#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 6.24 -0.17 2.55 3.04 -1.26 -4.94 114.94 120.40 2vcw s ASN 3 Ca 0.00 -0.85 -0.07 0.00 0.04 0.00 0.00 52.86 51.97 2vcw s ASN 3 Cb 0.00 -2.37 -0.04 0.00 -1.54 0.00 0.00 41.25 37.30 2vcw s ASN 3 CO 0.00 -1.17 0.09 -0.31 -3.04 0.00 0.00 177.10 172.67 2vcw s TYR 4 N 3.40 3.35 -0.14 0.43 2.02 -1.26 -0.71 117.35 124.44 2vcw s TYR 4 Ca 0.21 0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2vcw s TYR 4 Cb -0.17 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.38 2vcw s TYR 4 CO 0.13 0.33 -0.03 0.21 -1.57 0.00 0.00 175.55 174.61 2vcw s LYS 5 N -0.03 1.18 -0.19 -0.62 2.20 -0.07 -1.16 119.74 121.06 2vcw s LYS 5 Ca 0.08 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.23 2vcw s LYS 5 Cb -0.12 -1.74 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 2vcw s LYS 5 CO 0.00 -0.40 0.23 -1.17 -0.36 0.00 0.00 175.35 173.66 2vcw s LEU 6 N 1.75 4.20 -0.13 5.43 2.96 -0.01 -0.37 118.68 132.50 2vcw s LEU 6 Ca 0.02 0.36 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 2vcw s LEU 6 Cb -0.14 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 2vcw s LEU 6 CO -0.07 0.10 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.00 2vcw s THR 7 N 0.61 2.66 0.29 3.68 2.01 -0.45 -0.80 115.64 123.64 2vcw s THR 7 Ca 0.13 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 2vcw s THR 7 Cb -0.13 -2.10 0.06 0.00 0.01 0.00 0.00 72.50 70.34 2vcw s THR 7 CO 0.02 0.53 0.78 0.00 -0.69 0.00 0.00 174.62 175.26 2vcw n TYR 8 N 3.77 -1.90 -1.62 4.92 9.36 -0.84 -2.44 117.16 128.40 2vcw n TYR 8 Ca -0.19 -1.48 -0.29 0.00 3.32 0.00 0.00 57.90 59.26 2vcw n TYR 8 Cb 0.52 0.74 0.15 0.00 -0.63 0.00 0.00 39.34 40.12 2vcw n TYR 8 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2vcw s PHE 9 N -2.76 2.15 -1.20 2.98 0.08 -1.26 -1.18 117.98 116.79 2vcw s PHE 9 Ca 0.16 0.68 -0.17 0.00 0.12 0.00 0.00 56.93 57.73 2vcw s PHE 9 Cb -0.04 -3.57 0.12 0.00 -0.57 0.00 0.00 43.02 38.96 2vcw s PHE 9 CO 0.09 -2.51 1.52 1.21 -0.10 0.00 0.00 175.22 175.43 2vcw s ASN 10 N -4.28 6.89 -0.02 1.36 2.47 -1.24 -4.63 114.94 115.49 2vcw s ASN 10 Ca 0.66 -2.56 -0.30 0.00 0.42 0.00 0.00 52.86 51.08 2vcw s ASN 10 Cb -0.11 -2.48 0.11 0.00 -1.45 0.00 0.00 41.25 37.31 2vcw s ASN 10 CO 0.53 -1.00 1.03 0.00 -3.72 0.00 0.00 177.10 173.93 2vcw s MET 11 N 2.99 0.71 -0.00 0.43 0.23 -1.26 -4.97 119.30 117.44 2vcw s MET 11 Ca 0.46 -0.31 -0.07 0.00 -1.03 0.00 0.00 55.69 54.74 2vcw s MET 11 Cb -0.00 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 2vcw s MET 11 CO 0.01 -0.32 0.72 0.00 -2.03 0.00 0.00 175.02 173.41 2vcw h ARG 12 N 2.00 -0.23 0.00 3.16 3.08 -1.25 -3.45 114.38 117.69 2vcw h ARG 12 Ca -0.20 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2vcw h ARG 12 Cb 1.22 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2vcw h ARG 12 CO 0.27 -0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 2vcw n GLY 13 N -0.01 2.05 0.08 0.04 0.00 -1.26 -1.48 105.19 104.61 2vcw n GLY 13 Ca -0.03 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 0.68 0.07 1.61 1.74 -1.26 -3.44 116.66 130.07 2vcw n ARG 14 Ca 0.00 -0.16 0.10 0.00 -0.77 0.00 0.00 57.85 57.02 2vcw n ARG 14 Cb 0.00 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.90 2vcw n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2vcw n ALA 15 N -1.02 2.49 -0.36 7.54 0.00 -0.93 -4.46 120.51 123.77 2vcw n ALA 15 Ca 0.16 -0.34 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2vcw n ALA 15 Cb 0.25 -1.01 0.22 0.00 0.00 0.00 0.00 19.45 18.90 2vcw n ALA 15 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2vcw h GLU 16 N 0.00 1.04 -0.93 0.00 4.57 -1.28 -1.34 114.58 116.64 2vcw h GLU 16 Ca -0.03 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2vcw h GLU 16 Cb 1.09 -0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 29.38 2vcw h GLU 16 CO 0.01 0.69 0.60 0.97 -1.18 0.00 0.00 179.01 180.09 2vcw h ILE 17 N 1.07 1.09 -0.34 2.32 6.09 -1.82 0.24 117.51 126.15 2vcw h ILE 17 Ca 0.46 -0.38 -0.02 0.00 -1.37 0.00 0.00 64.86 63.55 2vcw h ILE 17 Cb 0.34 -0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.50 2vcw h ILE 17 CO -0.22 0.20 0.12 0.40 -3.07 0.00 0.00 178.15 175.58 2vcw h ILE 18 N 1.10 1.20 -0.93 2.19 2.04 -1.54 -2.13 117.51 119.45 2vcw h ILE 18 Ca 0.40 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2vcw h ILE 18 Cb 0.13 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2vcw h ILE 18 CO -0.16 0.22 0.61 0.03 0.00 0.00 0.00 178.15 178.85 2vcw h ARG 19 N 0.40 1.22 -0.65 2.37 3.08 -0.81 -0.66 114.38 119.34 2vcw h ARG 19 Ca 0.11 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2vcw h ARG 19 Cb 0.23 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2vcw h ARG 19 CO -0.01 0.82 0.25 1.88 -1.07 0.00 0.00 179.97 181.84 2vcw h TYR 20 N 1.26 1.01 -0.19 3.04 -1.99 -0.85 -1.82 116.97 117.43 2vcw h TYR 20 Ca 0.34 -0.08 -0.02 0.00 2.00 0.00 0.00 58.73 60.97 2vcw h TYR 20 Cb -0.13 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 38.29 2vcw h TYR 20 CO -0.00 0.80 0.05 0.82 -0.00 0.00 0.00 178.16 179.82 2vcw h ILE 21 N 0.92 1.20 -0.29 -2.88 2.04 -0.87 0.10 117.51 117.75 2vcw h ILE 21 Ca 0.22 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.46 2vcw h ILE 21 Cb 0.23 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 2vcw h ILE 21 CO -0.02 0.20 0.07 -0.26 0.00 0.00 0.00 178.15 178.14 2vcw h PHE 22 N 0.11 0.12 -0.19 1.37 0.04 -1.06 -0.84 116.94 116.49 2vcw h PHE 22 Ca 0.06 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.87 2vcw h PHE 22 Cb 0.27 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2vcw h PHE 22 CO 0.01 0.04 0.03 0.00 -0.60 0.00 0.00 178.31 177.79 2vcw h ALA 23 N 1.20 0.19 -0.71 2.45 0.00 -1.14 -1.18 119.26 120.07 2vcw h ALA 23 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2vcw h ALA 23 Cb 0.13 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2vcw h ALA 23 CO -0.16 -0.40 0.36 -0.92 0.00 0.00 0.00 179.25 178.12 2vcw h TYR 24 N 0.11 1.01 -0.07 0.00 3.20 -0.74 -2.43 116.97 118.04 2vcw h TYR 24 Ca 0.08 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2vcw h TYR 24 Cb 0.08 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.04 2vcw h TYR 24 CO -0.14 0.74 0.00 1.28 -1.64 0.00 0.00 178.16 178.39 2vcw n LEU 25 N -4.45 0.76 -3.77 2.82 4.77 -0.34 -4.93 117.00 111.86 2vcw n LEU 25 Ca 0.06 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 2vcw n LEU 25 Cb 0.12 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2vcw n LEU 25 CO 0.38 0.15 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.90 2vcw n ASP 26 N -0.30 -2.05 -4.49 -1.43 2.03 -0.60 -4.98 116.55 104.73 2vcw n ASP 26 Ca 0.16 -0.82 -0.35 0.00 0.52 0.00 0.00 54.79 54.30 2vcw n ASP 26 Cb 0.19 -3.95 -0.12 0.00 -0.72 0.00 0.00 41.12 36.52 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 -3.59 4.19 0.30 5.18 1.01 -0.55 -5.05 121.20 122.69 2vcw s ILE 27 Ca 0.17 -0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.32 2vcw s ILE 27 Cb -0.09 -2.90 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 2vcw s ILE 27 CO 0.82 0.42 1.02 -1.10 0.00 0.00 0.00 174.94 176.10 2vcw s GLN 28 N 0.95 4.58 0.17 2.79 -1.52 -1.26 -4.61 119.66 120.76 2vcw s GLN 28 Ca 0.02 1.57 -0.23 0.00 -1.95 0.00 0.00 55.36 54.78 2vcw s GLN 28 Cb -0.14 -2.99 0.06 0.00 -0.22 0.00 0.00 33.01 29.72 2vcw s GLN 28 CO 0.02 0.22 0.62 1.52 -0.25 0.00 0.00 175.29 177.43 2vcw s TYR 29 N -1.36 -0.49 -0.27 0.91 1.13 -1.26 -4.46 117.35 111.55 2vcw s TYR 29 Ca 0.48 0.25 -0.17 0.00 -1.41 0.00 0.00 57.07 56.21 2vcw s TYR 29 Cb -0.26 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.15 2vcw s TYR 29 CO 0.33 -0.90 0.49 -2.00 -2.51 0.00 0.00 175.55 170.96 2vcw s GLU 30 N -3.76 4.03 -1.22 -3.49 2.12 -0.31 -4.99 118.70 111.09 2vcw s GLU 30 Ca 0.02 0.24 -0.12 0.00 0.36 0.00 0.00 54.97 55.48 2vcw s GLU 30 Cb -0.02 -3.66 0.18 0.00 0.26 0.00 0.00 34.13 30.89 2vcw s GLU 30 CO -0.10 -0.36 1.56 -3.47 -0.54 0.00 0.00 175.26 172.35 2vcw n ASP 31 N 5.52 5.26 -4.62 -1.70 2.03 -1.26 -0.83 116.55 120.94 2vcw n ASP 31 Ca -0.05 -3.04 -0.43 0.00 0.52 0.00 0.00 54.79 51.79 2vcw n ASP 31 Cb 0.50 -1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.36 2vcw n ASP 31 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2vcw s HIS 32 N 0.80 2.87 -0.17 -0.67 5.65 0.02 -5.01 115.29 118.78 2vcw s HIS 32 Ca 0.40 0.93 -0.04 0.00 0.25 0.00 0.00 55.06 56.60 2vcw s HIS 32 Cb 0.01 -4.02 -0.03 0.00 -1.18 0.00 0.00 32.58 27.36 2vcw s HIS 32 CO 0.00 -1.26 -0.03 1.03 -0.65 0.00 0.00 174.74 173.84 2vcw s ARG 33 N 4.13 3.64 0.19 2.88 0.52 -1.26 -1.99 118.95 127.06 2vcw s ARG 33 Ca 0.50 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 2vcw s ARG 33 Cb -0.12 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.34 2vcw s ARG 33 CO 0.24 0.15 0.12 0.96 0.02 0.00 0.00 175.30 176.78 2vcw s ILE 34 N 0.61 4.28 0.23 1.52 -4.36 -0.32 -4.88 121.20 118.28 2vcw s ILE 34 Ca -0.02 -1.26 0.05 0.00 -0.26 0.00 0.00 60.65 59.16 2vcw s ILE 34 Cb -0.14 -3.22 -0.03 0.00 1.25 0.00 0.00 42.46 40.32 2vcw s ILE 34 CO 0.02 -0.18 0.31 -1.83 0.24 0.00 0.00 174.94 173.50 2vcw s GLU 35 N -3.28 3.32 0.35 0.37 1.03 -1.26 -3.63 118.70 115.60 2vcw s GLU 35 Ca 0.31 -0.80 0.15 0.00 0.03 0.00 0.00 54.97 54.66 2vcw s GLU 35 Cb -0.09 -2.83 1.08 0.00 -0.80 0.00 0.00 34.13 31.49 2vcw s GLU 35 CO 0.23 0.44 1.69 1.96 -1.33 0.00 0.00 175.26 178.24 2vcw h GLN 36 N 1.43 0.36 -0.04 -4.83 1.08 -2.00 -1.26 115.11 109.83 2vcw h GLN 36 Ca -0.51 -0.02 0.01 0.00 -1.45 0.00 0.00 58.65 56.68 2vcw h GLN 36 Cb 1.23 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2vcw h GLN 36 CO 0.62 0.24 0.03 0.00 -0.95 0.00 0.00 178.83 178.77 2vcw h ALA 37 N 1.78 2.02 -0.01 3.87 0.00 -2.06 -1.92 119.26 122.94 2vcw h ALA 37 Ca 0.71 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.62 2vcw h ALA 37 Cb 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2vcw h ALA 37 CO -0.53 -0.05 -0.19 -0.25 0.00 0.00 0.00 179.25 178.23 2vcw n ASP 38 N -4.50 1.27 0.02 0.00 10.43 -0.48 -4.45 116.55 118.85 2vcw n ASP 38 Ca -0.02 -1.13 -0.12 0.00 2.57 0.00 0.00 54.79 56.08 2vcw n ASP 38 Cb 0.13 0.11 -0.09 0.00 1.84 0.00 0.00 41.12 43.11 2vcw n ASP 38 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 2vcw h TRP 39 N 1.70 -0.10 -0.78 1.24 -0.00 -1.38 -3.01 115.95 113.63 2vcw h TRP 39 Ca 0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 58.89 59.07 2vcw h TRP 39 Cb 0.53 0.03 -0.13 0.00 -0.00 0.00 0.00 29.16 29.60 2vcw h TRP 39 CO 0.00 0.40 0.10 -1.35 -0.00 0.00 0.00 178.44 177.60 2vcw h PRO 40 N -0.66 0.16 -0.28 2.65 0.11 -1.78 0.38 132.00 132.58 2vcw h PRO 40 Ca -0.01 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 2vcw h PRO 40 Cb 0.54 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2vcw h PRO 40 CO 0.02 0.11 -0.02 1.49 -0.21 0.00 0.00 178.00 179.39 2vcw h GLU 41 N 0.17 0.51 -0.03 1.05 4.81 -1.86 -2.75 114.58 116.47 2vcw h GLU 41 Ca 0.45 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2vcw h GLU 41 Cb 0.82 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2vcw h GLU 41 CO -0.63 0.68 0.02 0.82 -0.73 0.00 0.00 179.01 179.17 2vcw h ILE 42 N 0.29 1.05 -0.81 2.32 2.04 -1.17 -3.09 117.51 118.13 2vcw h ILE 42 Ca 0.08 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 65.97 2vcw h ILE 42 Cb 0.46 1.07 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 2vcw h ILE 42 CO 0.02 0.04 0.35 0.50 0.00 0.00 0.00 178.15 179.06 2vcw h LYS 43 N -0.00 0.45 0.00 2.37 3.64 -0.26 -0.52 116.57 122.25 2vcw h LYS 43 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2vcw h LYS 43 Cb 0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2vcw h LYS 43 CO -0.00 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 2vcw h SER 44 N 0.47 0.00 0.53 4.20 4.64 -1.40 -2.01 113.55 119.98 2vcw h SER 44 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2vcw h SER 44 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2vcw h SER 44 CO -0.43 0.00 -0.73 0.35 -0.87 0.00 0.00 176.83 175.15 2vcw n THR 45 N -2.70 0.14 -3.23 2.95 -2.24 -0.21 -4.90 114.28 104.09 2vcw n THR 45 Ca -0.01 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.24 2vcw n THR 45 Cb 0.12 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.49 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 -3.58 4.14 0.31 3.22 1.43 -0.76 -4.98 118.68 118.47 2vcw s LEU 46 Ca 0.07 0.69 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2vcw s LEU 46 Cb 0.15 -2.73 0.88 0.00 0.03 0.00 0.00 46.19 44.53 2vcw s LEU 46 CO 0.75 -0.20 1.66 -0.65 0.23 0.00 0.00 176.35 178.14 2vcw h PRO 47 N 7.48 0.26 -0.04 1.29 0.11 -1.90 -2.22 132.00 136.98 2vcw h PRO 47 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2vcw h PRO 47 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2vcw h PRO 47 CO 0.74 0.17 0.00 1.19 -0.21 0.00 0.00 178.00 179.90 2vcw n PHE 48 N -5.14 0.04 -1.82 0.65 3.01 -1.26 -5.01 117.46 107.92 2vcw n PHE 48 Ca 0.26 -0.04 -0.19 0.00 1.01 0.00 0.00 57.45 58.49 2vcw n PHE 48 Cb 0.82 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.23 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 0.64 1.03 3.22 1.37 0.00 -0.84 -4.99 105.19 105.62 2vcw n GLY 49 Ca 0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.05 0.96 0.25 1.61 1.02 -1.26 -4.94 119.74 113.32 2vcw s LYS 50 Ca 0.00 -1.20 0.12 0.00 0.02 0.00 0.00 55.97 54.90 2vcw s LYS 50 Cb 0.00 -0.77 -0.05 0.00 -0.52 0.00 0.00 37.83 36.49 2vcw s LYS 50 CO 0.00 0.14 -0.21 0.96 -0.92 0.00 0.00 175.35 175.32 2vcw s ILE 51 N -2.22 2.48 0.67 2.17 -4.36 -1.26 -4.55 121.20 114.13 2vcw s ILE 51 Ca 0.07 -2.24 -0.12 0.00 -0.26 0.00 0.00 60.65 58.10 2vcw s ILE 51 Cb -0.04 -2.26 0.00 0.00 1.25 0.00 0.00 42.46 41.41 2vcw s ILE 51 CO 0.02 -0.29 1.06 -2.16 0.24 0.00 0.00 174.94 173.81 2vcw s PRO 52 N -3.20 2.98 0.11 0.37 0.04 -1.26 -4.99 135.00 129.05 2vcw s PRO 52 Ca 0.27 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2vcw s PRO 52 Cb -0.06 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2vcw s PRO 52 CO 0.13 -1.07 -0.14 0.96 0.04 0.00 0.00 177.00 176.92 2vcw s ILE 53 N -2.88 1.28 -0.09 0.56 -4.36 -1.02 -3.87 121.20 110.82 2vcw s ILE 53 Ca 0.60 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 59.37 2vcw s ILE 53 Cb -0.15 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.14 2vcw s ILE 53 CO 0.50 -0.38 -0.13 -0.22 0.24 0.00 0.00 174.94 174.95 2vcw s LEU 54 N -2.30 1.63 -0.22 0.37 2.96 0.01 -1.34 118.68 119.79 2vcw s LEU 54 Ca 0.07 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 2vcw s LEU 54 Cb -0.06 -0.95 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2vcw s LEU 54 CO 0.03 0.01 0.24 -1.61 -1.32 0.00 0.00 176.35 173.69 2vcw s GLU 55 N 0.91 4.12 -0.31 1.98 2.02 0.50 0.46 118.70 128.39 2vcw s GLU 55 Ca -0.09 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 54.81 2vcw s GLU 55 Cb -0.15 -3.52 0.08 0.00 0.10 0.00 0.00 34.13 30.63 2vcw s GLU 55 CO 0.00 0.06 0.00 0.08 0.02 0.00 0.00 175.26 175.42 2vcw s VAL 56 N 1.06 2.45 -1.52 2.63 1.01 0.79 -0.89 120.40 125.92 2vcw s VAL 56 Ca 0.11 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.05 2vcw s VAL 56 Cb -0.14 -2.61 0.08 0.00 0.00 0.00 0.00 36.38 33.72 2vcw s VAL 56 CO 0.05 -0.33 0.93 0.47 0.00 0.00 0.00 175.10 176.22 2vcw n ASP 57 N 4.40 -4.25 0.00 3.32 8.00 0.11 -1.52 116.55 126.61 2vcw n ASP 57 Ca -0.06 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2vcw n ASP 57 Cb 0.42 -3.81 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 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 -1.67 1.33 3.70 0.44 0.00 -1.26 -5.03 105.19 102.70 2vcw n GLY 58 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 2vcw n GLY 58 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vcw s LEU 59 N 0.00 4.17 -0.14 0.99 1.43 -0.58 -5.07 118.68 119.49 2vcw s LEU 59 Ca 0.00 0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 53.09 2vcw s LEU 59 Cb 0.00 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2vcw s LEU 59 CO 0.00 0.14 0.56 -0.89 0.23 0.00 0.00 176.35 176.39 2vcw s THR 60 N 0.62 5.11 0.11 5.49 2.01 -1.26 -0.15 115.64 127.57 2vcw s THR 60 Ca 0.08 1.10 0.07 0.00 0.31 0.00 0.00 61.69 63.25 2vcw s THR 60 Cb -0.12 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2vcw s THR 60 CO 0.00 0.23 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.34 2vcw s LEU 61 N 1.16 3.16 0.33 4.42 1.43 0.17 -4.97 118.68 124.38 2vcw s LEU 61 Ca 0.28 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2vcw s LEU 61 Cb -0.16 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2vcw s LEU 61 CO 0.12 0.17 0.16 -1.38 0.23 0.00 0.00 176.35 175.64 2vcw s HIS 62 N -1.30 1.67 -0.03 0.29 -3.43 -1.26 -0.81 115.29 110.41 2vcw s HIS 62 Ca 0.23 -1.36 -0.02 0.00 -0.80 0.00 0.00 55.06 53.11 2vcw s HIS 62 Cb -0.11 -0.93 0.01 0.00 -1.43 0.00 0.00 32.58 30.12 2vcw s HIS 62 CO 0.15 -0.48 0.05 1.04 -2.00 0.00 0.00 174.74 173.50 2vcw n GLN 63 N -0.65 -1.82 -0.31 -0.38 1.13 -1.25 -4.37 117.38 109.73 2vcw n GLN 63 Ca -0.00 1.66 0.04 0.00 -1.94 0.00 0.00 57.00 56.76 2vcw n GLN 63 Cb 0.65 -2.29 0.19 0.00 0.11 0.00 0.00 30.24 28.90 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 1.54 0.70 0.76 1.08 4.64 -1.87 -0.67 113.55 119.74 2vcw h SER 64 Ca -0.11 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.06 2vcw h SER 64 Cb 0.24 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2vcw h SER 64 CO 0.00 0.38 -0.94 -0.07 -0.87 0.00 0.00 176.83 175.33 2vcw h LEU 65 N 0.81 0.14 -0.59 5.97 3.38 -1.91 -0.10 115.31 123.01 2vcw h LEU 65 Ca 0.42 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2vcw h LEU 65 Cb 0.42 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2vcw h LEU 65 CO -0.27 1.00 0.17 0.00 0.09 0.00 0.00 178.44 179.44 2vcw h ALA 66 N 0.98 0.78 -0.24 1.53 0.00 -1.72 -1.10 119.26 119.49 2vcw h ALA 66 Ca -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2vcw h ALA 66 Cb 1.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2vcw h ALA 66 CO 0.13 0.46 0.01 0.82 0.00 0.00 0.00 179.25 180.68 2vcw h ILE 67 N 0.85 1.25 -0.57 0.00 2.04 -1.03 -1.42 117.51 118.63 2vcw h ILE 67 Ca 0.19 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 65.25 2vcw h ILE 67 Cb 0.31 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2vcw h ILE 67 CO -0.00 0.27 0.25 0.00 0.00 0.00 0.00 178.15 178.67 2vcw h ALA 68 N 0.82 0.73 -0.40 1.87 0.00 -0.81 -0.56 119.26 120.91 2vcw h ALA 68 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2vcw h ALA 68 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2vcw h ALA 68 CO 0.01 -0.13 0.12 -0.09 0.00 0.00 0.00 179.25 179.16 2vcw h ARG 69 N 0.47 0.63 -0.80 0.00 2.43 -1.10 -2.24 114.38 113.76 2vcw h ARG 69 Ca 0.27 -0.14 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2vcw h ARG 69 Cb 0.26 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 2vcw h ARG 69 CO -0.23 0.63 0.43 -0.92 -1.51 0.00 0.00 179.97 178.37 2vcw h TYR 70 N 0.51 0.76 0.00 2.20 3.20 -0.75 -1.88 116.97 121.01 2vcw h TYR 70 Ca 0.13 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 2vcw h TYR 70 Cb 0.27 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2vcw h TYR 70 CO 0.01 0.26 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.28 2vcw h LEU 71 N 0.68 0.00 -0.31 2.82 3.38 -0.72 -3.11 115.31 118.05 2vcw h LEU 71 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2vcw h LEU 71 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2vcw h LEU 71 CO -0.30 0.44 -0.38 0.35 0.09 0.00 0.00 178.44 178.65 2vcw n THR 72 N -3.68 0.00 -1.69 0.22 -2.24 -0.87 -4.90 114.28 101.11 2vcw n THR 72 Ca -0.01 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.25 2vcw n THR 72 Cb 0.52 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.11 2vcw n THR 72 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2vcw n LYS 73 N -0.97 2.23 -1.19 -0.78 4.81 -0.76 -1.10 118.16 120.40 2vcw n LYS 73 Ca 0.09 0.80 -0.06 0.00 -0.87 0.00 0.00 58.31 58.26 2vcw n LYS 73 Cb 0.35 -2.51 -0.03 0.00 0.02 0.00 0.00 35.03 32.86 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 2.49 -4.63 -4.66 3.14 3.02 -1.26 -5.00 115.26 108.36 2vcw n ASN 74 Ca 0.12 0.16 -0.24 0.00 -0.03 0.00 0.00 54.58 54.59 2vcw n ASN 74 Cb 0.32 -2.70 -0.08 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.95 2.75 -0.62 3.41 -4.23 -0.26 -5.02 115.64 109.72 2vcw s THR 75 Ca 0.00 -1.90 0.25 0.00 -1.18 0.00 0.00 61.69 58.86 2vcw s THR 75 Cb 0.00 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.27 2vcw s THR 75 CO 0.00 -0.20 1.75 0.47 -0.54 0.00 0.00 174.62 176.10 2vcw n ASP 76 N -1.00 0.76 0.28 3.99 8.00 -1.26 -2.63 116.55 124.69 2vcw n ASP 76 Ca -0.04 0.62 0.17 0.00 0.71 0.00 0.00 54.79 56.25 2vcw n ASP 76 Cb 0.62 -0.80 0.78 0.00 -0.02 0.00 0.00 41.12 41.69 2vcw n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2vcw h LEU 77 N 0.00 0.00 -0.65 0.64 5.85 -1.82 -2.93 115.31 116.40 2vcw h LEU 77 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2vcw h LEU 77 Cb 0.58 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2vcw h LEU 77 CO 0.00 0.03 -0.40 0.00 -0.34 0.00 0.00 178.44 177.73 2vcw h ALA 78 N 1.97 0.88 0.00 1.25 0.00 -1.63 -1.19 119.26 120.55 2vcw h ALA 78 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2vcw h ALA 78 Cb 0.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2vcw h ALA 78 CO 0.00 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2vcw n GLY 79 N 0.56 3.59 0.18 0.00 0.00 -1.11 -4.23 105.19 104.17 2vcw n GLY 79 Ca 0.01 -1.59 0.06 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.00 -4.23 1.61 -0.26 -1.90 -3.43 115.58 107.37 2vcw h ASN 80 Ca 0.00 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 55.35 2vcw h ASN 80 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 38.32 37.12 2vcw h ASN 80 CO 0.00 0.35 -0.60 0.42 -1.06 0.00 0.00 177.43 176.54 2vcw s THR 81 N -3.24 0.64 0.33 2.81 -4.23 -1.26 -5.01 115.64 105.68 2vcw s THR 81 Ca 0.03 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 2vcw s THR 81 Cb 0.08 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.41 2vcw s THR 81 CO 0.70 0.00 1.83 -0.33 -0.54 0.00 0.00 174.62 176.28 2vcw h GLU 82 N 2.28 0.43 -0.27 3.99 3.07 -1.98 -0.03 114.58 122.06 2vcw h GLU 82 Ca -0.38 -0.12 -0.04 0.00 -0.50 0.00 0.00 59.36 58.33 2vcw h GLU 82 Cb 1.25 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.10 2vcw h GLU 82 CO 0.61 0.56 0.02 1.98 -1.40 0.00 0.00 179.01 180.77 2vcw h MET 83 N 0.40 0.46 -0.74 2.33 4.05 -1.98 -1.23 114.93 118.22 2vcw h MET 83 Ca 0.08 -0.14 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 2vcw h MET 83 Cb 0.46 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2vcw h MET 83 CO 0.03 0.61 0.30 0.93 0.23 0.00 0.00 176.91 179.01 2vcw h GLU 84 N 0.25 1.09 -0.67 0.39 5.08 -1.86 -1.33 114.58 117.54 2vcw h GLU 84 Ca 0.08 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2vcw h GLU 84 Cb 0.39 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2vcw h GLU 84 CO 0.01 0.88 0.45 1.96 -1.00 0.00 0.00 179.01 181.31 2vcw h GLN 85 N 1.07 0.79 -0.22 2.33 4.20 -0.88 0.21 115.11 122.62 2vcw h GLN 85 Ca 0.25 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2vcw h GLN 85 Cb 0.19 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2vcw h GLN 85 CO -0.02 0.52 0.06 0.00 -0.67 0.00 0.00 178.83 178.72 2vcw h HIS 87 N 0.17 1.00 0.25 0.00 3.86 -0.79 -0.32 115.15 119.32 2vcw h HIS 87 Ca 0.07 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2vcw h HIS 87 Cb 0.25 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2vcw h HIS 87 CO 0.01 0.65 -0.19 0.28 0.86 0.00 0.00 177.93 179.53 2vcw h VAL 88 N 1.07 0.59 -0.94 2.45 2.07 -0.83 -0.73 116.25 119.93 2vcw h VAL 88 Ca 0.29 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.87 2vcw h VAL 88 Cb -0.10 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2vcw h VAL 88 CO -0.06 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.58 2vcw h ASP 89 N -0.44 0.95 -0.27 0.57 3.32 -0.92 -1.01 116.42 118.61 2vcw h ASP 89 Ca -0.01 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2vcw h ASP 89 Cb 0.39 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2vcw h ASP 89 CO -0.01 0.60 -0.11 0.00 -1.72 0.00 0.00 179.24 178.00 2vcw h ALA 90 N 1.49 0.38 -0.44 3.45 0.00 -0.74 -0.52 119.26 122.88 2vcw h ALA 90 Ca 0.41 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2vcw h ALA 90 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2vcw h ALA 90 CO -0.16 0.24 0.18 0.82 0.00 0.00 0.00 179.25 180.33 2vcw h ILE 91 N 0.30 1.20 -0.39 0.00 1.08 -0.87 -0.83 117.51 118.00 2vcw h ILE 91 Ca 0.06 -0.62 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 2vcw h ILE 91 Cb 0.61 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2vcw h ILE 91 CO 0.04 0.23 0.19 0.58 -0.69 0.00 0.00 178.15 178.49 2vcw h VAL 92 N 0.57 0.96 -0.89 1.67 2.07 -1.06 -1.52 116.25 118.04 2vcw h VAL 92 Ca 0.15 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2vcw h VAL 92 Cb 0.19 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2vcw h VAL 92 CO -0.01 0.07 0.52 0.44 0.02 0.00 0.00 177.57 178.61 2vcw h ASP 93 N 0.38 1.09 -0.56 0.57 3.32 -0.85 -0.57 116.42 119.80 2vcw h ASP 93 Ca 0.17 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2vcw h ASP 93 Cb 0.09 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2vcw h ASP 93 CO -0.13 0.85 0.26 0.74 -1.72 0.00 0.00 179.24 179.24 2vcw h THR 94 N 1.24 1.21 -0.37 0.35 2.02 -0.71 0.13 112.91 116.78 2vcw h THR 94 Ca 0.32 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 2vcw h THR 94 Cb -0.02 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2vcw h THR 94 CO -0.06 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 176.05 2vcw h LEU 95 N 0.75 0.60 -0.53 2.58 3.38 -1.06 -2.54 115.31 118.50 2vcw h LEU 95 Ca 0.19 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2vcw h LEU 95 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2vcw h LEU 95 CO -0.02 0.72 0.17 -0.78 0.09 0.00 0.00 178.44 178.62 2vcw h ASP 96 N 0.46 0.77 -0.38 -0.43 3.58 -0.79 -1.06 116.42 118.57 2vcw h ASP 96 Ca 0.11 -0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.42 2vcw h ASP 96 Cb 0.38 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 2vcw h ASP 96 CO 0.01 0.77 0.07 0.44 -2.88 0.00 0.00 179.24 177.65 2vcw h ASP 97 N 0.73 0.01 -0.40 2.28 3.32 -0.71 -0.82 116.42 120.84 2vcw h ASP 97 Ca 0.17 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2vcw h ASP 97 Cb 0.27 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2vcw h ASP 97 CO -0.01 0.04 0.02 0.15 -1.72 0.00 0.00 179.24 177.72 2vcw h PHE 98 N 0.20 0.74 -0.18 4.55 3.57 -1.12 -2.93 116.94 121.77 2vcw h PHE 98 Ca 0.18 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2vcw h PHE 98 Cb 0.21 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2vcw h PHE 98 CO -0.20 0.75 0.03 0.52 -2.23 0.00 0.00 178.31 177.19 2vcw h MET 99 N 0.52 0.26 0.00 1.11 2.86 -0.90 -1.75 114.93 117.03 2vcw h MET 99 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2vcw h MET 99 Cb 0.44 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2vcw h MET 99 CO 0.02 0.26 0.00 0.66 1.06 0.00 0.00 176.91 178.90 2vcw h SER 100 N 0.26 0.00 1.01 1.22 4.64 -0.96 -2.78 113.55 116.93 2vcw h SER 100 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2vcw h SER 100 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2vcw h SER 100 CO -0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.79 2vcw s PHE 102 N -3.62 3.52 -1.38 0.00 0.08 -1.05 -4.93 117.98 110.59 2vcw s PHE 102 Ca 0.01 1.45 -0.15 0.00 0.12 0.00 0.00 56.93 58.36 2vcw s PHE 102 Cb 0.10 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.24 2vcw s PHE 102 CO 0.62 -0.85 2.19 -0.35 -0.10 0.00 0.00 175.22 176.73 2vcw n PRO 103 N 3.60 2.71 -0.01 0.24 -0.04 -1.26 -4.76 135.00 135.48 2vcw n PRO 103 Ca 0.07 -2.52 0.12 0.00 -0.04 0.00 0.00 63.50 61.12 2vcw n PRO 103 Cb 0.47 -3.25 0.54 0.00 -0.04 0.00 0.00 33.50 31.23 2vcw n PRO 103 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2vcw h TRP 104 N 6.22 0.30 -0.41 0.54 4.06 -1.93 -2.11 115.95 122.62 2vcw h TRP 104 Ca 0.55 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.51 2vcw h TRP 104 Cb 0.64 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 2vcw h TRP 104 CO 1.44 0.15 0.00 0.00 -3.56 0.00 0.00 178.44 176.47 2vcw n ALA 105 N -2.54 2.42 -1.69 1.49 0.00 -1.26 -4.99 120.51 113.95 2vcw n ALA 105 Ca 0.07 -1.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.06 2vcw n ALA 105 Cb 0.33 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 2vcw n ALA 105 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2vcw n GLU 106 N 1.49 2.48 0.10 0.00 4.07 -0.79 -4.90 120.64 123.09 2vcw n GLU 106 Ca 0.20 0.90 0.06 0.00 -0.06 0.00 0.00 57.16 58.26 2vcw n GLU 106 Cb 0.61 -2.73 -0.00 0.00 -0.06 0.00 0.00 31.44 29.25 2vcw n GLU 106 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2vcw h LYS 107 N 7.21 0.00 -5.93 5.31 1.57 -1.94 -3.43 116.57 119.36 2vcw h LYS 107 Ca -0.45 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.72 2vcw h LYS 107 Cb 1.23 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.43 2vcw h LYS 107 CO 0.93 0.17 0.54 0.15 -0.57 0.00 0.00 179.45 180.67 2vcw s LYS 108 N -3.14 3.40 0.39 3.15 -0.14 -1.26 -4.92 119.74 117.21 2vcw s LYS 108 Ca 0.00 -0.13 0.09 0.00 -1.36 0.00 0.00 55.97 54.58 2vcw s LYS 108 Cb 0.08 -4.00 0.87 0.00 -1.68 0.00 0.00 37.83 33.10 2vcw s LYS 108 CO 0.78 -1.36 1.95 1.96 -0.76 0.00 0.00 175.35 177.92 2vcw h GLN 109 N 9.20 0.59 -0.20 1.68 4.20 -1.99 -0.79 115.11 127.79 2vcw h GLN 109 Ca -0.25 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.28 2vcw h GLN 109 Cb 1.08 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2vcw h GLN 109 CO 1.05 0.39 -0.42 0.38 -0.67 0.00 0.00 178.83 179.56 2vcw h ASP 110 N 0.61 0.72 -0.42 1.46 2.03 -1.98 -1.14 116.42 117.69 2vcw h ASP 110 Ca 0.32 -0.55 -0.01 0.00 -0.73 0.00 0.00 57.03 56.06 2vcw h ASP 110 Cb 0.44 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 2vcw h ASP 110 CO -0.11 1.14 0.24 0.58 -1.03 0.00 0.00 179.24 180.07 2vcw h VAL 111 N 0.33 1.15 -0.40 4.15 2.07 -1.88 0.26 116.25 121.93 2vcw h VAL 111 Ca 0.00 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.19 2vcw h VAL 111 Cb 1.02 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2vcw h VAL 111 CO 0.09 0.15 0.23 0.50 0.02 0.00 0.00 177.57 178.56 2vcw h LYS 112 N 0.55 0.45 -0.14 1.57 3.64 -1.13 -0.32 116.57 121.21 2vcw h LYS 112 Ca 0.15 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2vcw h LYS 112 Cb 0.03 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2vcw h LYS 112 CO -0.03 0.30 0.08 1.49 -2.27 0.00 0.00 179.45 179.03 2vcw h GLU 113 N 0.47 0.19 -0.51 1.90 4.81 -0.89 -1.31 114.58 119.24 2vcw h GLU 113 Ca 0.16 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2vcw h GLU 113 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2vcw h GLU 113 CO -0.08 0.17 0.31 0.37 -0.73 0.00 0.00 179.01 179.05 2vcw h GLN 114 N 0.15 0.61 -0.33 1.92 -0.00 -0.60 -1.51 115.11 115.35 2vcw h GLN 114 Ca 0.05 -0.04 -0.06 0.00 -0.00 0.00 0.00 58.65 58.61 2vcw h GLN 114 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 2vcw h GLN 114 CO -0.01 0.40 -0.01 0.52 0.00 0.00 0.00 178.83 179.73 2vcw h MET 115 N 0.62 0.59 -0.59 1.69 2.86 -0.97 -1.72 114.93 117.42 2vcw h MET 115 Ca 0.20 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2vcw h MET 115 Cb -0.00 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2vcw h MET 115 CO -0.08 0.73 0.31 0.74 1.06 0.00 0.00 176.91 179.66 2vcw h PHE 116 N 0.39 0.56 -0.61 -0.22 -1.00 -1.10 -1.26 116.94 113.71 2vcw h PHE 116 Ca 0.09 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 2vcw h PHE 116 Cb 0.46 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 2vcw h PHE 116 CO 0.04 0.26 0.06 -0.91 -1.61 0.00 0.00 178.31 176.15 2vcw h ASN 117 N 0.58 0.99 -0.07 2.17 -0.26 -1.15 -0.35 115.58 117.48 2vcw h ASN 117 Ca 0.26 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2vcw h ASN 117 Cb 0.17 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 2vcw h ASN 117 CO -0.18 1.01 0.01 -0.08 -1.06 0.00 0.00 177.43 177.13 2vcw h GLU 118 N 0.95 0.12 -0.66 0.81 4.81 -1.01 -0.04 114.58 119.57 2vcw h GLU 118 Ca 0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2vcw h GLU 118 Cb 0.47 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2vcw h GLU 118 CO 0.02 0.34 0.22 -0.07 -0.73 0.00 0.00 179.01 178.79 2vcw h LEU 119 N -0.12 0.92 -0.10 1.64 3.38 -1.13 -0.92 115.31 118.98 2vcw h LEU 119 Ca 0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2vcw h LEU 119 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2vcw h LEU 119 CO 0.00 0.85 -0.17 -0.07 0.09 0.00 0.00 178.44 179.14 2vcw h LEU 120 N 0.96 0.00 0.12 1.67 3.38 -0.96 0.93 115.31 121.41 2vcw h LEU 120 Ca 0.22 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.85 2vcw h LEU 120 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2vcw h LEU 120 CO -0.01 0.17 -1.76 0.74 0.09 0.00 0.00 178.44 177.67 2vcw h THR 121 N 0.00 0.88 0.00 0.22 2.02 -0.74 -3.40 112.91 111.89 2vcw h THR 121 Ca -0.00 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.61 2vcw h THR 121 Cb 1.10 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 2vcw h THR 121 CO 0.02 0.81 -0.51 -1.22 0.37 0.00 0.00 175.52 174.99 2vcw n TYR 122 N -3.44 0.00 -0.08 3.16 4.02 -0.37 -4.66 117.16 115.78 2vcw n TYR 122 Ca -0.24 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.54 2vcw n TYR 122 Cb 1.05 -0.26 -0.05 0.00 -0.02 0.00 0.00 39.34 40.07 2vcw n TYR 122 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2vcw h ASN 123 N -0.51 0.45 0.06 7.72 4.21 -1.57 -3.07 115.58 122.88 2vcw h ASN 123 Ca 0.00 -0.35 0.01 0.00 1.21 0.00 0.00 56.30 57.17 2vcw h ASN 123 Cb 0.51 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2vcw h ASN 123 CO 0.00 0.70 -0.07 0.00 -1.29 0.00 0.00 177.43 176.76 2vcw h ALA 124 N 0.77 -0.13 -0.25 -0.83 0.00 -1.06 -1.16 119.26 116.61 2vcw h ALA 124 Ca 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2vcw h ALA 124 Cb 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2vcw h ALA 124 CO 0.02 -0.59 0.17 -1.35 0.00 0.00 0.00 179.25 177.50 2vcw h PRO 125 N -0.16 0.28 -0.07 0.00 0.11 -1.77 0.29 132.00 130.68 2vcw h PRO 125 Ca 0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2vcw h PRO 125 Cb 0.16 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 2vcw h PRO 125 CO -0.04 0.18 0.01 0.45 -0.21 0.00 0.00 178.00 178.40 2vcw h HIS 126 N 0.29 0.13 -0.95 0.65 3.86 -1.29 -2.15 115.15 115.69 2vcw h HIS 126 Ca 0.10 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2vcw h HIS 126 Cb 0.04 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 2vcw h HIS 126 CO -0.00 0.33 0.60 1.25 0.86 0.00 0.00 177.93 180.97 2vcw h LEU 127 N -0.11 1.11 -0.93 2.43 5.85 -0.67 -2.32 115.31 120.67 2vcw h LEU 127 Ca 0.02 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2vcw h LEU 127 Cb 0.27 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2vcw h LEU 127 CO 0.00 0.83 0.55 0.24 -0.34 0.00 0.00 178.44 179.73 2vcw h MET 128 N 1.29 1.27 -0.69 1.25 2.86 -0.85 0.16 114.93 120.22 2vcw h MET 128 Ca 0.34 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2vcw h MET 128 Cb -0.10 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.27 2vcw h MET 128 CO -0.07 0.90 0.13 1.96 1.06 0.00 0.00 176.91 180.89 2vcw h GLN 129 N 1.29 1.14 -0.35 1.72 4.20 -0.89 0.16 115.11 122.38 2vcw h GLN 129 Ca 0.33 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2vcw h GLN 129 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2vcw h GLN 129 CO -0.06 1.02 0.08 -0.44 -0.67 0.00 0.00 178.83 178.76 2vcw h ASP 130 N 1.07 0.52 -0.20 1.46 3.32 -0.95 -1.49 116.42 120.15 2vcw h ASP 130 Ca 0.21 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 2vcw h ASP 130 Cb 0.42 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2vcw h ASP 130 CO 0.01 0.62 0.08 -0.07 -1.72 0.00 0.00 179.24 178.16 2vcw h LEU 131 N 0.40 0.28 -0.33 1.55 4.07 -0.55 -1.42 115.31 119.31 2vcw h LEU 131 Ca 0.11 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 57.91 2vcw h LEU 131 Cb 0.30 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2vcw h LEU 131 CO 0.00 0.37 0.19 -0.78 -1.08 0.00 0.00 178.44 177.14 2vcw h ASP 132 N 0.17 0.31 0.58 -0.43 -0.00 -0.62 -1.24 116.42 115.19 2vcw h ASP 132 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 56.99 2vcw h ASP 132 Cb 0.18 -0.06 -0.02 0.00 -0.00 0.00 0.00 39.33 39.43 2vcw h ASP 132 CO -0.01 0.22 -0.54 0.71 -0.00 0.00 0.00 179.24 179.63 2vcw h THR 133 N 0.39 1.35 -0.39 2.25 1.35 -1.25 -1.03 112.91 115.58 2vcw h THR 133 Ca 0.13 -1.87 -0.05 0.00 -0.55 0.00 0.00 66.41 64.07 2vcw h THR 133 Cb 0.01 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2vcw h THR 133 CO -0.07 0.53 0.06 0.22 -0.25 0.00 0.00 175.52 176.01 2vcw h TYR 134 N 0.00 0.68 -0.38 4.73 3.20 -0.84 -3.09 116.97 121.28 2vcw h TYR 134 Ca -0.01 -0.10 -0.13 0.00 3.14 0.00 0.00 58.73 61.64 2vcw h TYR 134 Cb 0.98 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 2vcw h TYR 134 CO 0.00 0.69 -0.27 1.25 -1.64 0.00 0.00 178.16 178.18 2vcw h LEU 135 N 0.49 0.82 0.00 2.82 5.85 -1.15 -3.49 115.31 120.65 2vcw h LEU 135 Ca 0.12 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2vcw h LEU 135 Cb 0.38 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2vcw h LEU 135 CO 0.01 1.05 0.00 0.61 -0.34 0.00 0.00 178.44 179.77 2vcw n GLY 136 N -0.13 2.19 1.23 3.75 0.00 -0.40 -1.74 105.19 110.08 2vcw n GLY 136 Ca -0.00 -0.44 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 2.12 3.81 -0.02 0.00 -1.26 -4.96 105.19 104.88 2vcw n GLY 137 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.92 2.07 0.00 1.61 0.52 -0.71 -5.01 118.95 115.51 2vcw s ARG 138 Ca 0.32 0.58 -0.20 0.00 -0.52 0.00 0.00 55.73 55.91 2vcw s ARG 138 Cb 0.23 -1.92 -0.22 0.00 0.52 0.00 0.00 34.95 33.55 2vcw s ARG 138 CO 0.11 -1.62 1.12 1.49 0.02 0.00 0.00 175.30 176.42 2vcw h GLU 139 N -1.09 0.40 -5.08 3.54 4.81 -1.88 -3.47 114.58 111.81 2vcw h GLU 139 Ca -0.47 -0.40 -0.36 0.00 -0.13 0.00 0.00 59.36 57.99 2vcw h GLU 139 Cb 1.27 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.62 2vcw h GLU 139 CO 0.60 1.06 -0.67 -1.58 -0.73 0.00 0.00 179.01 177.69 2vcw s TRP 140 N -3.30 1.48 0.19 0.92 0.52 -1.26 -4.90 118.94 112.60 2vcw s TRP 140 Ca -0.13 -0.88 -0.12 0.00 0.02 0.00 0.00 56.10 54.99 2vcw s TRP 140 Cb 0.04 -0.83 0.15 0.00 -1.15 0.00 0.00 33.47 31.67 2vcw s TRP 140 CO 0.81 -0.01 1.83 -0.07 0.02 0.00 0.00 176.95 179.53 2vcw h LEU 141 N 2.55 0.60 -8.02 2.99 3.38 -1.91 -3.42 115.31 111.49 2vcw h LEU 141 Ca -0.38 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.06 2vcw h LEU 141 Cb 1.21 -0.12 -0.34 0.00 0.09 0.00 0.00 40.66 41.51 2vcw h LEU 141 CO 0.64 0.42 -0.82 -0.63 0.09 0.00 0.00 178.44 178.14 2vcw s ILE 142 N -6.13 1.26 0.00 1.22 1.09 -1.26 -4.83 121.20 112.56 2vcw s ILE 142 Ca -0.13 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.87 2vcw s ILE 142 Cb 0.14 -1.15 0.00 0.00 -1.06 0.00 0.00 42.46 40.40 2vcw s ILE 142 CO 0.75 0.38 0.00 0.61 -0.10 0.00 0.00 174.94 176.59 2vcw n GLY 143 N 3.82 0.49 0.69 6.18 0.00 -1.26 -4.19 105.19 110.92 2vcw n GLY 143 Ca -0.22 -0.85 0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.12 3.04 -4.15 1.61 2.04 -1.26 -4.47 115.26 109.96 2vcw n ASN 144 Ca 0.00 -2.06 -0.09 0.00 -0.44 0.00 0.00 54.58 51.99 2vcw n ASN 144 Cb 0.00 -0.26 -0.10 0.00 -2.53 0.00 0.00 39.78 36.89 2vcw n ASN 144 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2vcw s SER 145 N -1.05 0.79 0.49 0.53 1.04 -1.26 -4.93 113.70 109.32 2vcw s SER 145 Ca 0.26 -1.05 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 2vcw s SER 145 Cb 0.14 0.17 -0.07 0.00 0.10 0.00 0.00 66.02 66.35 2vcw s SER 145 CO 0.16 -0.56 1.33 0.55 0.98 0.00 0.00 173.24 175.69 2vcw n VAL 146 N -0.02 3.22 -4.32 5.02 3.14 -1.26 -4.75 118.33 119.36 2vcw n VAL 146 Ca -0.11 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.60 2vcw n VAL 146 Cb 0.62 -1.65 -0.10 0.00 -1.06 0.00 0.00 33.84 31.65 2vcw n VAL 146 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2vcw s THR 147 N -1.25 0.71 -1.23 1.55 -4.23 -1.26 -4.39 115.64 105.54 2vcw s THR 147 Ca 0.66 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.27 2vcw s THR 147 Cb -0.45 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.00 2vcw s THR 147 CO 0.53 -0.13 1.25 -2.67 -0.54 0.00 0.00 174.62 173.07 2vcw n TRP 148 N -0.44 0.00 -0.07 3.99 4.27 -0.45 -1.68 117.44 123.06 2vcw n TRP 148 Ca -0.02 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.46 2vcw n TRP 148 Cb 0.65 -0.39 -0.01 0.00 -1.36 0.00 0.00 31.31 30.21 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 2.40 0.55 -0.58 -1.67 0.00 -1.86 -0.58 119.26 117.52 2vcw h ALA 149 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2vcw h ALA 149 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2vcw h ALA 149 CO 0.00 0.68 0.08 -0.44 0.00 0.00 0.00 179.25 179.57 2vcw h ASP 150 N 0.63 0.89 -0.04 0.00 3.32 -1.73 -0.23 116.42 119.26 2vcw h ASP 150 Ca 0.02 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 2vcw h ASP 150 Cb 1.10 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2vcw h ASP 150 CO 0.11 0.90 0.02 -0.26 -1.72 0.00 0.00 179.24 178.30 2vcw h PHE 151 N 0.88 0.06 -0.65 4.55 -1.00 -1.46 -1.32 116.94 118.00 2vcw h PHE 151 Ca 0.18 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 2vcw h PHE 151 Cb 0.41 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 2vcw h PHE 151 CO 0.03 0.13 0.23 -0.92 -1.61 0.00 0.00 178.31 176.17 2vcw h TYR 152 N -0.03 0.99 -0.21 -0.55 3.20 -0.89 -0.09 116.97 119.39 2vcw h TYR 152 Ca 0.02 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.84 2vcw h TYR 152 Cb 0.09 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2vcw h TYR 152 CO -0.04 0.77 0.05 2.35 -1.64 0.00 0.00 178.16 179.65 2vcw h TRP 153 N 0.95 0.09 -0.43 -3.82 2.91 -0.81 0.54 115.95 115.36 2vcw h TRP 153 Ca 0.22 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.24 2vcw h TRP 153 Cb 0.23 -0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 2vcw h TRP 153 CO 0.02 0.03 0.24 1.49 -1.03 0.00 0.00 178.44 179.19 2vcw h GLU 154 N 0.14 0.60 -0.02 2.65 4.22 -0.51 0.07 114.58 121.73 2vcw h GLU 154 Ca 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2vcw h GLU 154 Cb 0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2vcw h GLU 154 CO -0.12 0.47 0.01 0.82 -2.18 0.00 0.00 179.01 178.02 2vcw h ILE 155 N 0.57 1.01 -0.09 2.32 2.04 -0.85 -0.59 117.51 121.91 2vcw h ILE 155 Ca 0.15 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2vcw h ILE 155 Cb 0.04 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2vcw h ILE 155 CO -0.03 0.01 0.03 0.00 0.00 0.00 0.00 178.15 178.16 2vcw h SER 157 N -0.05 0.67 -0.77 0.00 4.64 -0.94 -1.74 113.55 115.35 2vcw h SER 157 Ca 0.03 -0.03 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 2vcw h SER 157 Cb 0.23 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.09 2vcw h SER 157 CO -0.00 0.51 0.46 0.74 -0.87 0.00 0.00 176.83 177.67 2vcw h THR 158 N 0.79 1.01 -0.20 2.95 2.02 -0.97 0.39 112.91 118.90 2vcw h THR 158 Ca 0.21 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 2vcw h THR 158 Cb -0.06 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2vcw h THR 158 CO -0.04 0.15 -0.36 0.74 0.37 0.00 0.00 175.52 176.39 2vcw h THR 159 N 0.85 1.33 -0.71 3.16 2.02 -1.27 -3.07 112.91 115.22 2vcw h THR 159 Ca 0.34 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.93 2vcw h THR 159 Cb 0.18 1.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2vcw h THR 159 CO -0.18 0.49 0.41 -0.07 0.37 0.00 0.00 175.52 176.54 2vcw h LEU 160 N 0.26 0.86 -1.60 2.58 3.38 -1.06 -2.53 115.31 117.19 2vcw h LEU 160 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2vcw h LEU 160 Cb 0.95 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2vcw h LEU 160 CO 0.08 0.67 -0.22 -0.07 0.09 0.00 0.00 178.44 179.00 2vcw h LEU 161 N 0.98 0.00 -1.20 1.67 3.38 -0.89 -1.20 115.31 118.05 2vcw h LEU 161 Ca 0.25 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.29 2vcw h LEU 161 Cb -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2vcw h LEU 161 CO -0.05 0.22 0.56 0.58 0.09 0.00 0.00 178.44 179.85 2vcw h VAL 162 N 0.00 1.05 0.00 1.22 2.07 -1.35 -2.43 116.25 116.81 2vcw h VAL 162 Ca -0.00 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.02 2vcw h VAL 162 Cb 0.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2vcw h VAL 162 CO 0.03 0.18 -1.75 0.49 0.02 0.00 0.00 177.57 176.54 2vcw n PHE 163 N -4.49 0.54 -3.32 1.57 3.01 -0.87 -4.67 117.46 109.23 2vcw n PHE 163 Ca 0.13 0.18 -0.24 0.00 1.01 0.00 0.00 57.45 58.52 2vcw n PHE 163 Cb 0.21 -0.93 -0.09 0.00 -0.01 0.00 0.00 39.48 38.66 2vcw n PHE 163 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2vcw n LYS 164 N -2.71 0.22 0.09 -1.08 4.81 -0.51 -5.01 118.16 113.97 2vcw n LYS 164 Ca -0.13 -3.05 0.20 0.00 -0.87 0.00 0.00 58.31 54.46 2vcw n LYS 164 Cb 0.84 -1.64 0.74 0.00 0.02 0.00 0.00 35.03 34.99 2vcw n LYS 164 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2vcw h PRO 165 N 5.55 0.00 -0.55 1.64 0.11 -1.69 -1.03 132.00 136.03 2vcw h PRO 165 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2vcw h PRO 165 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2vcw h PRO 165 CO 0.33 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.72 2vcw n ASP 166 N -3.73 3.01 -0.28 -2.05 5.75 -1.26 -4.49 116.55 113.50 2vcw n ASP 166 Ca 0.07 -1.99 0.09 0.00 -0.01 0.00 0.00 54.79 52.95 2vcw n ASP 166 Cb 0.62 -0.37 0.32 0.00 -1.03 0.00 0.00 41.12 40.67 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 3.31 0.76 -3.02 -2.12 6.46 -1.56 -1.09 115.31 118.04 2vcw h LEU 167 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2vcw h LEU 167 Cb 0.76 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2vcw h LEU 167 CO 0.00 0.42 0.00 0.18 -0.62 0.00 0.00 178.44 178.42 2vcw n LEU 168 N -4.55 4.32 0.30 2.25 4.77 -1.26 -4.55 117.00 118.27 2vcw n LEU 168 Ca 0.16 -2.32 0.16 0.00 -0.03 0.00 0.00 56.01 53.99 2vcw n LEU 168 Cb 0.37 -0.52 0.94 0.00 -2.33 0.00 0.00 43.42 41.89 2vcw n LEU 168 CO 0.30 0.84 1.13 0.44 -1.33 0.00 0.00 177.39 178.78 2vcw h ASP 169 N 3.79 0.00 -0.43 -1.43 5.19 -1.49 -0.69 116.42 121.36 2vcw h ASP 169 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2vcw h ASP 169 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 2vcw h ASP 169 CO 0.15 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 175.81 2vcw n ASN 170 N -3.78 3.59 -3.27 6.45 6.94 -1.26 -4.70 115.26 119.23 2vcw n ASN 170 Ca -0.03 -2.30 -0.25 0.00 -0.02 0.00 0.00 54.58 51.98 2vcw n ASN 170 Cb 0.09 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 37.05 2vcw n ASN 170 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2vcw n HIS 171 N 0.53 2.05 0.12 -2.53 8.25 -0.26 -4.94 115.22 118.44 2vcw n HIS 171 Ca 0.18 -3.91 0.11 0.00 -0.26 0.00 0.00 57.72 53.84 2vcw n HIS 171 Cb 0.63 -0.47 0.61 0.00 1.12 0.00 0.00 29.99 31.88 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 3.89 0.11 -0.26 -0.41 0.13 -1.84 -1.21 132.00 132.41 2vcw h PRO 172 Ca 0.14 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2vcw h PRO 172 Cb 0.74 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 2vcw h PRO 172 CO 0.68 0.07 -0.08 0.00 -0.23 0.00 0.00 178.00 178.44 2vcw h ARG 173 N 0.12 0.42 0.02 0.86 3.08 -1.93 -0.47 114.38 116.48 2vcw h ARG 173 Ca 0.11 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 2vcw h ARG 173 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2vcw h ARG 173 CO -0.01 0.52 -0.93 -0.07 -1.07 0.00 0.00 179.97 178.40 2vcw h LEU 174 N 0.40 0.18 -0.42 3.04 3.38 -1.62 -2.38 115.31 117.89 2vcw h LEU 174 Ca 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2vcw h LEU 174 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2vcw h LEU 174 CO 0.02 1.01 0.06 0.58 0.09 0.00 0.00 178.44 180.21 2vcw h VAL 175 N 0.06 1.24 -0.77 1.22 2.07 -1.06 -2.21 116.25 116.80 2vcw h VAL 175 Ca -0.04 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2vcw h VAL 175 Cb 1.60 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 2vcw h VAL 175 CO 0.14 0.31 0.41 0.74 0.02 0.00 0.00 177.57 179.19 2vcw h THR 176 N 0.55 1.23 -0.44 2.57 2.02 -1.05 -0.33 112.91 117.46 2vcw h THR 176 Ca 0.13 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 2vcw h THR 176 Cb 0.38 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2vcw h THR 176 CO 0.01 0.26 0.18 0.25 0.37 0.00 0.00 175.52 176.59 2vcw h LEU 177 N 1.09 0.61 -0.25 2.58 5.85 -1.29 -0.25 115.31 123.63 2vcw h LEU 177 Ca 0.27 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2vcw h LEU 177 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2vcw h LEU 177 CO -0.04 0.61 0.06 0.03 -0.34 0.00 0.00 178.44 178.76 2vcw h ARG 178 N 0.57 0.16 -0.96 1.25 3.08 -0.72 -1.86 114.38 115.88 2vcw h ARG 178 Ca 0.15 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2vcw h ARG 178 Cb 0.19 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2vcw h ARG 178 CO -0.01 0.10 0.60 0.87 -1.07 0.00 0.00 179.97 180.46 2vcw h LYS 179 N 0.16 1.30 -0.45 0.04 1.57 -0.85 -0.79 116.57 117.55 2vcw h LYS 179 Ca 0.11 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2vcw h LYS 179 Cb 0.11 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2vcw h LYS 179 CO -0.14 0.89 0.23 0.87 -0.57 0.00 0.00 179.45 180.73 2vcw h LYS 180 N 1.32 0.65 -0.15 3.15 1.57 -0.64 -0.80 116.57 121.67 2vcw h LYS 180 Ca 0.35 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2vcw h LYS 180 Cb -0.09 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2vcw h LYS 180 CO -0.07 0.54 0.05 0.28 -0.57 0.00 0.00 179.45 179.68 2vcw h VAL 181 N 0.59 1.18 0.00 0.50 2.07 -1.07 -2.95 116.25 116.57 2vcw h VAL 181 Ca 0.16 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2vcw h VAL 181 Cb 0.10 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2vcw h VAL 181 CO -0.02 0.17 -0.06 1.56 0.02 0.00 0.00 177.57 179.23 2vcw h GLN 182 N 0.06 0.00 0.00 1.57 4.20 -0.97 -2.34 115.11 117.63 2vcw h GLN 182 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2vcw h GLN 182 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2vcw h GLN 182 CO -0.00 0.06 -0.02 0.00 -0.67 0.00 0.00 178.83 178.21 2vcw n ALA 183 N -2.46 2.30 -1.72 3.87 0.00 -0.32 -2.77 120.51 119.41 2vcw n ALA 183 Ca -0.03 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2vcw n ALA 183 Cb 0.15 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 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 -3.10 2.57 0.24 0.00 1.01 -0.88 -4.76 121.20 116.28 2vcw s ILE 184 Ca 0.11 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 2vcw s ILE 184 Cb 0.13 -3.04 0.23 0.00 0.01 0.00 0.00 42.46 39.79 2vcw s ILE 184 CO 0.60 -0.00 1.67 -0.65 0.00 0.00 0.00 174.94 176.56 2vcw h PRO 185 N 8.73 0.19 -0.41 2.79 0.11 -1.89 0.33 132.00 141.85 2vcw h PRO 185 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2vcw h PRO 185 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2vcw h PRO 185 CO 0.95 0.13 0.09 0.00 -0.21 0.00 0.00 178.00 178.96 2vcw h ALA 186 N 1.61 1.40 -0.01 -0.75 0.00 -1.89 -1.00 119.26 118.62 2vcw h ALA 186 Ca 0.39 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2vcw h ALA 186 Cb 0.66 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2vcw h ALA 186 CO -0.54 0.43 -0.39 0.28 0.00 0.00 0.00 179.25 179.03 2vcw h VAL 187 N 0.59 1.48 -0.68 0.00 2.07 -1.38 -2.64 116.25 115.70 2vcw h VAL 187 Ca 0.14 -1.95 0.09 0.00 0.82 0.00 0.00 66.70 65.79 2vcw h VAL 187 Cb 0.24 2.63 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 2vcw h VAL 187 CO -0.00 0.55 0.33 0.00 0.02 0.00 0.00 177.57 178.47 2vcw h ALA 188 N 0.31 0.93 -0.14 1.67 0.00 -0.19 -0.16 119.26 121.68 2vcw h ALA 188 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2vcw h ALA 188 Cb 1.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2vcw h ALA 188 CO 0.08 -0.06 0.09 -0.97 0.00 0.00 0.00 179.25 178.40 2vcw h ASN 189 N 0.58 0.16 -0.25 0.00 -0.73 -1.24 -2.53 115.58 111.57 2vcw h ASN 189 Ca 0.33 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.49 2vcw h ASN 189 Cb 0.33 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2vcw h ASN 189 CO -0.26 0.12 0.15 -0.25 -0.37 0.00 0.00 177.43 176.83 2vcw h TRP 190 N 0.19 0.32 -0.20 0.67 2.91 -0.99 -2.39 115.95 116.47 2vcw h TRP 190 Ca 0.05 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 2vcw h TRP 190 Cb -0.02 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.51 2vcw h TRP 190 CO -0.07 0.24 0.10 0.82 -1.03 0.00 0.00 178.44 178.50 2vcw h ILE 191 N 0.31 1.07 -0.17 2.65 2.04 -0.97 0.68 117.51 123.13 2vcw h ILE 191 Ca 0.09 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 2vcw h ILE 191 Cb 0.01 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2vcw h ILE 191 CO -0.02 0.08 -0.33 0.50 0.00 0.00 0.00 178.15 178.38 2vcw h LYS 192 N 0.28 0.52 0.00 2.37 3.64 -1.24 -3.34 116.57 118.80 2vcw h LYS 192 Ca 0.07 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2vcw h LYS 192 Cb 0.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2vcw h LYS 192 CO -0.01 0.94 -0.74 2.89 -2.27 0.00 0.00 179.45 180.27 2vcw n ARG 193 N -4.34 0.27 -2.03 1.90 1.85 -0.90 -4.95 116.66 108.46 2vcw n ARG 193 Ca -0.06 0.05 -0.36 0.00 -1.00 0.00 0.00 57.85 56.48 2vcw n ARG 193 Cb 0.49 -1.64 0.03 0.00 -1.05 0.00 0.00 32.46 30.29 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 -3.16 3.15 0.28 2.89 1.70 0.18 -4.95 118.95 119.04 2vcw s ARG 194 Ca 0.06 1.87 -0.30 0.00 -0.47 0.00 0.00 55.73 56.89 2vcw s ARG 194 Cb 0.14 -2.07 -0.12 0.00 -0.57 0.00 0.00 34.95 32.33 2vcw s ARG 194 CO 0.74 -1.07 1.46 -2.30 -1.08 0.00 0.00 175.30 173.05 2vcw n PRO 195 N -1.30 2.32 -2.81 3.89 -0.02 -1.26 -4.94 135.00 130.87 2vcw n PRO 195 Ca 0.12 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 62.00 2vcw n PRO 195 Cb 0.49 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 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 -0.71 4.21 0.07 -0.52 -0.44 -1.26 -4.94 119.66 116.07 2vcw s GLN 196 Ca 0.64 1.08 0.01 0.00 -2.50 0.00 0.00 55.36 54.60 2vcw s GLN 196 Cb -0.58 -3.64 -0.04 0.00 -1.64 0.00 0.00 33.01 27.11 2vcw s GLN 196 CO 0.51 -0.55 -0.06 0.95 0.50 0.00 0.00 175.29 176.64 2vcw s THR 197 N 2.96 0.52 0.05 -0.34 -4.23 -1.26 -5.07 115.64 108.27 2vcw s THR 197 Ca 0.38 -1.74 -0.21 0.00 -1.18 0.00 0.00 61.69 58.94 2vcw s THR 197 Cb -0.15 -1.43 -0.13 0.00 1.34 0.00 0.00 72.50 72.13 2vcw s THR 197 CO 0.07 -0.83 1.44 0.50 -0.54 0.00 0.00 174.62 175.26 2vcw h LYS 198 N 3.30 0.29 -0.01 3.99 3.64 -1.95 -3.48 116.57 122.34 2vcw h LYS 198 Ca -0.35 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2vcw h LYS 198 Cb 1.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2vcw h LYS 198 CO 0.61 0.57 0.00 1.28 -2.27 0.00 0.00 179.45 179.64