#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pav s THR 6 N 0.00 3.74 0.49 1.09 2.01 -1.26 -5.05 115.64 116.66 2pav s THR 6 Ca 0.00 -0.40 -0.22 0.00 0.31 0.00 0.00 61.69 61.37 2pav s THR 6 Cb 0.00 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.80 2pav s THR 6 CO 0.00 0.48 1.19 0.00 -0.69 0.00 0.00 174.62 175.60 2pav s ALA 7 N 0.56 2.90 0.18 7.40 0.00 -1.26 -4.47 121.76 127.08 2pav s ALA 7 Ca -0.03 0.99 -0.06 0.00 0.00 0.00 0.00 51.96 52.86 2pav s ALA 7 Cb -0.14 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 2pav s ALA 7 CO 0.03 -0.81 0.44 -0.51 0.00 0.00 0.00 175.76 174.91 2pav s LEU 8 N -3.23 4.22 -0.15 0.00 1.43 0.11 -1.08 118.68 119.99 2pav s LEU 8 Ca 0.66 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2pav s LEU 8 Cb -0.30 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.51 2pav s LEU 8 CO 0.36 -0.00 -0.14 -0.69 0.23 0.00 0.00 176.35 176.11 2pav s VAL 9 N -1.74 1.56 -0.21 -1.59 1.01 0.17 -0.55 120.40 119.05 2pav s VAL 9 Ca 0.43 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2pav s VAL 9 Cb -0.12 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.84 2pav s VAL 9 CO 0.24 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.68 2pav s ASP 11 N 1.37 5.59 -0.43 0.00 2.15 0.42 -2.46 116.67 123.30 2pav s ASP 11 Ca -0.03 -1.63 -0.20 0.00 0.43 0.00 0.00 52.55 51.12 2pav s ASP 11 Cb -0.17 -1.97 0.02 0.00 -0.30 0.00 0.00 42.92 40.50 2pav s ASP 11 CO -0.08 -0.56 0.61 0.20 -0.17 0.00 0.00 175.17 175.17 2pav s ASN 12 N 2.18 6.30 0.43 -0.34 -0.87 -1.26 -1.27 114.94 120.12 2pav s ASN 12 Ca 0.04 -0.38 0.06 0.00 -1.57 0.00 0.00 52.86 51.01 2pav s ASN 12 Cb -0.24 -2.30 0.01 0.00 -0.02 0.00 0.00 41.25 38.70 2pav s ASN 12 CO 0.01 -0.74 0.60 -0.83 -2.57 0.00 0.00 177.10 173.57 2pav s GLY 13 N 1.96 1.82 0.38 0.66 0.00 -0.50 -4.92 107.32 106.72 2pav s GLY 13 Ca 0.21 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.48 2pav s GLY 13 CO 0.18 -1.32 2.01 1.76 0.00 0.00 0.00 173.10 175.73 2pav h SER 14 N 0.55 0.55 0.00 1.64 0.02 -1.91 -3.34 113.55 111.06 2pav h SER 14 Ca -0.42 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.30 2pav h SER 14 Cb 1.28 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2pav h SER 14 CO 0.49 0.44 -1.73 0.61 -1.14 0.00 0.00 176.83 175.51 2pav n GLY 15 N -1.34 -0.18 3.02 -3.77 0.00 -1.26 -4.69 105.19 96.96 2pav n GLY 15 Ca 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 2pav n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pav s LEU 16 N -5.84 1.92 -0.03 0.99 1.43 -1.25 -1.17 118.68 114.72 2pav s LEU 16 Ca -0.17 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 52.58 2pav s LEU 16 Cb 0.05 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 2pav s LEU 16 CO 0.29 0.09 0.48 -0.69 0.23 0.00 0.00 176.35 176.75 2pav s VAL 17 N -0.05 5.03 -0.16 -1.59 1.01 0.44 -1.41 120.40 123.68 2pav s VAL 17 Ca 0.01 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.98 2pav s VAL 17 Cb -0.06 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pav s VAL 17 CO -0.00 0.46 -0.17 -0.54 0.00 0.00 0.00 175.10 174.85 2pav s LYS 18 N -0.35 2.62 0.09 2.72 3.01 -0.39 -1.66 119.74 125.77 2pav s LYS 18 Ca 0.26 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.56 2pav s LYS 18 Cb -0.17 -2.32 -0.04 0.00 -1.01 0.00 0.00 37.83 34.30 2pav s LYS 18 CO 0.13 -0.22 -0.09 0.00 0.51 0.00 0.00 175.35 175.69 2pav s ALA 19 N 1.39 0.97 0.00 5.17 0.00 0.03 -0.44 121.76 128.88 2pav s ALA 19 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2pav s ALA 19 Cb -0.13 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2pav s ALA 19 CO -0.12 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2pav n GLY 20 N 0.55 -0.61 3.44 0.00 0.00 -0.46 -1.19 105.19 106.92 2pav n GLY 20 Ca -0.16 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 2pav n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pav s PHE 21 N -3.57 2.80 0.19 1.61 0.08 -1.26 -0.65 117.98 117.18 2pav s PHE 21 Ca 0.00 -0.39 -0.33 0.00 0.12 0.00 0.00 56.93 56.33 2pav s PHE 21 Cb 0.00 -1.77 -0.14 0.00 -0.57 0.00 0.00 43.02 40.54 2pav s PHE 21 CO 0.00 -0.01 1.45 0.00 -0.10 0.00 0.00 175.22 176.56 2pav n ALA 22 N 3.00 0.88 0.00 5.36 0.00 -0.24 -1.80 120.51 127.71 2pav n ALA 22 Ca -0.18 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2pav n ALA 22 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.71 2pav n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pav n GLY 23 N 2.68 3.39 3.80 0.00 0.00 -1.23 -4.77 105.19 109.06 2pav n GLY 23 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2pav n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pav s ASP 24 N -0.97 6.40 0.00 1.61 1.01 -0.74 -4.97 116.67 119.00 2pav s ASP 24 Ca 0.00 1.88 0.29 0.00 0.71 0.00 0.00 52.55 55.42 2pav s ASP 24 Cb 0.00 -2.55 1.21 0.00 1.01 0.00 0.00 42.92 42.58 2pav s ASP 24 CO 0.00 -0.74 1.84 -0.90 0.21 0.00 0.00 175.17 175.58 2pav n ASP 25 N -1.02 0.67 -3.61 0.27 5.68 -1.26 -4.88 116.55 112.40 2pav n ASP 25 Ca 0.09 -0.82 -0.14 0.00 -0.50 0.00 0.00 54.79 53.42 2pav n ASP 25 Cb 0.53 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.43 2pav n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pav s ALA 26 N -2.35 -1.22 0.24 2.12 0.00 -1.26 -4.93 121.76 114.37 2pav s ALA 26 Ca 0.32 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 2pav s ALA 26 Cb 0.20 0.36 -0.10 0.00 0.00 0.00 0.00 23.12 23.58 2pav s ALA 26 CO 0.45 -0.48 1.40 -1.25 0.00 0.00 0.00 175.76 175.88 2pav s PRO 27 N -2.41 4.30 0.30 0.00 0.04 -1.26 -4.82 135.00 131.15 2pav s PRO 27 Ca -0.06 2.23 0.06 0.00 0.04 0.00 0.00 61.00 63.28 2pav s PRO 27 Cb -0.01 -3.13 0.48 0.00 0.04 0.00 0.00 34.50 31.89 2pav s PRO 27 CO -0.02 -0.37 1.72 0.00 0.04 0.00 0.00 177.00 178.38 2pav h ARG 28 N 5.05 0.27 -4.29 4.56 3.08 -1.53 -3.44 114.38 118.07 2pav h ARG 28 Ca -0.46 -0.12 -0.47 0.00 0.07 0.00 0.00 59.98 59.01 2pav h ARG 28 Cb 1.22 -0.01 -0.34 0.00 0.08 0.00 0.00 29.97 30.92 2pav h ARG 28 CO 0.77 0.60 -0.79 0.00 -1.07 0.00 0.00 179.97 179.48 2pav s ALA 29 N -4.24 0.99 -0.06 0.04 0.00 -0.69 -5.02 121.76 112.78 2pav s ALA 29 Ca -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 2pav s ALA 29 Cb 0.14 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2pav s ALA 29 CO 0.77 0.03 -0.02 0.08 0.00 0.00 0.00 175.76 176.62 2pav s VAL 30 N 0.82 0.48 0.08 0.00 1.01 -1.26 -0.79 120.40 120.74 2pav s VAL 30 Ca -0.12 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 2pav s VAL 30 Cb -0.15 -0.58 0.06 0.00 0.00 0.00 0.00 36.38 35.71 2pav s VAL 30 CO 0.02 0.25 0.53 0.72 0.00 0.00 0.00 175.10 176.62 2pav s PHE 31 N 1.53 -0.44 0.30 5.22 -0.71 -0.67 -4.98 117.98 118.24 2pav s PHE 31 Ca -0.01 0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.98 2pav s PHE 31 Cb -0.13 0.39 -0.11 0.00 -1.21 0.00 0.00 43.02 41.96 2pav s PHE 31 CO -0.03 -0.70 1.54 -1.25 -1.34 0.00 0.00 175.22 173.44 2pav s PRO 32 N -2.86 4.15 -1.41 1.99 0.04 -1.26 -0.42 135.00 135.24 2pav s PRO 32 Ca -0.03 2.52 -0.14 0.00 0.04 0.00 0.00 61.00 63.39 2pav s PRO 32 Cb -0.00 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.57 2pav s PRO 32 CO -0.05 -0.56 2.09 0.45 0.04 0.00 0.00 177.00 178.97 2pav n SER 33 N 1.83 4.23 -4.07 6.66 2.88 -0.32 -3.52 113.62 121.31 2pav n SER 33 Ca 0.06 -2.89 -0.19 0.00 -1.33 0.00 0.00 58.87 54.52 2pav n SER 33 Cb 0.38 -1.65 -0.14 0.00 -0.75 0.00 0.00 64.21 62.05 2pav n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2pav s ILE 34 N 2.94 0.88 -0.10 2.46 1.01 -1.26 -4.25 121.20 122.87 2pav s ILE 34 Ca 0.47 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2pav s ILE 34 Cb 0.11 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.84 2pav s ILE 34 CO -0.05 0.15 -0.17 -0.69 0.00 0.00 0.00 174.94 174.18 2pav s VAL 35 N -0.45 1.59 -0.05 2.92 1.01 -0.52 -1.36 120.40 123.54 2pav s VAL 35 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.32 2pav s VAL 35 Cb -0.05 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2pav s VAL 35 CO 0.00 0.46 -0.09 -0.83 0.00 0.00 0.00 175.10 174.64 2pav s GLY 36 N 0.81 1.67 0.13 4.51 0.00 0.82 -1.33 107.32 113.94 2pav s GLY 36 Ca -0.10 -0.94 0.06 0.00 0.00 0.00 0.00 44.72 43.74 2pav s GLY 36 CO 0.01 -0.74 -0.14 0.50 0.00 0.00 0.00 173.10 172.73 2pav s ARG 37 N -0.92 1.06 0.33 2.90 0.52 -0.89 -0.88 118.95 121.08 2pav s ARG 37 Ca 0.13 -1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 53.77 2pav s ARG 37 Cb -0.11 -0.92 -0.13 0.00 0.52 0.00 0.00 34.95 34.32 2pav s ARG 37 CO 0.02 0.17 1.26 -2.30 0.02 0.00 0.00 175.30 174.47 2pav n PRO 38 N 0.39 2.03 0.18 3.54 -0.02 -1.26 -0.32 135.00 139.53 2pav n PRO 38 Ca -0.14 0.71 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2pav n PRO 38 Cb 0.58 -2.27 0.46 0.00 -0.02 0.00 0.00 33.50 32.25 2pav n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pav h ARG 39 N 2.50 0.11 -5.42 -0.52 3.08 -1.70 -3.42 114.38 109.01 2pav h ARG 39 Ca -0.45 -0.02 -0.46 0.00 0.07 0.00 0.00 59.98 59.12 2pav h ARG 39 Cb 1.29 -0.02 -0.24 0.00 0.08 0.00 0.00 29.97 31.08 2pav h ARG 39 CO 0.62 0.26 -0.80 -1.01 -1.07 0.00 0.00 179.97 177.98 2pav s HIS 40 N -4.71 1.29 -0.56 3.04 3.76 -1.26 -4.95 115.29 111.91 2pav s HIS 40 Ca -0.05 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.23 2pav s HIS 40 Cb 0.16 -0.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.99 2pav s HIS 40 CO 0.71 0.05 2.44 1.04 -0.85 0.00 0.00 174.74 178.13 2pav n GLN 41 N 1.81 0.91 -0.06 1.40 1.13 -1.26 -5.18 117.38 116.12 2pav n GLN 41 Ca -0.18 -0.06 -0.07 0.00 -1.94 0.00 0.00 57.00 54.74 2pav n GLN 41 Cb 0.54 -3.29 -0.02 0.00 0.11 0.00 0.00 30.24 27.58 2pav n GLN 41 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2pav n ASP 51 N 15.64 1.61 -3.54 1.08 -0.08 -1.26 -5.20 116.55 124.79 2pav n ASP 51 Ca 0.40 0.27 -0.16 0.00 -1.51 0.00 0.00 54.79 53.79 2pav n ASP 51 Cb 0.49 -0.65 -0.06 0.00 2.34 0.00 0.00 41.12 43.24 2pav n ASP 51 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2pav s SER 52 N -5.72 -0.56 0.12 1.67 1.04 -1.26 -4.40 113.70 104.59 2pav s SER 52 Ca -0.22 0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.74 2pav s SER 52 Cb 0.03 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 2pav s SER 52 CO 0.33 -0.66 -0.16 -0.31 0.98 0.00 0.00 173.24 173.42 2pav s TYR 53 N -1.76 1.54 0.04 5.02 2.02 -0.06 -4.98 117.35 119.18 2pav s TYR 53 Ca -0.09 -0.50 0.06 0.00 -0.37 0.00 0.00 57.07 56.17 2pav s TYR 53 Cb -0.01 -0.81 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 2pav s TYR 53 CO 0.04 0.19 -0.17 0.08 -1.57 0.00 0.00 175.55 174.12 2pav s VAL 54 N -1.88 1.36 0.00 0.71 1.01 -1.26 -0.13 120.40 120.21 2pav s VAL 54 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.97 2pav s VAL 54 Cb -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2pav s VAL 54 CO 0.04 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2pav n GLY 55 N 1.84 1.77 0.31 4.51 0.00 -0.46 -3.17 105.19 109.98 2pav n GLY 55 Ca -0.18 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 2pav n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pav h ASP 56 N 3.25 0.97 -0.69 1.61 3.32 -1.92 -1.89 116.42 121.05 2pav h ASP 56 Ca 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 2pav h ASP 56 Cb 0.00 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2pav h ASP 56 CO 0.00 0.86 0.29 -0.08 -1.72 0.00 0.00 179.24 178.59 2pav h GLU 57 N 1.01 1.04 -0.46 3.56 4.81 -1.96 -0.47 114.58 122.12 2pav h GLU 57 Ca 0.24 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2pav h GLU 57 Cb 0.18 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2pav h GLU 57 CO -0.02 0.84 0.13 0.00 -0.73 0.00 0.00 179.01 179.23 2pav h ALA 58 N 1.30 0.60 -0.54 2.92 0.00 -1.43 -0.11 119.26 122.00 2pav h ALA 58 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2pav h ALA 58 Cb 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2pav h ALA 58 CO -0.02 0.26 0.17 0.37 0.00 0.00 0.00 179.25 180.03 2pav h GLN 59 N 0.61 0.84 -0.92 0.00 4.15 -1.03 -1.83 115.11 116.93 2pav h GLN 59 Ca 0.15 -0.18 0.03 0.00 0.77 0.00 0.00 58.65 59.41 2pav h GLN 59 Cb 0.28 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2pav h GLN 59 CO -0.00 0.77 0.60 0.77 -1.93 0.00 0.00 178.83 179.04 2pav h SER 60 N 0.75 1.01 -0.47 -0.69 0.02 -0.72 -2.38 113.55 111.07 2pav h SER 60 Ca 0.17 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2pav h SER 60 Cb 0.28 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2pav h SER 60 CO -0.01 0.70 0.00 0.29 -1.14 0.00 0.00 176.83 176.68 2pav n LYS 61 N -4.43 3.77 0.29 3.45 5.02 -0.09 -4.63 118.16 121.56 2pav n LYS 61 Ca 0.12 -2.40 0.18 0.00 -2.02 0.00 0.00 58.31 54.19 2pav n LYS 61 Cb 0.08 -1.99 0.99 0.00 -0.02 0.00 0.00 35.03 34.08 2pav n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 2pav h ARG 62 N 3.17 0.00 0.00 1.97 0.11 -0.78 -1.66 114.38 117.19 2pav h ARG 62 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2pav h ARG 62 Cb 1.51 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.59 2pav h ARG 62 CO 0.32 0.00 -0.05 0.78 0.10 0.00 0.00 179.97 181.12 2pav h GLY 63 N 0.00 0.00 -0.30 0.08 0.00 -1.85 -2.83 103.07 98.17 2pav h GLY 63 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2pav h GLY 63 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 2pav n ILE 64 N -3.22 1.39 -4.34 2.60 -5.35 -0.63 -5.04 119.36 104.77 2pav n ILE 64 Ca -0.01 -1.47 -0.19 0.00 -0.27 0.00 0.00 62.75 60.81 2pav n ILE 64 Cb 0.26 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.27 2pav n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2pav s LEU 65 N -1.74 2.53 -0.30 7.28 1.43 -1.07 -2.09 118.68 124.71 2pav s LEU 65 Ca 0.17 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 2pav s LEU 65 Cb 0.13 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 2pav s LEU 65 CO 0.04 -0.14 0.17 -0.89 0.23 0.00 0.00 176.35 175.76 2pav s THR 66 N -2.76 4.85 -0.07 5.49 2.01 0.56 -4.71 115.64 121.02 2pav s THR 66 Ca 0.21 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2pav s THR 66 Cb -0.02 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 2pav s THR 66 CO 0.07 0.12 0.35 -0.76 -0.69 0.00 0.00 174.62 173.70 2pav s LEU 67 N 1.67 4.39 0.05 4.42 1.43 -1.26 -2.10 118.68 127.28 2pav s LEU 67 Ca 0.06 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2pav s LEU 67 Cb -0.17 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.56 2pav s LEU 67 CO 0.08 0.25 -0.12 -0.54 0.23 0.00 0.00 176.35 176.25 2pav s LYS 68 N -0.55 0.79 -0.41 1.70 1.02 -0.44 -4.98 119.74 116.86 2pav s LYS 68 Ca 0.21 -0.79 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 2pav s LYS 68 Cb -0.15 -0.75 0.06 0.00 -0.52 0.00 0.00 37.83 36.47 2pav s LYS 68 CO 0.10 0.17 0.27 0.71 -0.92 0.00 0.00 175.35 175.68 2pav s TYR 69 N -1.04 3.28 -0.26 3.18 1.51 -1.26 -1.43 117.35 121.32 2pav s TYR 69 Ca -0.02 -1.15 0.28 0.00 -1.01 0.00 0.00 57.07 55.17 2pav s TYR 69 Cb -0.09 -2.78 1.12 0.00 -0.11 0.00 0.00 41.96 40.10 2pav s TYR 69 CO 0.01 -0.75 1.82 -1.35 -1.11 0.00 0.00 175.55 174.17 2pav h PRO 70 N 8.50 0.00 -5.08 -1.71 0.11 -1.88 -3.41 132.00 128.53 2pav h PRO 70 Ca -0.25 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.21 2pav h PRO 70 Cb 1.10 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.98 2pav h PRO 70 CO 0.75 0.00 -0.66 0.42 -0.21 0.00 0.00 178.00 178.30 2pav s ILE 71 N -3.45 4.01 -0.43 4.15 1.01 -1.26 0.03 121.20 125.25 2pav s ILE 71 Ca 0.03 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.44 2pav s ILE 71 Cb 0.09 -2.83 0.43 0.00 0.01 0.00 0.00 42.46 40.16 2pav s ILE 71 CO 0.46 0.41 1.21 1.21 0.00 0.00 0.00 174.94 178.23 2pav n GLU 72 N 4.41 3.42 0.00 2.79 4.07 -1.26 -4.58 120.64 129.49 2pav n GLU 72 Ca -0.17 -4.34 0.00 0.00 -0.06 0.00 0.00 57.16 52.59 2pav n GLU 72 Cb 0.52 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.64 2pav n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2pav n GLY 74 N -0.55 0.00 3.58 8.31 0.00 -1.26 -4.72 105.19 110.55 2pav n GLY 74 Ca 0.42 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2pav n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pav s ILE 75 N 0.00 4.28 0.01 -0.61 -1.09 -1.26 -4.08 121.20 118.45 2pav s ILE 75 Ca 0.00 -0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 57.89 2pav s ILE 75 Cb 0.00 -2.88 -0.06 0.00 -1.58 0.00 0.00 42.46 37.93 2pav s ILE 75 CO 0.00 0.50 1.53 -0.63 -1.23 0.00 0.00 174.94 175.11 2pav s ILE 76 N 0.17 3.46 0.00 2.92 1.01 -1.26 -4.35 121.20 123.15 2pav s ILE 76 Ca 0.01 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.48 2pav s ILE 76 Cb -0.13 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2pav s ILE 76 CO 0.02 -0.02 0.00 0.35 0.00 0.00 0.00 174.94 175.29 2pav n THR 77 N 4.85 0.00 -3.96 2.92 -2.24 0.10 -4.93 114.28 111.02 2pav n THR 77 Ca 0.15 -0.19 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 2pav n THR 77 Cb 0.42 0.68 -0.15 0.00 -2.10 0.00 0.00 70.33 69.19 2pav n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2pav s ASN 78 N -1.41 4.49 0.12 3.42 3.84 -1.08 -5.01 114.94 119.31 2pav s ASN 78 Ca 0.00 -1.87 -0.09 0.00 0.21 0.00 0.00 52.86 51.12 2pav s ASN 78 Cb 0.00 -1.42 -0.09 0.00 -0.55 0.00 0.00 41.25 39.19 2pav s ASN 78 CO 0.00 -0.35 1.33 -0.50 -2.79 0.00 0.00 177.10 174.79 2pav h TRP 79 N 7.76 0.87 -0.26 0.43 4.06 -1.92 -0.38 115.95 126.52 2pav h TRP 79 Ca -0.09 -0.40 0.01 0.00 2.06 0.00 0.00 58.89 60.47 2pav h TRP 79 Cb 1.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 2pav h TRP 79 CO 0.46 1.21 0.15 -0.44 -3.56 0.00 0.00 178.44 176.26 2pav h ASP 80 N 0.42 0.24 0.34 -3.49 3.32 -2.00 -1.37 116.42 113.89 2pav h ASP 80 Ca -0.06 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 2pav h ASP 80 Cb 1.42 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 2pav h ASP 80 CO 0.16 0.17 -0.53 0.44 -1.72 0.00 0.00 179.24 177.76 2pav h ASP 81 N 0.30 0.23 -0.66 6.45 3.32 -1.97 -2.62 116.42 121.46 2pav h ASP 81 Ca 0.10 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 2pav h ASP 81 Cb -0.00 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2pav h ASP 81 CO -0.05 0.72 0.13 -0.03 -1.72 0.00 0.00 179.24 178.29 2pav h MET 82 N 0.16 1.09 -0.47 3.56 4.05 -0.79 -1.18 114.93 121.35 2pav h MET 82 Ca 0.00 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 2pav h MET 82 Cb 0.99 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 2pav h MET 82 CO 0.08 0.99 0.12 1.49 0.23 0.00 0.00 176.91 179.81 2pav h GLU 83 N 1.03 0.71 -0.67 0.39 4.81 -1.14 -0.59 114.58 119.11 2pav h GLU 83 Ca 0.21 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2pav h GLU 83 Cb 0.41 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 2pav h GLU 83 CO 0.01 0.64 0.23 0.87 -0.73 0.00 0.00 179.01 180.03 2pav h LYS 84 N 0.69 1.01 0.08 1.92 1.79 -0.96 0.52 116.57 121.62 2pav h LYS 84 Ca 0.16 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2pav h LYS 84 Cb 0.25 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2pav h LYS 84 CO -0.00 0.85 -0.04 0.82 -1.08 0.00 0.00 179.45 180.00 2pav h ILE 85 N 0.98 0.99 -0.42 1.86 2.04 -0.41 -1.09 117.51 121.47 2pav h ILE 85 Ca 0.22 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2pav h ILE 85 Cb 0.24 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2pav h ILE 85 CO -0.01 0.06 0.28 -0.50 0.00 0.00 0.00 178.15 177.98 2pav h TRP 86 N -0.21 0.53 -0.46 1.37 6.55 -0.90 -0.21 115.95 122.61 2pav h TRP 86 Ca -0.01 0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.86 2pav h TRP 86 Cb 0.18 -0.18 -0.03 0.00 -0.86 0.00 0.00 29.16 28.27 2pav h TRP 86 CO -0.04 0.34 0.28 1.25 -1.05 0.00 0.00 178.44 179.22 2pav h HIS 87 N 0.57 0.53 -0.74 0.49 2.76 -0.83 -1.32 115.15 116.61 2pav h HIS 87 Ca 0.15 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.36 2pav h HIS 87 Cb -0.07 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 2pav h HIS 87 CO -0.05 0.32 0.48 1.25 -1.30 0.00 0.00 177.93 178.63 2pav h HIS 88 N 0.57 0.90 -0.05 5.26 -0.00 -0.90 -0.62 115.15 120.32 2pav h HIS 88 Ca 0.18 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.57 2pav h HIS 88 Cb -0.01 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.10 2pav h HIS 88 CO -0.06 0.54 0.03 1.15 -0.00 0.00 0.00 177.93 179.59 2pav h THR 89 N 0.95 1.04 0.24 6.26 2.02 -0.46 0.11 112.91 123.07 2pav h THR 89 Ca 0.29 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2pav h THR 89 Cb -0.04 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2pav h THR 89 CO -0.09 0.03 -0.11 -0.26 0.37 0.00 0.00 175.52 175.46 2pav h PHE 90 N 0.04 -0.29 0.20 3.16 0.04 -1.04 -0.40 116.94 118.64 2pav h PHE 90 Ca 0.02 -0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.47 2pav h PHE 90 Cb 0.03 0.10 0.03 0.00 2.20 0.00 0.00 35.95 38.30 2pav h PHE 90 CO -0.06 0.05 -1.37 1.88 -0.60 0.00 0.00 178.31 178.20 2pav h TYR 91 N -0.69 0.84 0.01 -0.55 0.05 -1.12 0.15 116.97 115.65 2pav h TYR 91 Ca -0.03 -0.60 -0.40 0.00 0.05 0.00 0.00 58.73 57.75 2pav h TYR 91 Cb 0.48 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.12 2pav h TYR 91 CO 0.03 1.46 -2.42 0.09 -1.05 0.00 0.00 178.16 176.27 2pav n ASN 92 N -3.67 1.99 -0.06 3.88 5.03 0.30 -3.81 115.26 118.91 2pav n ASN 92 Ca -0.14 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.11 2pav n ASN 92 Cb 1.06 -0.55 -0.13 0.00 -1.02 0.00 0.00 39.78 39.15 2pav n ASN 92 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2pav h GLU 93 N -0.22 0.09 0.00 3.52 4.39 -1.25 -3.39 114.58 117.72 2pav h GLU 93 Ca -0.59 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 58.80 2pav h GLU 93 Cb 1.84 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 30.52 2pav h GLU 93 CO -0.14 1.07 -1.60 1.28 -1.16 0.00 0.00 179.01 178.45 2pav n LEU 94 N -4.27 0.64 -2.97 1.33 4.77 -0.16 -4.92 117.00 111.42 2pav n LEU 94 Ca -0.26 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2pav n LEU 94 Cb 0.73 0.12 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 2pav n LEU 94 CO 0.30 0.16 0.09 0.54 -1.33 0.00 0.00 177.39 177.15 2pav n ARG 95 N -2.79 -5.40 -4.32 3.23 1.74 0.28 -5.00 116.66 104.39 2pav n ARG 95 Ca -0.12 0.69 -0.19 0.00 -0.77 0.00 0.00 57.85 57.46 2pav n ARG 95 Cb 0.84 -5.23 -0.10 0.00 -1.02 0.00 0.00 32.46 26.95 2pav n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2pav s VAL 96 N -3.29 1.66 -0.32 1.55 -7.23 0.12 -5.00 120.40 107.90 2pav s VAL 96 Ca 0.02 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 2pav s VAL 96 Cb -0.01 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 2pav s VAL 96 CO 0.59 -0.54 0.36 0.00 -0.31 0.00 0.00 175.10 175.19 2pav s ALA 97 N -2.77 3.51 0.57 1.32 0.00 -1.26 -4.12 121.76 119.02 2pav s ALA 97 Ca 0.20 -1.10 0.31 0.00 0.00 0.00 0.00 51.96 51.36 2pav s ALA 97 Cb -0.02 -2.77 1.83 0.00 0.00 0.00 0.00 23.12 22.16 2pav s ALA 97 CO 0.06 -0.93 2.24 -1.00 0.00 0.00 0.00 175.76 176.13 2pav h PRO 98 N 8.39 0.00 0.00 0.00 0.13 -1.93 -0.62 132.00 137.97 2pav h PRO 98 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2pav h PRO 98 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2pav h PRO 98 CO 0.67 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 2pav n GLU 99 N -3.76 0.13 0.00 0.86 0.00 -1.24 -1.83 120.64 114.79 2pav n GLU 99 Ca -0.03 0.47 0.12 0.00 0.00 0.00 0.00 57.16 57.72 2pav n GLU 99 Cb 0.10 -1.80 0.18 0.00 0.00 0.00 0.00 31.44 29.91 2pav n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pav n GLU 100 N -2.06 0.23 -3.98 3.44 1.02 -0.24 -4.24 120.64 114.81 2pav n GLU 100 Ca 0.01 -0.16 -0.24 0.00 -0.02 0.00 0.00 57.16 56.76 2pav n GLU 100 Cb 0.14 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.89 2pav n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2pav s HIS 101 N -2.87 1.02 0.38 -0.32 3.76 -0.76 -4.81 115.29 111.69 2pav s HIS 101 Ca 0.13 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.38 2pav s HIS 101 Cb 0.18 -0.93 -0.11 0.00 1.11 0.00 0.00 32.58 32.83 2pav s HIS 101 CO 0.70 -0.35 1.34 -2.30 -0.85 0.00 0.00 174.74 173.28 2pav n PRO 102 N 4.70 2.20 -3.97 8.40 -0.02 -1.26 -4.39 135.00 140.66 2pav n PRO 102 Ca -0.14 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 2pav n PRO 102 Cb 0.50 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 2pav n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pav s THR 103 N -1.14 1.40 -0.24 3.45 2.01 -0.60 -0.71 115.64 119.80 2pav s THR 103 Ca 0.57 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 2pav s THR 103 Cb -0.52 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2pav s THR 103 CO 0.61 0.31 0.52 -0.22 -0.69 0.00 0.00 174.62 175.15 2pav s LEU 104 N 1.54 4.08 0.26 4.42 2.96 0.28 -2.10 118.68 130.12 2pav s LEU 104 Ca 0.03 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 2pav s LEU 104 Cb -0.14 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 2pav s LEU 104 CO -0.09 -0.25 0.20 -0.76 -1.32 0.00 0.00 176.35 174.13 2pav s LEU 105 N 2.08 3.79 0.26 -0.68 1.43 -0.03 -0.75 118.68 124.78 2pav s LEU 105 Ca 0.22 -0.28 0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2pav s LEU 105 Cb -0.16 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 2pav s LEU 105 CO 0.09 -0.07 -0.09 0.42 0.23 0.00 0.00 176.35 176.93 2pav s THR 106 N -2.15 3.03 0.06 5.49 -4.23 -1.03 -1.03 115.64 115.77 2pav s THR 106 Ca 0.34 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.72 2pav s THR 106 Cb -0.08 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 2pav s THR 106 CO 0.25 -0.36 0.02 -1.83 -0.54 0.00 0.00 174.62 172.16 2pav s GLU 107 N -3.53 0.65 0.56 3.99 -1.05 -0.19 -4.65 118.70 114.49 2pav s GLU 107 Ca 0.30 -1.13 -0.19 0.00 -0.15 0.00 0.00 54.97 53.80 2pav s GLU 107 Cb -0.06 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.82 2pav s GLU 107 CO 0.17 -0.14 1.14 0.00 0.95 0.00 0.00 175.26 177.38 2pav s ALA 108 N -3.80 2.65 0.26 -0.84 0.00 -1.26 -1.42 121.76 117.35 2pav s ALA 108 Ca 0.06 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2pav s ALA 108 Cb 0.07 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2pav s ALA 108 CO -0.10 -0.89 1.22 -2.30 0.00 0.00 0.00 175.76 173.69 2pav n PRO 109 N -1.47 1.66 -1.47 0.00 -0.02 -1.26 -2.06 135.00 130.38 2pav n PRO 109 Ca 0.12 0.59 -0.15 0.00 -2.02 0.00 0.00 63.50 62.04 2pav n PRO 109 Cb 0.51 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 2pav n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2pav n LEU 110 N 1.61 -1.11 -4.66 2.45 4.77 -1.26 -4.95 117.00 113.85 2pav n LEU 110 Ca 0.11 0.35 -0.49 0.00 -0.03 0.00 0.00 56.01 55.95 2pav n LEU 110 Cb 0.31 -2.20 -0.05 0.00 -2.33 0.00 0.00 43.42 39.15 2pav n LEU 110 CO 0.61 -0.76 1.23 -3.20 -1.33 0.00 0.00 177.39 173.94 2pav n ASN 111 N -0.43 2.81 -4.70 -1.43 5.15 -0.87 -4.89 115.26 110.90 2pav n ASN 111 Ca -0.15 1.06 -0.40 0.00 -0.60 0.00 0.00 54.58 54.49 2pav n ASN 111 Cb 0.50 -1.33 0.03 0.00 -0.53 0.00 0.00 39.78 38.45 2pav n ASN 111 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2pav n PRO 112 N 4.31 1.64 -0.26 1.20 -0.02 -1.26 -4.81 135.00 135.80 2pav n PRO 112 Ca 0.20 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2pav n PRO 112 Cb 0.25 -2.39 0.12 0.00 -0.02 0.00 0.00 33.50 31.46 2pav n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2pav h LYS 113 N 1.57 0.04 -0.19 -0.52 1.57 -2.01 -1.80 116.57 115.24 2pav h LYS 113 Ca -0.49 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 2pav h LYS 113 Cb 1.31 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2pav h LYS 113 CO 0.57 0.03 -0.04 0.00 -0.57 0.00 0.00 179.45 179.44 2pav h ALA 114 N 1.74 1.60 -0.13 3.86 0.00 -2.00 -1.93 119.26 122.40 2pav h ALA 114 Ca 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2pav h ALA 114 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pav h ALA 114 CO -0.73 0.30 -0.06 -0.97 0.00 0.00 0.00 179.25 177.78 2pav h ASN 115 N 0.27 0.29 0.35 0.00 -0.73 -1.69 -2.09 115.58 111.98 2pav h ASN 115 Ca 0.06 -0.41 -0.11 0.00 1.87 0.00 0.00 56.30 57.71 2pav h ASN 115 Cb 0.25 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2pav h ASN 115 CO 0.01 0.63 -0.46 0.08 -0.37 0.00 0.00 177.43 177.32 2pav h ARG 116 N -0.06 0.14 -0.59 6.67 0.11 -1.17 -1.43 114.38 118.04 2pav h ARG 116 Ca 0.03 -0.07 0.02 0.00 0.10 0.00 0.00 59.98 60.06 2pav h ARG 116 Cb 0.52 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.57 2pav h ARG 116 CO 0.02 0.57 0.37 0.93 0.10 0.00 0.00 179.97 181.97 2pav h GLU 117 N 0.11 0.73 -0.60 0.08 5.08 -1.31 -2.18 114.58 116.49 2pav h GLU 117 Ca 0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2pav h GLU 117 Cb 0.86 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2pav h GLU 117 CO 0.07 0.48 -0.01 0.87 -1.00 0.00 0.00 179.01 179.41 2pav h LYS 118 N 0.75 1.06 -0.68 2.33 1.57 -0.77 -0.35 116.57 120.48 2pav h LYS 118 Ca 0.23 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2pav h LYS 118 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 2pav h LYS 118 CO -0.08 1.04 0.35 1.98 -0.57 0.00 0.00 179.45 182.17 2pav h MET 119 N 0.96 0.95 -0.16 3.15 4.05 -1.19 -0.43 114.93 122.26 2pav h MET 119 Ca 0.17 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 2pav h MET 119 Cb 0.57 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2pav h MET 119 CO 0.03 0.73 0.07 1.15 0.23 0.00 0.00 176.91 179.13 2pav h THR 120 N 0.93 1.14 -0.36 -0.77 2.02 -1.01 -1.74 112.91 113.12 2pav h THR 120 Ca 0.24 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 67.01 2pav h THR 120 Cb 0.07 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2pav h THR 120 CO -0.03 0.13 0.23 -0.61 0.37 0.00 0.00 175.52 175.61 2pav h GLN 121 N 0.12 0.45 -0.54 6.66 4.15 -0.84 -1.90 115.11 123.21 2pav h GLN 121 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 2pav h GLN 121 Cb 0.15 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2pav h GLN 121 CO -0.01 0.30 0.29 0.82 -1.93 0.00 0.00 178.83 178.30 2pav h ILE 122 N 0.47 1.19 -0.31 2.39 2.04 -1.00 0.20 117.51 122.49 2pav h ILE 122 Ca 0.14 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2pav h ILE 122 Cb -0.03 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2pav h ILE 122 CO -0.05 0.20 0.20 0.24 0.00 0.00 0.00 178.15 178.74 2pav h MET 123 N 0.73 0.39 0.06 2.37 2.86 -1.06 0.66 114.93 120.93 2pav h MET 123 Ca 0.19 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 2pav h MET 123 Cb 0.06 -0.09 0.02 0.00 0.06 0.00 0.00 31.60 31.65 2pav h MET 123 CO -0.03 0.26 -0.71 0.74 1.06 0.00 0.00 176.91 178.23 2pav h PHE 124 N 0.40 0.60 0.22 -0.22 0.04 -1.24 -1.25 116.94 115.48 2pav h PHE 124 Ca 0.11 -0.37 -0.31 0.00 2.80 0.00 0.00 57.97 60.20 2pav h PHE 124 Cb -0.03 -0.05 0.03 0.00 2.20 0.00 0.00 35.95 38.09 2pav h PHE 124 CO -0.06 1.22 -1.43 0.93 -0.60 0.00 0.00 178.31 178.37 2pav h GLU 125 N -0.20 0.46 0.02 1.51 5.08 -0.59 -2.83 114.58 118.04 2pav h GLU 125 Ca -0.11 -0.78 -0.23 0.00 -1.00 0.00 0.00 59.36 57.24 2pav h GLU 125 Cb 1.46 0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.98 2pav h GLU 125 CO 0.14 1.38 -1.24 1.15 -1.00 0.00 0.00 179.01 179.43 2pav h THR 126 N 0.03 0.97 0.00 1.13 2.02 -1.02 -3.40 112.91 112.64 2pav h THR 126 Ca -0.26 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.69 2pav h THR 126 Cb 2.05 2.40 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 2pav h THR 126 CO 0.22 0.44 -0.82 0.49 0.37 0.00 0.00 175.52 176.22 2pav n PHE 127 N -4.30 0.13 -3.79 3.16 3.72 -0.76 -4.97 117.46 110.66 2pav n PHE 127 Ca -0.29 0.04 -0.28 0.00 -0.05 0.00 0.00 57.45 56.86 2pav n PHE 127 Cb 0.73 -0.29 0.04 0.00 -0.94 0.00 0.00 39.48 39.02 2pav n PHE 127 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2pav n ASN 128 N -1.72 -5.41 -4.75 4.37 5.15 -0.53 -3.63 115.26 108.73 2pav n ASN 128 Ca 0.04 -0.68 -0.36 0.00 -0.60 0.00 0.00 54.58 52.97 2pav n ASN 128 Cb 0.38 -4.29 0.04 0.00 -0.53 0.00 0.00 39.78 35.38 2pav n ASN 128 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2pav s VAL 129 N -3.30 2.64 -0.23 3.44 -7.23 -0.84 -4.16 120.40 110.72 2pav s VAL 129 Ca 0.64 0.39 0.24 0.00 -1.81 0.00 0.00 61.98 61.43 2pav s VAL 129 Cb -0.31 -3.13 0.29 0.00 0.56 0.00 0.00 36.38 33.79 2pav s VAL 129 CO 0.78 -0.09 1.67 1.55 -0.31 0.00 0.00 175.10 178.71 2pav h PRO 130 N 0.81 0.00 -2.05 4.82 0.13 -1.77 -3.44 132.00 130.50 2pav h PRO 130 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2pav h PRO 130 Cb 1.30 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.24 2pav h PRO 130 CO 0.55 0.11 0.42 0.00 -0.23 0.00 0.00 178.00 178.85 2pav s ALA 131 N -3.30 -1.83 0.17 -0.56 0.00 -1.26 -1.93 121.76 113.05 2pav s ALA 131 Ca 0.05 1.22 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 2pav s ALA 131 Cb 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.20 2pav s ALA 131 CO 0.66 -0.50 0.43 0.00 0.00 0.00 0.00 175.76 176.35 2pav s MET 132 N -2.10 1.25 -0.02 0.00 0.23 -0.45 -1.56 119.30 116.66 2pav s MET 132 Ca -0.01 -0.91 -0.14 0.00 -1.03 0.00 0.00 55.69 53.60 2pav s MET 132 Cb -0.01 0.47 0.02 0.00 -1.53 0.00 0.00 34.83 33.79 2pav s MET 132 CO -0.02 -0.51 0.29 -0.47 -2.03 0.00 0.00 175.02 172.29 2pav s TYR 133 N -3.88 -0.17 -0.22 3.16 5.04 -0.89 -0.46 117.35 119.92 2pav s TYR 133 Ca 0.10 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 2pav s TYR 133 Cb 0.01 0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.43 2pav s TYR 133 CO -0.04 -0.36 -0.13 0.08 -1.34 0.00 0.00 175.55 173.76 2pav s VAL 134 N -1.22 2.41 0.01 3.14 1.01 -1.26 -0.85 120.40 123.63 2pav s VAL 134 Ca -0.13 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.79 2pav s VAL 134 Cb -0.05 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2pav s VAL 134 CO 0.04 0.30 -0.05 0.00 0.00 0.00 0.00 175.10 175.39 2pav s ALA 135 N 1.27 3.08 0.16 5.51 0.00 -0.20 -4.70 121.76 126.88 2pav s ALA 135 Ca 0.00 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2pav s ALA 135 Cb -0.16 -1.17 -0.10 0.00 0.00 0.00 0.00 23.12 21.69 2pav s ALA 135 CO -0.08 0.62 1.52 0.42 0.00 0.00 0.00 175.76 178.24 2pav s ILE 136 N -1.03 2.77 0.11 0.00 1.01 -1.26 -1.02 121.20 121.79 2pav s ILE 136 Ca 0.18 0.56 -0.23 0.00 0.00 0.00 0.00 60.65 61.16 2pav s ILE 136 Cb -0.11 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 2pav s ILE 136 CO 0.08 0.05 1.69 1.56 0.00 0.00 0.00 174.94 178.32 2pav h GLN 137 N 6.64 -0.18 -0.65 2.79 4.20 -1.57 -1.52 115.11 124.82 2pav h GLN 137 Ca -0.43 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.39 2pav h GLN 137 Cb 1.21 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.99 2pav h GLN 137 CO 0.89 -0.12 0.43 0.00 -0.67 0.00 0.00 178.83 179.36 2pav h ALA 138 N 0.79 1.93 -0.51 3.87 0.00 -1.91 -1.74 119.26 121.69 2pav h ALA 138 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2pav h ALA 138 Cb 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2pav h ALA 138 CO -0.13 -0.07 0.27 0.28 0.00 0.00 0.00 179.25 179.60 2pav h VAL 139 N 0.50 1.18 -0.94 0.00 2.07 -1.67 -1.99 116.25 115.40 2pav h VAL 139 Ca 0.30 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2pav h VAL 139 Cb 0.49 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 2pav h VAL 139 CO -0.09 0.19 0.56 -0.07 0.02 0.00 0.00 177.57 178.18 2pav h LEU 140 N 0.67 1.14 -1.21 2.57 3.38 -1.06 -2.04 115.31 118.77 2pav h LEU 140 Ca 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2pav h LEU 140 Cb 0.06 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2pav h LEU 140 CO -0.03 0.88 0.44 0.28 0.09 0.00 0.00 178.44 180.11 2pav h SER 141 N 1.31 0.86 -0.41 -0.43 0.02 -0.98 -1.44 113.55 112.48 2pav h SER 141 Ca 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2pav h SER 141 Cb -0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2pav h SER 141 CO -0.06 0.66 0.22 0.25 -1.14 0.00 0.00 176.83 176.75 2pav h LEU 142 N 1.00 0.51 -1.12 5.07 5.85 -0.69 -2.40 115.31 123.54 2pav h LEU 142 Ca 0.26 -0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2pav h LEU 142 Cb -0.05 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 2pav h LEU 142 CO -0.05 0.47 0.61 1.88 -0.34 0.00 0.00 178.44 181.00 2pav h TYR 143 N 0.52 1.03 -0.07 1.25 -1.99 -0.82 -1.55 116.97 115.35 2pav h TYR 143 Ca 0.14 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 2pav h TYR 143 Cb 0.07 -0.33 -0.00 0.00 2.00 0.00 0.00 36.73 38.47 2pav h TYR 143 CO -0.02 0.42 -0.02 0.00 -0.00 0.00 0.00 178.16 178.54 2pav h ALA 144 N 1.55 1.85 -0.39 3.88 0.00 -0.79 -0.66 119.26 124.70 2pav h ALA 144 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2pav h ALA 144 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pav h ALA 144 CO -0.23 0.12 0.00 0.43 0.00 0.00 0.00 179.25 179.57 2pav n SER 145 N -4.46 2.77 -1.76 0.00 7.64 -0.61 -4.92 113.62 112.28 2pav n SER 145 Ca -0.02 -2.18 -0.13 0.00 1.01 0.00 0.00 58.87 57.54 2pav n SER 145 Cb 0.14 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.95 2pav n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pav n GLY 146 N 0.89 -0.10 3.20 0.23 0.00 -0.25 -5.03 105.19 104.12 2pav n GLY 146 Ca 0.15 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2pav n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pav s ARG 147 N -5.01 0.91 0.00 1.61 0.52 -1.06 -5.04 118.95 110.89 2pav s ARG 147 Ca 0.11 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 2pav s ARG 147 Cb -0.05 -0.45 0.00 0.00 0.52 0.00 0.00 34.95 34.97 2pav s ARG 147 CO 0.14 0.04 0.24 0.25 0.02 0.00 0.00 175.30 175.99 2pav n THR 148 N 0.11 0.00 -4.78 0.02 -2.24 -1.26 -3.43 114.28 102.70 2pav n THR 148 Ca -0.13 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 2pav n THR 148 Cb 0.60 1.17 -0.17 0.00 -2.10 0.00 0.00 70.33 69.83 2pav n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pav s THR 149 N -0.26 1.43 -2.62 4.28 2.01 -1.26 -0.31 115.64 118.91 2pav s THR 149 Ca 0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 2pav s THR 149 Cb 0.00 -1.27 0.00 0.00 0.01 0.00 0.00 72.50 71.24 2pav s THR 149 CO 0.00 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 2pav n GLY 150 N 3.73 -2.00 3.09 4.40 0.00 -0.75 -4.88 105.19 108.77 2pav n GLY 150 Ca -0.22 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 2pav n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pav s ILE 151 N -2.09 1.56 -0.16 -0.61 2.07 -0.25 -1.00 121.20 120.73 2pav s ILE 151 Ca 0.00 -0.70 -0.08 0.00 -1.41 0.00 0.00 60.65 58.46 2pav s ILE 151 Cb 0.00 -1.41 -0.04 0.00 0.13 0.00 0.00 42.46 41.14 2pav s ILE 151 CO 0.00 0.45 0.11 -0.69 -1.91 0.00 0.00 174.94 172.90 2pav s VAL 152 N 0.79 5.22 -0.37 4.00 1.01 0.04 -0.81 120.40 130.28 2pav s VAL 152 Ca -0.11 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2pav s VAL 152 Cb -0.16 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2pav s VAL 152 CO 0.01 0.53 0.24 -0.22 0.00 0.00 0.00 175.10 175.66 2pav s LEU 153 N -0.28 4.74 -0.19 3.92 2.96 -0.35 -0.40 118.68 129.08 2pav s LEU 153 Ca 0.10 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.19 2pav s LEU 153 Cb -0.12 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.49 2pav s LEU 153 CO 0.01 -0.36 -0.10 -0.62 -1.32 0.00 0.00 176.35 173.96 2pav s ASP 154 N 1.63 3.93 -0.12 3.68 3.68 -0.40 -0.34 116.67 128.74 2pav s ASP 154 Ca 0.04 -0.45 -0.03 0.00 2.13 0.00 0.00 52.55 54.24 2pav s ASP 154 Cb -0.19 -1.65 0.04 0.00 -1.45 0.00 0.00 42.92 39.68 2pav s ASP 154 CO 0.08 0.02 0.05 -0.55 0.13 0.00 0.00 175.17 174.91 2pav s SER 155 N 1.21 1.93 0.00 -0.34 0.15 -0.26 -0.93 113.70 115.46 2pav s SER 155 Ca 0.02 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2pav s SER 155 Cb -0.14 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2pav s SER 155 CO -0.04 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2pav n GLY 156 N 5.22 1.91 0.08 9.45 0.00 -0.97 -1.63 105.19 119.25 2pav n GLY 156 Ca -0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 2pav n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pav n ASP 157 N 0.00 0.37 0.00 1.61 2.03 -1.26 -0.86 116.55 118.45 2pav n ASP 157 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2pav n ASP 157 Cb 0.00 0.70 0.00 0.00 -0.72 0.00 0.00 41.12 41.10 2pav n ASP 157 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pav n GLY 158 N 1.58 0.00 3.34 0.27 0.00 -1.26 -1.00 105.19 108.12 2pav n GLY 158 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 2pav n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pav s VAL 159 N -1.95 0.05 -0.02 1.61 0.11 -1.26 -4.43 120.40 114.51 2pav s VAL 159 Ca 0.00 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 58.69 2pav s VAL 159 Cb 0.00 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 2pav s VAL 159 CO 0.00 -0.22 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.51 2pav s THR 160 N -2.44 1.16 0.05 5.04 2.01 -0.66 -2.29 115.64 118.52 2pav s THR 160 Ca -0.05 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2pav s THR 160 Cb -0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2pav s THR 160 CO -0.02 0.33 -0.09 -1.00 -0.69 0.00 0.00 174.62 173.15 2pav s HIS 161 N -0.25 0.83 -0.24 4.92 3.76 -0.10 -0.29 115.29 123.91 2pav s HIS 161 Ca 0.04 -0.51 -0.08 0.00 -0.15 0.00 0.00 55.06 54.36 2pav s HIS 161 Cb -0.07 -0.49 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 2pav s HIS 161 CO -0.00 -0.05 0.08 -0.80 -0.85 0.00 0.00 174.74 173.12 2pav s ASN 162 N -1.71 5.33 -0.24 1.40 -0.87 -0.42 -1.27 114.94 117.16 2pav s ASN 162 Ca -0.07 -0.13 0.00 0.00 -1.57 0.00 0.00 52.86 51.10 2pav s ASN 162 Cb -0.09 -1.95 0.06 0.00 -0.02 0.00 0.00 41.25 39.25 2pav s ASN 162 CO 0.01 0.00 -0.02 -0.69 -2.57 0.00 0.00 177.10 173.83 2pav s VAL 163 N 1.39 1.32 0.12 1.60 1.01 0.47 -1.82 120.40 124.49 2pav s VAL 163 Ca 0.05 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 2pav s VAL 163 Cb -0.15 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 2pav s VAL 163 CO 0.04 -0.18 0.66 -2.16 0.00 0.00 0.00 175.10 173.46 2pav s PRO 164 N 1.48 4.35 -0.03 2.72 0.04 -1.26 -0.78 135.00 141.52 2pav s PRO 164 Ca -0.03 0.91 0.01 0.00 0.04 0.00 0.00 61.00 61.92 2pav s PRO 164 Cb -0.18 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.14 2pav s PRO 164 CO -0.08 0.60 -0.01 0.42 0.04 0.00 0.00 177.00 177.97 2pav s ILE 165 N -1.14 0.23 -0.20 0.56 1.01 -0.17 -1.44 121.20 120.05 2pav s ILE 165 Ca 0.32 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.00 2pav s ILE 165 Cb -0.21 -0.29 0.04 0.00 0.01 0.00 0.00 42.46 42.01 2pav s ILE 165 CO 0.22 0.14 -0.13 -0.47 0.00 0.00 0.00 174.94 174.70 2pav s TYR 166 N 0.77 2.66 -1.58 3.97 5.04 -0.17 -1.81 117.35 126.22 2pav s TYR 166 Ca -0.08 -1.72 -0.14 0.00 -2.44 0.00 0.00 57.07 52.69 2pav s TYR 166 Cb -0.11 -1.76 0.10 0.00 0.35 0.00 0.00 41.96 40.54 2pav s TYR 166 CO -0.01 -0.78 0.86 0.39 -1.34 0.00 0.00 175.55 174.67 2pav n GLU 167 N 4.62 -4.47 -0.82 4.97 -0.58 -0.74 -1.01 120.64 122.62 2pav n GLU 167 Ca -0.16 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.08 2pav n GLU 167 Cb 0.47 -5.26 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 2pav n GLU 167 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pav n GLY 168 N -1.60 0.84 3.47 0.62 0.00 0.58 -5.00 105.19 104.10 2pav n GLY 168 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2pav n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pav s TYR 169 N -3.30 3.18 0.59 1.61 2.02 -0.18 -5.03 117.35 116.23 2pav s TYR 169 Ca 0.00 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.06 2pav s TYR 169 Cb 0.00 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 2pav s TYR 169 CO 0.00 -0.40 1.30 0.00 -1.57 0.00 0.00 175.55 174.88 2pav s ALA 170 N 1.64 2.62 -0.73 3.71 0.00 -1.26 -1.00 121.76 126.74 2pav s ALA 170 Ca 0.05 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 2pav s ALA 170 Cb -0.17 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 19.60 2pav s ALA 170 CO 0.07 -1.39 0.59 -0.51 0.00 0.00 0.00 175.76 174.52 2pav s LEU 171 N -3.89 5.63 0.48 0.00 1.43 -0.52 -4.89 118.68 116.92 2pav s LEU 171 Ca 0.76 -3.01 0.16 0.00 -1.03 0.00 0.00 54.13 51.01 2pav s LEU 171 Cb -0.37 -1.94 1.16 0.00 0.03 0.00 0.00 46.19 45.06 2pav s LEU 171 CO 0.42 -0.37 2.06 1.55 0.23 0.00 0.00 176.35 180.24 2pav h PRO 172 N 6.97 0.00 0.00 1.29 0.13 -1.93 -1.02 132.00 137.43 2pav h PRO 172 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2pav h PRO 172 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2pav h PRO 172 CO 0.75 0.11 0.11 1.12 -0.23 0.00 0.00 178.00 179.86 2pav h HIS 173 N 0.00 0.00 -0.00 1.56 2.07 -1.97 -2.62 115.15 114.18 2pav h HIS 173 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2pav h HIS 173 Cb 0.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 2pav h HIS 173 CO 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 177.93 174.79 2pav n ALA 174 N -2.00 2.53 -2.02 6.11 0.00 -0.40 -5.01 120.51 119.73 2pav n ALA 174 Ca -0.03 -0.42 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 2pav n ALA 174 Cb 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 2pav n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2pav s ILE 175 N -0.75 3.61 -0.00 0.00 1.01 -0.99 -4.51 121.20 119.57 2pav s ILE 175 Ca 0.05 1.40 0.04 0.00 0.00 0.00 0.00 60.65 62.14 2pav s ILE 175 Cb 0.04 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2pav s ILE 175 CO 0.11 0.24 -0.10 -0.04 0.00 0.00 0.00 174.94 175.14 2pav s MET 176 N -0.43 2.46 -0.05 2.79 -1.94 -0.75 -4.98 119.30 116.39 2pav s MET 176 Ca 0.51 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.79 2pav s MET 176 Cb -0.32 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.09 2pav s MET 176 CO 0.37 0.60 -0.24 0.50 -0.01 0.00 0.00 175.02 176.24 2pav s ARG 177 N -1.25 2.37 -0.18 2.03 3.52 -1.26 -1.30 118.95 122.87 2pav s ARG 177 Ca 0.15 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2pav s ARG 177 Cb -0.11 -2.06 0.02 0.00 -1.56 0.00 0.00 34.95 31.24 2pav s ARG 177 CO 0.05 0.39 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.58 2pav s LEU 178 N -0.22 2.19 -0.95 -0.88 2.96 0.60 -5.00 118.68 117.38 2pav s LEU 178 Ca -0.01 -0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 53.18 2pav s LEU 178 Cb -0.13 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2pav s LEU 178 CO 0.03 -0.01 2.86 0.47 -1.32 0.00 0.00 176.35 178.38 2pav n ASP 179 N 4.62 7.35 -3.73 3.68 9.92 -1.26 -1.66 116.55 135.48 2pav n ASP 179 Ca -0.21 -2.88 -0.13 0.00 -0.53 0.00 0.00 54.79 51.04 2pav n ASP 179 Cb 0.50 -1.39 -0.10 0.00 -0.64 0.00 0.00 41.12 39.49 2pav n ASP 179 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2pav s LEU 180 N -1.15 0.42 0.00 0.64 0.05 -1.26 -5.01 118.68 112.37 2pav s LEU 180 Ca 0.62 0.78 0.00 0.00 0.05 0.00 0.00 54.13 55.57 2pav s LEU 180 Cb 0.25 1.44 0.00 0.00 -2.05 0.00 0.00 46.19 45.83 2pav s LEU 180 CO -0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 176.35 175.52 2pav n ALA 181 N 2.69 0.00 -0.22 1.48 0.00 -1.26 -3.89 120.51 119.31 2pav n ALA 181 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 2pav n ALA 181 Cb 0.57 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.15 2pav n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2pav h GLY 182 N 0.00 1.11 1.07 0.00 0.00 -0.84 -1.46 103.07 102.96 2pav h GLY 182 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 2pav h GLY 182 CO 0.00 0.58 0.05 -0.09 0.00 0.00 0.00 176.54 177.08 2pav h ARG 183 N 1.01 1.08 -0.81 4.80 1.12 -1.32 -0.11 114.38 120.15 2pav h ARG 183 Ca 0.23 -0.32 -0.03 0.00 -1.11 0.00 0.00 59.98 58.75 2pav h ARG 183 Cb 0.24 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.05 2pav h ARG 183 CO -0.01 1.02 0.38 -0.44 -3.11 0.00 0.00 179.97 177.81 2pav h ASP 184 N 0.99 1.07 -0.53 -3.80 5.19 -1.60 -1.35 116.42 116.38 2pav h ASP 184 Ca 0.18 -0.14 -0.09 0.00 -0.62 0.00 0.00 57.03 56.36 2pav h ASP 184 Cb 0.50 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 2pav h ASP 184 CO 0.02 0.91 -0.04 -0.07 -3.12 0.00 0.00 179.24 176.94 2pav h LEU 185 N 1.15 0.94 -0.17 1.55 3.38 -0.87 -0.26 115.31 121.04 2pav h LEU 185 Ca 0.28 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pav h LEU 185 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2pav h LEU 185 CO -0.03 1.04 -0.01 0.74 0.09 0.00 0.00 178.44 180.26 2pav h THR 186 N 0.82 0.87 -0.91 0.22 2.02 -0.69 -0.18 112.91 115.06 2pav h THR 186 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2pav h THR 186 Cb 0.58 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2pav h THR 186 CO 0.03 0.01 0.59 0.44 0.37 0.00 0.00 175.52 176.96 2pav h ASP 187 N 0.04 1.07 -0.41 4.18 3.32 -1.10 -0.39 116.42 123.13 2pav h ASP 187 Ca 0.08 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2pav h ASP 187 Cb 0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2pav h ASP 187 CO -0.14 0.79 -0.22 0.22 -1.72 0.00 0.00 179.24 178.16 2pav h TYR 188 N 1.25 1.01 -0.86 4.55 3.20 -0.75 -0.96 116.97 124.41 2pav h TYR 188 Ca 0.33 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2pav h TYR 188 Cb -0.11 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 37.89 2pav h TYR 188 CO 0.00 1.04 0.45 1.25 -1.64 0.00 0.00 178.16 179.27 2pav h LEU 189 N 0.69 1.08 -0.42 2.82 5.85 -0.75 -0.93 115.31 123.64 2pav h LEU 189 Ca 0.09 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2pav h LEU 189 Cb 0.79 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2pav h LEU 189 CO 0.06 0.88 0.15 -0.03 -0.34 0.00 0.00 178.44 179.17 2pav h MET 190 N 1.20 0.31 -0.03 1.25 4.05 -0.85 0.24 114.93 121.10 2pav h MET 190 Ca 0.30 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.72 2pav h MET 190 Cb 0.05 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 2pav h MET 190 CO -0.05 0.21 -0.05 -0.22 0.23 0.00 0.00 176.91 177.03 2pav h LYS 191 N 0.32 -0.07 -0.05 0.39 3.64 -0.53 -1.37 116.57 118.90 2pav h LYS 191 Ca 0.20 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 2pav h LYS 191 Cb 0.18 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2pav h LYS 191 CO -0.19 -0.05 -0.75 -0.84 -2.27 0.00 0.00 179.45 175.35 2pav h ILE 192 N -0.08 1.42 -0.37 2.00 3.07 -1.05 -0.65 117.51 121.85 2pav h ILE 192 Ca 0.03 -2.25 -0.04 0.00 1.55 0.00 0.00 64.86 64.15 2pav h ILE 192 Cb 0.12 2.20 -0.02 0.00 -0.27 0.00 0.00 36.82 38.85 2pav h ILE 192 CO -0.08 0.67 0.05 -0.07 -1.05 0.00 0.00 178.15 177.67 2pav h LEU 193 N 0.20 0.51 -0.47 0.16 3.38 -0.92 -1.01 115.31 117.17 2pav h LEU 193 Ca -0.03 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2pav h LEU 193 Cb 1.32 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2pav h LEU 193 CO 0.12 0.55 -0.01 0.74 0.09 0.00 0.00 178.44 179.93 2pav h THR 194 N 0.54 1.26 -0.82 0.22 2.02 -1.00 -1.79 112.91 113.34 2pav h THR 194 Ca 0.12 -1.07 0.08 0.00 0.77 0.00 0.00 66.41 66.31 2pav h THR 194 Cb 0.27 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.66 2pav h THR 194 CO 0.00 0.37 0.54 -0.33 0.37 0.00 0.00 175.52 176.47 2pav h GLU 195 N 0.68 0.83 -0.41 6.66 5.08 -0.81 -2.12 114.58 124.48 2pav h GLU 195 Ca 0.13 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2pav h GLU 195 Cb 0.52 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2pav h GLU 195 CO 0.03 0.55 0.11 -0.09 -1.00 0.00 0.00 179.01 178.60 2pav h ARG 196 N 0.85 0.61 0.00 2.33 2.43 -0.76 -3.46 114.38 116.38 2pav h ARG 196 Ca 0.37 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 2pav h ARG 196 Cb 0.32 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2pav h ARG 196 CO -0.14 0.55 0.00 0.41 -1.51 0.00 0.00 179.97 179.28 2pav n GLY 197 N -1.04 -0.40 3.89 2.80 0.00 -0.80 -5.11 105.19 104.54 2pav n GLY 197 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2pav n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pav s TYR 198 N -0.59 3.48 -0.44 1.61 2.02 -0.73 -4.99 117.35 117.71 2pav s TYR 198 Ca 0.00 0.84 -0.12 0.00 -0.37 0.00 0.00 57.07 57.43 2pav s TYR 198 Cb 0.00 -2.28 0.07 0.00 -0.40 0.00 0.00 41.96 39.35 2pav s TYR 198 CO 0.00 0.01 0.31 -1.54 -1.57 0.00 0.00 175.55 172.75 2pav s SER 199 N -3.23 5.84 -0.29 2.29 1.04 -1.26 -3.84 113.70 114.26 2pav s SER 199 Ca 0.48 -1.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.51 2pav s SER 199 Cb -0.10 -2.07 0.09 0.00 0.10 0.00 0.00 66.02 64.04 2pav s SER 199 CO 0.32 -0.57 0.06 -0.36 0.98 0.00 0.00 173.24 173.67 2pav s PHE 200 N 1.52 1.94 0.00 5.02 0.08 -1.26 -4.95 117.98 120.33 2pav s PHE 200 Ca 0.03 -1.76 0.00 0.00 0.12 0.00 0.00 56.93 55.33 2pav s PHE 200 Cb -0.23 -1.73 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2pav s PHE 200 CO 0.04 -0.83 0.00 1.33 -0.10 0.00 0.00 175.22 175.66 2pav n VAL 201 N 4.78 0.00 -1.55 -0.44 0.24 -1.26 -4.82 118.33 115.28 2pav n VAL 201 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 2pav n VAL 201 Cb 0.43 -0.19 0.12 0.00 -1.47 0.00 0.00 33.84 32.74 2pav n VAL 201 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2pav s THR 202 N -1.33 2.33 0.16 3.34 -4.23 -1.26 -4.78 115.64 109.86 2pav s THR 202 Ca 0.00 0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 2pav s THR 202 Cb 0.00 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.02 2pav s THR 202 CO 0.00 -0.14 1.71 0.74 -0.54 0.00 0.00 174.62 176.40 2pav h THR 203 N -1.36 1.21 -0.26 3.99 2.02 -1.99 0.23 112.91 116.74 2pav h THR 203 Ca -0.49 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 65.98 2pav h THR 203 Cb 1.31 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2pav h THR 203 CO 0.61 0.24 -0.12 0.00 0.37 0.00 0.00 175.52 176.63 2pav h ALA 204 N 1.06 1.31 -0.16 6.16 0.00 -2.00 -2.10 119.26 123.54 2pav h ALA 204 Ca 0.17 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.64 2pav h ALA 204 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pav h ALA 204 CO -0.02 0.46 -0.66 0.93 0.00 0.00 0.00 179.25 179.97 2pav h GLU 205 N 0.40 0.61 -0.86 0.00 5.08 -1.79 -2.69 114.58 115.32 2pav h GLU 205 Ca 0.08 -0.44 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2pav h GLU 205 Cb 0.46 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 2pav h GLU 205 CO 0.03 1.06 0.55 -0.09 -1.00 0.00 0.00 179.01 179.55 2pav h ARG 206 N 0.44 1.00 -0.75 2.33 2.43 -0.23 -1.03 114.38 118.57 2pav h ARG 206 Ca -0.02 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2pav h ARG 206 Cb 1.24 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2pav h ARG 206 CO 0.13 0.66 0.42 0.93 -1.51 0.00 0.00 179.97 180.60 2pav h GLU 207 N 1.03 1.04 -0.29 0.20 4.39 -1.22 -0.57 114.58 119.16 2pav h GLU 207 Ca 0.36 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.91 2pav h GLU 207 Cb 0.08 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2pav h GLU 207 CO -0.14 0.75 0.04 0.82 -1.16 0.00 0.00 179.01 179.32 2pav h ILE 208 N 1.05 1.23 -0.73 3.13 2.04 -0.99 -2.32 117.51 120.92 2pav h ILE 208 Ca 0.27 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 2pav h ILE 208 Cb 0.01 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2pav h ILE 208 CO -0.05 0.26 0.34 0.58 0.00 0.00 0.00 178.15 179.29 2pav h VAL 209 N 0.30 1.23 -0.98 1.67 2.07 -0.87 -0.07 116.25 119.61 2pav h VAL 209 Ca 0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2pav h VAL 209 Cb 0.35 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2pav h VAL 209 CO 0.01 0.28 0.62 -0.09 0.02 0.00 0.00 177.57 178.41 2pav h ARG 210 N 1.04 1.30 -0.42 1.57 2.43 -0.97 0.21 114.38 119.54 2pav h ARG 210 Ca 0.25 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2pav h ARG 210 Cb 0.12 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2pav h ARG 210 CO -0.03 0.88 0.06 0.22 -1.51 0.00 0.00 179.97 179.59 2pav h ASP 211 N 1.33 0.68 -0.44 -3.80 3.58 -0.68 -1.74 116.42 115.35 2pav h ASP 211 Ca 0.35 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.56 2pav h ASP 211 Cb -0.11 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 2pav h ASP 211 CO -0.07 0.78 0.24 0.40 -2.88 0.00 0.00 179.24 177.71 2pav h ILE 212 N 0.56 1.00 -0.25 2.25 2.04 -0.42 -2.03 117.51 120.66 2pav h ILE 212 Ca 0.13 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2pav h ILE 212 Cb 0.40 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2pav h ILE 212 CO 0.01 0.09 -0.13 0.50 0.00 0.00 0.00 178.15 178.62 2pav h LYS 213 N 0.48 -0.09 0.00 2.37 3.64 -0.45 0.13 116.57 122.64 2pav h LYS 213 Ca 0.19 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2pav h LYS 213 Cb 0.06 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2pav h LYS 213 CO -0.11 -0.06 -0.18 0.93 -2.27 0.00 0.00 179.45 177.76 2pav h GLU 214 N -0.10 0.00 0.00 1.90 5.08 -1.02 -2.75 114.58 117.70 2pav h GLU 214 Ca 0.13 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.19 2pav h GLU 214 Cb 0.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2pav h GLU 214 CO -0.31 0.18 -2.21 1.63 -1.00 0.00 0.00 179.01 177.30 2pav n LYS 215 N -3.30 1.02 -0.00 2.33 5.02 -0.79 -4.77 118.16 117.67 2pav n LYS 215 Ca 0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2pav n LYS 215 Cb 0.43 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.97 2pav n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pav n LEU 216 N -2.63 0.00 -4.85 -0.35 4.77 0.42 -5.05 117.00 109.31 2pav n LEU 216 Ca -0.27 -0.42 -0.31 0.00 -0.03 0.00 0.00 56.01 54.98 2pav n LEU 216 Cb 1.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 2pav n LEU 216 CO 0.38 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 177.17 2pav s TYR 218 N -3.19 -0.40 -0.23 0.00 -0.85 -0.68 -4.33 117.35 107.66 2pav s TYR 218 Ca 0.58 0.20 -0.12 0.00 -0.52 0.00 0.00 57.07 57.21 2pav s TYR 218 Cb -0.12 0.57 -0.05 0.00 0.38 0.00 0.00 41.96 42.74 2pav s TYR 218 CO 0.54 -0.74 0.21 0.08 -1.52 0.00 0.00 175.55 174.11 2pav s VAL 219 N -3.46 5.33 0.43 -3.49 1.01 0.31 -3.94 120.40 116.59 2pav s VAL 219 Ca 0.04 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2pav s VAL 219 Cb -0.01 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 2pav s VAL 219 CO -0.09 0.32 1.08 0.00 0.00 0.00 0.00 175.10 176.41 2pav s ALA 220 N 1.14 3.02 0.15 5.51 0.00 -1.26 -4.50 121.76 125.82 2pav s ALA 220 Ca 0.10 0.75 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 2pav s ALA 220 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2pav s ALA 220 CO 0.05 -0.35 1.49 -0.07 0.00 0.00 0.00 175.76 176.89 2pav h LEU 221 N 2.23 0.98 -7.19 0.00 3.38 -1.98 -3.41 115.31 109.32 2pav h LEU 221 Ca -0.49 -0.44 -0.53 0.00 0.09 0.00 0.00 57.88 56.51 2pav h LEU 221 Cb 1.22 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 41.30 2pav h LEU 221 CO 0.61 1.23 -0.76 -0.62 0.09 0.00 0.00 178.44 178.99 2pav s ASP 222 N -6.83 3.19 0.07 -0.43 -1.08 -1.26 -4.93 116.67 105.40 2pav s ASP 222 Ca -0.11 -1.03 -0.26 0.00 -0.52 0.00 0.00 52.55 50.63 2pav s ASP 222 Cb 0.11 -0.61 -0.16 0.00 -1.46 0.00 0.00 42.92 40.80 2pav s ASP 222 CO 0.88 -0.34 1.63 0.15 0.52 0.00 0.00 175.17 178.01 2pav h PHE 223 N 8.24 -0.23 -0.84 -5.34 3.57 -1.99 -1.28 116.94 119.06 2pav h PHE 223 Ca -0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.36 2pav h PHE 223 Cb 1.09 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.86 2pav h PHE 223 CO 0.29 -0.09 0.55 0.93 -2.23 0.00 0.00 178.31 177.77 2pav h GLU 224 N -0.32 1.06 -0.64 1.11 4.39 -1.99 -0.35 114.58 117.85 2pav h GLU 224 Ca -0.03 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 2pav h GLU 224 Cb 0.25 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2pav h GLU 224 CO 0.04 0.70 0.18 -0.97 -1.16 0.00 0.00 179.01 177.80 2pav h ASN 225 N 1.09 0.95 -0.51 1.42 -1.24 -1.96 -1.41 115.58 113.92 2pav h ASN 225 Ca 0.32 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 2pav h ASN 225 Cb -0.06 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.72 2pav h ASN 225 CO -0.09 0.92 0.23 -0.08 -1.29 0.00 0.00 177.43 177.11 2pav h GLU 226 N 0.93 0.79 -0.19 6.67 4.57 -0.58 0.30 114.58 127.07 2pav h GLU 226 Ca 0.20 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2pav h GLU 226 Cb 0.33 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2pav h GLU 226 CO -0.00 0.64 0.10 0.52 -1.18 0.00 0.00 179.01 179.09 2pav h MET 227 N 0.78 0.27 -0.66 1.92 2.86 -0.82 0.55 114.93 119.83 2pav h MET 227 Ca 0.19 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2pav h MET 227 Cb 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2pav h MET 227 CO -0.02 0.28 0.25 0.00 1.06 0.00 0.00 176.91 178.48 2pav h ALA 228 N 0.97 1.20 -0.00 6.32 0.00 -0.57 -2.73 119.26 124.45 2pav h ALA 228 Ca 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pav h ALA 228 Cb 0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2pav h ALA 228 CO -0.01 0.58 -0.00 1.15 0.00 0.00 0.00 179.25 180.97 2pav h THR 229 N 0.95 1.27 -0.82 0.00 2.02 -0.17 -2.81 112.91 113.36 2pav h THR 229 Ca 0.22 -0.80 0.19 0.00 0.77 0.00 0.00 66.41 66.78 2pav h THR 229 Cb 0.20 1.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 2pav h THR 229 CO -0.02 0.21 0.55 0.00 0.37 0.00 0.00 175.52 176.63 2pav h ALA 230 N 0.66 2.26 0.00 6.16 0.00 -0.77 0.48 119.26 128.06 2pav h ALA 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pav h ALA 230 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pav h ALA 230 CO 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 178.70 2pav h ALA 231 N 1.63 0.98 0.00 0.00 0.00 -1.35 -3.31 119.26 117.20 2pav h ALA 231 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2pav h ALA 231 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2pav h ALA 231 CO -0.12 0.00 -1.21 -1.13 0.00 0.00 0.00 179.25 176.79 2pav n SER 232 N -2.93 0.81 -3.23 0.00 3.41 0.13 -5.05 113.62 106.76 2pav n SER 232 Ca 0.04 -0.60 -0.05 0.00 -0.26 0.00 0.00 58.87 57.99 2pav n SER 232 Cb 0.51 1.30 0.02 0.00 -0.26 0.00 0.00 64.21 65.78 2pav n SER 232 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pav s SER 233 N -3.22 -0.02 -0.06 4.04 1.04 -1.03 -5.07 113.70 109.38 2pav s SER 233 Ca 0.02 -0.84 0.14 0.00 0.48 0.00 0.00 55.95 55.75 2pav s SER 233 Cb 0.13 0.65 0.43 0.00 0.10 0.00 0.00 66.02 67.33 2pav s SER 233 CO 0.76 -1.27 1.36 -1.54 0.98 0.00 0.00 173.24 173.52 2pav n SER 234 N -1.22 3.46 0.17 7.02 3.41 -1.26 -4.60 113.62 120.60 2pav n SER 234 Ca -0.05 -2.30 0.13 0.00 -0.26 0.00 0.00 58.87 56.38 2pav n SER 234 Cb 0.60 -0.37 0.61 0.00 -0.26 0.00 0.00 64.21 64.79 2pav n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2pav h SER 235 N 2.37 0.00 -0.01 4.04 4.64 -1.94 -2.68 113.55 119.98 2pav h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pav h SER 235 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2pav h SER 235 CO 0.08 0.00 -0.72 0.18 -0.87 0.00 0.00 176.83 175.51 2pav n LEU 236 N -2.38 1.36 -4.77 5.97 4.77 -1.26 -4.96 117.00 115.73 2pav n LEU 236 Ca 0.00 -0.61 -0.40 0.00 -0.03 0.00 0.00 56.01 54.97 2pav n LEU 236 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2pav n LEU 236 CO 0.16 0.29 0.90 -1.61 -1.33 0.00 0.00 177.39 175.79 2pav s GLU 237 N -2.63 4.26 0.05 3.23 2.02 -1.01 -4.76 118.70 119.87 2pav s GLU 237 Ca 0.12 2.01 0.05 0.00 0.02 0.00 0.00 54.97 57.16 2pav s GLU 237 Cb 0.16 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 2pav s GLU 237 CO 0.69 -0.19 -0.13 0.15 0.02 0.00 0.00 175.26 175.79 2pav s LYS 238 N -1.95 0.82 0.19 1.61 -0.14 -0.22 -4.99 119.74 115.07 2pav s LYS 238 Ca 0.52 -0.83 -0.00 0.00 -1.36 0.00 0.00 55.97 54.29 2pav s LYS 238 Cb -0.35 -0.81 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 2pav s LYS 238 CO 0.46 0.19 0.38 -1.54 -0.76 0.00 0.00 175.35 174.07 2pav s SER 239 N -1.43 6.38 -0.03 2.83 1.04 -1.26 -0.10 113.70 121.14 2pav s SER 239 Ca -0.01 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2pav s SER 239 Cb -0.09 -2.00 0.03 0.00 0.10 0.00 0.00 66.02 64.06 2pav s SER 239 CO 0.02 -0.03 0.01 -0.47 0.98 0.00 0.00 173.24 173.74 2pav s TYR 240 N -1.85 0.24 -0.35 5.02 5.04 0.78 -4.93 117.35 121.30 2pav s TYR 240 Ca 0.38 0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.87 2pav s TYR 240 Cb -0.11 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.84 2pav s TYR 240 CO 0.29 -0.11 0.42 -2.00 -1.34 0.00 0.00 175.55 172.81 2pav s GLU 241 N 0.95 3.55 0.68 4.97 2.12 -1.26 -0.15 118.70 129.56 2pav s GLU 241 Ca -0.09 -0.35 -0.13 0.00 0.36 0.00 0.00 54.97 54.76 2pav s GLU 241 Cb -0.13 -3.82 0.01 0.00 0.26 0.00 0.00 34.13 30.46 2pav s GLU 241 CO -0.02 -0.59 1.09 -0.51 -0.54 0.00 0.00 175.26 174.69 2pav s LEU 242 N 2.17 3.28 0.23 2.70 1.43 -0.17 -4.93 118.68 123.39 2pav s LEU 242 Ca 0.14 1.86 -0.09 0.00 -1.03 0.00 0.00 54.13 55.01 2pav s LEU 242 Cb -0.16 -4.53 0.36 0.00 0.03 0.00 0.00 46.19 41.89 2pav s LEU 242 CO 0.12 -1.62 1.64 -0.65 0.23 0.00 0.00 176.35 176.08 2pav h PRO 243 N -0.31 0.09 -0.07 1.29 0.11 -1.98 0.83 132.00 131.97 2pav h PRO 243 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2pav h PRO 243 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pav h PRO 243 CO 0.54 0.06 0.17 0.38 -0.21 0.00 0.00 178.00 178.95 2pav h ASP 244 N 0.10 0.00 0.00 -2.05 3.04 -2.04 -3.45 116.42 112.01 2pav h ASP 244 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 2pav h ASP 244 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.90 2pav h ASP 244 CO -0.61 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.20 2pav n GLY 245 N -1.25 0.92 3.77 7.15 0.00 0.29 -5.11 105.19 110.95 2pav n GLY 245 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2pav n GLY 245 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pav s GLN 246 N -0.00 3.39 -0.14 1.61 -2.07 -1.26 -4.61 119.66 116.57 2pav s GLN 246 Ca 0.00 1.61 -0.01 0.00 -1.82 0.00 0.00 55.36 55.13 2pav s GLN 246 Cb 0.00 -2.02 -0.02 0.00 -1.09 0.00 0.00 33.01 29.88 2pav s GLN 246 CO 0.00 -0.82 -0.10 0.08 -1.32 0.00 0.00 175.29 173.13 2pav s VAL 247 N -1.77 3.29 0.32 3.63 1.01 -1.26 -1.00 120.40 124.62 2pav s VAL 247 Ca 0.72 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 62.23 2pav s VAL 247 Cb -0.24 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.68 2pav s VAL 247 CO 0.27 0.51 -0.09 0.27 0.00 0.00 0.00 175.10 176.06 2pav s ILE 248 N 0.46 2.52 -0.13 2.22 -4.36 0.79 -4.88 121.20 117.82 2pav s ILE 248 Ca -0.08 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.12 2pav s ILE 248 Cb -0.15 -2.61 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 2pav s ILE 248 CO 0.04 -0.27 -0.05 -0.89 0.24 0.00 0.00 174.94 174.01 2pav s THR 249 N -2.53 3.77 -0.12 8.37 2.01 -1.26 -0.16 115.64 125.72 2pav s THR 249 Ca 0.32 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.94 2pav s THR 249 Cb -0.01 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.89 2pav s THR 249 CO 0.17 0.53 -0.23 -0.51 -0.69 0.00 0.00 174.62 173.89 2pav s ILE 250 N 0.04 2.07 0.00 1.82 2.07 0.86 -4.99 121.20 123.06 2pav s ILE 250 Ca -0.01 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.23 2pav s ILE 250 Cb -0.14 -1.80 0.00 0.00 0.13 0.00 0.00 42.46 40.65 2pav s ILE 250 CO 0.03 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.22 2pav n GLY 251 N 3.78 1.15 0.18 1.50 0.00 -1.26 -1.06 105.19 109.48 2pav n GLY 251 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2pav n GLY 251 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2pav h ASN 252 N 0.00 0.00 -0.46 1.61 7.08 -1.93 -2.28 115.58 119.60 2pav h ASN 252 Ca 0.00 0.00 0.12 0.00 -3.08 0.00 0.00 56.30 53.34 2pav h ASN 252 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 2pav h ASN 252 CO 0.00 0.00 0.33 -0.33 -2.08 0.00 0.00 177.43 175.35 2pav h GLU 253 N 0.00 0.06 -0.90 4.14 3.07 -1.97 -0.59 114.58 118.40 2pav h GLU 253 Ca 0.00 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2pav h GLU 253 Cb 0.28 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 2pav h GLU 253 CO 0.00 0.04 0.59 0.00 -1.40 0.00 0.00 179.01 178.24 2pav h ARG 254 N 0.06 1.03 0.00 2.33 3.08 -1.73 -2.75 114.38 116.41 2pav h ARG 254 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2pav h ARG 254 Cb 0.79 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2pav h ARG 254 CO -0.02 0.68 -1.46 1.97 -1.07 0.00 0.00 179.97 180.08 2pav n PHE 255 N -4.47 0.00 0.09 3.04 1.16 -0.99 -1.69 117.46 114.61 2pav n PHE 255 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.69 2pav n PHE 255 Cb 0.16 -0.26 0.25 0.00 -1.61 0.00 0.00 39.48 38.02 2pav n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2pav h ARG 256 N 0.00 0.25 0.67 3.97 3.08 -1.08 -2.41 114.38 118.87 2pav h ARG 256 Ca 0.00 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2pav h ARG 256 Cb 0.56 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.60 2pav h ARG 256 CO 0.00 0.59 -0.32 0.00 -1.07 0.00 0.00 179.97 179.16 2pav n PRO 258 N -4.51 0.06 0.05 0.00 -0.04 -1.25 -2.39 135.00 126.92 2pav n PRO 258 Ca -0.11 0.24 0.20 0.00 -0.04 0.00 0.00 63.50 63.79 2pav n PRO 258 Cb 0.36 -1.60 0.73 0.00 -0.04 0.00 0.00 33.50 32.94 2pav n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2pav h GLU 259 N 0.00 0.00 -0.88 0.54 4.57 -1.37 -1.52 114.58 115.91 2pav h GLU 259 Ca 0.00 0.00 0.23 0.00 -1.18 0.00 0.00 59.36 58.41 2pav h GLU 259 Cb 0.35 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 2pav h GLU 259 CO 0.00 0.00 0.61 1.15 -1.18 0.00 0.00 179.01 179.59 2pav h THR 260 N 0.00 0.61 -0.49 0.32 2.02 -1.53 0.12 112.91 113.96 2pav h THR 260 Ca 0.22 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 2pav h THR 260 Cb 0.97 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2pav h THR 260 CO -0.00 0.03 0.06 -0.07 0.37 0.00 0.00 175.52 175.91 2pav h LEU 261 N 0.18 0.74 0.00 2.58 3.38 -1.51 -2.16 115.31 118.52 2pav h LEU 261 Ca 0.44 -0.16 -0.19 0.00 0.09 0.00 0.00 57.88 58.07 2pav h LEU 261 Cb 1.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2pav h LEU 261 CO -0.09 0.78 -1.06 -0.26 0.09 0.00 0.00 178.44 177.90 2pav h PHE 262 N 0.75 0.00 -2.47 1.13 0.04 -1.06 -0.67 116.94 114.65 2pav h PHE 262 Ca 0.16 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.33 2pav h PHE 262 Cb 0.37 0.00 -0.40 0.00 2.20 0.00 0.00 35.95 38.12 2pav h PHE 262 CO 0.02 0.79 -0.84 1.04 -0.60 0.00 0.00 178.31 178.72 2pav n GLN 263 N -3.18 1.03 0.23 1.51 6.02 0.20 -3.69 117.38 119.50 2pav n GLN 263 Ca -0.04 -3.74 0.13 0.00 -0.01 0.00 0.00 57.00 53.35 2pav n GLN 263 Cb 0.89 -1.83 0.71 0.00 1.02 0.00 0.00 30.24 31.02 2pav n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 2pav h PRO 264 N 5.07 0.00 0.00 -1.09 0.11 -1.59 -1.21 132.00 133.30 2pav h PRO 264 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pav h PRO 264 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2pav h PRO 264 CO 0.54 0.00 0.04 0.66 -0.21 0.00 0.00 178.00 179.03 2pav h SER 265 N 0.00 0.00 -0.52 -2.05 4.64 -1.78 -2.02 113.55 111.82 2pav h SER 265 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2pav h SER 265 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2pav h SER 265 CO 0.00 0.00 0.35 -0.26 -0.87 0.00 0.00 176.83 176.05 2pav h PHE 266 N 0.00 0.53 -0.44 4.77 -1.00 -1.52 -0.98 116.94 118.30 2pav h PHE 266 Ca 0.00 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 2pav h PHE 266 Cb 0.08 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.42 2pav h PHE 266 CO 0.00 0.30 0.06 0.44 -1.61 0.00 0.00 178.31 177.50 2pav n ILE 267 N -4.47 2.57 -1.94 -0.55 -5.35 -0.80 -4.96 119.36 103.85 2pav n ILE 267 Ca 0.06 -1.83 -0.09 0.00 -0.27 0.00 0.00 62.75 60.63 2pav n ILE 267 Cb 0.18 -0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 37.77 2pav n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pav n GLY 268 N -0.28 0.26 3.82 3.28 0.00 -0.37 -5.03 105.19 106.87 2pav n GLY 268 Ca 0.29 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 2pav n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pav s MET 269 N -4.02 3.88 0.00 1.61 -1.94 -0.95 -4.96 119.30 112.92 2pav s MET 269 Ca 0.00 0.19 0.29 0.00 -1.71 0.00 0.00 55.69 54.46 2pav s MET 269 Cb 0.00 -3.27 1.58 0.00 2.01 0.00 0.00 34.83 35.16 2pav s MET 269 CO 0.00 0.60 2.04 0.39 -0.01 0.00 0.00 175.02 178.04 2pav n GLU 270 N 2.32 0.62 -2.15 2.03 4.71 -1.26 -2.85 120.64 124.06 2pav n GLU 270 Ca -0.15 0.01 -0.33 0.00 -0.01 0.00 0.00 57.16 56.68 2pav n GLU 270 Cb 0.53 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 2pav n GLU 270 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2pav s SER 271 N -2.34 5.89 0.64 1.62 0.01 -1.26 -5.00 113.70 113.26 2pav s SER 271 Ca 0.34 1.85 -0.14 0.00 1.31 0.00 0.00 55.95 59.32 2pav s SER 271 Cb 0.20 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 2pav s SER 271 CO 0.40 -1.09 1.06 0.00 0.41 0.00 0.00 173.24 174.02 2pav s ALA 272 N -2.34 2.68 0.93 1.44 0.00 -1.26 -4.31 121.76 118.91 2pav s ALA 272 Ca 0.65 0.29 -0.13 0.00 0.00 0.00 0.00 51.96 52.78 2pav s ALA 272 Cb -0.16 -3.22 0.15 0.00 0.00 0.00 0.00 23.12 19.89 2pav s ALA 272 CO 0.33 -1.02 1.13 0.20 0.00 0.00 0.00 175.76 176.41 2pav s GLY 273 N -3.13 1.58 0.47 0.00 0.00 -1.24 -4.76 107.32 100.24 2pav s GLY 273 Ca 0.62 -0.53 0.19 0.00 0.00 0.00 0.00 44.72 45.00 2pav s GLY 273 CO 0.44 0.05 2.02 0.16 0.00 0.00 0.00 173.10 175.78 2pav h ILE 274 N -1.59 0.94 -0.36 0.90 3.07 -1.36 -1.63 117.51 117.48 2pav h ILE 274 Ca -0.51 -0.59 -0.16 0.00 1.55 0.00 0.00 64.86 65.15 2pav h ILE 274 Cb 1.33 1.34 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 2pav h ILE 274 CO 0.60 0.16 -0.39 1.12 -1.05 0.00 0.00 178.15 178.59 2pav h HIS 275 N 0.00 1.09 -0.39 0.16 2.07 -1.91 -1.80 115.15 114.36 2pav h HIS 275 Ca -0.00 -0.34 -0.12 0.00 -2.85 0.00 0.00 60.37 57.06 2pav h HIS 275 Cb 0.32 -0.22 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 2pav h HIS 275 CO 0.00 1.16 -0.23 1.49 -3.07 0.00 0.00 177.93 177.27 2pav h GLU 276 N 0.70 0.85 0.00 5.12 4.81 -1.73 -2.59 114.58 121.75 2pav h GLU 276 Ca 0.05 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2pav h GLU 276 Cb 0.99 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2pav h GLU 276 CO 0.10 1.03 -0.37 1.79 -0.73 0.00 0.00 179.01 180.83 2pav h THR 277 N 0.66 0.87 -0.06 0.32 1.35 -1.37 -0.74 112.91 113.94 2pav h THR 277 Ca 0.08 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.45 2pav h THR 277 Cb 0.80 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2pav h THR 277 CO 0.07 0.36 0.04 0.74 -0.25 0.00 0.00 175.52 176.47 2pav h THR 278 N 0.00 1.06 -0.18 6.82 2.02 -1.11 -0.95 112.91 120.56 2pav h THR 278 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2pav h THR 278 Cb 0.89 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2pav h THR 278 CO 0.05 0.05 0.12 0.22 0.37 0.00 0.00 175.52 176.32 2pav h TYR 279 N 0.04 0.23 -0.52 3.16 3.20 -1.06 -1.79 116.97 120.23 2pav h TYR 279 Ca 0.02 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2pav h TYR 279 Cb 0.05 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2pav h TYR 279 CO -0.06 0.16 0.17 -0.91 -1.64 0.00 0.00 178.16 175.88 2pav h ASN 280 N 0.24 0.70 -0.12 -2.11 2.35 -1.06 0.10 115.58 115.68 2pav h ASN 280 Ca 0.07 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2pav h ASN 280 Cb -0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2pav h ASN 280 CO -0.01 0.66 0.04 -1.28 -1.65 0.00 0.00 177.43 175.18 2pav h SER 281 N 0.74 0.17 -0.99 5.81 0.87 -0.95 -2.17 113.55 117.04 2pav h SER 281 Ca 0.17 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2pav h SER 281 Cb 0.20 -0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 2pav h SER 281 CO -0.01 0.32 0.65 0.40 -0.53 0.00 0.00 176.83 177.66 2pav h ILE 282 N 0.01 1.19 0.00 2.23 2.04 -0.91 -1.60 117.51 120.47 2pav h ILE 282 Ca 0.04 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2pav h ILE 282 Cb 0.21 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 2pav h ILE 282 CO -0.00 0.23 0.00 0.23 0.00 0.00 0.00 178.15 178.61 2pav n MET 283 N -4.44 0.17 0.00 2.37 2.81 -0.01 -1.33 117.12 116.69 2pav n MET 283 Ca 0.13 0.29 0.14 0.00 -1.81 0.00 0.00 57.70 56.45 2pav n MET 283 Cb 0.07 -1.76 0.55 0.00 -0.71 0.00 0.00 33.22 31.37 2pav n MET 283 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2pav n LYS 284 N -2.07 0.19 -2.97 0.03 5.02 -0.61 -4.93 118.16 112.82 2pav n LYS 284 Ca 0.04 -0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 2pav n LYS 284 Cb 0.30 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.82 2pav n LYS 284 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pav n ASP 286 N -2.06 3.19 -0.33 0.00 9.92 -1.26 -4.86 116.55 121.16 2pav n ASP 286 Ca 0.04 1.12 0.24 0.00 -0.53 0.00 0.00 54.79 55.66 2pav n ASP 286 Cb 0.58 -1.47 0.47 0.00 -0.64 0.00 0.00 41.12 40.07 2pav n ASP 286 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 2pav h ILE 287 N 3.36 0.23 0.00 0.53 2.04 -1.95 -0.99 117.51 120.72 2pav h ILE 287 Ca -0.45 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2pav h ILE 287 Cb 1.25 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2pav h ILE 287 CO 0.83 0.04 0.00 0.44 0.00 0.00 0.00 178.15 179.46 2pav h ASP 288 N 0.23 0.00 0.00 1.72 3.32 -2.01 -2.80 116.42 116.88 2pav h ASP 288 Ca 0.74 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.79 2pav h ASP 288 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 2pav h ASP 288 CO -0.66 0.00 -1.07 0.00 -1.72 0.00 0.00 179.24 175.79 2pav n ILE 289 N -3.08 0.00 -0.35 0.35 3.06 -0.39 -4.66 119.36 114.29 2pav n ILE 289 Ca -0.01 -0.15 -0.02 0.00 -2.50 0.00 0.00 62.75 60.08 2pav n ILE 289 Cb 0.23 0.80 0.13 0.00 0.54 0.00 0.00 39.64 41.34 2pav n ILE 289 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 2pav h ARG 290 N 0.00 1.27 -0.69 9.51 3.08 -1.38 -1.68 114.38 124.50 2pav h ARG 290 Ca 0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2pav h ARG 290 Cb 0.52 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2pav h ARG 290 CO 0.00 0.85 0.35 0.87 -1.07 0.00 0.00 179.97 180.97 2pav h LYS 291 N 1.31 0.98 -0.50 0.04 1.57 -1.83 -1.70 116.57 116.44 2pav h LYS 291 Ca 0.35 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2pav h LYS 291 Cb -0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 2pav h LYS 291 CO -0.07 0.76 0.18 -0.44 -0.57 0.00 0.00 179.45 179.30 2pav h ASP 292 N 0.95 0.66 -0.35 0.86 3.32 -1.70 -2.11 116.42 118.05 2pav h ASP 292 Ca 0.24 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 2pav h ASP 292 Cb 0.09 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2pav h ASP 292 CO -0.03 0.62 -0.11 -0.07 -1.72 0.00 0.00 179.24 177.92 2pav h LEU 293 N 0.72 0.70 -1.46 1.55 3.38 -0.59 -2.80 115.31 116.82 2pav h LEU 293 Ca 0.17 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2pav h LEU 293 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pav h LEU 293 CO -0.01 0.92 -0.28 1.88 0.09 0.00 0.00 178.44 181.04 2pav h TYR 294 N 0.48 0.00 -0.01 1.13 0.05 -1.09 -1.62 116.97 115.92 2pav h TYR 294 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2pav h TYR 294 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2pav h TYR 294 CO 0.05 0.28 -0.03 0.00 -1.05 0.00 0.00 178.16 177.41 2pav n ALA 295 N -2.45 2.66 -2.89 3.88 0.00 -0.82 -1.61 120.51 119.29 2pav n ALA 295 Ca -0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 2pav n ALA 295 Cb 0.33 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2pav n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pav n ASN 296 N -0.54 0.52 -4.65 0.00 3.02 -0.61 -4.37 115.26 108.62 2pav n ASN 296 Ca 0.20 -2.91 -0.40 0.00 -0.03 0.00 0.00 54.58 51.44 2pav n ASN 296 Cb 0.24 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 2pav n ASN 296 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2pav s ASN 297 N -2.48 6.60 -0.10 6.41 2.47 -0.84 -1.09 114.94 125.91 2pav s ASN 297 Ca 0.32 0.72 0.03 0.00 0.42 0.00 0.00 52.86 54.35 2pav s ASN 297 Cb 0.39 -2.32 -0.00 0.00 -1.45 0.00 0.00 41.25 37.87 2pav s ASN 297 CO -0.03 -0.25 -0.22 -0.69 -3.72 0.00 0.00 177.10 172.19 2pav s VAL 298 N 1.94 2.26 -0.05 -5.21 1.01 0.01 0.19 120.40 120.55 2pav s VAL 298 Ca 0.26 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 2pav s VAL 298 Cb -0.16 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 2pav s VAL 298 CO 0.10 0.55 0.30 -0.04 0.00 0.00 0.00 175.10 176.01 2pav s MET 299 N 0.31 3.74 0.01 2.72 1.00 0.05 -1.21 119.30 125.91 2pav s MET 299 Ca -0.16 0.20 -0.01 0.00 0.00 0.00 0.00 55.69 55.71 2pav s MET 299 Cb -0.17 -3.21 -0.01 0.00 0.00 0.00 0.00 34.83 31.44 2pav s MET 299 CO 0.08 0.72 0.00 0.45 0.00 0.00 0.00 175.02 176.27 2pav s SER 300 N -1.03 0.10 0.00 3.03 0.15 0.54 -4.51 113.70 111.99 2pav s SER 300 Ca 0.20 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2pav s SER 300 Cb -0.15 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2pav s SER 300 CO 0.10 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2pav n GLY 301 N 2.30 2.47 0.34 9.45 0.00 0.10 -1.10 105.19 118.75 2pav n GLY 301 Ca -0.18 -1.86 0.08 0.00 0.00 0.00 0.00 46.02 44.06 2pav n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2pav h GLY 302 N 0.00 0.67 1.40 -0.02 0.00 -1.71 -1.98 103.07 101.43 2pav h GLY 302 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2pav h GLY 302 CO 0.00 0.17 0.00 2.41 0.00 0.00 0.00 176.54 179.12 2pav n THR 303 N -4.47 0.02 0.61 4.70 -1.04 -0.65 -2.04 114.28 111.41 2pav n THR 303 Ca 0.08 0.01 0.07 0.00 -2.04 0.00 0.00 64.05 62.16 2pav n THR 303 Cb 0.22 -0.52 0.19 0.00 -1.82 0.00 0.00 70.33 68.40 2pav n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2pav n THR 304 N -1.20 0.63 1.24 12.58 -2.24 -0.74 -4.32 114.28 120.23 2pav n THR 304 Ca 0.17 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.50 2pav n THR 304 Cb 0.20 0.24 0.52 0.00 -2.10 0.00 0.00 70.33 69.18 2pav n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2pav n MET 305 N 0.71 0.45 -1.71 -0.78 2.81 -0.87 -4.89 117.12 112.85 2pav n MET 305 Ca 0.14 -0.18 -0.43 0.00 -1.81 0.00 0.00 57.70 55.43 2pav n MET 305 Cb 0.38 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.37 2pav n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2pav n TYR 306 N -1.12 2.61 -1.67 2.03 4.01 -1.26 -4.92 117.16 116.84 2pav n TYR 306 Ca 0.11 0.17 -0.41 0.00 -0.16 0.00 0.00 57.90 57.61 2pav n TYR 306 Cb 0.31 -2.61 0.01 0.00 -0.31 0.00 0.00 39.34 36.73 2pav n TYR 306 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2pav n PRO 307 N 3.32 1.78 -0.03 -0.72 -0.02 -1.26 -2.30 135.00 135.77 2pav n PRO 307 Ca 0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2pav n PRO 307 Cb 0.33 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2pav n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pav n GLY 308 N 0.92 1.85 0.27 -1.23 0.00 -1.26 -0.53 105.19 105.21 2pav n GLY 308 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2pav n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pav h ILE 309 N 0.00 1.27 -0.70 -0.61 2.10 -1.71 -1.84 117.51 116.03 2pav h ILE 309 Ca 0.00 -1.39 -0.06 0.00 1.08 0.00 0.00 64.86 64.49 2pav h ILE 309 Cb 0.00 1.19 -0.03 0.00 -1.09 0.00 0.00 36.82 36.89 2pav h ILE 309 CO 0.00 0.47 0.20 0.00 -1.08 0.00 0.00 178.15 177.75 2pav h ALA 310 N 0.94 0.92 -0.51 0.18 0.00 -1.90 -0.69 119.26 118.19 2pav h ALA 310 Ca 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2pav h ALA 310 Cb 0.80 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2pav h ALA 310 CO 0.07 0.61 0.26 -0.44 0.00 0.00 0.00 179.25 179.74 2pav h ASP 311 N 1.04 0.66 -0.42 0.00 3.32 -1.93 0.59 116.42 119.67 2pav h ASP 311 Ca 0.22 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2pav h ASP 311 Cb 0.33 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2pav h ASP 311 CO -0.00 0.60 -0.03 -0.09 -1.72 0.00 0.00 179.24 178.00 2pav h ARG 312 N 0.68 0.77 -0.66 3.56 9.65 -1.12 -1.33 114.38 125.93 2pav h ARG 312 Ca 0.18 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 2pav h ARG 312 Cb 0.10 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.59 2pav h ARG 312 CO -0.02 0.86 0.39 0.52 2.80 0.00 0.00 179.97 184.51 2pav h MET 313 N 0.60 0.91 -0.11 0.20 2.86 -0.91 -0.33 114.93 118.14 2pav h MET 313 Ca 0.12 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2pav h MET 313 Cb 0.53 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 2pav h MET 313 CO 0.03 0.66 -0.07 0.37 1.06 0.00 0.00 176.91 178.95 2pav h GLN 314 N 0.90 -0.07 -0.23 1.72 5.75 -0.59 0.51 115.11 123.10 2pav h GLN 314 Ca 0.24 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.78 2pav h GLN 314 Cb -0.01 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 2pav h GLN 314 CO -0.04 -0.05 -0.03 -0.22 -2.65 0.00 0.00 178.83 175.84 2pav h LYS 315 N -0.08 0.04 -0.25 1.69 3.64 -0.96 -1.43 116.57 119.21 2pav h LYS 315 Ca 0.07 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 2pav h LYS 315 Cb 0.18 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2pav h LYS 315 CO -0.16 0.02 -0.28 0.93 -2.27 0.00 0.00 179.45 177.69 2pav h GLU 316 N 0.04 0.64 -0.67 1.90 4.39 -0.78 -2.54 114.58 117.55 2pav h GLU 316 Ca 0.11 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.38 2pav h GLU 316 Cb 0.15 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 2pav h GLU 316 CO -0.21 0.95 0.10 0.82 -1.16 0.00 0.00 179.01 179.52 2pav h ILE 317 N 0.35 1.26 -0.95 3.13 1.08 -0.89 -2.51 117.51 118.99 2pav h ILE 317 Ca 0.04 -1.05 0.08 0.00 -0.39 0.00 0.00 64.86 63.54 2pav h ILE 317 Cb 0.85 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 35.17 2pav h ILE 317 CO 0.07 0.39 0.61 0.74 -0.69 0.00 0.00 178.15 179.27 2pav h THR 318 N 1.04 1.03 -0.17 -0.27 2.02 -1.16 0.10 112.91 115.51 2pav h THR 318 Ca 0.20 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 2pav h THR 318 Cb 0.45 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2pav h THR 318 CO 0.01 0.19 -0.49 0.00 0.37 0.00 0.00 175.52 175.61 2pav h ALA 319 N 1.51 0.85 -0.03 6.16 0.00 -1.13 -3.22 119.26 123.40 2pav h ALA 319 Ca 0.42 -0.48 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2pav h ALA 319 Cb 0.27 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.98 2pav h ALA 319 CO -0.17 0.66 -0.96 -0.07 0.00 0.00 0.00 179.25 178.71 2pav h LEU 320 N 0.35 0.90-10.43 0.00 3.38 -0.99 -3.47 115.31 105.04 2pav h LEU 320 Ca 0.02 -0.72 -0.48 0.00 0.09 0.00 0.00 57.88 56.79 2pav h LEU 320 Cb 0.98 -0.27 0.12 0.00 0.09 0.00 0.00 40.66 41.58 2pav h LEU 320 CO 0.09 1.49 0.31 0.00 0.09 0.00 0.00 178.44 180.42 2pav s ALA 321 N -3.40 2.01 0.59 1.53 0.00 0.31 -5.00 121.76 117.79 2pav s ALA 321 Ca -0.10 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 2pav s ALA 321 Cb 0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2pav s ALA 321 CO 0.91 -1.98 1.08 -2.30 0.00 0.00 0.00 175.76 173.47 2pav n PRO 322 N -3.59 1.07 0.28 0.00 -0.02 -1.26 -4.88 135.00 126.60 2pav n PRO 322 Ca 0.07 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 62.08 2pav n PRO 322 Cb 0.57 -2.28 0.79 0.00 -0.02 0.00 0.00 33.50 32.56 2pav n PRO 322 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2pav h SER 323 N 0.68 0.00 -0.54 2.55 4.64 -1.95 -2.01 113.55 116.93 2pav h SER 323 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2pav h SER 323 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2pav h SER 323 CO 0.52 0.03 0.00 0.35 -0.87 0.00 0.00 176.83 176.87 2pav n THR 324 N -4.01 1.93 -2.28 2.95 -2.24 -1.26 -5.00 114.28 104.37 2pav n THR 324 Ca -0.03 -1.31 -0.41 0.00 -2.27 0.00 0.00 64.05 60.03 2pav n THR 324 Cb 0.12 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 2pav n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2pav s MET 325 N -2.02 4.44 -0.14 -0.78 0.00 -0.76 -4.97 119.30 115.09 2pav s MET 325 Ca 0.47 2.00 -0.29 0.00 0.00 0.00 0.00 55.69 57.86 2pav s MET 325 Cb 0.32 -3.19 -0.02 0.00 0.00 0.00 0.00 34.83 31.94 2pav s MET 325 CO 0.20 -0.14 1.19 0.21 0.00 0.00 0.00 175.02 176.48 2pav s LYS 326 N -0.57 4.29 -0.13 4.11 2.20 -1.26 -5.02 119.74 123.36 2pav s LYS 326 Ca 0.53 1.59 0.02 0.00 -0.36 0.00 0.00 55.97 57.75 2pav s LYS 326 Cb -0.35 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.32 2pav s LYS 326 CO 0.40 -0.58 -0.19 0.42 -0.36 0.00 0.00 175.35 175.04 2pav s ILE 327 N 2.92 1.85 -0.03 5.43 -1.09 -1.26 -3.59 121.20 125.43 2pav s ILE 327 Ca 0.53 -0.84 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2pav s ILE 327 Cb -0.21 -1.66 0.01 0.00 -1.58 0.00 0.00 42.46 39.02 2pav s ILE 327 CO 0.16 0.51 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.57 2pav s LYS 328 N 0.95 0.74 -0.15 2.79 2.20 -0.63 -4.96 119.74 120.68 2pav s LYS 328 Ca -0.05 -0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 2pav s LYS 328 Cb -0.15 -0.72 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 2pav s LYS 328 CO -0.03 0.04 -0.14 0.42 -0.36 0.00 0.00 175.35 175.27 2pav s ILE 329 N 0.38 2.82 -0.27 5.43 1.01 -1.26 -1.98 121.20 127.33 2pav s ILE 329 Ca -0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 2pav s ILE 329 Cb -0.09 -2.19 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2pav s ILE 329 CO 0.00 0.51 0.10 -0.63 0.00 0.00 0.00 174.94 174.93 2pav s ILE 330 N 0.68 4.49 -0.50 2.92 1.09 0.13 -4.99 121.20 125.01 2pav s ILE 330 Ca -0.07 -0.19 0.03 0.00 -1.10 0.00 0.00 60.65 59.32 2pav s ILE 330 Cb -0.16 -3.15 0.15 0.00 -1.06 0.00 0.00 42.46 38.25 2pav s ILE 330 CO 0.02 0.27 0.32 0.00 -0.10 0.00 0.00 174.94 175.45 2pav s ALA 331 N 1.63 2.43 0.32 9.38 0.00 -1.26 -0.77 121.76 133.49 2pav s ALA 331 Ca 0.06 -2.88 -0.29 0.00 0.00 0.00 0.00 51.96 48.85 2pav s ALA 331 Cb -0.16 -1.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.95 2pav s ALA 331 CO 0.05 -2.05 1.48 -2.14 0.00 0.00 0.00 175.76 173.10 2pav s PRO 332 N -0.15 4.18 0.52 0.00 0.02 -1.26 -4.90 135.00 133.41 2pav s PRO 332 Ca 0.22 2.47 0.26 0.00 0.02 0.00 0.00 61.00 63.97 2pav s PRO 332 Cb -0.14 -3.02 1.38 0.00 0.02 0.00 0.00 34.50 32.73 2pav s PRO 332 CO -0.08 -0.48 1.94 -1.35 -0.33 0.00 0.00 177.00 176.70 2pav h PRO 333 N 3.90 0.06 -0.60 5.54 0.11 -1.99 -2.10 132.00 136.93 2pav h PRO 333 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pav h PRO 333 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pav h PRO 333 CO 0.71 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.69 2pav n GLU 334 N -4.36 2.56 0.00 1.05 0.00 -1.26 -4.60 120.64 114.03 2pav n GLU 334 Ca 0.14 -1.59 0.04 0.00 0.00 0.00 0.00 57.16 55.75 2pav n GLU 334 Cb 0.73 -1.63 0.20 0.00 0.00 0.00 0.00 31.44 30.74 2pav n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 2pav n ARG 335 N 0.50 0.08 0.27 3.44 1.85 -0.79 -0.88 116.66 121.13 2pav n ARG 335 Ca 0.14 0.26 0.14 0.00 -1.00 0.00 0.00 57.85 57.39 2pav n ARG 335 Cb 0.56 -1.50 0.76 0.00 -1.05 0.00 0.00 32.46 31.24 2pav n ARG 335 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2pav h LYS 336 N 0.00 0.00 0.00 2.89 1.57 -1.81 0.32 116.57 119.53 2pav h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pav h LYS 336 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2pav h LYS 336 CO 0.00 0.10 -0.06 0.66 -0.57 0.00 0.00 179.45 179.58 2pav n TYR 337 N -3.49 0.00 0.21 -1.35 4.01 -0.06 -4.58 117.16 111.90 2pav n TYR 337 Ca -0.01 -0.65 0.08 0.00 -0.16 0.00 0.00 57.90 57.15 2pav n TYR 337 Cb 0.24 -0.10 0.41 0.00 -0.31 0.00 0.00 39.34 39.59 2pav n TYR 337 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2pav h SER 338 N 0.00 0.00 -0.11 7.72 4.64 -1.58 -0.81 113.55 123.41 2pav h SER 338 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pav h SER 338 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 2pav h SER 338 CO 0.00 0.30 0.07 0.58 -0.87 0.00 0.00 176.83 176.91 2pav h VAL 339 N 0.00 1.04 -0.07 0.95 2.07 -1.85 0.26 116.25 118.65 2pav h VAL 339 Ca -0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2pav h VAL 339 Cb 0.79 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2pav h VAL 339 CO 0.04 0.03 0.02 -0.25 0.02 0.00 0.00 177.57 177.43 2pav h TRP 340 N 0.15 0.11 -1.00 1.57 7.01 -1.83 -1.63 115.95 120.32 2pav h TRP 340 Ca 0.04 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.08 2pav h TRP 340 Cb -0.01 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 2pav h TRP 340 CO -0.07 0.29 0.65 0.82 -2.79 0.00 0.00 178.44 177.34 2pav h ILE 341 N -0.10 1.14 -0.13 2.65 2.04 -1.00 -0.05 117.51 122.06 2pav h ILE 341 Ca 0.02 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 2pav h ILE 341 Cb 0.23 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 2pav h ILE 341 CO -0.00 0.22 -0.30 1.23 0.00 0.00 0.00 178.15 179.30 2pav h GLY 342 N 1.23 0.26 0.98 5.37 0.00 -0.13 -1.11 103.07 109.67 2pav h GLY 342 Ca 0.41 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 2pav h GLY 342 CO -0.14 0.19 0.08 -1.33 0.00 0.00 0.00 176.54 175.35 2pav h GLY 343 N 1.05 0.88 1.02 4.60 0.00 -0.28 0.55 103.07 110.89 2pav h GLY 343 Ca 0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 2pav h GLY 343 CO 0.05 0.54 0.48 0.23 0.00 0.00 0.00 176.54 177.83 2pav h SER 344 N 0.69 1.04 -0.06 0.19 0.87 -0.47 0.26 113.55 116.08 2pav h SER 344 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 2pav h SER 344 Cb 0.39 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2pav h SER 344 CO 0.01 0.83 -0.01 0.40 -0.53 0.00 0.00 176.83 177.53 2pav h ILE 345 N 1.17 1.28 -0.30 2.23 2.04 -1.10 -3.01 117.51 119.82 2pav h ILE 345 Ca 0.30 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2pav h ILE 345 Cb 0.01 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2pav h ILE 345 CO -0.05 0.24 0.02 0.25 0.00 0.00 0.00 178.15 178.62 2pav h LEU 346 N -0.23 0.50 -1.32 1.44 5.85 -0.67 -2.20 115.31 118.69 2pav h LEU 346 Ca 0.01 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2pav h LEU 346 Cb 0.39 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2pav h LEU 346 CO 0.00 0.66 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 2pav h ALA 347 N 0.86 1.00 -0.00 1.25 0.00 -1.00 -1.75 119.26 119.61 2pav h ALA 347 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pav h ALA 347 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2pav h ALA 347 CO 0.01 0.00 -0.47 0.43 0.00 0.00 0.00 179.25 179.22 2pav n SER 348 N -2.34 0.93 -4.79 0.00 7.64 -0.84 -4.92 113.62 109.30 2pav n SER 348 Ca -0.00 -0.73 -0.37 0.00 1.01 0.00 0.00 58.87 58.78 2pav n SER 348 Cb 0.11 0.33 -0.06 0.00 -1.01 0.00 0.00 64.21 63.57 2pav n SER 348 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2pav s LEU 349 N -2.76 4.36 0.35 -3.43 1.43 -0.66 -4.95 118.68 113.02 2pav s LEU 349 Ca 0.16 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 54.98 2pav s LEU 349 Cb 0.18 -3.78 0.74 0.00 0.03 0.00 0.00 46.19 43.36 2pav s LEU 349 CO 0.64 -0.00 1.90 0.28 0.23 0.00 0.00 176.35 179.39 2pav h SER 350 N 3.37 0.71 0.32 2.29 0.02 -1.91 -1.99 113.55 116.35 2pav h SER 350 Ca -0.47 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 2pav h SER 350 Cb 1.19 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2pav h SER 350 CO 0.65 0.40 -0.05 0.00 -1.14 0.00 0.00 176.83 176.69 2pav h THR 351 N 0.77 0.30 0.00 -2.27 1.03 -1.92 -2.61 112.91 108.20 2pav h THR 351 Ca 0.41 -0.30 -0.01 0.00 -0.01 0.00 0.00 66.41 66.50 2pav h THR 351 Cb 0.52 1.23 -0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2pav h THR 351 CO -0.17 0.05 -0.11 0.15 -0.01 0.00 0.00 175.52 175.42 2pav h PHE 352 N 0.00 0.00 -0.11 0.00 3.57 -1.59 -3.35 116.94 115.46 2pav h PHE 352 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 2pav h PHE 352 Cb 0.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2pav h PHE 352 CO 0.00 0.03 -0.10 1.96 -2.23 0.00 0.00 178.31 177.98 2pav h GLN 353 N 0.00 0.17 0.00 1.11 1.08 -1.57 0.19 115.11 116.08 2pav h GLN 353 Ca -0.00 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2pav h GLN 353 Cb 1.03 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 2pav h GLN 353 CO 0.00 0.27 0.00 -0.56 -0.95 0.00 0.00 178.83 177.60 2pav h GLN 354 N 0.16 0.00 0.00 1.46 3.07 -1.79 -3.28 115.11 114.74 2pav h GLN 354 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.57 2pav h GLN 354 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 2pav h GLN 354 CO 0.02 0.00 -1.29 0.52 0.09 0.00 0.00 178.83 178.16 2pav h MET 355 N 0.00 0.00 -6.45 0.06 2.86 -0.83 -3.46 114.93 107.11 2pav h MET 355 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 2pav h MET 355 Cb 0.36 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.12 2pav h MET 355 CO 0.00 0.54 0.21 0.91 1.06 0.00 0.00 176.91 179.63 2pav n TRP 356 N -3.09 1.36 -2.91 -0.22 7.02 -1.21 -4.92 117.44 113.47 2pav n TRP 356 Ca -0.08 0.67 -0.41 0.00 -1.02 0.00 0.00 57.50 56.66 2pav n TRP 356 Cb 0.92 -2.28 -0.04 0.00 -2.42 0.00 0.00 31.31 27.49 2pav n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 2pav s ILE 357 N -0.74 4.91 0.47 -0.99 1.01 0.39 -4.92 121.20 121.33 2pav s ILE 357 Ca 0.63 1.61 -0.04 0.00 0.00 0.00 0.00 60.65 62.86 2pav s ILE 357 Cb -0.74 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 37.58 2pav s ILE 357 CO 0.57 0.07 0.76 0.42 0.00 0.00 0.00 174.94 176.76 2pav s THR 358 N 1.86 4.74 0.27 2.92 -4.23 -1.26 -1.34 115.64 118.61 2pav s THR 358 Ca 0.39 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2pav s THR 358 Cb -0.17 -3.79 0.27 0.00 1.34 0.00 0.00 72.50 70.15 2pav s THR 358 CO 0.14 -0.73 1.84 0.50 -0.54 0.00 0.00 174.62 175.83 2pav h LYS 359 N 0.27 0.97 -0.75 3.99 1.63 -1.67 -1.06 116.57 119.95 2pav h LYS 359 Ca -0.47 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.31 2pav h LYS 359 Cb 1.22 -0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 2pav h LYS 359 CO 0.61 0.64 0.46 0.37 -3.45 0.00 0.00 179.45 178.09 2pav h GLN 360 N 1.00 0.86 -0.36 1.90 5.75 -1.94 0.12 115.11 122.44 2pav h GLN 360 Ca 0.47 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.80 2pav h GLN 360 Cb 0.40 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 2pav h GLN 360 CO -0.24 0.57 -0.23 0.93 -2.65 0.00 0.00 178.83 177.20 2pav h GLU 361 N 0.89 0.73 -0.51 1.69 5.08 -1.72 -2.12 114.58 118.61 2pav h GLU 361 Ca 0.31 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2pav h GLU 361 Cb 0.07 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2pav h GLU 361 CO -0.13 0.89 0.07 -0.92 -1.00 0.00 0.00 179.01 177.92 2pav h TYR 362 N 0.63 0.92 -0.63 4.33 3.20 -0.55 -1.38 116.97 123.48 2pav h TYR 362 Ca 0.09 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.84 2pav h TYR 362 Cb 0.73 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2pav h TYR 362 CO 0.04 0.83 0.42 -0.44 -1.64 0.00 0.00 178.16 177.37 2pav h ASP 363 N 0.73 0.70 0.35 -2.11 3.32 -0.55 0.36 116.42 119.22 2pav h ASP 363 Ca 0.15 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.86 2pav h ASP 363 Cb 0.42 -0.17 0.02 0.00 0.22 0.00 0.00 39.33 39.82 2pav h ASP 363 CO 0.01 0.50 -1.52 -0.33 -1.72 0.00 0.00 179.24 176.18 2pav h GLU 364 N 0.82 0.40 0.00 3.56 5.08 -1.19 -3.40 114.58 119.85 2pav h GLU 364 Ca 0.24 -0.69 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2pav h GLU 364 Cb -0.04 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2pav h GLU 364 CO -0.06 1.31 -1.63 0.00 -1.00 0.00 0.00 179.01 177.63 2pav n ALA 365 N -2.71 2.49 -0.02 3.43 0.00 -0.54 -5.11 120.51 118.05 2pav n ALA 365 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2pav n ALA 365 Cb 1.07 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 2pav n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pav n GLY 366 N 1.73 -2.17 0.39 0.00 0.00 0.13 -4.30 105.19 100.97 2pav n GLY 366 Ca -0.03 -1.47 0.21 0.00 0.00 0.00 0.00 46.02 44.73 2pav n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pav h PRO 367 N 0.00 0.00 0.00 1.61 0.11 -1.88 -1.75 132.00 130.09 2pav h PRO 367 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2pav h PRO 367 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2pav h PRO 367 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2pav n SER 368 N -4.09 0.00 -0.20 -2.05 3.41 -1.26 -2.14 113.62 107.28 2pav n SER 368 Ca 0.10 0.17 0.26 0.00 -0.26 0.00 0.00 58.87 59.14 2pav n SER 368 Cb 0.65 -0.34 0.67 0.00 -0.26 0.00 0.00 64.21 64.92 2pav n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2pav h ILE 369 N 0.00 0.58 0.00 -1.33 6.09 -1.53 -1.03 117.51 120.29 2pav h ILE 369 Ca 0.00 -0.04 -0.03 0.00 -1.37 0.00 0.00 64.86 63.42 2pav h ILE 369 Cb 0.18 0.46 -0.00 0.00 0.47 0.00 0.00 36.82 37.92 2pav h ILE 369 CO 0.00 0.02 -0.16 1.62 -3.07 0.00 0.00 178.15 176.56 2pav h VAL 370 N 0.11 0.95 0.00 2.19 3.04 -1.69 -0.68 116.25 120.17 2pav h VAL 370 Ca 0.45 -0.58 -0.12 0.00 -1.01 0.00 0.00 66.70 65.43 2pav h VAL 370 Cb 1.58 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 32.17 2pav h VAL 370 CO -0.06 0.16 -0.59 0.45 -1.01 0.00 0.00 177.57 176.52 2pav h HIS 371 N 0.00 0.00 0.00 3.17 3.86 -1.42 -2.10 115.15 118.66 2pav h HIS 371 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 2pav h HIS 371 Cb 0.31 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.79 2pav h HIS 371 CO 0.00 0.59 -0.30 0.00 0.86 0.00 0.00 177.93 179.08 2pav h ARG 372 N 0.00 0.20 0.00 2.45 2.47 -1.36 -3.40 114.38 114.73 2pav h ARG 372 Ca -0.01 -0.22 -0.12 0.00 -1.26 0.00 0.00 59.98 58.38 2pav h ARG 372 Cb 1.15 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.51 2pav h ARG 372 CO 0.08 0.95 -1.46 1.63 0.56 0.00 0.00 179.97 181.73 2pav n LYS 373 N -4.47 0.63 -3.91 0.04 5.02 -0.35 -4.80 118.16 110.32 2pav n LYS 373 Ca -0.10 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.99 2pav n LYS 373 Cb 0.53 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 2pav n LYS 373 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88