#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8s s THR 2 N 0.00 1.04 0.01 12.58 2.01 -1.26 -0.33 115.64 129.69 1a8s s THR 2 Ca 0.00 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1a8s s THR 2 Cb 0.00 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 1a8s s THR 2 CO 0.00 -0.07 -0.04 0.12 -0.69 0.00 0.00 174.62 173.94 1a8s s PHE 3 N -0.95 0.36 -0.16 4.92 5.36 -0.38 -4.99 117.98 122.14 1a8s s PHE 3 Ca -0.00 -0.22 -0.04 0.00 -0.96 0.00 0.00 56.93 55.71 1a8s s PHE 3 Cb -0.08 -0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.34 1a8s s PHE 3 CO 0.01 -0.05 -0.03 0.99 -1.46 0.00 0.00 175.22 174.68 1a8s s THR 4 N -0.55 3.95 0.90 0.12 2.01 -1.26 0.08 115.64 120.88 1a8s s THR 4 Ca -0.04 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.50 1a8s s THR 4 Cb -0.04 -2.73 0.13 0.00 0.01 0.00 0.00 72.50 69.86 1a8s s THR 4 CO -0.00 0.49 1.13 0.42 -0.69 0.00 0.00 174.62 175.96 1a8s s THR 5 N 0.39 2.18 0.50 -0.82 -4.23 -0.27 -4.88 115.64 108.50 1a8s s THR 5 Ca -0.03 0.06 0.18 0.00 -1.18 0.00 0.00 61.69 60.71 1a8s s THR 5 Cb -0.14 -2.78 0.32 0.00 1.34 0.00 0.00 72.50 71.24 1a8s s THR 5 CO 0.03 -0.08 2.06 0.03 -0.54 0.00 0.00 174.62 176.12 1a8s h ARG 6 N -1.47 0.12 -0.14 3.99 3.08 -1.98 -0.17 114.38 117.80 1a8s h ARG 6 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1a8s h ARG 6 Cb 1.32 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1a8s h ARG 6 CO 0.61 0.08 0.00 -0.40 -1.07 0.00 0.00 179.97 179.19 1a8s n ASP 7 N -4.47 1.08 0.00 7.04 5.75 -1.26 -4.92 116.55 119.78 1a8s n ASP 7 Ca 0.04 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1a8s n ASP 7 Cb 0.31 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1a8s n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a8s n GLY 8 N 0.95 0.82 3.72 6.12 0.00 -0.07 -5.04 105.19 111.68 1a8s n GLY 8 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1a8s n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8s s THR 9 N -2.37 3.26 -0.31 2.61 2.01 -1.26 -4.77 115.64 114.81 1a8s s THR 9 Ca 0.00 0.92 -0.14 0.00 0.31 0.00 0.00 61.69 62.77 1a8s s THR 9 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1a8s s THR 9 CO 0.00 0.08 0.33 -1.58 -0.69 0.00 0.00 174.62 172.76 1a8s s GLN 10 N 0.97 3.77 -0.24 4.92 0.74 -1.26 -1.11 119.66 127.45 1a8s s GLN 10 Ca 0.64 -0.26 -0.11 0.00 0.05 0.00 0.00 55.36 55.67 1a8s s GLN 10 Cb -0.37 -3.73 -0.05 0.00 1.10 0.00 0.00 33.01 29.96 1a8s s GLN 10 CO 0.31 -0.39 0.20 0.42 -0.55 0.00 0.00 175.29 175.29 1a8s s ILE 11 N 1.99 5.33 0.09 -2.34 -1.09 0.11 -1.09 121.20 124.20 1a8s s ILE 11 Ca 0.12 0.27 -0.23 0.00 -2.23 0.00 0.00 60.65 58.57 1a8s s ILE 11 Cb -0.16 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1a8s s ILE 11 CO 0.11 0.32 0.69 -0.47 -1.23 0.00 0.00 174.94 174.36 1a8s s TYR 12 N 1.19 3.81 0.04 3.97 5.04 -1.26 -1.25 117.35 128.90 1a8s s TYR 12 Ca 0.09 1.44 -0.12 0.00 -2.44 0.00 0.00 57.07 56.04 1a8s s TYR 12 Cb -0.14 -2.68 0.01 0.00 0.35 0.00 0.00 41.96 39.50 1a8s s TYR 12 CO 0.06 0.46 0.25 1.52 -1.34 0.00 0.00 175.55 176.50 1a8s s TYR 13 N -0.76 -0.03 0.02 4.97 1.13 0.55 0.49 117.35 123.73 1a8s s TYR 13 Ca 0.34 -0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.88 1a8s s TYR 13 Cb -0.21 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 1a8s s TYR 13 CO 0.22 -0.46 0.02 0.15 -2.51 0.00 0.00 175.55 172.97 1a8s s LYS 14 N -2.51 2.79 -0.27 -3.49 1.02 -0.04 -1.08 119.74 116.16 1a8s s LYS 14 Ca -0.05 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.29 1a8s s LYS 14 Cb -0.01 -2.68 0.14 0.00 -0.52 0.00 0.00 37.83 34.76 1a8s s LYS 14 CO -0.03 0.61 0.35 0.34 -0.92 0.00 0.00 175.35 175.69 1a8s s ASP 15 N -1.81 0.85 0.03 2.83 -1.08 -1.26 -1.39 116.67 114.85 1a8s s ASP 15 Ca 0.22 -0.35 0.09 0.00 -0.52 0.00 0.00 52.55 51.99 1a8s s ASP 15 Cb -0.12 0.86 -0.03 0.00 -1.46 0.00 0.00 42.92 42.17 1a8s s ASP 15 CO 0.13 -0.35 -0.25 0.26 0.52 0.00 0.00 175.17 175.49 1a8s s TRP 16 N 2.47 2.18 0.00 -5.34 0.51 -0.15 -4.98 118.94 113.63 1a8s s TRP 16 Ca 0.10 -0.40 0.00 0.00 -2.12 0.00 0.00 56.10 53.68 1a8s s TRP 16 Cb -0.14 -1.32 0.00 0.00 -0.81 0.00 0.00 33.47 31.20 1a8s s TRP 16 CO -0.26 0.09 0.00 0.41 -0.51 0.00 0.00 176.95 176.68 1a8s n GLY 17 N 1.91 -2.21 3.22 0.98 0.00 -1.26 -0.52 105.19 107.30 1a8s n GLY 17 Ca -0.17 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1a8s n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a8s s SER 18 N -3.34 0.08 0.00 1.61 1.04 -1.25 -4.69 113.70 107.15 1a8s s SER 18 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1a8s s SER 18 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1a8s s SER 18 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1a8s n GLY 19 N -0.08 0.55 3.76 7.32 0.00 -1.26 -2.94 105.19 112.54 1a8s n GLY 19 Ca -0.15 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 1a8s n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a8s s GLN 20 N -0.07 4.25 0.09 1.61 0.74 -1.26 -4.00 119.66 121.03 1a8s s GLN 20 Ca 0.00 2.35 -0.30 0.00 0.05 0.00 0.00 55.36 57.46 1a8s s GLN 20 Cb 0.00 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 30.99 1a8s s GLN 20 CO 0.00 -0.40 0.95 -1.25 -0.55 0.00 0.00 175.29 174.04 1a8s s PRO 21 N -0.99 4.66 -0.19 1.67 0.04 -1.26 -1.54 135.00 137.40 1a8s s PRO 21 Ca 0.56 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1a8s s PRO 21 Cb -0.43 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 30.74 1a8s s PRO 21 CO 0.49 0.17 -0.17 0.42 0.04 0.00 0.00 177.00 177.95 1a8s s ILE 22 N 0.17 2.26 -0.14 0.56 -1.09 0.37 -1.20 121.20 122.13 1a8s s ILE 22 Ca 0.47 -0.89 -0.04 0.00 -2.23 0.00 0.00 60.65 57.96 1a8s s ILE 22 Cb -0.23 -1.97 -0.03 0.00 -1.58 0.00 0.00 42.46 38.65 1a8s s ILE 22 CO 0.29 0.51 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.82 1a8s s VAL 23 N 1.31 4.24 -0.06 2.92 1.01 0.11 -0.57 120.40 129.37 1a8s s VAL 23 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1a8s s VAL 23 Cb -0.13 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 1a8s s VAL 23 CO -0.11 0.52 -0.15 -0.36 0.00 0.00 0.00 175.10 175.00 1a8s s PHE 24 N -0.02 2.71 -0.22 5.22 0.40 0.41 -0.34 117.98 126.14 1a8s s PHE 24 Ca 0.03 -0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1a8s s PHE 24 Cb -0.13 -1.66 0.04 0.00 0.51 0.00 0.00 43.02 41.79 1a8s s PHE 24 CO 0.02 0.12 -0.14 0.45 0.70 0.00 0.00 175.22 176.37 1a8s s SER 25 N -0.57 3.73 0.87 1.36 0.15 0.94 -3.79 113.70 116.39 1a8s s SER 25 Ca 0.08 -1.01 -0.12 0.00 0.70 0.00 0.00 55.95 55.60 1a8s s SER 25 Cb -0.11 -1.44 0.11 0.00 -1.71 0.00 0.00 66.02 62.87 1a8s s SER 25 CO 0.01 -0.11 1.15 -1.38 1.20 0.00 0.00 173.24 174.11 1a8s s HIS 26 N 1.24 2.71 0.79 3.44 -3.43 -1.26 -1.44 115.29 117.35 1a8s s HIS 26 Ca -0.02 0.82 -0.08 0.00 -0.80 0.00 0.00 55.06 54.98 1a8s s HIS 26 Cb -0.17 -3.43 0.13 0.00 -1.43 0.00 0.00 32.58 27.68 1a8s s HIS 26 CO -0.09 -2.10 1.11 0.20 -2.00 0.00 0.00 174.74 171.86 1a8s s GLY 27 N -4.26 1.74 0.20 -1.38 0.00 -1.18 -2.34 107.32 100.10 1a8s s GLY 27 Ca 0.63 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.96 1a8s s GLY 27 CO 0.51 -0.70 0.56 0.86 0.00 0.00 0.00 173.10 174.34 1a8s s TRP 28 N -3.42 3.51 -0.68 1.90 -0.00 -1.26 -1.13 118.94 117.86 1a8s s TRP 28 Ca 0.67 0.98 -0.03 0.00 -0.00 0.00 0.00 56.10 57.72 1a8s s TRP 28 Cb -0.07 -2.32 0.24 0.00 -0.00 0.00 0.00 33.47 31.32 1a8s s TRP 28 CO 0.47 0.33 2.32 -0.35 -0.00 0.00 0.00 176.95 179.72 1a8s n PRO 29 N 0.29 2.59 0.00 5.86 -0.04 -1.26 -4.99 135.00 137.45 1a8s n PRO 29 Ca -0.02 -3.01 0.00 0.00 -0.04 0.00 0.00 63.50 60.43 1a8s n PRO 29 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1a8s n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1a8s n LEU 30 N 0.01 0.00 0.00 1.53 4.77 -0.28 -3.48 117.00 119.55 1a8s n LEU 30 Ca 0.52 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1a8s n LEU 30 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1a8s n LEU 30 CO 0.45 0.00 0.04 -0.46 -1.33 0.00 0.00 177.39 176.09 1a8s n ASN 31 N 0.00 -0.19 0.09 -1.43 0.23 -1.26 -4.45 115.26 108.26 1a8s n ASN 31 Ca 0.00 -1.16 0.19 0.00 -0.53 0.00 0.00 54.58 53.08 1a8s n ASN 31 Cb 0.00 0.32 0.75 0.00 -2.08 0.00 0.00 39.78 38.77 1a8s n ASN 31 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a8s h ALA 32 N 1.83 2.16 -0.69 -2.53 0.00 -1.89 -1.78 119.26 116.35 1a8s h ALA 32 Ca -0.03 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1a8s h ALA 32 Cb 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1a8s h ALA 32 CO 0.04 -0.54 0.46 -0.44 0.00 0.00 0.00 179.25 178.77 1a8s h ASP 33 N 0.00 0.49 0.20 0.00 3.32 -1.95 -1.52 116.42 116.96 1a8s h ASP 33 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1a8s h ASP 33 Cb 0.86 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1a8s h ASP 33 CO -0.00 0.29 0.00 0.77 -1.72 0.00 0.00 179.24 178.58 1a8s h SER 34 N 0.54 0.00 -0.03 6.45 4.64 -1.73 -2.01 113.55 121.42 1a8s h SER 34 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1a8s h SER 34 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1a8s h SER 34 CO -0.11 0.00 0.00 0.79 -0.87 0.00 0.00 176.83 176.64 1a8s n TRP 35 N -2.86 0.01 -0.21 4.77 5.03 -0.57 -4.61 117.44 119.00 1a8s n TRP 35 Ca -0.02 -0.00 0.26 0.00 3.03 0.00 0.00 57.50 60.77 1a8s n TRP 35 Cb 0.11 0.00 0.66 0.00 -1.03 0.00 0.00 31.31 31.05 1a8s n TRP 35 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 1a8s h GLU 36 N 3.31 0.12 -0.07 -0.99 4.11 -1.47 -1.69 114.58 117.90 1a8s h GLU 36 Ca 0.00 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.23 1a8s h GLU 36 Cb 0.70 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1a8s h GLU 36 CO 0.00 0.08 -0.77 0.77 0.07 0.00 0.00 179.01 179.16 1a8s h SER 37 N 0.12 0.52 0.36 3.06 0.02 -1.85 -0.37 113.55 115.41 1a8s h SER 37 Ca 0.46 -0.35 -0.18 0.00 -0.84 0.00 0.00 61.79 60.87 1a8s h SER 37 Cb 1.61 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.99 1a8s h SER 37 CO -0.07 1.11 -0.76 1.56 -1.14 0.00 0.00 176.83 177.54 1a8s h GLN 38 N 0.29 0.32 -0.35 3.45 7.50 -1.78 -2.78 115.11 121.77 1a8s h GLN 38 Ca -0.04 -0.28 -0.08 0.00 0.50 0.00 0.00 58.65 58.75 1a8s h GLN 38 Cb 1.36 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.94 1a8s h GLN 38 CO 0.13 0.94 -0.09 0.52 -1.50 0.00 0.00 178.83 178.83 1a8s h MET 39 N 0.21 0.68 -0.57 1.46 2.86 -1.25 -1.42 114.93 116.91 1a8s h MET 39 Ca -0.03 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.25 1a8s h MET 39 Cb 1.33 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 1a8s h MET 39 CO 0.12 0.85 -0.02 0.97 1.06 0.00 0.00 176.91 179.89 1a8s h ILE 40 N 0.47 1.26 0.38 -1.22 2.10 -1.08 -0.41 117.51 119.02 1a8s h ILE 40 Ca 0.09 -1.14 -0.02 0.00 1.08 0.00 0.00 64.86 64.87 1a8s h ILE 40 Cb 0.60 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1a8s h ILE 40 CO 0.04 0.41 -0.18 0.15 -1.08 0.00 0.00 178.15 177.48 1a8s h PHE 41 N 0.91 -0.47 -0.13 2.19 3.57 -1.46 -2.13 116.94 119.40 1a8s h PHE 41 Ca 0.16 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 1a8s h PHE 41 Cb 0.55 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1a8s h PHE 41 CO 0.04 -0.25 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.33 1a8s h LEU 42 N -0.59 0.36 -1.00 0.59 3.38 -1.13 -2.60 115.31 114.33 1a8s h LEU 42 Ca -0.05 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1a8s h LEU 42 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1a8s h LEU 42 CO 0.09 0.78 -0.25 0.00 0.09 0.00 0.00 178.44 179.15 1a8s h ALA 43 N 1.23 1.15 0.00 1.53 0.00 -1.07 -0.95 119.26 121.16 1a8s h ALA 43 Ca 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1a8s h ALA 43 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1a8s h ALA 43 CO 0.08 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1a8s h ALA 44 N 1.36 1.05 -0.31 0.00 0.00 -1.09 -2.18 119.26 118.09 1a8s h ALA 44 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a8s h ALA 44 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a8s h ALA 44 CO 0.05 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.43 1a8s n GLN 45 N -3.25 1.88 0.00 0.00 1.13 -0.40 -4.90 117.38 111.84 1a8s n GLN 45 Ca -0.00 -1.35 0.00 0.00 -1.94 0.00 0.00 57.00 53.70 1a8s n GLN 45 Cb 0.30 -1.35 0.00 0.00 0.11 0.00 0.00 30.24 29.30 1a8s n GLN 45 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a8s n GLY 46 N 1.15 1.26 3.60 1.08 0.00 -0.82 -5.08 105.19 106.39 1a8s n GLY 46 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1a8s n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a8s s TYR 47 N -2.00 2.55 -0.15 1.61 2.02 -0.96 -4.33 117.35 116.09 1a8s s TYR 47 Ca 0.00 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1a8s s TYR 47 Cb 0.00 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1a8s s TYR 47 CO 0.00 0.59 0.36 0.50 -1.57 0.00 0.00 175.55 175.43 1a8s s ARG 48 N -3.65 4.28 -0.13 -0.62 3.52 -0.59 -3.81 118.95 117.96 1a8s s ARG 48 Ca 0.32 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 56.16 1a8s s ARG 48 Cb -0.04 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1a8s s ARG 48 CO 0.19 0.20 -0.19 0.14 -0.81 0.00 0.00 175.30 174.82 1a8s s VAL 49 N 0.57 2.42 -0.08 7.11 -7.23 0.32 -0.47 120.40 123.04 1a8s s VAL 49 Ca 0.20 -0.87 0.04 0.00 -1.81 0.00 0.00 61.98 59.54 1a8s s VAL 49 Cb -0.14 -1.98 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 1a8s s VAL 49 CO 0.06 0.54 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.54 1a8s s ILE 50 N 0.57 1.85 -0.10 -0.62 1.01 0.27 -0.97 121.20 123.20 1a8s s ILE 50 Ca -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 1a8s s ILE 50 Cb -0.16 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.77 1a8s s ILE 50 CO 0.04 0.52 0.19 0.00 0.00 0.00 0.00 174.94 175.68 1a8s s ALA 51 N 0.19 -0.28 0.27 9.38 0.00 -0.49 -0.45 121.76 130.39 1a8s s ALA 51 Ca -0.12 0.67 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1a8s s ALA 51 Cb -0.16 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1a8s s ALA 51 CO 0.06 -0.60 0.32 -3.38 0.00 0.00 0.00 175.76 172.16 1a8s s HIS 52 N 2.33 3.21 -0.18 0.00 -3.43 -1.25 -0.86 115.29 115.12 1a8s s HIS 52 Ca 0.03 -0.12 -0.19 0.00 -0.80 0.00 0.00 55.06 53.98 1a8s s HIS 52 Cb -0.12 -1.63 -0.03 0.00 -1.43 0.00 0.00 32.58 29.36 1a8s s HIS 52 CO -0.07 0.34 0.52 -0.51 -2.00 0.00 0.00 174.74 173.02 1a8s s ASP 53 N -3.98 6.61 0.74 7.38 1.01 0.18 -4.29 116.67 124.31 1a8s s ASP 53 Ca 0.37 0.73 -0.15 0.00 0.71 0.00 0.00 52.55 54.20 1a8s s ASP 53 Cb -0.08 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.57 1a8s s ASP 53 CO 0.28 -0.14 1.04 -1.14 0.21 0.00 0.00 175.17 175.41 1a8s n ARG 54 N 4.52 0.48 -1.67 8.23 0.63 -1.26 -4.43 116.66 123.16 1a8s n ARG 54 Ca -0.05 0.23 -0.44 0.00 -0.92 0.00 0.00 57.85 56.67 1a8s n ARG 54 Cb 0.51 -2.29 -0.02 0.00 0.45 0.00 0.00 32.46 31.11 1a8s n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1a8s n ARG 55 N -2.15 1.97 -1.00 -0.14 1.85 -1.26 -0.96 116.66 114.97 1a8s n ARG 55 Ca 0.13 0.70 -0.00 0.00 -1.00 0.00 0.00 57.85 57.68 1a8s n ARG 55 Cb 0.50 -2.28 -0.00 0.00 -1.05 0.00 0.00 32.46 29.62 1a8s n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a8s n GLY 56 N 1.45 0.39 3.43 2.89 0.00 -0.39 -4.96 105.19 108.00 1a8s n GLY 56 Ca 0.08 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1a8s n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8s s HIS 57 N -1.77 2.26 0.00 1.61 3.76 -0.13 0.08 115.29 121.10 1a8s s HIS 57 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1a8s s HIS 57 Cb 0.00 -1.07 0.00 0.00 1.11 0.00 0.00 32.58 32.62 1a8s s HIS 57 CO 0.00 0.56 0.00 0.41 -0.85 0.00 0.00 174.74 174.86 1a8s n GLY 58 N -0.03 3.22 0.38 -2.22 0.00 -1.26 -1.70 105.19 103.58 1a8s n GLY 58 Ca -0.10 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1a8s n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8s n ARG 59 N 14.00 1.20 -1.41 1.61 1.74 -1.26 -4.68 116.66 127.86 1a8s n ARG 59 Ca 0.00 -0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 56.01 1a8s n ARG 59 Cb 0.00 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.04 1a8s n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1a8s s SER 60 N -2.33 4.72 1.06 0.55 0.01 -0.69 -4.59 113.70 112.44 1a8s s SER 60 Ca 0.28 1.64 -0.12 0.00 1.31 0.00 0.00 55.95 59.06 1a8s s SER 60 Cb 0.20 -2.41 0.22 0.00 0.21 0.00 0.00 66.02 64.24 1a8s s SER 60 CO 0.46 -1.87 1.07 -0.94 0.41 0.00 0.00 173.24 172.37 1a8s s SER 61 N -3.61 1.98 -0.64 2.44 1.04 -0.25 -4.51 113.70 110.14 1a8s s SER 61 Ca 0.60 1.46 0.05 0.00 0.48 0.00 0.00 55.95 58.55 1a8s s SER 61 Cb -0.16 -2.17 0.20 0.00 0.10 0.00 0.00 66.02 63.99 1a8s s SER 61 CO 0.56 -3.57 0.55 0.00 0.98 0.00 0.00 173.24 171.76 1a8s n GLN 62 N -4.49 1.80 -2.08 4.02 6.02 -1.26 -1.26 117.38 120.13 1a8s n GLN 62 Ca 0.05 -4.34 -0.40 0.00 -0.01 0.00 0.00 57.00 52.30 1a8s n GLN 62 Cb 0.55 -2.16 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 1a8s n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a8s s PRO 63 N -1.58 4.11 0.46 -1.09 0.04 -1.26 -4.90 135.00 130.78 1a8s s PRO 63 Ca 0.30 2.18 0.16 0.00 0.04 0.00 0.00 61.00 63.69 1a8s s PRO 63 Cb 0.03 -2.86 1.09 0.00 0.04 0.00 0.00 34.50 32.79 1a8s s PRO 63 CO -0.13 -0.39 2.02 2.35 0.04 0.00 0.00 177.00 180.89 1a8s h TRP 64 N 2.92 0.00 -1.67 0.56 2.91 -1.99 -3.44 115.95 115.24 1a8s h TRP 64 Ca -0.49 0.00 -0.61 0.00 1.13 0.00 0.00 58.89 58.92 1a8s h TRP 64 Cb 1.24 0.00 -0.12 0.00 -0.51 0.00 0.00 29.16 29.77 1a8s h TRP 64 CO 0.54 0.16 -0.57 -1.12 -1.03 0.00 0.00 178.44 176.42 1a8s s SER 65 N -6.88 4.05 -0.45 2.65 0.01 -1.26 -4.73 113.70 107.08 1a8s s SER 65 Ca -0.04 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1a8s s SER 65 Cb 0.15 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1a8s s SER 65 CO 0.68 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1a8s n GLY 66 N -1.04 0.34 3.18 3.44 0.00 -1.26 -4.95 105.19 104.90 1a8s n GLY 66 Ca -0.04 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1a8s n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a8s n ASN 67 N 1.11 5.39 -3.93 1.61 3.02 -1.26 -4.56 115.26 116.64 1a8s n ASN 67 Ca -0.06 -3.09 -0.09 0.00 -0.03 0.00 0.00 54.58 51.31 1a8s n ASN 67 Cb 0.43 -1.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.08 1a8s n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1a8s s ASP 68 N 1.29 -0.12 0.22 6.41 1.47 -1.26 -4.50 116.67 120.19 1a8s s ASP 68 Ca 0.38 -0.80 -0.02 0.00 1.18 0.00 0.00 52.55 53.29 1a8s s ASP 68 Cb 0.01 0.57 0.21 0.00 -0.34 0.00 0.00 42.92 43.37 1a8s s ASP 68 CO 0.01 -1.10 1.60 0.24 0.68 0.00 0.00 175.17 176.60 1a8s h MET 69 N 2.27 0.63 -0.64 2.11 2.86 -1.90 -0.99 114.93 119.26 1a8s h MET 69 Ca -0.27 -0.30 0.07 0.00 -2.06 0.00 0.00 59.70 57.14 1a8s h MET 69 Cb 1.25 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 1a8s h MET 69 CO 0.37 0.89 0.34 -0.44 1.06 0.00 0.00 176.91 179.12 1a8s h ASP 70 N 0.53 0.47 -0.10 1.22 3.32 -1.96 0.21 116.42 120.11 1a8s h ASP 70 Ca 0.05 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1a8s h ASP 70 Cb 0.86 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1a8s h ASP 70 CO 0.07 0.30 -0.10 0.74 -1.72 0.00 0.00 179.24 178.54 1a8s h THR 71 N 0.61 1.36 -0.59 0.35 2.02 -1.77 -1.53 112.91 113.36 1a8s h THR 71 Ca 0.30 -1.25 0.12 0.00 0.77 0.00 0.00 66.41 66.34 1a8s h THR 71 Cb 0.23 1.97 -0.10 0.00 -1.74 0.00 0.00 68.15 68.52 1a8s h THR 71 CO -0.21 0.36 0.02 1.88 0.37 0.00 0.00 175.52 177.93 1a8s h TYR 72 N -0.17 -0.01 -0.68 3.16 0.05 -0.95 0.60 116.97 118.97 1a8s h TYR 72 Ca 0.02 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1a8s h TYR 72 Cb 0.61 0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 1a8s h TYR 72 CO 0.09 -0.14 0.40 0.00 -1.05 0.00 0.00 178.16 177.46 1a8s h ALA 73 N 1.53 0.87 -0.08 3.88 0.00 -0.90 -1.89 119.26 122.66 1a8s h ALA 73 Ca 0.30 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1a8s h ALA 73 Cb 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1a8s h ALA 73 CO -0.49 0.35 -0.63 -0.44 0.00 0.00 0.00 179.25 178.04 1a8s h ASP 74 N 0.93 0.33 -0.42 0.00 3.32 -0.68 -0.29 116.42 119.60 1a8s h ASP 74 Ca 0.24 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1a8s h ASP 74 Cb -0.01 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1a8s h ASP 74 CO -0.04 0.88 0.07 0.44 -1.72 0.00 0.00 179.24 178.86 1a8s h ASP 75 N 0.21 0.66 -0.60 6.45 3.32 -0.82 -1.32 116.42 124.33 1a8s h ASP 75 Ca -0.01 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1a8s h ASP 75 Cb 1.15 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1a8s h ASP 75 CO 0.10 0.75 0.24 0.25 -1.72 0.00 0.00 179.24 178.86 1a8s h LEU 76 N 0.54 0.85 -0.75 1.55 5.85 -1.14 -1.56 115.31 120.65 1a8s h LEU 76 Ca 0.13 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1a8s h LEU 76 Cb 0.37 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1a8s h LEU 76 CO 0.01 0.77 0.35 0.00 -0.34 0.00 0.00 178.44 179.23 1a8s h ALA 77 N 1.35 0.97 -0.07 1.25 0.00 -0.66 -1.34 119.26 120.77 1a8s h ALA 77 Ca 0.21 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1a8s h ALA 77 Cb 0.20 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a8s h ALA 77 CO -0.02 0.54 -0.45 1.96 0.00 0.00 0.00 179.25 181.28 1a8s h GLN 78 N 1.06 0.16 -0.10 0.00 4.20 -0.59 -0.55 115.11 119.29 1a8s h GLN 78 Ca 0.26 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1a8s h GLN 78 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1a8s h GLN 78 CO -0.03 0.58 -0.03 1.25 -0.67 0.00 0.00 178.83 179.93 1a8s h LEU 79 N 0.13 0.20 -0.28 1.46 5.85 -0.92 0.93 115.31 122.67 1a8s h LEU 79 Ca 0.01 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.36 1a8s h LEU 79 Cb 0.86 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 1a8s h LEU 79 CO 0.07 0.54 0.14 0.40 -0.34 0.00 0.00 178.44 179.25 1a8s h ILE 80 N -0.15 0.99 -0.50 4.05 2.04 -1.13 -0.13 117.51 122.68 1a8s h ILE 80 Ca 0.02 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1a8s h ILE 80 Cb 0.46 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1a8s h ILE 80 CO 0.01 0.05 -0.09 -0.33 0.00 0.00 0.00 178.15 177.79 1a8s h GLU 81 N 0.30 0.92 -0.83 2.37 5.08 -1.04 0.03 114.58 121.41 1a8s h GLU 81 Ca 0.12 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1a8s h GLU 81 Cb 0.03 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1a8s h GLU 81 CO -0.08 0.97 0.47 1.25 -1.00 0.00 0.00 179.01 180.62 1a8s h HIS 82 N 0.83 1.12 -0.00 4.33 2.76 -0.31 -0.93 115.15 122.95 1a8s h HIS 82 Ca 0.14 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1a8s h HIS 82 Cb 0.62 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1a8s h HIS 82 CO 0.04 0.77 -0.11 1.28 -1.30 0.00 0.00 177.93 178.61 1a8s n LEU 83 N -4.41 0.36 -3.78 0.26 4.77 -0.10 -4.93 117.00 109.17 1a8s n LEU 83 Ca 0.08 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 1a8s n LEU 83 Cb 0.08 -0.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1a8s n LEU 83 CO 0.38 0.07 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.79 1a8s n ASP 84 N -1.08 -1.82 -4.78 -1.43 2.03 -0.09 -4.91 116.55 104.47 1a8s n ASP 84 Ca 0.13 -0.84 -0.36 0.00 0.52 0.00 0.00 54.79 54.25 1a8s n ASP 84 Cb 0.28 -3.89 -0.03 0.00 -0.72 0.00 0.00 41.12 36.76 1a8s n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a8s s LEU 85 N -6.84 4.01 0.02 -2.67 1.43 -0.68 -5.04 118.68 108.91 1a8s s LEU 85 Ca 0.14 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.34 1a8s s LEU 85 Cb -0.07 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 41.81 1a8s s LEU 85 CO 0.83 -0.70 -0.07 -0.13 0.23 0.00 0.00 176.35 176.51 1a8s s ARG 86 N -2.78 0.48 -1.45 1.70 3.00 -1.26 -4.81 118.95 113.82 1a8s s ARG 86 Ca 0.62 -0.48 -0.11 0.00 0.00 0.00 0.00 55.73 55.76 1a8s s ARG 86 Cb -0.22 -0.35 0.05 0.00 0.00 0.00 0.00 34.95 34.43 1a8s s ARG 86 CO 0.27 0.08 1.07 -0.25 0.00 0.00 0.00 175.30 176.47 1a8s n ASP 87 N 2.19 -5.60 -4.82 0.23 8.00 -1.13 -4.65 116.55 110.77 1a8s n ASP 87 Ca -0.18 -0.65 -0.33 0.00 0.71 0.00 0.00 54.79 54.34 1a8s n ASP 87 Cb 0.56 -4.44 -0.07 0.00 -0.02 0.00 0.00 41.12 37.16 1a8s n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a8s s ALA 88 N -3.30 3.07 -0.25 2.24 0.00 -0.30 -4.24 121.76 118.98 1a8s s ALA 88 Ca 0.62 0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1a8s s ALA 88 Cb -0.29 -3.11 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1a8s s ALA 88 CO 0.77 0.13 0.04 0.08 0.00 0.00 0.00 175.76 176.78 1a8s s VAL 89 N -2.19 4.01 -0.29 0.00 1.01 -0.35 -0.15 120.40 122.45 1a8s s VAL 89 Ca 0.61 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1a8s s VAL 89 Cb -0.09 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1a8s s VAL 89 CO 0.15 0.33 0.17 -0.76 0.00 0.00 0.00 175.10 174.98 1a8s s LEU 90 N 1.56 3.97 -0.17 3.92 1.43 -0.60 0.08 118.68 128.87 1a8s s LEU 90 Ca 0.06 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1a8s s LEU 90 Cb -0.15 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1a8s s LEU 90 CO 0.02 -0.09 -0.06 -0.36 0.23 0.00 0.00 176.35 176.09 1a8s s PHE 91 N 1.70 2.95 -0.06 0.29 0.08 0.54 -0.25 117.98 123.24 1a8s s PHE 91 Ca 0.06 -0.58 0.05 0.00 0.12 0.00 0.00 56.93 56.59 1a8s s PHE 91 Cb -0.16 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.30 1a8s s PHE 91 CO 0.09 -0.24 -0.23 0.20 -0.10 0.00 0.00 175.22 174.93 1a8s s GLY 92 N 0.73 1.23 -0.20 4.36 0.00 -0.45 -0.04 107.32 112.95 1a8s s GLY 92 Ca -0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.67 1a8s s GLY 92 CO 0.02 -0.52 0.02 -0.12 0.00 0.00 0.00 173.10 172.50 1a8s s PHE 93 N -0.01 3.10 0.00 1.90 5.36 -0.52 -1.33 117.98 126.48 1a8s s PHE 93 Ca -0.07 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1a8s s PHE 93 Cb -0.14 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1a8s s PHE 93 CO 0.05 -0.11 0.00 0.45 -1.46 0.00 0.00 175.22 174.15 1a8s n SER 94 N 4.03 0.00 -0.05 6.13 2.88 -0.48 -0.04 113.62 126.08 1a8s n SER 94 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.53 1a8s n SER 94 Cb 0.52 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.56 1a8s n SER 94 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1a8s h THR 95 N 0.00 0.82 0.00 2.46 2.02 -1.85 -0.34 112.91 116.01 1a8s h THR 95 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1a8s h THR 95 Cb 0.00 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1a8s h THR 95 CO 0.00 0.04 0.00 1.23 0.37 0.00 0.00 175.52 177.16 1a8s h GLY 96 N 0.23 0.00 1.78 2.16 0.00 -0.05 -1.11 103.07 106.07 1a8s h GLY 96 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.50 1a8s h GLY 96 CO -0.05 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.77 1a8s h GLY 97 N 2.33 0.27 0.94 4.60 0.00 -1.11 -0.97 103.07 109.13 1a8s h GLY 97 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1a8s h GLY 97 CO 0.00 0.23 0.02 -1.33 0.00 0.00 0.00 176.54 175.46 1a8s h GLY 98 N 1.17 0.73 0.66 4.60 0.00 -1.18 -1.62 103.07 107.44 1a8s h GLY 98 Ca 0.02 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.86 1a8s h GLY 98 CO 0.06 0.48 -0.09 -2.09 0.00 0.00 0.00 176.54 174.90 1a8s h GLU 99 N 0.51 -0.11 -0.49 4.80 4.81 -0.89 0.28 114.58 123.48 1a8s h GLU 99 Ca 0.11 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1a8s h GLU 99 Cb 0.44 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1a8s h GLU 99 CO 0.02 -0.07 0.25 0.28 -0.73 0.00 0.00 179.01 178.76 1a8s h VAL 100 N -0.11 0.97 -0.56 0.32 2.07 -1.09 -0.16 116.25 117.68 1a8s h VAL 100 Ca 0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1a8s h VAL 100 Cb 0.21 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1a8s h VAL 100 CO -0.15 0.09 0.36 0.00 0.02 0.00 0.00 177.57 177.89 1a8s h ALA 101 N 1.26 0.71 -0.18 1.67 0.00 -0.69 -1.68 119.26 120.36 1a8s h ALA 101 Ca 0.21 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1a8s h ALA 101 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a8s h ALA 101 CO -0.15 0.17 -0.45 -0.09 0.00 0.00 0.00 179.25 178.73 1a8s h ARG 102 N 0.76 0.44 -0.27 0.00 9.65 -0.82 0.42 114.38 124.55 1a8s h ARG 102 Ca 0.20 -0.24 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1a8s h ARG 102 Cb -0.06 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.51 1a8s h ARG 102 CO -0.04 0.81 0.16 -0.92 2.80 0.00 0.00 179.97 182.77 1a8s h TYR 103 N 0.35 0.29 -0.41 2.20 3.20 -0.61 -0.54 116.97 121.46 1a8s h TYR 103 Ca 0.02 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1a8s h TYR 103 Cb 0.94 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1a8s h TYR 103 CO 0.03 0.17 0.08 0.82 -1.64 0.00 0.00 178.16 177.63 1a8s h ILE 104 N 0.32 1.24 -0.48 1.81 2.04 -0.98 0.18 117.51 121.63 1a8s h ILE 104 Ca 0.11 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1a8s h ILE 104 Cb -0.00 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1a8s h ILE 104 CO -0.05 0.29 0.23 1.23 0.00 0.00 0.00 178.15 179.84 1a8s h GLY 105 N 0.52 0.72 1.10 5.37 0.00 -0.74 0.47 103.07 110.51 1a8s h GLY 105 Ca 0.13 -0.33 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 1a8s h GLY 105 CO 0.00 0.31 -1.39 3.21 0.00 0.00 0.00 176.54 178.68 1a8s h ARG 106 N 0.68 0.00 0.00 4.80 3.08 -0.82 -3.41 114.38 118.71 1a8s h ARG 106 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1a8s h ARG 106 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1a8s h ARG 106 CO -0.02 0.37 -0.07 0.72 -1.07 0.00 0.00 179.97 179.90 1a8s n HIS 107 N -2.96 0.00 -1.38 3.04 8.25 0.60 -5.09 115.22 117.69 1a8s n HIS 107 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1a8s n HIS 107 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 1a8s n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a8s n GLY 108 N 0.83 -2.34 0.61 -1.41 0.00 0.16 -4.63 105.19 98.42 1a8s n GLY 108 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 46.02 44.50 1a8s n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a8s n THR 109 N -0.54 2.21 0.08 2.61 -2.24 -1.26 -4.62 114.28 110.52 1a8s n THR 109 Ca 0.00 -2.64 0.14 0.00 -2.27 0.00 0.00 64.05 59.28 1a8s n THR 109 Cb 0.00 -0.26 0.64 0.00 -2.10 0.00 0.00 70.33 68.61 1a8s n THR 109 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a8s h ALA 110 N 0.81 2.22 -0.49 6.98 0.00 -2.00 -1.19 119.26 125.60 1a8s h ALA 110 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a8s h ALA 110 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1a8s h ALA 110 CO 0.12 -0.31 0.00 0.54 0.00 0.00 0.00 179.25 179.60 1a8s n ARG 111 N -4.45 2.54 -4.22 0.00 1.74 -1.26 -4.72 116.66 106.29 1a8s n ARG 111 Ca 0.05 -2.33 -0.34 0.00 -0.77 0.00 0.00 57.85 54.45 1a8s n ARG 111 Cb 0.37 -1.48 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 1a8s n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a8s s VAL 112 N -1.20 3.45 -0.05 1.55 1.01 -0.45 -1.15 120.40 123.55 1a8s s VAL 112 Ca 0.39 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 1a8s s VAL 112 Cb 0.21 -2.53 -0.30 0.00 0.00 0.00 0.00 36.38 33.76 1a8s s VAL 112 CO 0.29 0.46 0.67 0.00 0.00 0.00 0.00 175.10 176.52 1a8s h ALA 113 N 7.46 0.13 -2.83 5.51 0.00 -0.72 -3.45 119.26 125.36 1a8s h ALA 113 Ca -0.35 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 53.41 1a8s h ALA 113 Cb 1.18 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1a8s h ALA 113 CO 0.60 0.95 -0.08 0.15 0.00 0.00 0.00 179.25 180.87 1a8s s LYS 114 N -2.56 1.45 0.09 0.00 1.02 -1.15 -4.26 119.74 114.34 1a8s s LYS 114 Ca -0.16 -1.10 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 1a8s s LYS 114 Cb 0.05 0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 37.81 1a8s s LYS 114 CO 0.84 -0.60 0.06 0.00 -0.92 0.00 0.00 175.35 174.73 1a8s s ALA 115 N -3.96 0.47 -0.12 5.17 0.00 -0.57 -1.56 121.76 121.20 1a8s s ALA 115 Ca 0.16 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1a8s s ALA 115 Cb -0.01 0.56 0.03 0.00 0.00 0.00 0.00 23.12 23.70 1a8s s ALA 115 CO 0.04 -0.46 0.32 0.20 0.00 0.00 0.00 175.76 175.86 1a8s s GLY 116 N -2.96 -0.24 -0.30 0.00 0.00 0.66 -1.14 107.32 103.35 1a8s s GLY 116 Ca 0.13 0.91 0.03 0.00 0.00 0.00 0.00 44.72 45.80 1a8s s GLY 116 CO -0.05 0.80 -0.04 1.08 0.00 0.00 0.00 173.10 174.89 1a8s s LEU 117 N 0.22 4.01 -0.28 0.66 1.43 0.54 -1.35 118.68 123.91 1a8s s LEU 117 Ca -0.00 -1.69 -0.07 0.00 -1.03 0.00 0.00 54.13 51.34 1a8s s LEU 117 Cb -0.03 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1a8s s LEU 117 CO 0.00 -0.27 0.07 -0.63 0.23 0.00 0.00 176.35 175.75 1a8s s ILE 118 N 1.04 4.02 -1.34 -0.59 -1.09 -0.45 -1.23 121.20 121.57 1a8s s ILE 118 Ca -0.01 -0.54 -0.12 0.00 -2.23 0.00 0.00 60.65 57.75 1a8s s ILE 118 Cb -0.20 -3.01 0.10 0.00 -1.58 0.00 0.00 42.46 37.77 1a8s s ILE 118 CO -0.06 0.17 0.54 -1.20 -1.23 0.00 0.00 174.94 173.16 1a8s n SER 119 N 4.88 -3.36 -4.86 3.58 7.64 0.73 -1.39 113.62 120.84 1a8s n SER 119 Ca -0.15 -0.52 -0.32 0.00 1.01 0.00 0.00 58.87 58.88 1a8s n SER 119 Cb 0.49 -2.79 -0.06 0.00 -1.01 0.00 0.00 64.21 60.84 1a8s n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a8s s ALA 120 N -2.97 3.41 0.43 -0.43 0.00 -1.26 -2.98 121.76 117.96 1a8s s ALA 120 Ca 0.48 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.52 1a8s s ALA 120 Cb -0.26 -2.64 1.02 0.00 0.00 0.00 0.00 23.12 21.24 1a8s s ALA 120 CO 0.59 0.37 1.97 -0.39 0.00 0.00 0.00 175.76 178.31 1a8s h VAL 121 N 1.92 1.06 -4.18 0.00 -1.51 -1.77 -3.39 116.25 108.38 1a8s h VAL 121 Ca -0.47 -0.75 -0.54 0.00 -1.23 0.00 0.00 66.70 63.71 1a8s h VAL 121 Cb 1.17 1.41 0.17 0.00 -2.13 0.00 0.00 31.29 31.91 1a8s h VAL 121 CO 0.67 0.21 0.38 -2.84 -1.23 0.00 0.00 177.57 174.76 1a8s s PRO 122 N -4.47 1.94 0.04 5.19 0.02 -1.26 -3.60 135.00 132.86 1a8s s PRO 122 Ca -0.03 1.80 -0.16 0.00 0.02 0.00 0.00 61.00 62.62 1a8s s PRO 122 Cb 0.15 -1.81 -0.33 0.00 0.02 0.00 0.00 34.50 32.53 1a8s s PRO 122 CO 0.68 -1.99 1.03 -1.35 -0.33 0.00 0.00 177.00 175.04 1a8s h PRO 123 N -0.49 0.57 -1.82 5.54 0.11 -1.76 -3.38 132.00 130.78 1a8s h PRO 123 Ca -0.47 -0.89 0.08 0.00 0.11 0.00 0.00 66.00 64.82 1a8s h PRO 123 Cb 1.30 0.32 -0.22 0.00 0.11 0.00 0.00 31.00 32.51 1a8s h PRO 123 CO 0.48 1.42 0.02 -1.17 -0.21 0.00 0.00 178.00 178.54 1a8s s LEU 124 N -7.71 -0.94 0.08 2.35 2.96 -1.24 -0.45 118.68 113.73 1a8s s LEU 124 Ca -0.09 1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1a8s s LEU 124 Cb 0.04 2.19 -0.27 0.00 0.50 0.00 0.00 46.19 48.65 1a8s s LEU 124 CO 0.94 -0.20 1.16 0.24 -1.32 0.00 0.00 176.35 177.17 1a8s h MET 125 N 7.42 0.23 -6.81 1.98 2.86 -1.73 -3.46 114.93 115.42 1a8s h MET 125 Ca -0.22 -0.39 -0.51 0.00 -2.06 0.00 0.00 59.70 56.51 1a8s h MET 125 Cb 1.15 0.15 0.04 0.00 0.06 0.00 0.00 31.60 32.99 1a8s h MET 125 CO 0.13 1.18 0.56 -1.17 1.06 0.00 0.00 176.91 178.67 1a8s s LEU 126 N -7.08 4.49 -0.04 1.22 2.96 -0.78 -0.21 118.68 119.23 1a8s s LEU 126 Ca -0.03 2.43 -0.30 0.00 -0.22 0.00 0.00 54.13 56.01 1a8s s LEU 126 Cb 0.07 -3.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1a8s s LEU 126 CO 0.87 -0.34 1.38 -0.75 -1.32 0.00 0.00 176.35 176.20 1a8s s LYS 127 N -1.33 4.27 0.34 1.98 2.20 0.11 -4.57 119.74 122.73 1a8s s LYS 127 Ca 0.48 1.90 0.05 0.00 -0.36 0.00 0.00 55.97 58.04 1a8s s LYS 127 Cb -0.35 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 1a8s s LYS 127 CO 0.45 -0.62 0.34 0.25 -0.36 0.00 0.00 175.35 175.41 1a8s n THR 128 N 4.88 0.00 0.05 3.43 -2.24 -0.78 -4.78 114.28 114.85 1a8s n THR 128 Ca 0.13 -2.25 -0.03 0.00 -2.27 0.00 0.00 64.05 59.63 1a8s n THR 128 Cb 0.44 1.18 0.21 0.00 -2.10 0.00 0.00 70.33 70.07 1a8s n THR 128 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1a8s h GLU 129 N 0.00 0.37 0.00 -0.78 4.81 -1.98 -2.36 114.58 114.64 1a8s h GLU 129 Ca -0.24 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1a8s h GLU 129 Cb 1.20 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 1a8s h GLU 129 CO 0.35 0.66 -0.33 0.00 -0.73 0.00 0.00 179.01 178.96 1a8s h ALA 130 N 1.34 0.84 -2.19 2.92 0.00 -1.97 -3.35 119.26 116.85 1a8s h ALA 130 Ca 0.04 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 54.31 1a8s h ALA 130 Cb 0.74 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.11 1a8s h ALA 130 CO 0.06 0.07 -0.74 -1.71 0.00 0.00 0.00 179.25 176.93 1a8s n ASN 131 N -3.00 3.32 0.32 0.00 5.15 -0.99 -4.96 115.26 115.10 1a8s n ASN 131 Ca 0.02 -3.41 0.21 0.00 -0.60 0.00 0.00 54.58 50.81 1a8s n ASN 131 Cb 0.56 -0.61 1.08 0.00 -0.53 0.00 0.00 39.78 40.28 1a8s n ASN 131 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1a8s h PRO 132 N 3.50 0.00 -0.16 1.20 0.13 -1.58 -1.91 132.00 133.19 1a8s h PRO 132 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1a8s h PRO 132 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1a8s h PRO 132 CO 0.75 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 1a8s n GLY 133 N -0.79 0.05 2.76 1.56 0.00 -1.26 -4.83 105.19 102.67 1a8s n GLY 133 Ca -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 1a8s n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8s n GLY 134 N 1.03 -1.84 3.83 -0.02 0.00 -0.84 -4.78 105.19 102.57 1a8s n GLY 134 Ca 0.14 -1.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 1a8s n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a8s s LEU 135 N 0.00 4.42 0.54 0.99 1.43 0.71 -4.21 118.68 122.57 1a8s s LEU 135 Ca 0.55 1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 54.52 1a8s s LEU 135 Cb -0.03 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 1a8s s LEU 135 CO 0.39 0.21 1.28 -2.84 0.23 0.00 0.00 176.35 175.62 1a8s s PRO 136 N -1.53 3.22 0.49 1.29 0.02 -1.26 0.06 135.00 137.29 1a8s s PRO 136 Ca 0.32 2.04 0.25 0.00 0.02 0.00 0.00 61.00 63.62 1a8s s PRO 136 Cb -0.17 -2.21 1.30 0.00 0.02 0.00 0.00 34.50 33.45 1a8s s PRO 136 CO 0.18 -1.06 1.89 1.98 -0.33 0.00 0.00 177.00 179.66 1a8s h MET 137 N 1.44 0.17 -0.50 5.54 1.85 -1.97 -1.26 114.93 120.20 1a8s h MET 137 Ca -0.50 -0.01 0.11 0.00 -0.61 0.00 0.00 59.70 58.68 1a8s h MET 137 Cb 1.29 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 33.26 1a8s h MET 137 CO 0.57 0.11 0.34 0.93 -0.40 0.00 0.00 176.91 178.46 1a8s h GLU 138 N 0.17 0.20 -0.15 0.39 3.07 -1.99 0.55 114.58 116.82 1a8s h GLU 138 Ca 0.41 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.26 1a8s h GLU 138 Cb 1.36 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 1a8s h GLU 138 CO -0.08 0.13 0.07 0.28 -1.40 0.00 0.00 179.01 178.02 1a8s h VAL 139 N 0.21 1.13 -0.17 3.13 2.07 -1.58 -0.78 116.25 120.26 1a8s h VAL 139 Ca 0.23 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 1a8s h VAL 139 Cb 0.64 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1a8s h VAL 139 CO -0.04 0.12 -0.48 -0.26 0.02 0.00 0.00 177.57 176.93 1a8s h PHE 140 N 0.11 0.53 -0.89 1.57 0.04 -1.26 -2.41 116.94 114.62 1a8s h PHE 140 Ca 0.05 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1a8s h PHE 140 Cb 0.13 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1a8s h PHE 140 CO -0.03 0.83 0.57 -0.44 -0.60 0.00 0.00 178.31 178.64 1a8s h ASP 141 N 0.35 1.04 -0.77 2.17 3.32 -0.81 -0.97 116.42 120.74 1a8s h ASP 141 Ca 0.02 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.08 1a8s h ASP 141 Cb 0.97 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 1a8s h ASP 141 CO 0.08 0.77 0.47 1.23 -1.72 0.00 0.00 179.24 180.08 1a8s h GLY 142 N 1.22 1.14 1.36 2.75 0.00 -0.67 0.14 103.07 109.01 1a8s h GLY 142 Ca 0.32 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1a8s h GLY 142 CO -0.07 0.24 -0.36 -2.22 0.00 0.00 0.00 176.54 174.13 1a8s h ILE 143 N 0.87 1.29 -0.40 2.60 1.08 -0.98 -0.72 117.51 121.24 1a8s h ILE 143 Ca 0.33 -1.52 -0.07 0.00 -0.39 0.00 0.00 64.86 63.21 1a8s h ILE 143 Cb 0.14 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 1a8s h ILE 143 CO -0.16 0.49 -0.04 0.03 -0.69 0.00 0.00 178.15 177.79 1a8s h ARG 144 N 0.59 0.74 -0.66 2.37 3.08 -0.79 -0.85 114.38 118.85 1a8s h ARG 144 Ca 0.06 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1a8s h ARG 144 Cb 0.89 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 1a8s h ARG 144 CO 0.08 0.84 0.37 0.37 -1.07 0.00 0.00 179.97 180.55 1a8s h GLN 145 N 0.56 0.92 -0.16 0.04 4.15 -0.56 0.66 115.11 120.71 1a8s h GLN 145 Ca 0.11 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1a8s h GLN 145 Cb 0.53 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 1a8s h GLN 145 CO 0.03 0.69 -0.43 0.00 -1.93 0.00 0.00 178.83 177.19 1a8s h ALA 146 N 1.18 0.96 -0.34 3.38 0.00 -1.04 -0.77 119.26 122.63 1a8s h ALA 146 Ca 0.23 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1a8s h ALA 146 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1a8s h ALA 146 CO -0.04 0.63 0.17 0.77 0.00 0.00 0.00 179.25 180.78 1a8s h SER 147 N 0.32 0.25 0.23 0.00 0.02 -0.64 0.23 113.55 113.95 1a8s h SER 147 Ca 0.02 0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.83 1a8s h SER 147 Cb 0.90 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1a8s h SER 147 CO 0.07 0.18 -0.62 -0.07 -1.14 0.00 0.00 176.83 175.25 1a8s h LEU 148 N 0.35 0.44 -0.05 5.07 3.38 -0.47 -3.11 115.31 120.92 1a8s h LEU 148 Ca 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1a8s h LEU 148 Cb 0.05 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1a8s h LEU 148 CO -0.10 0.95 -0.11 0.00 0.09 0.00 0.00 178.44 179.27 1a8s h ALA 149 N 1.05 0.08 -0.67 1.53 0.00 -0.92 -3.44 119.26 116.90 1a8s h ALA 149 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1a8s h ALA 149 Cb 1.16 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.77 1a8s h ALA 149 CO 0.11 -0.04 -0.33 0.34 0.00 0.00 0.00 179.25 179.33 1a8s s ASP 150 N -6.01 -0.99 0.29 0.00 -1.08 0.05 -5.03 116.67 103.90 1a8s s ASP 150 Ca -0.15 -0.90 0.05 0.00 -0.52 0.00 0.00 52.55 51.03 1a8s s ASP 150 Cb 0.02 1.28 0.43 0.00 -1.46 0.00 0.00 42.92 43.20 1a8s s ASP 150 CO 0.72 -0.07 1.70 0.08 0.52 0.00 0.00 175.17 178.12 1a8s h ARG 151 N 5.35 0.31 -0.80 4.34 0.11 -1.52 -1.19 114.38 120.98 1a8s h ARG 151 Ca 0.03 -0.14 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1a8s h ARG 151 Cb 1.16 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 32.20 1a8s h ARG 151 CO -0.01 0.65 0.42 1.03 0.10 0.00 0.00 179.97 182.16 1a8s h SER 152 N 0.27 1.01 -0.38 0.08 0.87 -1.90 -0.71 113.55 112.79 1a8s h SER 152 Ca 0.03 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.36 1a8s h SER 152 Cb 0.79 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1a8s h SER 152 CO 0.06 0.83 -0.24 -0.61 -0.53 0.00 0.00 176.83 176.35 1a8s h GLN 153 N 1.11 0.82 -0.38 2.24 5.75 -1.83 -2.37 115.11 120.45 1a8s h GLN 153 Ca 0.28 -0.38 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1a8s h GLN 153 Cb 0.06 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.52 1a8s h GLN 153 CO -0.04 1.02 -0.10 1.25 -2.65 0.00 0.00 178.83 178.31 1a8s h LEU 154 N 0.62 -0.36 -0.29 -2.39 5.85 -0.91 0.23 115.31 118.06 1a8s h LEU 154 Ca 0.08 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1a8s h LEU 154 Cb 0.80 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1a8s h LEU 154 CO 0.07 -0.13 0.18 1.88 -0.34 0.00 0.00 178.44 180.10 1a8s h TYR 155 N -0.00 0.37 -0.99 1.25 0.05 -0.95 0.19 116.97 116.89 1a8s h TYR 155 Ca 0.18 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.03 1a8s h TYR 155 Cb 0.28 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 1a8s h TYR 155 CO -0.35 0.25 0.64 0.87 -1.05 0.00 0.00 178.16 178.52 1a8s h LYS 156 N 0.38 1.13 -0.18 4.88 1.79 -0.96 -1.79 116.57 121.83 1a8s h LYS 156 Ca 0.10 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 1a8s h LYS 156 Cb -0.02 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 30.37 1a8s h LYS 156 CO -0.02 0.75 -0.18 -0.44 -1.08 0.00 0.00 179.45 178.47 1a8s h ASP 157 N 1.17 0.47 -0.03 0.86 3.32 0.18 -0.25 116.42 122.14 1a8s h ASP 157 Ca 0.42 -0.48 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1a8s h ASP 157 Cb 0.15 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1a8s h ASP 157 CO -0.17 0.86 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.02 1a8s h LEU 158 N 0.10 -0.36 -0.96 1.55 3.38 -0.55 -0.21 115.31 118.25 1a8s h LEU 158 Ca 0.03 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1a8s h LEU 158 Cb 0.73 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1a8s h LEU 158 CO 0.05 -0.17 -0.35 0.00 0.09 0.00 0.00 178.44 178.05 1a8s h ALA 159 N 0.79 1.12 0.00 1.53 0.00 -1.26 -0.51 119.26 120.94 1a8s h ALA 159 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1a8s h ALA 159 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1a8s h ALA 159 CO -0.14 0.57 -0.16 0.77 0.00 0.00 0.00 179.25 180.28 1a8s h SER 160 N 0.27 0.00 0.00 0.00 0.02 -0.80 -3.39 113.55 109.65 1a8s h SER 160 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1a8s h SER 160 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1a8s h SER 160 CO 0.06 0.16 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1a8s n GLY 161 N 0.65 0.48 0.19 -3.77 0.00 -0.11 -4.20 105.19 98.43 1a8s n GLY 161 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 1a8s n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a8s h PRO 162 N 0.00 0.37 -0.65 1.61 0.13 -1.74 -2.61 132.00 129.11 1a8s h PRO 162 Ca 0.00 -0.24 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1a8s h PRO 162 Cb 0.00 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.13 1a8s h PRO 162 CO 0.00 0.83 0.29 0.35 -0.23 0.00 0.00 178.00 179.24 1a8s h PHE 163 N 0.28 0.93 -0.15 1.56 3.04 -1.34 -2.88 116.94 118.37 1a8s h PHE 163 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1a8s h PHE 163 Cb 1.08 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.30 1a8s h PHE 163 CO 0.03 0.69 0.00 1.19 -2.02 0.00 0.00 178.31 178.20 1a8s n PHE 164 N -4.33 0.24 -1.29 0.41 3.72 -1.26 -0.91 117.46 114.05 1a8s n PHE 164 Ca 0.06 -0.56 -0.10 0.00 -0.05 0.00 0.00 57.45 56.80 1a8s n PHE 164 Cb 0.15 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1a8s n PHE 164 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a8s n GLY 165 N -0.17 1.13 0.30 1.37 0.00 -1.09 -4.78 105.19 101.95 1a8s n GLY 165 Ca 0.07 -0.44 0.20 0.00 0.00 0.00 0.00 46.02 45.85 1a8s n GLY 165 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a8s h PHE 166 N 0.00 0.00 -0.00 1.61 0.04 -1.76 -1.84 116.94 114.99 1a8s h PHE 166 Ca -0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.57 1a8s h PHE 166 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 1a8s h PHE 166 CO 0.32 0.00 -0.02 0.27 -0.60 0.00 0.00 178.31 178.29 1a8s n ASN 167 N -2.99 0.16 -4.78 2.17 0.23 -1.00 -3.76 115.26 105.29 1a8s n ASN 167 Ca -0.01 -0.71 -0.33 0.00 -0.53 0.00 0.00 54.58 53.00 1a8s n ASN 167 Cb 0.15 -0.10 0.04 0.00 -2.08 0.00 0.00 39.78 37.79 1a8s n ASN 167 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1a8s s GLN 168 N -2.24 2.96 0.17 -3.83 -1.52 -0.69 -4.92 119.66 109.58 1a8s s GLN 168 Ca 0.39 1.29 -0.33 0.00 -1.95 0.00 0.00 55.36 54.77 1a8s s GLN 168 Cb 0.21 -1.98 -0.12 0.00 -0.22 0.00 0.00 33.01 30.90 1a8s s GLN 168 CO 0.41 -1.11 1.70 -2.30 -0.25 0.00 0.00 175.29 173.74 1a8s n PRO 169 N -2.37 2.57 -0.14 2.91 -0.02 -1.26 -1.47 135.00 135.21 1a8s n PRO 169 Ca 0.10 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1a8s n PRO 169 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1a8s n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a8s n GLY 170 N 3.86 1.48 3.96 -1.23 0.00 -1.26 -5.03 105.19 106.97 1a8s n GLY 170 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1a8s n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8s s ALA 171 N -2.72 3.88 -0.06 4.61 0.00 -0.54 -5.12 121.76 121.81 1a8s s ALA 171 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 51.96 50.75 1a8s s ALA 171 Cb 0.00 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.31 1a8s s ALA 171 CO 0.00 0.22 0.23 -1.59 0.00 0.00 0.00 175.76 174.61 1a8s s LYS 172 N -3.96 0.37 0.76 0.00 -2.85 -1.25 -4.79 119.74 108.03 1a8s s LYS 172 Ca 0.36 0.11 -0.12 0.00 -1.00 0.00 0.00 55.97 55.32 1a8s s LYS 172 Cb -0.09 0.17 0.05 0.00 -2.06 0.00 0.00 37.83 35.90 1a8s s LYS 172 CO 0.30 -0.07 1.12 -1.54 0.10 0.00 0.00 175.35 175.26 1a8s s SER 173 N -0.37 4.36 -0.05 0.03 1.04 -1.26 -4.91 113.70 112.55 1a8s s SER 173 Ca -0.05 1.99 0.02 0.00 0.48 0.00 0.00 55.95 58.40 1a8s s SER 173 Cb -0.03 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.55 1a8s s SER 173 CO 0.01 -2.14 -0.10 -0.94 0.98 0.00 0.00 173.24 171.05 1a8s s SER 174 N -2.90 1.49 0.35 7.02 1.04 -1.26 -5.06 113.70 114.38 1a8s s SER 174 Ca 0.65 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.90 1a8s s SER 174 Cb -0.20 -0.62 0.66 0.00 0.10 0.00 0.00 66.02 65.96 1a8s s SER 174 CO 0.51 0.03 1.90 0.00 0.98 0.00 0.00 173.24 176.66 1a8s h ALA 175 N 6.83 1.42 -0.33 5.32 0.00 -1.99 -2.28 119.26 128.23 1a8s h ALA 175 Ca -0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1a8s h ALA 175 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1a8s h ALA 175 CO 0.48 0.41 0.18 0.78 0.00 0.00 0.00 179.25 181.09 1a8s h GLY 176 N 0.79 0.50 1.50 0.00 0.00 -1.98 -0.20 103.07 103.68 1a8s h GLY 176 Ca 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 1a8s h GLY 176 CO 0.01 0.22 -0.46 -0.33 0.00 0.00 0.00 176.54 175.98 1a8s h MET 177 N 0.41 0.54 0.03 4.80 2.07 -1.94 -2.02 114.93 118.83 1a8s h MET 177 Ca 0.12 -0.30 -0.00 0.00 -2.07 0.00 0.00 59.70 57.44 1a8s h MET 177 Cb 0.07 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 1a8s h MET 177 CO -0.02 0.89 -0.01 0.28 1.07 0.00 0.00 176.91 179.12 1a8s h VAL 178 N 0.44 1.13 -0.01 -2.22 2.07 -1.30 -2.82 116.25 113.54 1a8s h VAL 178 Ca 0.03 -0.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.91 1a8s h VAL 178 Cb 0.97 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1a8s h VAL 178 CO 0.09 0.13 -0.57 0.44 0.02 0.00 0.00 177.57 177.68 1a8s h ASP 179 N -0.26 0.05 -0.48 0.57 3.32 -1.05 -0.95 116.42 117.63 1a8s h ASP 179 Ca -0.00 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 1a8s h ASP 179 Cb 0.24 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1a8s h ASP 179 CO 0.01 0.61 -0.23 -0.25 -1.72 0.00 0.00 179.24 177.66 1a8s h TRP 180 N 0.04 1.14 -0.21 4.55 7.01 -1.36 0.63 115.95 127.75 1a8s h TRP 180 Ca -0.00 -0.28 0.02 0.00 2.11 0.00 0.00 58.89 60.73 1a8s h TRP 180 Cb 1.02 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.80 1a8s h TRP 180 CO 0.00 1.11 0.09 0.35 -2.79 0.00 0.00 178.44 177.20 1a8s h PHE 181 N 0.85 0.17 -0.45 2.65 3.04 -1.36 -2.30 116.94 119.53 1a8s h PHE 181 Ca 0.11 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1a8s h PHE 181 Cb 0.81 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 1a8s h PHE 181 CO 0.05 0.09 0.28 2.35 -2.02 0.00 0.00 178.31 179.07 1a8s h TRP 182 N 0.20 0.58 -0.53 0.41 7.01 -0.86 -1.93 115.95 120.82 1a8s h TRP 182 Ca 0.09 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1a8s h TRP 182 Cb 0.03 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 1a8s h TRP 182 CO -0.10 0.38 0.34 1.25 -2.79 0.00 0.00 178.44 177.52 1a8s h LEU 183 N 0.60 0.56 -0.46 0.65 5.85 -0.77 -0.32 115.31 121.42 1a8s h LEU 183 Ca 0.16 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1a8s h LEU 183 Cb -0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1a8s h LEU 183 CO -0.03 0.40 0.09 1.56 -0.34 0.00 0.00 178.44 180.12 1a8s h GLN 184 N 0.68 0.75 -0.94 1.25 4.20 -1.18 -2.80 115.11 117.07 1a8s h GLN 184 Ca 0.21 -0.19 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1a8s h GLN 184 Cb -0.03 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.58 1a8s h GLN 184 CO -0.07 0.75 0.58 0.78 -0.67 0.00 0.00 178.83 180.20 1a8s h GLY 185 N 0.62 1.50 2.00 3.46 0.00 -0.72 -1.81 103.07 108.12 1a8s h GLY 185 Ca 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1a8s h GLY 185 CO 0.01 0.17 0.00 -0.33 0.00 0.00 0.00 176.54 176.38 1a8s h MET 186 N 0.94 0.00 0.00 4.80 2.86 -0.82 -2.38 114.93 120.33 1a8s h MET 186 Ca 0.46 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.98 1a8s h MET 186 Cb 0.41 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1a8s h MET 186 CO -0.25 0.00 -0.54 0.00 1.06 0.00 0.00 176.91 177.18 1a8s h ALA 187 N 2.31 0.76 -2.54 6.32 0.00 -1.15 -3.46 119.26 121.50 1a8s h ALA 187 Ca 0.00 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.90 1a8s h ALA 187 Cb 0.50 -0.09 0.13 0.00 0.00 0.00 0.00 17.79 18.33 1a8s h ALA 187 CO 0.00 0.68 0.38 0.00 0.00 0.00 0.00 179.25 180.30 1a8s s ALA 188 N -3.21 2.29 0.42 0.00 0.00 -0.90 -4.10 121.76 116.26 1a8s s ALA 188 Ca 0.02 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 1a8s s ALA 188 Cb 0.10 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1a8s s ALA 188 CO 0.74 -1.57 1.12 0.20 0.00 0.00 0.00 175.76 176.25 1a8s s GLY 189 N -2.36 2.78 0.08 0.00 0.00 0.11 -4.92 107.32 103.01 1a8s s GLY 189 Ca 0.70 0.85 -0.21 0.00 0.00 0.00 0.00 44.72 46.05 1a8s s GLY 189 CO 0.43 1.31 1.61 0.84 0.00 0.00 0.00 173.10 177.29 1a8s h HIS 190 N 2.37 0.19 -0.27 1.90 2.76 -1.94 0.02 115.15 120.18 1a8s h HIS 190 Ca -0.49 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 57.69 1a8s h HIS 190 Cb 1.23 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1a8s h HIS 190 CO 0.56 0.29 0.13 -0.22 -1.30 0.00 0.00 177.93 177.38 1a8s h LYS 191 N 0.04 0.26 -0.29 5.26 1.63 -1.95 -0.78 116.57 120.75 1a8s h LYS 191 Ca 0.04 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1a8s h LYS 191 Cb 0.18 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1a8s h LYS 191 CO -0.00 0.17 0.17 -0.91 -3.45 0.00 0.00 179.45 175.43 1a8s h ASN 192 N 0.27 0.35 -0.71 4.20 4.21 -1.75 -0.65 115.58 121.50 1a8s h ASN 192 Ca 0.11 -0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.52 1a8s h ASN 192 Cb 0.04 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.12 1a8s h ASN 192 CO -0.08 0.31 0.29 0.00 -1.29 0.00 0.00 177.43 176.66 1a8s h ALA 193 N 1.05 0.93 0.09 -0.83 0.00 -0.95 -1.03 119.26 118.52 1a8s h ALA 193 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a8s h ALA 193 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1a8s h ALA 193 CO -0.02 0.54 -0.04 -0.92 0.00 0.00 0.00 179.25 178.81 1a8s h TYR 194 N 1.02 -0.11 0.00 0.00 3.20 -0.97 -2.91 116.97 117.19 1a8s h TYR 194 Ca 0.24 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1a8s h TYR 194 Cb 0.20 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1a8s h TYR 194 CO 0.01 0.03 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.92 1a8s h ASP 195 N -0.22 0.00 0.72 -2.11 5.19 -0.97 -2.46 116.42 116.57 1a8s h ASP 195 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1a8s h ASP 195 Cb 0.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 1a8s h ASP 195 CO 0.02 0.20 -0.15 0.00 -3.12 0.00 0.00 179.24 176.19 1a8s h ILE 197 N 0.00 0.78 -0.57 0.00 2.04 -1.42 0.13 117.51 118.48 1a8s h ILE 197 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1a8s h ILE 197 Cb 0.55 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1a8s h ILE 197 CO 0.02 0.00 0.31 0.50 0.00 0.00 0.00 178.15 178.98 1a8s h LYS 198 N -0.04 0.79 -0.45 2.37 3.64 -1.70 -1.98 116.57 119.20 1a8s h LYS 198 Ca 0.08 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1a8s h LYS 198 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1a8s h LYS 198 CO -0.18 0.61 0.21 0.00 -2.27 0.00 0.00 179.45 177.81 1a8s h ALA 199 N 1.14 1.52 0.00 5.00 0.00 -1.12 -0.63 119.26 125.16 1a8s h ALA 199 Ca 0.20 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1a8s h ALA 199 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1a8s h ALA 199 CO -0.03 0.39 -0.89 0.27 0.00 0.00 0.00 179.25 178.99 1a8s h PHE 200 N 0.64 0.00 0.00 0.00 -5.15 -0.64 -3.23 116.94 108.55 1a8s h PHE 200 Ca 0.16 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.92 1a8s h PHE 200 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.25 1a8s h PHE 200 CO 0.01 0.63 -1.95 -1.13 -2.00 0.00 0.00 178.31 173.86 1a8s n SER 201 N -3.15 0.05 -0.00 -0.68 3.41 -0.76 -4.57 113.62 107.93 1a8s n SER 201 Ca -0.02 0.02 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 1a8s n SER 201 Cb 0.81 1.87 -0.06 0.00 -0.26 0.00 0.00 64.21 66.57 1a8s n SER 201 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a8s n GLU 202 N -2.30 0.97 -2.20 4.33 1.02 -0.27 -1.87 120.64 120.31 1a8s n GLU 202 Ca -0.05 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.61 1a8s n GLU 202 Cb 0.59 -1.14 -0.03 0.00 -0.02 0.00 0.00 31.44 30.84 1a8s n GLU 202 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1a8s s THR 203 N -2.42 3.40 -0.39 2.62 2.01 -1.22 -4.94 115.64 114.69 1a8s s THR 203 Ca -0.02 1.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.84 1a8s s THR 203 Cb 0.05 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1a8s s THR 203 CO 0.34 0.07 0.28 -0.62 -0.69 0.00 0.00 174.62 173.99 1a8s s ASP 204 N 1.16 6.04 -0.07 3.53 -1.08 -1.26 -4.57 116.67 120.42 1a8s s ASP 204 Ca 0.64 -0.83 0.10 0.00 -0.52 0.00 0.00 52.55 51.94 1a8s s ASP 204 Cb -0.36 -2.13 0.41 0.00 -1.46 0.00 0.00 42.92 39.38 1a8s s ASP 204 CO 0.30 -0.40 1.25 0.49 0.52 0.00 0.00 175.17 177.33 1a8s n PHE 205 N 5.13 0.86 -0.11 -5.34 3.72 0.40 -4.53 117.46 117.58 1a8s n PHE 205 Ca -0.11 -0.34 -0.05 0.00 -0.05 0.00 0.00 57.45 56.89 1a8s n PHE 205 Cb 0.47 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.87 1a8s n PHE 205 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1a8s h THR 206 N 2.33 0.85 -0.23 4.37 2.02 -1.92 0.19 112.91 120.52 1a8s h THR 206 Ca 0.00 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 1a8s h THR 206 Cb 0.94 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1a8s h THR 206 CO 0.14 0.04 -0.38 -0.33 0.37 0.00 0.00 175.52 175.36 1a8s h GLU 207 N 0.24 0.51 -0.49 6.66 4.39 -1.96 -2.33 114.58 121.60 1a8s h GLU 207 Ca 0.18 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1a8s h GLU 207 Cb 0.18 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1a8s h GLU 207 CO -0.21 0.81 0.30 -0.44 -1.16 0.00 0.00 179.01 178.32 1a8s h ASP 208 N 0.43 0.50 -0.05 1.42 3.32 -1.60 -2.90 116.42 117.54 1a8s h ASP 208 Ca 0.04 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1a8s h ASP 208 Cb 0.85 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1a8s h ASP 208 CO 0.07 0.36 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.79 1a8s h LEU 209 N 0.61 0.31 -0.58 1.55 3.38 -0.56 -1.37 115.31 118.64 1a8s h LEU 209 Ca 0.19 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1a8s h LEU 209 Cb -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1a8s h LEU 209 CO -0.07 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.19 1a8s n LYS 210 N -4.27 0.20 0.00 1.13 5.02 -0.92 -2.43 118.16 116.89 1a8s n LYS 210 Ca -0.00 0.39 0.13 0.00 -2.02 0.00 0.00 58.31 56.80 1a8s n LYS 210 Cb 0.26 -1.86 0.33 0.00 -0.02 0.00 0.00 35.03 33.75 1a8s n LYS 210 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a8s n LYS 211 N -2.23 1.07 -2.32 1.97 5.02 -0.53 -4.84 118.16 116.30 1a8s n LYS 211 Ca 0.03 -0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 55.20 1a8s n LYS 211 Cb 0.26 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.76 1a8s n LYS 211 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a8s s ILE 212 N -2.41 3.95 -0.25 -0.18 1.01 -1.02 -4.87 121.20 117.43 1a8s s ILE 212 Ca 0.26 1.04 0.10 0.00 0.00 0.00 0.00 60.65 62.04 1a8s s ILE 212 Cb 0.19 -4.06 0.45 0.00 0.01 0.00 0.00 42.46 39.05 1a8s s ILE 212 CO 0.49 -0.53 1.29 -0.90 0.00 0.00 0.00 174.94 175.30 1a8s n ASP 213 N 8.29 2.47 -4.26 3.58 5.75 -1.26 -4.49 116.55 126.62 1a8s n ASP 213 Ca 0.16 -3.86 -0.16 0.00 -0.01 0.00 0.00 54.79 50.92 1a8s n ASP 213 Cb 0.47 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 1a8s n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1a8s s VAL 214 N -3.48 1.32 0.23 2.12 -7.23 -1.26 -5.11 120.40 107.00 1a8s s VAL 214 Ca 0.42 -1.96 -0.31 0.00 -1.81 0.00 0.00 61.98 58.32 1a8s s VAL 214 Cb 0.39 -1.76 -0.14 0.00 0.56 0.00 0.00 36.38 35.42 1a8s s VAL 214 CO -0.04 -0.60 1.25 -2.65 -0.31 0.00 0.00 175.10 172.75 1a8s n PRO 215 N 0.03 1.65 -4.02 4.82 -0.02 -1.26 -4.76 135.00 131.44 1a8s n PRO 215 Ca -0.12 0.59 -0.18 0.00 -2.02 0.00 0.00 63.50 61.77 1a8s n PRO 215 Cb 0.59 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 1a8s n PRO 215 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1a8s s THR 216 N -0.35 0.30 -0.14 3.45 2.01 -1.26 -1.51 115.64 118.15 1a8s s THR 216 Ca 0.67 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.60 1a8s s THR 216 Cb -0.72 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1a8s s THR 216 CO 0.53 0.17 0.15 -0.22 -0.69 0.00 0.00 174.62 174.57 1a8s s LEU 217 N 0.96 4.34 -0.11 4.42 2.96 -0.29 -0.97 118.68 129.99 1a8s s LEU 217 Ca -0.11 0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1a8s s LEU 217 Cb -0.14 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1a8s s LEU 217 CO -0.01 0.33 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.46 1a8s s VAL 218 N -0.59 1.85 -0.05 1.68 1.01 0.11 -0.34 120.40 124.08 1a8s s VAL 218 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1a8s s VAL 218 Cb -0.12 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1a8s s VAL 218 CO 0.03 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.76 1a8s s VAL 219 N 0.66 1.55 -0.16 2.92 1.01 -0.36 -1.20 120.40 124.81 1a8s s VAL 219 Ca -0.12 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1a8s s VAL 219 Cb -0.16 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1a8s s VAL 219 CO 0.03 0.44 0.54 -2.28 0.00 0.00 0.00 175.10 173.84 1a8s s HIS 220 N 0.04 -0.57 0.19 5.22 2.46 -0.77 -0.19 115.29 121.67 1a8s s HIS 220 Ca -0.05 1.29 -0.19 0.00 0.47 0.00 0.00 55.06 56.59 1a8s s HIS 220 Cb -0.12 0.22 -0.08 0.00 -0.13 0.00 0.00 32.58 32.47 1a8s s HIS 220 CO 0.03 -0.35 0.67 0.20 -2.47 0.00 0.00 174.74 172.82 1a8s s GLY 221 N -0.12 2.60 0.00 1.59 0.00 -1.26 -1.07 107.32 109.06 1a8s s GLY 221 Ca -0.03 0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.87 1a8s s GLY 221 CO 0.03 0.45 1.21 2.09 0.00 0.00 0.00 173.10 176.87 1a8s n ASP 222 N 0.87 1.52 -0.40 1.64 5.68 -0.96 -2.47 116.55 122.43 1a8s n ASP 222 Ca -0.04 -2.00 0.07 0.00 -0.50 0.00 0.00 54.79 52.33 1a8s n ASP 222 Cb 0.51 -0.19 0.18 0.00 -1.14 0.00 0.00 41.12 40.48 1a8s n ASP 222 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a8s n ALA 223 N 0.33 2.94 -2.20 2.12 0.00 -0.65 -4.78 120.51 118.28 1a8s n ALA 223 Ca 0.10 -2.86 -0.43 0.00 0.00 0.00 0.00 53.44 50.25 1a8s n ALA 223 Cb 0.24 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1a8s n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1a8s s ASP 224 N -2.88 6.64 0.02 0.00 -1.08 -1.03 -4.47 116.67 113.88 1a8s s ASP 224 Ca 0.36 1.77 0.23 0.00 -0.52 0.00 0.00 52.55 54.40 1a8s s ASP 224 Cb 0.32 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.45 1a8s s ASP 224 CO 0.00 -1.01 1.18 0.00 0.52 0.00 0.00 175.17 175.86 1a8s n GLN 225 N 7.19 0.12 -0.08 4.34 6.02 -1.26 -3.86 117.38 129.85 1a8s n GLN 225 Ca 0.17 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.94 1a8s n GLN 225 Cb 0.45 -1.54 -0.12 0.00 1.02 0.00 0.00 30.24 30.04 1a8s n GLN 225 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1a8s n VAL 226 N -1.70 1.62 -3.83 5.09 0.31 -1.26 -4.72 118.33 113.83 1a8s n VAL 226 Ca 0.04 -0.47 -0.30 0.00 -0.01 0.00 0.00 64.34 63.60 1a8s n VAL 226 Cb 0.38 -1.73 -0.14 0.00 -0.91 0.00 0.00 33.84 31.44 1a8s n VAL 226 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1a8s s VAL 227 N -2.50 1.95 0.09 2.52 1.01 -1.26 -5.10 120.40 117.11 1a8s s VAL 227 Ca -0.30 -2.87 -0.36 0.00 0.00 0.00 0.00 61.98 58.45 1a8s s VAL 227 Cb 0.08 -2.36 -0.15 0.00 0.00 0.00 0.00 36.38 33.95 1a8s s VAL 227 CO 0.65 -0.84 1.47 -2.65 0.00 0.00 0.00 175.10 173.73 1a8s n PRO 228 N 3.39 1.59 -0.09 2.72 -0.02 -1.25 -4.76 135.00 136.58 1a8s n PRO 228 Ca 0.07 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1a8s n PRO 228 Cb 0.34 -2.28 0.32 0.00 -0.02 0.00 0.00 33.50 31.86 1a8s n PRO 228 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a8s h ILE 229 N 3.61 1.16 -0.45 4.25 2.10 -1.82 -3.04 117.51 123.32 1a8s h ILE 229 Ca -0.47 -0.38 -0.08 0.00 1.08 0.00 0.00 64.86 65.01 1a8s h ILE 229 Cb 1.30 0.43 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 1a8s h ILE 229 CO 0.84 0.17 -0.05 -0.08 -1.08 0.00 0.00 178.15 177.95 1a8s h GLU 230 N 0.73 0.83 -0.18 2.19 4.81 -1.96 -1.59 114.58 119.40 1a8s h GLU 230 Ca 0.19 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1a8s h GLU 230 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1a8s h GLU 230 CO -0.03 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.15 1a8s n ALA 231 N -2.44 2.50 -1.88 2.92 0.00 -1.21 -3.25 120.51 117.15 1a8s n ALA 231 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1a8s n ALA 231 Cb 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1a8s n ALA 231 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a8s n SER 232 N 0.10 0.00 -0.23 0.00 3.41 -0.66 -3.85 113.62 112.40 1a8s n SER 232 Ca 0.12 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.76 1a8s n SER 232 Cb 0.23 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.31 1a8s n SER 232 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1a8s h GLY 233 N 0.00 0.78 0.92 5.00 0.00 -1.66 0.29 103.07 108.41 1a8s h GLY 233 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 1a8s h GLY 233 CO 0.00 -0.23 0.06 -2.22 0.00 0.00 0.00 176.54 174.15 1a8s h ILE 234 N 0.14 1.24 -0.26 2.60 2.04 -1.61 -1.57 117.51 120.09 1a8s h ILE 234 Ca 0.37 -0.85 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 1a8s h ILE 234 Cb 0.62 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1a8s h ILE 234 CO -0.57 0.29 -0.24 0.00 0.00 0.00 0.00 178.15 177.63 1a8s h ALA 235 N 0.91 1.11 -0.10 1.87 0.00 -1.10 -1.05 119.26 120.90 1a8s h ALA 235 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1a8s h ALA 235 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1a8s h ALA 235 CO 0.01 0.55 0.02 0.77 0.00 0.00 0.00 179.25 180.60 1a8s h SER 236 N 0.43 0.17 -0.97 0.00 0.02 -0.44 -1.56 113.55 111.20 1a8s h SER 236 Ca 0.06 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1a8s h SER 236 Cb 0.65 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.10 1a8s h SER 236 CO 0.05 0.38 0.64 0.00 -1.14 0.00 0.00 176.83 176.76 1a8s h ALA 237 N 0.79 1.26 -0.49 3.77 0.00 -1.05 0.33 119.26 123.87 1a8s h ALA 237 Ca 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a8s h ALA 237 Cb 0.29 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1a8s h ALA 237 CO 0.00 0.56 0.24 0.00 0.00 0.00 0.00 179.25 180.05 1a8s h ALA 238 N 1.38 0.63 -0.03 0.00 0.00 -1.02 -3.21 119.26 117.01 1a8s h ALA 238 Ca 0.37 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 1a8s h ALA 238 Cb -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1a8s h ALA 238 CO -0.10 0.19 -0.70 -0.07 0.00 0.00 0.00 179.25 178.56 1a8s h LEU 239 N 0.64 0.20 -9.04 0.00 3.38 -0.85 -3.43 115.31 106.21 1a8s h LEU 239 Ca 0.17 -0.13 -0.58 0.00 0.09 0.00 0.00 57.88 57.42 1a8s h LEU 239 Cb 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1a8s h LEU 239 CO -0.02 0.84 0.69 -0.69 0.09 0.00 0.00 178.44 179.35 1a8s s VAL 240 N -3.52 4.71 0.11 1.22 1.01 0.07 -4.54 120.40 119.47 1a8s s VAL 240 Ca -0.03 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.46 1a8s s VAL 240 Cb 0.11 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1a8s s VAL 240 CO 0.80 -0.19 1.84 -0.54 0.00 0.00 0.00 175.10 177.01 1a8s s LYS 241 N 3.15 4.14 0.00 2.72 1.02 -1.26 -2.04 119.74 127.46 1a8s s LYS 241 Ca 0.41 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.99 1a8s s LYS 241 Cb -0.15 -3.64 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1a8s s LYS 241 CO 0.08 -0.85 0.00 0.41 -0.92 0.00 0.00 175.35 174.07 1a8s n GLY 242 N 4.26 0.56 3.75 -3.33 0.00 -1.26 -4.83 105.19 104.32 1a8s n GLY 242 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1a8s n GLY 242 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a8s s SER 243 N -2.36 4.84 -0.17 1.61 1.04 -0.86 -4.66 113.70 113.13 1a8s s SER 243 Ca 0.00 2.30 -0.05 0.00 0.48 0.00 0.00 55.95 58.68 1a8s s SER 243 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 1a8s s SER 243 CO 0.00 -1.82 0.01 -0.89 0.98 0.00 0.00 173.24 171.51 1a8s s THR 244 N -1.87 4.26 -0.08 2.02 2.01 -0.14 -4.99 115.64 116.84 1a8s s THR 244 Ca 0.74 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1a8s s THR 244 Cb -0.28 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.32 1a8s s THR 244 CO 0.39 0.47 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.38 1a8s s LEU 245 N 0.42 2.43 -0.19 4.42 2.96 -1.26 0.10 118.68 127.55 1a8s s LEU 245 Ca -0.01 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1a8s s LEU 245 Cb -0.13 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.07 1a8s s LEU 245 CO 0.02 0.24 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.61 1a8s s LYS 246 N -0.12 3.16 -0.31 1.98 1.02 -0.34 -4.96 119.74 120.17 1a8s s LYS 246 Ca -0.03 -0.74 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 1a8s s LYS 246 Cb -0.14 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1a8s s LYS 246 CO 0.04 -0.18 0.22 0.42 -0.92 0.00 0.00 175.35 174.93 1a8s s ILE 247 N 1.30 5.30 -0.39 2.17 1.01 -1.26 -1.85 121.20 127.47 1a8s s ILE 247 Ca 0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 60.65 60.42 1a8s s ILE 247 Cb -0.14 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1a8s s ILE 247 CO -0.08 0.12 0.93 -0.31 0.00 0.00 0.00 174.94 175.60 1a8s s TYR 248 N 1.75 3.03 0.11 3.97 1.51 -0.23 -4.92 117.35 122.56 1a8s s TYR 248 Ca 0.07 0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 56.48 1a8s s TYR 248 Cb -0.17 -3.74 -0.09 0.00 -0.11 0.00 0.00 41.96 37.85 1a8s s TYR 248 CO 0.11 -0.90 1.53 0.45 -1.11 0.00 0.00 175.55 175.63 1a8s s SER 249 N 1.99 6.67 0.00 2.29 0.15 -1.26 -2.20 113.70 121.34 1a8s s SER 249 Ca 0.38 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.49 1a8s s SER 249 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1a8s s SER 249 CO 0.21 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.47 1a8s n GLY 250 N 3.75 0.38 3.81 9.45 0.00 -1.26 -4.92 105.19 116.40 1a8s n GLY 250 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1a8s n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8s s ALA 251 N -2.01 3.13 0.71 4.61 0.00 -0.93 -4.57 121.76 122.69 1a8s s ALA 251 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1a8s s ALA 251 Cb 0.00 -3.14 0.12 0.00 0.00 0.00 0.00 23.12 20.10 1a8s s ALA 251 CO 0.00 0.16 0.82 -0.35 0.00 0.00 0.00 175.76 176.40 1a8s n PRO 252 N -0.12 -0.11 -0.16 0.00 -0.04 -1.26 -1.63 135.00 131.67 1a8s n PRO 252 Ca 0.05 -2.07 -0.07 0.00 -0.04 0.00 0.00 63.50 61.36 1a8s n PRO 252 Cb 0.52 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 33.40 1a8s n PRO 252 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1a8s h HIS 253 N -0.71 0.63 -0.57 0.54 -0.00 -1.78 -3.30 115.15 109.97 1a8s h HIS 253 Ca -0.27 0.00 -0.59 0.00 -0.00 0.00 0.00 60.37 59.51 1a8s h HIS 253 Cb 0.96 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 28.09 1a8s h HIS 253 CO 0.00 0.43 2.13 0.41 -0.00 0.00 0.00 177.93 180.89 1a8s n GLY 254 N -1.14 4.40 0.00 5.26 0.00 -0.08 -4.60 105.19 109.03 1a8s n GLY 254 Ca 0.02 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.46 1a8s n GLY 254 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1a8s n LEU 255 N 2.33 0.00 0.29 0.99 -0.00 -1.24 -1.59 117.00 117.78 1a8s n LEU 255 Ca 0.63 0.33 0.15 0.00 -0.00 0.00 0.00 56.01 57.12 1a8s n LEU 255 Cb 0.40 -0.33 0.86 0.00 -0.00 0.00 0.00 43.42 44.35 1a8s n LEU 255 CO 0.60 -0.05 1.06 0.71 -0.00 0.00 0.00 177.39 179.70 1a8s h THR 256 N 0.00 0.43 0.00 1.47 1.35 -1.87 -1.08 112.91 113.21 1a8s h THR 256 Ca 0.00 -0.28 -0.16 0.00 -0.55 0.00 0.00 66.41 65.42 1a8s h THR 256 Cb 0.28 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.87 1a8s h THR 256 CO 0.00 0.06 -1.61 0.47 -0.25 0.00 0.00 175.52 174.18 1a8s n ASP 257 N -3.58 3.10 0.13 5.36 8.00 -0.62 -4.08 116.55 124.85 1a8s n ASP 257 Ca -0.02 -0.05 0.02 0.00 0.71 0.00 0.00 54.79 55.45 1a8s n ASP 257 Cb 0.17 0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.29 1a8s n ASP 257 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1a8s h THR 258 N 0.00 0.84 -0.98 -3.53 1.35 -1.44 -3.29 112.91 105.86 1a8s h THR 258 Ca -0.24 -2.21 -0.45 0.00 -0.55 0.00 0.00 66.41 62.96 1a8s h THR 258 Cb 1.41 2.39 -0.41 0.00 -1.73 0.00 0.00 68.15 69.81 1a8s h THR 258 CO -0.03 0.48 -0.95 1.41 -0.25 0.00 0.00 175.52 176.18 1a8s n HIS 259 N -3.20 2.26 0.22 4.73 8.25 -0.41 -4.95 115.22 122.13 1a8s n HIS 259 Ca 0.01 -2.61 -0.15 0.00 -0.26 0.00 0.00 57.72 54.70 1a8s n HIS 259 Cb 0.74 -0.25 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 1a8s n HIS 259 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1a8s h LYS 260 N 2.59 -0.69 -0.06 -0.41 3.64 -1.63 0.15 116.57 120.17 1a8s h LYS 260 Ca 0.13 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1a8s h LYS 260 Cb 1.21 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1a8s h LYS 260 CO 0.61 -0.46 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.54 1a8s h ASP 261 N -0.71 0.11 -0.08 4.20 3.32 -1.91 -0.13 116.42 121.22 1a8s h ASP 261 Ca -0.02 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1a8s h ASP 261 Cb 0.65 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1a8s h ASP 261 CO -0.06 0.46 0.00 -0.61 -1.72 0.00 0.00 179.24 177.31 1a8s h GLN 262 N 0.09 0.14 -0.41 3.56 4.15 -1.86 -2.07 115.11 118.71 1a8s h GLN 262 Ca 0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1a8s h GLN 262 Cb 0.67 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 1a8s h GLN 262 CO 0.05 0.39 0.25 1.25 -1.93 0.00 0.00 178.83 178.84 1a8s h LEU 263 N -0.13 0.49 -0.28 -2.39 5.85 -0.88 -0.62 115.31 117.35 1a8s h LEU 263 Ca 0.02 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1a8s h LEU 263 Cb 0.33 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1a8s h LEU 263 CO 0.00 0.40 -0.17 0.78 -0.34 0.00 0.00 178.44 179.11 1a8s h ASN 264 N 0.54 -0.57 -0.51 1.25 2.35 -0.89 0.83 115.58 118.58 1a8s h ASN 264 Ca 0.15 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1a8s h ASN 264 Cb -0.00 0.30 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 1a8s h ASN 264 CO -0.03 -0.21 0.28 0.00 -1.65 0.00 0.00 177.43 175.82 1a8s h ALA 265 N 1.04 0.66 -0.90 -0.83 0.00 -1.23 -1.55 119.26 116.46 1a8s h ALA 265 Ca 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1a8s h ALA 265 Cb 0.37 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1a8s h ALA 265 CO -0.37 0.19 0.50 -0.44 0.00 0.00 0.00 179.25 179.13 1a8s h ASP 266 N 0.69 1.11 -0.50 0.00 3.32 -0.54 -0.67 116.42 119.83 1a8s h ASP 266 Ca 0.18 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1a8s h ASP 266 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1a8s h ASP 266 CO -0.03 0.89 0.08 -0.07 -1.72 0.00 0.00 179.24 178.39 1a8s h LEU 267 N 1.25 0.80 -0.42 1.55 3.38 -0.64 -1.68 115.31 119.55 1a8s h LEU 267 Ca 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1a8s h LEU 267 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1a8s h LEU 267 CO -0.05 0.86 0.12 0.25 0.09 0.00 0.00 178.44 179.70 1a8s h LEU 268 N 0.71 0.63 -1.30 1.67 5.85 -1.01 -1.38 115.31 120.47 1a8s h LEU 268 Ca 0.15 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1a8s h LEU 268 Cb 0.40 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1a8s h LEU 268 CO 0.01 0.69 0.28 0.00 -0.34 0.00 0.00 178.44 179.08 1a8s h ALA 269 N 0.97 1.47 -0.32 1.25 0.00 -1.04 -0.88 119.26 120.70 1a8s h ALA 269 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1a8s h ALA 269 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a8s h ALA 269 CO -0.00 0.43 0.05 0.35 0.00 0.00 0.00 179.25 180.08 1a8s h PHE 270 N 0.77 0.57 -0.71 0.00 3.57 -1.05 -2.10 116.94 117.98 1a8s h PHE 270 Ca 0.19 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1a8s h PHE 270 Cb 0.05 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1a8s h PHE 270 CO 0.01 0.62 0.39 0.82 -2.23 0.00 0.00 178.31 177.91 1a8s h ILE 271 N 0.36 1.22 0.00 1.41 2.04 -0.87 -2.18 117.51 119.48 1a8s h ILE 271 Ca 0.10 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1a8s h ILE 271 Cb 0.36 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1a8s h ILE 271 CO 0.01 0.24 0.00 0.29 0.00 0.00 0.00 178.15 178.69 1a8s n LYS 272 N -4.49 0.11 0.00 2.37 5.02 -0.37 -5.11 118.16 115.69 1a8s n LYS 272 Ca 0.06 0.30 0.06 0.00 -2.02 0.00 0.00 58.31 56.72 1a8s n LYS 272 Cb 0.09 -1.69 0.38 0.00 -0.02 0.00 0.00 35.03 33.79 1a8s n LYS 272 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29