#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0f s LYS 2 N 0.00 1.81 -0.23 0.03 1.02 -0.53 -0.97 119.74 120.86 1a0f s LYS 2 Ca 0.00 -0.63 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 1a0f s LYS 2 Cb 0.00 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1a0f s LYS 2 CO 0.00 0.26 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.51 1a0f s LEU 3 N -0.00 3.06 -0.20 3.17 2.96 -0.53 -0.22 118.68 126.92 1a0f s LEU 3 Ca -0.03 -0.36 -0.19 0.00 -0.22 0.00 0.00 54.13 53.33 1a0f s LEU 3 Cb -0.11 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 1a0f s LEU 3 CO 0.02 -0.03 0.54 -0.36 -1.32 0.00 0.00 176.35 175.20 1a0f s PHE 4 N 1.51 3.38 0.27 5.38 0.40 0.62 -1.88 117.98 127.66 1a0f s PHE 4 Ca 0.06 0.80 -0.05 0.00 -0.60 0.00 0.00 56.93 57.14 1a0f s PHE 4 Cb -0.15 -2.69 -0.01 0.00 0.51 0.00 0.00 43.02 40.69 1a0f s PHE 4 CO -0.01 -0.10 0.39 1.52 0.70 0.00 0.00 175.22 177.71 1a0f s TYR 5 N 1.65 0.86 -0.01 0.36 1.13 -0.96 -2.81 117.35 117.56 1a0f s TYR 5 Ca 0.25 -1.12 0.01 0.00 -1.41 0.00 0.00 57.07 54.80 1a0f s TYR 5 Cb -0.15 -0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.58 1a0f s TYR 5 CO 0.10 -0.96 -0.04 0.21 -2.51 0.00 0.00 175.55 172.35 1a0f s LYS 6 N -3.67 0.37 0.14 -3.49 2.36 -1.26 -1.96 119.74 112.23 1a0f s LYS 6 Ca 0.30 -0.14 -0.32 0.00 -2.55 0.00 0.00 55.97 53.26 1a0f s LYS 6 Cb 0.01 -0.37 -0.11 0.00 -1.05 0.00 0.00 37.83 36.31 1a0f s LYS 6 CO 0.15 0.07 1.78 -2.30 1.55 0.00 0.00 175.35 176.60 1a0f n PRO 7 N 3.09 2.70 -0.20 4.03 -0.02 -1.26 -2.26 135.00 141.08 1a0f n PRO 7 Ca -0.14 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1a0f n PRO 7 Cb 0.58 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 1a0f n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a0f n GLY 8 N 4.09 2.16 3.88 -1.23 0.00 -1.26 -5.03 105.19 107.80 1a0f n GLY 8 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1a0f n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0f s ALA 9 N -3.04 2.14 0.37 4.61 0.00 -0.96 -4.91 121.76 119.97 1a0f s ALA 9 Ca 0.00 -0.99 0.29 0.00 0.00 0.00 0.00 51.96 51.26 1a0f s ALA 9 Cb 0.00 -2.85 1.58 0.00 0.00 0.00 0.00 23.12 21.85 1a0f s ALA 9 CO 0.00 -2.36 1.87 0.00 0.00 0.00 0.00 175.76 175.27 1a0f h SER 11 N 0.00 0.00 -0.31 0.00 4.64 -1.84 -2.51 113.55 113.53 1a0f h SER 11 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1a0f h SER 11 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 1a0f h SER 11 CO 0.00 0.00 0.12 0.25 -0.87 0.00 0.00 176.83 176.33 1a0f h LEU 12 N 0.00 0.49 -0.66 5.97 5.85 -1.53 -0.85 115.31 124.58 1a0f h LEU 12 Ca 0.00 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1a0f h LEU 12 Cb 0.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1a0f h LEU 12 CO 0.00 0.47 0.41 0.00 -0.34 0.00 0.00 178.44 178.98 1a0f h ALA 13 N 1.60 0.85 -0.09 1.25 0.00 -1.67 0.18 119.26 121.38 1a0f h ALA 13 Ca 0.13 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1a0f h ALA 13 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a0f h ALA 13 CO -0.01 0.31 -0.60 0.77 0.00 0.00 0.00 179.25 179.72 1a0f h SER 14 N 0.90 0.33 -0.20 0.00 0.02 -1.61 -2.31 113.55 110.69 1a0f h SER 14 Ca 0.24 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1a0f h SER 14 Cb -0.05 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1a0f h SER 14 CO -0.05 0.85 0.02 -0.74 -1.14 0.00 0.00 176.83 175.77 1a0f h HIS 15 N 0.22 0.38 -0.42 3.45 6.17 -0.76 0.45 115.15 124.63 1a0f h HIS 15 Ca -0.00 -0.06 -0.05 0.00 0.71 0.00 0.00 60.37 60.96 1a0f h HIS 15 Cb 1.11 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.92 1a0f h HIS 15 CO 0.03 0.51 0.04 0.82 0.71 0.00 0.00 177.93 180.04 1a0f h ILE 16 N 0.13 1.21 -0.43 6.26 2.04 -0.96 -2.69 117.51 123.07 1a0f h ILE 16 Ca 0.06 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.94 1a0f h ILE 16 Cb 0.35 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1a0f h ILE 16 CO 0.01 0.30 -0.31 0.74 0.00 0.00 0.00 178.15 178.89 1a0f h THR 17 N 0.63 1.27 -0.87 -0.27 2.02 -1.18 -0.72 112.91 113.79 1a0f h THR 17 Ca 0.13 -1.48 0.04 0.00 0.77 0.00 0.00 66.41 65.87 1a0f h THR 17 Cb 0.34 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.96 1a0f h THR 17 CO 0.01 0.50 0.56 -0.07 0.37 0.00 0.00 175.52 176.89 1a0f h LEU 18 N 0.81 0.93 -0.15 2.58 3.38 -0.60 -1.73 115.31 120.53 1a0f h LEU 18 Ca 0.08 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1a0f h LEU 18 Cb 0.89 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1a0f h LEU 18 CO 0.08 0.64 -0.46 0.03 0.09 0.00 0.00 178.44 178.82 1a0f h ARG 19 N 1.09 0.58 0.00 1.13 3.08 -1.36 -1.50 114.38 117.40 1a0f h ARG 19 Ca 0.35 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1a0f h ARG 19 Cb 0.02 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1a0f h ARG 19 CO -0.12 1.04 -0.06 0.93 -1.07 0.00 0.00 179.97 180.69 1a0f h GLU 20 N 0.23 0.00 -0.04 0.04 4.39 -0.94 -1.85 114.58 116.40 1a0f h GLU 20 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1a0f h GLU 20 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1a0f h GLU 20 CO 0.10 0.06 0.00 -1.13 -1.16 0.00 0.00 179.01 176.88 1a0f n SER 21 N -3.51 2.96 -3.00 1.42 3.41 -0.67 -5.00 113.62 109.23 1a0f n SER 21 Ca -0.02 -1.98 -0.14 0.00 -0.26 0.00 0.00 58.87 56.47 1a0f n SER 21 Cb 0.18 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1a0f n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a0f n GLY 22 N 1.35 -0.32 3.86 5.00 0.00 -0.70 -4.97 105.19 109.41 1a0f n GLY 22 Ca 0.14 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 1a0f n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a0f s LYS 23 N -4.97 3.19 -0.14 1.61 -0.14 -0.59 -5.05 119.74 113.66 1a0f s LYS 23 Ca 0.06 -0.57 -0.20 0.00 -1.36 0.00 0.00 55.97 53.90 1a0f s LYS 23 Cb -0.01 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.21 1a0f s LYS 23 CO 0.61 0.58 0.55 -0.51 -0.76 0.00 0.00 175.35 175.82 1a0f s ASP 24 N -2.54 6.72 0.13 2.83 1.11 -1.26 -4.78 116.67 118.88 1a0f s ASP 24 Ca 0.32 0.87 -0.22 0.00 0.18 0.00 0.00 52.55 53.70 1a0f s ASP 24 Cb -0.12 -2.32 0.06 0.00 1.07 0.00 0.00 42.92 41.60 1a0f s ASP 24 CO 0.25 -0.10 0.55 0.72 1.18 0.00 0.00 175.17 177.77 1a0f s PHE 25 N 1.06 -0.46 -0.03 4.23 -0.71 -1.26 -4.27 117.98 116.54 1a0f s PHE 25 Ca 0.28 0.27 0.05 0.00 -1.04 0.00 0.00 56.93 56.49 1a0f s PHE 25 Cb -0.16 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 1a0f s PHE 25 CO 0.12 -0.79 -0.16 0.99 -1.34 0.00 0.00 175.22 174.04 1a0f s THR 26 N -3.56 2.91 -0.17 -4.49 2.01 -0.15 -5.01 115.64 107.19 1a0f s THR 26 Ca 0.00 -0.83 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1a0f s THR 26 Cb -0.00 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1a0f s THR 26 CO -0.11 0.56 0.22 -0.76 -0.69 0.00 0.00 174.62 173.84 1a0f s LEU 27 N -0.81 4.25 -0.22 4.42 1.02 -1.26 -1.45 118.68 124.63 1a0f s LEU 27 Ca 0.12 0.42 0.01 0.00 0.02 0.00 0.00 54.13 54.69 1a0f s LEU 27 Cb -0.11 -2.25 0.05 0.00 0.02 0.00 0.00 46.19 43.91 1a0f s LEU 27 CO 0.01 0.17 -0.06 -0.69 0.02 0.00 0.00 176.35 175.79 1a0f s VAL 28 N 0.22 1.49 0.26 -1.59 1.01 -0.79 -4.96 120.40 116.05 1a0f s VAL 28 Ca 0.13 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 1a0f s VAL 28 Cb -0.12 -1.71 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 1a0f s VAL 28 CO 0.02 -0.02 1.16 -0.55 0.00 0.00 0.00 175.10 175.71 1a0f s SER 29 N 1.43 7.14 -0.05 3.32 0.15 -1.26 -2.28 113.70 122.15 1a0f s SER 29 Ca -0.04 2.33 0.05 0.00 0.70 0.00 0.00 55.95 58.99 1a0f s SER 29 Cb -0.18 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.50 1a0f s SER 29 CO -0.07 -0.27 -0.21 -0.69 1.20 0.00 0.00 173.24 173.21 1a0f s VAL 30 N -0.85 1.70 -0.53 4.45 1.01 -0.83 -3.14 120.40 122.21 1a0f s VAL 30 Ca 0.47 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1a0f s VAL 30 Cb -0.33 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.65 1a0f s VAL 30 CO 0.42 0.48 0.79 -0.62 0.00 0.00 0.00 175.10 176.17 1a0f s ASP 31 N -0.05 6.29 0.00 3.32 -1.08 -0.11 -4.70 116.67 120.33 1a0f s ASP 31 Ca -0.04 -0.60 0.26 0.00 -0.52 0.00 0.00 52.55 51.65 1a0f s ASP 31 Cb -0.12 -2.37 1.34 0.00 -1.46 0.00 0.00 42.92 40.31 1a0f s ASP 31 CO 0.03 -1.06 1.89 0.18 0.52 0.00 0.00 175.17 176.73 1a0f n LEU 32 N 6.84 0.00 -0.09 -1.34 4.77 -1.26 0.54 117.00 126.46 1a0f n LEU 32 Ca -0.02 0.27 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1a0f n LEU 32 Cb 0.47 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 1a0f n LEU 32 CO 0.59 -0.04 -0.14 -0.03 -1.33 0.00 0.00 177.39 176.44 1a0f h MET 33 N 0.00 0.00 0.00 3.23 4.05 -1.97 -3.39 114.93 116.86 1a0f h MET 33 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1a0f h MET 33 Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1a0f h MET 33 CO 0.00 0.96 -1.02 1.63 0.23 0.00 0.00 176.91 178.71 1a0f n LYS 34 N -4.51 0.55 -3.13 0.39 4.76 -1.22 -4.98 118.16 110.02 1a0f n LYS 34 Ca -0.22 0.09 -0.14 0.00 -2.87 0.00 0.00 58.31 55.17 1a0f n LYS 34 Cb 0.58 -1.78 0.06 0.00 -1.84 0.00 0.00 35.03 32.05 1a0f n LYS 34 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1a0f n LYS 35 N -2.54 -5.10 -4.35 1.97 4.01 0.19 -4.89 118.16 107.45 1a0f n LYS 35 Ca 0.00 0.59 -0.18 0.00 -0.51 0.00 0.00 58.31 58.21 1a0f n LYS 35 Cb 0.53 -4.86 -0.10 0.00 -0.51 0.00 0.00 35.03 30.09 1a0f n LYS 35 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1a0f s ARG 36 N -5.41 1.34 0.84 1.97 1.81 -1.06 0.96 118.95 119.40 1a0f s ARG 36 Ca 0.20 -1.61 -0.07 0.00 -1.72 0.00 0.00 55.73 52.52 1a0f s ARG 36 Cb -0.09 -1.07 0.17 0.00 -0.45 0.00 0.00 34.95 33.52 1a0f s ARG 36 CO 0.51 0.15 1.15 -0.51 -0.68 0.00 0.00 175.30 175.92 1a0f s LEU 37 N -3.32 2.86 0.41 2.53 1.43 0.40 -0.94 118.68 122.05 1a0f s LEU 37 Ca 0.23 -0.15 0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1a0f s LEU 37 Cb 0.00 -2.00 1.02 0.00 0.03 0.00 0.00 46.19 45.24 1a0f s LEU 37 CO 0.07 -2.32 1.87 -0.33 0.23 0.00 0.00 176.35 175.87 1a0f h GLU 38 N -1.06 0.45 -1.20 1.70 3.07 -1.88 -2.71 114.58 112.95 1a0f h GLU 38 Ca -0.39 -0.03 -0.39 0.00 -0.50 0.00 0.00 59.36 58.05 1a0f h GLU 38 Cb 1.25 -0.10 -0.19 0.00 -0.84 0.00 0.00 28.75 28.86 1a0f h GLU 38 CO 0.37 0.30 0.50 0.27 -1.40 0.00 0.00 179.01 179.05 1a0f n ASN 39 N -4.52 5.35 0.00 1.42 6.94 -1.26 -4.89 115.26 118.30 1a0f n ASN 39 Ca 0.18 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 1a0f n ASN 39 Cb 0.62 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 1a0f n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a0f n GLY 40 N -0.27 0.13 3.77 4.83 0.00 -1.02 -4.95 105.19 107.69 1a0f n GLY 40 Ca 0.39 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.03 1a0f n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a0f s ASP 41 N -2.12 6.99 0.29 1.61 1.11 -1.26 -4.79 116.67 118.51 1a0f s ASP 41 Ca 0.00 2.10 -0.29 0.00 0.18 0.00 0.00 52.55 54.54 1a0f s ASP 41 Cb 0.00 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.29 1a0f s ASP 41 CO 0.00 -0.33 1.34 -0.62 1.18 0.00 0.00 175.17 176.74 1a0f s ASP 42 N -1.32 6.77 0.08 0.27 2.15 -1.26 -0.45 116.67 122.90 1a0f s ASP 42 Ca 0.52 2.63 0.12 0.00 0.43 0.00 0.00 52.55 56.25 1a0f s ASP 42 Cb -0.25 -2.64 -0.16 0.00 -0.30 0.00 0.00 42.92 39.57 1a0f s ASP 42 CO 0.32 -0.57 1.01 0.22 -0.17 0.00 0.00 175.17 175.98 1a0f h TYR 43 N 4.16 0.00 0.00 -5.34 3.20 0.29 -3.28 116.97 116.00 1a0f h TYR 43 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1a0f h TYR 43 Cb 1.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.49 1a0f h TYR 43 CO 0.58 0.84 0.00 1.19 -1.64 0.00 0.00 178.16 179.13 1a0f n PHE 44 N -3.14 0.00 0.09 -3.82 3.72 -1.26 -0.60 117.46 112.45 1a0f n PHE 44 Ca -0.07 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.38 1a0f n PHE 44 Cb 0.93 -0.38 -0.02 0.00 -0.94 0.00 0.00 39.48 39.07 1a0f n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a0f h ALA 45 N 2.05 0.63 0.00 4.37 0.00 -1.94 -3.29 119.26 121.09 1a0f h ALA 45 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 54.20 1a0f h ALA 45 Cb 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1a0f h ALA 45 CO 0.00 0.48 -1.63 0.28 0.00 0.00 0.00 179.25 178.37 1a0f n VAL 46 N -2.87 1.53 -3.86 0.00 0.31 0.23 -4.86 118.33 108.81 1a0f n VAL 46 Ca -0.04 -0.12 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 1a0f n VAL 46 Cb 0.70 -2.02 -0.16 0.00 -0.91 0.00 0.00 33.84 31.45 1a0f n VAL 46 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1a0f s ASN 47 N -6.97 3.76 0.61 4.52 2.47 -0.55 -5.00 114.94 113.77 1a0f s ASN 47 Ca -0.31 -1.28 0.41 0.00 0.42 0.00 0.00 52.86 52.09 1a0f s ASN 47 Cb 0.09 -1.02 2.23 0.00 -1.45 0.00 0.00 41.25 41.10 1a0f s ASN 47 CO 0.53 -0.30 2.26 -0.65 -3.72 0.00 0.00 177.10 175.22 1a0f h PRO 48 N 8.02 0.00 0.00 0.43 0.11 -1.81 0.20 132.00 138.95 1a0f h PRO 48 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1a0f h PRO 48 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1a0f h PRO 48 CO 0.42 0.00 -0.17 1.63 -0.21 0.00 0.00 178.00 179.67 1a0f n LYS 49 N -2.94 0.19 -1.88 1.05 5.02 -1.26 -4.92 118.16 113.41 1a0f n LYS 49 Ca -0.03 0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 56.22 1a0f n LYS 49 Cb 0.07 -1.69 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 1a0f n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a0f n GLY 50 N 1.37 0.73 3.49 0.72 0.00 0.70 -4.99 105.19 107.21 1a0f n GLY 50 Ca 0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1a0f n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a0f s GLN 51 N -4.10 1.75 0.10 1.61 -0.21 -1.26 -5.00 119.66 112.55 1a0f s GLN 51 Ca 0.00 -1.74 0.06 0.00 0.02 0.00 0.00 55.36 53.70 1a0f s GLN 51 Cb 0.00 -1.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.16 1a0f s GLN 51 CO 0.00 0.32 -0.07 0.14 -2.12 0.00 0.00 175.29 173.57 1a0f s VAL 52 N -2.50 3.59 0.69 1.09 -7.23 -1.26 -4.51 120.40 110.28 1a0f s VAL 52 Ca 0.30 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1a0f s VAL 52 Cb -0.05 -2.69 0.05 0.00 0.56 0.00 0.00 36.38 34.26 1a0f s VAL 52 CO 0.16 0.13 1.01 -2.16 -0.31 0.00 0.00 175.10 173.92 1a0f s PRO 53 N -2.21 2.30 -0.15 4.82 0.04 -1.26 -4.71 135.00 133.83 1a0f s PRO 53 Ca 0.23 -0.19 -0.10 0.00 0.04 0.00 0.00 61.00 60.97 1a0f s PRO 53 Cb -0.11 -2.17 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1a0f s PRO 53 CO 0.15 -1.18 0.37 0.00 0.04 0.00 0.00 177.00 176.39 1a0f s ALA 54 N -3.23 -0.94 -0.20 8.56 0.00 -1.12 -4.12 121.76 120.72 1a0f s ALA 54 Ca 0.59 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 1a0f s ALA 54 Cb -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1a0f s ALA 54 CO 0.45 -0.22 -0.13 -1.17 0.00 0.00 0.00 175.76 174.69 1a0f s LEU 55 N 0.93 2.50 -0.26 0.00 2.96 0.10 -0.28 118.68 124.64 1a0f s LEU 55 Ca -0.06 -0.55 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 1a0f s LEU 55 Cb -0.07 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1a0f s LEU 55 CO -0.07 -0.01 0.54 -0.22 -1.32 0.00 0.00 176.35 175.26 1a0f s LEU 56 N 1.37 4.06 0.95 -0.68 2.96 0.69 -1.15 118.68 126.88 1a0f s LEU 56 Ca 0.05 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.38 1a0f s LEU 56 Cb -0.14 -2.71 0.18 0.00 0.50 0.00 0.00 46.19 44.03 1a0f s LEU 56 CO -0.08 -0.30 1.26 -0.76 -1.32 0.00 0.00 176.35 175.14 1a0f s LEU 57 N 2.32 2.40 0.08 -0.68 1.43 0.12 -1.46 118.68 122.89 1a0f s LEU 57 Ca 0.22 0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1a0f s LEU 57 Cb -0.16 -2.59 -0.19 0.00 0.03 0.00 0.00 46.19 43.29 1a0f s LEU 57 CO 0.09 -2.70 1.25 0.44 0.23 0.00 0.00 176.35 175.66 1a0f h ASP 58 N -1.62 0.88 0.00 2.29 3.32 -1.97 -3.12 116.42 116.21 1a0f h ASP 58 Ca -0.45 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 55.93 1a0f h ASP 58 Cb 1.27 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1a0f h ASP 58 CO 0.45 1.42 0.00 -0.90 -1.72 0.00 0.00 179.24 178.50 1a0f n ASP 59 N -3.96 4.08 0.00 6.45 5.75 -1.26 -4.78 116.55 122.83 1a0f n ASP 59 Ca -0.09 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1a0f n ASP 59 Cb 0.77 -0.83 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1a0f n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a0f n GLY 60 N 1.26 0.00 3.70 6.12 0.00 -1.18 -4.96 105.19 110.13 1a0f n GLY 60 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1a0f n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a0f s THR 61 N -0.82 4.53 -0.24 2.61 2.01 -1.26 -4.75 115.64 117.71 1a0f s THR 61 Ca 0.00 1.82 -0.14 0.00 0.31 0.00 0.00 61.69 63.68 1a0f s THR 61 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1a0f s THR 61 CO 0.00 0.10 0.32 -0.22 -0.69 0.00 0.00 174.62 174.13 1a0f s LEU 62 N 1.32 4.10 -0.13 4.42 1.98 -1.26 0.13 118.68 129.23 1a0f s LEU 62 Ca 0.54 0.31 0.02 0.00 -2.89 0.00 0.00 54.13 52.11 1a0f s LEU 62 Cb -0.24 -2.36 0.00 0.00 0.66 0.00 0.00 46.19 44.26 1a0f s LEU 62 CO 0.26 -0.08 -0.21 -0.22 -1.89 0.00 0.00 176.35 174.22 1a0f s LEU 63 N 1.53 2.20 0.00 -0.68 2.96 -0.30 -4.99 118.68 119.40 1a0f s LEU 63 Ca 0.14 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 1a0f s LEU 63 Cb -0.15 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1a0f s LEU 63 CO 0.08 0.10 0.20 0.35 -1.32 0.00 0.00 176.35 175.76 1a0f n THR 64 N 3.91 0.00 -1.38 3.68 -2.24 -1.26 -0.73 114.28 116.27 1a0f n THR 64 Ca -0.19 -2.26 0.00 0.00 -2.27 0.00 0.00 64.05 59.32 1a0f n THR 64 Cb 0.52 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1a0f n THR 64 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a0f n GLU 65 N -1.51 -2.17 -0.32 -0.78 -0.58 -1.26 -4.34 120.64 109.69 1a0f n GLU 65 Ca -0.12 1.85 0.08 0.00 -0.42 0.00 0.00 57.16 58.55 1a0f n GLU 65 Cb 0.63 -2.01 0.28 0.00 -0.57 0.00 0.00 31.44 29.76 1a0f n GLU 65 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1a0f h GLY 66 N 1.73 1.45 1.04 0.62 0.00 -1.93 -0.82 103.07 105.16 1a0f h GLY 66 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1a0f h GLY 66 CO 0.00 0.18 0.07 -2.08 0.00 0.00 0.00 176.54 174.71 1a0f h VAL 67 N 0.93 1.26 -0.61 4.60 2.07 -1.96 -0.78 116.25 121.75 1a0f h VAL 67 Ca 0.46 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 1a0f h VAL 67 Cb 0.48 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a0f h VAL 67 CO -0.22 0.38 0.01 0.00 0.02 0.00 0.00 177.57 177.75 1a0f h ALA 68 N 1.00 0.82 -0.41 1.67 0.00 -1.65 -2.61 119.26 118.08 1a0f h ALA 68 Ca 0.17 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1a0f h ALA 68 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1a0f h ALA 68 CO 0.02 0.66 0.14 0.82 0.00 0.00 0.00 179.25 180.88 1a0f h ILE 69 N 0.97 1.21 0.00 0.00 2.04 -1.00 -1.86 117.51 118.88 1a0f h ILE 69 Ca 0.17 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1a0f h ILE 69 Cb 0.55 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1a0f h ILE 69 CO 0.03 0.25 -0.37 0.24 0.00 0.00 0.00 178.15 178.30 1a0f h MET 70 N 0.52 0.00 0.00 2.37 2.86 -1.09 -0.68 114.93 118.91 1a0f h MET 70 Ca 0.13 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.54 1a0f h MET 70 Cb 0.25 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.91 1a0f h MET 70 CO -0.01 0.37 -0.97 1.96 1.06 0.00 0.00 176.91 179.33 1a0f h GLN 71 N 0.00 0.48 0.09 1.72 4.20 -1.37 -0.11 115.11 120.12 1a0f h GLN 71 Ca -0.00 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 1a0f h GLN 71 Cb 0.69 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 1a0f h GLN 71 CO 0.05 1.16 -0.06 -0.92 -0.67 0.00 0.00 178.83 178.38 1a0f h TYR 72 N 0.27 -0.17 0.27 2.96 3.20 -0.98 -0.15 116.97 122.38 1a0f h TYR 72 Ca -0.09 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1a0f h TYR 72 Cb 1.61 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.94 1a0f h TYR 72 CO 0.07 -0.10 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.28 1a0f h LEU 73 N -0.16 -0.31 -1.31 2.82 3.38 -1.11 -2.97 115.31 115.64 1a0f h LEU 73 Ca -0.00 -0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.03 1a0f h LEU 73 Cb 0.14 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1a0f h LEU 73 CO -0.00 -0.08 0.59 0.00 0.09 0.00 0.00 178.44 179.04 1a0f h ALA 74 N 0.14 1.94 0.00 1.53 0.00 -0.95 -1.61 119.26 120.30 1a0f h ALA 74 Ca -0.04 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1a0f h ALA 74 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1a0f h ALA 74 CO 0.06 -0.22 -0.59 -0.44 0.00 0.00 0.00 179.25 178.07 1a0f h ASP 75 N 0.60 0.00 0.90 0.00 3.32 -0.95 -3.17 116.42 117.13 1a0f h ASP 75 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1a0f h ASP 75 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1a0f h ASP 75 CO -0.23 0.59 0.00 -1.54 -1.72 0.00 0.00 179.24 176.34 1a0f n SER 76 N -3.52 0.00 -3.14 6.45 3.41 -0.61 -3.88 113.62 112.33 1a0f n SER 76 Ca -0.00 0.49 -0.23 0.00 -0.26 0.00 0.00 58.87 58.87 1a0f n SER 76 Cb 0.66 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 1a0f n SER 76 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1a0f n VAL 77 N -1.50 1.18 0.21 -3.33 0.24 -1.20 -4.92 118.33 109.02 1a0f n VAL 77 Ca 0.06 -4.92 0.18 0.00 -2.04 0.00 0.00 64.34 57.63 1a0f n VAL 77 Cb 0.31 -1.17 0.84 0.00 -1.47 0.00 0.00 33.84 32.35 1a0f n VAL 77 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1a0f h PRO 78 N 3.32 0.00 -0.29 7.34 0.13 -1.69 0.96 132.00 141.78 1a0f h PRO 78 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1a0f h PRO 78 Cb 0.76 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.87 1a0f h PRO 78 CO 0.65 0.00 0.17 0.38 -0.23 0.00 0.00 178.00 178.97 1a0f h ASP 79 N 0.00 0.33 1.10 1.44 2.03 -1.91 -2.27 116.42 117.14 1a0f h ASP 79 Ca 0.09 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.32 1a0f h ASP 79 Cb 0.60 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.01 1a0f h ASP 79 CO -0.00 0.26 -0.26 0.03 -1.03 0.00 0.00 179.24 178.24 1a0f h ARG 80 N 0.39 0.00 -3.15 4.15 2.47 -1.17 -3.47 114.38 113.60 1a0f h ARG 80 Ca 0.10 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.45 1a0f h ARG 80 Cb -0.01 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.31 1a0f h ARG 80 CO -0.02 0.26 -0.50 1.04 0.56 0.00 0.00 179.97 181.31 1a0f n GLN 81 N -3.34 -2.53 0.17 0.04 6.02 -0.85 -4.88 117.38 112.02 1a0f n GLN 81 Ca 0.01 0.87 0.14 0.00 -0.01 0.00 0.00 57.00 58.01 1a0f n GLN 81 Cb 0.49 -5.46 0.56 0.00 1.02 0.00 0.00 30.24 26.85 1a0f n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1a0f h LEU 82 N -0.45 0.00 -7.12 1.08 4.07 -1.82 -3.42 115.31 107.65 1a0f h LEU 82 Ca -0.46 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.45 1a0f h LEU 82 Cb 1.33 0.00 -0.24 0.00 1.08 0.00 0.00 40.66 42.83 1a0f h LEU 82 CO 0.52 0.00 -0.13 -0.22 -1.08 0.00 0.00 178.44 177.53 1a0f s LEU 83 N -4.98 -0.45 0.67 1.67 2.96 -1.26 -1.48 118.68 115.81 1a0f s LEU 83 Ca 0.03 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.98 1a0f s LEU 83 Cb 0.09 1.86 0.01 0.00 0.50 0.00 0.00 46.19 48.65 1a0f s LEU 83 CO 0.43 -0.21 1.14 0.00 -1.32 0.00 0.00 176.35 176.39 1a0f s ALA 84 N 1.34 2.38 0.72 5.97 0.00 -1.26 -4.93 121.76 125.97 1a0f s ALA 84 Ca -0.08 0.65 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 1a0f s ALA 84 Cb -0.06 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1a0f s ALA 84 CO -0.14 -1.42 1.23 -1.25 0.00 0.00 0.00 175.76 174.18 1a0f s PRO 85 N -4.01 2.19 0.36 0.00 0.04 -1.26 -4.59 135.00 127.74 1a0f s PRO 85 Ca 0.69 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 63.29 1a0f s PRO 85 Cb -0.23 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1a0f s PRO 85 CO 0.42 -1.82 1.39 1.55 0.04 0.00 0.00 177.00 178.59 1a0f n VAL 86 N -2.57 2.01 -0.73 -0.36 3.14 -1.26 -2.61 118.33 115.95 1a0f n VAL 86 Ca 0.14 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 1a0f n VAL 86 Cb 0.50 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.49 1a0f n VAL 86 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1a0f n ASN 87 N 0.59 0.00 -4.80 6.55 5.03 -1.26 -5.01 115.26 116.35 1a0f n ASN 87 Ca 0.03 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.10 1a0f n ASN 87 Cb 0.38 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.08 1a0f n ASN 87 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1a0f s SER 88 N -3.25 6.82 0.56 6.41 1.04 -1.07 -4.96 113.70 119.25 1a0f s SER 88 Ca 0.00 0.98 0.30 0.00 0.48 0.00 0.00 55.95 57.71 1a0f s SER 88 Cb 0.00 -2.28 1.68 0.00 0.10 0.00 0.00 66.02 65.52 1a0f s SER 88 CO 0.00 0.24 2.16 -0.29 0.98 0.00 0.00 173.24 176.34 1a0f h ILE 89 N 3.91 0.47 -0.69 -1.02 6.09 -1.95 -2.37 117.51 121.95 1a0f h ILE 89 Ca -0.49 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.71 1a0f h ILE 89 Cb 1.21 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.66 1a0f h ILE 89 CO 0.65 0.06 0.45 0.28 -3.07 0.00 0.00 178.15 176.52 1a0f h SER 90 N 0.00 0.81 -0.57 2.19 0.02 -1.93 -1.65 113.55 112.42 1a0f h SER 90 Ca -0.00 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1a0f h SER 90 Cb 0.19 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1a0f h SER 90 CO 0.01 0.60 0.21 -0.09 -1.14 0.00 0.00 176.83 176.42 1a0f h ARG 91 N 0.94 0.38 0.00 3.45 2.43 -1.65 -1.83 114.38 118.10 1a0f h ARG 91 Ca 0.25 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1a0f h ARG 91 Cb -0.09 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1a0f h ARG 91 CO -0.05 0.25 -0.12 1.88 -1.51 0.00 0.00 179.97 180.43 1a0f h TYR 92 N 0.40 0.00 0.02 2.20 0.05 -1.39 -1.86 116.97 116.39 1a0f h TYR 92 Ca 0.28 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.85 1a0f h TYR 92 Cb 0.33 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1a0f h TYR 92 CO -0.16 0.12 -0.97 0.87 -1.05 0.00 0.00 178.16 176.96 1a0f h LYS 93 N 0.00 0.07 -0.36 4.88 1.79 -0.79 -0.63 116.57 121.53 1a0f h LYS 93 Ca -0.00 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 58.21 1a0f h LYS 93 Cb 0.72 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1a0f h LYS 93 CO 0.02 0.98 -0.37 1.15 -1.08 0.00 0.00 179.45 180.14 1a0f h THR 94 N 0.03 1.28 0.00 -0.16 2.02 -0.75 -2.28 112.91 113.05 1a0f h THR 94 Ca -0.03 -1.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1a0f h THR 94 Cb 1.68 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 69.52 1a0f h THR 94 CO 0.14 0.51 -0.41 0.40 0.37 0.00 0.00 175.52 176.53 1a0f h ILE 95 N 0.69 1.17 -0.25 3.11 2.04 -1.28 -0.93 117.51 122.06 1a0f h ILE 95 Ca 0.06 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.42 1a0f h ILE 95 Cb 0.97 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1a0f h ILE 95 CO 0.09 0.40 -0.04 -0.08 0.00 0.00 0.00 178.15 178.52 1a0f h GLU 96 N 0.00 0.46 -0.63 2.37 4.81 -0.96 -1.90 114.58 118.74 1a0f h GLU 96 Ca -0.00 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1a0f h GLU 96 Cb 0.78 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1a0f h GLU 96 CO 0.05 0.67 0.12 -1.49 -0.73 0.00 0.00 179.01 177.63 1a0f h TRP 97 N 0.21 1.09 -0.96 0.92 4.06 -0.99 -1.49 115.95 118.79 1a0f h TRP 97 Ca 0.07 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.89 1a0f h TRP 97 Cb 0.49 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.29 1a0f h TRP 97 CO 0.05 0.92 0.63 -0.07 -3.56 0.00 0.00 178.44 176.41 1a0f h LEU 98 N 0.94 1.07 -0.27 -4.49 3.38 -1.01 -0.59 115.31 114.35 1a0f h LEU 98 Ca 0.19 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1a0f h LEU 98 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a0f h LEU 98 CO 0.01 0.76 -0.87 -1.13 0.09 0.00 0.00 178.44 177.29 1a0f h ASN 99 N 1.26 0.41 -0.35 -0.43 -1.24 -1.25 -0.90 115.58 113.08 1a0f h ASN 99 Ca 0.37 -0.32 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1a0f h ASN 99 Cb -0.07 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 1a0f h ASN 99 CO -0.10 1.10 0.16 0.22 -1.29 0.00 0.00 177.43 177.52 1a0f h TYR 100 N 0.19 0.52 -0.24 0.67 3.20 -0.91 -1.81 116.97 118.59 1a0f h TYR 100 Ca -0.06 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1a0f h TYR 100 Cb 1.49 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1a0f h TYR 100 CO 0.04 0.46 0.13 0.82 -1.64 0.00 0.00 178.16 177.98 1a0f h ILE 101 N 0.43 1.11 0.38 1.81 2.04 -1.06 -0.10 117.51 122.12 1a0f h ILE 101 Ca 0.12 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1a0f h ILE 101 Cb 0.15 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1a0f h ILE 101 CO -0.01 0.11 -0.26 0.00 0.00 0.00 0.00 178.15 177.99 1a0f h ALA 102 N 1.02 -0.63 0.15 1.87 0.00 -1.13 0.15 119.26 120.69 1a0f h ALA 102 Ca 0.08 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1a0f h ALA 102 Cb 0.06 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1a0f h ALA 102 CO -0.01 -0.87 -1.51 1.79 0.00 0.00 0.00 179.25 178.65 1a0f h THR 103 N -0.63 1.20 0.03 0.00 1.35 -1.37 -2.39 112.91 111.10 1a0f h THR 103 Ca -0.04 -2.79 -0.36 0.00 -0.55 0.00 0.00 66.41 62.68 1a0f h THR 103 Cb 0.53 2.83 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 1a0f h THR 103 CO 0.02 0.84 -2.18 -0.62 -0.25 0.00 0.00 175.52 173.33 1a0f n GLU 104 N -3.52 0.68 -0.08 4.72 -0.58 -0.06 -4.27 120.64 117.53 1a0f n GLU 104 Ca -0.16 0.17 -0.08 0.00 -0.42 0.00 0.00 57.16 56.67 1a0f n GLU 104 Cb 1.05 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 1a0f n GLU 104 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1a0f n LEU 105 N -3.15 1.85 0.14 -4.62 4.77 -1.01 -3.75 117.00 111.22 1a0f n LEU 105 Ca -0.33 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1a0f n LEU 105 Cb 1.06 -0.75 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1a0f n LEU 105 CO 0.38 -0.30 0.61 -0.74 -1.33 0.00 0.00 177.39 176.01 1a0f h HIS 106 N -0.96 -1.05 0.00 -1.77 2.76 -0.82 -0.23 115.15 113.08 1a0f h HIS 106 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1a0f h HIS 106 Cb 0.90 0.44 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1a0f h HIS 106 CO -0.39 -0.49 0.00 1.63 -1.30 0.00 0.00 177.93 177.38 1a0f n LYS 107 N -5.45 0.12 0.08 5.26 4.76 -0.90 -2.39 118.16 119.63 1a0f n LYS 107 Ca -0.07 0.27 -0.12 0.00 -2.87 0.00 0.00 58.31 55.52 1a0f n LYS 107 Cb 0.36 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 31.82 1a0f n LYS 107 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1a0f h GLY 108 N 3.12 0.36 1.75 0.72 0.00 -1.21 -3.32 103.07 104.48 1a0f h GLY 108 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1a0f h GLY 108 CO 0.00 0.59 -0.61 0.74 0.00 0.00 0.00 176.54 177.26 1a0f h PHE 109 N 0.17 0.00 -0.73 5.60 0.04 -0.74 -3.39 116.94 117.89 1a0f h PHE 109 Ca -0.07 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.86 1a0f h PHE 109 Cb 1.60 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.64 1a0f h PHE 109 CO 0.05 0.39 0.11 1.15 -0.60 0.00 0.00 178.31 179.41 1a0f h THR 110 N 0.00 0.45 -0.08 -1.55 2.02 -1.59 -1.51 112.91 110.65 1a0f h THR 110 Ca -0.03 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1a0f h THR 110 Cb 1.33 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1a0f h THR 110 CO 0.05 0.04 0.06 -0.65 0.37 0.00 0.00 175.52 175.38 1a0f h PRO 111 N 0.19 0.00 0.00 6.66 0.11 -1.79 -0.54 132.00 136.63 1a0f h PRO 111 Ca 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 1a0f h PRO 111 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 1a0f h PRO 111 CO -0.57 0.00 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.01 1a0f h LEU 112 N 0.00 0.00 -1.58 2.35 3.38 -1.56 -2.61 115.31 115.30 1a0f h LEU 112 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1a0f h LEU 112 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1a0f h LEU 112 CO -0.00 0.14 -0.11 0.49 0.09 0.00 0.00 178.44 179.05 1a0f n PHE 113 N -3.54 0.00 -3.22 1.13 3.72 -0.27 -4.95 117.46 110.34 1a0f n PHE 113 Ca -0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.00 1a0f n PHE 113 Cb 0.29 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 1a0f n PHE 113 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1a0f s ARG 114 N -1.87 4.36 0.55 -1.08 0.52 -0.86 -4.96 118.95 115.61 1a0f s ARG 114 Ca 0.22 0.59 0.33 0.00 -0.52 0.00 0.00 55.73 56.35 1a0f s ARG 114 Cb 0.17 -3.45 1.58 0.00 0.52 0.00 0.00 34.95 33.77 1a0f s ARG 114 CO 0.33 0.10 2.09 -1.00 0.02 0.00 0.00 175.30 176.83 1a0f h PRO 115 N 6.80 0.00 -0.18 3.54 0.13 -1.92 -2.59 132.00 137.77 1a0f h PRO 115 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1a0f h PRO 115 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1a0f h PRO 115 CO 0.76 0.07 0.00 -0.40 -0.23 0.00 0.00 178.00 178.19 1a0f n ASP 116 N -3.33 2.05 -4.69 1.44 5.75 -1.26 -4.86 116.55 111.64 1a0f n ASP 116 Ca -0.01 -1.76 -0.42 0.00 -0.01 0.00 0.00 54.79 52.59 1a0f n ASP 116 Cb 0.24 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.19 1a0f n ASP 116 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1a0f s THR 117 N -1.77 4.84 0.02 2.12 2.01 -0.98 -4.99 115.64 116.90 1a0f s THR 117 Ca 0.34 1.94 -0.30 0.00 0.31 0.00 0.00 61.69 63.97 1a0f s THR 117 Cb 0.19 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1a0f s THR 117 CO 0.28 0.07 1.26 -2.16 -0.69 0.00 0.00 174.62 173.39 1a0f s PRO 118 N 1.65 4.37 0.30 4.92 0.04 -1.26 -4.96 135.00 140.05 1a0f s PRO 118 Ca 0.47 1.82 0.03 0.00 0.04 0.00 0.00 61.00 63.36 1a0f s PRO 118 Cb -0.19 -3.44 0.78 0.00 0.04 0.00 0.00 34.50 31.69 1a0f s PRO 118 CO 0.20 -0.39 1.60 0.93 0.04 0.00 0.00 177.00 179.38 1a0f h GLU 119 N 7.20 0.08 0.00 4.56 4.39 -1.98 0.26 114.58 129.09 1a0f h GLU 119 Ca -0.39 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1a0f h GLU 119 Cb 1.19 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1a0f h GLU 119 CO 0.85 0.05 0.00 1.05 -1.16 0.00 0.00 179.01 179.81 1a0f h GLU 120 N 0.08 0.00 0.10 2.33 9.09 -2.04 -2.11 114.58 122.03 1a0f h GLU 120 Ca 0.59 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.70 1a0f h GLU 120 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1a0f h GLU 120 CO -0.79 0.00 -1.61 -0.92 0.05 0.00 0.00 179.01 175.74 1a0f h TYR 121 N 0.00 0.37 -0.84 2.06 3.20 -0.87 -3.39 116.97 117.50 1a0f h TYR 121 Ca 0.00 -0.27 0.16 0.00 3.14 0.00 0.00 58.73 61.76 1a0f h TYR 121 Cb 0.03 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.18 1a0f h TYR 121 CO 0.00 1.37 0.40 0.87 -1.64 0.00 0.00 178.16 179.16 1a0f h LYS 122 N 0.06 0.52 -0.04 1.82 1.57 -1.39 0.30 116.57 119.41 1a0f h LYS 122 Ca -0.27 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1a0f h LYS 122 Cb 2.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.20 1a0f h LYS 122 CO 0.14 0.34 -0.14 -1.35 -0.57 0.00 0.00 179.45 177.87 1a0f h PRO 123 N 0.54 0.06 -0.54 3.15 0.11 -1.75 -2.26 132.00 131.31 1a0f h PRO 123 Ca 0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.46 1a0f h PRO 123 Cb 0.75 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1a0f h PRO 123 CO -0.41 0.20 -0.11 1.15 -0.21 0.00 0.00 178.00 178.62 1a0f h THR 124 N 0.06 1.27 -0.02 -1.15 2.02 -1.17 -2.65 112.91 111.27 1a0f h THR 124 Ca 0.01 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 1a0f h THR 124 Cb 0.28 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1a0f h THR 124 CO 0.02 0.45 0.01 0.58 0.37 0.00 0.00 175.52 176.95 1a0f h VAL 125 N 0.90 1.12 -0.73 3.16 2.07 -0.99 -2.16 116.25 119.61 1a0f h VAL 125 Ca 0.14 -0.36 0.12 0.00 0.82 0.00 0.00 66.70 67.43 1a0f h VAL 125 Cb 0.68 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.69 1a0f h VAL 125 CO 0.05 0.10 0.31 0.03 0.02 0.00 0.00 177.57 178.08 1a0f h ARG 126 N -0.12 0.48 -0.53 1.57 3.08 -1.31 0.10 114.38 117.66 1a0f h ARG 126 Ca 0.01 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1a0f h ARG 126 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1a0f h ARG 126 CO -0.00 0.32 0.05 0.00 -1.07 0.00 0.00 179.97 179.26 1a0f h ALA 127 N 1.50 1.09 -0.30 0.04 0.00 -1.40 -1.79 119.26 118.40 1a0f h ALA 127 Ca 0.39 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1a0f h ALA 127 Cb 0.54 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a0f h ALA 127 CO -0.36 0.58 -0.35 1.96 0.00 0.00 0.00 179.25 181.09 1a0f h GLN 128 N 0.81 0.77 -0.38 0.00 4.20 -0.55 -3.19 115.11 116.77 1a0f h GLN 128 Ca 0.16 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1a0f h GLN 128 Cb 0.42 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1a0f h GLN 128 CO 0.01 1.05 0.08 -0.07 -0.67 0.00 0.00 178.83 179.23 1a0f h LEU 129 N 0.53 0.51 -0.08 1.46 3.38 -0.92 -2.76 115.31 117.43 1a0f h LEU 129 Ca 0.04 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1a0f h LEU 129 Cb 0.93 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1a0f h LEU 129 CO 0.08 0.53 -0.09 -0.33 0.09 0.00 0.00 178.44 178.73 1a0f h GLU 130 N 0.55 -0.11 -0.42 1.13 4.39 -1.32 0.23 114.58 119.03 1a0f h GLU 130 Ca 0.13 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 1a0f h GLU 130 Cb 0.23 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1a0f h GLU 130 CO -0.00 -0.07 0.23 0.87 -1.16 0.00 0.00 179.01 178.87 1a0f h LYS 131 N -0.11 0.44 -0.78 2.33 6.56 -1.54 -1.97 116.57 121.51 1a0f h LYS 131 Ca 0.06 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1a0f h LYS 131 Cb 0.20 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 1a0f h LYS 131 CO -0.15 0.29 0.50 0.87 -2.06 0.00 0.00 179.45 178.90 1a0f h LYS 132 N 0.46 0.96 0.00 3.15 1.57 -1.15 -1.67 116.57 119.88 1a0f h LYS 132 Ca 0.18 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1a0f h LYS 132 Cb 0.06 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1a0f h LYS 132 CO -0.11 0.63 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.19 1a0f h LEU 133 N 0.99 0.00 -0.37 2.94 3.38 -0.08 -1.67 115.31 120.49 1a0f h LEU 133 Ca 0.30 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 1a0f h LEU 133 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1a0f h LEU 133 CO -0.10 0.14 -0.81 1.56 0.09 0.00 0.00 178.44 179.32 1a0f h GLN 134 N 0.00 0.17 -0.10 1.13 4.20 -0.57 -1.41 115.11 118.53 1a0f h GLN 134 Ca -0.00 -0.17 -0.15 0.00 0.06 0.00 0.00 58.65 58.40 1a0f h GLN 134 Cb 0.47 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 1a0f h GLN 134 CO 0.02 0.89 -0.58 -0.92 -0.67 0.00 0.00 178.83 177.57 1a0f h TYR 135 N 0.10 0.39 -0.24 2.96 3.20 -1.02 -2.67 116.97 119.69 1a0f h TYR 135 Ca -0.03 -0.14 -0.17 0.00 3.14 0.00 0.00 58.73 61.52 1a0f h TYR 135 Cb 1.42 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.61 1a0f h TYR 135 CO 0.02 0.81 -0.56 0.28 -1.64 0.00 0.00 178.16 177.07 1a0f h VAL 136 N 0.23 1.30 -0.23 1.81 2.07 -1.17 -2.66 116.25 117.59 1a0f h VAL 136 Ca -0.00 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1a0f h VAL 136 Cb 1.08 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1a0f h VAL 136 CO 0.09 0.56 0.14 -1.13 0.02 0.00 0.00 177.57 177.26 1a0f h ASN 137 N 0.55 0.28 0.81 0.57 -1.24 -1.10 -2.11 115.58 113.35 1a0f h ASN 137 Ca 0.01 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 1a0f h ASN 137 Cb 1.13 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.11 1a0f h ASN 137 CO 0.11 0.26 -0.14 -0.33 -1.29 0.00 0.00 177.43 176.04 1a0f h GLU 138 N 0.28 0.00 0.00 6.67 4.39 -1.50 -2.76 114.58 121.66 1a0f h GLU 138 Ca 0.08 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 1a0f h GLU 138 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1a0f h GLU 138 CO -0.02 0.14 -0.09 0.00 -1.16 0.00 0.00 179.01 177.89 1a0f h ALA 139 N 1.86 0.98 -0.53 3.43 0.00 -1.02 -2.94 119.26 121.03 1a0f h ALA 139 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1a0f h ALA 139 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1a0f h ALA 139 CO 0.02 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1a0f n LEU 140 N -3.16 4.21 0.21 0.00 4.77 -1.01 -4.54 117.00 117.48 1a0f n LEU 140 Ca 0.02 -2.42 0.14 0.00 -0.03 0.00 0.00 56.01 53.72 1a0f n LEU 140 Cb 0.44 -0.50 0.74 0.00 -2.33 0.00 0.00 43.42 41.78 1a0f n LEU 140 CO 0.32 0.79 0.93 0.07 -1.33 0.00 0.00 177.39 178.16 1a0f h LYS 141 N 3.31 0.00 0.00 3.23 2.10 -1.42 0.17 116.57 123.97 1a0f h LYS 141 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1a0f h LYS 141 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1a0f h LYS 141 CO 0.17 0.00 0.00 0.22 -2.00 0.00 0.00 179.45 177.84 1a0f h ASP 142 N 0.00 0.00 -5.38 7.07 3.58 -1.84 -3.48 116.42 116.37 1a0f h ASP 142 Ca 0.00 0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 1a0f h ASP 142 Cb 0.06 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.23 1a0f h ASP 142 CO 0.00 0.00 -0.64 -0.62 -2.88 0.00 0.00 179.24 175.10 1a0f n GLU 143 N -2.93 -7.07 0.00 0.28 -0.58 0.59 -4.97 120.64 105.95 1a0f n GLU 143 Ca 0.04 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.60 1a0f n GLU 143 Cb 0.46 -5.76 0.00 0.00 -0.57 0.00 0.00 31.44 25.57 1a0f n GLU 143 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1a0f n HIS 144 N -4.84 0.00 -3.07 -0.32 8.25 -1.26 -5.04 115.22 108.94 1a0f n HIS 144 Ca -0.02 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 1a0f n HIS 144 Cb 0.57 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.71 1a0f n HIS 144 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1a0f s TRP 145 N 3.76 2.13 0.36 4.41 0.52 0.41 -4.94 118.94 125.59 1a0f s TRP 145 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 56.10 55.61 1a0f s TRP 145 Cb 0.00 -2.28 0.68 0.00 -1.15 0.00 0.00 33.47 30.72 1a0f s TRP 145 CO 0.00 -0.74 1.93 0.97 0.02 0.00 0.00 176.95 179.12 1a0f h ILE 146 N 0.45 1.17 -0.58 2.03 6.09 -1.92 -2.97 117.51 121.78 1a0f h ILE 146 Ca -0.35 -0.63 -0.06 0.00 -1.37 0.00 0.00 64.86 62.45 1a0f h ILE 146 Cb 1.28 0.84 -0.03 0.00 0.47 0.00 0.00 36.82 39.38 1a0f h ILE 146 CO 0.44 0.22 0.07 0.00 -3.07 0.00 0.00 178.15 175.81 1a0f n GLY 148 N 0.27 0.29 0.19 0.00 0.00 -1.12 -4.63 105.19 100.19 1a0f n GLY 148 Ca 0.31 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.82 1a0f n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a0f h GLN 149 N 0.00 0.00 -5.97 1.61 1.08 -1.97 0.12 115.11 109.98 1a0f h GLN 149 Ca 0.00 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.53 1a0f h GLN 149 Cb 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.31 1a0f h GLN 149 CO 0.00 0.07 -0.59 0.50 -0.95 0.00 0.00 178.83 177.86 1a0f s ARG 150 N -3.19 3.04 0.06 1.46 3.52 -1.26 -4.79 118.95 117.78 1a0f s ARG 150 Ca 0.05 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 54.92 1a0f s ARG 150 Cb 0.06 -2.85 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 1a0f s ARG 150 CO 0.70 0.68 1.07 0.12 -0.81 0.00 0.00 175.30 177.07 1a0f s PHE 151 N -1.03 3.59 0.31 5.12 5.36 -1.26 -4.54 117.98 125.52 1a0f s PHE 151 Ca 0.18 1.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.73 1a0f s PHE 151 Cb -0.12 -3.24 -0.04 0.00 -0.34 0.00 0.00 43.02 39.28 1a0f s PHE 151 CO 0.07 -0.53 0.15 0.95 -1.46 0.00 0.00 175.22 174.41 1a0f s THR 152 N 0.74 0.36 0.66 0.12 -4.23 -1.26 -4.53 115.64 107.51 1a0f s THR 152 Ca 0.53 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.45 1a0f s THR 152 Cb -0.25 -2.52 0.41 0.00 1.34 0.00 0.00 72.50 71.48 1a0f s THR 152 CO 0.30 0.00 2.27 0.16 -0.54 0.00 0.00 174.62 176.80 1a0f h ILE 153 N 2.20 0.03 0.00 2.99 3.07 -1.62 -0.73 117.51 123.46 1a0f h ILE 153 Ca -0.34 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.00 1a0f h ILE 153 Cb 1.25 0.92 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 1a0f h ILE 153 CO 0.53 0.00 -0.32 0.00 -1.05 0.00 0.00 178.15 177.31 1a0f h ALA 154 N 1.85 1.41 -0.19 0.16 0.00 -1.88 -2.67 119.26 117.95 1a0f h ALA 154 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 1a0f h ALA 154 Cb 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1a0f h ALA 154 CO -0.00 0.39 -0.61 -0.44 0.00 0.00 0.00 179.25 178.60 1a0f h ASP 155 N 0.00 0.71 -0.75 0.00 3.32 -1.53 -1.21 116.42 116.96 1a0f h ASP 155 Ca -0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1a0f h ASP 155 Cb 0.58 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1a0f h ASP 155 CO 0.04 1.15 0.32 0.00 -1.72 0.00 0.00 179.24 179.03 1a0f h ALA 156 N 0.86 0.98 -0.17 3.45 0.00 -1.54 -1.94 119.26 120.89 1a0f h ALA 156 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1a0f h ALA 156 Cb 1.18 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1a0f h ALA 156 CO 0.12 0.58 -0.54 -0.92 0.00 0.00 0.00 179.25 178.49 1a0f h TYR 157 N 1.08 0.87 -0.27 0.00 3.20 -1.40 -2.70 116.97 117.74 1a0f h TYR 157 Ca 0.25 -0.35 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 1a0f h TYR 157 Cb 0.19 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1a0f h TYR 157 CO 0.02 1.15 0.09 1.25 -1.64 0.00 0.00 178.16 179.02 1a0f h LEU 158 N 0.35 0.39 -0.76 2.82 6.46 -1.12 -2.77 115.31 120.68 1a0f h LEU 158 Ca -0.02 -0.19 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 1a0f h LEU 158 Cb 1.17 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 1a0f h LEU 158 CO 0.12 0.47 0.48 0.15 -0.62 0.00 0.00 178.44 179.04 1a0f h PHE 159 N 0.28 0.89 -0.49 1.25 3.57 -1.44 -0.57 116.94 120.43 1a0f h PHE 159 Ca 0.09 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 1a0f h PHE 159 Cb 0.22 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1a0f h PHE 159 CO 0.00 0.51 0.32 1.15 -2.23 0.00 0.00 178.31 178.06 1a0f h THR 160 N 0.93 1.10 -0.01 4.41 2.02 -1.33 -2.58 112.91 117.46 1a0f h THR 160 Ca 0.30 -0.22 -0.21 0.00 0.77 0.00 0.00 66.41 67.05 1a0f h THR 160 Cb 0.02 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1a0f h THR 160 CO -0.11 0.12 -0.89 0.58 0.37 0.00 0.00 175.52 175.58 1a0f h VAL 161 N 0.64 1.44 -0.04 3.16 2.07 -1.33 -3.24 116.25 118.94 1a0f h VAL 161 Ca 0.19 -2.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1a0f h VAL 161 Cb -0.05 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1a0f h VAL 161 CO -0.06 0.73 -0.12 -0.07 0.02 0.00 0.00 177.57 178.08 1a0f h LEU 162 N 0.18 0.06 -1.77 2.57 4.07 -1.01 -1.72 115.31 117.69 1a0f h LEU 162 Ca -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1a0f h LEU 162 Cb 1.52 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 1a0f h LEU 162 CO 0.15 0.19 0.05 0.03 -1.08 0.00 0.00 178.44 177.77 1a0f h ARG 163 N 0.06 0.19 0.00 1.13 3.08 -1.48 -1.26 114.38 116.10 1a0f h ARG 163 Ca 0.01 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1a0f h ARG 163 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1a0f h ARG 163 CO 0.02 0.17 -0.32 -1.49 -1.07 0.00 0.00 179.97 177.28 1a0f h TRP 164 N 0.20 0.00 -0.27 3.04 6.55 -1.46 -1.33 115.95 122.67 1a0f h TRP 164 Ca 0.05 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.82 1a0f h TRP 164 Cb 0.06 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 1a0f h TRP 164 CO 0.00 0.32 -0.12 0.00 -1.05 0.00 0.00 178.44 177.58 1a0f h ALA 165 N 1.68 1.28 0.05 1.49 0.00 -1.28 -2.22 119.26 120.26 1a0f h ALA 165 Ca -0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.37 1a0f h ALA 165 Cb 0.80 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.49 1a0f h ALA 165 CO 0.04 0.48 -1.12 1.88 0.00 0.00 0.00 179.25 180.52 1a0f h TYR 166 N 0.42 1.02 -0.37 0.00 -1.99 -1.30 -1.75 116.97 113.00 1a0f h TYR 166 Ca 0.08 -0.59 -0.06 0.00 2.00 0.00 0.00 58.73 60.16 1a0f h TYR 166 Cb 0.48 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 39.08 1a0f h TYR 166 CO 0.01 1.43 -0.02 0.00 -0.00 0.00 0.00 178.16 179.58 1a0f h ALA 167 N 0.37 1.27 -0.02 3.88 0.00 -1.12 -2.87 119.26 120.77 1a0f h ALA 167 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1a0f h ALA 167 Cb 1.78 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1a0f h ALA 167 CO 0.22 0.49 -0.02 1.55 0.00 0.00 0.00 179.25 181.49 1a0f n VAL 168 N -4.24 0.00 -3.55 0.00 3.14 -0.85 -4.98 118.33 107.85 1a0f n VAL 168 Ca 0.02 -0.35 -0.19 0.00 -2.96 0.00 0.00 64.34 60.85 1a0f n VAL 168 Cb 0.28 0.94 0.07 0.00 -1.06 0.00 0.00 33.84 34.07 1a0f n VAL 168 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1a0f n LYS 169 N 0.65 -6.06 -2.43 1.45 4.01 -1.03 -4.99 118.16 109.76 1a0f n LYS 169 Ca 0.16 0.76 -0.37 0.00 -0.51 0.00 0.00 58.31 58.36 1a0f n LYS 169 Cb 0.46 -5.62 -0.03 0.00 -0.51 0.00 0.00 35.03 29.34 1a0f n LYS 169 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1a0f s LEU 170 N -6.54 4.10 -0.16 -0.35 1.43 -0.69 -4.91 118.68 111.56 1a0f s LEU 170 Ca 0.05 2.15 -0.29 0.00 -1.03 0.00 0.00 54.13 55.01 1a0f s LEU 170 Cb -0.02 -4.20 -0.05 0.00 0.03 0.00 0.00 46.19 41.95 1a0f s LEU 170 CO 0.76 -0.65 1.93 0.21 0.23 0.00 0.00 176.35 178.83 1a0f s ASN 171 N -1.47 6.04 -0.18 2.29 3.84 -1.26 -4.82 114.94 119.37 1a0f s ASN 171 Ca 0.60 1.96 0.16 0.00 0.21 0.00 0.00 52.86 55.79 1a0f s ASN 171 Cb -0.25 -2.52 0.49 0.00 -0.55 0.00 0.00 41.25 38.41 1a0f s ASN 171 CO 0.31 -1.48 1.38 0.18 -2.79 0.00 0.00 177.10 174.69 1a0f n LEU 172 N 9.47 3.64 -4.74 3.21 4.77 -1.26 -5.02 117.00 127.07 1a0f n LEU 172 Ca 0.23 -3.12 -0.41 0.00 -0.03 0.00 0.00 56.01 52.68 1a0f n LEU 172 Cb 0.44 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.96 1a0f n LEU 172 CO 0.66 0.75 0.86 -1.61 -1.33 0.00 0.00 177.39 176.72 1a0f s GLU 173 N -2.89 4.52 0.00 3.23 0.41 -1.26 -3.11 118.70 119.60 1a0f s GLU 173 Ca 0.41 1.83 0.00 0.00 -0.41 0.00 0.00 54.97 56.80 1a0f s GLU 173 Cb 0.34 -3.25 0.00 0.00 -1.78 0.00 0.00 34.13 29.44 1a0f s GLU 173 CO 0.07 -0.04 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 1a0f n GLY 174 N 2.14 2.88 3.20 -1.39 0.00 -1.26 -4.93 105.19 105.83 1a0f n GLY 174 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1a0f n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a0f n LEU 175 N 0.00 5.83 0.10 0.99 4.32 -1.18 -4.76 117.00 122.30 1a0f n LEU 175 Ca 0.00 -4.34 -0.04 0.00 -0.02 0.00 0.00 56.01 51.62 1a0f n LEU 175 Cb 0.00 -1.62 0.01 0.00 -1.62 0.00 0.00 43.42 40.19 1a0f n LEU 175 CO 0.00 0.84 0.31 -0.33 -1.22 0.00 0.00 177.39 176.99 1a0f h GLU 176 N 6.66 0.00 -0.16 3.23 4.39 -1.91 -3.18 114.58 123.60 1a0f h GLU 176 Ca 0.41 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.96 1a0f h GLU 176 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1a0f h GLU 176 CO 1.51 0.80 -0.54 0.45 -1.16 0.00 0.00 179.01 180.06 1a0f h HIS 177 N 0.00 0.60 -0.06 4.33 3.86 -1.86 -1.96 115.15 120.06 1a0f h HIS 177 Ca -0.01 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1a0f h HIS 177 Cb 1.48 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.83 1a0f h HIS 177 CO 0.00 0.91 0.02 0.82 0.86 0.00 0.00 177.93 180.54 1a0f h ILE 178 N 0.37 1.17 -0.84 2.45 2.04 -1.84 -1.35 117.51 119.51 1a0f h ILE 178 Ca 0.01 -0.50 0.11 0.00 1.00 0.00 0.00 64.86 65.48 1a0f h ILE 178 Cb 1.07 1.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.46 1a0f h ILE 178 CO 0.10 0.14 0.46 0.00 0.00 0.00 0.00 178.15 178.85 1a0f h ALA 179 N 0.83 1.22 -0.04 1.87 0.00 -1.51 -0.82 119.26 120.80 1a0f h ALA 179 Ca 0.02 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1a0f h ALA 179 Cb 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1a0f h ALA 179 CO -0.00 0.03 -0.69 0.00 0.00 0.00 0.00 179.25 178.59 1a0f h ALA 180 N 1.49 0.75 -0.39 0.00 0.00 -1.21 -2.72 119.26 117.19 1a0f h ALA 180 Ca 0.42 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1a0f h ALA 180 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1a0f h ALA 180 CO -0.29 0.79 -0.17 0.35 0.00 0.00 0.00 179.25 179.93 1a0f h PHE 181 N 0.14 0.82 0.00 0.00 3.57 -0.46 -1.77 116.94 119.25 1a0f h PHE 181 Ca -0.02 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1a0f h PHE 181 Cb 1.23 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1a0f h PHE 181 CO 0.02 0.86 -0.37 0.52 -2.23 0.00 0.00 178.31 177.10 1a0f h MET 182 N 0.65 0.00 0.09 1.11 2.86 -1.05 -0.90 114.93 117.69 1a0f h MET 182 Ca 0.10 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.59 1a0f h MET 182 Cb 0.66 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.33 1a0f h MET 182 CO 0.05 0.37 -0.66 0.37 1.06 0.00 0.00 176.91 178.10 1a0f h GLN 183 N 0.00 0.29 -0.82 1.72 5.75 -1.19 -2.60 115.11 118.27 1a0f h GLN 183 Ca -0.00 -0.44 0.09 0.00 -0.15 0.00 0.00 58.65 58.15 1a0f h GLN 183 Cb 0.69 0.15 -0.07 0.00 1.07 0.00 0.00 27.48 29.32 1a0f h GLN 183 CO 0.05 1.17 0.48 -0.09 -2.65 0.00 0.00 178.83 177.79 1a0f h ARG 184 N -0.36 0.80 -0.25 1.69 2.43 -1.25 -2.00 114.38 115.43 1a0f h ARG 184 Ca -0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1a0f h ARG 184 Cb 1.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1a0f h ARG 184 CO 0.13 0.53 0.00 0.52 -1.51 0.00 0.00 179.97 179.64 1a0f h MET 185 N 0.82 0.45 0.00 0.20 2.86 -1.23 -3.02 114.93 115.02 1a0f h MET 185 Ca 0.39 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1a0f h MET 185 Cb 0.31 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1a0f h MET 185 CO -0.23 0.61 -0.05 0.00 1.06 0.00 0.00 176.91 178.31 1a0f h ALA 186 N 0.82 1.09 -0.02 6.32 0.00 -1.01 -2.27 119.26 124.18 1a0f h ALA 186 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a0f h ALA 186 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1a0f h ALA 186 CO 0.01 0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1a0f n GLU 187 N -3.28 1.16 -3.11 0.00 1.02 -0.80 -4.56 120.64 111.08 1a0f n GLU 187 Ca -0.01 -0.24 -0.40 0.00 -0.02 0.00 0.00 57.16 56.49 1a0f n GLU 187 Cb 0.22 -1.40 -0.05 0.00 -0.02 0.00 0.00 31.44 30.19 1a0f n GLU 187 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1a0f s ARG 188 N -1.97 4.33 0.39 3.49 0.52 -0.86 -4.97 118.95 119.87 1a0f s ARG 188 Ca 0.36 0.71 0.11 0.00 -0.52 0.00 0.00 55.73 56.39 1a0f s ARG 188 Cb 0.17 -3.50 0.89 0.00 0.52 0.00 0.00 34.95 33.03 1a0f s ARG 188 CO 0.29 -0.05 1.92 -1.00 0.02 0.00 0.00 175.30 176.47 1a0f h PRO 189 N 7.05 0.58 0.00 3.54 0.13 -1.89 -2.19 132.00 139.23 1a0f h PRO 189 Ca -0.37 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 1a0f h PRO 189 Cb 1.17 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1a0f h PRO 189 CO 0.77 0.38 -0.44 0.93 -0.23 0.00 0.00 178.00 179.41 1a0f h GLU 190 N 0.60 0.00 0.00 0.86 4.39 -1.95 0.11 114.58 118.59 1a0f h GLU 190 Ca 0.38 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.87 1a0f h GLU 190 Cb 0.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1a0f h GLU 190 CO -0.14 0.44 -1.16 -0.39 -1.16 0.00 0.00 179.01 176.60 1a0f h VAL 191 N 0.00 1.20 -0.21 3.13 -1.51 -1.81 -2.25 116.25 114.80 1a0f h VAL 191 Ca -0.00 -2.87 -0.09 0.00 -1.23 0.00 0.00 66.70 62.50 1a0f h VAL 191 Cb 1.03 2.57 -0.00 0.00 -2.13 0.00 0.00 31.29 32.76 1a0f h VAL 191 CO 0.06 0.68 -0.23 1.56 -1.23 0.00 0.00 177.57 178.41 1a0f h GLN 192 N 0.00 0.53 -0.49 5.19 1.08 -1.23 0.16 115.11 120.35 1a0f h GLN 192 Ca -0.10 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1a0f h GLN 192 Cb 1.75 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 29.18 1a0f h GLN 192 CO 0.10 0.87 0.30 -0.44 -0.95 0.00 0.00 178.83 178.71 1a0f h ASP 193 N 0.20 0.58 -0.45 1.46 3.32 -0.83 0.71 116.42 121.42 1a0f h ASP 193 Ca 0.03 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1a0f h ASP 193 Cb 0.79 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1a0f h ASP 193 CO 0.06 0.46 0.17 0.00 -1.72 0.00 0.00 179.24 178.20 1a0f h ALA 194 N 1.15 0.58 -0.18 3.45 0.00 -1.36 -0.68 119.26 122.22 1a0f h ALA 194 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1a0f h ALA 194 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1a0f h ALA 194 CO -0.03 0.20 0.12 -0.07 0.00 0.00 0.00 179.25 179.46 1a0f h LEU 195 N 0.58 0.21 0.03 0.00 3.38 0.27 -2.59 115.31 117.19 1a0f h LEU 195 Ca 0.15 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1a0f h LEU 195 Cb 0.21 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1a0f h LEU 195 CO -0.01 0.16 -0.13 0.28 0.09 0.00 0.00 178.44 178.83 1a0f h SER 196 N 0.24 -0.36 -0.62 -0.43 0.02 -0.79 0.89 113.55 112.50 1a0f h SER 196 Ca 0.06 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.24 1a0f h SER 196 Cb -0.02 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1a0f h SER 196 CO -0.01 -0.18 0.47 0.00 -1.14 0.00 0.00 176.83 175.97 1a0f h ALA 197 N 0.70 2.53 -0.00 3.77 0.00 -0.97 0.38 119.26 125.67 1a0f h ALA 197 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a0f h ALA 197 Cb 0.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a0f h ALA 197 CO -0.10 -0.79 -0.53 0.39 0.00 0.00 0.00 179.25 178.22 1a0f n GLU 198 N -4.21 0.15 -1.90 0.00 1.02 -0.99 -4.94 120.64 109.77 1a0f n GLU 198 Ca 0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1a0f n GLU 198 Cb 0.72 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1a0f n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a0f n GLY 199 N 1.47 0.38 4.01 0.62 0.00 0.13 -4.82 105.19 106.98 1a0f n GLY 199 Ca 0.06 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1a0f n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a0f s LEU 200 N 0.00 3.05 0.00 0.99 1.43 0.26 -5.01 118.68 119.40 1a0f s LEU 200 Ca 0.00 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1a0f s LEU 200 Cb 0.00 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1a0f s LEU 200 CO 0.00 -1.64 0.29 0.29 0.23 0.00 0.00 176.35 175.52