#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkf s ASP -6 N 0.00 6.44 -0.14 4.31 3.68 -0.45 -4.81 116.67 125.69 2pkf s ASP -6 Ca 0.00 0.05 0.10 0.00 2.13 0.00 0.00 52.55 54.82 2pkf s ASP -6 Cb 0.00 -2.53 -0.16 0.00 -1.45 0.00 0.00 42.92 38.78 2pkf s ASP -6 CO 0.00 -1.43 -0.00 0.18 0.13 0.00 0.00 175.17 174.05 2pkf n LEU -5 N 8.26 0.73 -0.23 -1.34 4.77 -1.26 -4.50 117.00 123.43 2pkf n LEU -5 Ca 0.08 -0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.13 2pkf n LEU -5 Cb 0.49 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2pkf n LEU -5 CO 0.70 0.45 0.12 -1.22 -1.33 0.00 0.00 177.39 176.11 2pkf n TYR -4 N -2.63 0.00 -2.54 -1.77 4.01 -1.26 -4.51 117.16 108.46 2pkf n TYR -4 Ca -0.24 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.42 2pkf n TYR -4 Cb 0.92 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.99 2pkf n TYR -4 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2pkf n PHE -3 N -0.79 1.68 -2.00 -0.72 3.72 -1.26 -5.10 117.46 112.99 2pkf n PHE -3 Ca 0.06 -2.10 -0.33 0.00 -0.05 0.00 0.00 57.45 55.03 2pkf n PHE -3 Cb 0.38 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.68 2pkf n PHE -3 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2pkf s GLN -2 N -3.61 3.14 0.67 -1.08 -2.07 -1.26 -4.91 119.66 110.54 2pkf s GLN -2 Ca 0.35 1.38 -0.16 0.00 -1.82 0.00 0.00 55.36 55.12 2pkf s GLN -2 Cb 0.35 -2.00 0.01 0.00 -1.09 0.00 0.00 33.01 30.28 2pkf s GLN -2 CO -0.02 -0.98 1.16 -1.54 -1.32 0.00 0.00 175.29 172.59 2pkf s SER -1 N -2.42 4.78 -0.20 12.60 1.04 0.31 -5.00 113.70 124.80 2pkf s SER -1 Ca 0.67 2.20 0.07 0.00 0.48 0.00 0.00 55.95 59.37 2pkf s SER -1 Cb -0.20 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.18 2pkf s SER -1 CO 0.35 -1.86 -0.10 1.57 0.98 0.00 0.00 173.24 174.18 2pkf n HIS 0 N -2.37 0.00 -2.74 5.02 -0.00 -1.26 -4.80 115.22 109.08 2pkf n HIS 0 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.82 2pkf n HIS 0 Cb 0.51 -0.85 0.09 0.00 -0.00 0.00 0.00 29.99 29.75 2pkf n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2pkf n MET 1 N -2.96 1.48 -2.87 1.57 0.00 -1.26 -4.89 117.12 108.19 2pkf n MET 1 Ca -0.35 -2.26 -0.41 0.00 0.00 0.00 0.00 57.70 54.68 2pkf n MET 1 Cb 0.97 -0.48 -0.04 0.00 0.00 0.00 0.00 33.22 33.66 2pkf n MET 1 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2pkf s THR 2 N -1.56 4.93 -0.26 3.17 2.01 -1.26 -4.40 115.64 118.27 2pkf s THR 2 Ca 0.18 1.74 -0.14 0.00 0.31 0.00 0.00 61.69 63.79 2pkf s THR 2 Cb 0.40 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2pkf s THR 2 CO -0.08 0.15 0.31 -0.63 -0.69 0.00 0.00 174.62 173.68 2pkf s ILE 3 N 1.26 5.23 -0.26 1.82 1.01 -0.41 -0.24 121.20 129.61 2pkf s ILE 3 Ca 0.43 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 2pkf s ILE 3 Cb -0.19 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2pkf s ILE 3 CO 0.20 0.21 0.36 0.00 0.00 0.00 0.00 174.94 175.71 2pkf s ALA 4 N 1.80 3.56 -0.35 9.38 0.00 0.15 -1.42 121.76 134.89 2pkf s ALA 4 Ca 0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 2pkf s ALA 4 Cb -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2pkf s ALA 4 CO 0.09 -0.59 0.22 0.08 0.00 0.00 0.00 175.76 175.56 2pkf s VAL 5 N 1.92 4.96 0.05 0.00 1.01 0.60 -0.87 120.40 128.07 2pkf s VAL 5 Ca 0.15 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2pkf s VAL 5 Cb -0.16 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2pkf s VAL 5 CO 0.09 -0.10 0.13 0.42 0.00 0.00 0.00 175.10 175.65 2pkf s THR 6 N 1.65 4.96 -5.00 3.92 -4.23 -0.12 -0.56 115.64 116.26 2pkf s THR 6 Ca 0.05 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 2pkf s THR 6 Cb -0.18 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.29 2pkf s THR 6 CO 0.09 0.20 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 2pkf n GLY 7 N 0.59 -0.36 3.77 3.99 0.00 -1.24 -1.03 105.19 110.91 2pkf n GLY 7 Ca -0.08 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 2pkf n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pkf s SER 8 N -2.90 7.24 -0.23 1.61 1.04 0.03 -4.54 113.70 115.95 2pkf s SER 8 Ca 0.00 2.04 0.01 0.00 0.48 0.00 0.00 55.95 58.48 2pkf s SER 8 Cb 0.00 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2pkf s SER 8 CO 0.00 -0.14 -0.12 -0.63 0.98 0.00 0.00 173.24 173.33 2pkf s ILE 9 N -1.39 2.39 0.29 -1.02 1.01 -1.26 -1.27 121.20 119.94 2pkf s ILE 9 Ca 0.48 -1.23 0.01 0.00 0.00 0.00 0.00 60.65 59.91 2pkf s ILE 9 Cb -0.25 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2pkf s ILE 9 CO 0.32 0.21 0.31 0.00 0.00 0.00 0.00 174.94 175.77 2pkf s ALA 10 N 1.23 1.20 0.17 9.38 0.00 -0.72 -3.89 121.76 129.12 2pkf s ALA 10 Ca -0.02 -1.72 0.07 0.00 0.00 0.00 0.00 51.96 50.29 2pkf s ALA 10 Cb -0.17 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.24 2pkf s ALA 10 CO -0.07 -0.69 -0.15 0.95 0.00 0.00 0.00 175.76 175.80 2pkf s THR 11 N -3.60 1.57 -0.15 0.00 -4.23 -0.82 -0.55 115.64 107.86 2pkf s THR 11 Ca 0.36 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 2pkf s THR 11 Cb 0.03 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 72.04 2pkf s THR 11 CO 0.20 -0.50 -0.20 -1.81 -0.54 0.00 0.00 174.62 171.77 2pkf s ASP 12 N -2.91 3.25 -0.31 3.99 1.01 -0.04 -1.40 116.67 120.25 2pkf s ASP 12 Ca 0.16 -0.58 -0.02 0.00 0.71 0.00 0.00 52.55 52.82 2pkf s ASP 12 Cb -0.03 -1.48 0.05 0.00 1.01 0.00 0.00 42.92 42.48 2pkf s ASP 12 CO 0.05 0.07 0.03 -1.00 0.21 0.00 0.00 175.17 174.53 2pkf s HIS 13 N 0.90 3.30 -0.19 4.23 3.76 0.35 -0.76 115.29 126.89 2pkf s HIS 13 Ca -0.04 -1.88 -0.02 0.00 -0.15 0.00 0.00 55.06 52.96 2pkf s HIS 13 Cb -0.15 -2.24 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 2pkf s HIS 13 CO -0.03 -0.81 -0.09 -0.51 -0.85 0.00 0.00 174.74 172.44 2pkf s LEU 14 N 1.26 2.74 0.12 0.89 1.43 0.43 -1.20 118.68 124.34 2pkf s LEU 14 Ca -0.03 -0.41 0.10 0.00 -1.03 0.00 0.00 54.13 52.75 2pkf s LEU 14 Cb -0.20 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2pkf s LEU 14 CO -0.01 0.04 -0.24 -0.04 0.23 0.00 0.00 176.35 176.33 2pkf s MET 15 N 1.13 1.27 -0.15 1.70 -1.94 0.07 -0.64 119.30 120.75 2pkf s MET 15 Ca 0.01 -1.26 -0.01 0.00 -1.71 0.00 0.00 55.69 52.72 2pkf s MET 15 Cb -0.14 -1.66 -0.01 0.00 2.01 0.00 0.00 34.83 35.02 2pkf s MET 15 CO -0.02 0.39 -0.11 0.50 -0.01 0.00 0.00 175.02 175.76 2pkf s ARG 16 N -1.99 3.39 -0.30 2.03 3.52 -1.02 -1.46 118.95 123.11 2pkf s ARG 16 Ca 0.10 -0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 54.94 2pkf s ARG 16 Cb -0.10 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.58 2pkf s ARG 16 CO 0.05 0.14 0.14 0.12 -0.81 0.00 0.00 175.30 174.95 2pkf s PHE 17 N 0.54 3.17 0.13 5.12 5.36 0.09 -1.50 117.98 130.88 2pkf s PHE 17 Ca -0.08 -0.54 0.34 0.00 -0.96 0.00 0.00 56.93 55.68 2pkf s PHE 17 Cb -0.15 -2.34 1.61 0.00 -0.34 0.00 0.00 43.02 41.80 2pkf s PHE 17 CO 0.04 -0.44 2.01 -1.00 -1.46 0.00 0.00 175.22 174.37 2pkf h PRO 18 N 8.33 0.00 0.00 10.12 0.13 -1.86 -3.19 132.00 145.54 2pkf h PRO 18 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2pkf h PRO 18 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2pkf h PRO 18 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2pkf n GLY 19 N -0.53 2.08 3.43 1.56 0.00 -1.26 -4.51 105.19 105.95 2pkf n GLY 19 Ca -0.01 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2pkf n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pkf s ARG 20 N 3.53 3.53 0.51 1.61 0.52 -1.26 -1.72 118.95 125.67 2pkf s ARG 20 Ca 0.00 -0.60 0.22 0.00 -0.52 0.00 0.00 55.73 54.83 2pkf s ARG 20 Cb 0.00 -2.82 1.31 0.00 0.52 0.00 0.00 34.95 33.96 2pkf s ARG 20 CO 0.00 0.17 2.02 0.74 0.02 0.00 0.00 175.30 178.25 2pkf h PHE 21 N 6.89 0.07 -0.15 -0.53 0.04 -1.96 -2.09 116.94 119.22 2pkf h PHE 21 Ca -0.30 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.51 2pkf h PHE 21 Cb 1.20 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2pkf h PHE 21 CO 0.53 0.03 0.12 0.66 -0.60 0.00 0.00 178.31 179.06 2pkf h SER 22 N 0.07 0.00 -0.74 2.17 4.64 -1.97 -1.71 113.55 116.00 2pkf h SER 22 Ca 0.21 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.59 2pkf h SER 22 Cb 0.74 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.77 2pkf h SER 22 CO -0.02 0.00 0.43 -0.08 -0.87 0.00 0.00 176.83 176.29 2pkf h GLU 23 N 0.00 0.75 0.00 4.77 4.81 -1.80 0.05 114.58 123.16 2pkf h GLU 23 Ca 0.07 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.06 2pkf h GLU 23 Cb 0.32 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2pkf h GLU 23 CO -0.00 0.50 -1.31 1.96 -0.73 0.00 0.00 179.01 179.42 2pkf h GLN 24 N 0.78 0.00 -0.12 1.92 4.20 -1.64 -3.39 115.11 116.86 2pkf h GLN 24 Ca 0.33 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.83 2pkf h GLN 24 Cb 0.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2pkf h GLN 24 CO -0.19 0.46 -0.80 -0.07 -0.67 0.00 0.00 178.83 177.56 2pkf h LEU 25 N 0.00 0.82 -0.19 1.46 3.38 -0.88 -3.24 115.31 116.66 2pkf h LEU 25 Ca -0.16 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.28 2pkf h LEU 25 Cb 1.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2pkf h LEU 25 CO 0.07 1.34 0.08 -0.07 0.09 0.00 0.00 178.44 179.94 2pkf h LEU 26 N 0.45 0.10 0.00 1.67 3.38 -1.19 -2.17 115.31 117.56 2pkf h LEU 26 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pkf h LEU 26 Cb 1.42 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2pkf h LEU 26 CO 0.16 0.09 0.00 -0.81 0.09 0.00 0.00 178.44 177.96 2pkf n PRO 27 N -5.03 0.98 -2.56 1.13 -0.04 -1.25 -4.93 135.00 123.29 2pkf n PRO 27 Ca -0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.11 2pkf n PRO 27 Cb 0.06 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 2pkf n PRO 27 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2pkf s GLU 28 N -2.00 4.04 -0.50 0.54 2.56 -0.82 -5.03 118.70 117.49 2pkf s GLU 28 Ca 0.34 1.05 -0.19 0.00 0.00 0.00 0.00 54.97 56.16 2pkf s GLU 28 Cb 0.16 -2.15 0.06 0.00 2.00 0.00 0.00 34.13 34.19 2pkf s GLU 28 CO 0.26 -0.20 0.63 -3.38 -0.56 0.00 0.00 175.26 172.01 2pkf s HIS 29 N -2.41 3.05 0.22 5.30 -3.43 -1.26 -4.96 115.29 111.80 2pkf s HIS 29 Ca 0.61 -0.50 0.36 0.00 -0.80 0.00 0.00 55.06 54.73 2pkf s HIS 29 Cb -0.10 -3.53 1.68 0.00 -1.43 0.00 0.00 32.58 29.21 2pkf s HIS 29 CO 0.23 -1.03 2.08 -0.07 -2.00 0.00 0.00 174.74 173.96 2pkf h LEU 30 N 9.72 0.00 -0.01 5.38 3.38 -1.95 -2.42 115.31 129.40 2pkf h LEU 30 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2pkf h LEU 30 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2pkf h LEU 30 CO 0.96 0.00 -0.02 1.41 0.09 0.00 0.00 178.44 180.88 2pkf n HIS 31 N -2.97 0.00 -3.05 1.13 8.25 -1.26 -4.26 115.22 113.06 2pkf n HIS 31 Ca -0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.41 2pkf n HIS 31 Cb 0.21 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 2pkf n HIS 31 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2pkf s LYS 32 N -2.83 0.92 0.64 -0.41 2.20 -0.91 -5.16 119.74 114.19 2pkf s LYS 32 Ca 0.20 -0.74 -0.14 0.00 -0.36 0.00 0.00 55.97 54.93 2pkf s LYS 32 Cb 0.19 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 2pkf s LYS 32 CO 0.51 -1.26 1.07 0.14 -0.36 0.00 0.00 175.35 175.45 2pkf s VAL 33 N 1.32 3.78 -0.36 4.02 -7.23 -1.22 -4.78 120.40 115.94 2pkf s VAL 33 Ca 0.23 0.74 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 2pkf s VAL 33 Cb -0.03 -3.32 0.14 0.00 0.56 0.00 0.00 36.38 33.72 2pkf s VAL 33 CO -0.06 -0.59 0.21 -0.55 -0.31 0.00 0.00 175.10 173.80 2pkf s SER 34 N -3.09 3.04 -0.11 4.85 0.15 -1.26 -5.12 113.70 112.17 2pkf s SER 34 Ca 0.62 -2.19 -0.01 0.00 0.70 0.00 0.00 55.95 55.07 2pkf s SER 34 Cb -0.16 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 2pkf s SER 34 CO 0.44 -0.31 -0.08 -0.76 1.20 0.00 0.00 173.24 173.72 2pkf s LEU 35 N 1.05 3.02 -0.16 3.45 1.43 -1.26 -5.10 118.68 121.11 2pkf s LEU 35 Ca 0.18 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2pkf s LEU 35 Cb -0.23 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.37 2pkf s LEU 35 CO -0.00 0.24 0.13 -0.94 0.23 0.00 0.00 176.35 176.01 2pkf s SER 36 N -0.09 1.80 -0.23 2.29 1.04 -1.26 -5.13 113.70 112.12 2pkf s SER 36 Ca 0.00 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 2pkf s SER 36 Cb -0.13 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 2pkf s SER 36 CO 0.03 -0.32 0.01 -0.36 0.98 0.00 0.00 173.24 173.58 2pkf s PHE 37 N 2.21 3.02 -0.50 5.02 0.08 -1.26 -5.06 117.98 121.50 2pkf s PHE 37 Ca 0.04 -0.66 -0.28 0.00 0.12 0.00 0.00 56.93 56.15 2pkf s PHE 37 Cb -0.15 -2.16 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2pkf s PHE 37 CO -0.09 -0.43 1.10 -1.17 -0.10 0.00 0.00 175.22 174.52 2pkf s LEU 38 N 1.50 3.70 0.34 -0.37 2.96 -1.26 -5.02 118.68 120.52 2pkf s LEU 38 Ca 0.06 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2pkf s LEU 38 Cb -0.15 -3.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 2pkf s LEU 38 CO 0.00 -1.25 0.49 0.68 -1.32 0.00 0.00 176.35 174.95 2pkf s VAL 39 N 4.38 4.40 -0.02 1.68 -7.23 -1.26 -4.55 120.40 117.81 2pkf s VAL 39 Ca 0.44 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.78 2pkf s VAL 39 Cb -0.08 -3.56 0.04 0.00 0.56 0.00 0.00 36.38 33.34 2pkf s VAL 39 CO 0.29 -0.26 0.87 -0.90 -0.31 0.00 0.00 175.10 174.79 2pkf n ASP 40 N -1.69 1.25 -3.61 4.85 5.75 -0.56 -5.01 116.55 117.53 2pkf n ASP 40 Ca -0.02 -1.84 -0.15 0.00 -0.01 0.00 0.00 54.79 52.77 2pkf n ASP 40 Cb 0.58 -0.08 -0.07 0.00 -1.03 0.00 0.00 41.12 40.52 2pkf n ASP 40 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2pkf s ASP 41 N -0.95 -0.70 -0.04 -1.12 2.15 -1.26 -4.97 116.67 109.78 2pkf s ASP 41 Ca 0.04 1.21 -0.01 0.00 0.43 0.00 0.00 52.55 54.22 2pkf s ASP 41 Cb 0.04 1.18 0.03 0.00 -0.30 0.00 0.00 42.92 43.87 2pkf s ASP 41 CO 0.00 -0.34 0.03 -0.22 -0.17 0.00 0.00 175.17 174.48 2pkf s LEU 42 N -0.06 0.58 -0.08 -1.34 2.96 -1.26 -2.44 118.68 117.04 2pkf s LEU 42 Ca -0.03 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2pkf s LEU 42 Cb -0.04 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.45 2pkf s LEU 42 CO 0.03 -0.19 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.94 2pkf s VAL 43 N 1.72 2.01 -0.12 1.68 1.01 0.19 -4.98 120.40 121.91 2pkf s VAL 43 Ca -0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2pkf s VAL 43 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2pkf s VAL 43 CO -0.03 0.55 -0.18 -0.04 0.00 0.00 0.00 175.10 175.40 2pkf s MET 44 N 0.10 3.21 -0.07 2.72 -1.94 -1.26 -0.43 119.30 121.63 2pkf s MET 44 Ca -0.11 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.14 2pkf s MET 44 Cb -0.16 -2.48 -0.00 0.00 2.01 0.00 0.00 34.83 34.20 2pkf s MET 44 CO 0.06 0.17 -0.23 -1.01 -0.01 0.00 0.00 175.02 174.01 2pkf s HIS 45 N 0.40 2.30 0.22 -0.03 3.76 0.06 -4.97 115.29 117.03 2pkf s HIS 45 Ca -0.14 -0.77 -0.30 0.00 -0.15 0.00 0.00 55.06 53.70 2pkf s HIS 45 Cb -0.17 -1.53 -0.09 0.00 1.11 0.00 0.00 32.58 31.91 2pkf s HIS 45 CO 0.06 -0.27 1.17 1.03 -0.85 0.00 0.00 174.74 175.88 2pkf s ARG 46 N 0.07 4.53 0.00 1.40 0.52 -1.26 -0.86 118.95 123.34 2pkf s ARG 46 Ca -0.09 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 2pkf s ARG 46 Cb -0.15 -3.22 0.00 0.00 0.52 0.00 0.00 34.95 32.11 2pkf s ARG 46 CO 0.05 -0.00 0.00 0.41 0.02 0.00 0.00 175.30 175.78 2pkf n GLY 47 N 1.81 3.43 0.00 -3.53 0.00 0.28 -4.37 105.19 102.81 2pkf n GLY 47 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2pkf n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pkf n GLY 48 N 0.00 -2.64 0.28 -0.02 0.00 -1.24 -1.76 105.19 99.81 2pkf n GLY 48 Ca 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 2pkf n GLY 48 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2pkf h VAL 49 N 0.00 1.24 -0.21 1.61 -1.51 -1.48 -0.97 116.25 114.93 2pkf h VAL 49 Ca 0.00 -1.02 -0.21 0.00 -1.23 0.00 0.00 66.70 64.25 2pkf h VAL 49 Cb 0.00 0.97 0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2pkf h VAL 49 CO 0.00 0.35 -0.68 0.00 -1.23 0.00 0.00 177.57 176.01 2pkf h ALA 50 N 1.30 0.39 -0.29 5.19 0.00 -1.47 -1.11 119.26 123.26 2pkf h ALA 50 Ca 0.12 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.50 2pkf h ALA 50 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2pkf h ALA 50 CO 0.02 0.69 0.11 0.78 0.00 0.00 0.00 179.25 180.85 2pkf h GLY 51 N 0.64 0.37 0.96 0.00 0.00 -1.53 0.03 103.07 103.55 2pkf h GLY 51 Ca -0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2pkf h GLY 51 CO 0.14 0.04 0.14 3.43 0.00 0.00 0.00 176.54 180.29 2pkf h ASN 52 N 0.24 0.30 -0.44 0.19 2.35 -1.08 -0.33 115.58 116.82 2pkf h ASN 52 Ca 0.13 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2pkf h ASN 52 Cb 0.09 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 2pkf h ASN 52 CO -0.13 0.28 0.00 0.24 -1.65 0.00 0.00 177.43 176.17 2pkf h MET 53 N 0.29 0.78 -0.46 0.81 2.86 -1.08 -2.25 114.93 115.88 2pkf h MET 53 Ca 0.09 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2pkf h MET 53 Cb 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2pkf h MET 53 CO -0.02 0.84 0.16 0.00 1.06 0.00 0.00 176.91 178.96 2pkf h ALA 54 N 0.91 0.60 -0.33 6.32 0.00 -0.89 -1.45 119.26 124.41 2pkf h ALA 54 Ca 0.12 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2pkf h ALA 54 Cb 0.49 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2pkf h ALA 54 CO 0.02 0.23 -0.18 0.35 0.00 0.00 0.00 179.25 179.67 2pkf h PHE 55 N 0.60 -0.44 -0.48 0.00 3.57 -0.97 -0.60 116.94 118.63 2pkf h PHE 55 Ca 0.15 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2pkf h PHE 55 Cb 0.23 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 2pkf h PHE 55 CO 0.01 -0.25 0.06 0.00 -2.23 0.00 0.00 178.31 175.89 2pkf h ALA 56 N 1.10 0.64 -0.68 2.41 0.00 -1.10 -0.44 119.26 121.18 2pkf h ALA 56 Ca 0.17 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2pkf h ALA 56 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2pkf h ALA 56 CO -0.41 0.39 0.32 0.82 0.00 0.00 0.00 179.25 180.38 2pkf h ILE 57 N 0.68 1.23 0.02 0.00 2.04 -0.99 -1.88 117.51 118.61 2pkf h ILE 57 Ca 0.14 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 2pkf h ILE 57 Cb 0.42 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2pkf h ILE 57 CO 0.01 0.27 -0.01 1.23 0.00 0.00 0.00 178.15 179.65 2pkf h GLY 58 N 0.95 -0.03 0.59 5.37 0.00 -0.76 -0.46 103.07 108.73 2pkf h GLY 58 Ca 0.23 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.68 2pkf h GLY 58 CO -0.03 -0.01 0.63 -2.08 0.00 0.00 0.00 176.54 175.05 2pkf h VAL 59 N -0.03 0.97 0.00 4.60 2.07 -0.87 -1.01 116.25 121.98 2pkf h VAL 59 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2pkf h VAL 59 Cb 0.03 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 2pkf h VAL 59 CO 0.00 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.96 2pkf n LEU 60 N -4.57 0.00 0.00 2.57 4.77 -0.73 -4.88 117.00 114.16 2pkf n LEU 60 Ca 0.17 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2pkf n LEU 60 Cb 0.30 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2pkf n LEU 60 CO 0.29 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2pkf n GLY 61 N 0.83 0.75 3.77 -0.72 0.00 -0.38 -4.72 105.19 104.71 2pkf n GLY 61 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2pkf n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pkf s GLY 62 N -1.94 1.63 -0.25 -0.02 0.00 -0.21 -5.01 107.32 101.52 2pkf s GLY 62 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.43 2pkf s GLY 62 CO 0.00 0.33 0.50 -0.54 0.00 0.00 0.00 173.10 173.39 2pkf s GLU 63 N -5.05 4.09 -0.11 2.90 0.41 -1.26 -4.51 118.70 115.16 2pkf s GLU 63 Ca 0.62 0.30 -0.11 0.00 -0.41 0.00 0.00 54.97 55.37 2pkf s GLU 63 Cb -0.16 -3.63 0.03 0.00 -1.78 0.00 0.00 34.13 28.59 2pkf s GLU 63 CO 0.55 -0.30 0.32 0.54 -0.49 0.00 0.00 175.26 175.88 2pkf s VAL 64 N 2.14 0.00 -0.10 2.63 0.11 -1.26 -1.28 120.40 122.64 2pkf s VAL 64 Ca 0.21 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.26 2pkf s VAL 64 Cb -0.16 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 2pkf s VAL 64 CO 0.09 -0.01 -0.16 0.00 -3.33 0.00 0.00 175.10 171.69 2pkf s ALA 65 N 0.10 1.73 -0.12 1.54 0.00 -0.50 -1.36 121.76 123.15 2pkf s ALA 65 Ca -0.01 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 2pkf s ALA 65 Cb -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 2pkf s ALA 65 CO 0.01 -0.00 0.74 -1.17 0.00 0.00 0.00 175.76 175.34 2pkf s LEU 66 N 0.85 4.24 -0.42 0.00 2.96 -0.27 -0.29 118.68 125.76 2pkf s LEU 66 Ca -0.09 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.98 2pkf s LEU 66 Cb -0.15 -3.12 0.13 0.00 0.50 0.00 0.00 46.19 43.54 2pkf s LEU 66 CO 0.00 -0.24 0.21 -0.69 -1.32 0.00 0.00 176.35 174.31 2pkf s VAL 67 N 1.45 1.31 0.38 1.68 1.01 0.28 -3.61 120.40 122.89 2pkf s VAL 67 Ca 0.37 -2.37 -0.12 0.00 0.00 0.00 0.00 61.98 59.86 2pkf s VAL 67 Cb -0.17 -1.93 0.05 0.00 0.00 0.00 0.00 36.38 34.33 2pkf s VAL 67 CO 0.15 -0.86 0.72 0.61 0.00 0.00 0.00 175.10 175.72 2pkf n GLY 68 N 3.75 1.19 3.49 4.51 0.00 -1.26 -3.71 105.19 113.16 2pkf n GLY 68 Ca 0.07 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2pkf n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkf s ALA 69 N -2.16 2.79 0.30 4.61 0.00 -1.26 -1.05 121.76 125.00 2pkf s ALA 69 Ca 0.18 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2pkf s ALA 69 Cb -0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 2pkf s ALA 69 CO 0.13 0.46 0.36 0.00 0.00 0.00 0.00 175.76 176.71 2pkf s ALA 70 N -0.42 1.03 0.57 0.00 0.00 0.14 -4.16 121.76 118.91 2pkf s ALA 70 Ca 0.05 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.47 2pkf s ALA 70 Cb -0.12 1.28 0.08 0.00 0.00 0.00 0.00 23.12 24.36 2pkf s ALA 70 CO 0.02 -0.73 0.77 0.20 0.00 0.00 0.00 175.76 176.03 2pkf s GLY 71 N -3.24 1.76 0.53 0.00 0.00 -1.26 -0.65 107.32 104.46 2pkf s GLY 71 Ca 0.34 -2.10 0.20 0.00 0.00 0.00 0.00 44.72 43.15 2pkf s GLY 71 CO 0.20 -1.69 2.10 0.00 0.00 0.00 0.00 173.10 173.71 2pkf h ALA 72 N 0.21 2.13 0.00 3.20 0.00 -1.75 -0.63 119.26 122.42 2pkf h ALA 72 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2pkf h ALA 72 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2pkf h ALA 72 CO 0.41 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 2pkf n ASP 73 N -4.44 0.00 0.10 0.00 5.75 -1.26 -2.54 116.55 114.17 2pkf n ASP 73 Ca 0.01 -0.29 0.11 0.00 -0.01 0.00 0.00 54.79 54.61 2pkf n ASP 73 Cb 0.26 -0.06 0.45 0.00 -1.03 0.00 0.00 41.12 40.74 2pkf n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2pkf n PHE 74 N -1.06 0.65 -0.22 2.11 7.35 -0.24 -4.26 117.46 121.78 2pkf n PHE 74 Ca 0.09 0.25 0.02 0.00 -0.76 0.00 0.00 57.45 57.05 2pkf n PHE 74 Cb 0.06 -0.91 0.10 0.00 0.35 0.00 0.00 39.48 39.08 2pkf n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pkf h ALA 75 N 2.32 0.59 -0.22 3.13 0.00 -1.72 0.28 119.26 123.64 2pkf h ALA 75 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2pkf h ALA 75 Cb 0.35 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pkf h ALA 75 CO 0.00 -0.41 -0.37 -0.44 0.00 0.00 0.00 179.25 178.02 2pkf h ASP 76 N 0.07 0.51 -0.40 0.00 3.32 -1.89 -2.08 116.42 115.95 2pkf h ASP 76 Ca 0.34 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 2pkf h ASP 76 Cb 0.56 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2pkf h ASP 76 CO -0.61 0.84 -0.13 0.22 -1.72 0.00 0.00 179.24 177.84 2pkf h TYR 77 N 0.41 0.91 -0.49 4.55 -0.00 -1.30 -1.75 116.97 119.31 2pkf h TYR 77 Ca 0.04 -0.21 0.08 0.00 -0.00 0.00 0.00 58.73 58.65 2pkf h TYR 77 Cb 0.84 -0.22 -0.07 0.00 -0.00 0.00 0.00 36.73 37.28 2pkf h TYR 77 CO 0.03 0.95 0.08 -0.09 -0.00 0.00 0.00 178.16 179.13 2pkf h ARG 78 N 0.62 0.21 -0.74 1.82 2.43 -0.32 -0.89 114.38 117.50 2pkf h ARG 78 Ca 0.10 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 2pkf h ARG 78 Cb 0.67 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2pkf h ARG 78 CO 0.05 0.14 0.26 -0.44 -1.51 0.00 0.00 179.97 178.47 2pkf h ASP 79 N 0.21 1.05 -0.49 -3.80 3.32 -1.15 -0.23 116.42 115.33 2pkf h ASP 79 Ca 0.24 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.16 2pkf h ASP 79 Cb 0.33 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2pkf h ASP 79 CO -0.33 0.95 0.25 -0.25 -1.72 0.00 0.00 179.24 178.14 2pkf h TRP 80 N 1.09 0.47 -0.19 4.55 2.91 -0.83 -2.12 115.95 121.83 2pkf h TRP 80 Ca 0.24 0.02 -0.16 0.00 1.13 0.00 0.00 58.89 60.13 2pkf h TRP 80 Cb 0.26 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 2pkf h TRP 80 CO 0.02 0.24 -0.49 -0.07 -1.03 0.00 0.00 178.44 177.11 2pkf h LEU 81 N 0.50 0.75 -1.53 0.65 3.38 -0.75 -3.10 115.31 115.21 2pkf h LEU 81 Ca 0.21 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2pkf h LEU 81 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2pkf h LEU 81 CO -0.14 1.20 0.32 0.11 0.09 0.00 0.00 178.44 180.02 2pkf h LYS 82 N 0.35 0.62 0.00 1.13 1.57 -0.95 -0.70 116.57 118.58 2pkf h LYS 82 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2pkf h LYS 82 Cb 1.11 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2pkf h LYS 82 CO 0.11 0.41 -0.00 0.00 -0.57 0.00 0.00 179.45 179.40 2pkf h ALA 83 N 1.70 1.00 -0.57 3.86 0.00 -1.30 -0.99 119.26 122.95 2pkf h ALA 83 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2pkf h ALA 83 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pkf h ALA 83 CO -0.04 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.75 2pkf n ARG 84 N -3.09 3.61 -0.76 0.00 3.00 -0.35 -4.96 116.66 114.11 2pkf n ARG 84 Ca -0.01 -2.81 0.00 0.00 -0.01 0.00 0.00 57.85 55.02 2pkf n ARG 84 Cb 0.21 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 30.83 2pkf n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pkf n GLY 85 N 0.87 0.59 3.68 -0.13 0.00 -0.38 -3.50 105.19 106.33 2pkf n GLY 85 Ca 0.24 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2pkf n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pkf s VAL 86 N -2.00 4.91 -0.19 1.61 1.01 -0.73 -4.59 120.40 120.41 2pkf s VAL 86 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.33 2pkf s VAL 86 Cb 0.00 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 2pkf s VAL 86 CO 0.00 0.09 1.18 0.21 0.00 0.00 0.00 175.10 176.57 2pkf s ASN 87 N 1.07 7.00 -0.15 3.32 3.84 -0.46 -3.95 114.94 125.61 2pkf s ASN 87 Ca 0.40 1.56 0.16 0.00 0.21 0.00 0.00 52.86 55.19 2pkf s ASN 87 Cb -0.17 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.45 2pkf s ASN 87 CO 0.15 -0.73 1.36 0.00 -2.79 0.00 0.00 177.10 175.08 2pkf h ASP 89 N 1.55 0.00 -0.27 0.00 3.32 -1.91 -2.64 116.42 116.47 2pkf h ASP 89 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pkf h ASP 89 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2pkf h ASP 89 CO 0.16 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 179.09 2pkf n HIS 90 N -3.87 0.78 -2.46 4.55 8.25 -1.26 -4.91 115.22 116.31 2pkf n HIS 90 Ca -0.03 -0.79 -0.42 0.00 -0.26 0.00 0.00 57.72 56.22 2pkf n HIS 90 Cb 0.08 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 2pkf n HIS 90 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pkf s VAL 91 N -2.37 4.24 -0.06 1.59 1.01 -1.00 -4.14 120.40 119.68 2pkf s VAL 91 Ca 0.37 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 2pkf s VAL 91 Cb 0.28 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2pkf s VAL 91 CO 0.10 0.01 0.99 -0.22 0.00 0.00 0.00 175.10 175.98 2pkf s LEU 92 N 2.08 4.30 -0.28 3.92 0.20 -0.21 -4.97 118.68 123.73 2pkf s LEU 92 Ca 0.56 1.58 -0.07 0.00 0.69 0.00 0.00 54.13 56.89 2pkf s LEU 92 Cb -0.25 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 41.95 2pkf s LEU 92 CO 0.23 -0.35 0.09 -0.63 -0.29 0.00 0.00 176.35 175.39 2pkf s ILE 93 N 1.53 4.18 0.46 6.68 -1.09 -1.26 -0.69 121.20 131.01 2pkf s ILE 93 Ca 0.50 -0.45 -0.24 0.00 -2.23 0.00 0.00 60.65 58.22 2pkf s ILE 93 Cb -0.20 -3.07 -0.08 0.00 -1.58 0.00 0.00 42.46 37.54 2pkf s ILE 93 CO 0.23 0.18 1.34 -0.55 -1.23 0.00 0.00 174.94 174.91 2pkf s SER 94 N 1.56 5.92 0.25 3.58 0.15 0.17 -4.93 113.70 120.40 2pkf s SER 94 Ca 0.04 2.73 0.25 0.00 0.70 0.00 0.00 55.95 59.68 2pkf s SER 94 Cb -0.16 -2.64 0.65 0.00 -1.71 0.00 0.00 66.02 62.16 2pkf s SER 94 CO 0.03 -1.13 1.68 -0.33 1.20 0.00 0.00 173.24 174.70 2pkf h GLU 95 N 2.22 0.00 0.00 5.44 5.08 -1.98 -3.38 114.58 121.97 2pkf h GLU 95 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2pkf h GLU 95 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2pkf h GLU 95 CO 0.61 0.00 -0.64 0.25 -1.00 0.00 0.00 179.01 178.22 2pkf n THR 96 N -2.43 0.00 -3.94 1.13 -2.24 -1.26 -5.06 114.28 100.48 2pkf n THR 96 Ca 0.05 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.55 2pkf n THR 96 Cb 0.45 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 2pkf n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkf s ALA 97 N -1.64 3.97 0.60 6.98 0.00 -1.26 -5.08 121.76 125.32 2pkf s ALA 97 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2pkf s ALA 97 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2pkf s ALA 97 CO 0.00 0.64 0.91 -1.01 0.00 0.00 0.00 175.76 176.30 2pkf s HIS 98 N -1.66 3.27 0.35 0.00 0.09 -1.26 -4.21 115.29 111.86 2pkf s HIS 98 Ca 0.34 0.68 -0.28 0.00 -0.00 0.00 0.00 55.06 55.81 2pkf s HIS 98 Cb -0.12 -2.75 -0.12 0.00 -0.00 0.00 0.00 32.58 29.59 2pkf s HIS 98 CO 0.28 -0.83 1.25 2.41 -0.00 0.00 0.00 174.74 177.85 2pkf n THR 99 N -2.61 2.07 -1.57 1.30 -1.04 -1.26 -0.83 114.28 110.34 2pkf n THR 99 Ca 0.05 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.15 2pkf n THR 99 Cb 0.57 -1.50 0.02 0.00 -1.82 0.00 0.00 70.33 67.60 2pkf n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pkf n ALA 100 N 0.24 -0.19 -3.50 2.41 0.00 -1.25 -4.78 120.51 113.44 2pkf n ALA 100 Ca 0.05 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 2pkf n ALA 100 Cb 0.36 -2.02 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 2pkf n ALA 100 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pkf s ARG 101 N -2.14 0.23 -0.19 0.00 3.52 -0.10 -1.95 118.95 118.32 2pkf s ARG 101 Ca 0.67 0.46 -0.07 0.00 -0.13 0.00 0.00 55.73 56.66 2pkf s ARG 101 Cb -0.51 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 32.81 2pkf s ARG 101 CO 0.54 -0.12 0.05 0.12 -0.81 0.00 0.00 175.30 175.09 2pkf s PHE 102 N 0.85 3.19 -0.07 5.12 5.36 -0.49 -0.49 117.98 131.44 2pkf s PHE 102 Ca -0.06 -0.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.89 2pkf s PHE 102 Cb -0.07 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.51 2pkf s PHE 102 CO -0.05 0.03 -0.20 0.99 -1.46 0.00 0.00 175.22 174.53 2pkf s THR 103 N 0.61 1.71 -0.05 0.12 2.01 -0.14 -0.49 115.64 119.41 2pkf s THR 103 Ca 0.03 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 2pkf s THR 103 Cb -0.13 -1.48 0.04 0.00 0.01 0.00 0.00 72.50 70.93 2pkf s THR 103 CO 0.02 0.48 0.10 0.00 -0.69 0.00 0.00 174.62 174.53 2pkf s THR 105 N 1.30 3.23 -0.08 0.00 2.01 -0.24 -0.75 115.64 121.12 2pkf s THR 105 Ca -0.07 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.38 2pkf s THR 105 Cb -0.12 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 2pkf s THR 105 CO -0.05 0.51 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.30 2pkf s THR 106 N 0.47 2.44 0.46 -0.82 2.01 -0.53 -1.23 115.64 118.44 2pkf s THR 106 Ca -0.08 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.05 2pkf s THR 106 Cb -0.15 -1.94 0.08 0.00 0.01 0.00 0.00 72.50 70.50 2pkf s THR 106 CO 0.04 0.56 0.63 -0.90 -0.69 0.00 0.00 174.62 174.26 2pkf n ASP 107 N 3.03 1.27 0.25 3.53 5.68 -0.38 -0.73 116.55 129.20 2pkf n ASP 107 Ca -0.18 -1.97 0.11 0.00 -0.50 0.00 0.00 54.79 52.25 2pkf n ASP 107 Cb 0.52 -0.37 0.67 0.00 -1.14 0.00 0.00 41.12 40.80 2pkf n ASP 107 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 2pkf h VAL 108 N -0.19 0.74 -0.68 2.12 3.04 -1.31 -1.49 116.25 118.47 2pkf h VAL 108 Ca -0.21 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2pkf h VAL 108 Cb 0.88 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 2pkf h VAL 108 CO 0.27 0.13 0.00 0.47 -1.01 0.00 0.00 177.57 177.43 2pkf n ASP 109 N -3.87 3.81 -0.67 3.17 8.00 -1.26 -4.94 116.55 120.79 2pkf n ASP 109 Ca -0.02 -2.06 -0.09 0.00 0.71 0.00 0.00 54.79 53.34 2pkf n ASP 109 Cb 0.23 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 2pkf n ASP 109 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2pkf n MET 110 N 1.46 -0.71 -1.92 -1.24 2.81 -0.56 -5.03 117.12 111.94 2pkf n MET 110 Ca 0.23 0.78 -0.36 0.00 -1.81 0.00 0.00 57.70 56.54 2pkf n MET 110 Cb 0.62 -4.67 0.04 0.00 -0.71 0.00 0.00 33.22 28.50 2pkf n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2pkf s ALA 111 N -2.27 2.48 -0.00 3.04 0.00 -1.26 -4.80 121.76 118.95 2pkf s ALA 111 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2pkf s ALA 111 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 2pkf s ALA 111 CO 0.00 -1.27 -0.01 -0.65 0.00 0.00 0.00 175.76 173.83 2pkf s GLN 112 N -3.46 0.08 -0.12 0.00 -0.21 -1.26 -1.25 119.66 113.44 2pkf s GLN 112 Ca 0.76 -0.03 -0.00 0.00 0.02 0.00 0.00 55.36 56.11 2pkf s GLN 112 Cb -0.30 -0.08 0.03 0.00 1.00 0.00 0.00 33.01 33.66 2pkf s GLN 112 CO 0.35 0.02 -0.08 0.42 -2.12 0.00 0.00 175.29 173.88 2pkf s ILE 113 N -0.01 1.06 0.12 1.08 1.01 -0.37 -4.99 121.20 119.09 2pkf s ILE 113 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2pkf s ILE 113 Cb -0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2pkf s ILE 113 CO -0.00 0.36 -0.10 0.00 0.00 0.00 0.00 174.94 175.20 2pkf s ALA 114 N 1.69 1.24 0.07 9.38 0.00 -1.26 -1.08 121.76 131.80 2pkf s ALA 114 Ca 0.05 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2pkf s ALA 114 Cb -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 2pkf s ALA 114 CO -0.08 -0.06 -0.11 -1.54 0.00 0.00 0.00 175.76 173.96 2pkf s SER 115 N -2.73 1.35 -0.16 0.00 1.04 0.73 -4.98 113.70 108.95 2pkf s SER 115 Ca 0.10 -0.62 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2pkf s SER 115 Cb -0.01 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.13 2pkf s SER 115 CO 0.00 -0.15 -0.14 -0.36 0.98 0.00 0.00 173.24 173.56 2pkf s PHE 116 N -1.50 2.31 -0.36 5.02 0.40 -1.26 -0.97 117.98 121.63 2pkf s PHE 116 Ca -0.04 -1.36 -0.04 0.00 -0.60 0.00 0.00 56.93 54.90 2pkf s PHE 116 Cb -0.09 -1.66 0.07 0.00 0.51 0.00 0.00 43.02 41.86 2pkf s PHE 116 CO 0.01 -0.71 0.12 -0.47 0.70 0.00 0.00 175.22 174.87 2pkf s TYR 117 N 1.44 3.38 0.30 0.36 5.04 0.36 -5.00 117.35 123.23 2pkf s TYR 117 Ca 0.04 -1.92 0.08 0.00 -2.44 0.00 0.00 57.07 52.83 2pkf s TYR 117 Cb -0.13 -2.60 0.47 0.00 0.35 0.00 0.00 41.96 40.05 2pkf s TYR 117 CO -0.11 -0.85 1.70 -1.00 -1.34 0.00 0.00 175.55 173.95 2pkf h PRO 118 N 8.10 0.14 0.00 4.97 0.13 -1.94 -0.24 132.00 143.17 2pkf h PRO 118 Ca -0.19 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2pkf h PRO 118 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2pkf h PRO 118 CO 0.62 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 2pkf n GLY 119 N -0.12 3.04 0.23 1.56 0.00 -1.26 -1.28 105.19 107.35 2pkf n GLY 119 Ca -0.02 0.04 0.16 0.00 0.00 0.00 0.00 46.02 46.20 2pkf n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkf h ALA 120 N -0.43 1.00 -0.89 4.61 0.00 -1.22 -3.14 119.26 119.19 2pkf h ALA 120 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2pkf h ALA 120 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2pkf h ALA 120 CO 0.00 0.00 0.58 1.98 0.00 0.00 0.00 179.25 181.81 2pkf h MET 121 N 0.00 0.47 0.00 0.00 -1.53 -1.35 0.40 114.93 112.92 2pkf h MET 121 Ca 0.00 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.23 2pkf h MET 121 Cb 0.20 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.15 2pkf h MET 121 CO 0.00 0.31 0.00 0.77 0.14 0.00 0.00 176.91 178.13 2pkf h SER 122 N 0.49 0.00 0.15 1.39 0.02 -1.74 -1.82 113.55 112.05 2pkf h SER 122 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2pkf h SER 122 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2pkf h SER 122 CO -0.19 0.00 -0.09 -0.62 -1.14 0.00 0.00 176.83 174.79 2pkf n GLU 123 N -2.60 1.11 0.25 3.45 1.02 0.13 -3.84 120.64 120.17 2pkf n GLU 123 Ca -0.00 -0.53 0.13 0.00 -0.02 0.00 0.00 57.16 56.74 2pkf n GLU 123 Cb 0.15 -1.49 0.80 0.00 -0.02 0.00 0.00 31.44 30.88 2pkf n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pkf h ALA 124 N 3.94 1.79 0.00 0.62 0.00 -1.44 -0.31 119.26 123.86 2pkf h ALA 124 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pkf h ALA 124 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pkf h ALA 124 CO 0.00 -0.09 0.05 0.07 0.00 0.00 0.00 179.25 179.28 2pkf h ARG 125 N 0.00 0.00 -0.01 0.00 0.11 -1.80 -1.42 114.38 111.26 2pkf h ARG 125 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2pkf h ARG 125 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2pkf h ARG 125 CO -0.00 0.00 -0.32 0.09 0.10 0.00 0.00 179.97 179.84 2pkf n ASN 126 N -2.58 1.31 -4.73 0.08 3.02 -0.13 -4.90 115.26 107.33 2pkf n ASN 126 Ca -0.02 -1.07 -0.41 0.00 -0.03 0.00 0.00 54.58 53.05 2pkf n ASN 126 Cb 0.09 0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 2pkf n ASN 126 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pkf s ILE 127 N -2.49 3.90 -0.29 2.41 1.01 -0.54 -5.03 121.20 120.17 2pkf s ILE 127 Ca 0.23 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.35 2pkf s ILE 127 Cb 0.19 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2pkf s ILE 127 CO 0.54 0.22 0.09 -0.54 0.00 0.00 0.00 174.94 175.25 2pkf s LYS 128 N 0.04 3.21 0.58 2.79 -0.14 -1.26 -4.96 119.74 120.00 2pkf s LYS 128 Ca 0.52 -0.78 0.27 0.00 -1.36 0.00 0.00 55.97 54.62 2pkf s LYS 128 Cb -0.30 -3.41 1.72 0.00 -1.68 0.00 0.00 37.83 34.16 2pkf s LYS 128 CO 0.34 -0.41 2.22 -0.07 -0.76 0.00 0.00 175.35 176.67 2pkf h LEU 129 N 8.26 0.00 -1.59 3.17 3.38 -1.96 -1.33 115.31 125.23 2pkf h LEU 129 Ca -0.32 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.78 2pkf h LEU 129 Cb 1.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 2pkf h LEU 129 CO 0.60 0.00 0.47 0.00 0.09 0.00 0.00 178.44 179.61 2pkf h ALA 130 N 1.98 2.07 -0.25 1.53 0.00 -1.95 -0.72 119.26 121.93 2pkf h ALA 130 Ca 0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2pkf h ALA 130 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pkf h ALA 130 CO -0.00 -0.25 -0.30 -0.44 0.00 0.00 0.00 179.25 178.26 2pkf h ASP 131 N 0.43 0.51 -0.18 0.00 3.32 -1.66 -0.78 116.42 118.06 2pkf h ASP 131 Ca 0.34 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2pkf h ASP 131 Cb 0.74 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2pkf h ASP 131 CO -0.11 0.79 0.04 0.58 -1.72 0.00 0.00 179.24 178.83 2pkf h VAL 132 N 0.43 1.20 -0.90 -1.35 2.07 -1.24 -2.58 116.25 113.89 2pkf h VAL 132 Ca 0.06 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2pkf h VAL 132 Cb 0.74 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2pkf h VAL 132 CO 0.06 0.20 0.58 0.58 0.02 0.00 0.00 177.57 179.01 2pkf h VAL 133 N 0.09 1.23 -0.83 2.57 2.07 -1.02 -0.48 116.25 119.89 2pkf h VAL 133 Ca 0.05 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2pkf h VAL 133 Cb 0.27 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 2pkf h VAL 133 CO 0.00 0.23 0.55 -1.28 0.02 0.00 0.00 177.57 177.09 2pkf h SER 134 N 1.22 0.91 0.11 0.57 0.87 -1.07 0.69 113.55 116.84 2pkf h SER 134 Ca 0.33 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.71 2pkf h SER 134 Cb -0.12 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.64 2pkf h SER 134 CO -0.07 0.64 -0.68 0.00 -0.53 0.00 0.00 176.83 176.19 2pkf h ALA 135 N 1.51 -0.07 0.00 6.23 0.00 -0.93 -1.20 119.26 124.80 2pkf h ALA 135 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pkf h ALA 135 Cb -0.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pkf h ALA 135 CO -0.09 0.32 0.00 0.44 0.00 0.00 0.00 179.25 179.92 2pkf n ILE 136 N -4.20 0.25 0.00 0.00 -5.35 -0.27 -4.72 119.36 105.07 2pkf n ILE 136 Ca -0.13 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 2pkf n ILE 136 Cb 0.76 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.69 2pkf n ILE 136 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pkf n GLY 137 N -0.12 -1.28 3.70 3.28 0.00 0.23 -0.53 105.19 110.46 2pkf n GLY 137 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 2pkf n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkf s LYS 138 N -1.49 4.13 0.79 1.61 1.02 -1.26 -4.25 119.74 120.29 2pkf s LYS 138 Ca 0.00 2.61 -0.13 0.00 0.02 0.00 0.00 55.97 58.47 2pkf s LYS 138 Cb 0.00 -3.47 0.07 0.00 -0.52 0.00 0.00 37.83 33.91 2pkf s LYS 138 CO 0.00 -0.83 1.18 -2.14 -0.92 0.00 0.00 175.35 172.64 2pkf s PRO 139 N 2.38 1.80 0.33 -1.68 0.02 -1.26 -4.87 135.00 131.72 2pkf s PRO 139 Ca 0.80 1.64 0.06 0.00 0.02 0.00 0.00 61.00 63.52 2pkf s PRO 139 Cb -0.47 -1.81 0.57 0.00 0.02 0.00 0.00 34.50 32.81 2pkf s PRO 139 CO 0.36 -2.07 1.80 1.49 -0.33 0.00 0.00 177.00 178.24 2pkf h GLU 140 N -0.87 0.33 -2.27 5.54 4.81 -0.93 -3.44 114.58 117.76 2pkf h GLU 140 Ca -0.46 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 58.59 2pkf h GLU 140 Cb 1.28 -0.03 -0.22 0.00 0.63 0.00 0.00 28.75 30.42 2pkf h GLU 140 CO 0.47 0.55 0.01 -1.17 -0.73 0.00 0.00 179.01 178.14 2pkf s LEU 141 N -8.61 -0.31 -0.21 1.64 2.96 -1.17 -4.58 118.68 108.39 2pkf s LEU 141 Ca -0.06 1.10 -0.04 0.00 -0.22 0.00 0.00 54.13 54.91 2pkf s LEU 141 Cb 0.14 2.11 -0.01 0.00 0.50 0.00 0.00 46.19 48.93 2pkf s LEU 141 CO 0.76 -0.28 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.78 2pkf s VAL 142 N 0.03 3.41 -0.17 1.68 1.01 0.03 -0.68 120.40 125.71 2pkf s VAL 142 Ca -0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2pkf s VAL 142 Cb -0.04 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2pkf s VAL 142 CO 0.02 0.43 0.78 -0.63 0.00 0.00 0.00 175.10 175.70 2pkf s ILE 143 N 1.37 4.92 -1.05 2.22 1.01 -0.05 -0.64 121.20 128.97 2pkf s ILE 143 Ca 0.04 1.53 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 2pkf s ILE 143 Cb -0.14 -4.09 0.24 0.00 0.01 0.00 0.00 42.46 38.47 2pkf s ILE 143 CO -0.02 0.06 1.09 -0.63 0.00 0.00 0.00 174.94 175.44 2pkf s ILE 144 N 1.99 5.67 0.77 2.92 -1.09 0.44 -0.95 121.20 130.95 2pkf s ILE 144 Ca 0.36 -2.95 -0.10 0.00 -2.23 0.00 0.00 60.65 55.73 2pkf s ILE 144 Cb -0.16 -4.64 0.07 0.00 -1.58 0.00 0.00 42.46 36.14 2pkf s ILE 144 CO 0.12 -1.25 1.13 -0.83 -1.23 0.00 0.00 174.94 172.88 2pkf s GLY 145 N 1.93 1.62 0.26 6.18 0.00 -0.20 -1.46 107.32 115.65 2pkf s GLY 145 Ca 0.30 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 44.01 2pkf s GLY 145 CO -0.07 -0.25 1.22 0.00 0.00 0.00 0.00 173.10 173.99 2pkf n ALA 146 N -3.18 0.34 -3.56 3.20 0.00 -1.08 -4.44 120.51 111.79 2pkf n ALA 146 Ca 0.08 0.41 0.03 0.00 0.00 0.00 0.00 53.44 53.96 2pkf n ALA 146 Cb 0.61 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.93 2pkf n ALA 146 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pkf n ASN 147 N 1.61 -1.24 -4.67 0.00 2.85 -1.26 -0.79 115.26 111.76 2pkf n ASN 147 Ca 0.11 -1.73 -0.59 0.00 -0.11 0.00 0.00 54.58 52.25 2pkf n ASN 147 Cb 0.31 2.04 -0.08 0.00 1.24 0.00 0.00 39.78 43.29 2pkf n ASN 147 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2pkf n ASP 148 N -1.14 1.58 -0.28 1.20 2.03 -1.26 -4.84 116.55 113.84 2pkf n ASP 148 Ca -0.03 1.13 0.07 0.00 0.52 0.00 0.00 54.79 56.48 2pkf n ASP 148 Cb 0.38 -1.05 0.22 0.00 -0.72 0.00 0.00 41.12 39.95 2pkf n ASP 148 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pkf h PRO 149 N 5.49 0.51 -0.85 -0.67 0.11 -1.99 -1.62 132.00 132.99 2pkf h PRO 149 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2pkf h PRO 149 Cb 1.35 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2pkf h PRO 149 CO 0.88 0.34 0.41 1.49 -0.21 0.00 0.00 178.00 180.92 2pkf h GLU 150 N 0.53 1.22 -0.82 1.05 4.57 -1.98 -2.04 114.58 117.11 2pkf h GLU 150 Ca 0.45 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2pkf h GLU 150 Cb 0.69 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 2pkf h GLU 150 CO -0.40 0.93 0.50 0.00 -1.18 0.00 0.00 179.01 178.87 2pkf h ALA 151 N 1.24 1.04 -0.56 2.92 0.00 -1.67 0.31 119.26 122.54 2pkf h ALA 151 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2pkf h ALA 151 Cb 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2pkf h ALA 151 CO -0.04 0.49 0.34 0.52 0.00 0.00 0.00 179.25 180.56 2pkf h MET 152 N 1.12 0.65 0.04 0.00 2.86 -0.64 0.13 114.93 119.08 2pkf h MET 152 Ca 0.29 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2pkf h MET 152 Cb -0.06 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.45 2pkf h MET 152 CO -0.06 0.43 -0.02 0.35 1.06 0.00 0.00 176.91 178.68 2pkf h PHE 153 N 0.67 -0.04 -0.83 -0.22 3.57 -1.03 -2.35 116.94 116.70 2pkf h PHE 153 Ca 0.23 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 2pkf h PHE 153 Cb 0.03 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 2pkf h PHE 153 CO -0.06 0.21 0.45 -0.07 -2.23 0.00 0.00 178.31 176.61 2pkf h LEU 154 N -0.30 1.04 -0.67 0.59 3.38 -0.64 -0.87 115.31 117.84 2pkf h LEU 154 Ca -0.00 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2pkf h LEU 154 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2pkf h LEU 154 CO 0.01 0.85 0.23 0.45 0.09 0.00 0.00 178.44 180.07 2pkf h HIS 155 N 1.16 1.06 -0.20 1.13 3.86 -0.75 -0.19 115.15 121.22 2pkf h HIS 155 Ca 0.29 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2pkf h HIS 155 Cb 0.04 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2pkf h HIS 155 CO 0.01 0.85 0.09 1.15 0.86 0.00 0.00 177.93 180.88 2pkf h THR 156 N 0.97 1.14 -0.79 2.45 2.02 -0.99 -0.80 112.91 116.92 2pkf h THR 156 Ca 0.22 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 67.02 2pkf h THR 156 Cb 0.27 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2pkf h THR 156 CO -0.01 0.14 0.48 -0.33 0.37 0.00 0.00 175.52 176.17 2pkf h GLU 157 N 0.18 0.88 -0.33 6.66 4.39 -1.02 -1.60 114.58 123.75 2pkf h GLU 157 Ca 0.07 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 2pkf h GLU 157 Cb 0.14 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2pkf h GLU 157 CO -0.01 0.59 -0.28 1.49 -1.16 0.00 0.00 179.01 179.64 2pkf h GLU 158 N 0.91 0.68 -0.71 2.33 4.81 -0.78 -0.30 114.58 121.52 2pkf h GLU 158 Ca 0.33 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2pkf h GLU 158 Cb 0.11 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2pkf h GLU 158 CO -0.15 0.89 0.46 0.00 -0.73 0.00 0.00 179.01 179.48 2pkf h ARG 160 N 0.96 0.51 -0.43 0.00 3.08 -0.89 0.45 114.38 118.06 2pkf h ARG 160 Ca 0.26 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2pkf h ARG 160 Cb -0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2pkf h ARG 160 CO -0.05 0.47 0.26 -0.22 -1.07 0.00 0.00 179.97 179.35 2pkf h LYS 161 N 0.43 0.58 -0.00 0.04 3.64 -0.70 -3.09 116.57 117.46 2pkf h LYS 161 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2pkf h LYS 161 Cb 0.13 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2pkf h LYS 161 CO -0.01 0.43 -0.31 1.28 -2.27 0.00 0.00 179.45 178.57 2pkf n LEU 162 N -4.75 0.43 -2.22 5.20 4.77 0.28 -4.96 117.00 115.75 2pkf n LEU 162 Ca 0.01 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2pkf n LEU 162 Cb 0.05 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2pkf n LEU 162 CO 0.35 0.10 0.06 0.61 -1.33 0.00 0.00 177.39 177.18 2pkf n GLY 163 N 1.46 0.04 3.48 -0.72 0.00 -0.12 -5.04 105.19 104.28 2pkf n GLY 163 Ca 0.08 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2pkf n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkf s LEU 164 N -4.19 3.29 0.27 0.99 1.43 -0.04 -5.05 118.68 115.39 2pkf s LEU 164 Ca 0.00 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.64 2pkf s LEU 164 Cb -0.00 -1.82 -0.12 0.00 0.03 0.00 0.00 46.19 44.28 2pkf s LEU 164 CO 0.37 0.11 1.55 0.00 0.23 0.00 0.00 176.35 178.61 2pkf n ALA 165 N 3.93 2.15 -2.59 4.21 0.00 -1.26 -4.59 120.51 122.35 2pkf n ALA 165 Ca -0.17 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 2pkf n ALA 165 Cb 0.52 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 2pkf n ALA 165 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2pkf s PHE 166 N 0.06 0.91 -0.22 0.00 -0.12 -1.26 -0.79 117.98 116.56 2pkf s PHE 166 Ca 0.66 -0.62 -0.06 0.00 -0.05 0.00 0.00 56.93 56.86 2pkf s PHE 166 Cb -0.54 -0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 41.31 2pkf s PHE 166 CO 0.48 -0.05 0.02 0.00 -0.05 0.00 0.00 175.22 175.62 2pkf s ALA 167 N -2.12 3.03 -0.33 1.99 0.00 0.18 -0.50 121.76 124.01 2pkf s ALA 167 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2pkf s ALA 167 Cb -0.05 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.21 2pkf s ALA 167 CO -0.00 -0.34 1.19 0.00 0.00 0.00 0.00 175.76 176.61 2pkf s ALA 168 N 1.34 3.39 -0.43 0.00 0.00 0.28 -0.42 121.76 125.92 2pkf s ALA 168 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.07 2pkf s ALA 168 Cb -0.15 -3.75 0.34 0.00 0.00 0.00 0.00 23.12 19.56 2pkf s ALA 168 CO 0.01 -1.71 0.77 -3.47 0.00 0.00 0.00 175.76 171.36 2pkf n ASP 169 N 7.35 1.77 0.09 0.00 2.03 -0.53 -1.56 116.55 125.68 2pkf n ASP 169 Ca 0.13 -3.16 0.13 0.00 0.52 0.00 0.00 54.79 52.40 2pkf n ASP 169 Cb 0.47 -0.61 0.45 0.00 -0.72 0.00 0.00 41.12 40.72 2pkf n ASP 169 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pkf n PRO 170 N 0.26 0.19 0.00 -0.67 -0.04 -1.26 -2.64 135.00 130.84 2pkf n PRO 170 Ca 0.26 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2pkf n PRO 170 Cb 0.58 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2pkf n PRO 170 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pkf n SER 171 N -2.09 0.00 0.30 3.54 3.41 -1.26 -1.09 113.62 116.43 2pkf n SER 171 Ca 0.05 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.82 2pkf n SER 171 Cb 0.35 0.00 0.92 0.00 -0.26 0.00 0.00 64.21 65.23 2pkf n SER 171 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2pkf h GLN 172 N 0.00 0.00 0.00 4.33 1.08 -2.00 -2.06 115.11 116.46 2pkf h GLN 172 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2pkf h GLN 172 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2pkf h GLN 172 CO 0.00 0.04 0.00 1.96 -0.95 0.00 0.00 178.83 179.88 2pkf h GLN 173 N 0.00 0.00 0.00 1.46 1.08 -1.51 -1.91 115.11 114.24 2pkf h GLN 173 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2pkf h GLN 173 Cb 0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2pkf h GLN 173 CO 0.00 0.00 -0.05 -0.07 -0.95 0.00 0.00 178.83 177.76 2pkf h LEU 174 N 0.00 0.00 -1.45 1.46 3.38 -1.49 0.94 115.31 118.15 2pkf h LEU 174 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pkf h LEU 174 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pkf h LEU 174 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 2pkf n ALA 175 N -2.40 2.61 0.00 1.53 0.00 -0.72 -4.18 120.51 117.35 2pkf n ALA 175 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.76 2pkf n ALA 175 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2pkf n ALA 175 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2pkf n ARG 176 N 0.43 4.12 -2.87 0.00 3.00 -0.63 -5.09 116.66 115.61 2pkf n ARG 176 Ca 0.11 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.64 2pkf n ARG 176 Cb 0.38 -0.43 -0.07 0.00 0.00 0.00 0.00 32.46 32.34 2pkf n ARG 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2pkf s LEU 177 N -0.20 3.96 0.79 6.15 1.43 0.23 -5.07 118.68 125.96 2pkf s LEU 177 Ca 0.00 1.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.60 2pkf s LEU 177 Cb 0.00 -4.45 0.06 0.00 0.03 0.00 0.00 46.19 41.83 2pkf s LEU 177 CO 0.00 -0.33 1.10 -0.94 0.23 0.00 0.00 176.35 176.41 2pkf s SER 178 N -2.21 4.63 0.22 2.29 1.04 -1.26 -4.83 113.70 113.57 2pkf s SER 178 Ca 0.61 1.21 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 2pkf s SER 178 Cb -0.09 -1.93 0.34 0.00 0.10 0.00 0.00 66.02 64.43 2pkf s SER 178 CO 0.14 -1.87 1.71 1.23 0.98 0.00 0.00 173.24 175.43 2pkf h GLY 179 N -1.02 0.87 0.89 7.32 0.00 -1.96 0.17 103.07 109.34 2pkf h GLY 179 Ca -0.47 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 46.82 2pkf h GLY 179 CO 0.61 -0.11 0.24 0.83 0.00 0.00 0.00 176.54 178.11 2pkf h GLU 180 N 0.31 0.48 -0.60 4.80 5.08 -1.92 -0.40 114.58 122.32 2pkf h GLU 180 Ca 0.34 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2pkf h GLU 180 Cb 0.51 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2pkf h GLU 180 CO -0.40 0.32 0.18 0.93 -1.00 0.00 0.00 179.01 179.03 2pkf h GLU 181 N 0.49 0.94 -0.64 2.33 5.08 -1.78 -3.04 114.58 117.96 2pkf h GLU 181 Ca 0.17 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 2pkf h GLU 181 Cb 0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2pkf h GLU 181 CO -0.08 0.84 0.14 0.82 -1.00 0.00 0.00 179.01 179.73 2pkf h ILE 182 N 0.86 1.26 -0.31 3.13 2.04 -0.58 -2.76 117.51 121.14 2pkf h ILE 182 Ca 0.19 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 65.17 2pkf h ILE 182 Cb 0.30 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 2pkf h ILE 182 CO -0.01 0.36 0.22 0.03 0.00 0.00 0.00 178.15 178.76 2pkf h ARG 183 N 0.96 0.07 0.00 2.37 3.08 -0.97 -0.55 114.38 119.34 2pkf h ARG 183 Ca 0.20 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2pkf h ARG 183 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2pkf h ARG 183 CO 0.00 0.04 0.00 0.54 -1.07 0.00 0.00 179.97 179.49 2pkf n ARG 184 N -4.46 0.16 0.00 0.04 1.74 -1.04 -3.34 116.66 109.76 2pkf n ARG 184 Ca 0.04 0.34 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 2pkf n ARG 184 Cb 0.34 -1.78 0.21 0.00 -1.02 0.00 0.00 32.46 30.21 2pkf n ARG 184 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2pkf n LEU 185 N -2.08 1.01 -0.10 0.55 4.77 -0.21 -4.63 117.00 116.30 2pkf n LEU 185 Ca 0.03 -0.29 -0.17 0.00 -0.03 0.00 0.00 56.01 55.56 2pkf n LEU 185 Cb 0.26 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2pkf n LEU 185 CO 0.21 0.21 -1.17 0.52 -1.33 0.00 0.00 177.39 175.82 2pkf n VAL 186 N -0.95 1.14 -1.76 4.08 0.31 -1.21 -4.72 118.33 115.21 2pkf n VAL 186 Ca 0.08 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2pkf n VAL 186 Cb 0.36 -1.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.88 2pkf n VAL 186 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2pkf s ASN 187 N -6.22 6.46 0.00 4.52 2.47 -1.26 -1.88 114.94 119.03 2pkf s ASN 187 Ca -0.28 2.70 0.00 0.00 0.42 0.00 0.00 52.86 55.71 2pkf s ASN 187 Cb 0.08 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 2pkf s ASN 187 CO 0.43 -0.98 0.00 0.61 -3.72 0.00 0.00 177.10 173.44 2pkf n GLY 188 N 4.17 0.81 3.74 1.21 0.00 0.13 -5.03 105.19 110.22 2pkf n GLY 188 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2pkf n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkf s ALA 189 N -3.09 3.82 0.28 4.61 0.00 -0.79 -4.74 121.76 121.86 2pkf s ALA 189 Ca 0.00 1.59 0.05 0.00 0.00 0.00 0.00 51.96 53.59 2pkf s ALA 189 Cb 0.00 -3.67 0.42 0.00 0.00 0.00 0.00 23.12 19.87 2pkf s ALA 189 CO 0.00 -0.97 1.69 0.00 0.00 0.00 0.00 175.76 176.48 2pkf h ALA 190 N 5.52 1.08 -3.49 0.00 0.00 -1.15 -0.79 119.26 120.42 2pkf h ALA 190 Ca -0.46 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 53.84 2pkf h ALA 190 Cb 1.21 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.65 2pkf h ALA 190 CO 0.85 0.59 -0.68 0.71 0.00 0.00 0.00 179.25 180.72 2pkf s TYR 191 N -4.22 0.03 -0.19 0.00 2.02 -1.20 -2.62 117.35 111.15 2pkf s TYR 191 Ca -0.05 -0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2pkf s TYR 191 Cb 0.13 -0.03 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 2pkf s TYR 191 CO 0.78 -0.06 -0.17 -1.17 -1.57 0.00 0.00 175.55 173.36 2pkf s LEU 192 N -0.32 2.36 -0.14 -1.29 2.96 -0.22 -0.55 118.68 121.47 2pkf s LEU 192 Ca -0.04 -0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 53.14 2pkf s LEU 192 Cb -0.02 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2pkf s LEU 192 CO -0.00 -0.02 0.00 -0.36 -1.32 0.00 0.00 176.35 174.65 2pkf s PHE 193 N 1.30 3.14 0.29 5.38 0.08 -0.60 -0.42 117.98 127.14 2pkf s PHE 193 Ca 0.04 -0.03 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 2pkf s PHE 193 Cb -0.14 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 2pkf s PHE 193 CO -0.11 0.19 0.61 0.95 -0.10 0.00 0.00 175.22 176.77 2pkf s THR 194 N -0.07 0.00 0.80 0.64 -4.23 -0.79 -4.39 115.64 107.60 2pkf s THR 194 Ca 0.04 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.29 2pkf s THR 194 Cb -0.13 -2.29 0.16 0.00 1.34 0.00 0.00 72.50 71.58 2pkf s THR 194 CO 0.02 0.00 1.10 0.54 -0.54 0.00 0.00 174.62 175.74 2pkf s ASN 195 N -3.02 3.88 0.12 3.99 2.20 -1.26 -1.27 114.94 119.57 2pkf s ASN 195 Ca 0.18 -0.32 -0.14 0.00 -0.94 0.00 0.00 52.86 51.63 2pkf s ASN 195 Cb -0.03 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.30 2pkf s ASN 195 CO 0.10 -2.20 1.52 -2.24 -2.94 0.00 0.00 177.10 171.34 2pkf h ASP 196 N -0.88 0.74 -0.75 3.54 2.03 -1.45 -1.26 116.42 118.40 2pkf h ASP 196 Ca -0.37 -0.37 -0.03 0.00 -0.73 0.00 0.00 57.03 55.54 2pkf h ASP 196 Cb 1.25 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 39.51 2pkf h ASP 196 CO 0.36 0.94 0.36 0.22 -1.03 0.00 0.00 179.24 180.09 2pkf h TYR 197 N 0.53 1.08 -0.37 4.15 3.20 -1.96 -2.47 116.97 121.12 2pkf h TYR 197 Ca 0.09 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2pkf h TYR 197 Cb 0.62 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2pkf h TYR 197 CO 0.05 0.79 0.02 0.93 -1.64 0.00 0.00 178.16 178.31 2pkf h GLU 198 N 1.05 0.57 -0.10 1.82 5.08 -1.91 -0.53 114.58 120.57 2pkf h GLU 198 Ca 0.26 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2pkf h GLU 198 Cb 0.12 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2pkf h GLU 198 CO -0.03 0.58 0.05 2.35 -1.00 0.00 0.00 179.01 180.96 2pkf h TRP 199 N 0.55 0.14 -0.73 4.33 -0.00 -0.97 0.13 115.95 119.39 2pkf h TRP 199 Ca 0.12 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.03 2pkf h TRP 199 Cb 0.32 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.40 2pkf h TRP 199 CO 0.01 0.20 0.47 -0.44 -0.00 0.00 0.00 178.44 178.69 2pkf h ASP 200 N 0.04 0.79 -0.56 2.65 3.32 -1.04 -2.03 116.42 119.60 2pkf h ASP 200 Ca 0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 2pkf h ASP 200 Cb 0.11 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2pkf h ASP 200 CO -0.00 0.56 0.26 0.25 -1.72 0.00 0.00 179.24 178.58 2pkf h LEU 201 N 0.94 0.74 -0.40 1.55 5.85 -0.88 -0.86 115.31 122.24 2pkf h LEU 201 Ca 0.29 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2pkf h LEU 201 Cb -0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 2pkf h LEU 201 CO -0.09 0.67 0.15 0.25 -0.34 0.00 0.00 178.44 179.07 2pkf h LEU 202 N 0.76 0.16 -0.45 2.25 6.46 -0.34 -0.13 115.31 124.01 2pkf h LEU 202 Ca 0.19 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 2pkf h LEU 202 Cb 0.13 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2pkf h LEU 202 CO -0.02 0.13 0.13 -0.07 -0.62 0.00 0.00 178.44 177.99 2pkf h LEU 203 N 0.31 0.67 0.12 2.25 3.38 -1.11 -1.49 115.31 119.44 2pkf h LEU 203 Ca 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2pkf h LEU 203 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2pkf h LEU 203 CO -0.19 0.70 -0.06 -1.28 0.09 0.00 0.00 178.44 177.71 2pkf h SER 204 N 0.59 -0.14 -0.20 -0.43 0.87 -0.83 -1.75 113.55 111.66 2pkf h SER 204 Ca 0.14 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.51 2pkf h SER 204 Cb 0.28 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2pkf h SER 204 CO -0.00 -0.07 -0.52 0.11 -0.53 0.00 0.00 176.83 175.82 2pkf h LYS 205 N -0.20 0.78 0.00 2.24 1.57 -0.99 -3.08 116.57 116.90 2pkf h LYS 205 Ca -0.02 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.20 2pkf h LYS 205 Cb 0.16 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2pkf h LYS 205 CO 0.03 1.11 -0.39 1.79 -0.57 0.00 0.00 179.45 181.42 2pkf h THR 206 N 0.61 0.84 0.00 -0.16 1.35 -1.28 -3.35 112.91 110.92 2pkf h THR 206 Ca 0.02 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 2pkf h THR 206 Cb 1.10 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2pkf h THR 206 CO 0.11 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2pkf n GLY 207 N 0.47 0.56 3.84 5.82 0.00 -0.66 -4.94 105.19 110.28 2pkf n GLY 207 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2pkf n GLY 207 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2pkf s TRP 208 N -2.35 3.47 0.67 1.61 0.51 -1.17 -5.04 118.94 116.65 2pkf s TRP 208 Ca 0.00 1.27 -0.09 0.00 -2.12 0.00 0.00 56.10 55.16 2pkf s TRP 208 Cb 0.00 -2.56 0.02 0.00 -0.81 0.00 0.00 33.47 30.13 2pkf s TRP 208 CO 0.00 0.19 1.03 -1.54 -0.51 0.00 0.00 176.95 176.12 2pkf s SER 209 N -2.05 5.35 0.20 2.95 1.04 -1.26 -4.69 113.70 115.25 2pkf s SER 209 Ca 0.50 0.89 -0.11 0.00 0.48 0.00 0.00 55.95 57.71 2pkf s SER 209 Cb -0.13 -1.71 0.26 0.00 0.10 0.00 0.00 66.02 64.54 2pkf s SER 209 CO 0.19 -1.32 1.71 -0.08 0.98 0.00 0.00 173.24 174.72 2pkf h GLU 210 N -0.52 0.25 -0.97 4.02 4.81 -1.98 -1.70 114.58 118.49 2pkf h GLU 210 Ca -0.45 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 2pkf h GLU 210 Cb 1.27 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.52 2pkf h GLU 210 CO 0.63 0.17 0.62 0.00 -0.73 0.00 0.00 179.01 179.69 2pkf h ALA 211 N 1.45 1.37 -0.80 2.92 0.00 -1.98 0.54 119.26 122.74 2pkf h ALA 211 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2pkf h ALA 211 Cb 0.42 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2pkf h ALA 211 CO -0.38 0.36 0.50 -0.44 0.00 0.00 0.00 179.25 179.29 2pkf h ASP 212 N 1.09 0.95 -0.00 0.00 3.32 -1.70 -2.02 116.42 118.05 2pkf h ASP 212 Ca 0.43 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 2pkf h ASP 212 Cb 0.23 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.55 2pkf h ASP 212 CO -0.19 0.71 -0.32 0.58 -1.72 0.00 0.00 179.24 178.29 2pkf h VAL 213 N 1.10 1.52 -0.00 -1.35 2.07 -0.80 -3.30 116.25 115.48 2pkf h VAL 213 Ca 0.29 -1.96 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 2pkf h VAL 213 Cb -0.08 2.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2pkf h VAL 213 CO -0.06 0.54 -0.00 0.24 0.02 0.00 0.00 177.57 178.31 2pkf h MET 214 N -0.40 0.01 0.00 1.57 2.86 -0.77 -0.05 114.93 118.14 2pkf h MET 214 Ca -0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2pkf h MET 214 Cb 1.06 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2pkf h MET 214 CO 0.06 0.01 0.00 0.00 1.06 0.00 0.00 176.91 178.05 2pkf n ALA 215 N -2.54 1.64 0.51 6.32 0.00 -0.77 -3.13 120.51 122.53 2pkf n ALA 215 Ca -0.03 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2pkf n ALA 215 Cb 0.10 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.15 2pkf n ALA 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pkf n GLN 216 N -1.95 2.77 -4.33 0.00 6.02 -0.05 -5.02 117.38 114.82 2pkf n GLN 216 Ca 0.03 -0.01 -0.17 0.00 -0.01 0.00 0.00 57.00 56.83 2pkf n GLN 216 Cb 0.20 -1.09 -0.10 0.00 1.02 0.00 0.00 30.24 30.27 2pkf n GLN 216 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2pkf s ILE 217 N -2.21 1.36 -0.15 5.09 -4.36 -1.13 -0.69 121.20 119.11 2pkf s ILE 217 Ca 0.04 -2.10 0.20 0.00 -0.26 0.00 0.00 60.65 58.52 2pkf s ILE 217 Cb 0.09 -2.15 -0.13 0.00 1.25 0.00 0.00 42.46 41.51 2pkf s ILE 217 CO 0.49 -0.50 0.78 0.47 0.24 0.00 0.00 174.94 176.42 2pkf n ASP 218 N -0.38 0.63 -3.64 4.36 8.00 -0.30 -4.65 116.55 120.57 2pkf n ASP 218 Ca -0.07 0.26 -0.09 0.00 0.71 0.00 0.00 54.79 55.60 2pkf n ASP 218 Cb 0.62 0.66 -0.07 0.00 -0.02 0.00 0.00 41.12 42.31 2pkf n ASP 218 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2pkf s LEU 219 N -5.38 -0.74 -0.20 0.64 2.96 -1.08 -4.29 118.68 110.61 2pkf s LEU 219 Ca -0.04 1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 55.07 2pkf s LEU 219 Cb 0.10 2.24 -0.05 0.00 0.50 0.00 0.00 46.19 48.98 2pkf s LEU 219 CO 0.82 -0.21 0.11 -0.60 -1.32 0.00 0.00 176.35 175.15 2pkf s ARG 220 N 0.96 4.12 -0.22 1.98 3.52 0.05 -1.06 118.95 128.30 2pkf s ARG 220 Ca -0.04 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.31 2pkf s ARG 220 Cb -0.05 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 2pkf s ARG 220 CO -0.10 0.28 -0.14 0.08 -0.81 0.00 0.00 175.30 174.61 2pkf s VAL 221 N 0.39 2.03 -0.22 7.11 1.01 0.44 -0.24 120.40 130.91 2pkf s VAL 221 Ca 0.06 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.79 2pkf s VAL 221 Cb -0.11 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.29 2pkf s VAL 221 CO -0.01 0.21 -0.09 -0.89 0.00 0.00 0.00 175.10 174.32 2pkf s THR 222 N 1.22 1.70 0.35 3.92 2.01 0.10 -1.88 115.64 123.06 2pkf s THR 222 Ca -0.02 -1.19 -0.22 0.00 0.31 0.00 0.00 61.69 60.56 2pkf s THR 222 Cb -0.17 -1.85 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 2pkf s THR 222 CO -0.08 0.04 0.90 0.42 -0.69 0.00 0.00 174.62 175.20 2pkf s THR 223 N 1.34 4.37 -0.14 -0.82 -4.23 -0.40 -1.19 115.64 114.58 2pkf s THR 223 Ca -0.04 1.53 0.16 0.00 -1.18 0.00 0.00 61.69 62.17 2pkf s THR 223 Cb -0.18 -3.79 0.42 0.00 1.34 0.00 0.00 72.50 70.29 2pkf s THR 223 CO -0.07 -0.06 1.20 0.18 -0.54 0.00 0.00 174.62 175.33 2pkf n LEU 224 N 0.02 2.12 0.00 4.79 4.77 0.76 -1.13 117.00 128.34 2pkf n LEU 224 Ca 0.03 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.78 2pkf n LEU 224 Cb 0.52 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2pkf n LEU 224 CO 0.41 1.09 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 2pkf n GLY 225 N -0.53 3.56 0.06 -0.72 0.00 -1.26 -1.52 105.19 104.78 2pkf n GLY 225 Ca 0.15 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.36 2pkf n GLY 225 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pkf n PRO 226 N 14.00 0.09 0.00 1.61 -0.04 -1.26 -1.95 135.00 147.46 2pkf n PRO 226 Ca 0.00 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 2pkf n PRO 226 Cb 0.00 -1.67 0.62 0.00 -0.04 0.00 0.00 33.50 32.41 2pkf n PRO 226 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pkf n LYS 227 N -1.85 1.43 0.00 0.54 5.02 -0.57 -4.54 118.16 118.19 2pkf n LYS 227 Ca 0.03 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 2pkf n LYS 227 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2pkf n LYS 227 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pkf n GLY 228 N 1.15 0.97 3.29 0.72 0.00 -0.82 -4.65 105.19 105.85 2pkf n GLY 228 Ca 0.20 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2pkf n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pkf s VAL 229 N 0.00 0.00 -0.15 1.61 0.11 -0.21 -0.17 120.40 121.59 2pkf s VAL 229 Ca 0.00 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.98 2pkf s VAL 229 Cb 0.00 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2pkf s VAL 229 CO 0.00 -0.01 0.06 -1.81 -3.33 0.00 0.00 175.10 170.01 2pkf s ASP 230 N 0.17 5.64 -0.26 3.54 1.01 -0.33 -1.50 116.67 124.94 2pkf s ASP 230 Ca -0.00 0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.37 2pkf s ASP 230 Cb -0.03 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.04 2pkf s ASP 230 CO 0.01 0.25 -0.01 -0.76 0.21 0.00 0.00 175.17 174.86 2pkf s LEU 231 N -0.07 3.42 -0.17 1.23 1.43 0.50 -0.72 118.68 124.30 2pkf s LEU 231 Ca 0.06 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2pkf s LEU 231 Cb -0.12 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2pkf s LEU 231 CO 0.01 -0.15 -0.16 -0.69 0.23 0.00 0.00 176.35 175.59 2pkf s VAL 232 N 1.38 2.48 0.26 -1.59 1.01 0.66 -0.59 120.40 124.01 2pkf s VAL 232 Ca 0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2pkf s VAL 232 Cb -0.17 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2pkf s VAL 232 CO -0.02 0.51 0.51 -1.61 0.00 0.00 0.00 175.10 174.49 2pkf s GLU 233 N 1.12 3.61 0.19 2.72 2.02 0.10 -0.77 118.70 127.70 2pkf s GLU 233 Ca 0.01 -0.07 0.16 0.00 0.02 0.00 0.00 54.97 55.09 2pkf s GLU 233 Cb -0.14 -2.70 0.80 0.00 0.10 0.00 0.00 34.13 32.19 2pkf s GLU 233 CO -0.06 0.27 1.50 -0.35 0.02 0.00 0.00 175.26 176.64 2pkf n PRO 234 N -0.81 0.10 0.00 0.39 -0.04 -1.26 -1.69 135.00 131.69 2pkf n PRO 234 Ca -0.02 0.51 0.15 0.00 -0.04 0.00 0.00 63.50 64.10 2pkf n PRO 234 Cb 0.54 -1.78 0.84 0.00 -0.04 0.00 0.00 33.50 33.06 2pkf n PRO 234 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pkf n ASP 235 N -1.99 0.34 0.00 3.54 5.75 -1.26 -4.91 116.55 118.01 2pkf n ASP 235 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 2pkf n ASP 235 Cb 0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2pkf n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pkf n GLY 236 N 1.05 0.72 3.73 6.12 0.00 -0.68 -5.05 105.19 111.08 2pkf n GLY 236 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 2pkf n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pkf s THR 237 N -2.38 4.51 -0.09 2.61 2.01 -1.25 -4.91 115.64 116.14 2pkf s THR 237 Ca 0.00 2.05 0.03 0.00 0.31 0.00 0.00 61.69 64.08 2pkf s THR 237 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.21 2pkf s THR 237 CO 0.00 0.30 -0.20 -0.89 -0.69 0.00 0.00 174.62 173.13 2pkf s THR 238 N 0.10 1.79 -0.20 -0.82 2.01 -1.26 -0.72 115.64 116.55 2pkf s THR 238 Ca 0.48 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 2pkf s THR 238 Cb -0.23 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 2pkf s THR 238 CO 0.30 0.50 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.03 2pkf s ILE 239 N 0.47 3.28 -0.15 1.82 1.01 0.24 -4.97 121.20 122.90 2pkf s ILE 239 Ca -0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2pkf s ILE 239 Cb -0.17 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 2pkf s ILE 239 CO 0.07 0.45 -0.08 -2.28 0.00 0.00 0.00 174.94 173.10 2pkf s HIS 240 N 1.17 2.93 -0.09 3.97 2.46 -1.26 -0.37 115.29 124.09 2pkf s HIS 240 Ca 0.02 -0.51 0.03 0.00 0.47 0.00 0.00 55.06 55.07 2pkf s HIS 240 Cb -0.14 -1.93 0.01 0.00 -0.13 0.00 0.00 32.58 30.39 2pkf s HIS 240 CO -0.02 -0.16 -0.19 0.08 -2.47 0.00 0.00 174.74 171.98 2pkf s VAL 241 N 0.48 1.67 0.83 0.89 1.01 -0.56 -5.00 120.40 119.71 2pkf s VAL 241 Ca -0.06 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2pkf s VAL 241 Cb -0.15 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 34.84 2pkf s VAL 241 CO 0.03 0.47 1.14 -0.83 0.00 0.00 0.00 175.10 175.92 2pkf s GLY 242 N 0.59 1.60 0.85 4.51 0.00 -1.26 -1.04 107.32 112.56 2pkf s GLY 242 Ca -0.15 -0.50 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2pkf s GLY 242 CO 0.05 -0.01 1.09 -1.34 0.00 0.00 0.00 173.10 172.89 2pkf s VAL 243 N -3.38 2.90 -0.21 1.40 -7.23 -1.26 -4.84 120.40 107.78 2pkf s VAL 243 Ca 0.62 0.29 -0.24 0.00 -1.81 0.00 0.00 61.98 60.84 2pkf s VAL 243 Cb -0.13 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 2pkf s VAL 243 CO 0.52 -0.38 0.80 -0.69 -0.31 0.00 0.00 175.10 175.04 2pkf s VAL 244 N -2.97 4.87 0.23 1.32 1.01 -1.26 -5.00 120.40 118.61 2pkf s VAL 244 Ca 0.62 1.54 -0.32 0.00 0.00 0.00 0.00 61.98 63.82 2pkf s VAL 244 Cb -0.17 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 2pkf s VAL 244 CO 0.56 -0.02 1.49 -2.65 0.00 0.00 0.00 175.10 174.48 2pkf n PRO 245 N 5.65 2.19 -3.07 2.72 -0.02 -1.26 -4.84 135.00 136.37 2pkf n PRO 245 Ca 0.04 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 2pkf n PRO 245 Cb 0.48 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2pkf n PRO 245 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2pkf s GLU 246 N -0.08 3.62 -0.01 -0.52 1.03 -1.26 -5.00 118.70 116.48 2pkf s GLU 246 Ca 0.70 0.10 0.20 0.00 0.03 0.00 0.00 54.97 56.01 2pkf s GLU 246 Cb -0.63 -2.53 -0.25 0.00 -0.80 0.00 0.00 34.13 29.92 2pkf s GLU 246 CO 0.46 0.05 0.73 0.25 -1.33 0.00 0.00 175.26 175.41 2pkf n THR 247 N -1.47 0.00 -3.62 1.83 -2.24 -1.26 -4.98 114.28 102.54 2pkf n THR 247 Ca -0.01 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 2pkf n THR 247 Cb 0.55 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.39 2pkf n THR 247 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pkf s SER 248 N -3.40 -0.42 -1.01 3.42 1.04 -1.26 -5.06 113.70 107.00 2pkf s SER 248 Ca 0.03 0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 2pkf s SER 248 Cb 0.15 0.45 0.30 0.00 0.10 0.00 0.00 66.02 67.01 2pkf s SER 248 CO 0.84 -0.60 1.38 0.00 0.98 0.00 0.00 173.24 175.85 2pkf n GLN 249 N 0.84 4.21 -0.03 4.02 6.02 -1.26 -4.44 117.38 126.74 2pkf n GLN 249 Ca -0.20 -4.58 -0.13 0.00 -0.01 0.00 0.00 57.00 52.08 2pkf n GLN 249 Cb 0.58 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.27 2pkf n GLN 249 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2pkf h THR 250 N 3.35 1.46 -0.83 5.09 2.02 -1.71 -3.45 112.91 118.84 2pkf h THR 250 Ca 0.21 -1.45 0.12 0.00 0.77 0.00 0.00 66.41 66.05 2pkf h THR 250 Cb 0.61 2.37 -0.21 0.00 -1.74 0.00 0.00 68.15 69.19 2pkf h THR 250 CO 1.26 0.39 -0.19 -0.62 0.37 0.00 0.00 175.52 176.73 2pkf s ASP 251 N -5.93 -1.19 0.00 4.18 2.15 -0.39 -4.90 116.67 110.59 2pkf s ASP 251 Ca -0.16 0.65 0.11 0.00 0.43 0.00 0.00 52.55 53.57 2pkf s ASP 251 Cb 0.01 1.96 0.47 0.00 -0.30 0.00 0.00 42.92 45.06 2pkf s ASP 251 CO 0.70 -0.22 1.31 -2.65 -0.17 0.00 0.00 175.17 174.14 2pkf n PRO 252 N 5.43 0.03 -1.73 4.34 -0.02 -1.26 -4.25 135.00 137.55 2pkf n PRO 252 Ca -0.01 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2pkf n PRO 252 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 2pkf n PRO 252 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pkf s THR 253 N -2.90 2.01 0.00 3.45 2.01 -1.26 -2.59 115.64 116.35 2pkf s THR 253 Ca 0.06 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.07 2pkf s THR 253 Cb 0.07 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.58 2pkf s THR 253 CO 0.18 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.73 2pkf n GLY 254 N 3.61 0.94 0.30 4.40 0.00 -1.26 -4.61 105.19 108.56 2pkf n GLY 254 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2pkf n GLY 254 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pkf h VAL 255 N 0.00 1.27 -0.51 1.61 2.07 -1.82 -1.55 116.25 117.31 2pkf h VAL 255 Ca 0.00 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 2pkf h VAL 255 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2pkf h VAL 255 CO 0.00 0.42 0.22 1.23 0.02 0.00 0.00 177.57 179.46 2pkf h GLY 256 N 0.92 0.81 1.01 2.17 0.00 -1.91 -0.29 103.07 105.78 2pkf h GLY 256 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2pkf h GLY 256 CO 0.04 0.41 0.48 -0.55 0.00 0.00 0.00 176.54 176.91 2pkf h ASP 257 N 0.68 0.86 -0.44 0.19 3.32 -1.91 -1.80 116.42 117.33 2pkf h ASP 257 Ca 0.17 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 2pkf h ASP 257 Cb 0.17 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2pkf h ASP 257 CO -0.02 0.64 0.11 0.00 -1.72 0.00 0.00 179.24 178.25 2pkf h ALA 258 N 1.26 0.58 -0.13 3.45 0.00 -0.83 -1.02 119.26 122.56 2pkf h ALA 258 Ca 0.27 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pkf h ALA 258 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2pkf h ALA 258 CO -0.06 0.26 -0.05 0.35 0.00 0.00 0.00 179.25 179.75 2pkf h PHE 259 N 0.58 -0.12 -0.44 0.00 3.57 -0.79 -0.84 116.94 118.90 2pkf h PHE 259 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2pkf h PHE 259 Cb 0.32 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2pkf h PHE 259 CO 0.02 -0.09 0.20 0.00 -2.23 0.00 0.00 178.31 176.22 2pkf h ARG 260 N -0.03 0.40 -0.36 1.11 3.08 -1.16 0.12 114.38 117.53 2pkf h ARG 260 Ca 0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.10 2pkf h ARG 260 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2pkf h ARG 260 CO -0.16 0.26 0.23 0.00 -1.07 0.00 0.00 179.97 179.24 2pkf h ALA 261 N 1.24 0.46 -0.32 0.04 0.00 -0.96 0.22 119.26 119.94 2pkf h ALA 261 Ca 0.19 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2pkf h ALA 261 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2pkf h ALA 261 CO -0.15 -0.09 -0.06 0.78 0.00 0.00 0.00 179.25 179.72 2pkf h GLY 262 N 0.48 0.66 0.97 0.00 0.00 -0.84 0.27 103.07 104.61 2pkf h GLY 262 Ca 0.14 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2pkf h GLY 262 CO -0.04 0.49 -0.02 -2.75 0.00 0.00 0.00 176.54 174.23 2pkf h PHE 263 N 0.40 -0.05 -0.03 5.60 3.57 -0.86 -0.96 116.94 124.61 2pkf h PHE 263 Ca 0.08 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.46 2pkf h PHE 263 Cb 0.55 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 2pkf h PHE 263 CO 0.05 -0.03 -0.57 -0.07 -2.23 0.00 0.00 178.31 175.46 2pkf h LEU 264 N -0.04 0.12 -0.35 0.59 3.38 -0.88 -0.65 115.31 117.48 2pkf h LEU 264 Ca 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2pkf h LEU 264 Cb 0.04 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2pkf h LEU 264 CO -0.01 0.66 0.20 0.74 0.09 0.00 0.00 178.44 180.12 2pkf h THR 265 N 0.08 1.13 -0.57 0.22 2.02 -0.83 -1.04 112.91 113.92 2pkf h THR 265 Ca -0.00 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.90 2pkf h THR 265 Cb 1.03 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2pkf h THR 265 CO 0.08 0.13 0.28 1.23 0.37 0.00 0.00 175.52 177.62 2pkf h GLY 266 N 0.44 0.81 1.01 2.16 0.00 -0.72 -1.13 103.07 105.64 2pkf h GLY 266 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 2pkf h GLY 266 CO -0.02 0.10 0.31 3.21 0.00 0.00 0.00 176.54 180.14 2pkf h ARG 267 N 0.54 0.99 0.00 4.80 2.47 -0.89 -0.97 114.38 121.32 2pkf h ARG 267 Ca 0.26 -0.16 -0.04 0.00 -1.26 0.00 0.00 59.98 58.79 2pkf h ARG 267 Cb 0.19 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2pkf h ARG 267 CO -0.19 0.80 -0.17 0.77 0.56 0.00 0.00 179.97 181.73 2pkf h SER 268 N 0.95 0.00 -0.07 7.04 0.02 -0.75 -2.09 113.55 118.64 2pkf h SER 268 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2pkf h SER 268 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2pkf h SER 268 CO -0.03 0.17 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 2pkf n ALA 269 N -2.20 2.58 -0.51 3.77 0.00 -0.47 -4.93 120.51 118.75 2pkf n ALA 269 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2pkf n ALA 269 Cb 0.40 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.62 2pkf n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pkf n GLY 270 N 1.02 0.75 3.78 0.00 0.00 -0.79 -4.98 105.19 104.97 2pkf n GLY 270 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2pkf n GLY 270 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pkf s LEU 271 N 0.00 3.93 0.00 0.99 1.43 -0.41 -5.00 118.68 119.62 2pkf s LEU 271 Ca 0.00 2.15 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 2pkf s LEU 271 Cb 0.00 -4.38 0.25 0.00 0.03 0.00 0.00 46.19 42.09 2pkf s LEU 271 CO 0.00 -0.90 0.92 0.61 0.23 0.00 0.00 176.35 177.21 2pkf n GLY 272 N 0.22 -2.64 0.09 -3.19 0.00 -1.26 -4.37 105.19 94.05 2pkf n GLY 272 Ca 0.08 -1.50 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 2pkf n GLY 272 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2pkf h LEU 273 N 0.00 0.17 -0.08 0.99 3.38 -1.98 -0.75 115.31 117.04 2pkf h LEU 273 Ca -0.34 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 2pkf h LEU 273 Cb 1.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2pkf h LEU 273 CO 0.22 0.35 0.05 -0.08 0.09 0.00 0.00 178.44 179.08 2pkf h GLU 274 N -0.01 0.11 -0.49 1.13 4.81 -1.98 -1.04 114.58 117.11 2pkf h GLU 274 Ca 0.04 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2pkf h GLU 274 Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2pkf h GLU 274 CO 0.00 0.13 -0.08 0.00 -0.73 0.00 0.00 179.01 178.32 2pkf h ARG 275 N 0.07 0.88 -0.75 1.92 2.47 -1.92 -0.54 114.38 116.52 2pkf h ARG 275 Ca 0.03 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 2pkf h ARG 275 Cb 0.04 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2pkf h ARG 275 CO -0.01 0.93 0.31 0.77 0.56 0.00 0.00 179.97 182.54 2pkf h SER 276 N 0.80 1.02 -0.06 7.04 0.02 -1.01 -0.96 113.55 120.41 2pkf h SER 276 Ca 0.14 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 2pkf h SER 276 Cb 0.59 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2pkf h SER 276 CO 0.04 0.91 -0.23 0.00 -1.14 0.00 0.00 176.83 176.40 2pkf h ALA 277 N 1.16 1.13 -0.42 3.77 0.00 -0.75 -0.22 119.26 123.92 2pkf h ALA 277 Ca 0.25 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2pkf h ALA 277 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pkf h ALA 277 CO -0.02 0.55 0.18 1.96 0.00 0.00 0.00 179.25 181.91 2pkf h GLN 278 N 0.42 0.61 -0.23 0.00 4.20 -0.78 -0.78 115.11 118.56 2pkf h GLN 278 Ca 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2pkf h GLN 278 Cb 0.64 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2pkf h GLN 278 CO 0.05 0.56 0.11 1.25 -0.67 0.00 0.00 178.83 180.13 2pkf h LEU 279 N 0.53 0.29 -1.09 1.46 5.85 -0.98 -2.23 115.31 119.14 2pkf h LEU 279 Ca 0.14 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2pkf h LEU 279 Cb 0.16 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2pkf h LEU 279 CO -0.01 0.32 0.61 1.23 -0.34 0.00 0.00 178.44 180.25 2pkf h GLY 280 N 0.24 1.42 1.52 3.75 0.00 -0.93 -1.78 103.07 107.30 2pkf h GLY 280 Ca 0.08 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 2pkf h GLY 280 CO -0.01 0.29 -0.13 1.76 0.00 0.00 0.00 176.54 178.44 2pkf h SER 281 N 1.06 0.56 -0.12 0.19 0.02 -0.81 -0.43 113.55 114.02 2pkf h SER 281 Ca 0.42 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2pkf h SER 281 Cb 0.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2pkf h SER 281 CO -0.17 0.73 0.00 0.25 -1.14 0.00 0.00 176.83 176.50 2pkf h LEU 282 N 0.53 0.21 -0.97 5.07 5.85 -0.75 -2.17 115.31 123.08 2pkf h LEU 282 Ca 0.09 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 2pkf h LEU 282 Cb 0.54 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 2pkf h LEU 282 CO 0.03 0.45 0.38 0.58 -0.34 0.00 0.00 178.44 179.55 2pkf h VAL 283 N -0.05 1.24 -0.29 1.05 2.07 -1.13 -2.13 116.25 117.00 2pkf h VAL 283 Ca 0.03 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.92 2pkf h VAL 283 Cb 0.35 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2pkf h VAL 283 CO 0.01 0.29 0.08 0.00 0.02 0.00 0.00 177.57 177.96 2pkf h ALA 284 N 1.31 0.32 -0.18 1.67 0.00 -1.00 -2.23 119.26 119.15 2pkf h ALA 284 Ca 0.27 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2pkf h ALA 284 Cb 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2pkf h ALA 284 CO -0.04 -0.33 -0.26 -0.24 0.00 0.00 0.00 179.25 178.38 2pkf h VAL 285 N 0.19 1.26 -0.56 0.00 3.04 -0.98 -0.76 116.25 118.44 2pkf h VAL 285 Ca 0.13 -1.21 -0.05 0.00 -1.01 0.00 0.00 66.70 64.57 2pkf h VAL 285 Cb 0.13 1.42 -0.03 0.00 -2.01 0.00 0.00 31.29 30.80 2pkf h VAL 285 CO -0.16 0.37 0.14 -0.07 -1.01 0.00 0.00 177.57 176.84 2pkf h LEU 286 N 0.29 0.80 -0.33 3.16 3.38 -1.03 -1.53 115.31 120.05 2pkf h LEU 286 Ca 0.04 -0.14 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 2pkf h LEU 286 Cb 0.63 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2pkf h LEU 286 CO 0.05 0.78 -0.69 0.58 0.09 0.00 0.00 178.44 179.24 2pkf h VAL 287 N 0.82 1.32 -0.39 1.22 2.07 -0.95 -3.07 116.25 117.28 2pkf h VAL 287 Ca 0.18 -1.97 0.01 0.00 0.82 0.00 0.00 66.70 65.74 2pkf h VAL 287 Cb 0.29 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2pkf h VAL 287 CO -0.00 0.61 0.26 0.25 0.02 0.00 0.00 177.57 178.71 2pkf h LEU 288 N 0.44 0.42 -1.03 2.57 5.85 -0.70 -2.05 115.31 120.81 2pkf h LEU 288 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2pkf h LEU 288 Cb 1.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2pkf h LEU 288 CO 0.13 0.30 0.00 -0.62 -0.34 0.00 0.00 178.44 177.91 2pkf n GLU 289 N -4.48 1.65 -4.52 1.25 1.02 -0.62 -1.26 120.64 113.68 2pkf n GLU 289 Ca 0.03 -1.01 -0.21 0.00 -0.02 0.00 0.00 57.16 55.95 2pkf n GLU 289 Cb 0.09 -1.25 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 2pkf n GLU 289 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2pkf s SER 290 N -1.09 1.57 -0.05 1.62 0.15 -0.77 -4.81 113.70 110.32 2pkf s SER 290 Ca 0.21 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.28 2pkf s SER 290 Cb 0.11 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2pkf s SER 290 CO 0.15 0.12 0.89 -0.89 1.20 0.00 0.00 173.24 174.71 2pkf s THR 291 N -0.47 4.91 0.00 6.45 2.01 -1.26 -4.24 115.64 123.04 2pkf s THR 291 Ca 0.04 1.84 0.00 0.00 0.31 0.00 0.00 61.69 63.88 2pkf s THR 291 Cb -0.06 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2pkf s THR 291 CO 0.00 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2pkf n GLY 292 N 3.05 -1.84 0.00 4.40 0.00 -1.26 -4.57 105.19 104.97 2pkf n GLY 292 Ca 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2pkf n GLY 292 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pkf n THR 293 N -0.00 0.00 -1.50 2.61 -2.24 -1.26 -4.69 114.28 107.19 2pkf n THR 293 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2pkf n THR 293 Cb 0.00 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 68.52 2pkf n THR 293 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pkf n GLN 294 N -1.60 1.17 -0.23 -0.78 6.02 -1.26 -4.75 117.38 115.96 2pkf n GLN 294 Ca 0.00 -2.68 0.07 0.00 -0.01 0.00 0.00 57.00 54.38 2pkf n GLN 294 Cb 0.11 -1.32 0.20 0.00 1.02 0.00 0.00 30.24 30.25 2pkf n GLN 294 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pkf n GLU 295 N -1.00 2.86 -2.55 -1.09 1.02 -1.26 -4.97 120.64 113.65 2pkf n GLU 295 Ca 0.15 -2.22 -0.28 0.00 -0.02 0.00 0.00 57.16 54.79 2pkf n GLU 295 Cb 0.71 -1.36 -0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2pkf n GLU 295 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2pkf s TRP 296 N -1.05 3.57 0.12 -0.32 1.48 -1.26 -4.92 118.94 116.56 2pkf s TRP 296 Ca 0.30 0.88 0.06 0.00 -1.06 0.00 0.00 56.10 56.28 2pkf s TRP 296 Cb 0.16 -2.36 -0.04 0.00 -1.16 0.00 0.00 33.47 30.07 2pkf s TRP 296 CO 0.20 -0.32 -0.04 -0.65 -4.06 0.00 0.00 176.95 172.07 2pkf s GLN 297 N -4.76 2.35 -0.29 3.25 -1.52 -1.26 -5.11 119.66 112.31 2pkf s GLN 297 Ca 0.48 -0.98 -0.05 0.00 -1.95 0.00 0.00 55.36 52.87 2pkf s GLN 297 Cb -0.10 -2.40 0.03 0.00 -0.22 0.00 0.00 33.01 30.31 2pkf s GLN 297 CO 0.45 0.51 0.04 -0.46 -0.25 0.00 0.00 175.29 175.58 2pkf s TRP 298 N -1.38 3.17 -0.21 0.91 -0.11 -1.26 -5.06 118.94 114.99 2pkf s TRP 298 Ca 0.25 -1.38 0.01 0.00 1.22 0.00 0.00 56.10 56.19 2pkf s TRP 298 Cb -0.11 -2.19 0.03 0.00 -1.50 0.00 0.00 33.47 29.70 2pkf s TRP 298 CO 0.17 -0.69 -0.14 0.34 -4.62 0.00 0.00 176.95 172.00 2pkf s ASP 299 N 1.39 3.72 0.16 5.86 2.15 -1.26 -5.03 116.67 123.66 2pkf s ASP 299 Ca -0.00 -0.84 -0.16 0.00 0.43 0.00 0.00 52.55 51.98 2pkf s ASP 299 Cb -0.18 -1.55 0.09 0.00 -0.30 0.00 0.00 42.92 40.98 2pkf s ASP 299 CO 0.00 -0.07 1.69 0.22 -0.17 0.00 0.00 175.17 176.85 2pkf h TYR 300 N 7.93 -0.06 -0.47 -5.34 3.20 -1.98 -1.58 116.97 118.68 2pkf h TYR 300 Ca -0.37 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.44 2pkf h TYR 300 Cb 1.11 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2pkf h TYR 300 CO 0.54 -0.09 -0.04 0.93 -1.64 0.00 0.00 178.16 177.86 2pkf h GLU 301 N 0.08 0.85 -0.63 1.82 4.39 -1.96 -2.16 114.58 116.97 2pkf h GLU 301 Ca 0.18 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2pkf h GLU 301 Cb 0.26 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2pkf h GLU 301 CO -0.33 0.92 0.33 0.00 -1.16 0.00 0.00 179.01 178.77 2pkf h ALA 302 N 0.90 1.39 -0.14 3.43 0.00 -1.96 -2.01 119.26 120.88 2pkf h ALA 302 Ca 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pkf h ALA 302 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2pkf h ALA 302 CO 0.03 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.83 2pkf h ALA 303 N 1.48 0.18 -0.23 0.00 0.00 -1.02 -0.98 119.26 118.69 2pkf h ALA 303 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2pkf h ALA 303 Cb 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2pkf h ALA 303 CO -0.03 -0.25 0.01 0.00 0.00 0.00 0.00 179.25 178.98 2pkf h ALA 304 N 0.92 0.21 -0.54 0.00 0.00 -1.21 0.24 119.26 118.87 2pkf h ALA 304 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2pkf h ALA 304 Cb 0.14 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2pkf h ALA 304 CO -0.00 -0.41 0.26 1.03 0.00 0.00 0.00 179.25 180.12 2pkf h SER 305 N 0.09 0.71 -0.22 0.00 0.87 -1.31 -1.14 113.55 112.55 2pkf h SER 305 Ca 0.11 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 2pkf h SER 305 Cb 0.13 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2pkf h SER 305 CO -0.17 0.64 -0.51 0.03 -0.53 0.00 0.00 176.83 176.28 2pkf h ARG 306 N 0.72 0.80 -0.86 2.24 3.08 -0.98 -0.95 114.38 118.44 2pkf h ARG 306 Ca 0.19 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2pkf h ARG 306 Cb 0.12 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2pkf h ARG 306 CO -0.02 1.12 0.56 -0.07 -1.07 0.00 0.00 179.97 180.49 2pkf h LEU 307 N 0.62 0.99 -0.63 3.04 3.38 -0.87 -2.20 115.31 119.64 2pkf h LEU 307 Ca 0.02 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2pkf h LEU 307 Cb 1.10 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2pkf h LEU 307 CO 0.11 0.72 0.22 0.00 0.09 0.00 0.00 178.44 179.59 2pkf h ALA 308 N 1.31 0.83 -0.74 1.53 0.00 -0.91 0.17 119.26 121.45 2pkf h ALA 308 Ca 0.31 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2pkf h ALA 308 Cb -0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 2pkf h ALA 308 CO -0.07 0.48 0.47 0.78 0.00 0.00 0.00 179.25 180.91 2pkf h GLY 309 N 0.90 1.06 1.36 0.00 0.00 -0.92 0.95 103.07 106.43 2pkf h GLY 309 Ca 0.21 -0.36 -0.32 0.00 0.00 0.00 0.00 47.33 46.86 2pkf h GLY 309 CO -0.01 0.31 -1.43 0.00 0.00 0.00 0.00 176.54 175.41 2pkf h ALA 310 N 1.31 -0.07 0.00 3.60 0.00 -1.20 -3.41 119.26 119.48 2pkf h ALA 310 Ca 0.29 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2pkf h ALA 310 Cb -0.00 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pkf h ALA 310 CO -0.10 0.79 0.00 0.66 0.00 0.00 0.00 179.25 180.60 2pkf n TYR 311 N -3.66 0.00 0.00 0.00 4.01 0.03 -5.06 117.16 112.48 2pkf n TYR 311 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2pkf n TYR 311 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.11 2pkf n TYR 311 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pkf n GLY 312 N 0.13 0.51 0.24 2.72 0.00 0.33 -4.41 105.19 104.69 2pkf n GLY 312 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2pkf n GLY 312 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pkf h GLU 313 N 0.00 0.32 -0.17 1.61 4.39 -1.89 -2.39 114.58 116.46 2pkf h GLU 313 Ca 0.00 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 2pkf h GLU 313 Cb 0.00 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2pkf h GLU 313 CO 0.00 0.49 0.01 1.25 -1.16 0.00 0.00 179.01 179.61 2pkf h HIS 314 N 0.30 0.31 -0.46 4.33 2.76 -1.95 -0.73 115.15 119.71 2pkf h HIS 314 Ca 0.05 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2pkf h HIS 314 Cb 0.49 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2pkf h HIS 314 CO 0.01 0.48 0.24 0.00 -1.30 0.00 0.00 177.93 177.36 2pkf h ALA 315 N 0.79 0.59 -0.52 5.26 0.00 -1.73 -2.08 119.26 121.57 2pkf h ALA 315 Ca 0.05 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2pkf h ALA 315 Cb 0.34 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2pkf h ALA 315 CO 0.01 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.63 2pkf h ALA 316 N 1.09 0.67 -0.75 0.00 0.00 -1.34 -1.44 119.26 117.48 2pkf h ALA 316 Ca 0.16 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2pkf h ALA 316 Cb 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2pkf h ALA 316 CO -0.02 -0.12 0.47 0.00 0.00 0.00 0.00 179.25 179.58 2pkf h ALA 317 N 1.30 0.98 -0.18 0.00 0.00 -0.80 -0.95 119.26 119.62 2pkf h ALA 317 Ca 0.24 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2pkf h ALA 317 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pkf h ALA 317 CO -0.19 0.26 -0.42 0.93 0.00 0.00 0.00 179.25 179.83 2pkf h GLU 318 N 0.92 0.43 0.06 0.00 5.08 -0.86 -2.13 114.58 118.08 2pkf h GLU 318 Ca 0.30 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pkf h GLU 318 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2pkf h GLU 318 CO -0.11 0.78 -0.03 0.82 -1.00 0.00 0.00 179.01 179.47 2pkf h ILE 319 N 0.36 1.25 0.00 3.13 2.04 -0.96 -3.27 117.51 120.06 2pkf h ILE 319 Ca 0.03 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 2pkf h ILE 319 Cb 0.89 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2pkf h ILE 319 CO 0.08 0.29 -0.01 -0.37 0.00 0.00 0.00 178.15 178.14 2pkf h VAL 320 N -0.64 0.02 -0.47 1.67 -1.51 -1.16 -2.46 116.25 111.69 2pkf h VAL 320 Ca -0.01 -0.43 0.11 0.00 -1.23 0.00 0.00 66.70 65.14 2pkf h VAL 320 Cb 0.54 1.42 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 2pkf h VAL 320 CO 0.01 0.01 0.33 0.00 -1.23 0.00 0.00 177.57 176.69 2pkf h ALA 321 N 1.99 2.24 -0.10 5.19 0.00 -1.43 -1.57 119.26 125.60 2pkf h ALA 321 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pkf h ALA 321 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pkf h ALA 321 CO 0.00 -0.37 0.00 1.33 0.00 0.00 0.00 179.25 180.22 2pkf n VAL 322 N -4.44 0.10 -4.15 0.00 0.24 -0.93 -4.98 118.33 104.17 2pkf n VAL 322 Ca 0.08 -0.49 -0.27 0.00 -2.04 0.00 0.00 64.34 61.61 2pkf n VAL 322 Cb 0.44 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.94 2pkf n VAL 322 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pkf s LEU 323 N -1.89 2.73 0.00 1.34 1.02 -0.59 -5.03 118.68 116.26 2pkf s LEU 323 Ca 0.32 -1.29 0.00 0.00 0.02 0.00 0.00 54.13 53.18 2pkf s LEU 323 Cb 0.21 -1.17 0.00 0.00 0.02 0.00 0.00 46.19 45.25 2pkf s LEU 323 CO 0.31 -0.89 0.00 0.00 0.02 0.00 0.00 176.35 175.78