#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8tim n PRO 3 N 0.00 0.67 -0.22 0.00 -0.02 -1.26 -4.51 135.00 129.66 8tim n PRO 3 Ca 0.00 -0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 60.91 8tim n PRO 3 Cb 0.00 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 8tim n PRO 3 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 8tim n ARG 4 N 3.43 0.00 -2.65 -0.52 1.74 -1.26 -4.94 116.66 112.46 8tim n ARG 4 Ca 0.14 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.80 8tim n ARG 4 Cb 0.18 -0.19 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 8tim n ARG 4 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 8tim s LYS 5 N 0.42 4.45 0.08 5.56 2.20 -1.26 -4.99 119.74 126.21 8tim s LYS 5 Ca 0.14 1.45 -0.35 0.00 -0.36 0.00 0.00 55.97 56.85 8tim s LYS 5 Cb -0.19 -3.51 -0.14 0.00 -1.51 0.00 0.00 37.83 32.48 8tim s LYS 5 CO 0.10 -0.25 1.62 0.34 -0.36 0.00 0.00 175.35 176.81 8tim n PHE 6 N 4.66 2.19 -5.17 4.03 7.35 -0.55 -4.78 117.46 125.18 8tim n PHE 6 Ca 0.08 0.26 -0.32 0.00 -0.76 0.00 0.00 57.45 56.71 8tim n PHE 6 Cb 0.49 -2.54 -0.16 0.00 0.35 0.00 0.00 39.48 37.62 8tim n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 8tim s PHE 7 N 1.69 2.50 -0.04 -5.13 2.19 -0.83 0.23 117.98 118.58 8tim s PHE 7 Ca 0.83 -0.61 -0.01 0.00 0.33 0.00 0.00 56.93 57.48 8tim s PHE 7 Cb -0.73 -1.61 0.03 0.00 -1.31 0.00 0.00 43.02 39.39 8tim s PHE 7 CO 0.43 -0.14 0.03 0.08 1.83 0.00 0.00 175.22 177.45 8tim s VAL 8 N -0.25 0.06 -0.13 3.12 1.01 0.29 -1.51 120.40 123.00 8tim s VAL 8 Ca -0.01 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 8tim s VAL 8 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 8tim s VAL 8 CO 0.03 0.19 -0.07 -0.83 0.00 0.00 0.00 175.10 174.41 8tim s GLY 9 N 1.83 1.66 -0.40 4.51 0.00 0.73 -0.29 107.32 115.36 8tim s GLY 9 Ca 0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 8tim s GLY 9 CO -0.03 -0.22 0.24 -0.32 0.00 0.00 0.00 173.10 172.76 8tim s GLY 10 N 0.13 1.95 -0.77 0.20 0.00 0.44 0.32 107.32 109.59 8tim s GLY 10 Ca -0.03 -1.90 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 8tim s GLY 10 CO 0.03 0.91 0.83 0.21 0.00 0.00 0.00 173.10 175.08 8tim s ASN 11 N 1.84 6.54 0.39 1.64 3.84 0.25 0.82 114.94 130.26 8tim s ASN 11 Ca 0.02 -2.13 0.28 0.00 0.21 0.00 0.00 52.86 51.24 8tim s ASN 11 Cb -0.21 -2.28 1.22 0.00 -0.55 0.00 0.00 41.25 39.42 8tim s ASN 11 CO 0.05 -0.86 1.84 -0.50 -2.79 0.00 0.00 177.10 174.84 8tim h TRP 12 N 8.50 0.00 -0.08 0.43 6.55 -1.58 -3.40 115.95 126.37 8tim h TRP 12 Ca -0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.83 8tim h TRP 12 Cb 1.05 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 8tim h TRP 12 CO 1.00 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 180.02 8tim n LYS 13 N -2.59 0.00 -2.56 0.49 5.02 -1.26 -3.18 118.16 114.07 8tim n LYS 13 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 8tim n LYS 13 Cb 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.25 8tim n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 8tim n MET 14 N 0.00 4.05 -4.07 1.97 1.56 -1.26 -4.16 117.12 115.21 8tim n MET 14 Ca 0.00 -3.93 -0.07 0.00 -0.27 0.00 0.00 57.70 53.42 8tim n MET 14 Cb 0.00 -2.74 -0.10 0.00 2.15 0.00 0.00 33.22 32.52 8tim n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 8tim s ASN 15 N -0.22 0.47 0.00 6.12 0.01 -1.19 -5.13 114.94 114.99 8tim s ASN 15 Ca 0.37 -0.91 0.00 0.00 -0.71 0.00 0.00 52.86 51.61 8tim s ASN 15 Cb 0.09 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.93 8tim s ASN 15 CO 0.03 -0.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 8tim n GLY 16 N 0.37 -1.75 3.38 0.66 0.00 -1.26 -4.85 105.19 101.75 8tim n GLY 16 Ca -0.16 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 8tim n GLY 16 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 8tim s ASP 17 N -4.21 -0.08 0.34 1.61 1.47 -1.26 -5.02 116.67 109.52 8tim s ASP 17 Ca 0.00 -0.66 0.12 0.00 1.18 0.00 0.00 52.55 53.19 8tim s ASP 17 Cb 0.00 0.48 0.94 0.00 -0.34 0.00 0.00 42.92 44.00 8tim s ASP 17 CO 0.00 -0.92 1.74 0.11 0.68 0.00 0.00 175.17 176.77 8tim h LYS 18 N 2.43 0.52 0.13 2.11 1.57 -1.97 0.17 116.57 121.52 8tim h LYS 18 Ca -0.31 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 8tim h LYS 18 Cb 1.24 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 8tim h LYS 18 CO 0.45 0.34 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.40 8tim h LYS 19 N 0.53 -0.17 -1.01 3.15 3.64 -1.99 -2.01 116.57 118.71 8tim h LYS 19 Ca 0.64 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 60.38 8tim h LYS 19 Cb 1.31 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 8tim h LYS 19 CO -0.44 -0.11 0.57 0.66 -2.27 0.00 0.00 179.45 177.87 8tim h SER 20 N -0.24 0.46 0.07 4.20 4.64 -1.88 -1.33 113.55 119.47 8tim h SER 20 Ca -0.02 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 8tim h SER 20 Cb 0.13 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 8tim h SER 20 CO 0.03 -0.20 -0.03 0.25 -0.87 0.00 0.00 176.83 176.01 8tim h LEU 21 N 0.25 -0.07 -1.09 5.97 5.85 -0.77 -2.69 115.31 122.75 8tim h LEU 21 Ca 0.76 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 59.03 8tim h LEU 21 Cb 1.83 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.82 8tim h LEU 21 CO -0.63 0.55 0.61 1.23 -0.34 0.00 0.00 178.44 179.86 8tim h GLY 22 N -0.76 1.44 0.48 3.75 0.00 -0.57 0.44 103.07 107.85 8tim h GLY 22 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.92 8tim h GLY 22 CO 0.01 0.26 -0.28 0.83 0.00 0.00 0.00 176.54 177.37 8tim h GLU 23 N 1.03 -0.46 -0.52 4.80 5.08 -1.25 0.39 114.58 123.66 8tim h GLU 23 Ca 0.43 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.90 8tim h GLU 23 Cb 0.30 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 8tim h GLU 23 CO -0.18 -0.30 -0.47 1.25 -1.00 0.00 0.00 179.01 178.31 8tim h LEU 24 N -0.47 -1.58 -0.84 1.33 6.46 -0.00 -0.63 115.31 119.58 8tim h LEU 24 Ca 0.04 0.24 0.06 0.00 -0.12 0.00 0.00 57.88 58.10 8tim h LEU 24 Cb 0.52 0.70 -0.06 0.00 -0.73 0.00 0.00 40.66 41.08 8tim h LEU 24 CO -0.18 -0.36 0.51 0.40 -0.62 0.00 0.00 178.44 178.20 8tim h ILE 25 N -0.28 1.03 0.07 4.05 2.04 -0.10 -1.87 117.51 122.45 8tim h ILE 25 Ca 0.15 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.69 8tim h ILE 25 Cb 0.57 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 8tim h ILE 25 CO -0.65 0.17 -0.07 -0.74 0.00 0.00 0.00 178.15 176.86 8tim h HIS 26 N 0.94 -0.19 -0.06 1.37 2.76 0.11 0.40 115.15 120.48 8tim h HIS 26 Ca 0.37 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.55 8tim h HIS 26 Cb 0.17 0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 8tim h HIS 26 CO -0.04 -0.11 0.11 1.15 -1.30 0.00 0.00 177.93 177.74 8tim h THR 27 N -0.16 0.27 0.00 6.26 2.02 -0.71 0.29 112.91 120.87 8tim h THR 27 Ca 0.01 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.99 8tim h THR 27 Cb 0.16 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 8tim h THR 27 CO -0.02 0.00 -1.10 0.25 0.37 0.00 0.00 175.52 175.02 8tim h LEU 28 N 0.00 0.00 -1.30 2.58 7.12 -0.48 -2.65 115.31 120.58 8tim h LEU 28 Ca 0.03 -0.51 0.09 0.00 0.13 0.00 0.00 57.88 57.62 8tim h LEU 28 Cb 0.25 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.33 8tim h LEU 28 CO -0.00 1.40 0.54 0.78 -0.13 0.00 0.00 178.44 181.02 8tim h ASN 29 N -1.00 0.71 0.79 1.25 4.21 -0.05 -2.44 115.58 119.05 8tim h ASN 29 Ca -0.30 0.02 -0.24 0.00 1.21 0.00 0.00 56.30 56.99 8tim h ASN 29 Cb 1.22 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 38.25 8tim h ASN 29 CO -0.18 0.42 -1.30 1.23 -1.29 0.00 0.00 177.43 176.31 8tim h GLY 30 N 0.79 0.00 -1.25 2.83 0.00 -1.07 -3.48 103.07 100.88 8tim h GLY 30 Ca 0.38 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.24 8tim h GLY 30 CO -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.30 8tim n ALA 31 N -2.43 -2.45 -2.79 3.60 0.00 -0.92 -5.02 120.51 110.50 8tim n ALA 31 Ca -0.07 -0.99 -0.42 0.00 0.00 0.00 0.00 53.44 51.95 8tim n ALA 31 Cb 0.97 -1.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 8tim n ALA 31 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 8tim s LYS 32 N -4.33 2.86 0.05 0.00 1.02 -1.26 -5.01 119.74 113.08 8tim s LYS 32 Ca 0.66 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 55.54 8tim s LYS 32 Cb -0.23 -3.89 -0.03 0.00 -0.52 0.00 0.00 37.83 33.16 8tim s LYS 32 CO 0.63 -0.81 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.58 8tim s LEU 33 N 1.59 2.20 0.36 3.17 1.43 -1.26 -4.96 118.68 121.22 8tim s LEU 33 Ca 0.03 -0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 8tim s LEU 33 Cb -0.21 -0.70 -0.10 0.00 0.03 0.00 0.00 46.19 45.21 8tim s LEU 33 CO 0.07 0.04 0.88 -0.94 0.23 0.00 0.00 176.35 176.64 8tim s SER 34 N -1.35 7.00 0.72 2.29 1.04 -1.26 -5.04 113.70 117.10 8tim s SER 34 Ca 0.03 1.61 -0.09 0.00 0.48 0.00 0.00 55.95 57.98 8tim s SER 34 Cb -0.09 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.58 8tim s SER 34 CO 0.02 -0.23 1.06 0.00 0.98 0.00 0.00 173.24 175.07 8tim s ALA 35 N -1.95 2.99 0.00 5.32 0.00 -1.26 -2.71 121.76 124.14 8tim s ALA 35 Ca 0.56 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.82 8tim s ALA 35 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.21 8tim s ALA 35 CO 0.17 -1.30 0.00 -3.47 0.00 0.00 0.00 175.76 171.16 8tim n ASP 36 N -3.00 0.00 -4.54 0.00 -0.08 -1.26 -5.01 116.55 102.67 8tim n ASP 36 Ca 0.07 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.00 8tim n ASP 36 Cb 0.60 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.94 8tim n ASP 36 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 8tim s THR 37 N 0.00 4.44 -0.26 5.18 -1.32 -1.10 -1.49 115.64 121.09 8tim s THR 37 Ca 0.00 -0.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.11 8tim s THR 37 Cb 0.00 -3.02 -0.01 0.00 -1.51 0.00 0.00 72.50 67.96 8tim s THR 37 CO 0.00 0.42 0.69 -0.70 -2.21 0.00 0.00 174.62 172.83 8tim s GLU 38 N 0.83 4.09 -0.02 7.08 2.12 0.63 -4.87 118.70 128.55 8tim s GLU 38 Ca 0.03 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.02 8tim s GLU 38 Cb -0.14 -3.67 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 8tim s GLU 38 CO 0.02 -0.49 -0.16 0.08 -0.54 0.00 0.00 175.26 174.18 8tim s VAL 39 N 2.65 2.92 -0.08 3.70 1.01 -1.26 0.10 120.40 129.44 8tim s VAL 39 Ca 0.29 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 8tim s VAL 39 Cb -0.15 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.10 8tim s VAL 39 CO 0.09 0.52 0.21 -0.69 0.00 0.00 0.00 175.10 175.23 8tim s VAL 40 N -0.78 -0.02 -0.08 2.92 1.01 0.61 -2.28 120.40 121.78 8tim s VAL 40 Ca 0.12 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.18 8tim s VAL 40 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 8tim s VAL 40 CO 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 175.10 175.01 8tim s GLY 42 N -0.26 1.84 0.15 0.00 0.00 0.24 0.33 107.32 109.61 8tim s GLY 42 Ca 0.02 -2.10 0.02 0.00 0.00 0.00 0.00 44.72 42.65 8tim s GLY 42 CO 0.03 0.82 0.29 0.00 0.00 0.00 0.00 173.10 174.23 8tim s ALA 43 N 1.15 3.96 0.55 3.20 0.00 -0.87 -1.74 121.76 128.01 8tim s ALA 43 Ca 0.01 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.77 8tim s ALA 43 Cb -0.20 -1.80 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 8tim s ALA 43 CO -0.03 0.55 0.68 -2.30 0.00 0.00 0.00 175.76 174.66 8tim n PRO 44 N -0.49 0.69 -0.00 0.00 -0.02 -1.26 -4.09 135.00 129.83 8tim n PRO 44 Ca -0.07 0.26 0.01 0.00 -2.02 0.00 0.00 63.50 61.68 8tim n PRO 44 Cb 0.54 -1.82 0.32 0.00 -0.02 0.00 0.00 33.50 32.51 8tim n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 8tim h SER 45 N 0.48 0.49 -0.65 2.55 4.64 -1.97 -1.29 113.55 117.80 8tim h SER 45 Ca -0.46 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 60.80 8tim h SER 45 Cb 1.39 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 8tim h SER 45 CO 0.49 0.53 0.43 0.16 -0.87 0.00 0.00 176.83 177.57 8tim h ILE 46 N 0.52 1.14 0.00 0.95 -0.00 -2.03 -1.98 117.51 116.11 8tim h ILE 46 Ca 0.12 -0.29 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 8tim h ILE 46 Cb 0.26 0.23 0.00 0.00 -0.00 0.00 0.00 36.82 37.31 8tim h ILE 46 CO 0.00 0.15 0.00 1.88 -0.00 0.00 0.00 178.15 180.19 8tim h TYR 47 N 0.84 0.00 -0.73 0.16 0.05 -1.57 -3.39 116.97 112.32 8tim h TYR 47 Ca 0.25 0.00 0.15 0.00 0.05 0.00 0.00 58.73 59.17 8tim h TYR 47 Cb -0.04 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.57 8tim h TYR 47 CO -0.00 0.00 -0.17 -0.07 -1.05 0.00 0.00 178.16 176.87 8tim h LEU 48 N 0.00 -0.66 -0.23 3.88 3.38 -0.97 -1.10 115.31 119.61 8tim h LEU 48 Ca 0.00 0.22 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 8tim h LEU 48 Cb 0.73 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 8tim h LEU 48 CO 0.00 -0.24 -0.23 -0.78 0.09 0.00 0.00 178.44 177.28 8tim h ASP 49 N 0.01 0.60 -0.83 -0.43 3.58 -1.79 -1.24 116.42 116.31 8tim h ASP 49 Ca 0.36 -0.48 0.15 0.00 0.42 0.00 0.00 57.03 57.48 8tim h ASP 49 Cb 0.55 -0.17 -0.10 0.00 1.72 0.00 0.00 39.33 41.33 8tim h ASP 49 CO -0.75 0.95 0.40 0.15 -2.88 0.00 0.00 179.24 177.12 8tim h PHE 50 N 0.26 0.70 -0.05 0.28 3.57 -1.72 0.25 116.94 120.24 8tim h PHE 50 Ca 0.04 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.36 8tim h PHE 50 Cb 0.78 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.35 8tim h PHE 50 CO 0.08 0.14 -0.78 0.00 -2.23 0.00 0.00 178.31 175.52 8tim h ALA 51 N 1.57 0.16 -0.59 2.41 0.00 -1.01 -0.25 119.26 121.55 8tim h ALA 51 Ca 0.46 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 8tim h ALA 51 Cb 0.68 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 8tim h ALA 51 CO -0.38 0.54 0.30 -0.09 0.00 0.00 0.00 179.25 179.62 8tim h ARG 52 N 0.24 0.84 0.28 0.00 9.65 -0.64 0.50 114.38 125.26 8tim h ARG 52 Ca -0.08 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 8tim h ARG 52 Cb 1.44 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.84 8tim h ARG 52 CO 0.16 0.66 -0.35 1.96 2.80 0.00 0.00 179.97 185.20 8tim h GLN 53 N 0.80 -0.66 -0.10 0.20 4.20 -0.40 -3.04 115.11 116.10 8tim h GLN 53 Ca 0.20 0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.81 8tim h GLN 53 Cb 0.09 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 8tim h GLN 53 CO -0.03 -0.44 -0.57 0.87 -0.67 0.00 0.00 178.83 177.99 8tim h LYS 54 N -0.68 0.33 -7.06 1.46 1.79 -0.86 -3.46 116.57 108.09 8tim h LYS 54 Ca -0.01 -0.21 -0.46 0.00 -2.18 0.00 0.00 60.65 57.79 8tim h LYS 54 Cb 0.64 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.33 8tim h LYS 54 CO -0.10 0.81 0.37 -0.51 -1.08 0.00 0.00 179.45 178.94 8tim s LEU 55 N -8.07 3.89 0.53 2.94 1.43 0.18 -4.97 118.68 114.60 8tim s LEU 55 Ca -0.05 1.87 -0.17 0.00 -1.03 0.00 0.00 54.13 54.75 8tim s LEU 55 Cb 0.12 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.74 8tim s LEU 55 CO 0.81 -0.65 1.02 -1.81 0.23 0.00 0.00 176.35 175.94 8tim s ASP 56 N -2.01 6.32 0.39 2.29 1.11 -1.26 -4.84 116.67 118.67 8tim s ASP 56 Ca 0.65 1.72 0.13 0.00 0.18 0.00 0.00 52.55 55.23 8tim s ASP 56 Cb -0.15 -2.53 0.94 0.00 1.07 0.00 0.00 42.92 42.26 8tim s ASP 56 CO 0.18 -0.80 1.90 0.00 1.18 0.00 0.00 175.17 177.63 8tim h ALA 57 N 0.93 1.98 -0.98 5.23 0.00 -1.95 -0.22 119.26 124.26 8tim h ALA 57 Ca -0.47 0.01 0.33 0.00 0.00 0.00 0.00 54.91 54.77 8tim h ALA 57 Cb 1.20 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.74 8tim h ALA 57 CO 0.60 -0.20 0.39 -0.22 0.00 0.00 0.00 179.25 179.82 8tim h LYS 58 N 0.55 0.12 -5.24 0.00 3.64 -1.99 -3.39 116.57 110.26 8tim h LYS 58 Ca 0.41 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 59.17 8tim h LYS 58 Cb 0.79 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.44 8tim h LYS 58 CO -0.16 0.08 -0.52 0.42 -2.27 0.00 0.00 179.45 177.00 8tim s ILE 59 N -5.73 5.14 0.48 2.00 -1.09 -0.09 -4.73 121.20 117.18 8tim s ILE 59 Ca -0.11 0.09 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 8tim s ILE 59 Cb 0.31 -3.34 -0.06 0.00 -1.58 0.00 0.00 42.46 37.78 8tim s ILE 59 CO 0.78 0.43 0.89 -0.83 -1.23 0.00 0.00 174.94 174.98 8tim s GLY 60 N 0.49 1.91 -0.06 6.18 0.00 -0.96 -4.69 107.32 110.19 8tim s GLY 60 Ca 0.06 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.76 8tim s GLY 60 CO -0.00 0.16 -0.20 0.14 0.00 0.00 0.00 173.10 173.20 8tim s VAL 61 N -2.61 1.67 -0.00 1.40 1.01 -1.26 -1.02 120.40 119.59 8tim s VAL 61 Ca 0.54 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.77 8tim s VAL 61 Cb -0.10 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 8tim s VAL 61 CO 0.35 0.47 -0.24 0.00 0.00 0.00 0.00 175.10 175.69 8tim s ALA 62 N 0.15 2.00 0.31 5.51 0.00 0.99 -2.37 121.76 128.34 8tim s ALA 62 Ca -0.09 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.59 8tim s ALA 62 Cb -0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 23.12 22.40 8tim s ALA 62 CO 0.04 0.48 0.86 0.00 0.00 0.00 0.00 175.76 177.14 8tim s ALA 63 N -0.61 3.26 -2.03 0.00 0.00 -0.57 -2.05 121.76 119.76 8tim s ALA 63 Ca 0.09 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.48 8tim s ALA 63 Cb -0.09 -3.02 0.32 0.00 0.00 0.00 0.00 23.12 20.33 8tim s ALA 63 CO -0.00 0.23 1.23 1.04 0.00 0.00 0.00 175.76 178.26 8tim n GLN 64 N 0.36 1.32 0.00 0.00 6.02 -1.26 -0.55 117.38 123.29 8tim n GLN 64 Ca 0.01 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 8tim n GLN 64 Cb 0.51 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.61 8tim n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 8tim n ASN 65 N -0.14 0.00 -2.85 1.08 5.15 -1.18 -4.70 115.26 112.62 8tim n ASN 65 Ca 0.07 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.96 8tim n ASN 65 Cb 0.13 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.41 8tim n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 8tim s TYR 67 N -2.15 2.08 -0.32 0.00 5.04 -0.95 -4.98 117.35 116.07 8tim s TYR 67 Ca 0.16 -0.74 0.10 0.00 -2.44 0.00 0.00 57.07 54.15 8tim s TYR 67 Cb -0.05 -1.92 0.65 0.00 0.35 0.00 0.00 41.96 41.00 8tim s TYR 67 CO 0.12 -0.14 1.71 0.36 -1.34 0.00 0.00 175.55 176.25 8tim n LYS 68 N -1.51 2.95 -3.98 4.97 2.85 -1.26 -4.52 118.16 117.66 8tim n LYS 68 Ca -0.03 -3.06 -0.10 0.00 -1.05 0.00 0.00 58.31 54.06 8tim n LYS 68 Cb 0.64 -2.08 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 8tim n LYS 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 8tim s VAL 69 N -3.08 0.16 0.06 0.58 1.01 -1.26 -4.87 120.40 112.99 8tim s VAL 69 Ca 0.52 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.50 8tim s VAL 69 Cb 0.43 -0.28 -0.17 0.00 0.00 0.00 0.00 36.38 36.36 8tim s VAL 69 CO 0.10 -0.43 1.26 1.55 0.00 0.00 0.00 175.10 177.58 8tim h PRO 70 N 4.80 0.58 -4.48 2.72 0.13 -1.98 -3.42 132.00 130.35 8tim h PRO 70 Ca -0.32 -0.46 -0.19 0.00 -0.87 0.00 0.00 66.00 64.17 8tim h PRO 70 Cb 1.21 0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.27 8tim h PRO 70 CO 0.42 1.08 -0.69 0.15 -0.23 0.00 0.00 178.00 178.73 8tim s LYS 71 N -3.74 0.72 0.00 0.86 1.02 -1.26 -4.67 119.74 112.67 8tim s LYS 71 Ca -0.12 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.64 8tim s LYS 71 Cb 0.06 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 8tim s LYS 71 CO 0.84 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.63 8tim n GLY 72 N 0.18 0.71 2.58 -3.33 0.00 -1.26 -4.95 105.19 99.13 8tim n GLY 72 Ca -0.14 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.56 8tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8tim n ALA 73 N -1.00 5.00 -3.46 4.61 0.00 -1.26 -4.56 120.51 119.83 8tim n ALA 73 Ca 0.00 -2.16 -0.27 0.00 0.00 0.00 0.00 53.44 51.01 8tim n ALA 73 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 8tim n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 8tim n PHE 74 N 4.17 2.25 -1.80 0.00 3.72 -1.26 -5.10 117.46 119.43 8tim n PHE 74 Ca 0.48 -3.98 -0.42 0.00 -0.05 0.00 0.00 57.45 53.48 8tim n PHE 74 Cb 0.14 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.20 8tim n PHE 74 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 8tim s THR 75 N -1.75 2.71 0.00 4.37 2.01 -1.26 -1.91 115.64 119.81 8tim s THR 75 Ca 0.35 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.58 8tim s THR 75 Cb 0.11 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.47 8tim s THR 75 CO -0.08 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 8tim n GLY 76 N 4.12 2.23 3.92 4.40 0.00 -1.26 -5.08 105.19 113.51 8tim n GLY 76 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 8tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 8tim s GLU 77 N -0.94 3.56 0.17 1.61 0.41 -0.80 -5.11 118.70 117.60 8tim s GLU 77 Ca 0.00 -0.22 0.10 0.00 -0.41 0.00 0.00 54.97 54.44 8tim s GLU 77 Cb 0.00 -2.80 -0.04 0.00 -1.78 0.00 0.00 34.13 29.50 8tim s GLU 77 CO 0.00 0.38 -0.21 0.96 -0.49 0.00 0.00 175.26 175.90 8tim s ILE 78 N -1.86 2.07 0.03 -1.63 -4.36 -1.26 -4.99 121.20 109.20 8tim s ILE 78 Ca 0.40 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.85 8tim s ILE 78 Cb -0.11 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 8tim s ILE 78 CO 0.28 -0.19 0.15 -0.55 0.24 0.00 0.00 174.94 174.87 8tim s SER 79 N -2.60 6.05 0.50 4.36 0.15 -1.26 -2.24 113.70 118.66 8tim s SER 79 Ca 0.17 0.21 0.30 0.00 0.70 0.00 0.00 55.95 57.33 8tim s SER 79 Cb -0.07 -1.81 1.40 0.00 -1.71 0.00 0.00 66.02 63.83 8tim s SER 79 CO 0.08 0.23 1.83 -0.65 1.20 0.00 0.00 173.24 175.92 8tim h PRO 80 N 3.60 0.11 0.00 5.44 0.11 -1.81 1.48 132.00 140.93 8tim h PRO 80 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 8tim h PRO 80 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 8tim h PRO 80 CO 0.69 0.08 -0.69 0.00 -0.21 0.00 0.00 178.00 177.86 8tim h ALA 81 N 1.52 0.80 0.07 -0.75 0.00 -1.92 -0.43 119.26 118.55 8tim h ALA 81 Ca 0.52 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 8tim h ALA 81 Cb 1.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.52 8tim h ALA 81 CO -0.08 0.86 -0.04 0.52 0.00 0.00 0.00 179.25 180.51 8tim h MET 82 N 0.00 -0.10 -0.63 0.00 2.86 0.16 0.17 114.93 117.39 8tim h MET 82 Ca -0.01 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 8tim h MET 82 Cb 1.26 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.82 8tim h MET 82 CO 0.09 0.38 -0.17 0.82 1.06 0.00 0.00 176.91 179.09 8tim h ILE 83 N -0.63 0.35 -0.58 -1.22 2.04 -0.93 -0.43 117.51 116.11 8tim h ILE 83 Ca -0.01 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 8tim h ILE 83 Cb 0.52 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 8tim h ILE 83 CO 0.02 0.00 0.10 0.11 0.00 0.00 0.00 178.15 178.38 8tim h LYS 84 N -0.01 0.96 -0.82 2.37 1.57 -1.03 -2.15 116.57 117.46 8tim h LYS 84 Ca 0.30 -0.25 0.20 0.00 -1.87 0.00 0.00 60.65 59.03 8tim h LYS 84 Cb 0.47 -0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 8tim h LYS 84 CO -0.66 0.91 0.17 0.22 -0.57 0.00 0.00 179.45 179.51 8tim h ASP 85 N 0.86 -0.08 1.19 0.86 3.58 0.67 0.36 116.42 123.86 8tim h ASP 85 Ca 0.18 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.81 8tim h ASP 85 Cb 0.40 0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.73 8tim h ASP 85 CO 0.01 -0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.24 8tim n ILE 86 N -5.24 0.63 0.00 2.25 0.13 -0.67 -4.92 119.36 111.55 8tim n ILE 86 Ca 0.18 -0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.73 8tim n ILE 86 Cb 0.58 -0.76 0.00 0.00 -0.84 0.00 0.00 39.64 38.62 8tim n ILE 86 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 8tim n GLY 87 N 0.89 0.80 3.87 4.50 0.00 0.13 -4.87 105.19 110.51 8tim n GLY 87 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 8tim n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8tim s ALA 88 N -2.00 3.28 0.00 4.61 0.00 -0.85 -4.81 121.76 121.99 8tim s ALA 88 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 8tim s ALA 88 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.31 8tim s ALA 88 CO 0.00 -0.18 0.39 0.00 0.00 0.00 0.00 175.76 175.96 8tim n ALA 89 N -1.67 1.56 -2.71 0.00 0.00 -1.00 -4.07 120.51 112.62 8tim n ALA 89 Ca 0.03 -0.39 -0.18 0.00 0.00 0.00 0.00 53.44 52.90 8tim n ALA 89 Cb 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.87 8tim n ALA 89 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 8tim s TRP 90 N -0.10 1.20 -0.01 0.00 0.52 -1.18 0.22 118.94 119.59 8tim s TRP 90 Ca 0.00 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.67 8tim s TRP 90 Cb 0.00 -0.68 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 8tim s TRP 90 CO 0.00 0.05 -0.03 0.54 0.02 0.00 0.00 176.95 177.53 8tim s VAL 91 N -1.27 0.27 -0.03 4.03 0.11 -0.38 -1.52 120.40 121.61 8tim s VAL 91 Ca -0.02 -0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.72 8tim s VAL 91 Cb -0.10 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 8tim s VAL 91 CO 0.02 0.09 0.56 -0.63 -3.33 0.00 0.00 175.10 171.81 8tim s ILE 92 N 0.11 4.99 -0.03 7.04 1.01 0.29 -2.04 121.20 132.57 8tim s ILE 92 Ca -0.01 1.15 -0.10 0.00 0.00 0.00 0.00 60.65 61.69 8tim s ILE 92 Cb -0.04 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.56 8tim s ILE 92 CO -0.00 0.40 0.22 -0.76 0.00 0.00 0.00 174.94 174.80 8tim s LEU 93 N -0.03 1.21 0.00 2.97 1.43 0.22 -3.10 118.68 121.37 8tim s LEU 93 Ca 0.29 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 8tim s LEU 93 Cb -0.17 0.89 0.00 0.00 0.03 0.00 0.00 46.19 46.94 8tim s LEU 93 CO 0.15 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.03 8tim n GLY 94 N 1.84 0.54 3.70 -3.19 0.00 -1.26 -1.52 105.19 105.30 8tim n GLY 94 Ca -0.19 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 8tim n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 8tim n HIS 95 N -2.82 1.82 -0.11 1.61 -0.00 -1.26 -4.40 115.22 110.06 8tim n HIS 95 Ca 0.00 0.45 -0.06 0.00 0.46 0.00 0.00 57.72 58.57 8tim n HIS 95 Cb 0.04 -2.29 0.00 0.00 -0.12 0.00 0.00 29.99 27.62 8tim n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 8tim h SER 96 N 1.18 -0.73 -0.61 0.26 4.64 -1.95 0.26 113.55 116.60 8tim h SER 96 Ca -0.50 0.16 0.14 0.00 -0.47 0.00 0.00 61.79 61.12 8tim h SER 96 Cb 1.32 0.38 -0.03 0.00 -0.31 0.00 0.00 62.40 63.76 8tim h SER 96 CO 0.55 -0.25 0.42 -0.33 -0.87 0.00 0.00 176.83 176.36 8tim h GLU 97 N -0.16 0.22 0.09 4.77 5.08 -1.96 0.68 114.58 123.30 8tim h GLU 97 Ca 0.18 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.26 8tim h GLU 97 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 8tim h GLU 97 CO -0.47 0.15 -1.32 0.00 -1.00 0.00 0.00 179.01 176.37 8tim h ARG 98 N 0.23 0.19 0.37 2.33 3.08 -1.34 1.12 114.38 120.36 8tim h ARG 98 Ca 0.29 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 8tim h ARG 98 Cb 0.84 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.01 8tim h ARG 98 CO -0.06 1.09 -0.18 0.00 -1.07 0.00 0.00 179.97 179.75 8tim h ARG 99 N 0.05 -0.49 0.00 0.04 3.08 0.70 1.07 114.38 118.84 8tim h ARG 99 Ca -0.15 0.03 -0.26 0.00 0.07 0.00 0.00 59.98 59.67 8tim h ARG 99 Cb 1.95 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 32.06 8tim h ARG 99 CO 0.17 -0.29 -1.49 0.45 -1.07 0.00 0.00 179.97 177.73 8tim h HIS 100 N -0.55 0.00 0.00 3.04 3.86 0.30 -2.42 115.15 119.38 8tim h HIS 100 Ca -0.05 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.86 8tim h HIS 100 Cb 0.42 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 8tim h HIS 100 CO -0.04 0.97 -2.21 0.28 0.86 0.00 0.00 177.93 177.80 8tim n VAL 101 N -3.12 1.21 0.52 2.45 0.31 0.38 -4.45 118.33 115.64 8tim n VAL 101 Ca -0.12 -0.79 0.08 0.00 -0.01 0.00 0.00 64.34 63.50 8tim n VAL 101 Cb 1.01 -0.47 0.10 0.00 -0.91 0.00 0.00 33.84 33.56 8tim n VAL 101 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 8tim n PHE 102 N -2.72 0.13 -3.06 3.52 3.72 -1.08 -4.99 117.46 112.97 8tim n PHE 102 Ca -0.26 -0.09 -0.22 0.00 -0.05 0.00 0.00 57.45 56.83 8tim n PHE 102 Cb 1.05 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.60 8tim n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 8tim n GLY 103 N 0.96 -0.51 3.74 1.37 0.00 -0.37 -4.94 105.19 105.44 8tim n GLY 103 Ca 0.11 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 8tim n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 8tim s GLU 104 N -5.73 4.13 0.65 1.61 2.02 0.36 -4.96 118.70 116.79 8tim s GLU 104 Ca 0.30 2.56 -0.09 0.00 0.02 0.00 0.00 54.97 57.77 8tim s GLU 104 Cb -0.14 -3.05 0.01 0.00 0.10 0.00 0.00 34.13 31.05 8tim s GLU 104 CO 0.37 -0.65 1.00 -1.54 0.02 0.00 0.00 175.26 174.46 8tim s SER 105 N 0.70 5.49 0.24 -0.19 1.04 -1.26 -4.57 113.70 115.14 8tim s SER 105 Ca 0.66 0.91 -0.03 0.00 0.48 0.00 0.00 55.95 57.97 8tim s SER 105 Cb -0.48 -1.79 0.27 0.00 0.10 0.00 0.00 66.02 64.11 8tim s SER 105 CO 0.43 -1.22 1.71 0.44 0.98 0.00 0.00 173.24 175.57 8tim h ASP 106 N -0.43 0.78 0.66 7.02 3.32 -1.99 1.17 116.42 126.96 8tim h ASP 106 Ca -0.45 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.34 8tim h ASP 106 Cb 1.26 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 40.60 8tim h ASP 106 CO 0.62 0.90 -0.32 -0.08 -1.72 0.00 0.00 179.24 178.64 8tim h GLU 107 N 0.73 -0.86 -0.96 3.56 4.57 -1.95 -1.56 114.58 118.11 8tim h GLU 107 Ca 0.13 0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.46 8tim h GLU 107 Cb 0.56 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.27 8tim h GLU 107 CO 0.03 -0.54 0.60 1.25 -1.18 0.00 0.00 179.01 179.17 8tim h LEU 108 N -1.00 0.90 -0.99 1.64 6.46 -1.88 0.99 115.31 121.44 8tim h LEU 108 Ca -0.09 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 8tim h LEU 108 Cb 0.71 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 8tim h LEU 108 CO 0.15 0.52 -0.21 0.40 -0.62 0.00 0.00 178.44 178.68 8tim h ILE 109 N 1.01 1.25 -0.31 4.05 2.04 0.18 -1.98 117.51 123.75 8tim h ILE 109 Ca 0.45 -1.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.06 8tim h ILE 109 Cb 0.34 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 8tim h ILE 109 CO -0.23 0.38 -0.08 1.23 0.00 0.00 0.00 178.15 179.45 8tim h GLY 110 N 0.99 0.55 2.00 5.37 0.00 -0.19 0.22 103.07 112.01 8tim h GLY 110 Ca 0.07 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.88 8tim h GLY 110 CO 0.04 0.33 -0.77 1.46 0.00 0.00 0.00 176.54 177.61 8tim h GLN 111 N 0.48 0.00 -0.30 4.80 4.20 -0.37 -1.17 115.11 122.75 8tim h GLN 111 Ca 0.09 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 8tim h GLN 111 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 8tim h GLN 111 CO 0.02 0.77 -0.49 0.87 -0.67 0.00 0.00 178.83 179.33 8tim h LYS 112 N 0.00 0.83 0.69 1.46 1.57 -0.45 0.33 116.57 121.00 8tim h LYS 112 Ca -0.01 -0.49 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 8tim h LYS 112 Cb 1.37 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.73 8tim h LYS 112 CO 0.10 1.12 -0.33 0.28 -0.57 0.00 0.00 179.45 180.05 8tim h VAL 113 N 0.65 0.32 -0.70 0.50 2.07 -0.38 0.32 116.25 119.03 8tim h VAL 113 Ca 0.03 -0.02 0.13 0.00 0.82 0.00 0.00 66.70 67.66 8tim h VAL 113 Cb 1.07 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 8tim h VAL 113 CO 0.11 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.96 8tim h ALA 114 N -0.63 0.95 -0.42 1.67 0.00 -1.11 -0.66 119.26 119.07 8tim h ALA 114 Ca -0.09 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 8tim h ALA 114 Cb 0.72 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 8tim h ALA 114 CO 0.16 -0.21 0.24 1.25 0.00 0.00 0.00 179.25 180.68 8tim h HIS 115 N 0.42 0.56 -0.66 0.00 6.17 -0.50 0.05 115.15 121.20 8tim h HIS 115 Ca 0.38 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.50 8tim h HIS 115 Cb 0.54 -0.18 -0.05 0.00 2.52 0.00 0.00 27.41 30.24 8tim h HIS 115 CO -0.18 0.42 0.38 0.00 0.71 0.00 0.00 177.93 179.26 8tim h ALA 116 N 1.09 0.88 0.25 5.26 0.00 0.58 -2.25 119.26 125.08 8tim h ALA 116 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 8tim h ALA 116 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 8tim h ALA 116 CO -0.03 0.07 -0.12 -0.07 0.00 0.00 0.00 179.25 179.11 8tim h LEU 117 N 0.71 -0.29 -1.34 0.00 3.38 -0.85 -2.15 115.31 114.76 8tim h LEU 117 Ca 0.29 -0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.44 8tim h LEU 117 Cb 0.15 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 8tim h LEU 117 CO -0.16 -0.17 0.61 0.00 0.09 0.00 0.00 178.44 178.81 8tim h ALA 118 N 0.35 2.04 -0.00 1.53 0.00 -0.57 0.25 119.26 122.85 8tim h ALA 118 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 8tim h ALA 118 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 8tim h ALA 118 CO 0.06 -0.35 -0.01 0.39 0.00 0.00 0.00 179.25 179.33 8tim n GLU 119 N -4.59 0.90 -3.01 0.00 -0.58 -0.88 -4.94 120.64 107.55 8tim n GLU 119 Ca 0.21 -0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.72 8tim n GLU 119 Cb 0.66 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 30.07 8tim n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 8tim n GLY 120 N 1.11 0.24 3.54 0.62 0.00 0.87 -4.96 105.19 106.61 8tim n GLY 120 Ca 0.20 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 8tim n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 8tim s LEU 121 N -3.99 2.94 0.56 0.99 2.96 -0.84 -5.03 118.68 116.27 8tim s LEU 121 Ca 0.27 -0.32 -0.14 0.00 -0.22 0.00 0.00 54.13 53.71 8tim s LEU 121 Cb -0.12 -1.72 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 8tim s LEU 121 CO 0.34 0.24 1.01 -0.83 -1.32 0.00 0.00 176.35 175.79 8tim s GLY 122 N -1.69 1.91 -0.01 7.98 0.00 0.13 -4.30 107.32 111.34 8tim s GLY 122 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.01 8tim s GLY 122 CO 0.09 0.36 -0.08 0.14 0.00 0.00 0.00 173.10 173.61 8tim s VAL 123 N -2.84 0.67 -0.28 1.40 1.01 0.16 -1.25 120.40 119.27 8tim s VAL 123 Ca 0.58 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.21 8tim s VAL 123 Cb -0.11 -0.56 0.07 0.00 0.00 0.00 0.00 36.38 35.78 8tim s VAL 123 CO 0.41 0.18 -0.06 -0.51 0.00 0.00 0.00 175.10 175.12 8tim s ILE 124 N -0.22 2.12 -0.14 2.22 1.10 -0.87 0.17 121.20 125.58 8tim s ILE 124 Ca 0.03 -1.79 -0.04 0.00 -0.51 0.00 0.00 60.65 58.34 8tim s ILE 124 Cb -0.03 -2.34 -0.03 0.00 0.15 0.00 0.00 42.46 40.21 8tim s ILE 124 CO -0.00 -0.20 -0.01 0.00 -2.11 0.00 0.00 174.94 172.62 8tim s ALA 125 N 1.08 3.16 -0.12 1.50 0.00 0.49 -0.61 121.76 127.25 8tim s ALA 125 Ca -0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 8tim s ALA 125 Cb -0.20 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 8tim s ALA 125 CO -0.06 0.32 -0.09 0.00 0.00 0.00 0.00 175.76 175.92 8tim s ILE 127 N 0.13 1.50 0.00 0.00 -0.00 -0.96 -4.70 121.20 117.16 8tim s ILE 127 Ca -0.04 -2.12 0.00 0.00 -0.00 0.00 0.00 60.65 58.48 8tim s ILE 127 Cb -0.14 -2.26 0.00 0.00 -0.00 0.00 0.00 42.46 40.05 8tim s ILE 127 CO 0.04 -0.42 0.00 0.61 -0.00 0.00 0.00 174.94 175.16 8tim n GLY 128 N -0.46 3.17 3.72 6.27 0.00 -1.26 -0.90 105.19 115.74 8tim n GLY 128 Ca -0.06 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 8tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 8tim s GLU 129 N -1.96 2.64 0.50 1.61 1.03 -1.26 -4.84 118.70 116.42 8tim s GLU 129 Ca 0.00 -0.95 -0.14 0.00 0.03 0.00 0.00 54.97 53.91 8tim s GLU 129 Cb 0.00 -2.51 -0.07 0.00 -0.80 0.00 0.00 34.13 30.75 8tim s GLU 129 CO 0.00 0.49 0.93 0.15 -1.33 0.00 0.00 175.26 175.50 8tim s LYS 130 N -2.87 3.83 0.33 -4.83 1.02 -1.26 -1.90 119.74 114.06 8tim s LYS 130 Ca 0.29 0.77 0.11 0.00 0.02 0.00 0.00 55.97 57.16 8tim s LYS 130 Cb -0.10 -2.20 0.96 0.00 -0.52 0.00 0.00 37.83 35.97 8tim s LYS 130 CO 0.20 -0.26 1.70 1.25 -0.92 0.00 0.00 175.35 177.32 8tim h LEU 131 N 0.77 0.58 -0.00 3.17 7.12 -1.88 0.47 115.31 125.55 8tim h LEU 131 Ca -0.46 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.70 8tim h LEU 131 Cb 1.19 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 8tim h LEU 131 CO 0.62 -0.01 -0.05 0.44 -0.13 0.00 0.00 178.44 179.32 8tim h ASP 132 N 0.46 0.00 0.08 1.25 5.19 -1.93 0.29 116.42 121.76 8tim h ASP 132 Ca 0.68 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.92 8tim h ASP 132 Cb 1.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.92 8tim h ASP 132 CO -0.54 0.05 -0.85 -0.33 -3.12 0.00 0.00 179.24 174.45 8tim h GLU 133 N 0.00 0.17 -0.08 3.56 5.08 -0.81 -2.25 114.58 120.24 8tim h GLU 133 Ca -0.00 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 8tim h GLU 133 Cb 1.04 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 8tim h GLU 133 CO 0.01 1.14 0.04 -0.09 -1.00 0.00 0.00 179.01 179.10 8tim h ARG 134 N -0.59 0.12 0.00 2.33 2.43 -0.18 -1.79 114.38 116.70 8tim h ARG 134 Ca -0.18 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.91 8tim h ARG 134 Cb 1.47 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 8tim h ARG 134 CO 0.04 0.21 -0.27 0.93 -1.51 0.00 0.00 179.97 179.37 8tim h GLU 135 N 0.00 0.00 0.00 0.20 5.08 -0.53 -2.37 114.58 116.96 8tim h GLU 135 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 8tim h GLU 135 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 8tim h GLU 135 CO -0.00 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 8tim h ALA 136 N 1.73 1.00 0.00 3.43 0.00 -1.14 -3.47 119.26 120.81 8tim h ALA 136 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 8tim h ALA 136 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 8tim h ALA 136 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 8tim n GLY 137 N 0.89 0.71 1.51 0.00 0.00 -0.89 -5.01 105.19 102.39 8tim n GLY 137 Ca 0.04 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.68 8tim n GLY 137 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 8tim n ILE 138 N -2.48 1.70 -0.20 -0.61 5.41 -0.69 -4.74 119.36 117.75 8tim n ILE 138 Ca 0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 62.75 62.54 8tim n ILE 138 Cb 0.00 0.19 0.04 0.00 -0.71 0.00 0.00 39.64 39.15 8tim n ILE 138 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 8tim h THR 139 N 4.00 0.28 0.02 1.39 2.02 -1.84 -2.66 112.91 116.12 8tim h THR 139 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 8tim h THR 139 Cb 1.36 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 8tim h THR 139 CO 0.19 0.00 -0.05 -0.08 0.37 0.00 0.00 175.52 175.95 8tim h GLU 140 N -0.08 -0.10 -0.22 6.66 4.81 -1.94 -1.46 114.58 122.25 8tim h GLU 140 Ca 0.27 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 8tim h GLU 140 Cb 0.51 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 8tim h GLU 140 CO -0.65 -0.07 -0.11 -0.22 -0.73 0.00 0.00 179.01 177.23 8tim h LYS 141 N -0.11 -0.08 0.65 1.92 3.11 -1.88 0.22 116.57 120.42 8tim h LYS 141 Ca 0.01 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 8tim h LYS 141 Cb 0.12 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.37 8tim h LYS 141 CO -0.04 -0.05 -0.31 0.28 -2.81 0.00 0.00 179.45 176.52 8tim h VAL 142 N -0.08 0.32 -0.84 2.00 2.07 -1.23 -0.37 116.25 118.11 8tim h VAL 142 Ca 0.12 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.53 8tim h VAL 142 Cb 0.26 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 8tim h VAL 142 CO -0.27 0.02 0.56 0.58 0.02 0.00 0.00 177.57 178.47 8tim h VAL 143 N -0.97 1.17 -0.25 2.57 2.07 -1.27 0.38 116.25 119.95 8tim h VAL 143 Ca -0.09 -0.37 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 8tim h VAL 143 Cb 0.70 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 8tim h VAL 143 CO 0.15 0.20 -0.54 -0.26 0.02 0.00 0.00 177.57 177.14 8tim h PHE 144 N 1.09 0.92 -0.15 1.57 0.04 -0.26 -2.40 116.94 117.75 8tim h PHE 144 Ca 0.32 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 8tim h PHE 144 Cb -0.04 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 8tim h PHE 144 CO -0.00 1.11 0.07 0.93 -0.60 0.00 0.00 178.31 179.82 8tim h GLU 145 N 0.57 0.21 0.13 1.51 5.08 -0.10 0.47 114.58 122.44 8tim h GLU 145 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 8tim h GLU 145 Cb 1.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 8tim h GLU 145 CO 0.11 0.26 -0.32 1.96 -1.00 0.00 0.00 179.01 180.02 8tim h GLN 146 N 0.12 -0.48 -0.58 2.33 4.20 -0.28 -0.99 115.11 119.42 8tim h GLN 146 Ca 0.05 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.89 8tim h GLN 146 Cb 0.11 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 8tim h GLN 146 CO -0.01 -0.32 0.18 1.15 -0.67 0.00 0.00 178.83 179.16 8tim h THR 147 N -0.50 0.72 -0.46 -0.54 2.02 -1.34 -1.25 112.91 111.57 8tim h THR 147 Ca -0.01 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 8tim h THR 147 Cb 0.48 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 8tim h THR 147 CO -0.15 0.06 -0.11 0.50 0.37 0.00 0.00 175.52 176.20 8tim h LYS 148 N 0.33 0.82 -0.92 6.66 3.64 0.30 0.10 116.57 127.51 8tim h LYS 148 Ca 0.30 -0.28 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 8tim h LYS 148 Cb 0.40 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.04 8tim h LYS 148 CO -0.34 0.90 0.48 0.00 -2.27 0.00 0.00 179.45 178.22 8tim h ALA 149 N 1.13 1.51 0.19 5.00 0.00 0.01 0.99 119.26 128.09 8tim h ALA 149 Ca 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 8tim h ALA 149 Cb 0.60 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 8tim h ALA 149 CO 0.04 -0.22 -0.09 0.82 0.00 0.00 0.00 179.25 179.80 8tim h ILE 150 N 0.55 0.91 -0.94 0.00 2.04 -1.01 -3.24 117.51 115.82 8tim h ILE 150 Ca 0.56 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.61 8tim h ILE 150 Cb 0.98 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 8tim h ILE 150 CO -0.46 0.19 0.61 0.00 0.00 0.00 0.00 178.15 178.49 8tim h ALA 151 N -0.04 1.46 0.00 1.87 0.00 0.67 0.21 119.26 123.43 8tim h ALA 151 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 8tim h ALA 151 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 8tim h ALA 151 CO 0.04 0.41 0.00 -0.25 0.00 0.00 0.00 179.25 179.45 8tim n ASP 152 N -4.48 0.44 -0.00 0.00 8.00 0.33 -2.70 116.55 118.14 8tim n ASP 152 Ca 0.14 0.67 0.05 0.00 0.71 0.00 0.00 54.79 56.36 8tim n ASP 152 Cb 0.17 -0.74 -0.07 0.00 -0.02 0.00 0.00 41.12 40.47 8tim n ASP 152 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 8tim n ASN 153 N -2.05 0.82 -4.83 -2.24 3.02 0.70 -4.99 115.26 105.70 8tim n ASN 153 Ca 0.00 -0.64 -0.33 0.00 -0.03 0.00 0.00 54.58 53.57 8tim n ASN 153 Cb 0.09 1.09 -0.06 0.00 -0.61 0.00 0.00 39.78 40.28 8tim n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 8tim s VAL 154 N -2.19 4.52 -0.05 2.41 1.01 -1.03 -4.21 120.40 120.86 8tim s VAL 154 Ca 0.03 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.29 8tim s VAL 154 Cb 0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 8tim s VAL 154 CO 0.47 -0.17 -0.02 1.17 0.00 0.00 0.00 175.10 176.55 8tim n LYS 155 N -0.28 1.43 -3.71 2.72 3.00 -1.26 -4.95 118.16 115.11 8tim n LYS 155 Ca 0.04 0.02 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 8tim n LYS 155 Cb 0.53 -1.11 -0.13 0.00 0.00 0.00 0.00 35.03 34.32 8tim n LYS 155 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 8tim s ASP 156 N -4.11 3.62 0.00 3.14 2.15 -1.26 -4.99 116.67 115.21 8tim s ASP 156 Ca -0.05 -2.65 0.00 0.00 0.43 0.00 0.00 52.55 50.28 8tim s ASP 156 Cb 0.02 -1.02 0.00 0.00 -0.30 0.00 0.00 42.92 41.61 8tim s ASP 156 CO 0.14 -0.26 0.88 0.79 -0.17 0.00 0.00 175.17 176.55 8tim n TRP 157 N 3.51 0.00 0.23 -5.34 7.02 -1.26 -3.06 117.44 118.54 8tim n TRP 157 Ca 0.09 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.69 8tim n TRP 157 Cb 0.35 -0.39 0.48 0.00 -2.42 0.00 0.00 31.31 29.33 8tim n TRP 157 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 8tim h SER 158 N 0.00 0.00 -0.66 -0.99 4.64 -1.97 -2.67 113.55 111.89 8tim h SER 158 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 8tim h SER 158 Cb 0.08 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.05 8tim h SER 158 CO 0.00 0.17 0.22 0.29 -0.87 0.00 0.00 176.83 176.64 8tim n LYS 159 N -3.31 3.50 -4.92 4.77 5.02 -1.17 -4.98 118.16 117.07 8tim n LYS 159 Ca 0.00 -3.08 -0.32 0.00 -2.02 0.00 0.00 58.31 52.89 8tim n LYS 159 Cb 0.42 -2.15 -0.16 0.00 -0.02 0.00 0.00 35.03 33.11 8tim n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 8tim s VAL 160 N -3.01 2.35 0.02 -0.18 1.01 -1.01 0.40 120.40 119.97 8tim s VAL 160 Ca 0.53 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.67 8tim s VAL 160 Cb 0.43 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 8tim s VAL 160 CO 0.12 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 174.88 8tim s VAL 161 N 0.51 1.57 -0.20 2.92 1.01 0.44 -4.53 120.40 122.12 8tim s VAL 161 Ca -0.13 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 8tim s VAL 161 Cb -0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 8tim s VAL 161 CO 0.05 0.30 0.05 -0.76 0.00 0.00 0.00 175.10 174.73 8tim s LEU 162 N -0.83 3.58 -0.30 3.92 1.43 -0.51 -0.38 118.68 125.59 8tim s LEU 162 Ca 0.07 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 8tim s LEU 162 Cb -0.08 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.27 8tim s LEU 162 CO 0.01 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.69 8tim s ALA 163 N 0.77 2.82 -0.20 4.21 0.00 0.15 0.52 121.76 130.03 8tim s ALA 163 Ca 0.02 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.09 8tim s ALA 163 Cb -0.14 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 8tim s ALA 163 CO 0.02 -1.24 0.41 -0.47 0.00 0.00 0.00 175.76 174.49 8tim s TYR 164 N 1.27 3.37 -0.33 0.00 5.04 0.33 -2.27 117.35 124.75 8tim s TYR 164 Ca -0.05 0.63 0.02 0.00 -2.44 0.00 0.00 57.07 55.24 8tim s TYR 164 Cb -0.19 -2.55 0.10 0.00 0.35 0.00 0.00 41.96 39.67 8tim s TYR 164 CO -0.01 -0.03 0.06 -1.21 -1.34 0.00 0.00 175.55 173.02 8tim s GLU 165 N 1.39 1.23 -0.46 4.97 2.02 -0.07 -0.41 118.70 127.37 8tim s GLU 165 Ca 0.20 -1.61 -0.27 0.00 0.02 0.00 0.00 54.97 53.31 8tim s GLU 165 Cb -0.15 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 8tim s GLU 165 CO 0.08 -0.95 1.97 -1.25 0.02 0.00 0.00 175.26 175.13 8tim s PRO 166 N 1.14 2.80 0.10 0.39 0.04 -1.26 -4.11 135.00 134.10 8tim s PRO 166 Ca 0.10 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 8tim s PRO 166 Cb -0.18 -4.36 -0.09 0.00 0.04 0.00 0.00 34.50 29.90 8tim s PRO 166 CO -0.14 -2.49 1.40 0.28 0.04 0.00 0.00 177.00 176.09 8tim h VAL 167 N 7.03 1.30 -1.53 -0.36 2.07 -1.71 -2.77 116.25 120.29 8tim h VAL 167 Ca -0.29 -1.51 0.44 0.00 0.82 0.00 0.00 66.70 66.16 8tim h VAL 167 Cb 1.19 1.64 -0.06 0.00 -1.52 0.00 0.00 31.29 32.54 8tim h VAL 167 CO 1.12 0.48 1.24 -2.67 0.02 0.00 0.00 177.57 177.77 8tim n TRP 168 N -4.24 0.00 0.00 1.57 4.27 -0.80 -3.25 117.44 114.99 8tim n TRP 168 Ca -0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 8tim n TRP 168 Cb 0.50 -0.38 0.00 0.00 -1.36 0.00 0.00 31.31 30.06 8tim n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 8tim n ALA 169 N -2.62 1.17 -0.01 -1.67 0.00 -1.05 -4.28 120.51 112.05 8tim n ALA 169 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 8tim n ALA 169 Cb 1.70 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 21.15 8tim n ALA 169 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 8tim n ILE 170 N -1.48 -0.01 -2.43 0.00 -6.64 -1.20 -2.41 119.36 105.19 8tim n ILE 170 Ca 0.00 0.14 -0.42 0.00 -1.77 0.00 0.00 62.75 60.70 8tim n ILE 170 Cb 0.00 -0.18 0.01 0.00 -1.44 0.00 0.00 39.64 38.02 8tim n ILE 170 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 8tim n GLY 171 N -1.01 4.87 0.02 3.28 0.00 -1.26 -3.94 105.19 107.15 8tim n GLY 171 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 8tim n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 8tim n THR 172 N 2.92 0.00 0.00 2.61 5.66 -1.01 -5.11 114.28 119.35 8tim n THR 172 Ca 0.38 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 8tim n THR 172 Cb 0.35 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 8tim n THR 172 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 8tim n GLY 173 N 0.00 0.87 7.00 1.09 0.00 -1.25 -5.07 105.19 107.83 8tim n GLY 173 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.95 8tim n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 8tim n LYS 174 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.71 118.16 117.81 8tim n LYS 174 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 8tim n LYS 174 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 8tim n LYS 174 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 8tim n THR 175 N 0.00 0.00 -3.52 -0.18 -2.24 -1.26 -4.98 114.28 102.10 8tim n THR 175 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 8tim n THR 175 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 8tim n THR 175 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 8tim n ALA 176 N -3.00 -2.30 -1.76 6.98 0.00 -1.26 -4.87 120.51 114.30 8tim n ALA 176 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 8tim n ALA 176 Cb 0.00 -3.76 -0.03 0.00 0.00 0.00 0.00 19.45 15.66 8tim n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 8tim s THR 177 N -3.49 3.23 0.47 0.00 -4.23 -1.26 -4.81 115.64 105.55 8tim s THR 177 Ca 0.26 1.18 0.33 0.00 -1.18 0.00 0.00 61.69 62.28 8tim s THR 177 Cb -0.06 -3.73 0.53 0.00 1.34 0.00 0.00 72.50 70.58 8tim s THR 177 CO 0.79 0.23 1.65 -0.65 -0.54 0.00 0.00 174.62 176.11 8tim h PRO 178 N 3.38 0.09 -0.15 3.99 0.11 -1.90 0.47 132.00 137.98 8tim h PRO 178 Ca -0.48 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 8tim h PRO 178 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 8tim h PRO 178 CO 0.65 0.06 -0.46 1.96 -0.21 0.00 0.00 178.00 180.01 8tim h GLN 179 N 0.10 0.58 -0.07 1.05 7.50 -1.96 0.77 115.11 123.07 8tim h GLN 179 Ca 0.78 -0.42 -0.19 0.00 0.50 0.00 0.00 58.65 59.32 8tim h GLN 179 Cb 2.63 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 30.22 8tim h GLN 179 CO -0.28 1.04 -0.77 -0.56 -1.50 0.00 0.00 178.83 176.76 8tim h GLN 180 N 0.23 0.44 -0.48 1.46 3.07 -0.57 -2.75 115.11 116.52 8tim h GLN 180 Ca -0.01 -0.38 -0.01 0.00 0.09 0.00 0.00 58.65 58.33 8tim h GLN 180 Cb 1.08 0.08 -0.02 0.00 0.08 0.00 0.00 27.48 28.70 8tim h GLN 180 CO 0.10 1.02 0.24 0.00 0.09 0.00 0.00 178.83 180.28 8tim h ALA 181 N 0.87 0.61 -0.94 0.06 0.00 -0.77 -2.97 119.26 116.12 8tim h ALA 181 Ca -0.04 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.88 8tim h ALA 181 Cb 1.36 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 8tim h ALA 181 CO 0.13 0.16 0.57 0.37 0.00 0.00 0.00 179.25 180.48 8tim h GLN 182 N 0.63 0.88 0.34 0.00 5.75 0.72 -1.89 115.11 121.54 8tim h GLN 182 Ca 0.16 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 8tim h GLN 182 Cb 0.09 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.45 8tim h GLN 182 CO -0.02 0.58 -0.16 1.05 -2.65 0.00 0.00 178.83 177.62 8tim h GLU 183 N 0.90 -0.44 0.07 1.69 -0.00 -1.33 0.24 114.58 115.71 8tim h GLU 183 Ca 0.46 0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.85 8tim h GLU 183 Cb 0.47 0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 8tim h GLU 183 CO -0.27 -0.28 -0.03 0.28 -0.00 0.00 0.00 179.01 178.70 8tim h VAL 184 N -0.48 0.98 -0.68 -1.06 2.07 -1.51 -0.70 116.25 114.88 8tim h VAL 184 Ca -0.05 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.44 8tim h VAL 184 Cb 0.36 1.10 -0.11 0.00 -1.52 0.00 0.00 31.29 31.13 8tim h VAL 184 CO 0.08 0.05 0.10 0.45 0.02 0.00 0.00 177.57 178.26 8tim h HIS 185 N -0.18 0.13 -0.21 1.57 3.86 -0.98 0.20 115.15 119.54 8tim h HIS 185 Ca -0.01 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 8tim h HIS 185 Cb 0.15 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 8tim h HIS 185 CO -0.05 -0.12 0.14 1.49 0.86 0.00 0.00 177.93 180.26 8tim h GLU 186 N 0.20 0.28 -0.31 2.45 4.81 -0.32 -2.64 114.58 119.06 8tim h GLU 186 Ca 0.37 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 8tim h GLU 186 Cb 0.61 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 8tim h GLU 186 CO -0.51 0.20 0.00 0.87 -0.73 0.00 0.00 179.01 178.84 8tim h LYS 187 N 0.28 0.54 -0.21 1.92 1.57 0.51 -1.77 116.57 119.42 8tim h LYS 187 Ca 0.08 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 8tim h LYS 187 Cb -0.02 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 8tim h LYS 187 CO -0.02 0.68 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.02 8tim h LEU 188 N 0.34 -1.46 -1.15 2.94 3.38 -0.65 2.20 115.31 120.91 8tim h LEU 188 Ca 0.09 0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.42 8tim h LEU 188 Cb 0.43 0.60 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 8tim h LEU 188 CO 0.02 -0.43 0.61 -0.09 0.09 0.00 0.00 178.44 178.64 8tim h ARG 189 N -0.47 0.72 -0.05 1.13 2.43 -1.48 1.06 114.38 117.72 8tim h ARG 189 Ca 0.08 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 8tim h ARG 189 Cb 0.63 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 8tim h ARG 189 CO -0.46 0.48 -0.75 0.78 -1.51 0.00 0.00 179.97 178.51 8tim h GLY 190 N 0.74 0.35 0.98 2.80 0.00 -0.11 -2.44 103.07 105.38 8tim h GLY 190 Ca 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.33 8tim h GLY 190 CO -0.28 0.46 0.04 -0.25 0.00 0.00 0.00 176.54 176.50 8tim h TRP 191 N 0.21 0.08 -1.00 5.60 7.01 1.18 -1.95 115.95 127.08 8tim h TRP 191 Ca -0.03 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.01 8tim h TRP 191 Cb 1.33 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 28.30 8tim h TRP 191 CO 0.04 0.08 0.66 1.25 -2.79 0.00 0.00 178.44 177.67 8tim h LEU 192 N 0.06 1.09 -0.13 0.65 5.85 -0.90 2.66 115.31 124.60 8tim h LEU 192 Ca 0.02 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 8tim h LEU 192 Cb 0.02 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 8tim h LEU 192 CO -0.00 0.75 0.08 0.50 -0.34 0.00 0.00 178.44 179.42 8tim h LYS 193 N 1.27 0.16 0.04 1.25 3.11 -1.30 1.38 116.57 122.48 8tim h LYS 193 Ca 0.40 -0.01 -0.27 0.00 -2.81 0.00 0.00 60.65 57.96 8tim h LYS 193 Cb 0.01 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.17 8tim h LYS 193 CO -0.13 0.11 -1.38 1.79 -2.81 0.00 0.00 179.45 177.03 8tim h THR 194 N 0.17 1.28 -0.05 1.00 1.35 -0.86 -3.23 112.91 112.57 8tim h THR 194 Ca 0.05 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.90 8tim h THR 194 Cb -0.02 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 8tim h THR 194 CO -0.01 0.78 0.00 1.41 -0.25 0.00 0.00 175.52 177.45 8tim n HIS 195 N -3.30 0.03 0.00 4.73 8.25 0.89 -4.84 115.22 120.98 8tim n HIS 195 Ca -0.10 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 8tim n HIS 195 Cb 1.01 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 8tim n HIS 195 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 8tim n VAL 196 N 1.06 0.00 -3.63 1.59 0.31 0.47 -4.98 118.33 113.14 8tim n VAL 196 Ca 0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 8tim n VAL 196 Cb 0.47 -0.49 -0.04 0.00 -0.91 0.00 0.00 33.84 32.87 8tim n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 8tim s SER 197 N -2.32 -0.08 0.40 4.52 1.04 -0.76 -4.96 113.70 111.54 8tim s SER 197 Ca 0.00 0.07 0.26 0.00 0.48 0.00 0.00 55.95 56.75 8tim s SER 197 Cb 0.00 0.07 0.66 0.00 0.10 0.00 0.00 66.02 66.85 8tim s SER 197 CO 0.00 -0.10 1.72 -2.24 0.98 0.00 0.00 173.24 173.60 8tim h ASP 198 N 2.09 0.00 0.72 7.02 3.04 -1.84 -1.45 116.42 126.00 8tim h ASP 198 Ca -0.08 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.67 8tim h ASP 198 Cb 1.17 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 39.47 8tim h ASP 198 CO 0.23 0.00 -0.34 0.00 -2.04 0.00 0.00 179.24 177.08 8tim h ALA 199 N 2.13 -0.96 -0.98 4.15 0.00 -1.93 0.36 119.26 122.03 8tim h ALA 199 Ca 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.78 8tim h ALA 199 Cb 0.82 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 8tim h ALA 199 CO 0.00 -1.04 0.63 0.28 0.00 0.00 0.00 179.25 179.12 8tim h VAL 200 N -0.97 1.03 -0.97 0.00 2.07 -1.86 -2.19 116.25 113.36 8tim h VAL 200 Ca -0.10 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.13 8tim h VAL 200 Cb 0.74 -0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 8tim h VAL 200 CO 0.16 0.20 0.62 0.00 0.02 0.00 0.00 177.57 178.57 8tim h ALA 201 N 1.50 1.37 0.00 1.67 0.00 -0.83 -1.95 119.26 121.02 8tim h ALA 201 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 8tim h ALA 201 Cb 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.81 8tim h ALA 201 CO -0.19 0.35 -0.59 1.04 0.00 0.00 0.00 179.25 179.85 8tim n GLN 202 N -4.56 0.19 -0.05 0.00 6.02 0.08 -4.11 117.38 114.95 8tim n GLN 202 Ca 0.16 0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 8tim n GLN 202 Cb 0.23 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 29.73 8tim n GLN 202 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 8tim n SER 203 N -1.89 0.81 -4.70 1.08 3.41 -0.88 -3.53 113.62 107.93 8tim n SER 203 Ca 0.04 0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 58.48 8tim n SER 203 Cb 0.40 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 8tim n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 8tim s THR 204 N -2.56 4.83 -0.14 6.66 2.01 -0.79 -4.70 115.64 120.94 8tim s THR 204 Ca -0.09 2.03 -0.29 0.00 0.31 0.00 0.00 61.69 63.65 8tim s THR 204 Cb 0.07 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 8tim s THR 204 CO 0.81 0.07 0.98 -0.13 -0.69 0.00 0.00 174.62 175.66 8tim s ARG 205 N 1.58 4.36 -0.26 4.92 3.00 -1.26 -4.99 118.95 126.30 8tim s ARG 205 Ca 0.49 1.30 0.00 0.00 0.00 0.00 0.00 55.73 57.53 8tim s ARG 205 Cb -0.19 -3.57 0.04 0.00 0.00 0.00 0.00 34.95 31.23 8tim s ARG 205 CO 0.22 -0.38 -0.07 0.42 0.00 0.00 0.00 175.30 175.49 8tim s ILE 206 N 2.27 2.62 0.07 1.52 1.01 -1.26 -1.43 121.20 126.01 8tim s ILE 206 Ca 0.45 -1.34 0.05 0.00 0.00 0.00 0.00 60.65 59.81 8tim s ILE 206 Cb -0.17 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 8tim s ILE 206 CO 0.14 0.05 -0.03 0.27 0.00 0.00 0.00 174.94 175.37 8tim s ILE 207 N 1.22 3.84 -0.09 2.92 -4.36 0.18 0.88 121.20 125.79 8tim s ILE 207 Ca -0.04 -0.98 -0.20 0.00 -0.26 0.00 0.00 60.65 59.16 8tim s ILE 207 Cb -0.18 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 8tim s ILE 207 CO -0.04 0.18 0.55 -0.47 0.24 0.00 0.00 174.94 175.40 8tim s TYR 208 N -1.23 3.55 -0.11 1.37 5.04 -0.01 0.12 117.35 126.08 8tim s TYR 208 Ca 0.23 1.02 0.15 0.00 -2.44 0.00 0.00 57.07 56.03 8tim s TYR 208 Cb -0.11 -2.63 0.25 0.00 0.35 0.00 0.00 41.96 39.81 8tim s TYR 208 CO 0.15 0.16 1.13 0.41 -1.34 0.00 0.00 175.55 176.06 8tim n GLY 209 N 3.15 4.07 0.00 8.97 0.00 0.46 -1.12 105.19 120.72 8tim n GLY 209 Ca -0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.03 8tim n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 8tim n GLY 210 N -1.14 -0.31 3.46 -0.02 0.00 -1.26 -4.62 105.19 101.31 8tim n GLY 210 Ca 0.13 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 8tim n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 8tim s SER 211 N -1.00 6.21 0.18 1.61 0.01 -1.26 -4.87 113.70 114.57 8tim s SER 211 Ca 0.00 -1.02 -0.09 0.00 1.31 0.00 0.00 55.95 56.15 8tim s SER 211 Cb 0.00 -2.43 -0.07 0.00 0.21 0.00 0.00 66.02 63.73 8tim s SER 211 CO 0.00 -1.46 0.48 -0.69 0.41 0.00 0.00 173.24 171.98 8tim s VAL 212 N 4.15 5.01 0.35 3.43 1.01 -1.26 -5.01 120.40 128.08 8tim s VAL 212 Ca 0.24 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.60 8tim s VAL 212 Cb -0.15 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 8tim s VAL 212 CO 0.09 0.02 0.43 0.42 0.00 0.00 0.00 175.10 176.06 8tim s THR 213 N -1.70 0.00 0.23 3.92 -4.23 -1.26 -4.61 115.64 107.99 8tim s THR 213 Ca 0.43 -1.72 -0.00 0.00 -1.18 0.00 0.00 61.69 59.22 8tim s THR 213 Cb -0.12 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.09 8tim s THR 213 CO 0.22 0.00 1.61 1.23 -0.54 0.00 0.00 174.62 177.13 8tim h GLY 214 N 2.09 0.57 0.27 3.99 0.00 -1.96 -2.24 103.07 105.78 8tim h GLY 214 Ca -0.27 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 8tim h GLY 214 CO 0.38 0.51 -0.16 -1.33 0.00 0.00 0.00 176.54 175.94 8tim h GLY 215 N 1.08 0.10 0.56 4.60 0.00 -1.97 -3.41 103.07 104.03 8tim h GLY 215 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 8tim h GLY 215 CO 0.08 0.17 -0.47 3.43 0.00 0.00 0.00 176.54 179.74 8tim h ASN 216 N -0.72 -1.28 -0.76 0.19 4.21 -1.95 -3.41 115.58 111.85 8tim h ASN 216 Ca -0.02 0.10 0.08 0.00 1.21 0.00 0.00 56.30 57.67 8tim h ASN 216 Cb 1.01 0.42 -0.10 0.00 -1.12 0.00 0.00 38.32 38.53 8tim h ASN 216 CO 0.03 -0.64 -0.40 0.00 -1.29 0.00 0.00 177.43 175.13 8tim h LYS 218 N 0.00 -0.20 -0.70 0.00 3.11 -1.86 0.35 116.57 117.27 8tim h LYS 218 Ca 0.17 0.01 0.14 0.00 -2.81 0.00 0.00 60.65 58.16 8tim h LYS 218 Cb 0.36 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 31.53 8tim h LYS 218 CO -0.73 -0.13 0.19 1.05 -2.81 0.00 0.00 179.45 177.02 8tim h GLU 219 N -0.21 0.30 0.05 1.90 4.11 -1.59 0.81 114.58 119.95 8tim h GLU 219 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 8tim h GLU 219 Cb 0.53 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 8tim h GLU 219 CO -0.75 0.20 -0.02 -0.07 0.07 0.00 0.00 179.01 178.43 8tim h LEU 220 N 0.31 -0.05 -1.15 3.06 3.38 -0.63 -3.21 115.31 117.02 8tim h LEU 220 Ca 0.38 -0.41 0.20 0.00 0.09 0.00 0.00 57.88 58.14 8tim h LEU 220 Cb 0.62 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 8tim h LEU 220 CO -0.45 0.39 0.61 0.00 0.09 0.00 0.00 178.44 179.09 8tim h ALA 221 N 0.41 1.83 -0.96 1.53 0.00 0.33 -0.50 119.26 121.89 8tim h ALA 221 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.09 8tim h ALA 221 Cb 0.46 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 8tim h ALA 221 CO 0.01 -0.18 0.58 0.66 0.00 0.00 0.00 179.25 180.33 8tim h SER 222 N 0.67 0.83 -3.53 0.00 4.64 -0.87 -3.44 113.55 111.85 8tim h SER 222 Ca 0.55 0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 61.37 8tim h SER 222 Cb 0.99 -0.10 0.18 0.00 -0.31 0.00 0.00 62.40 63.15 8tim h SER 222 CO -0.33 0.42 -0.07 0.00 -0.87 0.00 0.00 176.83 175.98 8tim n GLN 223 N -4.69 0.50 0.27 4.77 1.13 -0.20 -4.98 117.38 114.20 8tim n GLN 223 Ca 0.19 0.22 -0.16 0.00 -1.94 0.00 0.00 57.00 55.30 8tim n GLN 223 Cb 0.38 -2.07 -0.08 0.00 0.11 0.00 0.00 30.24 28.58 8tim n GLN 223 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 8tim h HIS 224 N -0.15 -0.59 -0.57 1.08 2.76 -1.86 -3.31 115.15 112.51 8tim h HIS 224 Ca -0.47 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 8tim h HIS 224 Cb 1.35 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.50 8tim h HIS 224 CO 0.37 -0.36 0.00 -0.25 -1.30 0.00 0.00 177.93 176.39 8tim n ASP 225 N -5.36 5.73 -4.52 3.26 8.00 -1.26 -4.93 116.55 117.47 8tim n ASP 225 Ca -0.12 -2.94 -0.37 0.00 0.71 0.00 0.00 54.79 52.08 8tim n ASP 225 Cb 0.27 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 40.57 8tim n ASP 225 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 8tim s VAL 226 N -2.77 4.69 -0.37 2.53 -7.23 -1.25 -4.72 120.40 111.28 8tim s VAL 226 Ca 0.55 -0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.75 8tim s VAL 226 Cb 0.42 -3.19 0.63 0.00 0.56 0.00 0.00 36.38 34.79 8tim s VAL 226 CO 0.16 0.33 1.63 0.47 -0.31 0.00 0.00 175.10 177.39 8tim n ASP 227 N 4.71 4.38 0.00 4.85 8.00 0.25 -4.90 116.55 133.85 8tim n ASP 227 Ca -0.16 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.33 8tim n ASP 227 Cb 0.52 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 8tim n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 8tim n GLY 228 N -0.07 0.84 3.36 0.44 0.00 -1.26 -1.96 105.19 106.54 8tim n GLY 228 Ca 0.34 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 8tim n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 8tim s PHE 229 N -3.46 -0.36 -0.39 1.61 0.40 -0.57 -0.83 117.98 114.39 8tim s PHE 229 Ca 0.00 0.45 -0.14 0.00 -0.60 0.00 0.00 56.93 56.64 8tim s PHE 229 Cb 0.00 0.26 0.01 0.00 0.51 0.00 0.00 43.02 43.80 8tim s PHE 229 CO 0.00 -0.56 0.28 -1.17 0.70 0.00 0.00 175.22 174.46 8tim s LEU 230 N -1.74 4.91 -0.12 -0.37 2.96 -0.27 -0.19 118.68 123.86 8tim s LEU 230 Ca -0.08 -0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 53.05 8tim s LEU 230 Cb -0.01 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 8tim s LEU 230 CO 0.01 -0.38 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.90 8tim s VAL 231 N 1.68 3.62 0.00 1.68 1.01 0.15 -4.34 120.40 124.21 8tim s VAL 231 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.56 8tim s VAL 231 Cb -0.19 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.66 8tim s VAL 231 CO 0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.34 8tim n GLY 232 N 3.12 0.11 0.33 4.51 0.00 -1.26 0.88 105.19 112.89 8tim n GLY 232 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.87 8tim n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 8tim h GLY 233 N 0.00 0.48 2.00 -0.02 0.00 -1.91 0.44 103.07 104.06 8tim h GLY 233 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.67 8tim h GLY 233 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.24 8tim n ALA 234 N -3.42 1.51 0.54 3.60 0.00 -1.26 -2.26 120.51 119.22 8tim n ALA 234 Ca 0.12 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.75 8tim n ALA 234 Cb 0.43 -1.32 0.45 0.00 0.00 0.00 0.00 19.45 19.01 8tim n ALA 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 8tim n SER 235 N -2.04 0.72 -0.39 0.00 3.41 0.16 -2.76 113.62 112.72 8tim n SER 235 Ca 0.02 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 8tim n SER 235 Cb 0.17 -0.79 0.55 0.00 -0.26 0.00 0.00 64.21 63.88 8tim n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 8tim n LEU 236 N -2.22 1.19 -4.46 1.04 4.77 -0.96 -4.87 117.00 111.49 8tim n LEU 236 Ca 0.04 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 8tim n LEU 236 Cb 0.34 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.30 8tim n LEU 236 CO 0.26 0.22 -0.26 -0.54 -1.33 0.00 0.00 177.39 175.74 8tim s LYS 237 N -1.94 1.69 0.63 3.23 1.02 -1.11 -5.00 119.74 118.27 8tim s LYS 237 Ca 0.37 -1.96 0.36 0.00 0.02 0.00 0.00 55.97 54.76 8tim s LYS 237 Cb 0.19 -0.82 2.07 0.00 -0.52 0.00 0.00 37.83 38.75 8tim s LYS 237 CO 0.31 -0.24 2.27 -1.00 -0.92 0.00 0.00 175.35 175.77 8tim h PRO 238 N 2.06 0.00 0.00 -1.68 0.13 -1.92 -2.73 132.00 127.86 8tim h PRO 238 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 8tim h PRO 238 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 8tim h PRO 238 CO 0.68 0.00 0.41 1.49 -0.23 0.00 0.00 178.00 180.35 8tim h GLU 239 N 0.00 0.00 -0.70 0.86 4.81 -1.95 0.19 114.58 117.79 8tim h GLU 239 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 8tim h GLU 239 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 8tim h GLU 239 CO -0.00 0.00 0.26 0.35 -0.73 0.00 0.00 179.01 178.89 8tim h PHE 240 N 0.00 1.08 -0.91 0.92 3.57 -1.55 0.13 116.94 120.19 8tim h PHE 240 Ca 0.00 -0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.50 8tim h PHE 240 Cb 0.83 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 8tim h PHE 240 CO 0.00 0.85 0.59 0.28 -2.23 0.00 0.00 178.31 177.79 8tim h VAL 241 N 1.01 0.99 -0.59 1.41 2.07 -1.20 1.58 116.25 121.53 8tim h VAL 241 Ca 0.23 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 8tim h VAL 241 Cb 0.24 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 8tim h VAL 241 CO -0.02 0.17 0.36 0.44 0.02 0.00 0.00 177.57 178.54 8tim h ASP 242 N 0.94 0.70 0.07 0.57 3.32 -1.34 -1.06 116.42 119.63 8tim h ASP 242 Ca 0.41 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 8tim h ASP 242 Cb 0.35 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.73 8tim h ASP 242 CO -0.18 0.55 -0.04 0.40 -1.72 0.00 0.00 179.24 178.26 8tim h ILE 243 N 0.79 1.14 -0.67 0.35 2.04 0.27 -2.71 117.51 118.72 8tim h ILE 243 Ca 0.21 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.38 8tim h ILE 243 Cb -0.02 1.65 -0.12 0.00 -0.74 0.00 0.00 36.82 37.59 8tim h ILE 243 CO -0.04 0.19 -0.43 0.40 0.00 0.00 0.00 178.15 178.27 8tim h ILE 244 N -0.46 0.07 0.00 -0.67 2.04 0.22 0.55 117.51 119.26 8tim h ILE 244 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 8tim h ILE 244 Cb 0.39 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 8tim h ILE 244 CO 0.02 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.76 8tim n ASN 245 N -5.41 1.81 0.00 1.72 3.02 -0.42 -4.57 115.26 111.41 8tim n ASN 245 Ca 0.03 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 8tim n ASN 245 Cb 0.35 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 8tim n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 8tim n ALA 246 N 0.25 0.00 -1.52 5.41 0.00 0.19 -4.08 120.51 120.77 8tim n ALA 246 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 8tim n ALA 246 Cb 0.35 0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.67 8tim n ALA 246 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 8tim n LYS 247 N -0.53 0.22 0.00 0.00 4.81 -1.26 -4.87 118.16 116.52 8tim n LYS 247 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 8tim n LYS 247 Cb 0.00 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.16 8tim n LYS 247 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29