#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8tim s PRO 3 N 0.00 0.42 -0.25 0.00 0.04 -1.26 -4.95 135.00 129.00 8tim s PRO 3 Ca 0.00 0.74 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 8tim s PRO 3 Cb 0.00 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 8tim s PRO 3 CO 0.00 -2.80 0.22 1.03 0.04 0.00 0.00 177.00 175.49 8tim s ARG 4 N -4.83 4.05 -0.03 4.56 0.52 -1.26 -5.05 118.95 116.91 8tim s ARG 4 Ca 0.65 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 8tim s ARG 4 Cb -0.20 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 8tim s ARG 4 CO 0.59 -0.05 1.53 0.21 0.02 0.00 0.00 175.30 177.60 8tim s LYS 5 N 1.37 4.22 -0.01 3.54 2.47 -1.26 -4.92 119.74 125.15 8tim s LYS 5 Ca 0.10 2.07 -0.36 0.00 -1.56 0.00 0.00 55.97 56.22 8tim s LYS 5 Cb -0.15 -3.77 -0.14 0.00 -1.46 0.00 0.00 37.83 32.31 8tim s LYS 5 CO 0.07 -0.73 1.66 0.34 0.16 0.00 0.00 175.35 176.86 8tim n PHE 6 N 6.30 2.12 -4.75 4.03 7.35 -1.25 -4.84 117.46 126.42 8tim n PHE 6 Ca 0.15 0.29 -0.33 0.00 -0.76 0.00 0.00 57.45 56.80 8tim n PHE 6 Cb 0.43 -2.53 -0.13 0.00 0.35 0.00 0.00 39.48 37.59 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 2.31 2.82 -0.24 -5.13 2.19 0.13 0.01 117.98 120.07 8tim s PHE 7 Ca 0.88 -0.40 -0.01 0.00 0.33 0.00 0.00 56.93 57.73 8tim s PHE 7 Cb -0.80 -1.78 0.07 0.00 -1.31 0.00 0.00 43.02 39.20 8tim s PHE 7 CO 0.49 -0.02 0.02 0.08 1.83 0.00 0.00 175.22 177.61 8tim s VAL 8 N -0.07 1.00 -0.12 3.12 1.01 0.25 0.30 120.40 125.89 8tim s VAL 8 Ca -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 8tim s VAL 8 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 8tim s VAL 8 CO 0.04 -0.27 0.03 -0.83 0.00 0.00 0.00 175.10 174.06 8tim s GLY 9 N 1.62 1.89 -0.19 4.51 0.00 0.62 -2.02 107.32 113.75 8tim s GLY 9 Ca -0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.93 8tim s GLY 9 CO -0.11 -0.34 -0.09 -0.32 0.00 0.00 0.00 173.10 172.24 8tim s GLY 10 N -0.47 1.56 -0.39 0.20 0.00 0.19 -0.26 107.32 108.15 8tim s GLY 10 Ca 0.09 -1.08 -0.08 0.00 0.00 0.00 0.00 44.72 43.65 8tim s GLY 10 CO 0.02 0.21 0.20 0.21 0.00 0.00 0.00 173.10 173.74 8tim s ASN 11 N 1.08 5.49 0.56 1.64 3.84 0.67 0.14 114.94 128.36 8tim s ASN 11 Ca 0.00 -1.42 0.34 0.00 0.21 0.00 0.00 52.86 52.00 8tim s ASN 11 Cb -0.15 -1.93 1.47 0.00 -0.55 0.00 0.00 41.25 40.09 8tim s ASN 11 CO -0.02 -0.46 2.02 -0.50 -2.79 0.00 0.00 177.10 175.35 8tim h TRP 12 N 8.31 0.00 0.00 0.43 6.55 -1.48 -3.41 115.95 126.34 8tim h TRP 12 Ca -0.22 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.62 8tim h TRP 12 Cb 1.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 8tim h TRP 12 CO 0.60 0.02 0.00 1.63 -1.05 0.00 0.00 178.44 179.64 8tim n LYS 13 N -3.13 0.00 -2.92 0.49 5.02 -1.26 -3.00 118.16 113.36 8tim n LYS 13 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 8tim n LYS 13 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.30 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 5.46 4.21 -3.99 1.97 0.00 -1.26 -4.28 117.12 119.23 8tim n MET 14 Ca 0.00 -4.35 -0.09 0.00 -0.00 0.00 0.00 57.70 53.26 8tim n MET 14 Cb 0.00 -2.60 -0.11 0.00 0.00 0.00 0.00 33.22 30.51 8tim n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 8tim s ASN 15 N -0.86 0.30 0.00 6.12 0.01 -1.16 -5.16 114.94 114.18 8tim s ASN 15 Ca 0.33 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 8tim s ASN 15 Cb 0.04 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.80 8tim s ASN 15 CO 0.07 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 8tim n GLY 16 N 1.53 2.45 3.29 0.66 0.00 -1.26 -4.78 105.19 107.08 8tim n GLY 16 Ca -0.24 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.70 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 0.00 1.40 0.15 1.61 -4.77 -1.26 -4.95 116.67 108.85 8tim s ASP 17 Ca 0.00 -1.68 -0.14 0.00 -3.30 0.00 0.00 52.55 47.43 8tim s ASP 17 Cb 0.00 0.54 0.04 0.00 -1.09 0.00 0.00 42.92 42.41 8tim s ASP 17 CO 0.00 -1.06 1.71 0.11 0.70 0.00 0.00 175.17 176.63 8tim h LYS 18 N 2.20 0.75 0.51 2.11 1.57 -2.00 0.59 116.57 122.29 8tim h LYS 18 Ca -0.27 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 8tim h LYS 18 Cb 1.23 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.42 8tim h LYS 18 CO 0.39 0.66 -0.29 -0.22 -0.57 0.00 0.00 179.45 179.41 8tim h LYS 19 N 0.67 -0.71 -0.36 3.15 3.64 -1.98 0.70 116.57 121.68 8tim h LYS 19 Ca 0.17 0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 8tim h LYS 19 Cb 0.19 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 8tim h LYS 19 CO -0.01 -0.48 -0.00 0.66 -2.27 0.00 0.00 179.45 177.35 8tim h SER 20 N -0.74 0.53 -0.27 4.20 4.64 -1.96 -1.05 113.55 118.91 8tim h SER 20 Ca -0.07 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.09 8tim h SER 20 Cb 0.59 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 8tim h SER 20 CO 0.08 0.61 -0.06 0.25 -0.87 0.00 0.00 176.83 176.84 8tim h LEU 21 N 0.54 0.52 -0.87 5.97 5.85 -0.58 -2.39 115.31 124.35 8tim h LEU 21 Ca 0.11 -0.36 0.16 0.00 0.84 0.00 0.00 57.88 58.63 8tim h LEU 21 Cb 0.35 -0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 8tim h LEU 21 CO 0.01 0.76 0.45 1.23 -0.34 0.00 0.00 178.44 180.55 8tim h GLY 22 N 0.27 1.44 0.47 3.75 0.00 0.82 0.24 103.07 110.06 8tim h GLY 22 Ca 0.07 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.22 8tim h GLY 22 CO 0.03 -0.07 0.10 0.83 0.00 0.00 0.00 176.54 177.42 8tim h GLU 23 N 0.61 0.23 -0.14 4.80 4.39 -0.70 -1.03 114.58 122.74 8tim h GLU 23 Ca 0.49 -0.01 -0.21 0.00 0.34 0.00 0.00 59.36 59.97 8tim h GLU 23 Cb 0.74 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 8tim h GLU 23 CO -0.39 0.15 -0.75 1.25 -1.16 0.00 0.00 179.01 178.12 8tim h LEU 24 N 0.24 0.81 -0.81 1.33 5.85 -0.89 -2.69 115.31 119.15 8tim h LEU 24 Ca 0.21 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 58.54 8tim h LEU 24 Cb 0.26 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 8tim h LEU 24 CO -0.27 1.30 0.42 0.40 -0.34 0.00 0.00 178.44 179.95 8tim h ILE 25 N 0.47 0.79 0.34 4.05 2.04 -0.32 0.12 117.51 125.00 8tim h ILE 25 Ca -0.04 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 8tim h ILE 25 Cb 1.36 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 8tim h ILE 25 CO 0.15 0.12 -0.47 -0.74 0.00 0.00 0.00 178.15 177.20 8tim h HIS 26 N 0.65 -1.32 -0.55 1.37 2.76 -0.90 0.30 115.15 117.45 8tim h HIS 26 Ca 0.42 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.61 8tim h HIS 26 Cb 0.53 0.53 -0.03 0.00 1.55 0.00 0.00 27.41 29.99 8tim h HIS 26 CO -0.09 -0.61 0.35 1.15 -1.30 0.00 0.00 177.93 177.43 8tim h THR 27 N -0.86 1.15 0.53 6.26 2.02 -1.09 -2.70 112.91 118.22 8tim h THR 27 Ca -0.03 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 8tim h THR 27 Cb 0.79 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.55 8tim h THR 27 CO -0.14 0.15 -0.25 -0.07 0.37 0.00 0.00 175.52 175.57 8tim h LEU 28 N 0.75 -0.60 -0.76 2.58 4.07 -0.35 -3.05 115.31 117.95 8tim h LEU 28 Ca 0.20 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.31 8tim h LEU 28 Cb -0.06 0.16 -0.14 0.00 1.08 0.00 0.00 40.66 41.69 8tim h LEU 28 CO -0.04 -0.19 -0.25 0.78 -1.08 0.00 0.00 178.44 177.66 8tim h ASN 29 N -1.17 -0.90 -0.05 -0.43 4.21 -0.36 0.26 115.58 117.14 8tim h ASN 29 Ca -0.07 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.68 8tim h ASN 29 Cb 0.57 0.54 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 8tim h ASN 29 CO 0.12 -0.27 0.00 0.61 -1.29 0.00 0.00 177.43 176.60 8tim n GLY 30 N -1.49 -0.09 4.00 2.83 0.00 -1.03 -4.86 105.19 104.55 8tim n GLY 30 Ca 0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 8tim n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8tim s ALA 31 N -1.71 4.58 -0.23 4.61 0.00 0.92 -5.05 121.76 124.88 8tim s ALA 31 Ca 0.04 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.04 8tim s ALA 31 Cb 0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 8tim s ALA 31 CO 0.02 -0.61 0.00 -1.59 0.00 0.00 0.00 175.76 173.59 8tim s LYS 32 N -4.49 3.46 -0.02 0.00 -2.85 -1.26 -5.04 119.74 109.54 8tim s LYS 32 Ca 0.56 -0.58 0.07 0.00 -1.00 0.00 0.00 55.97 55.02 8tim s LYS 32 Cb -0.06 -3.14 -0.02 0.00 -2.06 0.00 0.00 37.83 32.55 8tim s LYS 32 CO 0.34 -0.21 -0.23 -0.51 0.10 0.00 0.00 175.35 174.85 8tim s LEU 33 N 1.53 2.05 0.31 2.77 1.43 -1.26 -4.98 118.68 120.52 8tim s LEU 33 Ca 0.06 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 8tim s LEU 33 Cb -0.15 -1.19 -0.13 0.00 0.03 0.00 0.00 46.19 44.75 8tim s LEU 33 CO -0.00 0.28 1.28 -1.20 0.23 0.00 0.00 176.35 176.94 8tim n SER 34 N 2.50 2.56 0.05 2.29 7.64 -1.26 -4.86 113.62 122.55 8tim n SER 34 Ca -0.16 1.19 0.10 0.00 1.01 0.00 0.00 58.87 61.01 8tim n SER 34 Cb 0.52 -1.44 0.41 0.00 -1.01 0.00 0.00 64.21 62.69 8tim n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 8tim n ALA 35 N 0.73 1.78 0.15 -0.43 0.00 -1.26 -1.29 120.51 120.19 8tim n ALA 35 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 8tim n ALA 35 Cb 0.34 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.69 8tim n ALA 35 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 8tim h ASP 36 N 0.00 0.02 -2.98 0.00 5.19 -1.96 -3.44 116.42 113.25 8tim h ASP 36 Ca 0.00 -0.01 -0.63 0.00 -0.62 0.00 0.00 57.03 55.77 8tim h ASP 36 Cb 0.35 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 8tim h ASP 36 CO 0.00 0.55 -0.53 -0.89 -3.12 0.00 0.00 179.24 175.25 8tim s THR 37 N -3.82 5.14 -0.33 0.35 2.01 -0.41 -3.77 115.64 114.81 8tim s THR 37 Ca -0.02 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.45 8tim s THR 37 Cb 0.13 -3.49 0.04 0.00 0.01 0.00 0.00 72.50 69.20 8tim s THR 37 CO 0.75 0.15 0.08 -0.70 -0.69 0.00 0.00 174.62 174.22 8tim s GLU 38 N -2.42 2.55 -0.03 4.92 2.12 0.10 -4.92 118.70 121.02 8tim s GLU 38 Ca 0.33 -1.22 0.07 0.00 0.36 0.00 0.00 54.97 54.50 8tim s GLU 38 Cb -0.13 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 8tim s GLU 38 CO 0.25 -0.67 -0.25 0.14 -0.54 0.00 0.00 175.26 174.20 8tim s VAL 39 N 1.35 2.10 0.00 3.70 -7.23 -1.26 0.85 120.40 119.91 8tim s VAL 39 Ca -0.02 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.10 8tim s VAL 39 Cb -0.20 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 8tim s VAL 39 CO 0.02 0.58 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.60 8tim s VAL 40 N -0.47 0.70 -0.11 1.32 1.01 -0.86 0.21 120.40 122.20 8tim s VAL 40 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.61 8tim s VAL 40 Cb -0.11 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.66 8tim s VAL 40 CO 0.01 0.14 -0.23 0.00 0.00 0.00 0.00 175.10 175.02 8tim s GLY 42 N 0.45 2.11 0.28 0.00 0.00 0.12 0.45 107.32 110.73 8tim s GLY 42 Ca -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 44.72 41.98 8tim s GLY 42 CO 0.06 1.16 0.45 0.00 0.00 0.00 0.00 173.10 174.77 8tim s ALA 43 N 1.36 3.81 0.45 3.20 0.00 -1.12 -1.37 121.76 128.08 8tim s ALA 43 Ca 0.06 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 8tim s ALA 43 Cb -0.27 -1.94 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 8tim s ALA 43 CO 0.00 0.15 1.38 -2.14 0.00 0.00 0.00 175.76 175.15 8tim s PRO 44 N -4.05 3.73 0.20 0.00 0.02 -1.26 -4.08 135.00 129.56 8tim s PRO 44 Ca 0.37 2.32 -0.20 0.00 0.02 0.00 0.00 61.00 63.51 8tim s PRO 44 Cb -0.10 -2.65 0.16 0.00 0.02 0.00 0.00 34.50 31.93 8tim s PRO 44 CO 0.32 -0.75 1.57 0.66 -0.33 0.00 0.00 177.00 178.47 8tim h SER 45 N 2.35 -1.34 -1.04 2.53 4.64 -1.96 0.75 113.55 119.49 8tim h SER 45 Ca -0.50 0.27 0.30 0.00 -0.47 0.00 0.00 61.79 61.39 8tim h SER 45 Cb 1.26 0.67 -0.04 0.00 -0.31 0.00 0.00 62.40 63.98 8tim h SER 45 CO 0.61 -0.30 0.84 0.16 -0.87 0.00 0.00 176.83 177.28 8tim h ILE 46 N -0.10 0.33 -0.26 0.95 3.07 -2.03 -2.30 117.51 117.16 8tim h ILE 46 Ca 0.27 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.68 8tim h ILE 46 Cb 0.57 0.39 -0.00 0.00 -0.27 0.00 0.00 36.82 37.50 8tim h ILE 46 CO -0.82 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.06 8tim n TYR 47 N -3.95 0.95 -0.01 0.16 4.01 0.26 -4.74 117.16 113.85 8tim n TYR 47 Ca 0.22 -0.90 -0.13 0.00 -0.16 0.00 0.00 57.90 56.94 8tim n TYR 47 Cb 1.19 -0.32 -0.10 0.00 -0.31 0.00 0.00 39.34 39.80 8tim n TYR 47 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 8tim h LEU 48 N 1.78 -0.01 -0.32 7.72 5.85 -1.13 -1.93 115.31 127.26 8tim h LEU 48 Ca 0.01 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.30 8tim h LEU 48 Cb 1.45 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 8tim h LEU 48 CO 0.23 0.46 0.12 -0.78 -0.34 0.00 0.00 178.44 178.12 8tim h ASP 49 N -0.48 0.14 -0.51 1.25 3.58 -1.85 0.42 116.42 118.97 8tim h ASP 49 Ca -0.00 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 8tim h ASP 49 Cb 0.47 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 8tim h ASP 49 CO 0.00 0.12 0.06 0.15 -2.88 0.00 0.00 179.24 176.69 8tim h PHE 50 N 0.26 0.96 0.35 0.28 3.57 -1.87 0.87 116.94 121.36 8tim h PHE 50 Ca 0.14 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 8tim h PHE 50 Cb 0.10 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.58 8tim h PHE 50 CO -0.13 0.84 -0.17 0.00 -2.23 0.00 0.00 178.31 176.62 8tim h ALA 51 N 1.20 -0.47 -0.54 2.41 0.00 -0.81 -0.81 119.26 120.24 8tim h ALA 51 Ca 0.17 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 8tim h ALA 51 Cb 0.42 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 8tim h ALA 51 CO 0.01 -0.72 0.29 -0.09 0.00 0.00 0.00 179.25 178.74 8tim h ARG 52 N -0.56 0.54 -0.97 0.00 9.65 0.27 0.54 114.38 123.84 8tim h ARG 52 Ca -0.05 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 8tim h ARG 52 Cb 0.42 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 28.83 8tim h ARG 52 CO 0.08 0.35 0.63 1.96 2.80 0.00 0.00 179.97 185.80 8tim h GLN 53 N 0.55 1.29 0.00 0.20 4.20 0.10 -3.30 115.11 118.15 8tim h GLN 53 Ca 0.24 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 8tim h GLN 53 Cb 0.13 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 8tim h GLN 53 CO -0.16 0.86 -1.88 1.63 -0.67 0.00 0.00 178.83 178.62 8tim n LYS 54 N -4.39 0.65 -2.25 1.46 4.01 -0.33 -4.96 118.16 112.35 8tim n LYS 54 Ca 0.11 -0.02 -0.36 0.00 -0.51 0.00 0.00 58.31 57.53 8tim n LYS 54 Cb 0.02 -1.62 -0.00 0.00 -0.51 0.00 0.00 35.03 32.92 8tim n LYS 54 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 8tim s LEU 55 N -5.15 3.87 0.36 -0.35 2.01 0.18 -4.94 118.68 114.66 8tim s LEU 55 Ca -0.07 2.24 -0.27 0.00 0.01 0.00 0.00 54.13 56.05 8tim s LEU 55 Cb 0.10 -4.42 -0.09 0.00 0.01 0.00 0.00 46.19 41.79 8tim s LEU 55 CO 0.85 -1.09 1.21 -0.62 1.01 0.00 0.00 176.35 177.71 8tim s ASP 56 N -1.57 6.69 0.51 2.29 2.15 -1.26 -4.87 116.67 120.60 8tim s ASP 56 Ca 0.69 2.46 0.32 0.00 0.43 0.00 0.00 52.55 56.45 8tim s ASP 56 Cb -0.26 -2.63 1.44 0.00 -0.30 0.00 0.00 42.92 41.17 8tim s ASP 56 CO 0.31 -0.57 1.79 0.00 -0.17 0.00 0.00 175.17 176.53 8tim h ALA 57 N 3.04 2.90 -0.27 3.66 0.00 -1.93 0.35 119.26 127.01 8tim h ALA 57 Ca -0.49 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 8tim h ALA 57 Cb 1.23 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 8tim h ALA 57 CO 0.64 -1.26 -0.02 0.87 0.00 0.00 0.00 179.25 179.48 8tim h LYS 58 N 0.10 0.40 -6.50 0.00 1.79 -1.97 -3.42 116.57 106.96 8tim h LYS 58 Ca 0.58 -0.08 -0.53 0.00 -2.18 0.00 0.00 60.65 58.44 8tim h LYS 58 Cb 2.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 32.66 8tim h LYS 58 CO -0.09 0.45 0.42 0.42 -1.08 0.00 0.00 179.45 179.58 8tim s ILE 59 N -4.93 4.44 0.34 1.86 1.01 0.11 -4.69 121.20 119.34 8tim s ILE 59 Ca -0.07 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.40 8tim s ILE 59 Cb 0.16 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 8tim s ILE 59 CO 0.75 0.21 0.61 -0.83 0.00 0.00 0.00 174.94 175.67 8tim s GLY 60 N 0.59 1.73 -0.09 6.18 0.00 0.55 -4.78 107.32 111.52 8tim s GLY 60 Ca 0.52 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.70 8tim s GLY 60 CO 0.30 -0.45 -0.17 0.14 0.00 0.00 0.00 173.10 172.91 8tim s VAL 61 N -2.24 1.57 -0.02 1.40 1.01 -1.26 -1.05 120.40 119.80 8tim s VAL 61 Ca 0.45 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.77 8tim s VAL 61 Cb -0.10 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 8tim s VAL 61 CO 0.33 0.45 -0.22 0.00 0.00 0.00 0.00 175.10 175.67 8tim s ALA 62 N 0.63 2.36 0.30 5.51 0.00 0.17 -1.38 121.76 129.34 8tim s ALA 62 Ca -0.14 -1.08 -0.13 0.00 0.00 0.00 0.00 51.96 50.61 8tim s ALA 62 Cb -0.16 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.18 8tim s ALA 62 CO 0.04 0.54 0.68 0.00 0.00 0.00 0.00 175.76 177.03 8tim s ALA 63 N -0.67 3.40 -2.27 0.00 0.00 0.85 -2.80 121.76 120.26 8tim s ALA 63 Ca 0.11 -0.08 0.21 0.00 0.00 0.00 0.00 51.96 52.20 8tim s ALA 63 Cb -0.10 -2.66 0.77 0.00 0.00 0.00 0.00 23.12 21.13 8tim s ALA 63 CO -0.00 0.35 1.56 1.04 0.00 0.00 0.00 175.76 178.70 8tim n GLN 64 N -0.41 1.69 0.00 0.00 6.02 -1.26 -1.38 117.38 122.05 8tim n GLN 64 Ca 0.02 -1.04 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 8tim n GLN 64 Cb 0.53 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 0.27 0.00 -3.66 1.08 5.15 -1.24 -4.67 115.26 112.19 8tim n ASN 65 Ca 0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 8tim n ASN 65 Cb 0.32 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.56 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 -2.81 2.90 -1.70 0.00 5.04 0.23 -4.94 117.35 116.06 8tim s TYR 67 Ca 0.15 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 8tim s TYR 67 Cb 0.01 -1.32 0.00 0.00 0.35 0.00 0.00 41.96 41.00 8tim s TYR 67 CO 0.01 0.56 0.39 1.63 -1.34 0.00 0.00 175.55 176.80 8tim n LYS 68 N -0.85 0.00 -4.15 4.97 5.02 -1.26 -4.52 118.16 117.37 8tim n LYS 68 Ca -0.08 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.12 8tim n LYS 68 Cb 0.58 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 8tim n LYS 68 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 8tim s VAL 69 N -1.84 0.34 0.01 -0.18 0.11 -1.26 -4.92 120.40 112.67 8tim s VAL 69 Ca 0.00 -1.89 -0.25 0.00 -2.93 0.00 0.00 61.98 56.91 8tim s VAL 69 Cb 0.00 -1.82 -0.14 0.00 -1.53 0.00 0.00 36.38 32.89 8tim s VAL 69 CO 0.00 -0.72 1.04 -0.65 -3.33 0.00 0.00 175.10 171.44 8tim h PRO 70 N 2.95 -0.86 -4.26 1.54 0.11 -1.98 -3.40 132.00 126.10 8tim h PRO 70 Ca -0.35 0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.67 8tim h PRO 70 Cb 1.17 0.20 -0.15 0.00 0.11 0.00 0.00 31.00 32.33 8tim h PRO 70 CO 0.63 -0.57 -0.59 -1.59 -0.21 0.00 0.00 178.00 175.66 8tim s LYS 71 N -4.46 0.86 0.00 1.05 -2.85 -1.26 -4.61 119.74 108.47 8tim s LYS 71 Ca -0.13 -1.31 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 8tim s LYS 71 Cb 0.01 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 8tim s LYS 71 CO 0.39 -0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.01 8tim n GLY 72 N -0.05 2.17 2.87 0.59 0.00 -1.26 -4.96 105.19 104.55 8tim n GLY 72 Ca -0.09 -1.57 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.48 2.64 -3.46 4.61 0.00 -1.26 -4.59 120.51 116.97 8tim n ALA 73 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 53.44 52.04 8tim n ALA 73 Cb 0.00 -2.83 -0.09 0.00 0.00 0.00 0.00 19.45 16.53 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 5.02 1.33 -1.68 0.00 3.72 -1.26 -5.09 117.46 119.50 8tim n PHE 74 Ca 0.23 -3.82 -0.45 0.00 -0.05 0.00 0.00 57.45 53.36 8tim n PHE 74 Cb 0.10 -0.31 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 8tim n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 8tim n THR 75 N 1.73 0.04 -0.82 4.37 -1.04 -1.26 -2.03 114.28 115.28 8tim n THR 75 Ca 0.25 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 8tim n THR 75 Cb 0.45 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 8tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 8tim n GLY 76 N 3.42 0.64 3.95 3.41 0.00 -1.26 -5.04 105.19 110.31 8tim n GLY 76 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.18 3.06 -0.01 1.61 0.41 -0.86 -5.15 118.70 117.58 8tim s GLU 77 Ca 0.00 -1.05 0.01 0.00 -0.41 0.00 0.00 54.97 53.52 8tim s GLU 77 Cb 0.00 -2.75 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 8tim s GLU 77 CO 0.00 0.12 -0.03 0.42 -0.49 0.00 0.00 175.26 175.28 8tim s ILE 78 N -2.18 0.26 0.11 -1.63 1.01 -1.26 -5.03 121.20 112.48 8tim s ILE 78 Ca 0.43 -0.10 0.05 0.00 0.00 0.00 0.00 60.65 61.03 8tim s ILE 78 Cb -0.09 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 8tim s ILE 78 CO 0.30 0.09 0.02 -0.94 0.00 0.00 0.00 174.94 174.41 8tim s SER 79 N 0.16 5.08 0.49 3.58 1.04 -1.26 0.76 113.70 123.55 8tim s SER 79 Ca -0.01 -0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.52 8tim s SER 79 Cb -0.04 -1.22 1.39 0.00 0.10 0.00 0.00 66.02 66.25 8tim s SER 79 CO -0.00 0.15 1.81 -0.65 0.98 0.00 0.00 173.24 175.53 8tim h PRO 80 N 3.21 0.13 -0.62 4.02 0.11 -1.79 1.37 132.00 138.42 8tim h PRO 80 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 8tim h PRO 80 Cb 1.17 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 8tim h PRO 80 CO 0.60 0.09 0.19 0.00 -0.21 0.00 0.00 178.00 178.67 8tim h ALA 81 N 1.51 1.17 -0.10 -0.75 0.00 -1.88 0.32 119.26 119.53 8tim h ALA 81 Ca 0.54 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 8tim h ALA 81 Cb 1.88 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.43 8tim h ALA 81 CO -0.10 0.58 -0.79 0.52 0.00 0.00 0.00 179.25 179.45 8tim h MET 82 N 0.91 0.60 0.39 0.00 2.86 0.14 -1.14 114.93 118.69 8tim h MET 82 Ca 0.20 -0.51 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 8tim h MET 82 Cb 0.27 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 8tim h MET 82 CO -0.01 1.13 -0.51 0.82 1.06 0.00 0.00 176.91 179.41 8tim h ILE 83 N 0.40 0.00 -1.11 -1.22 2.04 0.46 -1.10 117.51 116.98 8tim h ILE 83 Ca -0.05 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.14 8tim h ILE 83 Cb 1.40 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.36 8tim h ILE 83 CO 0.15 0.00 0.70 0.11 0.00 0.00 0.00 178.15 179.11 8tim h LYS 84 N -0.93 0.28 -0.13 2.37 1.57 -0.41 -0.91 116.57 118.41 8tim h LYS 84 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 8tim h LYS 84 Cb 0.83 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 8tim h LYS 84 CO -0.13 0.19 0.04 0.22 -0.57 0.00 0.00 179.45 179.20 8tim h ASP 85 N 0.29 0.19 0.20 0.86 3.58 0.11 -2.47 116.42 119.18 8tim h ASP 85 Ca 0.70 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.95 8tim h ASP 85 Cb 1.86 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.86 8tim h ASP 85 CO -0.42 0.34 0.00 2.30 -2.88 0.00 0.00 179.24 178.58 8tim n ILE 86 N -4.87 0.28 -0.57 2.25 -6.64 -0.38 -4.84 119.36 104.60 8tim n ILE 86 Ca -0.05 0.07 0.00 0.00 -1.77 0.00 0.00 62.75 61.00 8tim n ILE 86 Cb 0.14 -0.77 0.00 0.00 -1.44 0.00 0.00 39.64 37.56 8tim n ILE 86 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 8tim n GLY 87 N 0.21 0.66 3.83 3.28 0.00 -0.93 -4.81 105.19 107.43 8tim n GLY 87 Ca 0.11 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 3.06 -0.23 4.61 0.00 -1.01 -4.93 121.76 121.27 8tim s ALA 88 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.34 8tim s ALA 88 Cb 0.00 -3.12 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 8tim s ALA 88 CO 0.00 0.06 0.21 0.00 0.00 0.00 0.00 175.76 176.03 8tim n ALA 89 N -0.83 2.63 -2.38 0.00 0.00 -0.48 -3.90 120.51 115.55 8tim n ALA 89 Ca 0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 8tim n ALA 89 Cb 0.54 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.50 1.80 -0.04 0.00 0.52 -0.84 -0.71 118.94 118.16 8tim s TRP 90 Ca 0.02 -0.70 -0.03 0.00 0.02 0.00 0.00 56.10 55.41 8tim s TRP 90 Cb 0.04 -0.97 0.02 0.00 -1.15 0.00 0.00 33.47 31.41 8tim s TRP 90 CO 0.20 0.25 0.10 0.54 0.02 0.00 0.00 176.95 178.06 8tim s VAL 91 N -3.07 -0.02 -0.33 4.03 0.11 -0.11 -0.11 120.40 120.90 8tim s VAL 91 Ca 0.27 0.08 -0.16 0.00 -2.93 0.00 0.00 61.98 59.24 8tim s VAL 91 Cb 0.03 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 8tim s VAL 91 CO 0.10 0.03 0.43 -0.63 -3.33 0.00 0.00 175.10 171.70 8tim s ILE 92 N 0.53 5.10 -0.05 7.04 1.01 -0.48 -0.38 121.20 133.98 8tim s ILE 92 Ca -0.04 0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.96 8tim s ILE 92 Cb -0.06 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.56 8tim s ILE 92 CO -0.02 -0.08 -0.15 -0.76 0.00 0.00 0.00 174.94 173.93 8tim s LEU 93 N 2.19 1.83 -0.11 2.97 1.43 0.10 -3.61 118.68 123.48 8tim s LEU 93 Ca 0.16 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.94 8tim s LEU 93 Cb -0.16 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.19 8tim s LEU 93 CO 0.12 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.42 8tim n GLY 94 N 3.34 0.34 3.71 -3.19 0.00 -1.26 -1.76 105.19 106.37 8tim n GLY 94 Ca -0.19 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.95 2.68 -0.26 1.61 -0.00 -1.26 -4.42 115.22 109.62 8tim n HIS 95 Ca -0.02 0.12 0.32 0.00 0.46 0.00 0.00 57.72 58.61 8tim n HIS 95 Cb 0.51 -2.64 0.74 0.00 -0.12 0.00 0.00 29.99 28.48 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 6.24 0.00 -0.20 0.26 4.64 -1.96 0.11 113.55 122.64 8tim h SER 96 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 8tim h SER 96 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 8tim h SER 96 CO 0.91 0.00 -0.18 -0.33 -0.87 0.00 0.00 176.83 176.37 8tim h GLU 97 N 0.00 0.48 -0.63 4.77 5.08 -1.97 0.20 114.58 122.51 8tim h GLU 97 Ca 0.50 -0.24 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 8tim h GLU 97 Cb 2.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.27 8tim h GLU 97 CO -0.01 0.81 0.35 0.00 -1.00 0.00 0.00 179.01 179.17 8tim h ARG 98 N 0.16 0.65 0.83 2.33 2.47 -1.24 1.97 114.38 121.55 8tim h ARG 98 Ca 0.04 -0.04 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 8tim h ARG 98 Cb 0.71 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.89 8tim h ARG 98 CO 0.05 0.43 -0.40 0.00 0.56 0.00 0.00 179.97 180.61 8tim h ARG 99 N 0.67 -1.07 0.00 0.04 3.08 -0.92 -0.30 114.38 115.88 8tim h ARG 99 Ca 0.27 0.07 -0.22 0.00 0.07 0.00 0.00 59.98 60.18 8tim h ARG 99 Cb 0.14 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 8tim h ARG 99 CO -0.16 -0.71 -1.79 0.72 -1.07 0.00 0.00 179.97 176.96 8tim n HIS 100 N -5.56 0.59 0.05 3.04 8.25 0.70 -0.92 115.22 121.37 8tim n HIS 100 Ca -0.15 0.20 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 8tim n HIS 100 Cb 0.45 -1.00 -0.14 0.00 1.12 0.00 0.00 29.99 30.41 8tim n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 8tim h VAL 101 N 0.00 1.12 -0.30 1.59 2.07 0.29 -3.38 116.25 117.65 8tim h VAL 101 Ca -0.26 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.78 8tim h VAL 101 Cb 1.74 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.36 8tim h VAL 101 CO 0.04 0.75 0.00 0.49 0.02 0.00 0.00 177.57 178.87 8tim n PHE 102 N -3.86 0.37 -1.02 1.57 3.72 -0.51 -4.98 117.46 112.75 8tim n PHE 102 Ca -0.22 -0.18 -0.01 0.00 -0.05 0.00 0.00 57.45 56.99 8tim n PHE 102 Cb 0.95 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 1.46 0.47 3.72 1.37 0.00 -0.10 -4.93 105.19 107.19 8tim n GLY 103 Ca 0.18 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.72 4.29 0.30 1.61 2.02 -0.27 -4.97 118.70 120.98 8tim s GLU 104 Ca 0.00 2.17 0.02 0.00 0.02 0.00 0.00 54.97 57.18 8tim s GLU 104 Cb 0.00 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.99 8tim s GLU 104 CO 0.00 -0.46 0.48 -1.54 0.02 0.00 0.00 175.26 173.76 8tim s SER 105 N 0.95 6.31 0.13 -0.19 1.04 -1.26 -4.55 113.70 116.13 8tim s SER 105 Ca 0.65 0.34 -0.26 0.00 0.48 0.00 0.00 55.95 57.15 8tim s SER 105 Cb -0.39 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 63.68 8tim s SER 105 CO 0.33 -0.21 1.45 0.44 0.98 0.00 0.00 173.24 176.23 8tim h ASP 106 N 0.98 -1.73 -0.87 7.02 5.19 -1.99 0.51 116.42 125.53 8tim h ASP 106 Ca -0.50 0.25 0.06 0.00 -0.62 0.00 0.00 57.03 56.22 8tim h ASP 106 Cb 1.22 0.75 -0.06 0.00 0.18 0.00 0.00 39.33 41.42 8tim h ASP 106 CO 0.62 -0.24 0.57 -0.08 -3.12 0.00 0.00 179.24 176.99 8tim h GLU 107 N -0.11 0.96 0.53 3.56 4.81 -1.94 -1.45 114.58 120.94 8tim h GLU 107 Ca 0.11 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 8tim h GLU 107 Cb 0.39 -0.22 0.01 0.00 0.63 0.00 0.00 28.75 29.56 8tim h GLU 107 CO -0.69 0.64 -0.26 1.25 -0.73 0.00 0.00 179.01 179.22 8tim h LEU 108 N 0.99 -0.60 -0.59 1.64 6.46 -0.59 0.11 115.31 122.74 8tim h LEU 108 Ca 0.37 -0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.20 8tim h LEU 108 Cb 0.18 0.16 -0.11 0.00 -0.73 0.00 0.00 40.66 40.16 8tim h LEU 108 CO -0.13 -0.33 -0.30 0.40 -0.62 0.00 0.00 178.44 177.46 8tim h ILE 109 N -0.87 0.21 -0.83 4.05 2.04 -0.27 0.50 117.51 122.34 8tim h ILE 109 Ca -0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.87 8tim h ILE 109 Cb 0.61 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 8tim h ILE 109 CO 0.12 0.00 0.49 1.23 0.00 0.00 0.00 178.15 179.99 8tim h GLY 110 N -0.14 1.27 1.08 5.37 0.00 -1.02 0.84 103.07 110.48 8tim h GLY 110 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 8tim h GLY 110 CO -0.67 0.17 0.44 1.46 0.00 0.00 0.00 176.54 177.94 8tim h GLN 111 N 0.84 1.20 -0.51 4.80 4.20 0.19 -2.16 115.11 123.67 8tim h GLN 111 Ca 0.39 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.94 8tim h GLN 111 Cb 0.30 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 8tim h GLN 111 CO -0.22 0.90 0.32 0.87 -0.67 0.00 0.00 178.83 180.02 8tim h LYS 112 N 1.19 0.69 0.06 1.46 1.57 0.16 -2.05 116.57 119.65 8tim h LYS 112 Ca 0.29 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 8tim h LYS 112 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 8tim h LYS 112 CO -0.04 0.48 -0.10 0.28 -0.57 0.00 0.00 179.45 179.50 8tim h VAL 113 N 0.69 0.76 -0.75 0.50 2.07 -0.45 0.11 116.25 119.18 8tim h VAL 113 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 8tim h VAL 113 Cb -0.04 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 8tim h VAL 113 CO -0.04 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.01 8tim h ALA 114 N 0.72 1.39 -0.33 1.67 0.00 -1.24 -1.01 119.26 120.46 8tim h ALA 114 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 8tim h ALA 114 Cb 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 8tim h ALA 114 CO -0.06 0.53 0.07 1.25 0.00 0.00 0.00 179.25 181.04 8tim h HIS 115 N 1.03 0.56 -0.07 0.00 6.17 -0.87 0.25 115.15 122.22 8tim h HIS 115 Ca 0.27 -0.07 0.02 0.00 0.71 0.00 0.00 60.37 61.30 8tim h HIS 115 Cb -0.05 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.70 8tim h HIS 115 CO 0.00 0.59 -0.04 0.00 0.71 0.00 0.00 177.93 179.19 8tim h ALA 116 N 0.91 0.02 -0.12 5.26 0.00 -0.38 -1.80 119.26 123.15 8tim h ALA 116 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 8tim h ALA 116 Cb 0.32 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 8tim h ALA 116 CO 0.00 -0.51 0.07 -0.07 0.00 0.00 0.00 179.25 178.74 8tim h LEU 117 N -0.04 0.14 -1.87 0.00 4.07 -1.09 -1.86 115.31 114.66 8tim h LEU 117 Ca 0.04 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.01 8tim h LEU 117 Cb 0.11 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 8tim h LEU 117 CO -0.10 0.14 0.43 0.00 -1.08 0.00 0.00 178.44 177.83 8tim h ALA 118 N 1.00 1.70 -0.01 1.53 0.00 -0.12 0.35 119.26 123.71 8tim h ALA 118 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 8tim h ALA 118 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 8tim h ALA 118 CO -0.01 -0.52 -0.20 0.39 0.00 0.00 0.00 179.25 178.91 8tim n GLU 119 N -3.19 1.55 0.00 0.00 -0.58 -0.71 -5.01 120.64 112.70 8tim n GLU 119 Ca 0.02 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 8tim n GLU 119 Cb 0.53 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 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 1.03 0.58 3.93 0.62 0.00 0.12 -5.00 105.19 106.47 8tim n GLY 120 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 8tim n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 8tim s LEU 121 N 0.00 2.83 -0.04 0.99 1.43 -0.74 -5.00 118.68 118.15 8tim s LEU 121 Ca 0.00 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 8tim s LEU 121 Cb 0.00 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 8tim s LEU 121 CO 0.00 -1.66 0.05 -0.83 0.23 0.00 0.00 176.35 174.13 8tim s GLY 122 N -4.55 1.95 -0.10 -3.19 0.00 0.11 -4.42 107.32 97.12 8tim s GLY 122 Ca 0.61 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 44.53 8tim s GLY 122 CO 0.45 -0.66 -0.23 0.14 0.00 0.00 0.00 173.10 172.80 8tim s VAL 123 N -1.05 2.01 -0.56 1.40 1.01 -0.24 -0.93 120.40 122.04 8tim s VAL 123 Ca 0.18 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 8tim s VAL 123 Cb -0.12 -1.75 0.14 0.00 0.00 0.00 0.00 36.38 34.66 8tim s VAL 123 CO 0.08 0.55 0.40 -0.63 0.00 0.00 0.00 175.10 175.51 8tim s ILE 124 N 0.40 4.07 0.14 2.22 1.01 0.49 -1.41 121.20 128.11 8tim s ILE 124 Ca -0.18 -2.30 -0.22 0.00 0.00 0.00 0.00 60.65 57.96 8tim s ILE 124 Cb -0.18 -3.66 -0.07 0.00 0.01 0.00 0.00 42.46 38.56 8tim s ILE 124 CO 0.08 -0.83 0.68 0.00 0.00 0.00 0.00 174.94 174.87 8tim s ALA 125 N 0.71 3.50 -0.16 9.38 0.00 -0.10 -0.72 121.76 134.37 8tim s ALA 125 Ca 0.11 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 8tim s ALA 125 Cb -0.22 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 8tim s ALA 125 CO -0.03 0.35 -0.02 0.00 0.00 0.00 0.00 175.76 176.05 8tim s ILE 127 N 0.37 0.18 0.00 0.00 -0.00 -0.43 -4.59 121.20 116.73 8tim s ILE 127 Ca -0.03 -1.49 0.00 0.00 -0.00 0.00 0.00 60.65 59.13 8tim s ILE 127 Cb -0.14 -1.19 0.00 0.00 -0.00 0.00 0.00 42.46 41.13 8tim s ILE 127 CO 0.02 -0.83 0.00 0.61 -0.00 0.00 0.00 174.94 174.75 8tim n GLY 128 N 0.45 1.93 3.82 6.27 0.00 -1.25 -0.68 105.19 115.72 8tim n GLY 128 Ca -0.17 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.70 2.93 0.68 1.61 1.03 -1.24 -4.83 118.70 117.18 8tim s GLU 129 Ca 0.00 -1.01 -0.08 0.00 0.03 0.00 0.00 54.97 53.91 8tim s GLU 129 Cb 0.00 -2.59 0.04 0.00 -0.80 0.00 0.00 34.13 30.78 8tim s GLU 129 CO 0.00 0.42 1.02 0.15 -1.33 0.00 0.00 175.26 175.52 8tim s LYS 130 N -3.67 2.56 0.08 -4.83 1.02 -1.26 -0.92 119.74 112.72 8tim s LYS 130 Ca 0.32 0.05 -0.28 0.00 0.02 0.00 0.00 55.97 56.08 8tim s LYS 130 Cb -0.08 -2.14 -0.16 0.00 -0.52 0.00 0.00 37.83 34.93 8tim s LYS 130 CO 0.25 -1.06 1.67 1.25 -0.92 0.00 0.00 175.35 176.53 8tim h LEU 131 N -0.54 -0.49 -0.78 3.17 6.46 -1.84 0.11 115.31 121.39 8tim h LEU 131 Ca -0.45 0.03 0.18 0.00 -0.12 0.00 0.00 57.88 57.51 8tim h LEU 131 Cb 1.28 0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 41.22 8tim h LEU 131 CO 0.62 -0.32 -0.05 -2.24 -0.62 0.00 0.00 178.44 175.83 8tim h ASP 132 N -0.51 -0.46 0.06 1.25 3.04 -1.95 0.79 116.42 118.63 8tim h ASP 132 Ca -0.04 0.21 -0.00 0.00 -3.24 0.00 0.00 57.03 53.96 8tim h ASP 132 Cb 0.42 0.39 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 8tim h ASP 132 CO 0.04 -0.21 -0.03 -0.33 -2.04 0.00 0.00 179.24 176.67 8tim h GLU 133 N 0.07 -0.07 -0.07 4.15 5.08 -1.72 -1.84 114.58 120.16 8tim h GLU 133 Ca 0.42 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.82 8tim h GLU 133 Cb 0.72 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 8tim h GLU 133 CO -0.72 0.21 -0.35 -0.09 -1.00 0.00 0.00 179.01 177.06 8tim h ARG 134 N -0.36 -0.44 -0.14 2.33 2.43 0.27 -1.68 114.38 116.78 8tim h ARG 134 Ca -0.01 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 8tim h ARG 134 Cb 0.32 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 8tim h ARG 134 CO 0.01 -0.30 -0.51 1.49 -1.51 0.00 0.00 179.97 179.15 8tim h GLU 135 N -0.46 -0.52 0.00 0.20 4.81 0.57 -0.01 114.58 119.18 8tim h GLU 135 Ca 0.08 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 8tim h GLU 135 Cb 0.58 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.08 8tim h GLU 135 CO -0.33 -0.35 0.02 0.00 -0.73 0.00 0.00 179.01 177.62 8tim n ALA 136 N -2.98 1.16 -1.04 2.92 0.00 -0.70 -4.80 120.51 115.07 8tim n ALA 136 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 8tim n ALA 136 Cb 0.35 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 8tim n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 8tim n GLY 137 N -1.22 0.46 0.99 0.00 0.00 -0.02 -4.93 105.19 100.48 8tim n GLY 137 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.73 0.95 0.25 -0.61 -0.00 -0.67 -4.56 119.36 111.98 8tim n ILE 138 Ca -0.01 -0.24 -0.10 0.00 -0.00 0.00 0.00 62.75 62.39 8tim n ILE 138 Cb 0.16 -0.75 -0.05 0.00 -0.00 0.00 0.00 39.64 39.00 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 0.31 0.00 -0.59 1.39 2.02 -1.82 -0.51 112.91 113.71 8tim h THR 139 Ca 0.06 -0.09 0.12 0.00 0.77 0.00 0.00 66.41 67.27 8tim h THR 139 Cb 1.05 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.35 8tim h THR 139 CO 0.12 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.60 8tim h GLU 140 N -0.73 0.05 -0.26 6.66 3.07 -1.96 -0.25 114.58 121.15 8tim h GLU 140 Ca -0.07 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 8tim h GLU 140 Cb 0.49 -0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.33 8tim h GLU 140 CO 0.11 0.03 -0.43 -0.22 -1.40 0.00 0.00 179.01 177.10 8tim h LYS 141 N 0.05 -0.34 0.39 2.33 3.11 -1.87 0.71 116.57 120.95 8tim h LYS 141 Ca 0.29 0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.15 8tim h LYS 141 Cb 0.46 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 8tim h LYS 141 CO -0.56 -0.22 -0.31 0.28 -2.81 0.00 0.00 179.45 175.83 8tim h VAL 142 N -0.35 0.35 0.00 2.00 2.07 0.06 -1.87 116.25 118.51 8tim h VAL 142 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 8tim h VAL 142 Cb 0.48 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 8tim h VAL 142 CO -0.43 0.00 -0.23 -0.37 0.02 0.00 0.00 177.57 176.56 8tim h VAL 143 N -0.70 0.91 -0.13 2.57 -1.51 -0.87 -0.25 116.25 116.27 8tim h VAL 143 Ca -0.03 -0.86 -0.17 0.00 -1.23 0.00 0.00 66.70 64.42 8tim h VAL 143 Cb 0.61 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 8tim h VAL 143 CO -0.02 0.22 -0.62 -0.26 -1.23 0.00 0.00 177.57 175.66 8tim h PHE 144 N 0.00 0.59 0.00 5.19 0.04 0.65 0.19 116.94 123.59 8tim h PHE 144 Ca -0.00 -0.23 -0.12 0.00 2.80 0.00 0.00 57.97 60.41 8tim h PHE 144 Cb 0.48 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 8tim h PHE 144 CO 0.00 0.96 -0.59 0.93 -0.60 0.00 0.00 178.31 179.01 8tim h GLU 145 N 0.34 0.00 -0.19 1.51 5.08 -0.95 -0.03 114.58 120.32 8tim h GLU 145 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 8tim h GLU 145 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 8tim h GLU 145 CO 0.11 0.59 -0.20 1.96 -1.00 0.00 0.00 179.01 180.47 8tim h GLN 146 N 0.00 0.48 -0.18 2.33 4.20 -0.85 -2.38 115.11 118.70 8tim h GLN 146 Ca -0.01 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 8tim h GLN 146 Cb 1.27 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 8tim h GLN 146 CO 0.08 0.83 -0.08 1.15 -0.67 0.00 0.00 178.83 180.13 8tim h THR 147 N 0.15 1.31 -0.53 -0.54 2.02 -0.55 -3.13 112.91 111.64 8tim h THR 147 Ca 0.03 -1.13 0.11 0.00 0.77 0.00 0.00 66.41 66.19 8tim h THR 147 Cb 0.75 1.67 -0.10 0.00 -1.74 0.00 0.00 68.15 68.72 8tim h THR 147 CO 0.05 0.34 -0.13 0.50 0.37 0.00 0.00 175.52 176.65 8tim h LYS 148 N 0.07 0.01 -0.37 6.66 3.11 -1.04 0.25 116.57 125.25 8tim h LYS 148 Ca 0.04 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 8tim h LYS 148 Cb 0.56 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 8tim h LYS 148 CO 0.03 0.00 0.07 0.00 -2.81 0.00 0.00 179.45 176.74 8tim h ALA 149 N 1.53 1.45 0.30 5.00 0.00 -1.42 0.34 119.26 126.45 8tim h ALA 149 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 8tim h ALA 149 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 8tim h ALA 149 CO -0.55 0.40 -0.14 0.82 0.00 0.00 0.00 179.25 179.79 8tim h ILE 150 N 0.53 0.00 -0.82 0.00 2.04 -0.95 -3.30 117.51 115.02 8tim h ILE 150 Ca 0.12 -0.46 0.12 0.00 1.00 0.00 0.00 64.86 65.64 8tim h ILE 150 Cb 0.23 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.18 8tim h ILE 150 CO -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 8tim n ALA 151 N -2.56 -0.19 0.01 1.87 0.00 0.67 0.13 120.51 120.45 8tim n ALA 151 Ca -0.05 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.18 8tim n ALA 151 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.29 8tim n ALA 151 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 8tim n ASP 152 N -5.17 0.00 0.00 0.00 8.00 0.12 -1.45 116.55 118.05 8tim n ASP 152 Ca 0.07 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.55 8tim n ASP 152 Cb 0.30 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 -0.03 0.10 -4.42 -2.24 3.02 0.35 -5.04 115.26 107.00 8tim n ASN 153 Ca 0.00 -1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 53.17 8tim n ASN 153 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.05 3.39 -0.03 2.41 1.01 -0.53 -3.98 120.40 122.63 8tim s VAL 154 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.50 8tim s VAL 154 Cb 0.00 -2.45 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 8tim s VAL 154 CO 0.00 0.51 0.10 0.29 0.00 0.00 0.00 175.10 176.00 8tim n LYS 155 N 3.55 1.13 -3.49 2.72 5.02 -1.26 -4.90 118.16 120.93 8tim n LYS 155 Ca -0.18 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 55.83 8tim n LYS 155 Cb 0.53 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.25 8tim n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 8tim s ASP 156 N -3.08 2.64 0.00 4.39 2.15 -1.26 -5.00 116.67 116.51 8tim s ASP 156 Ca -0.03 -0.98 0.14 0.00 0.43 0.00 0.00 52.55 52.11 8tim s ASP 156 Cb 0.03 0.03 0.83 0.00 -0.30 0.00 0.00 42.92 43.51 8tim s ASP 156 CO 0.26 -0.41 1.25 0.79 -0.17 0.00 0.00 175.17 176.89 8tim n TRP 157 N 5.28 0.00 0.26 -5.34 7.02 -1.26 -3.49 117.44 119.91 8tim n TRP 157 Ca -0.05 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.57 8tim n TRP 157 Cb 0.44 0.00 0.37 0.00 -2.42 0.00 0.00 31.31 29.70 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 -0.45 -0.99 4.64 -1.99 -3.00 113.55 111.75 8tim h SER 158 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 8tim h SER 158 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 8tim h SER 158 CO 0.00 0.00 0.08 0.29 -0.87 0.00 0.00 176.83 176.33 8tim n LYS 159 N -3.03 2.75 -4.44 4.77 5.02 -1.23 -4.94 118.16 117.05 8tim n LYS 159 Ca 0.03 -3.02 -0.23 0.00 -2.02 0.00 0.00 58.31 53.07 8tim n LYS 159 Cb 0.44 -1.95 -0.16 0.00 -0.02 0.00 0.00 35.03 33.34 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 -3.03 0.91 -0.10 -0.18 1.01 -1.14 -1.08 120.40 116.79 8tim s VAL 160 Ca 0.47 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.11 8tim s VAL 160 Cb 0.39 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 8tim s VAL 160 CO 0.07 0.30 -0.17 -0.69 0.00 0.00 0.00 175.10 174.61 8tim s VAL 161 N 0.65 2.68 -0.16 2.92 1.01 -0.50 -4.58 120.40 122.42 8tim s VAL 161 Ca -0.12 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 8tim s VAL 161 Cb -0.14 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 8tim s VAL 161 CO 0.02 0.55 0.24 -0.76 0.00 0.00 0.00 175.10 175.15 8tim s LEU 162 N 0.14 4.26 -0.22 3.92 1.43 -0.86 -0.93 118.68 126.43 8tim s LEU 162 Ca -0.09 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 8tim s LEU 162 Cb -0.15 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.81 8tim s LEU 162 CO 0.06 0.16 -0.13 0.00 0.23 0.00 0.00 176.35 176.66 8tim s ALA 163 N 0.25 2.52 -0.14 4.21 0.00 0.09 0.25 121.76 128.94 8tim s ALA 163 Ca 0.14 -1.37 -0.11 0.00 0.00 0.00 0.00 51.96 50.62 8tim s ALA 163 Cb -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 8tim s ALA 163 CO 0.03 -0.63 0.23 -0.47 0.00 0.00 0.00 175.76 174.92 8tim s TYR 164 N 1.29 3.52 -0.15 0.00 5.04 -1.04 -1.31 117.35 124.70 8tim s TYR 164 Ca 0.01 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 8tim s TYR 164 Cb -0.15 -2.18 0.03 0.00 0.35 0.00 0.00 41.96 40.00 8tim s TYR 164 CO -0.08 0.44 -0.12 -1.21 -1.34 0.00 0.00 175.55 173.23 8tim s GLU 165 N -0.18 2.13 -1.30 4.97 2.02 0.15 0.43 118.70 126.92 8tim s GLU 165 Ca 0.15 -0.56 -0.15 0.00 0.02 0.00 0.00 54.97 54.43 8tim s GLU 165 Cb -0.13 -2.09 0.10 0.00 0.10 0.00 0.00 34.13 32.12 8tim s GLU 165 CO 0.04 -0.28 1.75 -0.35 0.02 0.00 0.00 175.26 176.44 8tim n PRO 166 N 4.78 3.24 -0.27 0.39 -0.04 -1.26 -3.63 135.00 138.21 8tim n PRO 166 Ca -0.16 -3.36 -0.06 0.00 -0.04 0.00 0.00 63.50 59.89 8tim n PRO 166 Cb 0.49 -3.27 0.06 0.00 -0.04 0.00 0.00 33.50 30.74 8tim n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 8tim h VAL 167 N 4.85 1.24 -0.19 0.52 2.07 -1.85 0.58 116.25 123.47 8tim h VAL 167 Ca 0.43 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.33 8tim h VAL 167 Cb 0.81 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 8tim h VAL 167 CO 1.49 0.28 0.42 4.11 0.02 0.00 0.00 177.57 183.89 8tim h TRP 168 N 1.05 0.00 -0.59 1.57 5.08 -1.26 1.18 115.95 122.99 8tim h TRP 168 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.23 8tim h TRP 168 Cb 0.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.27 8tim h TRP 168 CO 0.01 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.17 8tim n ALA 169 N -2.07 3.29 -2.81 0.11 0.00 0.20 -4.51 120.51 114.74 8tim n ALA 169 Ca 0.02 -1.56 -0.35 0.00 0.00 0.00 0.00 53.44 51.55 8tim n ALA 169 Cb 0.53 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 8tim n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 8tim s ILE 170 N -2.08 4.82 -0.01 0.00 -1.09 0.41 -4.61 121.20 118.63 8tim s ILE 170 Ca 0.49 -0.03 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 8tim s ILE 170 Cb 0.33 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 38.07 8tim s ILE 170 CO 0.21 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.03 8tim n GLY 171 N 3.11 -0.01 0.14 6.18 0.00 -1.26 -4.69 105.19 108.66 8tim n GLY 171 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 8tim n GLY 171 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 8tim h THR 172 N 0.00 0.05 0.00 2.61 1.35 -1.82 -3.47 112.91 111.64 8tim h THR 172 Ca -0.00 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 8tim h THR 172 Cb 0.04 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 8tim h THR 172 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 8tim n GLY 173 N 1.17 0.73 3.80 5.82 0.00 -1.26 -5.07 105.19 110.38 8tim n GLY 173 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 8tim n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 8tim s LYS 174 N -0.57 2.96 -0.29 1.61 3.01 -1.26 -5.09 119.74 120.11 8tim s LYS 174 Ca 0.00 -0.67 0.00 0.00 -1.01 0.00 0.00 55.97 54.29 8tim s LYS 174 Cb 0.00 -2.76 0.05 0.00 -1.01 0.00 0.00 37.83 34.11 8tim s LYS 174 CO 0.00 0.56 -0.04 0.99 0.51 0.00 0.00 175.35 177.37 8tim s THR 175 N -1.44 2.68 0.34 2.17 2.01 -1.26 -4.71 115.64 115.43 8tim s THR 175 Ca 0.30 -1.49 -0.27 0.00 0.31 0.00 0.00 61.69 60.54 8tim s THR 175 Cb -0.12 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.74 8tim s THR 175 CO 0.23 -0.09 1.07 0.00 -0.69 0.00 0.00 174.62 175.15 8tim s ALA 176 N 1.19 3.24 0.42 7.40 0.00 -1.26 -5.05 121.76 127.70 8tim s ALA 176 Ca -0.06 0.80 0.06 0.00 0.00 0.00 0.00 51.96 52.76 8tim s ALA 176 Cb -0.20 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.63 8tim s ALA 176 CO -0.03 -0.19 0.58 0.95 0.00 0.00 0.00 175.76 177.08 8tim s THR 177 N -1.41 3.24 0.06 0.00 -4.23 -1.26 -5.01 115.64 107.03 8tim s THR 177 Ca 0.51 -0.92 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 8tim s THR 177 Cb -0.27 -3.11 -0.16 0.00 1.34 0.00 0.00 72.50 70.29 8tim s THR 177 CO 0.34 -0.05 1.61 -0.65 -0.54 0.00 0.00 174.62 175.33 8tim h PRO 178 N 0.60 -0.02 -0.97 3.99 0.11 -1.99 -0.82 132.00 132.90 8tim h PRO 178 Ca -0.42 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.88 8tim h PRO 178 Cb 1.28 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 8tim h PRO 178 CO 0.48 0.12 0.61 1.96 -0.21 0.00 0.00 178.00 180.96 8tim h GLN 179 N -0.15 0.64 -0.32 1.05 7.50 -1.98 0.15 115.11 121.99 8tim h GLN 179 Ca -0.00 -0.04 -0.07 0.00 0.50 0.00 0.00 58.65 59.04 8tim h GLN 179 Cb 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 8tim h GLN 179 CO 0.00 0.42 -0.07 1.96 -1.50 0.00 0.00 178.83 179.65 8tim h GLN 180 N 0.66 0.61 0.29 1.46 4.20 -1.73 -2.22 115.11 118.38 8tim h GLN 180 Ca 0.54 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 59.02 8tim h GLN 180 Cb 0.97 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 8tim h GLN 180 CO -0.30 0.79 -0.33 0.00 -0.67 0.00 0.00 178.83 178.31 8tim h ALA 181 N 0.81 -0.68 -0.56 3.87 0.00 0.55 -2.37 119.26 120.88 8tim h ALA 181 Ca 0.08 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.01 8tim h ALA 181 Cb 0.55 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 8tim h ALA 181 CO 0.03 -0.92 -0.02 0.37 0.00 0.00 0.00 179.25 178.71 8tim h GLN 182 N -0.67 0.10 -0.60 0.00 5.75 -0.75 0.18 115.11 119.13 8tim h GLN 182 Ca -0.01 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.56 8tim h GLN 182 Cb 0.62 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.09 8tim h GLN 182 CO -0.09 0.07 0.28 1.49 -2.65 0.00 0.00 178.83 177.92 8tim h GLU 183 N 0.10 0.49 -0.02 1.69 4.81 -1.31 3.33 114.58 123.68 8tim h GLU 183 Ca 0.29 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 8tim h GLU 183 Cb 0.45 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.72 8tim h GLU 183 CO -0.49 0.33 -0.12 0.28 -0.73 0.00 0.00 179.01 178.28 8tim h VAL 184 N 0.51 1.50 -0.40 0.32 2.07 -0.80 -0.06 116.25 119.39 8tim h VAL 184 Ca 0.28 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 66.23 8tim h VAL 184 Cb 0.27 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.50 8tim h VAL 184 CO -0.23 0.44 0.07 0.45 0.02 0.00 0.00 177.57 178.32 8tim h HIS 185 N -0.48 0.11 -0.33 1.57 3.86 0.14 0.41 115.15 120.43 8tim h HIS 185 Ca -0.01 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 8tim h HIS 185 Cb 0.79 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 8tim h HIS 185 CO 0.15 -0.00 0.22 1.49 0.86 0.00 0.00 177.93 180.65 8tim h GLU 186 N 0.19 0.39 0.00 2.45 4.81 0.62 -1.83 114.58 121.22 8tim h GLU 186 Ca 0.19 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 8tim h GLU 186 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 8tim h GLU 186 CO -0.26 0.26 -0.46 0.87 -0.73 0.00 0.00 179.01 178.68 8tim h LYS 187 N 0.40 0.00 -0.18 1.92 1.57 0.10 -1.59 116.57 118.79 8tim h LYS 187 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 8tim h LYS 187 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 8tim h LYS 187 CO -0.03 0.46 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.03 8tim h LEU 188 N 0.00 0.50 -0.69 2.94 3.38 -0.53 -2.13 115.31 118.77 8tim h LEU 188 Ca -0.00 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 8tim h LEU 188 Cb 0.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 8tim h LEU 188 CO 0.06 0.90 -0.31 -0.09 0.09 0.00 0.00 178.44 179.09 8tim h ARG 189 N 0.11 0.66 -0.49 1.13 2.43 -1.28 -1.17 114.38 115.78 8tim h ARG 189 Ca 0.02 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 8tim h ARG 189 Cb 0.78 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 8tim h ARG 189 CO 0.05 0.89 0.09 0.78 -1.51 0.00 0.00 179.97 180.27 8tim h GLY 190 N 0.99 0.87 0.37 2.80 0.00 -1.21 -1.77 103.07 105.13 8tim h GLY 190 Ca 0.07 -0.57 0.13 0.00 0.00 0.00 0.00 47.33 46.95 8tim h GLY 190 CO 0.07 0.53 0.50 -0.25 0.00 0.00 0.00 176.54 177.40 8tim h TRP 191 N 0.69 0.90 -0.42 5.60 7.01 -0.88 -1.50 115.95 127.34 8tim h TRP 191 Ca 0.15 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.08 8tim h TRP 191 Cb 0.38 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 8tim h TRP 191 CO 0.03 0.30 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.74 8tim h LEU 192 N 0.77 0.80 -0.44 0.65 3.38 -0.39 0.13 115.31 120.21 8tim h LEU 192 Ca 0.46 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 8tim h LEU 192 Cb 0.54 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 8tim h LEU 192 CO -0.30 0.97 -0.52 0.07 0.09 0.00 0.00 178.44 178.74 8tim h LYS 193 N 0.71 0.00 -0.15 1.13 2.10 -0.68 0.94 116.57 120.63 8tim h LYS 193 Ca 0.11 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.59 8tim h LYS 193 Cb 0.67 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.99 8tim h LYS 193 CO 0.05 0.52 -0.61 1.15 -2.00 0.00 0.00 179.45 178.56 8tim h THR 194 N 0.00 1.34 0.00 0.07 2.02 -0.90 -3.33 112.91 112.11 8tim h THR 194 Ca -0.01 -1.90 -0.07 0.00 0.77 0.00 0.00 66.41 65.21 8tim h THR 194 Cb 1.21 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.49 8tim h THR 194 CO 0.07 0.58 -1.53 1.41 0.37 0.00 0.00 175.52 176.42 8tim n HIS 195 N -3.92 0.00 0.00 3.16 8.25 0.42 -4.96 115.22 118.17 8tim n HIS 195 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 8tim n HIS 195 Cb 0.64 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.05 0.00 -3.57 1.59 0.31 0.32 -5.06 118.33 109.87 8tim n VAL 196 Ca -0.07 0.07 -0.12 0.00 -0.01 0.00 0.00 64.34 64.20 8tim n VAL 196 Cb 0.48 -0.87 -0.05 0.00 -0.91 0.00 0.00 33.84 32.49 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 -1.35 -0.44 0.41 4.52 1.04 -0.81 -4.99 113.70 112.08 8tim s SER 197 Ca 0.00 0.52 0.07 0.00 0.48 0.00 0.00 55.95 57.03 8tim s SER 197 Cb 0.00 0.42 0.86 0.00 0.10 0.00 0.00 66.02 67.40 8tim s SER 197 CO 0.00 -0.38 2.05 0.44 0.98 0.00 0.00 173.24 176.33 8tim h ASP 198 N 2.82 0.44 -0.30 7.02 5.19 -1.83 -1.12 116.42 128.65 8tim h ASP 198 Ca -0.21 -0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.15 8tim h ASP 198 Cb 1.16 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 8tim h ASP 198 CO 0.31 0.34 0.04 0.00 -3.12 0.00 0.00 179.24 176.81 8tim h ALA 199 N 1.74 0.39 -0.23 3.45 0.00 -1.94 -0.87 119.26 121.80 8tim h ALA 199 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 8tim h ALA 199 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 8tim h ALA 199 CO -0.03 0.09 -0.02 0.28 0.00 0.00 0.00 179.25 179.57 8tim h VAL 200 N 0.31 1.27 -0.63 0.00 2.07 -1.80 0.12 116.25 117.58 8tim h VAL 200 Ca 0.09 -0.95 0.13 0.00 0.82 0.00 0.00 66.70 66.78 8tim h VAL 200 Cb 0.35 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 8tim h VAL 200 CO 0.01 0.30 0.09 0.00 0.02 0.00 0.00 177.57 177.99 8tim h ALA 201 N 0.78 0.72 -0.54 1.67 0.00 -1.01 -1.50 119.26 119.39 8tim h ALA 201 Ca 0.06 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 8tim h ALA 201 Cb 0.45 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 8tim h ALA 201 CO 0.02 -0.35 0.08 0.37 0.00 0.00 0.00 179.25 179.37 8tim h GLN 202 N 0.21 0.90 0.02 0.00 5.75 -1.03 -3.31 115.11 117.66 8tim h GLN 202 Ca 0.34 -0.25 -0.25 0.00 -0.15 0.00 0.00 58.65 58.34 8tim h GLN 202 Cb 0.54 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 8tim h GLN 202 CO -0.47 0.88 -1.32 0.66 -2.65 0.00 0.00 178.83 175.93 8tim h SER 203 N 0.79 0.08 -3.19 -0.69 4.64 -0.10 -3.46 113.55 111.61 8tim h SER 203 Ca 0.16 -0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 8tim h SER 203 Cb 0.42 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 8tim h SER 203 CO 0.01 1.09 0.56 -0.89 -0.87 0.00 0.00 176.83 176.73 8tim s THR 204 N -2.66 4.02 0.17 2.95 2.01 -0.63 -4.88 115.64 116.62 8tim s THR 204 Ca -0.03 1.45 -0.24 0.00 0.31 0.00 0.00 61.69 63.18 8tim s THR 204 Cb 0.09 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 8tim s THR 204 CO 0.83 0.11 0.76 -0.13 -0.69 0.00 0.00 174.62 175.50 8tim s ARG 205 N 1.05 4.50 -0.20 4.92 3.00 -1.26 -4.97 118.95 125.99 8tim s ARG 205 Ca 0.59 1.09 0.00 0.00 0.00 0.00 0.00 55.73 57.41 8tim s ARG 205 Cb -0.30 -3.19 0.05 0.00 0.00 0.00 0.00 34.95 31.51 8tim s ARG 205 CO 0.29 0.55 -0.06 0.42 0.00 0.00 0.00 175.30 176.49 8tim s ILE 206 N -1.21 1.37 0.13 1.52 1.01 -1.26 -2.02 121.20 120.73 8tim s ILE 206 Ca 0.37 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.13 8tim s ILE 206 Cb -0.22 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 8tim s ILE 206 CO 0.25 0.05 0.13 0.27 0.00 0.00 0.00 174.94 175.64 8tim s ILE 207 N 1.50 4.62 -0.12 2.92 -4.36 0.14 0.07 121.20 125.97 8tim s ILE 207 Ca -0.02 -0.89 -0.20 0.00 -0.26 0.00 0.00 60.65 59.27 8tim s ILE 207 Cb -0.17 -3.30 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 8tim s ILE 207 CO -0.07 -0.01 0.58 -0.47 0.24 0.00 0.00 174.94 175.21 8tim s TYR 208 N -1.60 3.50 -1.60 1.37 5.04 0.99 -2.50 117.35 122.55 8tim s TYR 208 Ca 0.31 1.00 0.17 0.00 -2.44 0.00 0.00 57.07 56.11 8tim s TYR 208 Cb -0.11 -2.68 0.58 0.00 0.35 0.00 0.00 41.96 40.10 8tim s TYR 208 CO 0.24 0.07 1.48 0.41 -1.34 0.00 0.00 175.55 176.40 8tim n GLY 209 N 3.35 2.11 0.00 8.97 0.00 0.17 -1.31 105.19 118.48 8tim n GLY 209 Ca -0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.25 -0.30 3.71 -0.02 0.00 -1.25 -4.62 105.19 103.95 8tim n GLY 210 Ca 0.21 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 8tim n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 8tim s SER 211 N -1.00 6.96 -0.01 1.61 0.15 -1.26 -4.76 113.70 115.40 8tim s SER 211 Ca 0.00 1.16 0.03 0.00 0.70 0.00 0.00 55.95 57.85 8tim s SER 211 Cb 0.00 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.89 8tim s SER 211 CO 0.00 -0.16 -0.11 -0.69 1.20 0.00 0.00 173.24 173.48 8tim s VAL 212 N 1.06 0.86 0.33 4.45 1.01 -1.26 -4.95 120.40 121.90 8tim s VAL 212 Ca 0.37 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.90 8tim s VAL 212 Cb -0.17 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 8tim s VAL 212 CO 0.17 0.24 0.35 0.28 0.00 0.00 0.00 175.10 176.14 8tim s THR 213 N -0.27 0.00 0.29 3.92 -1.32 -1.26 -4.55 115.64 112.45 8tim s THR 213 Ca 0.04 -1.84 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 8tim s THR 213 Cb -0.04 -2.55 0.28 0.00 -1.51 0.00 0.00 72.50 68.67 8tim s THR 213 CO -0.00 0.00 1.90 1.23 -2.21 0.00 0.00 174.62 175.53 8tim h GLY 214 N 2.15 1.39 2.00 6.08 0.00 -1.94 -2.30 103.07 110.46 8tim h GLY 214 Ca -0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 8tim h GLY 214 CO 0.38 0.29 -0.22 -1.33 0.00 0.00 0.00 176.54 175.66 8tim h GLY 215 N 1.05 0.00 0.00 4.60 0.00 -1.98 -3.36 103.07 103.38 8tim h GLY 215 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 8tim h GLY 215 CO -0.16 0.00 -1.05 1.16 0.00 0.00 0.00 176.54 176.48 8tim n ASN 216 N -3.64 3.10 -0.32 0.19 0.23 -1.04 -4.74 115.26 109.03 8tim n ASN 216 Ca -0.01 -0.12 0.16 0.00 -0.53 0.00 0.00 54.58 54.08 8tim n ASN 216 Cb 0.35 1.20 0.33 0.00 -2.08 0.00 0.00 39.78 39.58 8tim n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 8tim h LYS 218 N 0.06 0.47 -0.56 0.00 1.57 -1.84 -2.13 116.57 114.14 8tim h LYS 218 Ca 0.62 -0.59 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 8tim h LYS 218 Cb 1.33 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 8tim h LYS 218 CO -0.82 1.23 0.14 1.49 -0.57 0.00 0.00 179.45 180.92 8tim h GLU 219 N 0.22 0.89 0.25 3.15 4.81 -1.82 -2.10 114.58 119.98 8tim h GLU 219 Ca -0.13 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 8tim h GLU 219 Cb 1.77 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.04 8tim h GLU 219 CO 0.20 0.83 -0.13 -0.07 -0.73 0.00 0.00 179.01 179.10 8tim h LEU 220 N 0.79 -0.31 -2.55 1.64 3.38 -1.44 -1.56 115.31 115.25 8tim h LEU 220 Ca 0.18 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 8tim h LEU 220 Cb 0.33 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 8tim h LEU 220 CO 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 178.44 178.30 8tim h ALA 221 N 0.39 1.33 0.00 1.53 0.00 -1.30 -0.33 119.26 120.88 8tim h ALA 221 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 8tim h ALA 221 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 8tim h ALA 221 CO 0.05 0.02 -0.11 0.45 0.00 0.00 0.00 179.25 179.65 8tim n SER 222 N -3.58 0.69 -4.77 0.00 2.88 -0.64 -4.81 113.62 103.39 8tim n SER 222 Ca -0.03 0.47 -0.41 0.00 -1.33 0.00 0.00 58.87 57.58 8tim n SER 222 Cb 0.10 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.97 8tim n SER 222 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 8tim s GLN 223 N -3.10 4.14 0.47 -1.46 2.00 -0.14 -4.92 119.66 116.66 8tim s GLN 223 Ca 0.10 2.53 0.31 0.00 -2.00 0.00 0.00 55.36 56.30 8tim s GLN 223 Cb 0.13 -2.99 1.23 0.00 0.80 0.00 0.00 33.01 32.18 8tim s GLN 223 CO 0.61 -0.51 1.90 1.25 -0.50 0.00 0.00 175.29 178.04 8tim h HIS 224 N 3.40 0.00 -0.17 1.67 2.76 -1.87 -3.10 115.15 117.83 8tim h HIS 224 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 8tim h HIS 224 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 8tim h HIS 224 CO 0.55 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 176.93 8tim n ASP 225 N -2.88 2.38 -4.58 3.26 8.00 -1.26 -4.91 116.55 116.56 8tim n ASP 225 Ca 0.01 -1.71 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 8tim n ASP 225 Cb 0.30 -0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 8tim n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 8tim s VAL 226 N -0.96 4.78 -0.22 2.53 1.01 -1.17 -4.49 120.40 121.88 8tim s VAL 226 Ca 0.18 0.82 0.16 0.00 0.00 0.00 0.00 61.98 63.13 8tim s VAL 226 Cb 0.10 -4.16 0.66 0.00 0.00 0.00 0.00 36.38 32.98 8tim s VAL 226 CO 0.15 -0.38 1.57 0.47 0.00 0.00 0.00 175.10 176.91 8tim n ASP 227 N 6.29 4.73 0.00 3.32 8.00 0.11 -4.79 116.55 134.21 8tim n ASP 227 Ca 0.02 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.55 8tim n ASP 227 Cb 0.48 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.02 0.88 3.56 0.44 0.00 -1.25 0.20 105.19 109.04 8tim n GLY 228 Ca 0.24 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.04 0.15 -0.30 1.61 0.40 0.15 -0.01 117.98 116.94 8tim s PHE 229 Ca 0.00 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 8tim s PHE 229 Cb 0.00 0.27 0.09 0.00 0.51 0.00 0.00 43.02 43.89 8tim s PHE 229 CO 0.00 -0.95 0.05 -1.17 0.70 0.00 0.00 175.22 173.84 8tim s LEU 230 N -2.95 3.08 -0.11 -0.37 2.96 -0.43 -0.28 118.68 120.59 8tim s LEU 230 Ca 0.16 -1.67 -0.18 0.00 -0.22 0.00 0.00 54.13 52.21 8tim s LEU 230 Cb -0.01 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 8tim s LEU 230 CO 0.03 -0.36 0.48 -0.69 -1.32 0.00 0.00 176.35 174.50 8tim s VAL 231 N 1.35 5.17 0.00 1.68 1.01 0.64 -4.36 120.40 125.88 8tim s VAL 231 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.02 8tim s VAL 231 Cb -0.18 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.38 8tim s VAL 231 CO -0.15 0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.90 8tim n GLY 232 N 3.17 0.84 0.34 4.51 0.00 -1.26 0.24 105.19 113.03 8tim n GLY 232 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 8tim n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 8tim n GLY 233 N 5.00 -1.74 0.00 -0.02 0.00 -1.26 0.06 105.19 107.23 8tim n GLY 233 Ca 0.00 1.00 0.05 0.00 0.00 0.00 0.00 46.02 47.06 8tim n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8tim n ALA 234 N -3.57 1.57 0.20 4.61 0.00 -1.26 -1.31 120.51 120.74 8tim n ALA 234 Ca 0.11 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.62 8tim n ALA 234 Cb 0.39 -1.15 0.13 0.00 0.00 0.00 0.00 19.45 18.82 8tim n ALA 234 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 8tim h SER 235 N 0.00 0.00 0.58 0.00 4.64 -0.63 -2.98 113.55 115.17 8tim h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 8tim h SER 235 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 8tim h SER 235 CO 0.00 0.06 -0.09 0.18 -0.87 0.00 0.00 176.83 176.11 8tim n LEU 236 N -3.06 0.22 -4.65 5.97 4.77 -0.42 -4.88 117.00 114.95 8tim n LEU 236 Ca 0.03 0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.96 8tim n LEU 236 Cb 0.56 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 8tim n LEU 236 CO 0.36 0.04 -0.28 -0.54 -1.33 0.00 0.00 177.39 175.64 8tim s LYS 237 N -2.67 2.09 0.55 3.23 1.02 -1.13 -4.97 119.74 117.87 8tim s LYS 237 Ca 0.24 -1.80 0.36 0.00 0.02 0.00 0.00 55.97 54.79 8tim s LYS 237 Cb 0.20 -1.91 1.72 0.00 -0.52 0.00 0.00 37.83 37.32 8tim s LYS 237 CO 0.50 0.08 2.08 -1.00 -0.92 0.00 0.00 175.35 176.09 8tim h PRO 238 N 1.74 0.00 0.00 -1.68 0.13 -1.90 0.16 132.00 130.45 8tim h PRO 238 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.69 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.51 8tim h GLU 239 N 0.00 0.00 -0.90 0.86 4.11 -1.96 0.53 114.58 117.22 8tim h GLU 239 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 8tim h GLU 239 Cb 0.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 8tim h GLU 239 CO 0.00 0.00 0.58 0.35 0.07 0.00 0.00 179.01 180.01 8tim h PHE 240 N 0.00 1.00 -0.49 2.06 3.57 -0.62 0.77 116.94 123.24 8tim h PHE 240 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 8tim h PHE 240 Cb 0.07 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 8tim h PHE 240 CO 0.00 0.49 0.13 0.28 -2.23 0.00 0.00 178.31 176.99 8tim h VAL 241 N 0.96 1.23 -0.72 1.41 2.07 -0.10 -1.34 116.25 119.76 8tim h VAL 241 Ca 0.40 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.21 8tim h VAL 241 Cb 0.30 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 8tim h VAL 241 CO -0.16 0.29 0.36 0.44 0.02 0.00 0.00 177.57 178.53 8tim h ASP 242 N 0.66 0.48 0.15 0.57 3.32 0.06 -0.74 116.42 120.92 8tim h ASP 242 Ca 0.16 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.19 8tim h ASP 242 Cb 0.30 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 8tim h ASP 242 CO -0.00 0.27 -0.27 0.40 -1.72 0.00 0.00 179.24 177.92 8tim h ILE 243 N 0.62 1.24 -0.11 0.35 2.04 0.66 -2.97 117.51 119.34 8tim h ILE 243 Ca 0.35 -1.14 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 8tim h ILE 243 Cb 0.37 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 8tim h ILE 243 CO -0.27 0.34 -0.63 0.40 0.00 0.00 0.00 178.15 178.00 8tim h ILE 244 N 0.19 1.36 -2.25 -0.67 2.04 -0.03 -3.21 117.51 114.95 8tim h ILE 244 Ca 0.03 -1.97 -0.75 0.00 1.00 0.00 0.00 64.86 63.17 8tim h ILE 244 Cb 0.59 1.96 -0.31 0.00 -0.74 0.00 0.00 36.82 38.32 8tim h ILE 244 CO 0.04 0.60 0.62 -0.46 0.00 0.00 0.00 178.15 178.95 8tim n ASN 245 N -3.89 6.66 0.00 1.72 0.23 -0.73 -4.64 115.26 114.61 8tim n ASN 245 Ca -0.03 -3.69 0.00 0.00 -0.53 0.00 0.00 54.58 50.32 8tim n ASN 245 Cb 0.65 -1.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.33 8tim n ASN 245 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 8tim n ALA 246 N -0.12 0.00 -1.48 -2.53 0.00 -1.20 -4.80 120.51 110.37 8tim n ALA 246 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 8tim n ALA 246 Cb 0.29 0.00 -0.19 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.29 0.09 -0.08 0.00 3.00 -1.26 -5.02 118.16 114.60 8tim n LYS 247 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 8tim n LYS 247 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.59 8tim n LYS 247 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98