#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wof s SER 0 N 0.00 5.84 -0.05 1.61 0.15 -1.26 -4.95 113.70 115.03 1wof s SER 0 Ca 0.00 2.45 0.19 0.00 0.70 0.00 0.00 55.95 59.30 1wof s SER 0 Cb 0.00 -2.61 -0.24 0.00 -1.71 0.00 0.00 66.02 61.45 1wof s SER 0 CO 0.00 -1.15 0.45 -1.54 1.20 0.00 0.00 173.24 172.20 1wof n SER 1 N -0.71 0.25 0.00 5.45 3.41 -1.26 -5.10 113.62 115.66 1wof n SER 1 Ca 0.09 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1wof n SER 1 Cb 0.47 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 1wof n SER 1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wof n GLY 2 N 1.45 0.26 3.23 5.00 0.00 -1.26 -5.02 105.19 108.86 1wof n GLY 2 Ca -0.15 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1wof n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wof s PHE 3 N -1.59 -0.85 0.11 1.61 5.36 -1.26 -4.93 117.98 116.42 1wof s PHE 3 Ca 0.00 1.47 0.06 0.00 -0.96 0.00 0.00 56.93 57.50 1wof s PHE 3 Cb 0.00 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.94 1wof s PHE 3 CO 0.00 -0.54 -0.15 1.03 -1.46 0.00 0.00 175.22 174.10 1wof s ARG 4 N 2.62 0.99 -0.98 10.12 1.81 -1.26 -5.06 118.95 127.20 1wof s ARG 4 Ca 0.01 -1.15 -0.21 0.00 -1.72 0.00 0.00 55.73 52.66 1wof s ARG 4 Cb -0.13 -0.98 0.09 0.00 -0.45 0.00 0.00 34.95 33.48 1wof s ARG 4 CO -0.14 0.21 1.29 0.21 -0.68 0.00 0.00 175.30 176.19 1wof s LYS 5 N -2.27 3.60 0.07 3.54 2.20 -1.26 -4.98 119.74 120.64 1wof s LYS 5 Ca 0.06 -1.47 0.01 0.00 -0.36 0.00 0.00 55.97 54.21 1wof s LYS 5 Cb -0.07 -5.13 -0.04 0.00 -1.51 0.00 0.00 37.83 31.07 1wof s LYS 5 CO 0.03 -1.98 0.20 0.00 -0.36 0.00 0.00 175.35 173.23 1wof s MET 6 N 3.78 3.35 0.38 4.03 0.23 -1.26 -4.68 119.30 125.13 1wof s MET 6 Ca 0.39 -0.50 0.07 0.00 -1.03 0.00 0.00 55.69 54.63 1wof s MET 6 Cb -0.02 -2.98 -0.02 0.00 -1.53 0.00 0.00 34.83 30.28 1wof s MET 6 CO -0.10 0.59 0.40 0.00 -2.03 0.00 0.00 175.02 173.89 1wof s ALA 7 N -1.52 4.10 0.50 3.16 0.00 -1.26 -4.71 121.76 122.04 1wof s ALA 7 Ca 0.34 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 1wof s ALA 7 Cb -0.13 -1.27 -0.08 0.00 0.00 0.00 0.00 23.12 21.64 1wof s ALA 7 CO 0.27 -0.13 1.00 -0.06 0.00 0.00 0.00 175.76 176.84 1wof s PHE 8 N -2.35 3.24 0.34 0.00 0.40 -1.26 -4.96 117.98 113.39 1wof s PHE 8 Ca 0.47 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 58.05 1wof s PHE 8 Cb -0.06 -2.90 -0.12 0.00 0.51 0.00 0.00 43.02 40.45 1wof s PHE 8 CO 0.29 -0.52 1.41 -2.30 0.70 0.00 0.00 175.22 174.79 1wof n PRO 9 N -1.29 2.39 0.00 0.24 -0.02 -1.26 -4.89 135.00 130.16 1wof n PRO 9 Ca 0.08 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.52 1wof n PRO 9 Cb 0.53 -2.50 0.26 0.00 -0.02 0.00 0.00 33.50 31.77 1wof n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1wof n SER 10 N 0.92 1.46 -0.26 2.55 3.41 -1.26 -4.59 113.62 115.84 1wof n SER 10 Ca 0.04 -1.18 0.07 0.00 -0.26 0.00 0.00 58.87 57.54 1wof n SER 10 Cb 0.37 0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.73 1wof n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wof h GLY 11 N 4.89 1.00 2.00 5.00 0.00 -1.99 0.43 103.07 114.40 1wof h GLY 11 Ca 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1wof h GLY 11 CO 0.00 -0.26 -0.09 0.50 0.00 0.00 0.00 176.54 176.68 1wof h LYS 12 N 0.19 0.00 0.12 4.80 1.57 -1.95 -2.54 116.57 118.76 1wof h LYS 12 Ca 0.44 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.87 1wof h LYS 12 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1wof h LYS 12 CO -0.59 0.09 -1.82 0.28 -0.57 0.00 0.00 179.45 176.84 1wof h VAL 13 N 0.00 0.82 -0.95 0.50 2.07 -1.46 -3.35 116.25 113.88 1wof h VAL 13 Ca -0.00 -2.51 0.13 0.00 0.82 0.00 0.00 66.70 65.14 1wof h VAL 13 Cb 0.21 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.51 1wof h VAL 13 CO 0.01 0.82 0.60 -0.33 0.02 0.00 0.00 177.57 178.70 1wof h GLU 14 N 0.07 0.82 0.00 1.57 5.08 -0.66 0.11 114.58 121.57 1wof h GLU 14 Ca -0.35 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1wof h GLU 14 Cb 2.05 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1wof h GLU 14 CO 0.12 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 179.09 1wof n GLY 15 N -1.39 -0.59 0.14 -3.84 0.00 -0.99 -2.61 105.19 95.91 1wof n GLY 15 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.13 1wof n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wof s MET 17 N -1.25 4.56 0.28 0.00 -1.94 -1.07 0.46 119.30 120.35 1wof s MET 17 Ca 0.06 1.45 0.02 0.00 -1.71 0.00 0.00 55.69 55.51 1wof s MET 17 Cb 0.06 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.42 1wof s MET 17 CO 0.21 -0.04 0.16 0.14 -0.01 0.00 0.00 175.02 175.47 1wof s VAL 18 N 0.92 0.26 -0.12 -6.03 -7.23 -0.62 -4.86 120.40 102.73 1wof s VAL 18 Ca 0.52 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1wof s VAL 18 Cb -0.22 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1wof s VAL 18 CO 0.28 0.00 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.48 1wof s GLN 19 N -3.88 3.33 -0.09 4.82 0.74 -0.14 -0.90 119.66 123.54 1wof s GLN 19 Ca 0.37 -0.46 0.02 0.00 0.05 0.00 0.00 55.36 55.34 1wof s GLN 19 Cb 0.06 -2.86 0.01 0.00 1.10 0.00 0.00 33.01 31.32 1wof s GLN 19 CO 0.17 0.47 -0.16 0.08 -0.55 0.00 0.00 175.29 175.31 1wof s VAL 20 N -0.26 1.45 0.00 1.34 1.01 0.11 -0.49 120.40 123.57 1wof s VAL 20 Ca 0.05 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1wof s VAL 20 Cb -0.12 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1wof s VAL 20 CO 0.02 0.43 -0.19 -0.89 0.00 0.00 0.00 175.10 174.47 1wof s THR 21 N 0.71 1.48 -0.10 3.92 2.01 0.57 -1.39 115.64 122.85 1wof s THR 21 Ca -0.13 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 1wof s THR 21 Cb -0.16 -1.26 0.05 0.00 0.01 0.00 0.00 72.50 71.14 1wof s THR 21 CO 0.03 0.33 0.24 0.00 -0.69 0.00 0.00 174.62 174.53 1wof n GLY 23 N 4.37 3.85 0.44 0.00 0.00 -1.26 -1.31 105.19 111.28 1wof n GLY 23 Ca -0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.88 1wof n GLY 23 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wof n THR 24 N 0.00 2.01 -4.09 2.61 -2.24 -1.26 -4.98 114.28 106.33 1wof n THR 24 Ca 0.00 -2.02 -0.35 0.00 -2.27 0.00 0.00 64.05 59.41 1wof n THR 24 Cb 0.00 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 67.90 1wof n THR 24 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wof s THR 25 N -2.75 4.02 -0.10 4.28 -4.23 -0.43 -5.09 115.64 111.34 1wof s THR 25 Ca 0.35 -0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.60 1wof s THR 25 Cb 0.29 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 71.32 1wof s THR 25 CO 0.06 0.43 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.48 1wof s THR 26 N 0.92 1.81 0.14 3.99 2.01 -1.26 -1.78 115.64 121.46 1wof s THR 26 Ca 0.01 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1wof s THR 26 Cb -0.14 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1wof s THR 26 CO 0.02 0.50 0.15 0.00 -0.69 0.00 0.00 174.62 174.60 1wof n LEU 27 N 3.77 0.00 -4.87 4.42 -0.00 -0.48 -4.87 117.00 114.97 1wof n LEU 27 Ca -0.20 -1.22 -0.32 0.00 -0.00 0.00 0.00 56.01 54.28 1wof n LEU 27 Cb 0.52 0.82 -0.05 0.00 -0.00 0.00 0.00 43.42 44.71 1wof n LEU 27 CO 0.27 -0.23 0.24 0.20 -0.00 0.00 0.00 177.39 177.87 1wof s ASN 28 N -1.91 6.63 0.12 1.45 0.01 -0.17 -0.72 114.94 120.35 1wof s ASN 28 Ca 0.14 0.95 0.04 0.00 -0.71 0.00 0.00 52.86 53.29 1wof s ASN 28 Cb 0.00 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 1wof s ASN 28 CO 0.10 -0.10 -0.11 -0.83 -1.51 0.00 0.00 177.10 174.66 1wof s GLY 29 N -2.39 0.95 -0.29 0.66 0.00 -0.08 -4.10 107.32 102.06 1wof s GLY 29 Ca 0.48 -1.29 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 1wof s GLY 29 CO 0.21 -1.37 0.07 -2.27 0.00 0.00 0.00 173.10 169.74 1wof s LEU 30 N -2.65 3.77 -0.46 0.66 2.96 0.75 -1.59 118.68 122.12 1wof s LEU 30 Ca 0.09 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.15 1wof s LEU 30 Cb -0.02 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.86 1wof s LEU 30 CO 0.01 -0.18 0.39 0.86 -1.32 0.00 0.00 176.35 176.11 1wof s TRP 31 N 1.49 3.23 -0.13 5.38 -0.00 0.17 -0.62 118.94 128.47 1wof s TRP 31 Ca 0.03 -0.79 0.02 0.00 -0.00 0.00 0.00 56.10 55.36 1wof s TRP 31 Cb -0.17 -3.03 0.01 0.00 -0.00 0.00 0.00 33.47 30.29 1wof s TRP 31 CO 0.02 -0.75 -0.18 -0.51 -0.00 0.00 0.00 176.95 175.52 1wof s LEU 32 N 1.74 1.91 0.00 5.86 1.43 -0.28 -4.63 118.68 124.72 1wof s LEU 32 Ca 0.05 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1wof s LEU 32 Cb -0.22 -1.28 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1wof s LEU 32 CO 0.08 0.04 0.00 0.47 0.23 0.00 0.00 176.35 177.17 1wof n ASP 33 N 4.19 0.00 -1.61 2.29 8.00 -1.26 -1.29 116.55 126.88 1wof n ASP 33 Ca -0.19 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.24 1wof n ASP 33 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.85 1wof n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1wof n ASP 34 N 5.95 3.77 -4.17 -2.24 5.75 -1.26 -0.77 116.55 123.57 1wof n ASP 34 Ca 0.00 -3.43 -0.22 0.00 -0.01 0.00 0.00 54.79 51.13 1wof n ASP 34 Cb 0.00 -0.70 -0.14 0.00 -1.03 0.00 0.00 41.12 39.25 1wof n ASP 34 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1wof s THR 35 N -3.10 1.28 -0.14 2.12 2.01 -0.41 -0.98 115.64 116.42 1wof s THR 35 Ca 0.50 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1wof s THR 35 Cb 0.42 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1wof s THR 35 CO 0.08 0.16 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.29 1wof s VAL 36 N -0.68 1.90 -0.15 3.82 1.01 0.11 -1.12 120.40 125.28 1wof s VAL 36 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1wof s VAL 36 Cb -0.07 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1wof s VAL 36 CO 0.01 0.52 0.07 -0.31 0.00 0.00 0.00 175.10 175.38 1wof s TYR 37 N 1.02 3.31 0.15 5.22 1.51 0.21 -0.88 117.35 127.90 1wof s TYR 37 Ca -0.03 0.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.05 1wof s TYR 37 Cb -0.15 -1.99 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1wof s TYR 37 CO -0.05 0.35 0.49 0.00 -1.11 0.00 0.00 175.55 175.22 1wof n PRO 39 N -0.30 2.79 0.31 0.00 -0.02 -1.26 -0.84 135.00 135.68 1wof n PRO 39 Ca -0.15 1.00 0.19 0.00 -2.02 0.00 0.00 63.50 62.53 1wof n PRO 39 Cb 0.64 -2.85 1.00 0.00 -0.02 0.00 0.00 33.50 32.28 1wof n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1wof h ARG 40 N 6.48 0.00 0.00 -0.52 0.11 -1.55 -2.51 114.38 116.39 1wof h ARG 40 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1wof h ARG 40 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1wof h ARG 40 CO 0.93 0.02 0.00 -2.39 0.10 0.00 0.00 179.97 178.63 1wof n HIS 41 N -3.28 0.00 0.30 4.08 1.44 -1.26 -2.08 115.22 114.41 1wof n HIS 41 Ca -0.02 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.86 1wof n HIS 41 Cb 0.14 -0.05 0.91 0.00 0.12 0.00 0.00 29.99 31.12 1wof n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 1wof h VAL 42 N 0.00 0.24 -0.01 0.61 3.04 -1.83 -1.40 116.25 116.90 1wof h VAL 42 Ca 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1wof h VAL 42 Cb 0.02 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1wof h VAL 42 CO 0.00 0.04 -0.04 2.30 -1.01 0.00 0.00 177.57 178.86 1wof n ILE 43 N -3.35 0.00 -2.80 3.17 -5.35 -0.88 -4.46 119.36 105.69 1wof n ILE 43 Ca -0.02 -0.18 -0.35 0.00 -0.27 0.00 0.00 62.75 61.93 1wof n ILE 43 Cb 0.18 0.27 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 1wof n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wof s THR 45 N -1.86 3.22 0.62 0.00 -4.23 -1.26 -4.87 115.64 107.26 1wof s THR 45 Ca 0.55 -1.50 0.27 0.00 -1.18 0.00 0.00 61.69 59.83 1wof s THR 45 Cb -0.14 -3.08 0.33 0.00 1.34 0.00 0.00 72.50 70.94 1wof s THR 45 CO 0.19 -0.16 1.81 0.00 -0.54 0.00 0.00 174.62 175.92 1wof h ALA 46 N 1.35 1.94 -0.00 3.99 0.00 -2.01 0.37 119.26 124.90 1wof h ALA 46 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1wof h ALA 46 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wof h ALA 46 CO 0.60 -0.68 -0.43 0.39 0.00 0.00 0.00 179.25 179.13 1wof n GLU 47 N -3.33 0.15 -0.16 0.00 4.71 -1.26 -3.98 120.64 116.77 1wof n GLU 47 Ca 0.05 -0.08 0.11 0.00 -0.01 0.00 0.00 57.16 57.23 1wof n GLU 47 Cb 0.65 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.77 1wof n GLU 47 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1wof n ASP 48 N -1.35 3.26 0.19 1.62 8.00 0.13 -4.59 116.55 123.80 1wof n ASP 48 Ca 0.07 -1.94 0.03 0.00 0.71 0.00 0.00 54.79 53.66 1wof n ASP 48 Cb 0.34 -0.21 0.37 0.00 -0.02 0.00 0.00 41.12 41.60 1wof n ASP 48 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1wof h MET 49 N 4.08 0.00 0.02 -1.24 2.86 -1.68 -2.94 114.93 116.02 1wof h MET 49 Ca 0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1wof h MET 49 Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1wof h MET 49 CO 0.00 0.37 -0.71 1.25 1.06 0.00 0.00 176.91 178.88 1wof h LEU 50 N 0.00 0.05 -5.68 1.22 5.85 -1.85 0.15 115.31 115.05 1wof h LEU 50 Ca -0.00 -0.77 -0.49 0.00 0.84 0.00 0.00 57.88 57.46 1wof h LEU 50 Cb 0.68 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.29 1wof h LEU 50 CO 0.05 1.29 -1.09 -3.20 -0.34 0.00 0.00 178.44 175.15 1wof n ASN 51 N -4.45 1.69 -4.76 1.25 4.05 -1.26 -4.45 115.26 107.33 1wof n ASN 51 Ca -0.21 -3.11 -0.41 0.00 0.45 0.00 0.00 54.58 51.30 1wof n ASN 51 Cb 0.62 -0.59 -0.03 0.00 1.23 0.00 0.00 39.78 41.01 1wof n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1wof s PRO 52 N -2.75 4.47 -0.56 1.20 0.04 -1.11 -4.99 135.00 131.31 1wof s PRO 52 Ca 0.40 2.03 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 1wof s PRO 52 Cb 0.36 -3.14 0.15 0.00 0.04 0.00 0.00 34.50 31.90 1wof s PRO 52 CO -0.08 -0.05 0.38 1.21 0.04 0.00 0.00 177.00 178.51 1wof s ASN 53 N -0.49 5.39 0.48 6.66 3.84 -1.26 -4.95 114.94 124.62 1wof s ASN 53 Ca 0.48 -2.49 0.17 0.00 0.21 0.00 0.00 52.86 51.23 1wof s ASN 53 Cb -0.36 -1.89 1.18 0.00 -0.55 0.00 0.00 41.25 39.63 1wof s ASN 53 CO 0.46 -0.47 2.02 1.88 -2.79 0.00 0.00 177.10 178.20 1wof h TYR 54 N 7.54 0.22 -0.32 0.43 -1.99 -1.98 0.77 116.97 121.64 1wof h TYR 54 Ca -0.07 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1wof h TYR 54 Cb 1.00 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 1wof h TYR 54 CO 0.67 0.11 0.19 1.49 -0.00 0.00 0.00 178.16 180.63 1wof h GLU 55 N 0.21 0.44 -0.15 4.88 4.57 -1.99 0.15 114.58 122.69 1wof h GLU 55 Ca 0.20 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.16 1wof h GLU 55 Cb 0.53 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1wof h GLU 55 CO -0.04 0.34 -0.66 0.22 -1.18 0.00 0.00 179.01 177.70 1wof h ASP 56 N 0.41 0.69 -0.35 1.04 3.58 -1.64 -2.67 116.42 117.49 1wof h ASP 56 Ca 0.12 -0.42 -0.17 0.00 0.42 0.00 0.00 57.03 56.98 1wof h ASP 56 Cb 0.02 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1wof h ASP 56 CO -0.02 1.17 -0.44 -0.07 -2.88 0.00 0.00 179.24 177.00 1wof h LEU 57 N 0.43 0.99 -0.39 2.28 3.38 -0.71 -3.30 115.31 117.99 1wof h LEU 57 Ca -0.02 -0.49 -0.17 0.00 0.09 0.00 0.00 57.88 57.29 1wof h LEU 57 Cb 1.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1wof h LEU 57 CO 0.13 1.28 -0.50 0.25 0.09 0.00 0.00 178.44 179.68 1wof h LEU 58 N 0.72 0.89 -2.77 1.67 5.85 -0.73 -3.01 115.31 117.93 1wof h LEU 58 Ca 0.04 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1wof h LEU 58 Cb 1.04 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1wof h LEU 58 CO 0.10 1.23 -0.00 -0.29 -0.34 0.00 0.00 178.44 179.14 1wof h ILE 59 N 0.63 0.18 -0.13 4.05 6.09 -1.56 0.72 117.51 127.50 1wof h ILE 59 Ca 0.03 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1wof h ILE 59 Cb 1.09 1.02 0.00 0.00 0.47 0.00 0.00 36.82 39.40 1wof h ILE 59 CO 0.11 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.73 1wof n ARG 60 N -3.33 1.51 -4.17 2.19 1.74 -1.14 -4.87 116.66 108.59 1wof n ARG 60 Ca -0.03 -0.77 -0.23 0.00 -0.77 0.00 0.00 57.85 56.04 1wof n ARG 60 Cb 0.08 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 1wof n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wof s LYS 61 N -1.84 2.67 0.47 5.56 -0.14 0.25 -5.12 119.74 121.60 1wof s LYS 61 Ca 0.29 -1.14 0.02 0.00 -1.36 0.00 0.00 55.97 53.79 1wof s LYS 61 Cb 0.15 -2.44 -0.01 0.00 -1.68 0.00 0.00 37.83 33.86 1wof s LYS 61 CO 0.23 0.41 0.07 -1.13 -0.76 0.00 0.00 175.35 174.17 1wof n SER 62 N -0.83 2.41 -0.20 2.83 3.41 -1.26 -5.01 113.62 114.97 1wof n SER 62 Ca -0.08 -3.24 -0.07 0.00 -0.26 0.00 0.00 58.87 55.22 1wof n SER 62 Cb 0.57 0.68 0.07 0.00 -0.26 0.00 0.00 64.21 65.28 1wof n SER 62 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1wof h ASN 63 N 1.43 0.99 0.00 4.04 2.35 -1.95 -2.33 115.58 120.12 1wof h ASN 63 Ca -0.38 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1wof h ASN 63 Cb 1.27 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1wof h ASN 63 CO 0.62 1.00 0.00 0.00 -1.65 0.00 0.00 177.43 177.40 1wof n HIS 64 N -4.21 0.00 0.53 1.19 1.44 -1.26 -2.33 115.22 110.58 1wof n HIS 64 Ca 0.04 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.88 1wof n HIS 64 Cb 0.30 0.00 0.36 0.00 0.12 0.00 0.00 29.99 30.77 1wof n HIS 64 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1wof h SER 65 N 0.00 0.00 -3.37 4.39 0.02 -1.81 -3.43 113.55 109.35 1wof h SER 65 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1wof h SER 65 Cb 0.00 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 1wof h SER 65 CO 0.00 0.00 -0.63 -0.36 -1.14 0.00 0.00 176.83 174.70 1wof s PHE 66 N -3.13 3.10 -0.30 3.45 0.08 -0.99 -4.32 117.98 115.88 1wof s PHE 66 Ca 0.10 -0.23 -0.05 0.00 0.12 0.00 0.00 56.93 56.87 1wof s PHE 66 Cb 0.11 -2.05 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1wof s PHE 66 CO 0.61 -0.06 0.04 -1.17 -0.10 0.00 0.00 175.22 174.54 1wof s LEU 67 N 0.64 3.85 -0.16 -0.37 2.96 0.11 -4.71 118.68 120.99 1wof s LEU 67 Ca 0.00 -0.98 -0.04 0.00 -0.22 0.00 0.00 54.13 52.89 1wof s LEU 67 Cb -0.14 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1wof s LEU 67 CO 0.02 -0.23 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.11 1wof s VAL 68 N 1.38 3.98 -0.05 1.68 1.01 -1.26 -0.31 120.40 126.83 1wof s VAL 68 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1wof s VAL 68 Cb -0.18 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1wof s VAL 68 CO 0.00 0.48 -0.09 -1.10 0.00 0.00 0.00 175.10 174.40 1wof s GLN 69 N 0.42 1.34 -0.43 2.72 -0.21 0.36 -0.49 119.66 123.37 1wof s GLN 69 Ca -0.03 -0.30 -0.07 0.00 0.02 0.00 0.00 55.36 54.98 1wof s GLN 69 Cb -0.14 -1.17 0.10 0.00 1.00 0.00 0.00 33.01 32.80 1wof s GLN 69 CO 0.03 -0.00 0.26 0.00 -2.12 0.00 0.00 175.29 173.45 1wof s ALA 70 N 0.71 3.27 0.00 6.09 0.00 0.12 -0.96 121.76 130.98 1wof s ALA 70 Ca -0.13 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.48 1wof s ALA 70 Cb -0.15 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.36 1wof s ALA 70 CO 0.02 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.44 1wof n GLY 71 N 4.82 2.77 1.43 0.00 0.00 -1.26 -1.58 105.19 111.38 1wof n GLY 71 Ca -0.08 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.78 1wof n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wof n ASN 72 N 7.29 4.84 -4.36 1.61 0.23 -1.26 -4.93 115.26 118.68 1wof n ASN 72 Ca 0.00 -2.88 -0.33 0.00 -0.53 0.00 0.00 54.58 50.84 1wof n ASN 72 Cb 0.00 -0.60 -0.14 0.00 -2.08 0.00 0.00 39.78 36.95 1wof n ASN 72 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1wof s VAL 73 N -2.63 3.11 0.10 3.53 1.01 -0.61 -5.10 120.40 119.81 1wof s VAL 73 Ca 0.48 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1wof s VAL 73 Cb 0.37 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 1wof s VAL 73 CO 0.14 0.51 0.92 -1.58 0.00 0.00 0.00 175.10 175.09 1wof s GLN 74 N 0.56 4.66 -0.24 2.72 0.74 -1.26 -0.70 119.66 126.14 1wof s GLN 74 Ca -0.07 1.37 -0.08 0.00 0.05 0.00 0.00 55.36 56.63 1wof s GLN 74 Cb -0.15 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1wof s GLN 74 CO 0.03 0.24 0.08 -0.51 -0.55 0.00 0.00 175.29 174.58 1wof s LEU 75 N -0.07 3.53 -0.05 3.68 1.02 0.36 -4.95 118.68 122.20 1wof s LEU 75 Ca 0.45 -0.15 -0.30 0.00 0.02 0.00 0.00 54.13 54.15 1wof s LEU 75 Cb -0.23 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 1wof s LEU 75 CO 0.28 -0.00 1.29 -0.60 0.02 0.00 0.00 176.35 177.34 1wof s ARG 76 N 1.42 4.31 -0.21 1.70 3.52 -1.26 -4.09 118.95 124.34 1wof s ARG 76 Ca 0.06 1.78 -0.26 0.00 -0.13 0.00 0.00 55.73 57.18 1wof s ARG 76 Cb -0.15 -3.60 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 1wof s ARG 76 CO 0.04 -0.53 0.88 0.08 -0.81 0.00 0.00 175.30 174.96 1wof s VAL 77 N 2.46 4.82 -1.09 7.11 1.01 -1.26 -0.61 120.40 132.84 1wof s VAL 77 Ca 0.59 1.70 0.11 0.00 0.00 0.00 0.00 61.98 64.38 1wof s VAL 77 Cb -0.27 -4.17 0.25 0.00 0.00 0.00 0.00 36.38 32.19 1wof s VAL 77 CO 0.23 -0.05 1.15 2.30 0.00 0.00 0.00 175.10 178.72 1wof n ILE 78 N 5.04 0.71 -3.62 2.22 -5.35 0.11 -4.65 119.36 113.82 1wof n ILE 78 Ca 0.06 -0.86 -0.04 0.00 -0.27 0.00 0.00 62.75 61.65 1wof n ILE 78 Cb 0.48 0.71 -0.03 0.00 -1.74 0.00 0.00 39.64 39.06 1wof n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1wof s GLY 79 N -0.99 -0.13 -0.03 3.28 0.00 -1.14 -4.93 107.32 103.38 1wof s GLY 79 Ca 0.21 2.15 -0.21 0.00 0.00 0.00 0.00 44.72 46.87 1wof s GLY 79 CO 0.16 0.80 0.44 -2.38 0.00 0.00 0.00 173.10 172.12 1wof s HIS 80 N -1.72 -0.36 -0.07 1.90 -3.43 -1.26 -0.58 115.29 109.77 1wof s HIS 80 Ca 0.09 0.59 -0.31 0.00 -0.80 0.00 0.00 55.06 54.63 1wof s HIS 80 Cb -0.01 0.21 0.08 0.00 -1.43 0.00 0.00 32.58 31.43 1wof s HIS 80 CO -0.05 -0.46 0.75 -1.54 -2.00 0.00 0.00 174.74 171.44 1wof s SER 81 N -1.25 -0.59 -0.15 7.38 1.04 -0.84 -4.99 113.70 114.29 1wof s SER 81 Ca -0.12 0.63 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 1wof s SER 81 Cb -0.03 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1wof s SER 81 CO 0.06 -0.56 0.08 -0.32 0.98 0.00 0.00 173.24 173.48 1wof s MET 82 N -1.23 3.72 -0.26 4.02 1.75 -1.26 0.02 119.30 126.06 1wof s MET 82 Ca -0.09 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.07 1wof s MET 82 Cb -0.00 -3.17 0.07 0.00 2.84 0.00 0.00 34.83 34.58 1wof s MET 82 CO 0.08 0.46 -0.00 -1.14 -0.65 0.00 0.00 175.02 173.77 1wof s GLN 83 N -0.16 1.34 5.16 4.11 0.74 -0.36 -4.98 119.66 125.52 1wof s GLN 83 Ca 0.08 -1.11 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1wof s GLN 83 Cb -0.12 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.46 1wof s GLN 83 CO 0.01 -0.73 0.00 0.09 -0.55 0.00 0.00 175.29 174.11 1wof n ASN 84 N 4.67 0.00 -1.07 6.67 3.02 -1.26 -1.18 115.26 126.11 1wof n ASN 84 Ca -0.07 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.54 1wof n ASN 84 Cb 0.43 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.83 1wof n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wof s LEU 86 N -1.29 2.78 -0.03 0.00 1.43 -0.32 -1.54 118.68 119.70 1wof s LEU 86 Ca 0.32 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.39 1wof s LEU 86 Cb 0.20 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 1wof s LEU 86 CO 0.17 -0.14 -0.17 -0.76 0.23 0.00 0.00 176.35 175.68 1wof s LEU 87 N -3.61 2.56 -0.33 1.79 1.43 -0.02 -1.22 118.68 119.28 1wof s LEU 87 Ca 0.32 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1wof s LEU 87 Cb -0.01 -1.50 0.08 0.00 0.03 0.00 0.00 46.19 44.79 1wof s LEU 87 CO 0.17 0.33 0.04 -0.13 0.23 0.00 0.00 176.35 176.99 1wof s ARG 88 N -0.79 2.02 -0.28 1.70 0.52 0.10 -2.57 118.95 119.66 1wof s ARG 88 Ca 0.12 -1.59 -0.12 0.00 -0.52 0.00 0.00 55.73 53.61 1wof s ARG 88 Cb -0.10 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 1wof s ARG 88 CO 0.01 -0.81 0.25 -0.51 0.02 0.00 0.00 175.30 174.26 1wof s LEU 89 N 1.09 4.03 -0.02 2.53 1.43 -0.06 -1.99 118.68 125.69 1wof s LEU 89 Ca 0.02 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.96 1wof s LEU 89 Cb -0.20 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 1wof s LEU 89 CO -0.05 -0.09 0.78 -0.54 0.23 0.00 0.00 176.35 176.68 1wof s LYS 90 N 1.85 4.48 0.32 1.70 -0.14 0.25 0.07 119.74 128.27 1wof s LYS 90 Ca 0.10 1.04 0.09 0.00 -1.36 0.00 0.00 55.97 55.84 1wof s LYS 90 Cb -0.16 -3.43 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 1wof s LYS 90 CO 0.11 0.09 0.10 0.14 -0.76 0.00 0.00 175.35 175.02 1wof s VAL 91 N 0.64 3.13 -2.03 3.17 -7.23 -0.15 0.09 120.40 118.01 1wof s VAL 91 Ca 0.41 -1.77 0.16 0.00 -1.81 0.00 0.00 61.98 58.97 1wof s VAL 91 Cb -0.19 -2.94 0.43 0.00 0.56 0.00 0.00 36.38 34.23 1wof s VAL 91 CO 0.21 -0.23 1.57 -0.90 -0.31 0.00 0.00 175.10 175.44 1wof n ASP 92 N -1.07 0.23 -3.81 4.85 5.75 0.21 -4.76 116.55 117.96 1wof n ASP 92 Ca -0.04 -1.56 -0.12 0.00 -0.01 0.00 0.00 54.79 53.05 1wof n ASP 92 Cb 0.61 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.57 1wof n ASP 92 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1wof s THR 93 N -1.96 0.02 0.22 2.12 -1.32 -1.26 -5.03 115.64 108.42 1wof s THR 93 Ca 0.24 -0.20 -0.18 0.00 -1.21 0.00 0.00 61.69 60.34 1wof s THR 93 Cb 0.11 -0.37 -0.08 0.00 -1.51 0.00 0.00 72.50 70.65 1wof s THR 93 CO 0.18 -0.11 0.68 -0.55 -2.21 0.00 0.00 174.62 172.62 1wof s SER 94 N -0.35 6.96 -0.53 8.08 0.15 -1.26 -4.56 113.70 122.19 1wof s SER 94 Ca -0.04 1.31 -0.27 0.00 0.70 0.00 0.00 55.95 57.65 1wof s SER 94 Cb -0.03 -2.38 0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1wof s SER 94 CO 0.01 0.02 1.07 0.21 1.20 0.00 0.00 173.24 175.75 1wof s ASN 95 N -1.76 6.47 0.34 5.45 2.47 0.05 -4.90 114.94 123.06 1wof s ASN 95 Ca 0.43 0.08 0.25 0.00 0.42 0.00 0.00 52.86 54.05 1wof s ASN 95 Cb -0.15 -2.51 1.20 0.00 -1.45 0.00 0.00 41.25 38.34 1wof s ASN 95 CO 0.20 -1.29 1.77 1.55 -3.72 0.00 0.00 177.10 175.61 1wof h PRO 96 N 9.34 0.00 -0.20 0.43 0.13 -1.94 -2.04 132.00 137.71 1wof h PRO 96 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1wof h PRO 96 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1wof h PRO 96 CO 1.12 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.52 1wof n LYS 97 N -2.39 1.80 -1.70 0.86 5.02 -1.26 -4.91 118.16 115.58 1wof n LYS 97 Ca 0.00 -1.21 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 1wof n LYS 97 Cb 0.16 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1wof n LYS 97 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wof s THR 98 N -1.75 3.01 0.74 -0.18 2.01 -0.77 -4.81 115.64 113.90 1wof s THR 98 Ca 0.32 0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 1wof s THR 98 Cb 0.17 -3.05 0.10 0.00 0.01 0.00 0.00 72.50 69.74 1wof s THR 98 CO 0.26 -0.01 1.04 -2.16 -0.69 0.00 0.00 174.62 173.06 1wof s PRO 99 N 4.26 1.79 0.25 4.92 0.04 -1.26 -5.01 135.00 140.00 1wof s PRO 99 Ca 0.87 -0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 1wof s PRO 99 Cb -0.42 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.83 1wof s PRO 99 CO 0.40 -1.46 1.29 0.15 0.04 0.00 0.00 177.00 177.43 1wof s LYS 100 N -5.28 4.40 0.28 4.56 -0.14 -1.26 -4.92 119.74 117.37 1wof s LYS 100 Ca 0.64 2.10 -0.12 0.00 -1.36 0.00 0.00 55.97 57.23 1wof s LYS 100 Cb -0.08 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 1wof s LYS 100 CO 0.45 -0.19 0.53 1.52 -0.76 0.00 0.00 175.35 176.90 1wof s TYR 101 N -0.44 0.41 0.08 3.18 -0.85 -1.26 -0.90 117.35 117.57 1wof s TYR 101 Ca 0.53 -0.78 -0.22 0.00 -0.52 0.00 0.00 57.07 56.08 1wof s TYR 101 Cb -0.37 0.25 0.05 0.00 0.38 0.00 0.00 41.96 42.27 1wof s TYR 101 CO 0.44 -1.09 0.52 -1.59 -1.52 0.00 0.00 175.55 172.30 1wof s LYS 102 N -3.69 1.09 -0.24 -3.49 -2.85 -0.40 -4.90 119.74 105.26 1wof s LYS 102 Ca 0.22 -0.35 -0.09 0.00 -1.00 0.00 0.00 55.97 54.75 1wof s LYS 102 Cb -0.01 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.21 1wof s LYS 102 CO 0.11 -0.42 0.12 -0.06 0.10 0.00 0.00 175.35 175.20 1wof s PHE 103 N -2.91 3.19 0.02 1.78 2.99 -1.26 -0.97 117.98 120.81 1wof s PHE 103 Ca -0.03 -0.07 0.05 0.00 0.00 0.00 0.00 56.93 56.88 1wof s PHE 103 Cb -0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 43.02 40.74 1wof s PHE 103 CO -0.05 -0.14 -0.15 0.14 -0.00 0.00 0.00 175.22 175.01 1wof s VAL 104 N 1.35 1.19 -0.39 -0.44 -7.23 -0.21 -4.95 120.40 109.72 1wof s VAL 104 Ca 0.06 -0.84 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 1wof s VAL 104 Cb -0.15 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1wof s VAL 104 CO 0.05 0.18 0.26 -0.60 -0.31 0.00 0.00 175.10 174.69 1wof s ARG 105 N -0.76 3.02 0.67 4.82 3.52 -1.26 -3.96 118.95 124.99 1wof s ARG 105 Ca 0.04 -0.97 -0.11 0.00 -0.13 0.00 0.00 55.73 54.56 1wof s ARG 105 Cb -0.07 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1wof s ARG 105 CO 0.00 -0.68 1.05 0.96 -0.81 0.00 0.00 175.30 175.83 1wof s ILE 106 N 1.65 3.81 0.14 4.11 -4.36 -1.26 -5.08 121.20 120.21 1wof s ILE 106 Ca 0.04 0.51 -0.06 0.00 -0.26 0.00 0.00 60.65 60.88 1wof s ILE 106 Cb -0.19 -3.57 -0.06 0.00 1.25 0.00 0.00 42.46 39.89 1wof s ILE 106 CO 0.09 -0.73 0.39 -1.10 0.24 0.00 0.00 174.94 173.83 1wof s GLN 107 N -5.26 3.65 0.35 0.37 -1.52 -1.26 -5.04 119.66 110.95 1wof s GLN 107 Ca 0.57 -0.02 -0.28 0.00 -1.95 0.00 0.00 55.36 53.68 1wof s GLN 107 Cb -0.11 -2.85 -0.12 0.00 -0.22 0.00 0.00 33.01 29.71 1wof s GLN 107 CO 0.51 0.47 1.26 -2.30 -0.25 0.00 0.00 175.29 174.98 1wof n PRO 108 N 0.20 2.02 0.00 2.91 -0.02 -1.26 -1.59 135.00 137.26 1wof n PRO 108 Ca -0.03 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1wof n PRO 108 Cb 0.52 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1wof n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wof n GLY 109 N 0.82 3.27 3.83 -1.23 0.00 0.18 -4.89 105.19 107.17 1wof n GLY 109 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1wof n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wof s GLN 110 N -0.59 3.60 0.31 1.61 2.00 -0.62 -4.70 119.66 121.27 1wof s GLN 110 Ca 0.00 1.00 0.08 0.00 -2.00 0.00 0.00 55.36 54.44 1wof s GLN 110 Cb 0.00 -2.08 -0.03 0.00 0.80 0.00 0.00 33.01 31.70 1wof s GLN 110 CO 0.00 -0.57 0.22 0.95 -0.50 0.00 0.00 175.29 175.39 1wof s THR 111 N -2.70 3.64 0.11 -0.34 -4.23 -1.26 -1.18 115.64 109.68 1wof s THR 111 Ca 0.60 -1.48 -0.26 0.00 -1.18 0.00 0.00 61.69 59.37 1wof s THR 111 Cb -0.12 -3.17 0.07 0.00 1.34 0.00 0.00 72.50 70.62 1wof s THR 111 CO 0.39 -0.23 0.83 0.72 -0.54 0.00 0.00 174.62 175.79 1wof s PHE 112 N -2.29 -0.31 -0.09 3.99 -0.12 0.15 -4.92 117.98 114.39 1wof s PHE 112 Ca 0.38 0.07 -0.08 0.00 -0.05 0.00 0.00 56.93 57.24 1wof s PHE 112 Cb -0.06 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1wof s PHE 112 CO 0.25 -0.77 0.20 -1.12 -0.05 0.00 0.00 175.22 173.73 1wof s SER 113 N -2.72 6.48 -0.12 1.98 0.01 0.74 -1.07 113.70 119.00 1wof s SER 113 Ca 0.07 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.91 1wof s SER 113 Cb -0.02 -2.11 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 1wof s SER 113 CO -0.05 0.39 -0.16 -0.69 0.41 0.00 0.00 173.24 173.14 1wof s VAL 114 N -1.05 2.82 -0.49 3.43 1.01 0.34 0.28 120.40 126.74 1wof s VAL 114 Ca 0.17 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1wof s VAL 114 Cb -0.13 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.21 1wof s VAL 114 CO 0.06 0.54 0.36 -0.22 0.00 0.00 0.00 175.10 175.84 1wof s LEU 115 N 0.29 5.73 0.02 3.92 2.96 -0.91 -1.95 118.68 128.74 1wof s LEU 115 Ca -0.12 -1.96 -0.30 0.00 -0.22 0.00 0.00 54.13 51.52 1wof s LEU 115 Cb -0.16 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.46 1wof s LEU 115 CO 0.06 -0.69 1.34 0.00 -1.32 0.00 0.00 176.35 175.74 1wof s ALA 116 N 1.29 3.54 0.16 5.97 0.00 -0.36 -4.02 121.76 128.33 1wof s ALA 116 Ca 0.06 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.96 1wof s ALA 116 Cb -0.26 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1wof s ALA 116 CO -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 175.76 174.89 1wof s TYR 118 N -3.19 -0.37 -1.46 0.00 2.02 -0.41 -4.13 117.35 109.80 1wof s TYR 118 Ca 0.17 0.87 -0.05 0.00 -0.37 0.00 0.00 57.07 57.69 1wof s TYR 118 Cb 0.01 0.06 0.02 0.00 -0.40 0.00 0.00 41.96 41.66 1wof s TYR 118 CO 0.02 -0.26 0.41 0.09 -1.57 0.00 0.00 175.55 174.24 1wof n ASN 119 N 4.39 -5.21 0.00 2.29 4.13 -1.26 -1.24 115.26 118.36 1wof n ASN 119 Ca -0.23 -0.21 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1wof n ASN 119 Cb 0.53 -4.27 0.00 0.00 -1.54 0.00 0.00 39.78 34.50 1wof n ASN 119 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wof n GLY 120 N -1.27 0.45 3.37 7.41 0.00 -1.26 -4.61 105.19 109.29 1wof n GLY 120 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1wof n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wof s SER 121 N -2.10 3.47 0.22 1.61 0.01 -0.38 -4.23 113.70 112.30 1wof s SER 121 Ca 0.00 -0.36 -0.31 0.00 1.31 0.00 0.00 55.95 56.59 1wof s SER 121 Cb 0.00 -0.64 -0.10 0.00 0.21 0.00 0.00 66.02 65.49 1wof s SER 121 CO 0.00 0.32 1.53 -2.84 0.41 0.00 0.00 173.24 172.65 1wof s PRO 122 N -0.57 4.22 -0.13 12.44 0.02 -1.26 -1.29 135.00 148.42 1wof s PRO 122 Ca 0.08 2.39 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 1wof s PRO 122 Cb -0.11 -3.11 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 1wof s PRO 122 CO 0.00 -0.54 -0.15 0.45 -0.33 0.00 0.00 177.00 176.43 1wof n SER 123 N 2.96 1.50 -3.65 2.53 2.88 0.01 -4.93 113.62 114.92 1wof n SER 123 Ca 0.10 0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.73 1wof n SER 123 Cb 0.39 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1wof n SER 123 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wof s GLY 124 N -5.23 -0.35 0.01 0.46 0.00 -1.17 -5.02 107.32 96.02 1wof s GLY 124 Ca -0.18 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.24 1wof s GLY 124 CO 0.24 0.15 -0.13 0.54 0.00 0.00 0.00 173.10 173.90 1wof s VAL 125 N -2.70 1.02 0.07 1.40 0.11 -1.26 -1.23 120.40 117.81 1wof s VAL 125 Ca 0.13 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.28 1wof s VAL 125 Cb 0.02 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1wof s VAL 125 CO -0.03 0.15 0.36 -0.72 -3.33 0.00 0.00 175.10 171.53 1wof s TYR 126 N -0.55 -0.17 0.00 1.54 -0.85 -0.82 -4.96 117.35 111.53 1wof s TYR 126 Ca 0.03 0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 56.55 1wof s TYR 126 Cb -0.06 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.41 1wof s TYR 126 CO 0.00 -0.58 0.24 -1.14 -1.52 0.00 0.00 175.55 172.55 1wof s GLN 127 N -2.90 3.53 0.33 -3.49 2.00 -1.26 -0.50 119.66 117.36 1wof s GLN 127 Ca -0.03 -0.16 -0.15 0.00 -2.00 0.00 0.00 55.36 53.03 1wof s GLN 127 Cb 0.00 -3.08 0.03 0.00 0.80 0.00 0.00 33.01 30.76 1wof s GLN 127 CO -0.05 0.65 0.67 0.00 -0.50 0.00 0.00 175.29 176.05 1wof s ALA 129 N -3.17 2.22 -0.12 0.00 0.00 -1.26 -0.67 121.76 118.75 1wof s ALA 129 Ca 0.18 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1wof s ALA 129 Cb -0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1wof s ALA 129 CO 0.11 0.52 1.32 1.41 0.00 0.00 0.00 175.76 179.12 1wof s MET 130 N -1.30 4.24 0.72 0.00 0.00 -0.32 -4.60 119.30 118.04 1wof s MET 130 Ca 0.11 1.75 -0.14 0.00 0.00 0.00 0.00 55.69 57.42 1wof s MET 130 Cb -0.10 -3.75 0.03 0.00 0.00 0.00 0.00 34.83 31.01 1wof s MET 130 CO 0.02 -0.68 1.14 1.03 0.00 0.00 0.00 175.02 176.53 1wof s ARG 131 N 3.32 2.38 0.53 4.11 1.81 -0.45 0.51 118.95 131.15 1wof s ARG 131 Ca 0.58 1.48 0.23 0.00 -1.72 0.00 0.00 55.73 56.30 1wof s ARG 131 Cb -0.24 -1.89 1.37 0.00 -0.45 0.00 0.00 34.95 33.74 1wof s ARG 131 CO 0.18 -1.59 2.03 -1.35 -0.68 0.00 0.00 175.30 173.90 1wof h PRO 132 N -0.38 0.00 -0.46 3.54 0.11 -1.88 0.11 132.00 133.04 1wof h PRO 132 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wof h PRO 132 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1wof h PRO 132 CO 0.51 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.57 1wof n ASN 133 N -4.41 2.13 0.00 -2.05 6.94 -1.26 -4.91 115.26 111.70 1wof n ASN 133 Ca 0.07 -2.11 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1wof n ASN 133 Cb 0.48 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.58 1wof n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1wof n HIS 134 N 0.43 0.00 -2.45 -2.53 8.25 0.38 -4.59 115.22 114.71 1wof n HIS 134 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.32 1wof n HIS 134 Cb 0.38 -0.15 0.04 0.00 1.12 0.00 0.00 29.99 31.38 1wof n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wof s THR 135 N -3.49 3.41 -0.10 1.59 -4.23 -1.26 -4.66 115.64 106.89 1wof s THR 135 Ca 0.00 -0.14 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1wof s THR 135 Cb 0.00 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.49 1wof s THR 135 CO 0.00 -0.35 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.87 1wof s ILE 136 N -2.97 2.02 -1.24 2.99 -1.09 0.39 -1.35 121.20 119.96 1wof s ILE 136 Ca 0.54 -0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 57.88 1wof s ILE 136 Cb -0.10 -1.75 0.19 0.00 -1.58 0.00 0.00 42.46 39.21 1wof s ILE 136 CO 0.44 0.55 1.77 0.29 -1.23 0.00 0.00 174.94 176.76 1wof n LYS 137 N 3.59 3.73 -0.73 2.79 5.02 -1.26 -0.50 118.16 130.80 1wof n LYS 137 Ca -0.19 -3.72 0.00 0.00 -2.02 0.00 0.00 58.31 52.38 1wof n LYS 137 Cb 0.53 -2.87 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1wof n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wof n GLY 138 N 2.67 1.30 2.71 0.72 0.00 -1.26 -5.02 105.19 106.31 1wof n GLY 138 Ca 0.37 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 1wof n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wof s SER 139 N -1.00 3.76 -0.02 1.61 0.15 -1.26 -4.93 113.70 112.02 1wof s SER 139 Ca 0.00 -2.20 0.04 0.00 0.70 0.00 0.00 55.95 54.49 1wof s SER 139 Cb 0.00 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1wof s SER 139 CO 0.00 -0.33 -0.14 -0.36 1.20 0.00 0.00 173.24 173.61 1wof s PHE 140 N 0.91 1.31 0.33 3.44 0.40 -1.26 -5.01 117.98 118.09 1wof s PHE 140 Ca 0.14 -0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 1wof s PHE 140 Cb -0.22 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1wof s PHE 140 CO -0.09 -0.05 0.18 -0.51 0.70 0.00 0.00 175.22 175.45 1wof s LEU 141 N -0.24 3.41 0.61 -0.37 1.43 -1.26 -5.04 118.68 117.21 1wof s LEU 141 Ca 0.04 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.31 1wof s LEU 141 Cb -0.07 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1wof s LEU 141 CO -0.00 -0.27 1.29 0.59 0.23 0.00 0.00 176.35 178.19 1wof n ASN 142 N -1.20 2.19 0.00 2.29 4.13 -1.26 -2.12 115.26 119.29 1wof n ASN 142 Ca -0.03 0.88 0.00 0.00 1.68 0.00 0.00 54.58 57.11 1wof n ASN 142 Cb 0.60 -1.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 1wof n ASN 142 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wof n GLY 143 N 0.90 0.40 0.30 7.41 0.00 -1.26 -4.95 105.19 107.98 1wof n GLY 143 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 1wof n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wof n SER 144 N 0.00 1.22 -4.76 1.61 3.41 -0.90 -4.23 113.62 109.97 1wof n SER 144 Ca 0.00 -1.02 -0.39 0.00 -0.26 0.00 0.00 58.87 57.20 1wof n SER 144 Cb 0.00 0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.15 1wof n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wof n GLY 146 N 0.62 2.46 3.76 0.00 0.00 -0.84 -1.00 105.19 110.19 1wof n GLY 146 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1wof n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wof s SER 147 N -1.38 5.46 0.25 1.61 0.01 -0.82 -4.49 113.70 114.34 1wof s SER 147 Ca 0.00 2.56 0.11 0.00 1.31 0.00 0.00 55.95 59.94 1wof s SER 147 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1wof s SER 147 CO 0.00 -1.42 -0.21 0.68 0.41 0.00 0.00 173.24 172.70 1wof s VAL 148 N -1.43 2.38 0.07 3.43 -7.23 -1.26 -0.60 120.40 115.77 1wof s VAL 148 Ca 0.71 -2.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1wof s VAL 148 Cb -0.35 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1wof s VAL 148 CO 0.41 -0.34 -0.05 -0.83 -0.31 0.00 0.00 175.10 173.97 1wof s GLY 149 N -3.27 1.83 0.25 2.32 0.00 0.10 -2.14 107.32 106.42 1wof s GLY 149 Ca 0.27 -1.14 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 1wof s GLY 149 CO 0.13 -1.09 0.82 -0.11 0.00 0.00 0.00 173.10 172.85 1wof s PHE 150 N -1.20 -0.12 0.08 1.90 -0.12 0.14 -1.72 117.98 116.95 1wof s PHE 150 Ca 0.22 -0.32 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1wof s PHE 150 Cb -0.11 0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 42.95 1wof s PHE 150 CO 0.14 -1.14 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.27 1wof s ASN 151 N -2.97 1.30 -0.09 1.98 0.01 -0.72 -0.19 114.94 114.27 1wof s ASN 151 Ca 0.13 -0.77 0.00 0.00 -0.71 0.00 0.00 52.86 51.51 1wof s ASN 151 Cb -0.04 0.02 0.02 0.00 0.41 0.00 0.00 41.25 41.66 1wof s ASN 151 CO 0.06 -0.26 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.69 1wof s ILE 152 N -2.29 0.84 -0.36 0.60 1.01 -1.26 -0.62 121.20 119.12 1wof s ILE 152 Ca 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1wof s ILE 152 Cb -0.04 -0.87 0.09 0.00 0.01 0.00 0.00 42.46 41.65 1wof s ILE 152 CO -0.00 0.32 0.10 -0.62 0.00 0.00 0.00 174.94 174.74 1wof s ASP 153 N 1.47 5.02 1.33 3.58 -1.08 -0.46 -4.96 116.67 121.57 1wof s ASP 153 Ca -0.01 -1.80 0.00 0.00 -0.52 0.00 0.00 52.55 50.23 1wof s ASP 153 Cb -0.13 -1.74 0.00 0.00 -1.46 0.00 0.00 42.92 39.58 1wof s ASP 153 CO -0.04 -0.41 0.00 -1.22 0.52 0.00 0.00 175.17 174.01 1wof n TYR 154 N 4.53 0.00 0.22 -5.34 4.01 -1.26 -1.73 117.16 117.59 1wof n TYR 154 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 1wof n TYR 154 Cb 0.42 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.53 1wof n TYR 154 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1wof n ASP 155 N 10.18 2.19 -4.58 7.72 5.75 -1.26 -4.98 116.55 131.58 1wof n ASP 155 Ca 0.00 -1.62 -0.36 0.00 -0.01 0.00 0.00 54.79 52.80 1wof n ASP 155 Cb 0.00 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 39.91 1wof n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wof s VAL 157 N 1.13 5.05 -0.48 0.00 1.01 -0.07 -1.36 120.40 125.67 1wof s VAL 157 Ca 0.06 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 62.85 1wof s VAL 157 Cb -0.14 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.46 1wof s VAL 157 CO 0.04 0.08 0.40 -0.44 0.00 0.00 0.00 175.10 175.18 1wof s SER 158 N 1.49 6.11 -0.00 3.32 0.01 0.21 -1.27 113.70 123.57 1wof s SER 158 Ca 0.23 -1.42 -0.30 0.00 1.31 0.00 0.00 55.95 55.77 1wof s SER 158 Cb -0.16 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1wof s SER 158 CO 0.09 -0.67 0.99 -0.36 0.41 0.00 0.00 173.24 173.69 1wof s PHE 159 N 1.62 3.65 0.00 2.43 0.08 -0.14 -1.76 117.98 123.85 1wof s PHE 159 Ca 0.04 1.68 0.00 0.00 0.12 0.00 0.00 56.93 58.77 1wof s PHE 159 Cb -0.25 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1wof s PHE 159 CO 0.06 -0.06 0.07 0.00 -0.10 0.00 0.00 175.22 175.18 1wof s TYR 161 N -0.45 -0.46 -0.03 0.00 5.04 -1.12 -4.30 117.35 116.03 1wof s TYR 161 Ca 0.00 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1wof s TYR 161 Cb 0.00 0.22 0.03 0.00 0.35 0.00 0.00 41.96 42.56 1wof s TYR 161 CO 0.00 -0.41 -0.00 1.41 -1.34 0.00 0.00 175.55 175.21 1wof s MET 162 N -0.69 0.38 0.11 4.97 -2.45 -0.38 0.02 119.30 121.25 1wof s MET 162 Ca -0.08 0.06 -0.30 0.00 -1.25 0.00 0.00 55.69 54.12 1wof s MET 162 Cb -0.03 -0.55 -0.06 0.00 1.25 0.00 0.00 34.83 35.44 1wof s MET 162 CO 0.05 -0.14 1.13 -1.58 1.05 0.00 0.00 175.02 175.53 1wof s HIS 163 N 1.05 3.53 0.00 4.11 2.46 0.23 -2.12 115.29 124.55 1wof s HIS 163 Ca -0.09 1.47 0.00 0.00 0.47 0.00 0.00 55.06 56.91 1wof s HIS 163 Cb -0.14 -3.33 0.00 0.00 -0.13 0.00 0.00 32.58 28.99 1wof s HIS 163 CO -0.02 -0.86 0.00 0.72 -2.47 0.00 0.00 174.74 172.11 1wof n HIS 164 N 3.25 0.00 -3.83 3.88 8.25 -1.01 -1.98 115.22 123.78 1wof n HIS 164 Ca 0.06 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.46 1wof n HIS 164 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.59 1wof n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wof s MET 165 N -1.82 1.80 -0.06 -0.41 0.23 -0.65 -4.94 119.30 113.44 1wof s MET 165 Ca 0.00 -1.11 0.04 0.00 -1.03 0.00 0.00 55.69 53.59 1wof s MET 165 Cb 0.00 0.53 -0.00 0.00 -1.53 0.00 0.00 34.83 33.83 1wof s MET 165 CO 0.00 -0.84 -0.20 -2.00 -2.03 0.00 0.00 175.02 169.95 1wof s GLU 166 N -2.68 2.28 0.51 3.16 2.12 -1.26 -0.72 118.70 122.12 1wof s GLU 166 Ca 0.16 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 54.66 1wof s GLU 166 Cb -0.04 -1.88 -0.05 0.00 0.26 0.00 0.00 34.13 32.42 1wof s GLU 166 CO 0.08 0.24 0.89 -0.51 -0.54 0.00 0.00 175.26 175.41 1wof s LEU 167 N 0.14 3.54 0.47 2.70 1.02 0.11 -4.94 118.68 121.73 1wof s LEU 167 Ca -0.09 1.22 0.26 0.00 0.02 0.00 0.00 54.13 55.55 1wof s LEU 167 Cb -0.14 -4.19 1.31 0.00 0.02 0.00 0.00 46.19 43.18 1wof s LEU 167 CO 0.04 -0.63 1.81 -0.65 0.02 0.00 0.00 176.35 176.94 1wof h PRO 168 N 0.37 0.20 0.00 1.29 0.11 -1.88 0.27 132.00 132.36 1wof h PRO 168 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1wof h PRO 168 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wof h PRO 168 CO 0.62 0.13 0.00 -2.37 -0.21 0.00 0.00 178.00 176.17 1wof n THR 169 N -4.42 0.24 -0.19 -1.15 5.66 -1.26 -4.88 114.28 108.28 1wof n THR 169 Ca 0.24 0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1wof n THR 169 Cb 1.00 -0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 1wof n THR 169 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wof n GLY 170 N 0.61 0.61 3.97 1.09 0.00 0.93 -5.07 105.19 107.33 1wof n GLY 170 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1wof n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wof s VAL 171 N -2.40 2.98 0.18 1.61 -7.23 -1.25 -4.84 120.40 109.45 1wof s VAL 171 Ca 0.00 -0.68 0.09 0.00 -1.81 0.00 0.00 61.98 59.58 1wof s VAL 171 Cb 0.00 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1wof s VAL 171 CO 0.00 -0.06 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.64 1wof s HIS 172 N -2.66 2.65 0.08 2.82 0.09 0.34 0.09 115.29 118.70 1wof s HIS 172 Ca 0.55 -0.22 0.04 0.00 -0.00 0.00 0.00 55.06 55.43 1wof s HIS 172 Cb -0.10 -1.29 -0.03 0.00 -0.00 0.00 0.00 32.58 31.16 1wof s HIS 172 CO 0.37 0.52 -0.10 0.00 -0.00 0.00 0.00 174.74 175.53 1wof s ALA 173 N -1.74 0.98 0.00 -1.40 0.00 0.10 -0.46 121.76 119.24 1wof s ALA 173 Ca 0.25 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1wof s ALA 173 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1wof s ALA 173 CO 0.16 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1wof n GLY 174 N 0.98 1.87 3.57 0.00 0.00 -1.26 -1.64 105.19 108.72 1wof n GLY 174 Ca -0.19 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 1wof n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wof s THR 175 N -2.87 1.26 0.69 2.61 -4.23 -0.90 -0.74 115.64 111.46 1wof s THR 175 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1wof s THR 175 Cb 0.00 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1wof s THR 175 CO 0.00 0.00 0.94 -0.90 -0.54 0.00 0.00 174.62 174.12 1wof n ASP 176 N -1.01 0.62 -0.05 3.99 5.68 -0.37 -1.26 116.55 124.15 1wof n ASP 176 Ca -0.07 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 1wof n ASP 176 Cb 0.66 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1wof n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wof n LEU 177 N 0.00 0.09 -0.71 -2.12 7.99 -1.26 -1.29 117.00 119.69 1wof n LEU 177 Ca 0.13 -0.04 0.08 0.00 -0.01 0.00 0.00 56.01 56.17 1wof n LEU 177 Cb 0.47 -0.04 0.11 0.00 -0.11 0.00 0.00 43.42 43.85 1wof n LEU 177 CO 0.33 0.02 0.56 -0.62 -1.51 0.00 0.00 177.39 176.17 1wof n GLU 178 N -0.44 1.70 -0.90 3.23 1.02 -1.26 -4.97 120.64 119.01 1wof n GLU 178 Ca 0.00 -1.70 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 1wof n GLU 178 Cb 0.02 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1wof n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wof n GLY 179 N 0.90 0.53 3.64 0.62 0.00 -0.41 -4.32 105.19 106.14 1wof n GLY 179 Ca 0.11 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1wof n GLY 179 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wof s LYS 180 N -0.37 4.10 0.56 1.61 1.02 -1.26 -0.97 119.74 124.44 1wof s LYS 180 Ca 0.00 0.18 -0.21 0.00 0.02 0.00 0.00 55.97 55.96 1wof s LYS 180 Cb 0.00 -3.60 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1wof s LYS 180 CO 0.00 -0.20 1.28 1.19 -0.92 0.00 0.00 175.35 176.70 1wof n PHE 181 N 5.02 2.00 -3.38 3.18 3.01 -1.26 -1.24 117.46 124.78 1wof n PHE 181 Ca -0.07 0.44 -0.40 0.00 1.01 0.00 0.00 57.45 58.42 1wof n PHE 181 Cb 0.51 -2.31 -0.09 0.00 -0.01 0.00 0.00 39.48 37.57 1wof n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1wof s TYR 182 N -1.33 3.22 0.00 1.38 2.02 0.09 -4.86 117.35 117.87 1wof s TYR 182 Ca 0.73 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.64 1wof s TYR 182 Cb -0.42 -2.65 0.00 0.00 -0.40 0.00 0.00 41.96 38.50 1wof s TYR 182 CO 0.48 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1wof n GLY 183 N 4.82 1.19 2.22 0.71 0.00 -1.26 -4.58 105.19 108.29 1wof n GLY 183 Ca -0.08 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 1wof n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wof n PRO 184 N 1.68 3.04 -4.44 1.61 -0.04 -1.26 -4.91 135.00 130.68 1wof n PRO 184 Ca 0.00 -1.88 -0.25 0.00 -0.04 0.00 0.00 63.50 61.33 1wof n PRO 184 Cb 0.00 -2.43 -0.10 0.00 -0.04 0.00 0.00 33.50 30.93 1wof n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wof s PHE 185 N 1.08 2.34 0.06 0.54 0.40 -1.26 -4.94 117.98 116.20 1wof s PHE 185 Ca 0.66 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.71 1wof s PHE 185 Cb 0.25 -1.06 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1wof s PHE 185 CO -0.05 0.64 -0.13 0.14 0.70 0.00 0.00 175.22 176.52 1wof s VAL 186 N -2.22 0.98 -1.31 -0.44 -7.23 -1.26 -4.86 120.40 104.05 1wof s VAL 186 Ca 0.27 -1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 59.03 1wof s VAL 186 Cb -0.06 -0.97 0.10 0.00 0.56 0.00 0.00 36.38 36.01 1wof s VAL 186 CO 0.14 -0.26 1.79 -0.90 -0.31 0.00 0.00 175.10 175.56 1wof n ASP 187 N 1.32 4.79 -3.59 4.85 5.75 -1.26 -4.85 116.55 123.56 1wof n ASP 187 Ca -0.22 -2.94 -0.17 0.00 -0.01 0.00 0.00 54.79 51.46 1wof n ASP 187 Cb 0.54 -1.66 -0.07 0.00 -1.03 0.00 0.00 41.12 38.90 1wof n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wof s ARG 188 N 3.00 0.95 -1.42 0.11 1.70 -1.26 -4.93 118.95 117.09 1wof s ARG 188 Ca 0.48 0.18 -0.12 0.00 -0.47 0.00 0.00 55.73 55.80 1wof s ARG 188 Cb 0.05 0.44 0.07 0.00 -0.57 0.00 0.00 34.95 34.94 1wof s ARG 188 CO 0.02 -0.28 2.20 1.04 -1.08 0.00 0.00 175.30 177.20 1wof n GLN 189 N 1.09 3.20 -4.43 3.89 6.02 0.51 -4.89 117.38 122.77 1wof n GLN 189 Ca -0.19 -2.85 -0.24 0.00 -0.01 0.00 0.00 57.00 53.70 1wof n GLN 189 Cb 0.57 -3.12 -0.09 0.00 1.02 0.00 0.00 30.24 28.61 1wof n GLN 189 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wof s THR 190 N 2.19 2.60 -0.17 5.09 -4.23 -1.26 -4.73 115.64 115.12 1wof s THR 190 Ca 0.47 -2.18 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 1wof s THR 190 Cb 0.13 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1wof s THR 190 CO -0.06 -0.30 1.70 0.00 -0.54 0.00 0.00 174.62 175.42 1wof s ALA 191 N -2.51 3.31 -0.00 3.99 0.00 -1.26 -4.97 121.76 120.31 1wof s ALA 191 Ca 0.32 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1wof s ALA 191 Cb -0.02 -3.85 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1wof s ALA 191 CO 0.17 -1.90 -0.09 -0.65 0.00 0.00 0.00 175.76 173.30 1wof s GLN 192 N 4.69 0.69 -0.02 0.00 -0.21 -1.26 -5.15 119.66 118.40 1wof s GLN 192 Ca 0.75 -0.32 0.06 0.00 0.02 0.00 0.00 55.36 55.87 1wof s GLN 192 Cb -0.28 -0.66 -0.01 0.00 1.00 0.00 0.00 33.01 33.05 1wof s GLN 192 CO 0.31 0.18 -0.20 0.00 -2.12 0.00 0.00 175.29 173.46 1wof s ALA 193 N -0.23 1.64 0.45 6.09 0.00 -1.26 -4.48 121.76 123.97 1wof s ALA 193 Ca 0.03 -0.83 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1wof s ALA 193 Cb -0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 1wof s ALA 193 CO -0.00 0.39 0.94 0.00 0.00 0.00 0.00 175.76 177.08 1wof s ALA 194 N -0.39 3.08 1.21 0.00 0.00 -1.26 -4.99 121.76 119.42 1wof s ALA 194 Ca 0.06 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1wof s ALA 194 Cb -0.08 -3.09 0.29 0.00 0.00 0.00 0.00 23.12 20.24 1wof s ALA 194 CO -0.00 -0.00 1.03 0.20 0.00 0.00 0.00 175.76 176.99 1wof s GLY 195 N -2.58 1.52 0.35 0.00 0.00 -1.26 -4.91 107.32 100.44 1wof s GLY 195 Ca 0.60 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 1wof s GLY 195 CO 0.21 0.28 1.37 -1.59 0.00 0.00 0.00 173.10 173.36 1wof s THR 196 N -2.63 2.50 0.48 0.90 2.01 -1.26 -4.88 115.64 112.76 1wof s THR 196 Ca 0.68 0.50 0.06 0.00 0.31 0.00 0.00 61.69 63.24 1wof s THR 196 Cb -0.18 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1wof s THR 196 CO 0.60 0.12 0.66 -0.62 -0.69 0.00 0.00 174.62 174.68 1wof s ASP 197 N -0.37 5.48 0.16 3.53 3.68 -1.26 -4.61 116.67 123.27 1wof s ASP 197 Ca 0.50 -0.31 -0.07 0.00 2.13 0.00 0.00 52.55 54.80 1wof s ASP 197 Cb -0.42 -0.66 -0.02 0.00 -1.45 0.00 0.00 42.92 40.37 1wof s ASP 197 CO 0.56 -0.94 0.23 0.42 0.13 0.00 0.00 175.17 175.57 1wof s THR 198 N -2.52 0.07 0.11 1.71 -4.23 -1.26 -4.99 115.64 104.53 1wof s THR 198 Ca 0.56 -1.51 -0.25 0.00 -1.18 0.00 0.00 61.69 59.31 1wof s THR 198 Cb -0.10 -1.89 -0.07 0.00 1.34 0.00 0.00 72.50 71.79 1wof s THR 198 CO 0.35 -0.34 0.77 -0.89 -0.54 0.00 0.00 174.62 173.97 1wof s THR 199 N -3.99 4.55 -0.94 3.99 2.01 -0.45 -4.58 115.64 116.23 1wof s THR 199 Ca 0.19 1.66 -0.24 0.00 0.31 0.00 0.00 61.69 63.61 1wof s THR 199 Cb 0.04 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.45 1wof s THR 199 CO 0.00 0.45 1.60 -0.63 -0.69 0.00 0.00 174.62 175.35 1wof s ILE 200 N -0.62 3.74 0.20 1.82 1.01 -1.26 -1.16 121.20 124.92 1wof s ILE 200 Ca 0.37 -0.49 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 1wof s ILE 200 Cb -0.22 -4.69 0.16 0.00 0.01 0.00 0.00 42.46 37.73 1wof s ILE 200 CO 0.25 -1.60 1.68 0.74 0.00 0.00 0.00 174.94 176.01 1wof h THR 201 N 6.86 0.57 -0.79 2.92 2.02 -1.94 -1.81 112.91 120.75 1wof h THR 201 Ca 0.10 -0.05 0.11 0.00 0.77 0.00 0.00 66.41 67.35 1wof h THR 201 Cb 1.02 0.41 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 1wof h THR 201 CO 1.34 0.03 0.41 0.25 0.37 0.00 0.00 175.52 177.92 1wof h LEU 202 N 0.14 0.53 -0.46 2.58 5.85 -1.90 -1.50 115.31 120.55 1wof h LEU 202 Ca 0.29 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 1wof h LEU 202 Cb 0.45 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1wof h LEU 202 CO -0.46 0.27 -0.29 0.78 -0.34 0.00 0.00 178.44 178.40 1wof h ASN 203 N 0.65 1.01 -0.56 1.25 2.35 -1.55 -1.18 115.58 117.55 1wof h ASN 203 Ca 0.40 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wof h ASN 203 Cb 0.48 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1wof h ASN 203 CO -0.30 1.22 0.35 0.58 -1.65 0.00 0.00 177.43 177.62 1wof h VAL 204 N 0.81 1.16 -0.45 2.81 2.07 -0.74 -0.09 116.25 121.83 1wof h VAL 204 Ca 0.09 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1wof h VAL 204 Cb 0.88 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1wof h VAL 204 CO 0.08 0.16 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1wof h LEU 205 N 0.75 0.60 -1.08 2.57 3.38 -1.18 -0.67 115.31 119.68 1wof h LEU 205 Ca 0.20 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1wof h LEU 205 Cb -0.04 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1wof h LEU 205 CO -0.04 0.56 0.62 0.00 0.09 0.00 0.00 178.44 179.67 1wof h ALA 206 N 1.06 1.43 -0.71 1.53 0.00 -0.75 -1.44 119.26 120.38 1wof h ALA 206 Ca 0.16 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1wof h ALA 206 Cb 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1wof h ALA 206 CO -0.02 0.45 0.16 2.35 0.00 0.00 0.00 179.25 182.19 1wof h TRP 207 N 1.14 1.20 -0.53 0.00 7.01 -0.43 -1.14 115.95 123.20 1wof h TRP 207 Ca 0.40 -0.15 -0.06 0.00 2.11 0.00 0.00 58.89 61.19 1wof h TRP 207 Cb 0.11 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1wof h TRP 207 CO -0.00 0.98 0.10 -0.07 -2.79 0.00 0.00 178.44 176.66 1wof h LEU 208 N 1.08 0.78 -1.05 0.65 3.38 -0.15 -1.45 115.31 118.54 1wof h LEU 208 Ca 0.22 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1wof h LEU 208 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1wof h LEU 208 CO 0.00 0.78 -0.27 1.88 0.09 0.00 0.00 178.44 180.92 1wof h TYR 209 N 0.80 0.38 -0.48 1.13 0.05 -0.82 -2.16 116.97 115.86 1wof h TYR 209 Ca 0.17 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 1wof h TYR 209 Cb 0.33 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 1wof h TYR 209 CO 0.02 0.59 0.15 0.00 -1.05 0.00 0.00 178.16 177.87 1wof h ALA 210 N 1.41 0.63 -0.72 3.88 0.00 -0.23 -0.60 119.26 123.63 1wof h ALA 210 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1wof h ALA 210 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1wof h ALA 210 CO 0.05 0.28 0.48 0.00 0.00 0.00 0.00 179.25 180.06 1wof h ALA 211 N 1.01 0.92 0.04 0.00 0.00 -0.98 -1.34 119.26 118.91 1wof h ALA 211 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wof h ALA 211 Cb 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wof h ALA 211 CO -0.01 0.34 -0.02 0.28 0.00 0.00 0.00 179.25 179.84 1wof h VAL 212 N 0.98 1.17 -0.16 0.00 2.07 -1.06 -0.62 116.25 118.63 1wof h VAL 212 Ca 0.26 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.16 1wof h VAL 212 Cb -0.11 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1wof h VAL 212 CO -0.06 0.17 0.15 0.16 0.02 0.00 0.00 177.57 178.01 1wof h ILE 213 N -0.35 0.64 -0.00 4.57 -0.00 -1.00 0.28 117.51 121.65 1wof h ILE 213 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.85 1wof h ILE 213 Cb 0.32 0.89 0.00 0.00 -0.00 0.00 0.00 36.82 38.03 1wof h ILE 213 CO 0.01 0.00 -0.01 0.59 -0.00 0.00 0.00 178.15 178.74 1wof n ASN 214 N -4.07 0.09 0.00 2.16 4.13 -0.51 -4.87 115.26 112.18 1wof n ASN 214 Ca 0.01 -0.62 0.00 0.00 1.68 0.00 0.00 54.58 55.65 1wof n ASN 214 Cb 0.27 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 1wof n ASN 214 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wof n GLY 215 N 1.15 0.80 3.48 7.41 0.00 0.99 -4.55 105.19 114.47 1wof n GLY 215 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1wof n GLY 215 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wof s ASP 216 N -2.28 4.89 -0.02 1.61 -1.08 -0.30 -4.97 116.67 114.52 1wof s ASP 216 Ca 0.00 -0.15 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 1wof s ASP 216 Cb 0.00 -1.82 0.05 0.00 -1.46 0.00 0.00 42.92 39.68 1wof s ASP 216 CO 0.00 0.11 0.92 0.54 0.52 0.00 0.00 175.17 177.26 1wof n ARG 217 N 3.94 0.38 0.26 4.34 1.74 -1.26 -2.96 116.66 123.09 1wof n ARG 217 Ca -0.17 -1.17 0.08 0.00 -0.77 0.00 0.00 57.85 55.82 1wof n ARG 217 Cb 0.52 -0.69 0.65 0.00 -1.02 0.00 0.00 32.46 31.92 1wof n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1wof h TRP 218 N 0.00 0.00 -0.01 -1.55 5.08 -1.98 -2.89 115.95 114.60 1wof h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1wof h TRP 218 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1wof h TRP 218 CO 0.06 0.03 -0.03 1.97 -1.28 0.00 0.00 178.44 179.19 1wof n PHE 219 N -4.42 0.00 -1.74 0.12 1.16 -1.26 -4.91 117.46 106.41 1wof n PHE 219 Ca -0.03 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.25 1wof n PHE 219 Cb 0.11 -0.03 0.07 0.00 -1.61 0.00 0.00 39.48 38.03 1wof n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1wof s LEU 220 N -2.08 2.69 0.31 5.98 1.43 -1.09 -4.74 118.68 121.18 1wof s LEU 220 Ca 0.39 1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 54.61 1wof s LEU 220 Cb 0.21 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1wof s LEU 220 CO 0.37 -1.71 0.43 0.54 0.23 0.00 0.00 176.35 176.22 1wof s ASN 221 N -4.18 0.67 0.00 2.29 2.20 -1.26 -5.04 114.94 109.62 1wof s ASN 221 Ca 0.60 -1.38 0.23 0.00 -0.94 0.00 0.00 52.86 51.37 1wof s ASN 221 Cb -0.13 0.62 1.01 0.00 -2.00 0.00 0.00 41.25 40.75 1wof s ASN 221 CO 0.53 -1.21 1.70 -2.11 -2.94 0.00 0.00 177.10 173.06 1wof n ARG 222 N -0.50 1.48 -2.30 3.55 1.85 -1.26 -4.91 116.66 114.57 1wof n ARG 222 Ca 0.01 -0.72 -0.25 0.00 -1.00 0.00 0.00 57.85 55.89 1wof n ARG 222 Cb 0.62 -1.40 0.06 0.00 -1.05 0.00 0.00 32.46 30.69 1wof n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1wof s PHE 223 N -1.90 2.84 0.28 2.89 2.99 -1.26 -5.11 117.98 118.70 1wof s PHE 223 Ca 0.34 0.32 -0.06 0.00 0.00 0.00 0.00 56.93 57.53 1wof s PHE 223 Cb 0.18 -3.11 -0.01 0.00 0.00 0.00 0.00 43.02 40.07 1wof s PHE 223 CO 0.28 -1.33 0.40 -0.08 -0.00 0.00 0.00 175.22 174.49 1wof s THR 224 N -3.15 0.00 0.25 0.64 -1.32 -1.26 -4.73 115.64 106.07 1wof s THR 224 Ca 0.60 -1.61 -0.16 0.00 -1.21 0.00 0.00 61.69 59.30 1wof s THR 224 Cb -0.10 -2.44 0.01 0.00 -1.51 0.00 0.00 72.50 68.46 1wof s THR 224 CO 0.43 0.00 0.57 0.28 -2.21 0.00 0.00 174.62 173.70 1wof s THR 225 N -3.67 0.00 0.37 5.08 -1.32 -1.25 -4.89 115.64 109.96 1wof s THR 225 Ca 0.29 -1.18 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 1wof s THR 225 Cb 0.01 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.93 1wof s THR 225 CO 0.14 -0.02 0.55 0.42 -2.21 0.00 0.00 174.62 173.51 1wof s THR 226 N -3.96 4.59 0.20 5.08 -4.23 -1.26 -4.85 115.64 111.20 1wof s THR 226 Ca 0.17 -0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 1wof s THR 226 Cb -0.03 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.28 1wof s THR 226 CO 0.07 -0.39 1.82 0.25 -0.54 0.00 0.00 174.62 175.83 1wof h LEU 227 N 0.71 0.86 -0.39 4.79 6.46 -1.97 -1.26 115.31 124.51 1wof h LEU 227 Ca -0.48 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.17 1wof h LEU 227 Cb 1.24 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 1wof h LEU 227 CO 0.59 0.69 0.16 -1.13 -0.62 0.00 0.00 178.44 178.12 1wof h ASN 228 N 0.96 0.54 0.03 1.25 -0.00 -1.94 -1.78 115.58 114.64 1wof h ASN 228 Ca 0.25 -0.17 -0.10 0.00 -0.00 0.00 0.00 56.30 56.28 1wof h ASN 228 Cb 0.01 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.18 1wof h ASN 228 CO -0.04 0.56 -0.32 0.44 -0.00 0.00 0.00 177.43 178.06 1wof h ASP 229 N 0.49 0.43 -0.09 1.15 3.45 -1.90 -2.14 116.42 117.81 1wof h ASP 229 Ca 0.13 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.42 1wof h ASP 229 Cb 0.19 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1wof h ASP 229 CO -0.01 0.73 0.02 0.15 -1.57 0.00 0.00 179.24 178.56 1wof h PHE 230 N 0.36 0.14 -0.77 4.55 3.57 -1.03 -3.06 116.94 120.71 1wof h PHE 230 Ca 0.05 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1wof h PHE 230 Cb 0.74 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1wof h PHE 230 CO 0.02 0.32 0.51 -0.91 -2.23 0.00 0.00 178.31 176.02 1wof h ASN 231 N -0.07 0.85 -0.43 0.41 2.35 -1.15 0.12 115.58 117.66 1wof h ASN 231 Ca 0.03 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1wof h ASN 231 Cb 0.25 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1wof h ASN 231 CO 0.00 0.60 0.26 -0.07 -1.65 0.00 0.00 177.43 176.57 1wof h LEU 232 N 0.99 0.53 0.03 1.61 3.38 -1.30 -0.68 115.31 119.87 1wof h LEU 232 Ca 0.30 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.12 1wof h LEU 232 Cb -0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1wof h LEU 232 CO -0.08 0.41 -0.61 0.58 0.09 0.00 0.00 178.44 178.84 1wof h VAL 233 N 0.61 1.44 -0.69 1.22 2.07 -1.27 -3.36 116.25 116.28 1wof h VAL 233 Ca 0.16 -2.34 0.09 0.00 0.82 0.00 0.00 66.70 65.43 1wof h VAL 233 Cb -0.01 2.99 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 1wof h VAL 233 CO -0.03 0.56 0.33 0.00 0.02 0.00 0.00 177.57 178.45 1wof h ALA 234 N -0.12 0.94 0.00 1.67 0.00 -0.64 -1.27 119.26 119.84 1wof h ALA 234 Ca -0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wof h ALA 234 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1wof h ALA 234 CO -0.03 -0.07 -0.04 0.52 0.00 0.00 0.00 179.25 179.63 1wof h MET 235 N 0.57 0.00 0.00 0.00 2.07 -1.29 -0.61 114.93 115.67 1wof h MET 235 Ca 0.34 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.92 1wof h MET 235 Cb 0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 1wof h MET 235 CO -0.27 0.04 -0.21 0.87 1.07 0.00 0.00 176.91 178.42 1wof h LYS 236 N 0.00 0.00 -0.61 1.72 1.57 -1.37 -2.48 116.57 115.41 1wof h LYS 236 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1wof h LYS 236 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.38 1wof h LYS 236 CO 0.01 0.21 0.12 0.66 -0.57 0.00 0.00 179.45 179.88 1wof n TYR 237 N -3.50 2.10 -3.33 -1.35 4.02 -0.28 -4.92 117.16 109.89 1wof n TYR 237 Ca -0.01 -1.00 -0.21 0.00 -0.01 0.00 0.00 57.90 56.67 1wof n TYR 237 Cb 0.37 -0.57 0.06 0.00 -0.02 0.00 0.00 39.34 39.18 1wof n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1wof n ASN 238 N 0.07 -5.94 -4.88 7.72 5.15 -0.93 -4.86 115.26 111.58 1wof n ASN 238 Ca 0.33 -0.42 -0.36 0.00 -0.60 0.00 0.00 54.58 53.54 1wof n ASN 238 Cb 1.25 -4.62 -0.06 0.00 -0.53 0.00 0.00 39.78 35.82 1wof n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1wof s TYR 239 N -3.24 3.59 0.32 1.20 1.51 -0.94 -1.34 117.35 118.45 1wof s TYR 239 Ca 0.45 0.53 -0.29 0.00 -1.01 0.00 0.00 57.07 56.75 1wof s TYR 239 Cb -0.20 -1.95 -0.12 0.00 -0.11 0.00 0.00 41.96 39.59 1wof s TYR 239 CO 0.56 0.70 1.53 0.39 -1.11 0.00 0.00 175.55 177.62 1wof n GLU 240 N 1.62 2.60 -1.85 -0.62 -0.58 -0.31 -4.19 120.64 117.31 1wof n GLU 240 Ca -0.16 0.92 -0.41 0.00 -0.42 0.00 0.00 57.16 57.09 1wof n GLU 240 Cb 0.54 -2.66 -0.00 0.00 -0.57 0.00 0.00 31.44 28.74 1wof n GLU 240 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1wof s PRO 241 N -1.09 4.10 -0.11 3.49 0.02 -1.26 -4.53 135.00 135.62 1wof s PRO 241 Ca 0.60 2.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.96 1wof s PRO 241 Cb -0.51 -2.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 1wof s PRO 241 CO 0.54 -0.51 0.41 -1.17 -0.33 0.00 0.00 177.00 175.95 1wof s LEU 242 N -2.12 4.30 0.36 -5.54 2.96 -1.26 -4.99 118.68 112.40 1wof s LEU 242 Ca 0.53 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 55.27 1wof s LEU 242 Cb -0.45 -2.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 1wof s LEU 242 CO 0.61 0.08 0.29 0.42 -1.32 0.00 0.00 176.35 176.43 1wof s THR 243 N 0.29 3.16 0.46 3.68 -4.23 -1.26 -4.97 115.64 112.77 1wof s THR 243 Ca 0.23 -1.43 0.17 0.00 -1.18 0.00 0.00 61.69 59.48 1wof s THR 243 Cb -0.15 -3.09 0.21 0.00 1.34 0.00 0.00 72.50 70.81 1wof s THR 243 CO 0.09 -0.12 2.03 -0.61 -0.54 0.00 0.00 174.62 175.47 1wof h GLN 244 N 1.25 0.00 -0.33 3.99 5.75 -2.00 -1.43 115.11 122.34 1wof h GLN 244 Ca -0.44 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.04 1wof h GLN 244 Cb 1.26 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1wof h GLN 244 CO 0.59 0.15 0.12 0.22 -2.65 0.00 0.00 178.83 177.26 1wof h ASP 245 N 0.00 0.47 -0.73 -0.69 3.58 -1.99 -1.44 116.42 115.61 1wof h ASP 245 Ca -0.00 -0.18 0.04 0.00 0.42 0.00 0.00 57.03 57.31 1wof h ASP 245 Cb 0.27 -0.12 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 1wof h ASP 245 CO 0.02 0.52 0.45 0.45 -2.88 0.00 0.00 179.24 177.80 1wof h HIS 246 N 0.39 0.85 -0.54 0.28 3.86 -1.67 -1.28 115.15 117.04 1wof h HIS 246 Ca 0.11 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1wof h HIS 246 Cb 0.20 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 1wof h HIS 246 CO -0.00 0.47 0.09 -0.39 0.86 0.00 0.00 177.93 178.96 1wof h VAL 247 N 0.87 1.25 -0.85 2.45 -1.51 -1.17 -2.34 116.25 114.95 1wof h VAL 247 Ca 0.30 -0.95 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1wof h VAL 247 Cb 0.05 0.83 -0.04 0.00 -2.13 0.00 0.00 31.29 30.00 1wof h VAL 247 CO -0.12 0.34 0.54 0.44 -1.23 0.00 0.00 177.57 177.54 1wof h ASP 248 N 0.77 0.99 -0.49 4.19 3.32 -0.83 -1.16 116.42 123.22 1wof h ASP 248 Ca 0.16 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1wof h ASP 248 Cb 0.40 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1wof h ASP 248 CO 0.01 0.74 0.29 0.40 -1.72 0.00 0.00 179.24 178.96 1wof h ILE 249 N 1.16 1.15 0.00 0.35 2.04 -0.81 -0.34 117.51 121.05 1wof h ILE 249 Ca 0.31 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1wof h ILE 249 Cb -0.10 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1wof h ILE 249 CO -0.06 0.16 0.00 0.18 0.00 0.00 0.00 178.15 178.42 1wof n LEU 250 N -4.42 0.00 -0.07 1.44 4.77 -0.46 -4.20 117.00 114.05 1wof n LEU 250 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1wof n LEU 250 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1wof n LEU 250 CO 0.36 0.00 0.57 1.23 -1.33 0.00 0.00 177.39 178.22 1wof h GLY 251 N 4.92 -0.69 0.07 -0.72 0.00 -0.79 0.25 103.07 106.11 1wof h GLY 251 Ca 0.00 0.56 0.08 0.00 0.00 0.00 0.00 47.33 47.97 1wof h GLY 251 CO 0.00 -0.20 -0.19 -2.55 0.00 0.00 0.00 176.54 173.60 1wof h PRO 252 N -0.42 -0.12 -0.47 4.80 0.11 -1.80 0.16 132.00 134.26 1wof h PRO 252 Ca 0.10 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 1wof h PRO 252 Cb 0.61 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1wof h PRO 252 CO -0.49 -0.08 0.16 -0.07 -0.21 0.00 0.00 178.00 177.30 1wof h LEU 253 N -0.13 0.62 -0.12 2.35 3.38 -1.77 -0.90 115.31 118.75 1wof h LEU 253 Ca 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1wof h LEU 253 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wof h LEU 253 CO -0.45 0.59 0.05 -1.28 0.09 0.00 0.00 178.44 177.43 1wof h SER 254 N 0.67 0.16 -0.68 -0.43 0.87 0.46 -2.29 113.55 112.31 1wof h SER 254 Ca 0.16 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1wof h SER 254 Cb 0.18 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1wof h SER 254 CO -0.01 0.27 0.18 0.00 -0.53 0.00 0.00 176.83 176.75 1wof h ALA 255 N 0.89 1.01 -0.03 6.23 0.00 -0.34 0.44 119.26 127.47 1wof h ALA 255 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1wof h ALA 255 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wof h ALA 255 CO -0.00 0.65 -0.45 0.37 0.00 0.00 0.00 179.25 179.82 1wof h GLN 256 N 1.04 0.06 0.00 0.00 4.15 -1.07 -3.26 115.11 116.03 1wof h GLN 256 Ca 0.22 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1wof h GLN 256 Cb 0.34 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1wof h GLN 256 CO -0.00 0.50 -1.92 0.25 -1.93 0.00 0.00 178.83 175.73 1wof n THR 257 N -4.00 0.00 -0.87 2.39 -2.24 -0.87 -4.98 114.28 103.70 1wof n THR 257 Ca -0.02 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1wof n THR 257 Cb 0.48 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1wof n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wof n GLY 258 N 1.28 0.52 3.38 3.38 0.00 0.13 -5.02 105.19 108.86 1wof n GLY 258 Ca -0.03 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1wof n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wof s ILE 259 N -2.00 3.91 0.36 -0.61 1.01 -1.13 -5.04 121.20 117.70 1wof s ILE 259 Ca 0.00 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1wof s ILE 259 Cb 0.00 -2.85 -0.11 0.00 0.01 0.00 0.00 42.46 39.51 1wof s ILE 259 CO 0.00 0.32 1.43 0.00 0.00 0.00 0.00 174.94 176.70 1wof s ALA 260 N 1.54 3.56 0.20 9.38 0.00 -1.26 -4.53 121.76 130.65 1wof s ALA 260 Ca 0.05 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.37 1wof s ALA 260 Cb -0.15 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.63 1wof s ALA 260 CO 0.01 -0.92 1.70 0.28 0.00 0.00 0.00 175.76 176.82 1wof h VAL 261 N 3.01 0.64 0.00 0.00 2.07 -1.93 0.89 116.25 120.94 1wof h VAL 261 Ca -0.50 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1wof h VAL 261 Cb 1.23 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1wof h VAL 261 CO 0.65 0.04 -0.17 -0.07 0.02 0.00 0.00 177.57 178.04 1wof h LEU 262 N 0.19 0.00 -0.35 2.57 3.38 -1.90 0.59 115.31 119.78 1wof h LEU 262 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1wof h LEU 262 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wof h LEU 262 CO -0.40 0.17 -0.58 0.44 0.09 0.00 0.00 178.44 178.16 1wof h ASP 263 N 0.00 0.85 -0.15 -0.43 3.32 -1.20 -1.33 116.42 117.48 1wof h ASP 263 Ca -0.00 -0.47 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1wof h ASP 263 Cb 0.30 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1wof h ASP 263 CO 0.02 1.24 -0.18 -0.03 -1.72 0.00 0.00 179.24 178.58 1wof h MET 264 N 0.58 0.55 -0.61 3.56 4.05 -0.01 -1.73 114.93 121.31 1wof h MET 264 Ca 0.00 -0.18 -0.05 0.00 -0.28 0.00 0.00 59.70 59.19 1wof h MET 264 Cb 1.17 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.89 1wof h MET 264 CO 0.12 0.70 0.19 0.00 0.23 0.00 0.00 176.91 178.15 1wof h ALA 266 N 1.31 1.35 -0.25 0.00 0.00 -0.41 0.26 119.26 121.51 1wof h ALA 266 Ca 0.20 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1wof h ALA 266 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wof h ALA 266 CO -0.01 0.47 -0.24 0.00 0.00 0.00 0.00 179.25 179.47 1wof h ALA 267 N 1.46 0.36 -0.67 0.00 0.00 -0.53 -2.18 119.26 117.70 1wof h ALA 267 Ca 0.16 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1wof h ALA 267 Cb 0.23 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1wof h ALA 267 CO -0.01 0.33 0.22 1.25 0.00 0.00 0.00 179.25 181.04 1wof h LEU 268 N 0.31 0.95 -0.68 0.00 6.46 -0.70 -1.26 115.31 120.38 1wof h LEU 268 Ca 0.04 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1wof h LEU 268 Cb 0.80 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1wof h LEU 268 CO 0.06 0.88 0.38 0.50 -0.62 0.00 0.00 178.44 179.64 1wof h LYS 269 N 0.99 0.68 -0.31 1.25 3.64 -0.32 -0.96 116.57 121.53 1wof h LYS 269 Ca 0.22 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1wof h LYS 269 Cb 0.27 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1wof h LYS 269 CO -0.01 0.45 -0.38 1.49 -2.27 0.00 0.00 179.45 178.73 1wof h GLU 270 N 0.70 0.72 -0.64 1.90 4.81 -0.79 -2.58 114.58 118.70 1wof h GLU 270 Ca 0.31 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 1wof h GLU 270 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1wof h GLU 270 CO -0.19 0.97 0.09 -0.07 -0.73 0.00 0.00 179.01 179.09 1wof h LEU 271 N 0.59 1.02 -0.37 1.64 3.38 -0.61 0.43 115.31 121.40 1wof h LEU 271 Ca 0.05 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1wof h LEU 271 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1wof h LEU 271 CO 0.08 1.03 -0.13 -0.07 0.09 0.00 0.00 178.44 179.44 1wof h LEU 272 N 0.98 0.75 -0.34 1.67 3.38 -1.15 0.32 115.31 120.91 1wof h LEU 272 Ca 0.19 -0.38 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 1wof h LEU 272 Cb 0.45 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wof h LEU 272 CO 0.01 0.96 -0.77 1.56 0.09 0.00 0.00 178.44 180.29 1wof h GLN 273 N 0.53 0.44 -0.01 1.13 4.20 -1.36 -3.35 115.11 116.69 1wof h GLN 273 Ca 0.09 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1wof h GLN 273 Cb 0.65 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1wof h GLN 273 CO 0.04 1.02 -0.17 0.09 -0.67 0.00 0.00 178.83 179.15 1wof n ASN 274 N -3.83 1.67 -0.57 1.46 3.02 0.13 -5.10 115.26 112.03 1wof n ASN 274 Ca -0.05 -1.33 0.07 0.00 -0.03 0.00 0.00 54.58 53.23 1wof n ASN 274 Cb 0.73 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 40.18 1wof n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wof n GLY 275 N 0.92 -2.00 0.97 7.41 0.00 0.11 -4.39 105.19 108.20 1wof n GLY 275 Ca 0.06 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.85 1wof n GLY 275 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wof n MET 276 N -2.04 2.28 -4.06 1.61 2.81 -1.26 -4.72 117.12 111.73 1wof n MET 276 Ca 0.00 -1.91 -0.33 0.00 -1.81 0.00 0.00 57.70 53.65 1wof n MET 276 Cb 0.22 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1wof n MET 276 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wof n ASN 277 N 1.16 -4.12 0.00 7.83 3.02 -1.26 -0.25 115.26 121.64 1wof n ASN 277 Ca 0.18 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1wof n ASN 277 Cb 0.54 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.36 1wof n ASN 277 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wof n GLY 278 N -1.55 0.40 4.00 7.41 0.00 -1.26 -5.02 105.19 109.17 1wof n GLY 278 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1wof n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wof s ARG 279 N -0.43 1.86 0.10 1.61 0.52 0.65 -5.12 118.95 118.13 1wof s ARG 279 Ca 0.00 -1.25 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1wof s ARG 279 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1wof s ARG 279 CO 0.00 -1.27 -0.08 0.95 0.02 0.00 0.00 175.30 174.92 1wof s THR 280 N -3.00 0.76 -0.10 0.02 -4.23 -1.26 -4.64 115.64 103.18 1wof s THR 280 Ca 0.65 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1wof s THR 280 Cb -0.05 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.27 1wof s THR 280 CO 0.43 -0.76 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.03 1wof s ILE 281 N -3.19 1.05 -1.40 2.99 1.01 0.11 -4.68 121.20 117.09 1wof s ILE 281 Ca 0.09 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1wof s ILE 281 Cb 0.02 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.51 1wof s ILE 281 CO -0.03 0.37 0.62 0.18 0.00 0.00 0.00 174.94 176.08 1wof n LEU 282 N 4.69 -1.98 0.00 2.97 4.77 -1.26 0.12 117.00 126.31 1wof n LEU 282 Ca -0.15 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1wof n LEU 282 Cb 0.50 -2.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 1wof n LEU 282 CO 0.19 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1wof n GLY 283 N -1.35 2.90 3.86 -0.72 0.00 -1.26 -4.98 105.19 103.64 1wof n GLY 283 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1wof n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wof s SER 284 N -3.50 6.71 0.00 1.61 0.15 0.12 -4.96 113.70 113.83 1wof s SER 284 Ca 0.00 1.04 0.20 0.00 0.70 0.00 0.00 55.95 57.90 1wof s SER 284 Cb 0.00 -2.28 -0.15 0.00 -1.71 0.00 0.00 66.02 61.88 1wof s SER 284 CO 0.00 -0.07 0.91 0.35 1.20 0.00 0.00 173.24 175.63 1wof n THR 285 N -0.00 0.00 -4.54 6.45 -2.24 -1.26 0.06 114.28 112.75 1wof n THR 285 Ca 0.00 -0.10 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 1wof n THR 285 Cb 0.52 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 1wof n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1wof s ILE 286 N -2.74 2.21 -0.28 2.28 -4.36 -1.26 -4.88 121.20 112.17 1wof s ILE 286 Ca 0.11 -2.11 -0.26 0.00 -0.26 0.00 0.00 60.65 58.12 1wof s ILE 286 Cb 0.16 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1wof s ILE 286 CO 0.74 -0.14 0.91 -0.76 0.24 0.00 0.00 174.94 175.93 1wof s LEU 287 N -3.65 4.05 -0.05 0.37 1.43 -1.26 -4.89 118.68 114.68 1wof s LEU 287 Ca 0.34 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 54.18 1wof s LEU 287 Cb 0.04 -3.30 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1wof s LEU 287 CO 0.17 -0.66 0.74 -0.70 0.23 0.00 0.00 176.35 176.14 1wof s GLU 288 N 3.13 4.46 -0.11 1.70 2.56 -1.26 -4.98 118.70 124.20 1wof s GLU 288 Ca 0.38 0.97 0.15 0.00 0.00 0.00 0.00 54.97 56.47 1wof s GLU 288 Cb -0.14 -3.44 0.27 0.00 2.00 0.00 0.00 34.13 32.81 1wof s GLU 288 CO 0.10 0.07 1.16 -0.40 -0.56 0.00 0.00 175.26 175.63 1wof n ASP 289 N 3.71 2.49 -2.10 -1.70 3.85 -1.26 -3.92 116.55 117.61 1wof n ASP 289 Ca -0.00 -2.84 -0.18 0.00 -0.71 0.00 0.00 54.79 51.05 1wof n ASP 289 Cb 0.51 -0.36 0.21 0.00 -1.35 0.00 0.00 41.12 40.14 1wof n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1wof n GLU 290 N -1.08 2.60 -3.86 0.11 1.02 -1.26 -4.69 120.64 113.47 1wof n GLU 290 Ca 0.13 -3.04 -0.26 0.00 -0.02 0.00 0.00 57.16 53.98 1wof n GLU 290 Cb 0.59 -2.17 -0.17 0.00 -0.02 0.00 0.00 31.44 29.67 1wof n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1wof s PHE 291 N -3.22 1.23 0.71 -0.32 0.40 -1.26 -4.79 117.98 110.72 1wof s PHE 291 Ca 0.56 -0.56 -0.08 0.00 -0.60 0.00 0.00 56.93 56.24 1wof s PHE 291 Cb 0.47 -1.10 0.05 0.00 0.51 0.00 0.00 43.02 42.95 1wof s PHE 291 CO 0.11 -0.46 1.04 0.95 0.70 0.00 0.00 175.22 177.56 1wof s THR 292 N 1.79 2.61 0.42 0.64 -4.23 -1.26 -4.35 115.64 111.26 1wof s THR 292 Ca 0.05 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1wof s THR 292 Cb -0.12 -3.14 0.25 0.00 1.34 0.00 0.00 72.50 70.82 1wof s THR 292 CO -0.07 -0.16 2.04 -0.65 -0.54 0.00 0.00 174.62 175.24 1wof h PRO 293 N -0.63 0.43 -0.40 3.99 0.11 -1.91 -1.55 132.00 132.04 1wof h PRO 293 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1wof h PRO 293 Cb 1.30 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1wof h PRO 293 CO 0.62 0.32 -0.30 0.35 -0.21 0.00 0.00 178.00 178.78 1wof h PHE 294 N 0.44 1.02 -0.55 0.65 3.57 -1.95 -2.46 116.94 117.66 1wof h PHE 294 Ca 0.11 -0.27 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 1wof h PHE 294 Cb 0.02 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1wof h PHE 294 CO 0.00 1.06 0.15 -0.44 -2.23 0.00 0.00 178.31 176.85 1wof h ASP 295 N 0.74 0.77 -0.02 0.41 3.32 -1.67 -1.56 116.42 118.41 1wof h ASP 295 Ca 0.08 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1wof h ASP 295 Cb 0.86 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1wof h ASP 295 CO 0.08 0.75 -0.01 0.58 -1.72 0.00 0.00 179.24 178.92 1wof h VAL 296 N 0.80 1.29 -0.05 -1.35 2.07 -1.20 -0.63 116.25 117.19 1wof h VAL 296 Ca 0.18 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1wof h VAL 296 Cb 0.27 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1wof h VAL 296 CO -0.00 0.23 -0.19 -0.37 0.02 0.00 0.00 177.57 177.26 1wof h VAL 297 N -0.32 1.16 -0.23 2.57 -1.51 -1.38 0.10 116.25 116.64 1wof h VAL 297 Ca 0.01 -0.74 -0.12 0.00 -1.23 0.00 0.00 66.70 64.62 1wof h VAL 297 Cb 0.38 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 30.88 1wof h VAL 297 CO 0.00 0.22 -0.30 -0.09 -1.23 0.00 0.00 177.57 176.17 1wof h ARG 298 N 0.07 0.62 0.02 5.19 2.43 -1.13 -0.73 114.38 120.85 1wof h ARG 298 Ca 0.01 -0.35 -0.25 0.00 -0.81 0.00 0.00 59.98 58.58 1wof h ARG 298 Cb 0.37 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1wof h ARG 298 CO 0.03 0.96 -1.33 0.37 -1.51 0.00 0.00 179.97 178.49 1wof h GLN 299 N 0.32 0.05 0.00 0.20 4.15 -0.86 -2.99 115.11 115.98 1wof h GLN 299 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1wof h GLN 299 Cb 0.88 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.60 1wof h GLN 299 CO 0.07 0.86 -0.85 0.00 -1.93 0.00 0.00 178.83 176.98 1wof n SER 301 N -1.73 -1.84 0.00 0.00 7.64 -0.28 -4.96 113.62 112.44 1wof n SER 301 Ca 0.03 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.66 1wof n SER 301 Cb 0.38 1.39 0.00 0.00 -1.01 0.00 0.00 64.21 64.97 1wof n SER 301 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64