.38 -1.16 -1.20 115.31 117.88 2vcw h LEU 160 Ca -0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2vcw h LEU 160 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2vcw h LEU 160 CO 0.05 0.45 -0.19 -0.07 0.09 0.00 0.00 178.44 178.76 2vcw h LEU 161 N 0.86 0.00 -0.81 1.67 3.38 -1.06 0.69 115.31 120.05 2vcw h LEU 161 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 2vcw h LEU 161 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2vcw h LEU 161 CO -0.19 0.19 0.36 0.58 0.09 0.00 0.00 178.44 179.48 2vcw h VAL 162 N 0.00 1.26 0.00 1.22 2.07 -1.16 -2.44 116.25 117.20 2vcw h VAL 162 Ca -0.00 -0.75 -0.16 0.00 0.82 0.00 0.00 66.70 66.61 2vcw h VAL 162 Cb 0.37 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2vcw h VAL 162 CO 0.03 0.32 -1.41 0.49 0.02 0.00 0.00 177.57 177.01 2vcw n PHE 163 N -4.32 0.96 -3.46 1.57 3.01 -0.89 -4.59 117.46 109.75 2vcw n PHE 163 Ca 0.08 0.32 -0.28 0.00 1.01 0.00 0.00 57.45 58.58 2vcw n PHE 163 Cb 0.16 -1.07 -0.11 0.00 -0.01 0.00 0.00 39.48 38.45 2vcw n PHE 163 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2vcw s LYS 164 N -2.95 0.97 0.65 -1.08 2.20 0.19 -5.00 119.74 114.71 2vcw s LYS 164 Ca -0.03 -2.06 0.35 0.00 -0.36 0.00 0.00 55.97 53.88 2vcw s LYS 164 Cb 0.09 -1.58 1.96 0.00 -1.51 0.00 0.00 37.83 36.78 2vcw s LYS 164 CO 0.81 -1.34 2.15 -1.35 -0.36 0.00 0.00 175.35 175.26 2vcw h PRO 165 N 5.91 0.00 -0.39 4.03 0.11 -1.67 -1.68 132.00 138.30 2vcw h PRO 165 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2vcw h PRO 165 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2vcw h PRO 165 CO 0.38 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.77 2vcw n ASP 166 N -3.23 2.74 -0.33 -2.05 5.75 -1.26 -4.62 116.55 113.56 2vcw n ASP 166 Ca -0.01 -1.92 0.14 0.00 -0.01 0.00 0.00 54.79 52.99 2vcw n ASP 166 Cb 0.24 -0.26 0.29 0.00 -1.03 0.00 0.00 41.12 40.37 2vcw n ASP 166 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2vcw h LEU 167 N 3.33 -0.37 -3.11 -2.12 5.85 -1.67 -1.91 115.31 115.31 2vcw h LEU 167 Ca 0.00 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2vcw h LEU 167 Cb 0.74 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2vcw h LEU 167 CO 0.00 -0.32 0.00 0.18 -0.34 0.00 0.00 178.44 177.96 2vcw n LEU 168 N -5.43 3.37 0.22 2.25 4.77 -1.26 -4.68 117.00 116.23 2vcw n LEU 168 Ca 0.23 -2.68 0.14 0.00 -0.03 0.00 0.00 56.01 53.67 2vcw n LEU 168 Cb 0.75 -0.42 0.79 0.00 -2.33 0.00 0.00 43.42 42.22 2vcw n LEU 168 CO -0.04 0.68 1.12 0.44 -1.33 0.00 0.00 177.39 178.27 2vcw h ASP 169 N 1.59 0.00 -0.23 -1.43 3.32 -1.65 -1.57 116.42 116.45 2vcw h ASP 169 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2vcw h ASP 169 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2vcw h ASP 169 CO 0.13 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.24 2vcw n ASN 170 N -4.08 3.39 -3.22 6.45 3.02 -1.26 -4.81 115.26 114.75 2vcw n ASN 170 Ca -0.00 -2.75 -0.24 0.00 -0.03 0.00 0.00 54.58 51.56 2vcw n ASN 170 Cb 0.22 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 2vcw n ASN 170 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2vcw n HIS 171 N -0.40 1.58 -0.17 3.10 8.25 -0.59 -4.95 115.22 122.04 2vcw n HIS 171 Ca 0.17 -3.85 0.17 0.00 -0.26 0.00 0.00 57.72 53.95 2vcw n HIS 171 Cb 0.73 -0.45 0.52 0.00 1.12 0.00 0.00 29.99 31.91 2vcw n HIS 171 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2vcw h PRO 172 N 3.69 0.37 -0.52 -0.41 0.13 -1.88 -1.04 132.00 132.34 2vcw h PRO 172 Ca 0.12 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2vcw h PRO 172 Cb 0.78 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 2vcw h PRO 172 CO 0.63 0.25 0.27 0.00 -0.23 0.00 0.00 178.00 178.92 2vcw h ARG 173 N 0.38 0.72 -0.02 0.86 3.08 -1.95 0.10 114.38 117.56 2vcw h ARG 173 Ca 0.39 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 60.16 2vcw h ARG 173 Cb 0.95 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 2vcw h ARG 173 CO -0.12 0.54 -0.86 -0.07 -1.07 0.00 0.00 179.97 178.40 2vcw h LEU 174 N 0.73 0.43 -0.33 3.04 3.38 -1.60 -2.53 115.31 118.42 2vcw h LEU 174 Ca 0.18 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2vcw h LEU 174 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2vcw h LEU 174 CO -0.03 1.10 0.08 0.58 0.09 0.00 0.00 178.44 180.27 2vcw h VAL 175 N 0.20 1.22 -0.51 1.22 2.07 -0.99 -2.56 116.25 116.90 2vcw h VAL 175 Ca -0.05 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.82 2vcw h VAL 175 Cb 1.47 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.24 2vcw h VAL 175 CO 0.14 0.25 0.10 0.74 0.02 0.00 0.00 177.57 178.82 2vcw h THR 176 N 0.38 0.71 -0.82 2.57 2.02 -0.73 -0.55 112.91 116.48 2vcw h THR 176 Ca 0.10 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2vcw h THR 176 Cb 0.29 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 2vcw h THR 176 CO 0.00 0.04 0.40 0.25 0.37 0.00 0.00 175.52 176.58 2vcw h LEU 177 N 0.23 1.07 -0.23 2.58 5.85 -1.34 0.07 115.31 123.55 2vcw h LEU 177 Ca 0.26 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2vcw h LEU 177 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2vcw h LEU 177 CO -0.34 0.91 0.13 0.03 -0.34 0.00 0.00 178.44 178.83 2vcw h ARG 178 N 1.17 0.26 -0.75 1.25 3.08 -0.95 -1.44 114.38 116.99 2vcw h ARG 178 Ca 0.28 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.34 2vcw h ARG 178 Cb 0.12 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 2vcw h ARG 178 CO -0.04 0.17 0.48 0.87 -1.07 0.00 0.00 179.97 180.39 2vcw h LYS 179 N 0.27 0.92 -0.20 0.04 1.57 -0.68 0.31 116.57 118.79 2vcw h LYS 179 Ca 0.09 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2vcw h LYS 179 Cb 0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2vcw h LYS 179 CO -0.05 0.61 0.11 0.87 -0.57 0.00 0.00 179.45 180.42 2vcw h LYS 180 N 0.95 0.28 -0.40 3.15 1.57 -0.72 -0.70 116.57 120.71 2vcw h LYS 180 Ca 0.30 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 2vcw h LYS 180 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2vcw h LYS 180 CO -0.10 0.26 0.18 0.28 -0.57 0.00 0.00 179.45 179.50 2vcw h VAL 181 N 0.22 1.18 0.00 0.50 2.07 -0.92 -2.60 116.25 116.70 2vcw h VAL 181 Ca 0.07 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2vcw h VAL 181 Cb 0.06 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2vcw h VAL 181 CO -0.01 0.20 0.00 1.56 0.02 0.00 0.00 177.57 179.34 2vcw h GLN 182 N 0.50 0.00 -0.00 1.57 4.20 -0.73 -2.55 115.11 118.10 2vcw h GLN 182 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2vcw h GLN 182 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2vcw h GLN 182 CO -0.01 0.00 -0.43 0.00 -0.67 0.00 0.00 178.83 177.72 2vcw n ALA 183 N -2.01 3.37 -1.78 3.87 0.00 -0.29 -3.53 120.51 120.14 2vcw n ALA 183 Ca -0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2vcw n ALA 183 Cb 0.18 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2vcw n ALA 183 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vcw s ILE 184 N -2.98 3.03 0.28 0.00 1.01 -0.96 -4.83 121.20 116.74 2vcw s ILE 184 Ca 0.12 0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2vcw s ILE 184 Cb 0.18 -3.14 0.27 0.00 0.01 0.00 0.00 42.46 39.77 2vcw s ILE 184 CO 0.67 -0.01 1.74 -0.65 0.00 0.00 0.00 174.94 176.69 2vcw h PRO 185 N 9.67 0.55 -0.71 2.79 0.11 -1.90 0.20 132.00 142.70 2vcw h PRO 185 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2vcw h PRO 185 Cb 1.22 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2vcw h PRO 185 CO 0.94 0.36 0.21 0.00 -0.21 0.00 0.00 178.00 179.30 2vcw h ALA 186 N 1.62 1.02 -0.04 -0.75 0.00 -1.90 -1.31 119.26 117.90 2vcw h ALA 186 Ca 0.51 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2vcw h ALA 186 Cb 0.83 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vcw h ALA 186 CO -0.42 0.65 -0.06 0.28 0.00 0.00 0.00 179.25 179.71 2vcw h VAL 187 N 1.06 1.41 -0.74 0.00 2.07 -1.60 -2.60 116.25 115.86 2vcw h VAL 187 Ca 0.23 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.55 2vcw h VAL 187 Cb 0.32 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 2vcw h VAL 187 CO -0.01 0.35 0.37 0.00 0.02 0.00 0.00 177.57 178.31 2vcw h ALA 188 N 0.49 1.04 -0.48 1.67 0.00 -0.59 0.70 119.26 122.09 2vcw h ALA 188 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2vcw h ALA 188 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2vcw h ALA 188 CO 0.01 -0.05 -0.07 -0.91 0.00 0.00 0.00 179.25 178.23 2vcw h ASN 189 N 0.61 0.83 -0.18 0.00 2.35 -1.27 -1.69 115.58 116.22 2vcw h ASN 189 Ca 0.37 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 2vcw h ASN 189 Cb 0.42 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 2vcw h ASN 189 CO -0.29 0.93 -0.05 -0.25 -1.65 0.00 0.00 177.43 176.12 2vcw h TRP 190 N 0.77 0.41 -0.83 1.19 2.91 -0.93 -2.53 115.95 116.93 2vcw h TRP 190 Ca 0.14 -0.09 0.10 0.00 1.13 0.00 0.00 58.89 60.17 2vcw h TRP 190 Cb 0.56 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.04 2vcw h TRP 190 CO 0.03 0.62 0.47 0.82 -1.03 0.00 0.00 178.44 179.36 2vcw h ILE 191 N 0.07 0.89 -0.78 2.65 2.04 -0.75 0.52 117.51 122.15 2vcw h ILE 191 Ca 0.05 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2vcw h ILE 191 Cb 0.50 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 2vcw h ILE 191 CO 0.02 0.14 0.32 0.50 0.00 0.00 0.00 178.15 179.13 2vcw h LYS 192 N 0.78 1.16 0.00 2.37 3.64 -1.23 -3.29 116.57 120.00 2vcw h LYS 192 Ca 0.40 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2vcw h LYS 192 Cb 0.39 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2vcw h LYS 192 CO -0.26 0.94 -1.49 2.89 -2.27 0.00 0.00 179.45 179.26 2vcw n ARG 193 N -4.30 0.63 -1.72 1.90 1.85 -0.79 -4.98 116.66 109.25 2vcw n ARG 193 Ca 0.07 -0.01 -0.35 0.00 -1.00 0.00 0.00 57.85 56.55 2vcw n ARG 193 Cb 0.18 -1.69 0.06 0.00 -1.05 0.00 0.00 32.46 29.97 2vcw n ARG 193 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2vcw s ARG 194 N -3.39 2.55 0.22 2.89 1.70 0.10 -4.92 118.95 118.12 2vcw s ARG 194 Ca -0.04 1.85 -0.32 0.00 -0.47 0.00 0.00 55.73 56.75 2vcw s ARG 194 Cb 0.11 -1.87 -0.13 0.00 -0.57 0.00 0.00 34.95 32.49 2vcw s ARG 194 CO 0.84 -1.54 1.50 -2.30 -1.08 0.00 0.00 175.30 172.72 2vcw n PRO 195 N -2.11 2.20 -2.42 3.89 -0.02 -1.26 -4.92 135.00 130.36 2vcw n PRO 195 Ca 0.14 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 2vcw n PRO 195 Cb 0.49 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2vcw n PRO 195 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2vcw s GLN 196 N 0.01 4.21 0.12 -0.52 0.74 -1.26 -4.94 119.66 118.02 2vcw s GLN 196 Ca 0.71 1.65 0.01 0.00 0.05 0.00 0.00 55.36 57.78 2vcw s GLN 196 Cb -0.63 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 29.66 2vcw s GLN 196 CO 0.45 -0.74 -0.03 0.95 -0.55 0.00 0.00 175.29 175.37 2vcw s THR 197 N 3.57 0.62 -0.02 -0.34 -4.23 -1.26 -5.06 115.64 108.91 2vcw s THR 197 Ca 0.55 -1.94 -0.22 0.00 -1.18 0.00 0.00 61.69 58.90 2vcw s THR 197 Cb -0.22 -1.84 -0.23 0.00 1.34 0.00 0.00 72.50 71.56 2vcw s THR 197 CO 0.15 -0.73 1.06 0.50 -0.54 0.00 0.00 174.62 175.07 2vcw h LYS 198 N 2.88 0.29 -0.02 3.99 3.64 -1.94 -3.48 116.57 121.93 2vcw h LYS 198 Ca -0.36 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 2vcw h LYS 198 Cb 1.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2vcw h LYS 198 CO 0.64 1.00 0.00 1.28 -2.27 0.00 0.00 179.45 180.10