#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 6.08 -0.03 2.55 3.04 -1.26 -4.86 114.94 120.46 2vcw s ASN 3 Ca 0.00 -0.36 0.03 0.00 0.04 0.00 0.00 52.86 52.58 2vcw s ASN 3 Cb 0.00 -2.15 -0.03 0.00 -1.54 0.00 0.00 41.25 37.53 2vcw s ASN 3 CO 0.00 -0.24 -0.11 -0.31 -3.04 0.00 0.00 177.10 173.40 2vcw s TYR 4 N 1.78 2.78 -0.15 0.43 2.02 -1.26 -3.49 117.35 119.47 2vcw s TYR 4 Ca 0.07 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2vcw s TYR 4 Cb -0.17 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 2vcw s TYR 4 CO 0.11 0.27 -0.00 0.21 -1.57 0.00 0.00 175.55 174.57 2vcw s LYS 5 N -1.00 0.88 -0.27 -0.62 2.20 -0.42 -0.58 119.74 119.93 2vcw s LYS 5 Ca 0.13 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.34 2vcw s LYS 5 Cb -0.11 -1.73 -0.05 0.00 -1.51 0.00 0.00 37.83 34.43 2vcw s LYS 5 CO 0.03 -0.47 0.24 -1.17 -0.36 0.00 0.00 175.35 173.61 2vcw s LEU 6 N 1.83 4.05 -0.16 5.43 2.96 0.73 -0.42 118.68 133.08 2vcw s LEU 6 Ca 0.01 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 2vcw s LEU 6 Cb -0.15 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2vcw s LEU 6 CO -0.07 -0.06 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.94 2vcw s THR 7 N 1.69 3.50 0.12 3.68 2.01 -0.50 -0.30 115.64 125.84 2vcw s THR 7 Ca 0.10 -0.49 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 2vcw s THR 7 Cb -0.15 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.85 2vcw s THR 7 CO 0.09 0.48 0.41 0.00 -0.69 0.00 0.00 174.62 174.92 2vcw n TYR 8 N 3.86 -1.24 -2.06 4.92 9.36 -0.88 -1.97 117.16 129.15 2vcw n TYR 8 Ca -0.18 -0.68 -0.28 0.00 3.32 0.00 0.00 57.90 60.07 2vcw n TYR 8 Cb 0.52 0.34 0.16 0.00 -0.63 0.00 0.00 39.34 39.73 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 -5.06 1.71 -1.33 2.98 0.08 -1.26 -1.11 117.98 113.99 2vcw s PHE 9 Ca 0.09 0.23 -0.12 0.00 0.12 0.00 0.00 56.93 57.26 2vcw s PHE 9 Cb -0.02 -3.85 0.13 0.00 -0.57 0.00 0.00 43.02 38.71 2vcw s PHE 9 CO 0.04 -2.39 1.94 -1.71 -0.10 0.00 0.00 175.22 172.99 2vcw n ASN 10 N -3.54 4.74 -3.61 1.36 5.15 -1.21 -4.57 115.26 113.57 2vcw n ASN 10 Ca 0.15 -3.01 -0.12 0.00 -0.60 0.00 0.00 54.58 51.00 2vcw n ASN 10 Cb 0.60 -1.55 -0.05 0.00 -0.53 0.00 0.00 39.78 38.25 2vcw n ASN 10 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2vcw s MET 11 N 1.50 1.05 -0.00 1.20 -1.94 -1.26 -4.92 119.30 114.92 2vcw s MET 11 Ca 0.43 -0.54 -0.08 0.00 -1.71 0.00 0.00 55.69 53.78 2vcw s MET 11 Cb 0.10 0.47 -0.05 0.00 2.01 0.00 0.00 34.83 37.36 2vcw s MET 11 CO -0.02 -0.40 0.72 0.00 -0.01 0.00 0.00 175.02 175.31 2vcw h ARG 12 N 2.54 -0.28 0.00 2.03 3.08 -1.49 -3.45 114.38 116.81 2vcw h ARG 12 Ca -0.33 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2vcw h ARG 12 Cb 1.24 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2vcw h ARG 12 CO 0.45 -0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 2vcw n GLY 13 N 0.02 2.68 0.26 0.04 0.00 -1.26 -1.55 105.19 105.38 2vcw n GLY 13 Ca -0.04 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 0.98 0.02 1.61 1.74 -1.26 -3.65 116.66 130.09 2vcw n ARG 14 Ca 0.00 -0.52 0.11 0.00 -0.77 0.00 0.00 57.85 56.67 2vcw n ARG 14 Cb 0.00 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 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 -0.56 3.56 -0.35 7.54 0.00 -0.94 -4.47 120.51 125.29 2vcw n ALA 15 Ca 0.14 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 53.14 2vcw n ALA 15 Cb 0.33 -0.90 0.17 0.00 0.00 0.00 0.00 19.45 19.05 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 1.16 -0.83 0.00 4.57 -1.35 -1.48 114.58 116.65 2vcw h GLU 16 Ca 0.00 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 2vcw h GLU 16 Cb 0.73 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 2vcw h GLU 16 CO 0.00 0.77 0.49 0.97 -1.18 0.00 0.00 179.01 180.06 2vcw h ILE 17 N 1.20 0.97 -0.61 2.32 6.09 -1.83 0.43 117.51 126.09 2vcw h ILE 17 Ca 0.40 -0.30 -0.08 0.00 -1.37 0.00 0.00 64.86 63.51 2vcw h ILE 17 Cb 0.06 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 37.37 2vcw h ILE 17 CO -0.14 0.16 0.07 0.40 -3.07 0.00 0.00 178.15 175.57 2vcw h ILE 18 N 0.86 1.26 -0.55 2.19 2.04 -1.58 -1.95 117.51 119.78 2vcw h ILE 18 Ca 0.38 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2vcw h ILE 18 Cb 0.27 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2vcw h ILE 18 CO -0.21 0.38 0.12 0.03 0.00 0.00 0.00 178.15 178.48 2vcw h ARG 19 N 0.92 0.89 -0.56 2.37 3.08 -0.53 -1.54 114.38 119.01 2vcw h ARG 19 Ca 0.18 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2vcw h ARG 19 Cb 0.47 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 2vcw h ARG 19 CO 0.02 0.84 0.35 1.88 -1.07 0.00 0.00 179.97 181.99 2vcw h TYR 20 N 0.79 0.65 -0.21 3.04 -1.99 -0.85 -0.97 116.97 117.43 2vcw h TYR 20 Ca 0.17 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.91 2vcw h TYR 20 Cb 0.36 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2vcw h TYR 20 CO 0.03 0.37 0.11 0.82 -0.00 0.00 0.00 178.16 179.49 2vcw h ILE 21 N 0.69 1.12 -0.77 -2.88 2.04 -1.13 0.50 117.51 117.08 2vcw h ILE 21 Ca 0.22 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 2vcw h ILE 21 Cb 0.01 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 2vcw h ILE 21 CO -0.09 0.12 0.47 -0.26 0.00 0.00 0.00 178.15 178.38 2vcw h PHE 22 N 0.23 1.00 -0.08 1.37 0.04 -1.16 -0.63 116.94 117.70 2vcw h PHE 22 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2vcw h PHE 22 Cb 0.09 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.91 2vcw h PHE 22 CO -0.03 0.66 -0.00 0.00 -0.60 0.00 0.00 178.31 178.33 2vcw h ALA 23 N 1.46 0.11 -0.75 2.45 0.00 -0.84 -0.42 119.26 121.27 2vcw h ALA 23 Ca 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2vcw h ALA 23 Cb -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2vcw h ALA 23 CO -0.05 -0.20 0.41 -0.92 0.00 0.00 0.00 179.25 178.49 2vcw h TYR 24 N -0.14 1.03 -0.04 0.00 3.20 -0.69 -2.61 116.97 117.73 2vcw h TYR 24 Ca 0.02 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2vcw h TYR 24 Cb 0.36 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2vcw h TYR 24 CO 0.04 0.73 0.00 1.28 -1.64 0.00 0.00 178.16 178.56 2vcw n LEU 25 N -4.45 0.95 -3.59 2.82 4.77 -0.26 -4.94 117.00 112.29 2vcw n LEU 25 Ca 0.07 -0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 2vcw n LEU 25 Cb 0.09 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 2vcw n LEU 25 CO 0.38 0.17 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.91 2vcw n ASP 26 N -0.23 -2.48 -4.53 -1.43 2.03 -0.52 -4.98 116.55 104.41 2vcw n ASP 26 Ca 0.19 -0.79 -0.34 0.00 0.52 0.00 0.00 54.79 54.37 2vcw n ASP 26 Cb 0.25 -4.32 -0.12 0.00 -0.72 0.00 0.00 41.12 36.21 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 -3.56 3.53 0.12 5.18 1.01 -0.28 -5.05 121.20 122.15 2vcw s ILE 27 Ca 0.11 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2vcw s ILE 27 Cb -0.03 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.92 2vcw s ILE 27 CO 0.79 0.58 1.25 -1.10 0.00 0.00 0.00 174.94 176.47 2vcw s GLN 28 N -0.56 4.42 -0.02 2.79 -0.21 -1.26 -4.76 119.66 120.06 2vcw s GLN 28 Ca 0.08 1.90 -0.29 0.00 0.02 0.00 0.00 55.36 57.07 2vcw s GLN 28 Cb -0.12 -3.28 0.07 0.00 1.00 0.00 0.00 33.01 30.68 2vcw s GLN 28 CO 0.02 -0.25 0.65 1.52 -2.12 0.00 0.00 175.29 175.11 2vcw s TYR 29 N 0.64 -0.62 -0.30 0.91 1.13 -1.26 -4.12 117.35 113.73 2vcw s TYR 29 Ca 0.58 0.97 -0.21 0.00 -1.41 0.00 0.00 57.07 56.99 2vcw s TYR 29 Cb -0.33 0.42 -0.01 0.00 -1.10 0.00 0.00 41.96 40.95 2vcw s TYR 29 CO 0.33 -0.64 0.69 -2.00 -2.51 0.00 0.00 175.55 171.41 2vcw s GLU 30 N -1.61 3.95 -1.24 -3.49 2.12 0.25 -4.95 118.70 113.73 2vcw s GLU 30 Ca -0.09 0.43 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 2vcw s GLU 30 Cb -0.00 -3.72 0.15 0.00 0.26 0.00 0.00 34.13 30.82 2vcw s GLU 30 CO 0.06 -0.59 1.56 -3.47 -0.54 0.00 0.00 175.26 172.28 2vcw n ASP 31 N 5.97 5.14 -4.62 -1.70 2.03 -1.26 -0.19 116.55 121.91 2vcw n ASP 31 Ca 0.01 -2.98 -0.43 0.00 0.52 0.00 0.00 54.79 51.91 2vcw n ASP 31 Cb 0.49 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.27 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 1.82 3.13 -0.11 -0.67 5.65 0.59 -5.00 115.29 120.70 2vcw s HIS 32 Ca 0.44 0.98 -0.01 0.00 0.25 0.00 0.00 55.06 56.73 2vcw s HIS 32 Cb 0.00 -3.62 -0.03 0.00 -1.18 0.00 0.00 32.58 27.75 2vcw s HIS 32 CO 0.01 -0.77 -0.07 1.03 -0.65 0.00 0.00 174.74 174.29 2vcw s ARG 33 N 3.50 3.16 0.33 2.88 0.52 -1.26 -2.08 118.95 126.01 2vcw s ARG 33 Ca 0.41 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 55.14 2vcw s ARG 33 Cb -0.12 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.60 2vcw s ARG 33 CO 0.16 0.44 -0.02 0.96 0.02 0.00 0.00 175.30 176.86 2vcw s ILE 34 N -0.20 2.58 0.21 1.52 -4.36 -0.27 -4.87 121.20 115.80 2vcw s ILE 34 Ca 0.02 -2.04 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 2vcw s ILE 34 Cb -0.13 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.81 2vcw s ILE 34 CO 0.03 -0.22 0.28 -1.83 0.24 0.00 0.00 174.94 173.44 2vcw s GLU 35 N -3.68 3.27 0.00 0.37 -1.05 -1.26 -3.31 118.70 113.04 2vcw s GLU 35 Ca 0.34 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2vcw s GLU 35 Cb -0.00 -2.81 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2vcw s GLU 35 CO 0.18 0.46 0.07 1.04 0.95 0.00 0.00 175.26 177.96 2vcw n GLN 36 N -1.00 0.13 0.00 -4.83 1.13 -1.26 -2.32 117.38 109.24 2vcw n GLN 36 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2vcw n GLN 36 Cb 0.56 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.81 2vcw n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2vcw n ALA 37 N 0.47 1.62 1.09 -1.58 0.00 -1.26 -4.75 120.51 116.11 2vcw n ALA 37 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2vcw n ALA 37 Cb 0.04 0.16 0.47 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.44 0.31 0.17 0.00 10.43 -0.98 -4.29 116.55 120.76 2vcw n ASP 38 Ca 0.00 -0.04 -0.14 0.00 2.57 0.00 0.00 54.79 57.17 2vcw n ASP 38 Cb 0.27 -0.10 -0.08 0.00 1.84 0.00 0.00 41.12 43.05 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 0.14 -0.35 -0.90 1.24 -0.00 -1.85 -3.17 115.95 111.06 2vcw h TRP 39 Ca 0.00 -0.01 0.25 0.00 -0.00 0.00 0.00 58.89 59.13 2vcw h TRP 39 Cb 0.47 0.12 -0.15 0.00 -0.00 0.00 0.00 29.16 29.60 2vcw h TRP 39 CO 0.00 -0.19 0.27 -1.35 -0.00 0.00 0.00 178.44 177.17 2vcw h PRO 40 N -0.42 0.20 -0.33 2.65 0.11 -1.92 0.55 132.00 132.85 2vcw h PRO 40 Ca -0.04 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 2vcw h PRO 40 Cb 0.32 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2vcw h PRO 40 CO 0.06 0.13 -0.27 0.93 -0.21 0.00 0.00 178.00 178.65 2vcw h GLU 41 N 0.21 0.66 -0.01 1.05 5.08 -1.85 -2.93 114.58 116.79 2vcw h GLU 41 Ca 0.58 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 2vcw h GLU 41 Cb 1.20 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.43 2vcw h GLU 41 CO -0.67 0.86 -0.27 0.82 -1.00 0.00 0.00 179.01 178.76 2vcw h ILE 42 N 0.57 1.52 -0.68 3.13 2.04 -1.01 -3.35 117.51 119.74 2vcw h ILE 42 Ca 0.07 -1.91 0.13 0.00 1.00 0.00 0.00 64.86 64.16 2vcw h ILE 42 Cb 0.76 2.69 -0.13 0.00 -0.74 0.00 0.00 36.82 39.40 2vcw h ILE 42 CO 0.06 0.53 -0.19 0.50 0.00 0.00 0.00 178.15 179.05 2vcw h LYS 43 N -0.44 -0.02 0.00 2.37 3.64 0.02 0.28 116.57 122.42 2vcw h LYS 43 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2vcw h LYS 43 Cb 1.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2vcw h LYS 43 CO 0.05 -0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.88 2vcw h SER 44 N -0.02 0.00 0.23 4.20 4.64 -1.64 -1.88 113.55 119.08 2vcw h SER 44 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2vcw h SER 44 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2vcw h SER 44 CO -0.70 0.00 -0.61 0.35 -0.87 0.00 0.00 176.83 174.99 2vcw n THR 45 N -2.89 0.00 -3.40 2.95 -2.24 0.07 -4.92 114.28 103.84 2vcw n THR 45 Ca -0.02 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.33 2vcw n THR 45 Cb 0.13 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.84 4.23 -0.11 3.22 1.43 -0.71 -5.03 118.68 118.86 2vcw s LEU 46 Ca 0.13 0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 2vcw s LEU 46 Cb 0.17 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2vcw s LEU 46 CO 0.71 0.01 1.69 -2.84 0.23 0.00 0.00 176.35 176.14 2vcw s PRO 47 N 0.78 4.00 0.00 1.29 0.02 -1.26 -1.36 135.00 138.46 2vcw s PRO 47 Ca 0.21 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.27 2vcw s PRO 47 Cb -0.14 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2vcw s PRO 47 CO 0.08 -1.07 0.00 1.19 -0.33 0.00 0.00 177.00 176.87 2vcw n PHE 48 N 7.84 0.00 -4.10 6.54 3.01 -1.26 -4.59 117.46 124.90 2vcw n PHE 48 Ca 0.19 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.32 2vcw n PHE 48 Cb 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.89 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 -2.00 -0.41 3.15 1.37 0.00 -0.47 -4.99 105.19 101.85 2vcw n GLY 49 Ca 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.77 0.81 0.20 1.61 -0.14 -1.26 -4.98 119.74 109.20 2vcw s LYS 50 Ca 0.55 -0.88 0.10 0.00 -1.36 0.00 0.00 55.97 54.38 2vcw s LYS 50 Cb -0.30 -0.80 -0.04 0.00 -1.68 0.00 0.00 37.83 35.01 2vcw s LYS 50 CO 0.90 0.18 -0.19 0.96 -0.76 0.00 0.00 175.35 176.44 2vcw s ILE 51 N -1.17 2.05 0.63 2.17 -4.36 -1.26 -4.55 121.20 114.70 2vcw s ILE 51 Ca -0.02 -2.08 -0.16 0.00 -0.26 0.00 0.00 60.65 58.13 2vcw s ILE 51 Cb -0.09 -2.02 -0.01 0.00 1.25 0.00 0.00 42.46 41.58 2vcw s ILE 51 CO 0.02 -0.33 1.11 -2.16 0.24 0.00 0.00 174.94 173.82 2vcw s PRO 52 N -3.02 2.94 0.11 0.37 0.04 -1.26 -5.00 135.00 129.19 2vcw s PRO 52 Ca 0.20 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.75 2vcw s PRO 52 Cb -0.05 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2vcw s PRO 52 CO 0.09 -1.14 -0.17 0.96 0.04 0.00 0.00 177.00 176.78 2vcw s ILE 53 N -2.21 1.47 -0.19 0.56 -4.36 -0.83 -3.88 121.20 111.75 2vcw s ILE 53 Ca 0.68 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 2vcw s ILE 53 Cb -0.21 -1.50 0.04 0.00 1.25 0.00 0.00 42.46 42.05 2vcw s ILE 53 CO 0.38 -0.27 -0.08 -0.22 0.24 0.00 0.00 174.94 174.99 2vcw s LEU 54 N -2.20 2.09 -0.19 0.37 2.96 0.09 -1.41 118.68 120.38 2vcw s LEU 54 Ca 0.07 -0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 52.92 2vcw s LEU 54 Cb -0.07 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 2vcw s LEU 54 CO 0.04 -0.17 0.61 -1.61 -1.32 0.00 0.00 176.35 173.90 2vcw s GLU 55 N 1.48 4.21 -0.13 1.98 2.02 0.44 -0.32 118.70 128.39 2vcw s GLU 55 Ca -0.01 0.59 -0.01 0.00 0.02 0.00 0.00 54.97 55.56 2vcw s GLU 55 Cb -0.16 -3.57 0.03 0.00 0.10 0.00 0.00 34.13 30.53 2vcw s GLU 55 CO -0.08 -0.21 -0.04 0.08 0.02 0.00 0.00 175.26 175.03 2vcw s VAL 56 N 1.83 0.82 -1.54 2.63 1.01 0.19 -1.30 120.40 124.03 2vcw s VAL 56 Ca 0.28 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2vcw s VAL 56 Cb -0.16 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.28 2vcw s VAL 56 CO 0.10 0.21 0.27 0.47 0.00 0.00 0.00 175.10 176.15 2vcw n ASP 57 N 4.99 -0.10 0.00 3.32 8.00 -1.23 -0.05 116.55 131.49 2vcw n ASP 57 Ca -0.10 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2vcw n ASP 57 Cb 0.49 -2.20 0.00 0.00 -0.02 0.00 0.00 41.12 39.39 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 -2.14 2.86 3.78 0.44 0.00 -1.26 -5.01 105.19 103.86 2vcw n GLY 58 Ca -0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 4.50 -0.35 0.99 1.43 0.93 -5.04 118.68 121.13 2vcw s LEU 59 Ca 0.00 1.69 -0.08 0.00 -1.03 0.00 0.00 54.13 54.71 2vcw s LEU 59 Cb 0.00 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.70 2vcw s LEU 59 CO 0.00 0.11 0.14 -0.89 0.23 0.00 0.00 176.35 175.94 2vcw s THR 60 N -1.33 4.02 0.22 5.49 2.01 -1.26 -0.64 115.64 124.15 2vcw s THR 60 Ca 0.41 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 2vcw s THR 60 Cb -0.21 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 2vcw s THR 60 CO 0.26 -0.22 0.48 -0.76 -0.69 0.00 0.00 174.62 173.69 2vcw s LEU 61 N 1.44 4.17 0.26 4.42 1.43 0.57 -4.93 118.68 126.04 2vcw s LEU 61 Ca -0.00 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 2vcw s LEU 61 Cb -0.20 -3.48 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2vcw s LEU 61 CO 0.04 -0.07 0.26 -1.38 0.23 0.00 0.00 176.35 175.43 2vcw s HIS 62 N -1.85 1.17 -0.03 0.29 -3.43 -1.26 -0.73 115.29 109.45 2vcw s HIS 62 Ca 0.44 -1.34 -0.03 0.00 -0.80 0.00 0.00 55.06 53.33 2vcw s HIS 62 Cb -0.11 -0.42 0.01 0.00 -1.43 0.00 0.00 32.58 30.62 2vcw s HIS 62 CO 0.25 -0.81 0.05 1.04 -2.00 0.00 0.00 174.74 173.27 2vcw n GLN 63 N -0.41 -1.87 -0.25 -0.38 1.13 -1.25 -4.37 117.38 109.98 2vcw n GLN 63 Ca 0.03 1.69 0.04 0.00 -1.94 0.00 0.00 57.00 56.82 2vcw n GLN 63 Cb 0.64 -2.35 0.18 0.00 0.11 0.00 0.00 30.24 28.81 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 1.59 0.31 0.53 1.08 4.64 -1.85 -1.22 113.55 118.63 2vcw h SER 64 Ca -0.12 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 2vcw h SER 64 Cb 0.27 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2vcw h SER 64 CO 0.00 0.13 -0.75 -0.07 -0.87 0.00 0.00 176.83 175.28 2vcw h LEU 65 N 0.47 0.21 -0.27 5.97 3.38 -1.91 -0.08 115.31 123.08 2vcw h LEU 65 Ca 0.40 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2vcw h LEU 65 Cb 0.58 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2vcw h LEU 65 CO -0.38 0.88 0.06 0.00 0.09 0.00 0.00 178.44 179.10 2vcw h ALA 66 N 1.11 0.36 -0.19 1.53 0.00 -1.72 -0.74 119.26 119.62 2vcw h ALA 66 Ca -0.02 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2vcw h ALA 66 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2vcw h ALA 66 CO 0.11 0.03 0.11 0.82 0.00 0.00 0.00 179.25 180.32 2vcw h ILE 67 N 0.27 1.07 -0.80 0.00 2.04 -1.07 -1.73 117.51 117.30 2vcw h ILE 67 Ca 0.09 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2vcw h ILE 67 Cb 0.30 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2vcw h ILE 67 CO 0.00 0.07 0.50 0.00 0.00 0.00 0.00 178.15 178.72 2vcw h ALA 68 N 1.03 1.07 -0.56 1.87 0.00 -0.92 -0.59 119.26 121.17 2vcw h ALA 68 Ca 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2vcw h ALA 68 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2vcw h ALA 68 CO -0.01 0.26 0.11 -0.09 0.00 0.00 0.00 179.25 179.52 2vcw h ARG 69 N 0.93 0.91 -0.37 0.00 2.43 -0.93 -2.49 114.38 114.87 2vcw h ARG 69 Ca 0.33 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2vcw h ARG 69 Cb 0.09 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2vcw h ARG 69 CO -0.14 0.87 0.21 -0.92 -1.51 0.00 0.00 179.97 178.48 2vcw h TYR 70 N 0.81 0.49 0.00 2.20 3.20 -0.63 -2.46 116.97 120.58 2vcw h TYR 70 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 2vcw h TYR 70 Cb 0.39 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2vcw h TYR 70 CO 0.03 0.37 0.00 -0.07 -1.64 0.00 0.00 178.16 176.85 2vcw h LEU 71 N 0.47 0.00 0.00 2.82 3.38 -1.04 -3.09 115.31 117.85 2vcw h LEU 71 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2vcw h LEU 71 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2vcw h LEU 71 CO -0.02 0.00 -1.14 0.35 0.09 0.00 0.00 178.44 177.71 2vcw n THR 72 N -3.03 0.01 -1.73 0.22 -2.24 -0.95 -4.87 114.28 101.69 2vcw n THR 72 Ca 0.01 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 2vcw n THR 72 Cb 0.29 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 2vcw n THR 72 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2vcw n LYS 73 N -1.66 2.66 -2.47 -0.78 5.02 -0.95 -1.96 118.16 118.01 2vcw n LYS 73 Ca 0.03 0.95 -0.17 0.00 -2.02 0.00 0.00 58.31 57.09 2vcw n LYS 73 Cb 0.38 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 2vcw n LYS 73 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2vcw n ASN 74 N 2.56 -5.06 -4.45 4.39 3.02 -1.26 -5.01 115.26 109.46 2vcw n ASN 74 Ca 0.10 -0.08 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 2vcw n ASN 74 Cb 0.36 -4.08 -0.11 0.00 -0.61 0.00 0.00 39.78 35.34 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 -2.90 1.30 -0.81 3.41 -4.23 -0.83 -5.03 115.64 106.55 2vcw s THR 75 Ca 0.07 -2.02 0.18 0.00 -1.18 0.00 0.00 61.69 58.74 2vcw s THR 75 Cb -0.03 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 71.24 2vcw s THR 75 CO 0.08 -0.06 1.57 -0.90 -0.54 0.00 0.00 174.62 174.77 2vcw n ASP 76 N -0.68 0.25 0.21 3.99 3.85 -1.26 -2.93 116.55 119.98 2vcw n ASP 76 Ca -0.03 0.56 0.13 0.00 -0.71 0.00 0.00 54.79 54.74 2vcw n ASP 76 Cb 0.66 -0.62 0.27 0.00 -1.35 0.00 0.00 41.12 40.09 2vcw n ASP 76 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2vcw h LEU 77 N 0.00 0.00-10.43 -2.12 3.38 -1.80 -3.44 115.31 100.89 2vcw h LEU 77 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2vcw h LEU 77 Cb 0.30 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.12 2vcw h LEU 77 CO 0.00 0.00 0.34 0.00 0.09 0.00 0.00 178.44 178.87 2vcw s ALA 78 N -3.25 3.06 0.60 1.53 0.00 -1.15 -1.90 121.76 120.65 2vcw s ALA 78 Ca 0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 2vcw s ALA 78 Cb 0.07 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2vcw s ALA 78 CO 0.64 -0.93 1.25 0.41 0.00 0.00 0.00 175.76 177.13 2vcw n GLY 79 N -2.82 0.45 0.23 0.00 0.00 -1.26 -4.90 105.19 96.89 2vcw n GLY 79 Ca 0.06 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.82 0.00 -4.57 1.61 -0.26 -1.92 -3.42 115.58 107.83 2vcw h ASN 80 Ca -0.50 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 54.91 2vcw h ASN 80 Cb 1.33 0.00 -0.15 0.00 -1.06 0.00 0.00 38.32 38.45 2vcw h ASN 80 CO 0.54 0.18 -0.63 0.42 -1.06 0.00 0.00 177.43 176.88 2vcw s THR 81 N -3.72 0.56 0.31 2.81 -4.23 -1.26 -5.02 115.64 105.08 2vcw s THR 81 Ca 0.00 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2vcw s THR 81 Cb 0.10 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.77 2vcw s THR 81 CO 0.62 -0.15 1.89 -0.33 -0.54 0.00 0.00 174.62 176.11 2vcw h GLU 82 N 2.50 0.94 -0.29 3.99 5.08 -2.00 -1.18 114.58 123.62 2vcw h GLU 82 Ca -0.38 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 2vcw h GLU 82 Cb 1.23 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2vcw h GLU 82 CO 0.61 0.62 -0.42 1.98 -1.00 0.00 0.00 179.01 180.81 2vcw h MET 83 N 0.97 0.79 -0.74 2.33 4.05 -1.97 -2.75 114.93 117.62 2vcw h MET 83 Ca 0.42 -0.47 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2vcw h MET 83 Cb 0.33 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 2vcw h MET 83 CO -0.18 1.10 0.39 0.93 0.23 0.00 0.00 176.91 179.38 2vcw h GLU 84 N 0.55 1.03 -0.64 0.39 5.08 -1.78 -1.77 114.58 117.45 2vcw h GLU 84 Ca 0.03 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2vcw h GLU 84 Cb 1.01 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 2vcw h GLU 84 CO 0.10 0.77 0.43 1.96 -1.00 0.00 0.00 179.01 181.26 2vcw h GLN 85 N 1.04 0.83 -0.39 2.33 4.20 -1.15 0.12 115.11 122.09 2vcw h GLN 85 Ca 0.26 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 2vcw h GLN 85 Cb 0.05 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2vcw h GLN 85 CO -0.04 0.55 0.07 0.00 -0.67 0.00 0.00 178.83 178.74 2vcw h HIS 87 N 0.49 0.84 -0.13 0.00 3.86 -0.60 -0.45 115.15 119.17 2vcw h HIS 87 Ca 0.12 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2vcw h HIS 87 Cb 0.35 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2vcw h HIS 87 CO 0.02 0.66 -0.02 0.28 0.86 0.00 0.00 177.93 179.74 2vcw h VAL 88 N 0.78 0.89 -0.67 2.45 2.07 -0.68 -1.08 116.25 120.00 2vcw h VAL 88 Ca 0.19 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.74 2vcw h VAL 88 Cb 0.15 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 2vcw h VAL 88 CO -0.02 0.00 0.41 0.44 0.02 0.00 0.00 177.57 178.43 2vcw h ASP 89 N 0.02 0.67 -0.66 0.57 3.32 -0.86 -1.40 116.42 118.07 2vcw h ASP 89 Ca 0.06 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2vcw h ASP 89 Cb 0.09 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2vcw h ASP 89 CO -0.12 0.46 0.26 0.00 -1.72 0.00 0.00 179.24 178.12 2vcw h ALA 90 N 1.30 0.86 -0.36 3.45 0.00 -0.72 0.16 119.26 123.96 2vcw h ALA 90 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2vcw h ALA 90 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2vcw h ALA 90 CO -0.12 0.49 -0.15 0.82 0.00 0.00 0.00 179.25 180.28 2vcw h ILE 91 N 0.94 1.28 -0.23 0.00 1.08 -1.00 -1.13 117.51 118.46 2vcw h ILE 91 Ca 0.22 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.42 2vcw h ILE 91 Cb 0.21 1.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2vcw h ILE 91 CO -0.02 0.42 0.14 0.58 -0.69 0.00 0.00 178.15 178.58 2vcw h VAL 92 N 0.53 1.08 -0.48 1.67 2.07 -0.96 -1.39 116.25 118.77 2vcw h VAL 92 Ca 0.08 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2vcw h VAL 92 Cb 0.69 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2vcw h VAL 92 CO 0.05 0.07 0.17 0.44 0.02 0.00 0.00 177.57 178.32 2vcw h ASP 93 N 0.29 0.63 -0.30 0.57 3.32 -0.63 0.23 116.42 120.53 2vcw h ASP 93 Ca 0.08 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 2vcw h ASP 93 Cb -0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2vcw h ASP 93 CO -0.02 0.59 0.05 0.74 -1.72 0.00 0.00 179.24 178.88 2vcw h THR 94 N 0.69 1.23 -0.05 0.35 2.02 -0.85 0.21 112.91 116.51 2vcw h THR 94 Ca 0.16 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2vcw h THR 94 Cb 0.17 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2vcw h THR 94 CO -0.01 0.27 0.02 -0.07 0.37 0.00 0.00 175.52 176.09 2vcw h LEU 95 N 0.32 0.06 -1.16 2.58 4.07 -0.87 -3.05 115.31 117.26 2vcw h LEU 95 Ca 0.09 -0.15 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 2vcw h LEU 95 Cb 0.35 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 2vcw h LEU 95 CO 0.01 0.20 0.08 -0.78 -1.08 0.00 0.00 178.44 176.86 2vcw h ASP 96 N -0.08 0.62 -0.21 -0.43 3.58 -0.44 -2.11 116.42 117.35 2vcw h ASP 96 Ca 0.02 -0.11 0.04 0.00 0.42 0.00 0.00 57.03 57.40 2vcw h ASP 96 Cb 0.15 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 2vcw h ASP 96 CO -0.00 0.64 -0.06 0.44 -2.88 0.00 0.00 179.24 177.37 2vcw h ASP 97 N 0.64 -0.22 -0.56 2.28 3.32 -0.56 -0.84 116.42 120.48 2vcw h ASP 97 Ca 0.14 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2vcw h ASP 97 Cb 0.29 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2vcw h ASP 97 CO 0.00 -0.08 0.13 0.15 -1.72 0.00 0.00 179.24 177.72 2vcw h PHE 98 N -0.02 0.94 -0.22 4.55 3.57 -1.34 -2.72 116.94 121.71 2vcw h PHE 98 Ca 0.10 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 2vcw h PHE 98 Cb 0.17 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 2vcw h PHE 98 CO -0.23 0.82 -0.21 0.52 -2.23 0.00 0.00 178.31 176.98 2vcw h MET 99 N 0.80 0.39 0.00 1.11 2.86 -1.25 -2.64 114.93 116.20 2vcw h MET 99 Ca 0.17 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2vcw h MET 99 Cb 0.35 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2vcw h MET 99 CO 0.00 0.59 0.00 0.77 1.06 0.00 0.00 176.91 179.33 2vcw h SER 100 N 0.36 0.00 0.86 1.22 0.02 -0.91 -3.01 113.55 112.09 2vcw h SER 100 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2vcw h SER 100 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2vcw h SER 100 CO 0.04 0.00 -0.11 0.00 -1.14 0.00 0.00 176.83 175.62 2vcw s PHE 102 N -3.74 3.19 -1.51 0.00 0.08 -1.14 -4.93 117.98 109.93 2vcw s PHE 102 Ca 0.00 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 2vcw s PHE 102 Cb 0.10 -3.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.01 2vcw s PHE 102 CO 0.58 -1.59 2.69 -0.35 -0.10 0.00 0.00 175.22 176.45 2vcw n PRO 103 N 4.79 3.31 -0.35 0.24 -0.04 -1.26 -4.74 135.00 136.95 2vcw n PRO 103 Ca 0.11 -2.24 0.26 0.00 -0.04 0.00 0.00 63.50 61.58 2vcw n PRO 103 Cb 0.46 -2.91 0.54 0.00 -0.04 0.00 0.00 33.50 31.54 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 5.44 0.64 0.00 0.54 4.06 -1.93 -3.51 115.95 121.19 2vcw h TRP 104 Ca 0.76 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.73 2vcw h TRP 104 Cb 0.38 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2vcw h TRP 104 CO 1.76 -0.01 0.00 0.00 -3.56 0.00 0.00 178.44 176.64 2vcw n ALA 105 N -2.47 2.48 0.00 1.49 0.00 -1.26 -5.27 120.51 115.47 2vcw n ALA 105 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2vcw n ALA 105 Cb 1.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2vcw n ALA 105 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2vcw n MET 115 N -1.28 0.00 -0.18 0.00 0.00 -1.26 -5.31 117.12 109.08 2vcw n MET 115 Ca 0.14 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.78 2vcw n MET 115 Cb 0.24 -0.22 0.03 0.00 0.00 0.00 0.00 33.22 33.27 2vcw n MET 115 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 2vcw h PHE 116 N 0.00 0.66 -0.16 1.12 -1.00 -1.98 -0.98 116.94 114.60 2vcw h PHE 116 Ca 0.00 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.65 2vcw h PHE 116 Cb 0.00 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 2vcw h PHE 116 CO 0.00 0.41 -0.52 -0.97 -1.61 0.00 0.00 178.31 175.62 2vcw h ASN 117 N 0.71 0.49 -0.10 2.17 -0.73 -2.01 -1.06 115.58 115.06 2vcw h ASN 117 Ca 0.20 -0.25 -0.01 0.00 1.87 0.00 0.00 56.30 58.11 2vcw h ASN 117 Cb -0.06 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.38 2vcw h ASN 117 CO -0.05 0.92 0.01 -0.08 -0.37 0.00 0.00 177.43 177.86 2vcw h GLU 118 N 0.35 0.17 -0.45 6.67 4.57 -1.94 -1.38 114.58 122.56 2vcw h GLU 118 Ca 0.01 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2vcw h GLU 118 Cb 1.03 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 2vcw h GLU 118 CO 0.09 0.39 0.15 -0.07 -1.18 0.00 0.00 179.01 178.39 2vcw h LEU 119 N -0.08 0.66 -0.79 1.64 3.38 -1.13 -1.45 115.31 117.54 2vcw h LEU 119 Ca 0.03 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 2vcw h LEU 119 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2vcw h LEU 119 CO 0.00 0.68 -0.56 -0.07 0.09 0.00 0.00 178.44 178.59 2vcw h LEU 120 N 0.60 0.16 0.09 1.67 3.38 -1.21 0.18 115.31 120.17 2vcw h LEU 120 Ca 0.15 -0.08 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 2vcw h LEU 120 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2vcw h LEU 120 CO -0.01 0.68 -1.53 0.74 0.09 0.00 0.00 178.44 178.42 2vcw h THR 121 N 0.11 0.90 0.00 0.22 2.02 -1.22 -3.38 112.91 111.57 2vcw h THR 121 Ca -0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.84 2vcw h THR 121 Cb 1.01 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 2vcw h THR 121 CO 0.08 0.67 -1.50 -1.22 0.37 0.00 0.00 175.52 173.92 2vcw n TYR 122 N -3.92 0.00 -0.07 3.16 4.02 -0.55 -4.63 117.16 115.17 2vcw n TYR 122 Ca -0.28 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.50 2vcw n TYR 122 Cb 0.89 -0.28 -0.06 0.00 -0.02 0.00 0.00 39.34 39.87 2vcw n TYR 122 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2vcw n ASN 123 N -1.90 2.55 -0.16 7.72 5.03 -0.85 -4.63 115.26 123.02 2vcw n ASN 123 Ca -0.02 -0.03 -0.02 0.00 0.87 0.00 0.00 54.58 55.38 2vcw n ASN 123 Cb 0.36 -0.27 0.07 0.00 -1.02 0.00 0.00 39.78 38.93 2vcw n ASN 123 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2vcw h ALA 124 N -0.11 0.60 -0.73 5.41 0.00 -0.84 -2.57 119.26 121.03 2vcw h ALA 124 Ca -0.33 0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2vcw h ALA 124 Cb 1.46 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2vcw h ALA 124 CO -0.08 -0.26 0.48 -1.35 0.00 0.00 0.00 179.25 178.04 2vcw h PRO 125 N 0.30 0.80 -0.42 0.00 0.11 -1.82 -1.77 132.00 129.20 2vcw h PRO 125 Ca 0.25 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 2vcw h PRO 125 Cb 0.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 2vcw h PRO 125 CO -0.29 0.53 -0.19 0.45 -0.21 0.00 0.00 178.00 178.29 2vcw h HIS 126 N 0.82 0.92 -0.46 0.65 3.86 -1.72 -2.24 115.15 116.98 2vcw h HIS 126 Ca 0.30 -0.20 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2vcw h HIS 126 Cb 0.15 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2vcw h HIS 126 CO -0.00 0.94 -0.11 1.25 0.86 0.00 0.00 177.93 180.87 2vcw h LEU 127 N 0.72 0.90 -1.08 2.43 5.85 -1.21 -1.86 115.31 121.06 2vcw h LEU 127 Ca 0.10 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2vcw h LEU 127 Cb 0.71 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2vcw h LEU 127 CO 0.05 1.05 0.60 0.24 -0.34 0.00 0.00 178.44 180.05 2vcw h MET 128 N 0.73 1.22 -0.22 1.25 2.86 -1.19 0.78 114.93 120.36 2vcw h MET 128 Ca 0.12 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2vcw h MET 128 Cb 0.66 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2vcw h MET 128 CO 0.05 0.82 -0.06 1.96 1.06 0.00 0.00 176.91 180.73 2vcw h GLN 129 N 1.25 0.43 -0.67 1.72 1.08 -1.29 -0.41 115.11 117.21 2vcw h GLN 129 Ca 0.34 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.40 2vcw h GLN 129 Cb -0.13 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.23 2vcw h GLN 129 CO -0.07 0.67 0.42 -0.44 -0.95 0.00 0.00 178.83 178.46 2vcw h ASP 130 N 0.16 0.69 -0.28 1.46 3.32 -1.00 -0.53 116.42 120.24 2vcw h ASP 130 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2vcw h ASP 130 Cb 0.52 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2vcw h ASP 130 CO 0.02 0.47 0.11 -0.07 -1.72 0.00 0.00 179.24 178.06 2vcw h LEU 131 N 0.82 0.38 -0.86 1.55 4.07 -0.82 -0.24 115.31 120.22 2vcw h LEU 131 Ca 0.27 -0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 2vcw h LEU 131 Cb 0.02 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 2vcw h LEU 131 CO -0.11 0.44 0.27 -0.78 -1.08 0.00 0.00 178.44 177.18 2vcw h ASP 132 N 0.30 1.02 -0.33 -0.43 -0.00 -0.79 -0.63 116.42 115.57 2vcw h ASP 132 Ca 0.09 -0.17 -0.04 0.00 -0.00 0.00 0.00 57.03 56.91 2vcw h ASP 132 Cb 0.18 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.23 2vcw h ASP 132 CO -0.01 0.93 0.03 0.74 -0.00 0.00 0.00 179.24 180.93 2vcw h THR 133 N 1.08 1.24 -0.37 2.25 2.02 -1.03 -0.42 112.91 117.68 2vcw h THR 133 Ca 0.24 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.58 2vcw h THR 133 Cb 0.24 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2vcw h THR 133 CO -0.02 0.29 0.17 0.22 0.37 0.00 0.00 175.52 176.55 2vcw h TYR 134 N 0.38 0.30 -0.16 3.16 3.20 -0.58 -2.78 116.97 120.49 2vcw h TYR 134 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2vcw h TYR 134 Cb 0.39 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2vcw h TYR 134 CO 0.03 0.15 -0.02 1.25 -1.64 0.00 0.00 178.16 177.93 2vcw h LEU 135 N 0.35 0.30 0.00 2.82 5.85 -1.12 -3.48 115.31 120.02 2vcw h LEU 135 Ca 0.16 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2vcw h LEU 135 Cb 0.09 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2vcw h LEU 135 CO -0.13 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.15 2vcw n GLY 136 N -0.20 3.70 0.43 3.75 0.00 -0.17 -1.95 105.19 110.75 2vcw n GLY 136 Ca -0.05 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.12 3.68 -0.02 0.00 -1.26 -4.97 105.19 102.49 2vcw n GLY 137 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.12 1.03 -0.06 1.61 0.52 -0.82 -4.99 118.95 114.11 2vcw s ARG 138 Ca 0.34 1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 56.52 2vcw s ARG 138 Cb 0.21 -1.76 -0.30 0.00 0.52 0.00 0.00 34.95 33.62 2vcw s ARG 138 CO 0.38 -2.49 0.73 1.49 0.02 0.00 0.00 175.30 175.43 2vcw h GLU 139 N -1.75 0.31 -5.73 3.54 4.81 -1.90 -3.47 114.58 110.39 2vcw h GLU 139 Ca -0.48 -0.53 -0.51 0.00 -0.13 0.00 0.00 59.36 57.71 2vcw h GLU 139 Cb 1.28 0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.71 2vcw h GLU 139 CO 0.49 1.25 -0.72 -1.58 -0.73 0.00 0.00 179.01 177.72 2vcw s TRP 140 N -2.48 1.95 0.15 0.92 0.52 -1.26 -4.87 118.94 113.87 2vcw s TRP 140 Ca -0.16 -0.54 -0.17 0.00 0.02 0.00 0.00 56.10 55.25 2vcw s TRP 140 Cb 0.03 -0.96 0.01 0.00 -1.15 0.00 0.00 33.47 31.40 2vcw s TRP 140 CO 0.82 0.44 1.79 -0.07 0.02 0.00 0.00 176.95 179.95 2vcw h LEU 141 N 2.39 0.33 -8.08 2.99 3.38 -1.91 -3.43 115.31 110.98 2vcw h LEU 141 Ca -0.39 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.00 2vcw h LEU 141 Cb 1.24 -0.07 -0.34 0.00 0.09 0.00 0.00 40.66 41.58 2vcw h LEU 141 CO 0.63 0.24 -0.84 -0.63 0.09 0.00 0.00 178.44 177.94 2vcw s ILE 142 N -6.16 1.48 0.00 1.22 1.09 -1.26 -4.90 121.20 112.67 2vcw s ILE 142 Ca -0.13 -0.67 0.00 0.00 -1.10 0.00 0.00 60.65 58.75 2vcw s ILE 142 Cb 0.10 -1.33 0.00 0.00 -1.06 0.00 0.00 42.46 40.17 2vcw s ILE 142 CO 0.71 0.43 0.00 0.61 -0.10 0.00 0.00 174.94 176.60 2vcw n GLY 143 N 3.86 -0.08 0.45 6.18 0.00 -1.26 -4.21 105.19 110.14 2vcw n GLY 143 Ca -0.21 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.31 1.68 -3.99 1.61 0.23 -1.26 -4.65 115.26 107.56 2vcw n ASN 144 Ca 0.00 -1.33 -0.12 0.00 -0.53 0.00 0.00 54.58 52.60 2vcw n ASN 144 Cb 0.00 0.22 -0.08 0.00 -2.08 0.00 0.00 39.78 37.83 2vcw n ASN 144 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2vcw s SER 145 N -2.36 0.30 0.32 0.53 1.04 -1.26 -4.92 113.70 107.35 2vcw s SER 145 Ca 0.25 -1.32 -0.29 0.00 0.48 0.00 0.00 55.95 55.07 2vcw s SER 145 Cb 0.19 0.47 -0.10 0.00 0.10 0.00 0.00 66.02 66.68 2vcw s SER 145 CO 0.48 -0.98 1.37 0.54 0.98 0.00 0.00 173.24 175.64 2vcw s VAL 146 N -3.96 2.58 0.38 5.02 0.11 -1.26 -4.72 120.40 118.54 2vcw s VAL 146 Ca 0.34 0.56 0.04 0.00 -2.93 0.00 0.00 61.98 59.99 2vcw s VAL 146 Cb 0.04 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 2vcw s VAL 146 CO 0.13 0.13 0.09 0.42 -3.33 0.00 0.00 175.10 172.54 2vcw s THR 147 N -0.91 0.92 -1.29 5.04 -4.23 -1.26 -4.50 115.64 109.41 2vcw s THR 147 Ca 0.52 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.15 2vcw s THR 147 Cb -0.41 -2.54 0.18 0.00 1.34 0.00 0.00 72.50 71.06 2vcw s THR 147 CO 0.53 0.00 1.35 -2.67 -0.54 0.00 0.00 174.62 173.29 2vcw n TRP 148 N -0.83 0.00 0.06 3.99 4.27 -0.80 -1.92 117.44 122.21 2vcw n TRP 148 Ca -0.05 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.41 2vcw n TRP 148 Cb 0.66 -0.36 -0.06 0.00 -1.36 0.00 0.00 31.31 30.19 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 2.54 0.32 -0.56 -1.67 0.00 -1.88 0.01 119.26 118.03 2vcw h ALA 149 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2vcw h ALA 149 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2vcw h ALA 149 CO 0.00 0.78 0.20 -0.44 0.00 0.00 0.00 179.25 179.80 2vcw h ASP 150 N 0.27 0.79 -0.54 0.00 3.32 -1.79 0.76 116.42 119.23 2vcw h ASP 150 Ca -0.09 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.81 2vcw h ASP 150 Cb 1.59 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.90 2vcw h ASP 150 CO 0.17 0.77 0.30 -0.26 -1.72 0.00 0.00 179.24 178.50 2vcw h PHE 151 N 0.77 0.57 -0.18 4.55 -1.00 -1.41 -1.81 116.94 118.43 2vcw h PHE 151 Ca 0.18 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.86 2vcw h PHE 151 Cb 0.24 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2vcw h PHE 151 CO 0.01 0.30 -0.41 -0.92 -1.61 0.00 0.00 178.31 175.68 2vcw h TYR 152 N 0.60 0.50 -0.20 -0.55 3.20 -0.60 -1.23 116.97 118.68 2vcw h TYR 152 Ca 0.23 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2vcw h TYR 152 Cb 0.08 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2vcw h TYR 152 CO -0.08 0.77 0.12 2.35 -1.64 0.00 0.00 178.16 179.67 2vcw h TRP 153 N 0.35 0.22 -0.53 -3.82 2.91 -0.46 0.49 115.95 115.11 2vcw h TRP 153 Ca 0.03 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 2vcw h TRP 153 Cb 0.87 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 2vcw h TRP 153 CO 0.03 0.13 0.23 1.49 -1.03 0.00 0.00 178.44 179.29 2vcw h GLU 154 N 0.24 0.78 0.06 2.65 4.22 -0.96 -0.81 114.58 120.76 2vcw h GLU 154 Ca 0.08 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 2vcw h GLU 154 Cb -0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 2vcw h GLU 154 CO -0.04 0.67 -0.03 0.82 -2.18 0.00 0.00 179.01 178.25 2vcw h ILE 155 N 0.71 1.03 -0.42 2.32 2.04 -1.06 -1.80 117.51 120.34 2vcw h ILE 155 Ca 0.18 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2vcw h ILE 155 Cb 0.17 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2vcw h ILE 155 CO -0.02 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.41 2vcw h SER 157 N 0.54 0.11 -0.04 0.00 4.64 -1.15 -1.70 113.55 115.95 2vcw h SER 157 Ca 0.14 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2vcw h SER 157 Cb 0.13 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2vcw h SER 157 CO -0.02 0.33 0.02 0.74 -0.87 0.00 0.00 176.83 177.03 2vcw h THR 158 N 0.11 1.02 -0.43 2.95 2.02 -1.07 0.49 112.91 118.00 2vcw h THR 158 Ca 0.02 -0.05 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 2vcw h THR 158 Cb 0.43 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2vcw h THR 158 CO 0.03 0.02 -0.08 0.74 0.37 0.00 0.00 175.52 176.59 2vcw h THR 159 N 0.04 1.27 -0.18 3.16 2.02 -1.35 -3.00 112.91 114.86 2vcw h THR 159 Ca 0.01 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 65.96 2vcw h THR 159 Cb 0.01 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2vcw h THR 159 CO -0.00 0.40 -0.14 -0.07 0.37 0.00 0.00 175.52 176.07 2vcw h LEU 160 N 0.65 0.28 -1.47 2.58 3.38 -1.20 -2.85 115.31 116.67 2vcw h LEU 160 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2vcw h LEU 160 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2vcw h LEU 160 CO 0.04 0.46 -0.09 -0.07 0.09 0.00 0.00 178.44 178.86 2vcw h LEU 161 N 0.28 0.00 0.16 1.67 3.38 -0.76 -1.08 115.31 118.96 2vcw h LEU 161 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2vcw h LEU 161 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2vcw h LEU 161 CO 0.03 0.09 -0.08 0.58 0.09 0.00 0.00 178.44 179.15 2vcw h VAL 162 N 0.00 0.90 0.00 1.22 2.07 -1.45 -1.96 116.25 117.02 2vcw h VAL 162 Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 2vcw h VAL 162 Cb 0.55 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2vcw h VAL 162 CO 0.01 0.06 -0.40 -0.26 0.02 0.00 0.00 177.57 177.00 2vcw h PHE 163 N -0.34 0.00 -2.41 1.57 -1.00 -1.65 -3.40 116.94 109.71 2vcw h PHE 163 Ca -0.02 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.19 2vcw h PHE 163 Cb 0.27 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 39.45 2vcw h PHE 163 CO -0.03 0.32 -0.90 0.21 -1.61 0.00 0.00 178.31 176.30 2vcw s LYS 164 N -3.06 0.73 0.52 1.51 2.20 -0.42 -4.99 119.74 116.23 2vcw s LYS 164 Ca 0.04 -1.67 0.18 0.00 -0.36 0.00 0.00 55.97 54.17 2vcw s LYS 164 Cb 0.07 -1.29 1.32 0.00 -1.51 0.00 0.00 37.83 36.42 2vcw s LYS 164 CO 0.73 -1.30 2.14 -1.35 -0.36 0.00 0.00 175.35 175.20 2vcw h PRO 165 N 6.32 0.00 -0.44 4.03 0.11 -1.57 -2.40 132.00 138.05 2vcw h PRO 165 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2vcw h PRO 165 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2vcw h PRO 165 CO 0.30 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.73 2vcw n ASP 166 N -4.35 2.29 -0.24 -2.05 3.85 -1.26 -4.49 116.55 110.29 2vcw n ASP 166 Ca -0.03 -2.06 0.02 0.00 -0.71 0.00 0.00 54.79 52.01 2vcw n ASP 166 Cb 0.12 -0.30 0.15 0.00 -1.35 0.00 0.00 41.12 39.73 2vcw n ASP 166 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2vcw h LEU 167 N 2.30 0.39 -3.86 -2.12 5.85 -1.80 -2.98 115.31 113.09 2vcw h LEU 167 Ca 0.00 0.07 -0.54 0.00 0.84 0.00 0.00 57.88 58.25 2vcw h LEU 167 Cb 0.62 0.02 -0.29 0.00 0.37 0.00 0.00 40.66 41.38 2vcw h LEU 167 CO 0.03 0.21 0.44 0.18 -0.34 0.00 0.00 178.44 178.96 2vcw n LEU 168 N -4.91 6.51 0.04 2.25 4.77 -1.26 -4.64 117.00 119.76 2vcw n LEU 168 Ca 0.11 -4.08 -0.15 0.00 -0.03 0.00 0.00 56.01 51.86 2vcw n LEU 168 Cb 0.31 -0.80 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 2vcw n LEU 168 CO 0.23 1.41 0.20 0.44 -1.33 0.00 0.00 177.39 178.34 2vcw h ASP 169 N 1.59 0.69 -0.62 -1.43 3.32 -1.85 -3.23 116.42 114.88 2vcw h ASP 169 Ca 0.53 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2vcw h ASP 169 Cb 1.62 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2vcw h ASP 169 CO 1.16 1.30 0.00 0.59 -1.72 0.00 0.00 179.24 180.57 2vcw n ASN 170 N -3.82 3.43 -3.24 6.45 3.02 -1.26 -4.56 115.26 115.28 2vcw n ASN 170 Ca -0.07 -2.03 -0.24 0.00 -0.03 0.00 0.00 54.58 52.20 2vcw n ASN 170 Cb 0.81 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.30 1.01 0.29 3.10 8.25 -1.22 -4.95 115.22 123.00 2vcw n HIS 171 Ca 0.21 -3.77 0.14 0.00 -0.26 0.00 0.00 57.72 54.04 2vcw n HIS 171 Cb 0.55 -0.42 0.87 0.00 1.12 0.00 0.00 29.99 32.11 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 3.90 0.00 -0.20 -0.41 0.13 -1.80 -2.19 132.00 131.42 2vcw h PRO 172 Ca 0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 2vcw h PRO 172 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 2vcw h PRO 172 CO 0.59 0.01 -0.22 0.00 -0.23 0.00 0.00 178.00 178.15 2vcw h ARG 173 N 0.00 0.35 0.00 0.86 3.08 -1.93 -1.27 114.38 115.48 2vcw h ARG 173 Ca -0.00 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.76 2vcw h ARG 173 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 2vcw h ARG 173 CO 0.00 0.56 -0.82 -0.07 -1.07 0.00 0.00 179.97 178.57 2vcw h LEU 174 N 0.32 0.05 -0.43 3.04 3.38 -1.79 -2.74 115.31 117.15 2vcw h LEU 174 Ca 0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2vcw h LEU 174 Cb 0.56 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2vcw h LEU 174 CO 0.04 0.85 -0.03 0.58 0.09 0.00 0.00 178.44 179.96 2vcw h VAL 175 N 0.02 1.27 -0.70 1.22 2.07 -1.29 -2.48 116.25 116.36 2vcw h VAL 175 Ca -0.02 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2vcw h VAL 175 Cb 1.44 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2vcw h VAL 175 CO 0.11 0.37 0.39 0.74 0.02 0.00 0.00 177.57 179.20 2vcw h THR 176 N 0.61 1.21 -0.51 2.57 2.02 -1.23 -0.60 112.91 116.99 2vcw h THR 176 Ca 0.12 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2vcw h THR 176 Cb 0.54 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2vcw h THR 176 CO 0.03 0.24 0.33 0.25 0.37 0.00 0.00 175.52 176.74 2vcw h LEU 177 N 0.96 0.59 0.06 2.58 5.85 -1.38 0.22 115.31 124.19 2vcw h LEU 177 Ca 0.25 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2vcw h LEU 177 Cb 0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2vcw h LEU 177 CO -0.04 0.44 -0.14 0.03 -0.34 0.00 0.00 178.44 178.39 2vcw h ARG 178 N 0.69 -0.25 -0.55 1.25 3.08 -1.02 -1.03 114.38 116.55 2vcw h ARG 178 Ca 0.19 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2vcw h ARG 178 Cb -0.07 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 2vcw h ARG 178 CO -0.04 -0.17 0.31 -0.22 -1.07 0.00 0.00 179.97 178.78 2vcw h LYS 179 N -0.26 0.58 -0.73 0.04 1.63 -0.81 0.19 116.57 117.21 2vcw h LYS 179 Ca 0.03 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2vcw h LYS 179 Cb 0.29 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.74 2vcw h LYS 179 CO -0.09 0.38 0.46 0.87 -3.45 0.00 0.00 179.45 177.63 2vcw h LYS 180 N 0.60 0.88 -0.36 1.90 1.57 -0.30 0.62 116.57 121.48 2vcw h LYS 180 Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2vcw h LYS 180 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2vcw h LYS 180 CO -0.13 0.58 0.09 0.28 -0.57 0.00 0.00 179.45 179.70 2vcw h VAL 181 N 0.91 1.22 0.00 0.50 2.07 -0.64 -2.64 116.25 117.67 2vcw h VAL 181 Ca 0.29 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.07 2vcw h VAL 181 Cb 0.01 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 2vcw h VAL 181 CO -0.11 0.25 0.00 1.56 0.02 0.00 0.00 177.57 179.29 2vcw h GLN 182 N 0.43 0.00 0.00 1.57 4.20 -0.28 -2.77 115.11 118.25 2vcw h GLN 182 Ca 0.11 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 2vcw h GLN 182 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2vcw h GLN 182 CO 0.00 0.00 -0.73 0.00 -0.67 0.00 0.00 178.83 177.43 2vcw h ALA 183 N 2.02 0.68 -1.78 3.87 0.00 -0.53 -3.28 119.26 120.24 2vcw h ALA 183 Ca 0.00 -0.50 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 2vcw h ALA 183 Cb 0.30 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2vcw h ALA 183 CO 0.00 0.62 1.05 -0.89 0.00 0.00 0.00 179.25 180.03 2vcw n ILE 184 N -3.10 0.46 -0.32 0.00 5.41 -1.05 -4.72 119.36 116.04 2vcw n ILE 184 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 62.75 63.63 2vcw n ILE 184 Cb 0.74 -1.63 0.04 0.00 -0.71 0.00 0.00 39.64 38.08 2vcw n ILE 184 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2vcw h PRO 185 N 8.75 -0.05 -0.44 0.38 0.11 -1.90 0.22 132.00 139.07 2vcw h PRO 185 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2vcw h PRO 185 Cb 1.29 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 2vcw h PRO 185 CO 0.96 -0.03 0.22 0.00 -0.21 0.00 0.00 178.00 178.94 2vcw h ALA 186 N 1.33 1.57 0.06 -0.75 0.00 -1.88 -1.50 119.26 118.09 2vcw h ALA 186 Ca 0.32 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 2vcw h ALA 186 Cb 0.59 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.22 2vcw h ALA 186 CO -0.89 0.36 -0.83 0.28 0.00 0.00 0.00 179.25 178.16 2vcw h VAL 187 N 0.61 1.40 -0.76 0.00 2.07 -1.33 -2.68 116.25 115.56 2vcw h VAL 187 Ca 0.16 -2.28 0.07 0.00 0.82 0.00 0.00 66.70 65.47 2vcw h VAL 187 Cb 0.05 2.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 2vcw h VAL 187 CO -0.02 0.67 0.44 0.00 0.02 0.00 0.00 177.57 178.68 2vcw h ALA 188 N 0.27 1.04 -0.50 1.67 0.00 -0.41 -0.21 119.26 121.12 2vcw h ALA 188 Ca -0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2vcw h ALA 188 Cb 1.56 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 2vcw h ALA 188 CO 0.16 0.12 0.04 -0.91 0.00 0.00 0.00 179.25 178.66 2vcw h ASN 189 N 0.79 0.83 -0.78 0.00 2.35 -1.33 -2.39 115.58 115.05 2vcw h ASN 189 Ca 0.34 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 2vcw h ASN 189 Cb 0.23 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2vcw h ASN 189 CO -0.20 0.91 0.29 -0.25 -1.65 0.00 0.00 177.43 176.53 2vcw h TRP 190 N 0.72 1.20 -0.15 1.19 2.91 -1.06 -0.45 115.95 120.32 2vcw h TRP 190 Ca 0.15 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 2vcw h TRP 190 Cb 0.46 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 2vcw h TRP 190 CO 0.03 0.92 0.00 0.82 -1.03 0.00 0.00 178.44 179.19 2vcw h ILE 191 N 1.14 1.10 0.17 2.65 2.04 -0.86 0.27 117.51 124.02 2vcw h ILE 191 Ca 0.26 -0.39 -0.30 0.00 1.00 0.00 0.00 64.86 65.43 2vcw h ILE 191 Cb 0.25 0.99 0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2vcw h ILE 191 CO -0.02 0.13 -1.31 0.11 0.00 0.00 0.00 178.15 177.06 2vcw h LYS 192 N 0.22 0.41 0.16 2.37 1.57 -0.92 -3.37 116.57 117.00 2vcw h LYS 192 Ca 0.05 -0.66 -0.29 0.00 -1.87 0.00 0.00 60.65 57.88 2vcw h LYS 192 Cb 0.15 0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2vcw h LYS 192 CO 0.00 1.31 -1.33 -0.09 -0.57 0.00 0.00 179.45 178.77 2vcw h ARG 193 N 0.13 0.33 -7.00 3.15 2.43 -0.57 -3.47 114.38 109.38 2vcw h ARG 193 Ca -0.18 -0.57 -0.56 0.00 -0.81 0.00 0.00 59.98 57.86 2vcw h ARG 193 Cb 2.01 0.21 0.15 0.00 -0.42 0.00 0.00 29.97 31.92 2vcw h ARG 193 CO 0.23 1.26 0.49 2.89 -1.51 0.00 0.00 179.97 183.34 2vcw n ARG 194 N -3.57 1.44 -1.67 0.20 1.85 0.89 -4.91 116.66 110.90 2vcw n ARG 194 Ca -0.11 0.54 -0.45 0.00 -1.00 0.00 0.00 57.85 56.83 2vcw n ARG 194 Cb 1.05 -2.48 -0.02 0.00 -1.05 0.00 0.00 32.46 29.95 2vcw n ARG 194 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2vcw n PRO 195 N -1.15 2.02 -2.66 2.89 -0.02 -1.26 -4.90 135.00 129.92 2vcw n PRO 195 Ca 0.12 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2vcw n PRO 195 Cb 0.45 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 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 -0.56 3.27 0.30 -0.52 0.74 -1.26 -4.97 119.66 116.64 2vcw s GLN 196 Ca 0.67 -0.66 0.09 0.00 0.05 0.00 0.00 55.36 55.50 2vcw s GLN 196 Cb -0.65 -4.45 -0.04 0.00 1.10 0.00 0.00 33.01 28.98 2vcw s GLN 196 CO 0.51 -2.04 0.07 0.95 -0.55 0.00 0.00 175.29 174.23 2vcw s THR 197 N 4.93 3.36 0.06 -0.34 -4.23 -1.26 -5.06 115.64 113.10 2vcw s THR 197 Ca 0.33 -1.78 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 2vcw s THR 197 Cb -0.09 -2.95 -0.12 0.00 1.34 0.00 0.00 72.50 70.69 2vcw s THR 197 CO 0.08 -0.29 1.41 0.50 -0.54 0.00 0.00 174.62 175.77 2vcw h LYS 198 N 1.72 0.43 -0.00 3.99 3.64 -1.95 -3.48 116.57 120.92 2vcw h LYS 198 Ca -0.44 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2vcw h LYS 198 Cb 1.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2vcw h LYS 198 CO 0.62 0.74 0.00 1.28 -2.27 0.00 0.00 179.45 179.81