#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pkf s THR -8 N 0.00 4.23 -0.13 2.61 -4.23 -1.26 -5.00 115.64 111.86 2pkf s THR -8 Ca 0.00 -1.50 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 2pkf s THR -8 Cb 0.00 -3.28 0.37 0.00 1.34 0.00 0.00 72.50 70.93 2pkf s THR -8 CO 0.00 -0.35 1.83 -0.33 -0.54 0.00 0.00 174.62 175.23 2pkf h GLU -7 N 1.60 0.00 0.00 3.99 3.07 -1.98 -1.36 114.58 119.90 2pkf h GLU -7 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2pkf h GLU -7 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2pkf h GLU -7 CO 0.61 0.00 0.00 -0.40 -1.40 0.00 0.00 179.01 177.82 2pkf n ASP -6 N -3.06 0.00 -0.01 1.42 3.85 -1.26 -1.88 116.55 115.61 2pkf n ASP -6 Ca 0.02 -0.39 -0.01 0.00 -0.71 0.00 0.00 54.79 53.70 2pkf n ASP -6 Cb 0.39 -0.13 -0.02 0.00 -1.35 0.00 0.00 41.12 40.01 2pkf n ASP -6 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2pkf n LEU -5 N -1.13 0.00 0.15 -2.12 4.77 -0.57 -4.53 117.00 113.58 2pkf n LEU -5 Ca 0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 2pkf n LEU -5 Cb 0.12 0.06 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 2pkf n LEU -5 CO 0.14 0.06 0.93 1.88 -1.33 0.00 0.00 177.39 179.07 2pkf h TYR -4 N 0.00 0.18 -3.36 -1.77 -1.99 -1.35 -3.41 116.97 105.27 2pkf h TYR -4 Ca -0.07 -0.01 -0.50 0.00 2.00 0.00 0.00 58.73 60.15 2pkf h TYR -4 Cb 1.03 -0.05 -0.34 0.00 2.00 0.00 0.00 36.73 39.36 2pkf h TYR -4 CO 0.00 0.28 -0.80 -0.06 -0.00 0.00 0.00 178.16 177.57 2pkf s PHE -3 N -4.80 1.35 -0.09 4.88 0.40 -0.79 -5.09 117.98 113.85 2pkf s PHE -3 Ca -0.05 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2pkf s PHE -3 Cb 0.16 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.65 2pkf s PHE -3 CO 0.72 -0.33 -0.13 -0.65 0.70 0.00 0.00 175.22 175.53 2pkf s GLN -2 N 0.99 1.86 0.00 0.44 -0.21 -1.26 -4.44 119.66 117.03 2pkf s GLN -2 Ca -0.09 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2pkf s GLN -2 Cb -0.15 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.27 2pkf s GLN -2 CO -0.00 -0.04 0.00 0.72 -2.12 0.00 0.00 175.29 173.85 2pkf n HIS 0 N 4.08 0.00 -2.05 0.91 8.25 -1.26 -5.12 115.22 120.03 2pkf n HIS 0 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 2pkf n HIS 0 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2pkf n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2pkf s MET 1 N 0.00 4.26 0.03 -0.41 -1.94 -1.26 -4.96 119.30 115.01 2pkf s MET 1 Ca 0.00 2.21 0.07 0.00 -1.71 0.00 0.00 55.69 56.26 2pkf s MET 1 Cb 0.00 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 2pkf s MET 1 CO 0.00 -0.56 -0.22 0.99 -0.01 0.00 0.00 175.02 175.23 2pkf s THR 2 N 1.47 1.75 -0.18 2.05 2.01 -1.26 -4.58 115.64 116.90 2pkf s THR 2 Ca 0.68 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 61.35 2pkf s THR 2 Cb -0.39 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2pkf s THR 2 CO 0.31 0.31 0.51 -0.63 -0.69 0.00 0.00 174.62 174.43 2pkf s ILE 3 N -0.71 5.13 -0.24 1.82 1.01 -0.43 -0.95 121.20 126.82 2pkf s ILE 3 Ca 0.08 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.59 2pkf s ILE 3 Cb -0.09 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 2pkf s ILE 3 CO 0.01 0.22 0.17 0.00 0.00 0.00 0.00 174.94 175.34 2pkf s ALA 4 N 1.35 3.61 -0.31 9.38 0.00 -0.25 -1.29 121.76 134.24 2pkf s ALA 4 Ca 0.25 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.25 2pkf s ALA 4 Cb -0.15 -2.34 0.02 0.00 0.00 0.00 0.00 23.12 20.65 2pkf s ALA 4 CO 0.10 -0.21 0.11 0.08 0.00 0.00 0.00 175.76 175.84 2pkf s VAL 5 N 1.09 4.04 0.07 0.00 1.01 -0.00 -0.65 120.40 125.95 2pkf s VAL 5 Ca 0.08 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2pkf s VAL 5 Cb -0.14 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2pkf s VAL 5 CO 0.05 -0.01 0.13 0.42 0.00 0.00 0.00 175.10 175.69 2pkf s THR 6 N 1.49 4.88 -5.00 3.92 -4.23 -0.07 -0.67 115.64 115.98 2pkf s THR 6 Ca 0.02 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2pkf s THR 6 Cb -0.18 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.30 2pkf s THR 6 CO 0.03 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 2pkf n GLY 7 N 0.41 0.28 3.77 3.99 0.00 -1.23 -1.18 105.19 111.23 2pkf n GLY 7 Ca -0.07 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2pkf n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pkf s SER 8 N -2.84 6.53 -0.10 1.61 0.15 -0.07 -4.58 113.70 114.40 2pkf s SER 8 Ca 0.00 2.88 0.03 0.00 0.70 0.00 0.00 55.95 59.56 2pkf s SER 8 Cb 0.00 -2.65 0.01 0.00 -1.71 0.00 0.00 66.02 61.66 2pkf s SER 8 CO 0.00 -0.74 -0.18 -0.63 1.20 0.00 0.00 173.24 172.89 2pkf s ILE 9 N -0.94 1.66 0.24 6.45 1.01 -1.26 -1.71 121.20 126.65 2pkf s ILE 9 Ca 0.53 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 2pkf s ILE 9 Cb -0.44 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2pkf s ILE 9 CO 0.57 0.47 0.60 0.00 0.00 0.00 0.00 174.94 176.58 2pkf s ALA 10 N 0.66 -0.91 0.16 9.38 0.00 -0.76 -4.12 121.76 126.16 2pkf s ALA 10 Ca -0.13 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.51 2pkf s ALA 10 Cb -0.16 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 2pkf s ALA 10 CO 0.03 -0.92 -0.14 0.95 0.00 0.00 0.00 175.76 175.69 2pkf s THR 11 N -3.92 1.50 -0.16 0.00 -4.23 -0.86 -0.60 115.64 107.36 2pkf s THR 11 Ca 0.13 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 2pkf s THR 11 Cb -0.03 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 72.02 2pkf s THR 11 CO 0.04 -0.51 -0.13 -1.81 -0.54 0.00 0.00 174.62 171.67 2pkf s ASP 12 N -2.86 3.87 -0.32 3.99 1.11 0.22 -1.22 116.67 121.45 2pkf s ASP 12 Ca 0.15 -0.42 -0.05 0.00 0.18 0.00 0.00 52.55 52.42 2pkf s ASP 12 Cb -0.03 -1.61 0.04 0.00 1.07 0.00 0.00 42.92 42.40 2pkf s ASP 12 CO 0.04 0.09 0.06 -1.00 1.18 0.00 0.00 175.17 175.54 2pkf s HIS 13 N 0.81 3.24 -0.19 4.23 3.76 0.40 -0.65 115.29 126.88 2pkf s HIS 13 Ca -0.04 -1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 53.31 2pkf s HIS 13 Cb -0.15 -2.21 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 2pkf s HIS 13 CO 0.00 -0.74 -0.08 -0.51 -0.85 0.00 0.00 174.74 172.57 2pkf s LEU 14 N 1.36 2.78 0.02 0.89 1.43 0.62 -1.24 118.68 124.54 2pkf s LEU 14 Ca -0.02 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2pkf s LEU 14 Cb -0.19 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2pkf s LEU 14 CO 0.01 0.03 -0.24 -0.04 0.23 0.00 0.00 176.35 176.34 2pkf s MET 15 N 1.19 1.97 -0.20 1.70 -1.94 0.06 -0.83 119.30 121.25 2pkf s MET 15 Ca 0.02 -1.02 -0.05 0.00 -1.71 0.00 0.00 55.69 52.94 2pkf s MET 15 Cb -0.14 -2.06 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 2pkf s MET 15 CO -0.02 0.54 -0.01 0.50 -0.01 0.00 0.00 175.02 176.02 2pkf s ARG 16 N -1.08 3.61 -0.31 2.03 3.52 -0.88 -1.35 118.95 124.50 2pkf s ARG 16 Ca 0.12 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.08 2pkf s ARG 16 Cb -0.10 -3.06 -0.03 0.00 -1.56 0.00 0.00 34.95 30.21 2pkf s ARG 16 CO 0.02 0.03 0.18 0.12 -0.81 0.00 0.00 175.30 174.84 2pkf s PHE 17 N 0.94 3.20 -0.24 5.12 5.36 0.04 -1.25 117.98 131.14 2pkf s PHE 17 Ca 0.01 -0.23 0.26 0.00 -0.96 0.00 0.00 56.93 56.00 2pkf s PHE 17 Cb -0.14 -2.39 1.19 0.00 -0.34 0.00 0.00 43.02 41.34 2pkf s PHE 17 CO 0.02 -0.33 1.77 -1.00 -1.46 0.00 0.00 175.22 174.22 2pkf h PRO 18 N 8.39 0.00 0.00 10.12 0.13 -1.86 -3.00 132.00 145.78 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2pkf h PRO 18 CO 0.60 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.78 2pkf n GLY 19 N -0.50 1.57 3.13 1.56 0.00 -1.26 -4.47 105.19 105.22 2pkf n GLY 19 Ca 0.00 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 2.80 2.85 0.40 1.61 0.52 -1.26 -1.61 118.95 124.26 2pkf s ARG 20 Ca 0.00 -0.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 2pkf s ARG 20 Cb 0.00 -2.38 0.87 0.00 0.52 0.00 0.00 34.95 33.96 2pkf s ARG 20 CO 0.00 -0.10 1.99 0.74 0.02 0.00 0.00 175.30 177.95 2pkf h PHE 21 N 7.58 0.59 -0.10 -0.53 0.04 -1.96 -2.31 116.94 120.24 2pkf h PHE 21 Ca -0.37 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.45 2pkf h PHE 21 Cb 1.17 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 2pkf h PHE 21 CO 0.47 0.31 0.13 0.66 -0.60 0.00 0.00 178.31 179.29 2pkf h SER 22 N 0.58 0.00 0.81 2.17 4.64 -1.94 -1.60 113.55 118.20 2pkf h SER 22 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2pkf h SER 22 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2pkf h SER 22 CO -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 2pkf n GLU 23 N -3.68 0.20 -0.11 4.77 1.02 -0.87 -1.78 120.64 120.19 2pkf n GLU 23 Ca -0.00 0.40 0.05 0.00 -0.02 0.00 0.00 57.16 57.58 2pkf n GLU 23 Cb 0.23 -1.86 0.10 0.00 -0.02 0.00 0.00 31.44 29.89 2pkf n GLU 23 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2pkf n GLN 24 N -2.24 2.16 -2.96 3.49 6.02 -0.61 -4.73 117.38 118.51 2pkf n GLN 24 Ca 0.02 -1.71 -0.43 0.00 -0.01 0.00 0.00 57.00 54.88 2pkf n GLN 24 Cb 0.25 -1.21 0.01 0.00 1.02 0.00 0.00 30.24 30.31 2pkf n GLN 24 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2pkf n LEU 25 N 0.40 6.34 -4.83 1.08 4.77 -0.74 -4.96 117.00 119.06 2pkf n LEU 25 Ca 0.08 -5.12 -0.33 0.00 -0.03 0.00 0.00 56.01 50.62 2pkf n LEU 25 Cb 0.35 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.07 2pkf n LEU 25 CO 0.06 1.60 0.67 -0.76 -1.33 0.00 0.00 177.39 177.63 2pkf s LEU 26 N -2.24 3.77 0.68 2.23 1.02 -1.26 -4.99 118.68 117.88 2pkf s LEU 26 Ca 0.32 1.64 -0.15 0.00 0.02 0.00 0.00 54.13 55.96 2pkf s LEU 26 Cb 0.04 -4.52 0.01 0.00 0.02 0.00 0.00 46.19 41.73 2pkf s LEU 26 CO 0.07 -0.50 1.13 -2.16 0.02 0.00 0.00 176.35 174.90 2pkf s PRO 27 N -3.66 2.65 0.00 1.29 0.04 -1.26 -4.20 135.00 129.87 2pkf s PRO 27 Ca 0.61 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2pkf s PRO 27 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2pkf s PRO 27 CO 0.23 -1.37 0.00 0.39 0.04 0.00 0.00 177.00 176.29 2pkf n GLU 28 N -2.52 0.00 -0.85 4.56 1.02 -1.26 -4.75 120.64 116.84 2pkf n GLU 28 Ca 0.11 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.29 2pkf n GLU 28 Cb 0.52 -0.37 0.07 0.00 -0.02 0.00 0.00 31.44 31.64 2pkf n GLU 28 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2pkf n HIS 29 N -1.91 0.00 0.43 -0.32 8.25 -1.26 -4.80 115.22 115.61 2pkf n HIS 29 Ca 0.00 -0.63 0.05 0.00 -0.26 0.00 0.00 57.72 56.87 2pkf n HIS 29 Cb 0.00 -0.14 0.23 0.00 1.12 0.00 0.00 29.99 31.20 2pkf n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2pkf n LEU 30 N -0.22 0.00 -0.15 2.41 4.77 -1.26 -1.92 117.00 120.62 2pkf n LEU 30 Ca 0.08 0.29 0.15 0.00 -0.03 0.00 0.00 56.01 56.50 2pkf n LEU 30 Cb 0.87 -0.29 0.69 0.00 -2.33 0.00 0.00 43.42 42.36 2pkf n LEU 30 CO -0.02 -0.20 0.94 1.41 -1.33 0.00 0.00 177.39 178.18 2pkf n HIS 31 N -1.29 0.00 -3.01 -1.77 8.25 -1.26 -4.26 115.22 111.89 2pkf n HIS 31 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 2pkf n HIS 31 Cb 0.07 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.26 1.01 0.62 -0.41 2.20 -0.81 -5.15 119.74 114.94 2pkf s LYS 32 Ca 0.36 -1.48 -0.15 0.00 -0.36 0.00 0.00 55.97 54.33 2pkf s LYS 32 Cb 0.21 -0.59 -0.02 0.00 -1.51 0.00 0.00 37.83 35.92 2pkf s LYS 32 CO 0.42 -1.35 1.07 0.14 -0.36 0.00 0.00 175.35 175.26 2pkf s VAL 33 N 0.55 3.71 -0.43 4.02 -7.23 -1.26 -5.01 120.40 114.76 2pkf s VAL 33 Ca 0.31 0.78 0.05 0.00 -1.81 0.00 0.00 61.98 61.31 2pkf s VAL 33 Cb 0.02 -3.32 0.19 0.00 0.56 0.00 0.00 36.38 33.82 2pkf s VAL 33 CO -0.11 -0.51 0.39 -0.24 -0.31 0.00 0.00 175.10 174.32 2pkf n SER 34 N -2.21 -0.10 -4.81 4.85 2.88 -1.26 -5.13 113.62 107.84 2pkf n SER 34 Ca 0.09 -2.50 -0.36 0.00 -1.33 0.00 0.00 58.87 54.77 2pkf n SER 34 Cb 0.53 -0.58 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 2pkf n SER 34 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2pkf s LEU 35 N -0.32 4.31 -0.10 2.46 1.43 -1.26 -5.07 118.68 120.15 2pkf s LEU 35 Ca 0.33 1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 54.93 2pkf s LEU 35 Cb 0.06 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.57 2pkf s LEU 35 CO -0.18 -0.02 0.17 -0.55 0.23 0.00 0.00 176.35 176.00 2pkf s SER 36 N -1.69 0.82 -0.17 2.29 0.15 -1.26 -5.14 113.70 108.70 2pkf s SER 36 Ca 0.46 0.28 0.01 0.00 0.70 0.00 0.00 55.95 57.40 2pkf s SER 36 Cb -0.17 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2pkf s SER 36 CO 0.21 -0.25 -0.19 -0.36 1.20 0.00 0.00 173.24 173.85 2pkf s PHE 37 N 2.30 2.77 -0.49 3.44 0.08 -1.26 -5.08 117.98 119.74 2pkf s PHE 37 Ca 0.03 -1.50 -0.28 0.00 0.12 0.00 0.00 56.93 55.30 2pkf s PHE 37 Cb -0.12 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2pkf s PHE 37 CO -0.06 -0.73 1.08 -1.17 -0.10 0.00 0.00 175.22 174.24 2pkf s LEU 38 N 1.18 3.72 0.21 -0.37 2.96 -1.26 -5.03 118.68 120.09 2pkf s LEU 38 Ca 0.02 0.30 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 2pkf s LEU 38 Cb -0.14 -3.38 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 2pkf s LEU 38 CO -0.09 -1.23 0.39 0.68 -1.32 0.00 0.00 176.35 174.77 2pkf s VAL 39 N 4.33 5.21 0.00 1.68 -7.23 -1.26 -4.48 120.40 118.65 2pkf s VAL 39 Ca 0.44 -0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2pkf s VAL 39 Cb -0.08 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.11 2pkf s VAL 39 CO 0.29 -0.20 0.90 -0.90 -0.31 0.00 0.00 175.10 174.89 2pkf n ASP 40 N -0.76 1.75 -3.65 4.85 5.75 -0.38 -5.00 116.55 119.10 2pkf n ASP 40 Ca -0.05 -1.82 -0.14 0.00 -0.01 0.00 0.00 54.79 52.77 2pkf n ASP 40 Cb 0.54 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.55 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 -0.82 -0.61 -0.05 -1.12 2.15 -1.25 -4.98 116.67 110.00 2pkf s ASP 41 Ca 0.00 1.07 -0.01 0.00 0.43 0.00 0.00 52.55 54.04 2pkf s ASP 41 Cb 0.00 1.08 0.03 0.00 -0.30 0.00 0.00 42.92 43.72 2pkf s ASP 41 CO 0.00 -0.28 0.03 -0.22 -0.17 0.00 0.00 175.17 174.53 2pkf s LEU 42 N -0.00 0.46 -0.09 -1.34 2.96 -1.26 -2.07 118.68 117.34 2pkf s LEU 42 Ca -0.02 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2pkf s LEU 42 Cb -0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 46.19 46.42 2pkf s LEU 42 CO 0.02 -0.21 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.92 2pkf s VAL 43 N 1.89 2.03 -0.19 1.68 1.01 -0.01 -4.97 120.40 121.85 2pkf s VAL 43 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2pkf s VAL 43 Cb -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.51 2pkf s VAL 43 CO -0.03 0.56 -0.13 -0.04 0.00 0.00 0.00 175.10 175.45 2pkf s MET 44 N 0.22 3.20 -0.14 2.72 -1.94 -1.26 -0.27 119.30 121.83 2pkf s MET 44 Ca -0.15 -0.73 -0.02 0.00 -1.71 0.00 0.00 55.69 53.08 2pkf s MET 44 Cb -0.17 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.90 2pkf s MET 44 CO 0.07 -0.14 -0.08 -1.01 -0.01 0.00 0.00 175.02 173.86 2pkf s HIS 45 N 1.21 2.93 0.11 -0.03 3.76 0.18 -4.96 115.29 118.50 2pkf s HIS 45 Ca 0.02 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.27 2pkf s HIS 45 Cb -0.14 -1.89 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 2pkf s HIS 45 CO -0.06 -0.06 0.84 1.03 -0.85 0.00 0.00 174.74 175.65 2pkf s ARG 46 N 0.22 4.61 0.00 1.40 0.52 -1.26 -0.61 118.95 123.83 2pkf s ARG 46 Ca -0.05 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 2pkf s ARG 46 Cb -0.14 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2pkf s ARG 46 CO 0.04 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.11 2pkf n GLY 47 N 2.09 3.03 0.00 -3.53 0.00 0.23 -4.29 105.19 102.73 2pkf n GLY 47 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.23 0.30 -0.02 0.00 -1.25 -1.83 105.19 101.16 2pkf n GLY 48 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 0.88 -0.32 1.61 -1.51 -1.83 0.01 116.25 115.10 2pkf h VAL 49 Ca 0.00 -0.25 -0.15 0.00 -1.23 0.00 0.00 66.70 65.07 2pkf h VAL 49 Cb 0.00 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.24 2pkf h VAL 49 CO 0.00 0.13 -0.39 0.00 -1.23 0.00 0.00 177.57 176.09 2pkf h ALA 50 N 1.46 0.47 -0.39 5.19 0.00 -1.58 -0.95 119.26 123.46 2pkf h ALA 50 Ca 0.39 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pkf h ALA 50 Cb 0.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2pkf h ALA 50 CO -0.26 0.57 0.24 0.78 0.00 0.00 0.00 179.25 180.59 2pkf h GLY 51 N 0.60 0.55 0.99 0.00 0.00 -1.44 -0.79 103.07 102.97 2pkf h GLY 51 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2pkf h GLY 51 CO 0.09 0.17 0.14 3.43 0.00 0.00 0.00 176.54 180.37 2pkf h ASN 52 N 0.49 0.25 -0.42 0.19 2.35 -0.86 -0.21 115.58 117.38 2pkf h ASN 52 Ca 0.15 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.80 2pkf h ASN 52 Cb -0.02 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2pkf h ASN 52 CO -0.05 0.19 -0.07 0.24 -1.65 0.00 0.00 177.43 176.09 2pkf h MET 53 N 0.28 0.79 -0.45 0.81 2.86 -1.10 -2.14 114.93 115.99 2pkf h MET 53 Ca 0.08 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2pkf h MET 53 Cb -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2pkf h MET 53 CO -0.02 0.90 0.19 0.00 1.06 0.00 0.00 176.91 179.04 2pkf h ALA 54 N 0.86 0.58 -0.33 6.32 0.00 -1.02 -1.52 119.26 124.15 2pkf h ALA 54 Ca 0.11 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2pkf h ALA 54 Cb 0.59 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 2pkf h ALA 54 CO 0.04 0.17 -0.15 0.35 0.00 0.00 0.00 179.25 179.65 2pkf h PHE 55 N 0.58 -0.37 -0.41 0.00 3.57 -0.95 -0.87 116.94 118.49 2pkf h PHE 55 Ca 0.15 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2pkf h PHE 55 Cb 0.16 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2pkf h PHE 55 CO -0.00 -0.23 0.06 0.00 -2.23 0.00 0.00 178.31 175.92 2pkf h ALA 56 N 1.16 0.55 -0.52 2.41 0.00 -1.12 -0.35 119.26 121.39 2pkf h ALA 56 Ca 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2pkf h ALA 56 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2pkf h ALA 56 CO -0.39 0.27 0.34 0.82 0.00 0.00 0.00 179.25 180.29 2pkf h ILE 57 N 0.54 1.13 -0.23 0.00 2.04 -1.07 -1.72 117.51 118.20 2pkf h ILE 57 Ca 0.13 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.76 2pkf h ILE 57 Cb 0.38 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2pkf h ILE 57 CO 0.01 0.13 0.12 1.23 0.00 0.00 0.00 178.15 179.64 2pkf h GLY 58 N 0.70 0.31 0.97 5.37 0.00 -0.82 -0.69 103.07 108.91 2pkf h GLY 58 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2pkf h GLY 58 CO -0.04 0.08 0.57 -2.08 0.00 0.00 0.00 176.54 175.07 2pkf h VAL 59 N 0.26 1.11 0.00 4.60 2.07 -0.80 -0.74 116.25 122.75 2pkf h VAL 59 Ca 0.09 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2pkf h VAL 59 Cb 0.01 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 2pkf h VAL 59 CO -0.05 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.91 2pkf n LEU 60 N -4.46 0.00 0.00 2.57 4.77 -0.67 -4.89 117.00 114.31 2pkf n LEU 60 Ca 0.12 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2pkf n LEU 60 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2pkf n LEU 60 CO 0.34 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2pkf n GLY 61 N 1.01 0.81 3.88 -0.72 0.00 -0.28 -4.75 105.19 105.13 2pkf n GLY 61 Ca 0.23 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.03 1.64 -0.27 -0.02 0.00 -0.30 -5.00 107.32 101.33 2pkf s GLY 62 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 44.72 44.29 2pkf s GLY 62 CO 0.00 0.07 0.66 -0.54 0.00 0.00 0.00 173.10 173.29 2pkf s GLU 63 N -5.20 4.04 -0.09 2.90 0.41 -1.26 -4.42 118.70 115.08 2pkf s GLU 63 Ca 0.55 0.50 -0.08 0.00 -0.41 0.00 0.00 54.97 55.53 2pkf s GLU 63 Cb -0.11 -3.68 0.02 0.00 -1.78 0.00 0.00 34.13 28.58 2pkf s GLU 63 CO 0.52 -0.49 0.23 0.54 -0.49 0.00 0.00 175.26 175.58 2pkf s VAL 64 N 2.60 -0.00 -0.12 2.63 0.11 -1.26 -1.32 120.40 123.04 2pkf s VAL 64 Ca 0.27 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2pkf s VAL 64 Cb -0.15 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2pkf s VAL 64 CO 0.10 0.00 -0.21 0.00 -3.33 0.00 0.00 175.10 171.66 2pkf s ALA 65 N 0.18 2.09 -0.09 1.54 0.00 -0.41 -1.24 121.76 123.83 2pkf s ALA 65 Ca -0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 2pkf s ALA 65 Cb -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2pkf s ALA 65 CO -0.00 0.06 0.82 -1.17 0.00 0.00 0.00 175.76 175.47 2pkf s LEU 66 N 0.70 4.27 -0.36 0.00 2.96 -0.22 -0.82 118.68 125.20 2pkf s LEU 66 Ca -0.11 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.11 2pkf s LEU 66 Cb -0.16 -3.27 0.11 0.00 0.50 0.00 0.00 46.19 43.38 2pkf s LEU 66 CO 0.02 -0.27 0.14 -0.69 -1.32 0.00 0.00 176.35 174.22 2pkf s VAL 67 N 1.41 1.21 0.23 1.68 1.01 0.16 -3.54 120.40 122.58 2pkf s VAL 67 Ca 0.41 -1.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.32 2pkf s VAL 67 Cb -0.18 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.37 2pkf s VAL 67 CO 0.18 -0.74 0.87 0.61 0.00 0.00 0.00 175.10 176.02 2pkf n GLY 68 N 4.35 0.79 3.58 4.51 0.00 -1.25 -3.47 105.19 113.70 2pkf n GLY 68 Ca 0.02 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.96 3.05 0.34 4.61 0.00 -1.26 -0.91 121.76 125.62 2pkf s ALA 69 Ca 0.19 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2pkf s ALA 69 Cb -0.03 -1.37 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 2pkf s ALA 69 CO 0.07 0.48 0.44 0.00 0.00 0.00 0.00 175.76 176.74 2pkf s ALA 70 N -0.49 0.97 0.57 0.00 0.00 0.16 -4.38 121.76 118.59 2pkf s ALA 70 Ca 0.08 -1.62 0.08 0.00 0.00 0.00 0.00 51.96 50.49 2pkf s ALA 70 Cb -0.12 1.22 0.07 0.00 0.00 0.00 0.00 23.12 24.29 2pkf s ALA 70 CO 0.02 -0.77 0.64 0.20 0.00 0.00 0.00 175.76 175.86 2pkf s GLY 71 N -3.26 1.98 0.52 0.00 0.00 -1.26 -0.74 107.32 104.57 2pkf s GLY 71 Ca 0.32 -1.79 0.17 0.00 0.00 0.00 0.00 44.72 43.42 2pkf s GLY 71 CO 0.22 -1.80 2.14 0.00 0.00 0.00 0.00 173.10 173.66 2pkf h ALA 72 N 0.39 1.94 0.00 3.20 0.00 -1.75 -0.03 119.26 123.01 2pkf h ALA 72 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2pkf h ALA 72 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2pkf h ALA 72 CO 0.47 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 2pkf n ASP 73 N -4.47 0.00 0.11 0.00 5.75 -1.26 -2.33 116.55 114.35 2pkf n ASP 73 Ca -0.03 -0.45 0.11 0.00 -0.01 0.00 0.00 54.79 54.42 2pkf n ASP 73 Cb 0.10 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.65 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 -0.91 0.67 -0.21 2.11 7.35 -0.02 -4.24 117.46 122.19 2pkf n PHE 74 Ca 0.08 0.26 -0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2pkf n PHE 74 Cb 0.03 -0.92 0.07 0.00 0.35 0.00 0.00 39.48 39.01 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 2.30 0.47 -0.03 3.13 0.00 -1.69 0.26 119.26 123.69 2pkf h ALA 75 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2pkf h ALA 75 Cb 0.34 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2pkf h ALA 75 CO 0.00 -0.42 -0.45 0.38 0.00 0.00 0.00 179.25 178.76 2pkf h ASP 76 N 0.02 0.07 -0.26 0.00 2.03 -1.89 -1.46 116.42 114.94 2pkf h ASP 76 Ca 0.31 -0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 56.43 2pkf h ASP 76 Cb 0.48 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2pkf h ASP 76 CO -0.62 0.51 -0.41 0.22 -1.03 0.00 0.00 179.24 177.90 2pkf h TYR 77 N 0.06 0.92 -0.42 4.15 -0.00 -1.23 -1.77 116.97 118.68 2pkf h TYR 77 Ca 0.00 -0.31 0.07 0.00 -0.00 0.00 0.00 58.73 58.49 2pkf h TYR 77 Cb 0.81 -0.18 -0.06 0.00 -0.00 0.00 0.00 36.73 37.30 2pkf h TYR 77 CO 0.00 1.10 0.04 -0.09 -0.00 0.00 0.00 178.16 179.21 2pkf h ARG 78 N 0.48 0.15 -0.73 1.82 2.43 -0.31 -0.74 114.38 117.48 2pkf h ARG 78 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2pkf h ARG 78 Cb 1.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 2pkf h ARG 78 CO 0.09 0.10 0.38 -0.44 -1.51 0.00 0.00 179.97 178.60 2pkf h ASP 79 N 0.16 0.93 -0.32 -3.80 3.32 -1.09 0.73 116.42 116.35 2pkf h ASP 79 Ca 0.21 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2pkf h ASP 79 Cb 0.28 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2pkf h ASP 79 CO -0.31 0.78 0.16 -0.25 -1.72 0.00 0.00 179.24 177.89 2pkf h TRP 80 N 1.01 0.29 -0.25 4.55 2.91 -0.87 -2.10 115.95 121.50 2pkf h TRP 80 Ca 0.25 0.01 -0.16 0.00 1.13 0.00 0.00 58.89 60.13 2pkf h TRP 80 Cb 0.07 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.64 2pkf h TRP 80 CO 0.00 0.16 -0.46 -0.07 -1.03 0.00 0.00 178.44 177.04 2pkf h LEU 81 N 0.33 0.85 -1.34 0.65 3.38 -0.71 -3.15 115.31 115.32 2pkf h LEU 81 Ca 0.13 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 2pkf h LEU 81 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2pkf h LEU 81 CO -0.09 1.22 0.07 0.11 0.09 0.00 0.00 178.44 179.84 2pkf h LYS 82 N 0.50 0.52 0.00 1.13 1.57 -0.75 -1.21 116.57 118.32 2pkf h LYS 82 Ca 0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pkf h LYS 82 Cb 1.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2pkf h LYS 82 CO 0.10 0.49 -0.03 0.00 -0.57 0.00 0.00 179.45 179.45 2pkf h ALA 83 N 1.57 1.09 -0.52 3.86 0.00 -1.34 -1.71 119.26 122.21 2pkf h ALA 83 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2pkf h ALA 83 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pkf h ALA 83 CO -0.00 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.83 2pkf n ARG 84 N -3.25 3.88 -0.62 0.00 1.74 -0.52 -4.95 116.66 112.94 2pkf n ARG 84 Ca -0.02 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 2pkf n ARG 84 Cb 0.19 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2pkf n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pkf n GLY 85 N 0.58 0.71 3.71 -0.13 0.00 -0.64 -3.56 105.19 105.86 2pkf n GLY 85 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.21 4.93 -0.26 1.61 1.01 -0.83 -4.58 120.40 120.07 2pkf s VAL 86 Ca 0.00 1.82 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 2pkf s VAL 86 Cb 0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2pkf s VAL 86 CO 0.00 0.17 1.16 0.21 0.00 0.00 0.00 175.10 176.64 2pkf s ASN 87 N 0.95 6.92 -0.07 3.32 3.84 -0.37 -3.96 114.94 125.57 2pkf s ASN 87 Ca 0.46 1.30 0.14 0.00 0.21 0.00 0.00 52.86 54.97 2pkf s ASN 87 Cb -0.19 -2.54 0.45 0.00 -0.55 0.00 0.00 41.25 38.41 2pkf s ASN 87 CO 0.23 -0.85 1.37 0.00 -2.79 0.00 0.00 177.10 175.06 2pkf h ASP 89 N 2.33 0.00 -0.35 0.00 3.32 -1.91 -2.45 116.42 117.36 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 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2pkf h ASP 89 CO 0.10 0.04 0.00 1.41 -1.72 0.00 0.00 179.24 179.08 2pkf n HIS 90 N -3.33 1.16 -2.66 4.55 8.25 -1.26 -4.87 115.22 117.06 2pkf n HIS 90 Ca -0.02 -0.81 -0.43 0.00 -0.26 0.00 0.00 57.72 56.20 2pkf n HIS 90 Cb 0.19 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 30.95 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 -2.63 4.66 0.02 1.59 1.01 -0.93 -3.93 120.40 120.19 2pkf s VAL 91 Ca 0.44 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 64.11 2pkf s VAL 91 Cb 0.34 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2pkf s VAL 91 CO 0.11 -0.21 1.17 -0.22 0.00 0.00 0.00 175.10 175.96 2pkf s LEU 92 N 3.24 4.35 -0.30 3.92 0.20 -0.09 -4.92 118.68 125.08 2pkf s LEU 92 Ca 0.44 1.92 -0.08 0.00 0.69 0.00 0.00 54.13 57.10 2pkf s LEU 92 Cb -0.15 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.04 2pkf s LEU 92 CO 0.07 -0.47 0.10 -0.63 -0.29 0.00 0.00 176.35 175.13 2pkf s ILE 93 N 1.35 4.18 0.50 6.68 -1.09 -1.26 -0.66 121.20 130.90 2pkf s ILE 93 Ca 0.57 -0.59 -0.23 0.00 -2.23 0.00 0.00 60.65 58.17 2pkf s ILE 93 Cb -0.27 -3.14 -0.06 0.00 -1.58 0.00 0.00 42.46 37.40 2pkf s ILE 93 CO 0.27 0.08 1.33 -0.55 -1.23 0.00 0.00 174.94 174.84 2pkf s SER 94 N 1.54 5.65 0.44 3.58 0.15 0.08 -4.92 113.70 120.22 2pkf s SER 94 Ca 0.03 2.69 0.23 0.00 0.70 0.00 0.00 55.95 59.60 2pkf s SER 94 Cb -0.17 -2.63 0.38 0.00 -1.71 0.00 0.00 66.02 61.89 2pkf s SER 94 CO 0.04 -1.31 1.62 -0.33 1.20 0.00 0.00 173.24 174.46 2pkf h GLU 95 N 1.84 0.00 0.00 5.44 5.08 -1.98 -3.39 114.58 121.57 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 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2pkf h GLU 95 CO 0.59 0.02 -0.66 0.25 -1.00 0.00 0.00 179.01 178.21 2pkf n THR 96 N -3.11 0.00 -3.85 1.13 -2.24 -1.26 -5.06 114.28 99.90 2pkf n THR 96 Ca 0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.54 2pkf n THR 96 Cb 0.53 -0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.66 3.93 0.69 6.98 0.00 -1.26 -5.09 121.76 125.35 2pkf s ALA 97 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2pkf s ALA 97 Cb 0.00 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.31 2pkf s ALA 97 CO 0.00 0.59 0.98 -1.01 0.00 0.00 0.00 175.76 176.32 2pkf s HIS 98 N -1.71 2.59 0.37 0.00 0.09 -1.26 -4.19 115.29 111.18 2pkf s HIS 98 Ca 0.36 0.22 -0.28 0.00 -0.00 0.00 0.00 55.06 55.36 2pkf s HIS 98 Cb -0.12 -3.14 -0.11 0.00 -0.00 0.00 0.00 32.58 29.22 2pkf s HIS 98 CO 0.28 -1.44 1.47 0.99 -0.00 0.00 0.00 174.74 176.05 2pkf s THR 99 N -3.17 2.12 0.38 1.30 2.01 -1.26 -0.84 115.64 116.18 2pkf s THR 99 Ca 0.62 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.49 2pkf s THR 99 Cb -0.09 -3.08 -0.12 0.00 0.01 0.00 0.00 72.50 69.22 2pkf s THR 99 CO 0.44 0.03 0.81 0.00 -0.69 0.00 0.00 174.62 175.21 2pkf n ALA 100 N 0.59 -0.70 -3.70 7.40 0.00 -1.26 -4.75 120.51 118.10 2pkf n ALA 100 Ca 0.01 0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.58 2pkf n ALA 100 Cb 0.39 -1.93 -0.12 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.71 0.26 -0.20 0.00 3.52 0.13 -2.04 118.95 118.91 2pkf s ARG 101 Ca 0.63 0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 56.80 2pkf s ARG 101 Cb -0.62 -0.05 -0.05 0.00 -1.56 0.00 0.00 34.95 32.67 2pkf s ARG 101 CO 0.58 -0.19 0.13 0.12 -0.81 0.00 0.00 175.30 175.13 2pkf s PHE 102 N 1.60 3.41 -0.05 5.12 5.36 -0.36 -0.39 117.98 132.68 2pkf s PHE 102 Ca -0.07 0.34 0.05 0.00 -0.96 0.00 0.00 56.93 56.29 2pkf s PHE 102 Cb -0.10 -2.16 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 2pkf s PHE 102 CO -0.10 0.29 -0.21 0.99 -1.46 0.00 0.00 175.22 174.73 2pkf s THR 103 N 0.35 1.72 -0.07 0.12 2.01 0.02 -0.46 115.64 119.34 2pkf s THR 103 Ca 0.08 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 2pkf s THR 103 Cb -0.11 -1.46 0.04 0.00 0.01 0.00 0.00 72.50 70.98 2pkf s THR 103 CO -0.02 0.49 0.16 0.00 -0.69 0.00 0.00 174.62 174.56 2pkf s THR 105 N 1.23 3.71 -0.07 0.00 2.01 -0.29 -0.76 115.64 121.46 2pkf s THR 105 Ca -0.09 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.55 2pkf s THR 105 Cb -0.11 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 2pkf s THR 105 CO -0.06 0.48 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.21 2pkf s THR 106 N 0.54 2.05 0.45 -0.82 2.01 -0.45 -1.11 115.64 118.30 2pkf s THR 106 Ca -0.04 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 60.95 2pkf s THR 106 Cb -0.15 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.70 2pkf s THR 106 CO 0.03 0.57 0.62 -0.90 -0.69 0.00 0.00 174.62 174.24 2pkf n ASP 107 N 3.05 1.33 0.27 3.53 5.68 -0.47 -0.78 116.55 129.17 2pkf n ASP 107 Ca -0.18 -2.00 0.15 0.00 -0.50 0.00 0.00 54.79 52.26 2pkf n ASP 107 Cb 0.52 -0.35 0.76 0.00 -1.14 0.00 0.00 41.12 40.91 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 -0.13 0.37 -0.63 2.12 3.04 -1.15 -1.20 116.25 118.68 2pkf h VAL 108 Ca -0.21 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.96 2pkf h VAL 108 Cb 0.88 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 2pkf h VAL 108 CO 0.27 0.09 0.00 0.47 -1.01 0.00 0.00 177.57 177.39 2pkf n ASP 109 N -3.42 3.51 -0.62 3.17 8.00 -1.26 -4.93 116.55 120.99 2pkf n ASP 109 Ca -0.01 -2.05 -0.08 0.00 0.71 0.00 0.00 54.79 53.36 2pkf n ASP 109 Cb 0.25 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.31 -0.74 -1.81 -1.24 2.81 -0.45 -5.02 117.12 111.98 2pkf n MET 110 Ca 0.21 0.74 -0.35 0.00 -1.81 0.00 0.00 57.70 56.49 2pkf n MET 110 Cb 0.57 -4.62 0.05 0.00 -0.71 0.00 0.00 33.22 28.51 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 -2.21 2.42 0.01 3.04 0.00 -1.26 -4.80 121.76 118.96 2pkf s ALA 111 Ca 0.00 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2pkf s ALA 111 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2pkf s ALA 111 CO 0.00 -1.36 -0.04 -0.65 0.00 0.00 0.00 175.76 173.72 2pkf s GLN 112 N -3.67 0.29 -0.17 0.00 -0.21 -1.26 -1.36 119.66 113.27 2pkf s GLN 112 Ca 0.74 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.73 2pkf s GLN 112 Cb -0.27 -0.11 0.05 0.00 1.00 0.00 0.00 33.01 33.68 2pkf s GLN 112 CO 0.38 0.02 -0.02 0.42 -2.12 0.00 0.00 175.29 173.97 2pkf s ILE 113 N -0.75 0.89 0.15 1.08 1.01 -0.27 -4.99 121.20 118.31 2pkf s ILE 113 Ca -0.07 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.11 2pkf s ILE 113 Cb -0.05 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2pkf s ILE 113 CO -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 174.94 174.78 2pkf s ALA 114 N 1.72 1.97 0.03 9.38 0.00 -1.26 -1.14 121.76 132.45 2pkf s ALA 114 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.46 2pkf s ALA 114 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2pkf s ALA 114 CO -0.07 0.26 0.09 -1.54 0.00 0.00 0.00 175.76 174.50 2pkf s SER 115 N -2.52 0.14 -0.08 0.00 1.04 0.31 -4.99 113.70 107.60 2pkf s SER 115 Ca 0.14 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2pkf s SER 115 Cb -0.06 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.27 2pkf s SER 115 CO 0.06 -0.44 -0.15 0.12 0.98 0.00 0.00 173.24 173.81 2pkf s PHE 116 N -2.11 1.80 -0.34 5.02 5.36 -1.26 -0.80 117.98 125.65 2pkf s PHE 116 Ca -0.09 -0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 55.09 2pkf s PHE 116 Cb -0.04 -1.28 0.04 0.00 -0.34 0.00 0.00 43.02 41.40 2pkf s PHE 116 CO -0.02 -0.35 0.10 -0.47 -1.46 0.00 0.00 175.22 173.01 2pkf s TYR 117 N 0.68 3.26 0.39 10.12 5.04 0.48 -5.00 117.35 132.32 2pkf s TYR 117 Ca -0.13 -1.45 0.18 0.00 -2.44 0.00 0.00 57.07 53.22 2pkf s TYR 117 Cb -0.16 -2.27 1.00 0.00 0.35 0.00 0.00 41.96 40.88 2pkf s TYR 117 CO 0.04 -0.73 1.93 -1.35 -1.34 0.00 0.00 175.55 174.10 2pkf h PRO 118 N 8.21 0.00 0.00 4.97 0.11 -1.94 0.40 132.00 143.75 2pkf h PRO 118 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2pkf h PRO 118 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pkf h PRO 118 CO 0.60 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2pkf n GLY 119 N -0.63 2.97 0.00 -0.55 0.00 -1.26 -1.76 105.19 103.95 2pkf n GLY 119 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2pkf n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pkf n ALA 120 N 9.24 2.11 -0.36 4.61 0.00 -0.02 -4.11 120.51 131.98 2pkf n ALA 120 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2pkf n ALA 120 Cb 0.00 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 18.32 2pkf n ALA 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 2pkf h MET 121 N 0.00 1.04 0.00 0.00 -1.53 -1.55 -0.67 114.93 112.22 2pkf h MET 121 Ca 0.00 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.19 2pkf h MET 121 Cb 0.17 -0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 30.98 2pkf h MET 121 CO 0.00 0.69 -0.04 0.66 0.14 0.00 0.00 176.91 178.36 2pkf h SER 122 N 1.07 0.00 0.47 1.39 4.64 -1.81 -1.52 113.55 117.79 2pkf h SER 122 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2pkf h SER 122 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2pkf h SER 122 CO -0.22 0.04 0.00 -0.62 -0.87 0.00 0.00 176.83 175.15 2pkf n GLU 123 N -3.30 0.13 0.31 4.77 1.02 -0.26 -2.73 120.64 120.58 2pkf n GLU 123 Ca -0.02 0.16 0.17 0.00 -0.02 0.00 0.00 57.16 57.45 2pkf n GLU 123 Cb 0.18 -1.50 1.00 0.00 -0.02 0.00 0.00 31.44 31.10 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 2.73 1.39 0.00 0.62 0.00 -1.39 -0.48 119.26 122.13 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 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pkf h ALA 124 CO 0.00 -0.01 0.00 0.07 0.00 0.00 0.00 179.25 179.31 2pkf h ARG 125 N 0.00 0.00 -0.02 0.00 0.11 -1.75 -2.06 114.38 110.65 2pkf h ARG 125 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pkf h ARG 125 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2pkf h ARG 125 CO -0.00 0.00 -0.05 0.09 0.10 0.00 0.00 179.97 180.11 2pkf n ASN 126 N -2.35 2.14 -4.71 0.08 3.02 -0.19 -4.87 115.26 108.38 2pkf n ASN 126 Ca -0.00 -1.67 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 2pkf n ASN 126 Cb 0.12 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.07 4.74 -0.25 2.41 1.01 -0.78 -5.04 121.20 121.22 2pkf s ILE 127 Ca 0.31 1.97 -0.08 0.00 0.00 0.00 0.00 60.65 62.85 2pkf s ILE 127 Cb 0.20 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2pkf s ILE 127 CO 0.35 0.13 0.10 -0.54 0.00 0.00 0.00 174.94 174.99 2pkf s LYS 128 N 1.14 3.76 0.52 2.79 -0.14 -1.26 -4.93 119.74 121.63 2pkf s LYS 128 Ca 0.53 -0.42 0.27 0.00 -1.36 0.00 0.00 55.97 54.98 2pkf s LYS 128 Cb -0.22 -3.41 1.43 0.00 -1.68 0.00 0.00 37.83 33.96 2pkf s LYS 128 CO 0.27 -0.15 2.07 -0.07 -0.76 0.00 0.00 175.35 176.71 2pkf h LEU 129 N 8.14 0.00 -1.61 3.17 3.38 -1.96 -1.95 115.31 124.47 2pkf h LEU 129 Ca -0.37 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.72 2pkf h LEU 129 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 2pkf h LEU 129 CO 0.58 0.12 0.44 0.00 0.09 0.00 0.00 178.44 179.67 2pkf h ALA 130 N 1.88 2.06 -0.03 1.53 0.00 -1.95 -0.60 119.26 122.15 2pkf h ALA 130 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2pkf h ALA 130 Cb 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2pkf h ALA 130 CO 0.02 -0.22 -0.58 -0.44 0.00 0.00 0.00 179.25 178.03 2pkf h ASP 131 N 0.41 0.10 -0.07 0.00 3.32 -1.78 -0.81 116.42 117.60 2pkf h ASP 131 Ca 0.31 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 2pkf h ASP 131 Cb 0.66 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 2pkf h ASP 131 CO -0.09 0.66 -0.05 0.58 -1.72 0.00 0.00 179.24 178.62 2pkf h VAL 132 N 0.07 1.34 -0.71 -1.35 2.07 -1.24 -2.86 116.25 113.56 2pkf h VAL 132 Ca -0.00 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.48 2pkf h VAL 132 Cb 1.05 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 2pkf h VAL 132 CO 0.08 0.31 0.39 0.58 0.02 0.00 0.00 177.57 178.95 2pkf h VAL 133 N -0.23 0.93 -0.24 2.57 2.07 -1.03 -0.99 116.25 119.34 2pkf h VAL 133 Ca 0.02 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2pkf h VAL 133 Cb 0.51 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2pkf h VAL 133 CO 0.01 0.13 0.12 0.28 0.02 0.00 0.00 177.57 178.13 2pkf h SER 134 N 0.69 0.28 0.25 0.57 0.02 -1.16 0.56 113.55 114.76 2pkf h SER 134 Ca 0.33 -0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.92 2pkf h SER 134 Cb 0.26 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2pkf h SER 134 CO -0.22 0.24 -1.77 0.00 -1.14 0.00 0.00 176.83 173.95 2pkf h ALA 135 N 1.80 0.30 0.00 3.77 0.00 -1.06 -3.42 119.26 120.66 2pkf h ALA 135 Ca 0.08 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.77 2pkf h ALA 135 Cb 0.03 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2pkf h ALA 135 CO -0.01 1.17 0.00 0.44 0.00 0.00 0.00 179.25 180.85 2pkf n ILE 136 N -3.49 0.02 0.00 0.00 -5.35 -0.47 -5.11 119.36 104.95 2pkf n ILE 136 Ca -0.24 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 2pkf n ILE 136 Cb 1.06 1.44 0.00 0.00 -1.74 0.00 0.00 39.64 40.40 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 -0.01 -0.05 3.67 3.28 0.00 0.19 -4.89 105.19 107.38 2pkf n GLY 137 Ca 0.00 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.47 4.22 0.70 1.61 1.02 -1.26 -4.18 119.74 120.38 2pkf s LYS 138 Ca 0.00 2.07 -0.16 0.00 0.02 0.00 0.00 55.97 57.90 2pkf s LYS 138 Cb 0.00 -3.77 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2pkf s LYS 138 CO 0.00 -0.72 1.26 -2.14 -0.92 0.00 0.00 175.35 172.83 2pkf s PRO 139 N 3.23 2.24 0.47 -1.68 0.02 -1.26 -4.72 135.00 133.29 2pkf s PRO 139 Ca 0.68 1.95 0.27 0.00 0.02 0.00 0.00 61.00 63.92 2pkf s PRO 139 Cb -0.32 -1.82 0.75 0.00 0.02 0.00 0.00 34.50 33.12 2pkf s PRO 139 CO 0.27 -1.81 1.76 1.05 -0.33 0.00 0.00 177.00 177.94 2pkf h GLU 140 N 0.04 0.00 -2.08 5.54 4.11 -1.40 -3.44 114.58 117.36 2pkf h GLU 140 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 2pkf h GLU 140 Cb 1.32 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 2pkf h GLU 140 CO 0.51 0.00 0.11 -1.17 0.07 0.00 0.00 179.01 178.52 2pkf s LEU 141 N -6.11 -0.61 -0.21 3.06 2.96 -1.25 -4.57 118.68 111.95 2pkf s LEU 141 Ca 0.05 1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 2pkf s LEU 141 Cb 0.07 2.38 0.01 0.00 0.50 0.00 0.00 46.19 49.15 2pkf s LEU 141 CO 0.62 -0.32 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.51 2pkf s VAL 142 N -0.00 2.65 -0.15 1.68 1.01 -0.19 -1.09 120.40 124.30 2pkf s VAL 142 Ca -0.03 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2pkf s VAL 142 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 2pkf s VAL 142 CO 0.03 0.41 0.83 -0.63 0.00 0.00 0.00 175.10 175.75 2pkf s ILE 143 N 1.35 4.89 -1.06 2.22 1.01 0.17 -0.81 121.20 128.98 2pkf s ILE 143 Ca 0.04 1.65 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 2pkf s ILE 143 Cb -0.14 -4.14 0.24 0.00 0.01 0.00 0.00 42.46 38.43 2pkf s ILE 143 CO -0.08 0.05 1.09 -0.63 0.00 0.00 0.00 174.94 175.37 2pkf s ILE 144 N 1.97 5.71 0.78 2.92 -1.09 0.78 -0.89 121.20 131.40 2pkf s ILE 144 Ca 0.39 -3.01 -0.12 0.00 -2.23 0.00 0.00 60.65 55.69 2pkf s ILE 144 Cb -0.17 -4.63 0.06 0.00 -1.58 0.00 0.00 42.46 36.14 2pkf s ILE 144 CO 0.14 -1.23 1.13 -0.83 -1.23 0.00 0.00 174.94 172.92 2pkf s GLY 145 N 1.85 1.61 0.28 6.18 0.00 -0.33 -1.52 107.32 115.38 2pkf s GLY 145 Ca 0.30 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 2pkf s GLY 145 CO -0.07 -0.02 1.31 0.00 0.00 0.00 0.00 173.10 174.32 2pkf n ALA 146 N -3.28 0.93 -3.78 3.20 0.00 -1.06 -4.44 120.51 112.09 2pkf n ALA 146 Ca 0.07 0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.96 2pkf n ALA 146 Cb 0.59 -2.23 0.02 0.00 0.00 0.00 0.00 19.45 17.83 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 1.58 -1.69 -4.65 0.00 2.85 -1.26 -0.89 115.26 111.20 2pkf n ASN 147 Ca 0.09 -1.97 -0.61 0.00 -0.11 0.00 0.00 54.58 51.98 2pkf n ASN 147 Cb 0.33 2.77 -0.08 0.00 1.24 0.00 0.00 39.78 44.03 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 -1.29 1.17 -0.20 1.20 2.03 -1.26 -4.84 116.55 113.36 2pkf n ASP 148 Ca -0.03 1.15 -0.00 0.00 0.52 0.00 0.00 54.79 56.42 2pkf n ASP 148 Cb 0.53 -0.99 0.10 0.00 -0.72 0.00 0.00 41.12 40.04 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 4.84 0.38 -0.88 -0.67 0.11 -1.98 -1.69 132.00 132.12 2pkf h PRO 149 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2pkf h PRO 149 Cb 1.37 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2pkf h PRO 149 CO 0.86 0.25 0.58 1.49 -0.21 0.00 0.00 178.00 180.97 2pkf h GLU 150 N 0.39 1.15 -0.87 1.05 4.81 -1.97 -1.97 114.58 117.17 2pkf h GLU 150 Ca 0.30 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2pkf h GLU 150 Cb 0.38 -0.26 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 2pkf h GLU 150 CO -0.31 0.76 0.57 0.00 -0.73 0.00 0.00 179.01 179.30 2pkf h ALA 151 N 1.33 1.13 -0.50 2.92 0.00 -1.66 0.01 119.26 122.49 2pkf h ALA 151 Ca 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2pkf h ALA 151 Cb -0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.32 2pkf h ALA 151 CO -0.08 0.45 0.29 0.52 0.00 0.00 0.00 179.25 180.43 2pkf h MET 152 N 1.13 0.57 -0.11 0.00 2.86 -0.60 0.13 114.93 118.91 2pkf h MET 152 Ca 0.34 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2pkf h MET 152 Cb -0.05 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 2pkf h MET 152 CO -0.10 0.38 -0.01 0.74 1.06 0.00 0.00 176.91 178.98 2pkf h PHE 153 N 0.59 0.22 -0.65 -0.22 0.04 -1.04 -2.01 116.94 113.87 2pkf h PHE 153 Ca 0.20 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 2pkf h PHE 153 Cb 0.03 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 2pkf h PHE 153 CO -0.07 0.48 0.34 -0.07 -0.60 0.00 0.00 178.31 178.38 2pkf h LEU 154 N -0.10 0.83 -0.52 1.54 3.38 -0.80 -0.20 115.31 119.45 2pkf h LEU 154 Ca 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2pkf h LEU 154 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2pkf h LEU 154 CO 0.01 0.71 0.26 0.45 0.09 0.00 0.00 178.44 179.95 2pkf h HIS 155 N 0.89 0.73 -0.12 1.13 3.86 -0.73 0.51 115.15 121.43 2pkf h HIS 155 Ca 0.23 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2pkf h HIS 155 Cb 0.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2pkf h HIS 155 CO -0.00 0.57 0.05 1.15 0.86 0.00 0.00 177.93 180.56 2pkf h THR 156 N 0.69 1.14 -0.80 2.45 2.02 -0.98 0.00 112.91 117.43 2pkf h THR 156 Ca 0.18 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2pkf h THR 156 Cb 0.10 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 2pkf h THR 156 CO -0.02 0.13 0.47 -0.33 0.37 0.00 0.00 175.52 176.14 2pkf h GLU 157 N 0.04 1.09 -0.40 6.66 4.39 -0.92 -1.90 114.58 123.55 2pkf h GLU 157 Ca 0.04 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2pkf h GLU 157 Cb 0.16 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2pkf h GLU 157 CO -0.00 0.77 -0.22 1.49 -1.16 0.00 0.00 179.01 179.89 2pkf h GLU 158 N 1.11 0.80 -0.48 2.33 4.81 -0.60 -0.90 114.58 121.65 2pkf h GLU 158 Ca 0.29 -0.32 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 2pkf h GLU 158 Cb -0.03 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.27 2pkf h GLU 158 CO -0.05 0.94 0.23 0.00 -0.73 0.00 0.00 179.01 179.40 2pkf h ARG 160 N 0.45 0.88 -0.86 0.00 3.08 -1.00 0.96 114.38 117.88 2pkf h ARG 160 Ca 0.22 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2pkf h ARG 160 Cb 0.15 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 2pkf h ARG 160 CO -0.17 0.67 0.57 -0.22 -1.07 0.00 0.00 179.97 179.75 2pkf h LYS 161 N 0.86 1.12 -0.16 0.04 3.64 -0.67 -2.85 116.57 118.55 2pkf h LYS 161 Ca 0.22 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2pkf h LYS 161 Cb 0.04 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2pkf h LYS 161 CO -0.04 0.74 0.00 1.28 -2.27 0.00 0.00 179.45 179.17 2pkf n LEU 162 N -4.41 2.67 -1.82 5.20 4.77 -0.18 -4.95 117.00 118.28 2pkf n LEU 162 Ca 0.10 -1.02 -0.14 0.00 -0.03 0.00 0.00 56.01 54.92 2pkf n LEU 162 Cb 0.03 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.04 2pkf n LEU 162 CO 0.36 0.51 -0.07 0.61 -1.33 0.00 0.00 177.39 177.47 2pkf n GLY 163 N 1.33 -0.14 3.83 -0.72 0.00 -0.47 -5.01 105.19 104.02 2pkf n GLY 163 Ca 0.17 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.23 4.40 0.28 0.99 1.43 0.21 -5.03 118.68 116.73 2pkf s LEU 164 Ca 0.11 0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 2pkf s LEU 164 Cb -0.05 -2.35 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 2pkf s LEU 164 CO 0.14 0.32 1.23 0.00 0.23 0.00 0.00 176.35 178.26 2pkf s ALA 165 N -0.77 3.47 0.07 4.21 0.00 -1.26 -4.51 121.76 122.96 2pkf s ALA 165 Ca 0.19 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.25 2pkf s ALA 165 Cb -0.14 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2pkf s ALA 165 CO 0.08 -0.43 -0.07 -0.59 0.00 0.00 0.00 175.76 174.74 2pkf s PHE 166 N -0.85 0.80 -0.23 0.00 -0.12 -1.26 -1.02 117.98 115.30 2pkf s PHE 166 Ca 0.49 -0.70 -0.06 0.00 -0.05 0.00 0.00 56.93 56.62 2pkf s PHE 166 Cb -0.36 -0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 2pkf s PHE 166 CO 0.45 -0.11 0.02 0.00 -0.05 0.00 0.00 175.22 175.53 2pkf s ALA 167 N -2.45 3.03 -0.31 1.99 0.00 0.01 -0.68 121.76 123.34 2pkf s ALA 167 Ca 0.01 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 2pkf s ALA 167 Cb -0.03 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2pkf s ALA 167 CO -0.02 -0.41 1.27 0.00 0.00 0.00 0.00 175.76 176.60 2pkf s ALA 168 N 1.46 3.37 -0.41 0.00 0.00 0.16 -0.15 121.76 126.19 2pkf s ALA 168 Ca 0.05 0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.18 2pkf s ALA 168 Cb -0.15 -3.77 0.35 0.00 0.00 0.00 0.00 23.12 19.56 2pkf s ALA 168 CO 0.01 -1.76 0.79 -3.47 0.00 0.00 0.00 175.76 171.33 2pkf n ASP 169 N 7.55 1.63 0.11 0.00 2.03 -0.58 -1.41 116.55 125.89 2pkf n ASP 169 Ca 0.14 -3.14 0.13 0.00 0.52 0.00 0.00 54.79 52.44 2pkf n ASP 169 Cb 0.47 -0.60 0.43 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.15 0.24 0.00 -0.67 -0.04 -1.25 -2.55 135.00 130.89 2pkf n PRO 170 Ca 0.26 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2pkf n PRO 170 Cb 0.61 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.26 0.00 0.31 3.54 3.41 -1.26 -1.04 113.62 116.31 2pkf n SER 171 Ca 0.05 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.85 2pkf n SER 171 Cb 0.37 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.25 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 4.20 -2.00 -2.27 115.11 119.37 2pkf h GLN 172 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pkf h GLN 172 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2pkf h GLN 172 CO 0.00 0.00 0.00 1.96 -0.67 0.00 0.00 178.83 180.12 2pkf h GLN 173 N 0.00 0.00 -0.58 1.46 1.08 -1.49 -3.08 115.11 112.50 2pkf h GLN 173 Ca -0.00 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 2pkf h GLN 173 Cb 0.29 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 2pkf h GLN 173 CO 0.00 0.00 0.39 -0.07 -0.95 0.00 0.00 178.83 178.20 2pkf h LEU 174 N 0.00 0.43 -0.50 1.46 3.38 -1.52 -0.30 115.31 118.26 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 0.48 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2pkf h LEU 174 CO 0.00 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.80 2pkf n ALA 175 N -2.50 1.78 -0.06 1.53 0.00 -1.16 -3.46 120.51 116.64 2pkf n ALA 175 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 2pkf n ALA 175 Cb 0.29 -1.39 -0.10 0.00 0.00 0.00 0.00 19.45 18.25 2pkf n ALA 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pkf n ARG 176 N -2.16 1.76 -3.20 0.00 5.12 -0.25 -5.02 116.66 112.91 2pkf n ARG 176 Ca 0.03 -0.02 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 2pkf n ARG 176 Cb 0.26 -1.33 -0.05 0.00 -1.16 0.00 0.00 32.46 30.18 2pkf n ARG 176 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pkf s LEU 177 N -4.88 4.05 0.76 0.55 1.43 -0.47 -5.08 118.68 115.04 2pkf s LEU 177 Ca -0.06 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 2pkf s LEU 177 Cb 0.04 -3.85 0.05 0.00 0.03 0.00 0.00 46.19 42.46 2pkf s LEU 177 CO 0.54 -0.20 1.09 -0.94 0.23 0.00 0.00 176.35 177.07 2pkf s SER 178 N -2.61 4.86 0.23 2.29 1.04 -1.26 -4.82 113.70 113.42 2pkf s SER 178 Ca 0.50 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 58.17 2pkf s SER 178 Cb -0.11 -2.08 0.36 0.00 0.10 0.00 0.00 66.02 64.30 2pkf s SER 178 CO 0.23 -1.74 1.74 1.23 0.98 0.00 0.00 173.24 175.69 2pkf h GLY 179 N -0.93 1.02 0.94 7.32 0.00 -1.95 0.13 103.07 109.61 2pkf h GLY 179 Ca -0.46 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 46.74 2pkf h GLY 179 CO 0.60 -0.04 0.45 -2.09 0.00 0.00 0.00 176.54 175.46 2pkf h GLU 180 N 0.46 0.87 -0.50 4.80 4.81 -1.91 -0.46 114.58 122.65 2pkf h GLU 180 Ca 0.36 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.42 2pkf h GLU 180 Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2pkf h GLU 180 CO -0.34 0.58 -0.13 0.93 -0.73 0.00 0.00 179.01 179.32 2pkf h GLU 181 N 0.90 0.97 -0.42 1.92 5.08 -1.73 -2.84 114.58 118.45 2pkf h GLU 181 Ca 0.26 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2pkf h GLU 181 Cb -0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2pkf h GLU 181 CO -0.08 1.05 0.10 0.82 -1.00 0.00 0.00 179.01 179.90 2pkf h ILE 182 N 0.83 1.23 -0.99 3.13 2.04 -0.68 -2.69 117.51 120.39 2pkf h ILE 182 Ca 0.13 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.30 2pkf h ILE 182 Cb 0.69 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 2pkf h ILE 182 CO 0.05 0.28 0.63 0.03 0.00 0.00 0.00 178.15 179.14 2pkf h ARG 183 N 0.55 0.96 0.00 2.37 3.08 -1.03 -1.23 114.38 119.08 2pkf h ARG 183 Ca 0.13 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2pkf h ARG 183 Cb 0.31 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2pkf h ARG 183 CO 0.00 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 2pkf h ARG 184 N 0.99 0.00 0.00 0.04 3.08 -1.24 -2.31 114.38 114.95 2pkf h ARG 184 Ca 0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.52 2pkf h ARG 184 Cb 0.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 2pkf h ARG 184 CO -0.24 0.00 -0.83 -0.07 -1.07 0.00 0.00 179.97 177.76 2pkf h LEU 185 N 0.00 0.00 0.04 3.04 3.38 -1.10 -3.41 115.31 117.27 2pkf h LEU 185 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2pkf h LEU 185 Cb 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2pkf h LEU 185 CO 0.00 0.02 -2.29 0.52 0.09 0.00 0.00 178.44 176.77 2pkf n VAL 186 N -2.76 1.59 -1.70 1.22 0.31 -0.89 -4.70 118.33 111.41 2pkf n VAL 186 Ca 0.00 -0.62 -0.43 0.00 -0.01 0.00 0.00 64.34 63.29 2pkf n VAL 186 Cb 0.56 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 2pkf n VAL 186 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pkf n ASN 187 N -3.31 3.90 0.00 4.52 5.15 -1.10 -1.69 115.26 122.72 2pkf n ASN 187 Ca -0.40 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.60 2pkf n ASN 187 Cb 1.02 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 2pkf n ASN 187 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pkf n GLY 188 N 4.06 0.71 3.76 8.20 0.00 0.01 -5.03 105.19 116.90 2pkf n GLY 188 Ca 0.17 0.00 -0.41 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 -2.70 3.54 0.28 4.61 0.00 -0.68 -4.78 121.76 122.03 2pkf s ALA 189 Ca 0.00 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.27 2pkf s ALA 189 Cb 0.00 -3.50 0.40 0.00 0.00 0.00 0.00 23.12 20.01 2pkf s ALA 189 CO 0.00 -0.67 1.69 0.00 0.00 0.00 0.00 175.76 176.78 2pkf h ALA 190 N 4.05 1.06 -3.42 0.00 0.00 -1.26 -1.27 119.26 118.43 2pkf h ALA 190 Ca -0.48 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 53.84 2pkf h ALA 190 Cb 1.22 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.65 2pkf h ALA 190 CO 0.70 0.59 -0.67 0.71 0.00 0.00 0.00 179.25 180.58 2pkf s TYR 191 N -4.29 0.04 -0.19 0.00 2.02 -1.20 -2.94 117.35 110.80 2pkf s TYR 191 Ca -0.06 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2pkf s TYR 191 Cb 0.13 -0.04 0.00 0.00 -0.40 0.00 0.00 41.96 41.65 2pkf s TYR 191 CO 0.79 -0.08 -0.13 -1.17 -1.57 0.00 0.00 175.55 173.39 2pkf s LEU 192 N -0.45 2.51 -0.14 -1.29 2.96 -0.46 -0.66 118.68 121.15 2pkf s LEU 192 Ca -0.05 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2pkf s LEU 192 Cb -0.03 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2pkf s LEU 192 CO -0.00 0.02 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.63 2pkf s PHE 193 N 1.19 2.97 0.26 5.38 0.08 -0.50 -0.55 117.98 126.81 2pkf s PHE 193 Ca 0.02 -0.35 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 2pkf s PHE 193 Cb -0.14 -1.91 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 2pkf s PHE 193 CO -0.05 -0.05 0.50 0.95 -0.10 0.00 0.00 175.22 176.47 2pkf s THR 194 N 0.26 0.00 0.85 0.64 -4.23 -0.79 -4.37 115.64 107.99 2pkf s THR 194 Ca -0.05 -1.40 -0.07 0.00 -1.18 0.00 0.00 61.69 59.00 2pkf s THR 194 Cb -0.14 -2.28 0.18 0.00 1.34 0.00 0.00 72.50 71.60 2pkf s THR 194 CO 0.04 0.00 1.16 -0.46 -0.54 0.00 0.00 174.62 174.81 2pkf n ASN 195 N -0.54 0.89 -0.08 3.99 0.23 -1.26 -1.20 115.26 117.28 2pkf n ASN 195 Ca -0.02 -1.91 -0.10 0.00 -0.53 0.00 0.00 54.58 52.02 2pkf n ASN 195 Cb 0.62 -0.81 0.04 0.00 -2.08 0.00 0.00 39.78 37.54 2pkf n ASN 195 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2pkf h ASP 196 N -1.07 0.85 -0.40 0.53 2.03 -1.40 -1.14 116.42 115.82 2pkf h ASP 196 Ca -0.38 -0.37 0.01 0.00 -0.73 0.00 0.00 57.03 55.56 2pkf h ASP 196 Cb 1.24 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 2pkf h ASP 196 CO 0.34 1.11 0.26 0.22 -1.03 0.00 0.00 179.24 180.15 2pkf h TYR 197 N 0.67 0.49 -0.18 4.15 3.20 -1.96 -2.17 116.97 121.17 2pkf h TYR 197 Ca 0.07 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.84 2pkf h TYR 197 Cb 0.90 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 2pkf h TYR 197 CO 0.05 0.30 -0.34 0.93 -1.64 0.00 0.00 178.16 177.46 2pkf h GLU 198 N 0.52 0.38 -0.20 1.82 5.08 -1.91 -1.42 114.58 118.85 2pkf h GLU 198 Ca 0.15 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2pkf h GLU 198 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2pkf h GLU 198 CO -0.04 0.68 0.04 2.35 -1.00 0.00 0.00 179.01 181.04 2pkf h TRP 199 N 0.33 0.34 -0.75 4.33 2.91 -0.97 0.22 115.95 122.35 2pkf h TRP 199 Ca 0.04 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 2pkf h TRP 199 Cb 0.76 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.28 2pkf h TRP 199 CO 0.02 0.45 0.36 -0.44 -1.03 0.00 0.00 178.44 177.80 2pkf h ASP 200 N 0.13 0.98 -0.15 2.65 3.32 -1.23 -1.88 116.42 120.23 2pkf h ASP 200 Ca 0.06 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2pkf h ASP 200 Cb 0.29 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pkf h ASP 200 CO 0.00 0.84 0.08 0.25 -1.72 0.00 0.00 179.24 178.69 2pkf h LEU 201 N 1.06 0.12 -0.51 1.55 5.85 -1.12 -1.62 115.31 120.64 2pkf h LEU 201 Ca 0.26 0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2pkf h LEU 201 Cb 0.12 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2pkf h LEU 201 CO -0.03 0.09 0.18 0.25 -0.34 0.00 0.00 178.44 178.59 2pkf h LEU 202 N 0.17 0.19 -0.34 2.25 6.46 -0.18 -0.23 115.31 123.63 2pkf h LEU 202 Ca 0.06 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2pkf h LEU 202 Cb 0.00 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2pkf h LEU 202 CO -0.04 0.13 0.14 -0.07 -0.62 0.00 0.00 178.44 177.99 2pkf h LEU 203 N 0.36 0.47 -0.53 2.25 3.38 -1.15 -1.33 115.31 118.76 2pkf h LEU 203 Ca 0.24 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2pkf h LEU 203 Cb 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2pkf h LEU 203 CO -0.25 0.50 0.16 -1.28 0.09 0.00 0.00 178.44 177.66 2pkf h SER 204 N 0.40 0.78 -0.07 -0.43 0.87 -0.87 -1.74 113.55 112.49 2pkf h SER 204 Ca 0.11 -0.21 -0.20 0.00 -1.23 0.00 0.00 61.79 60.26 2pkf h SER 204 Cb 0.18 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2pkf h SER 204 CO -0.01 0.79 -0.72 0.11 -0.53 0.00 0.00 176.83 176.47 2pkf h LYS 205 N 0.73 0.62 0.00 2.24 1.57 -1.00 -3.23 116.57 117.50 2pkf h LYS 205 Ca 0.17 -0.56 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 2pkf h LYS 205 Cb 0.30 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2pkf h LYS 205 CO -0.00 1.18 -0.36 1.79 -0.57 0.00 0.00 179.45 181.49 2pkf h THR 206 N 0.25 0.83 0.00 -0.16 1.35 -1.26 -3.34 112.91 110.58 2pkf h THR 206 Ca -0.07 -1.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2pkf h THR 206 Cb 1.37 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.72 2pkf h THR 206 CO 0.15 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2pkf n GLY 207 N 0.26 0.74 3.80 5.82 0.00 -0.66 -4.91 105.19 110.24 2pkf n GLY 207 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.04 3.38 0.69 1.61 0.51 -1.20 -5.03 118.94 115.86 2pkf s TRP 208 Ca 0.00 1.66 -0.09 0.00 -2.12 0.00 0.00 56.10 55.55 2pkf s TRP 208 Cb 0.00 -2.94 0.04 0.00 -0.81 0.00 0.00 33.47 29.76 2pkf s TRP 208 CO 0.00 -0.18 1.04 -1.54 -0.51 0.00 0.00 176.95 175.76 2pkf s SER 209 N -1.90 5.15 0.24 2.95 1.04 -1.26 -4.70 113.70 115.22 2pkf s SER 209 Ca 0.58 0.79 -0.06 0.00 0.48 0.00 0.00 55.95 57.75 2pkf s SER 209 Cb -0.15 -1.54 0.36 0.00 0.10 0.00 0.00 66.02 64.79 2pkf s SER 209 CO 0.19 -1.44 1.81 -0.08 0.98 0.00 0.00 173.24 174.70 2pkf h GLU 210 N -0.59 0.75 -0.62 4.02 4.81 -1.98 -1.86 114.58 119.11 2pkf h GLU 210 Ca -0.45 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2pkf h GLU 210 Cb 1.28 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 2pkf h GLU 210 CO 0.63 0.49 0.23 0.00 -0.73 0.00 0.00 179.01 179.63 2pkf h ALA 211 N 1.43 1.23 -0.93 2.92 0.00 -1.99 -0.50 119.26 121.43 2pkf h ALA 211 Ca 0.37 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2pkf h ALA 211 Cb 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2pkf h ALA 211 CO -0.23 0.56 0.61 -0.44 0.00 0.00 0.00 179.25 179.74 2pkf h ASP 212 N 0.90 1.04 -0.22 0.00 3.32 -1.73 -2.15 116.42 117.58 2pkf h ASP 212 Ca 0.21 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2pkf h ASP 212 Cb 0.20 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2pkf h ASP 212 CO -0.02 0.74 -0.19 0.58 -1.72 0.00 0.00 179.24 178.63 2pkf h VAL 213 N 1.22 1.32 0.00 -1.35 2.07 -0.77 -3.23 116.25 115.52 2pkf h VAL 213 Ca 0.35 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 2pkf h VAL 213 Cb -0.09 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2pkf h VAL 213 CO -0.09 0.41 -0.15 0.24 0.02 0.00 0.00 177.57 178.00 2pkf h MET 214 N 0.21 0.00 0.00 1.57 2.86 -0.90 -0.10 114.93 118.57 2pkf h MET 214 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2pkf h MET 214 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2pkf h MET 214 CO 0.05 0.15 0.00 0.00 1.06 0.00 0.00 176.91 178.16 2pkf n ALA 215 N -2.25 1.90 0.22 6.32 0.00 -0.83 -3.67 120.51 122.20 2pkf n ALA 215 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.45 2pkf n ALA 215 Cb 0.29 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.83 3.12 -4.41 0.00 6.02 -0.09 -5.02 117.38 115.17 2pkf n GLN 216 Ca 0.04 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.80 2pkf n GLN 216 Cb 0.26 -0.95 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 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 -1.97 1.87 -0.18 5.09 -4.36 -0.95 -0.81 121.20 119.89 2pkf s ILE 217 Ca 0.01 -2.22 0.20 0.00 -0.26 0.00 0.00 60.65 58.38 2pkf s ILE 217 Cb 0.05 -2.26 -0.07 0.00 1.25 0.00 0.00 42.46 41.43 2pkf s ILE 217 CO 0.30 -0.44 0.93 0.47 0.24 0.00 0.00 174.94 176.44 2pkf n ASP 218 N -0.51 0.86 -3.64 4.36 8.00 -0.48 -4.73 116.55 120.41 2pkf n ASP 218 Ca -0.06 0.35 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 2pkf n ASP 218 Cb 0.61 0.30 -0.07 0.00 -0.02 0.00 0.00 41.12 41.95 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 -5.58 -0.75 -0.18 0.64 2.96 -1.15 -4.30 118.68 110.32 2pkf s LEU 219 Ca -0.02 1.29 -0.11 0.00 -0.22 0.00 0.00 54.13 55.07 2pkf s LEU 219 Cb 0.09 2.23 -0.05 0.00 0.50 0.00 0.00 46.19 48.96 2pkf s LEU 219 CO 0.80 -0.21 0.19 -0.60 -1.32 0.00 0.00 176.35 175.21 2pkf s ARG 220 N 1.03 4.16 -0.20 1.98 3.52 -0.24 -1.35 118.95 127.84 2pkf s ARG 220 Ca -0.05 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 2pkf s ARG 220 Cb -0.05 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 2pkf s ARG 220 CO -0.11 0.31 -0.16 0.08 -0.81 0.00 0.00 175.30 174.61 2pkf s VAL 221 N 0.29 2.03 -0.23 7.11 1.01 0.28 -0.58 120.40 130.31 2pkf s VAL 221 Ca 0.11 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2pkf s VAL 221 Cb -0.12 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.37 2pkf s VAL 221 CO 0.01 0.34 -0.07 -0.89 0.00 0.00 0.00 175.10 174.48 2pkf s THR 222 N 1.26 1.63 0.41 3.92 2.01 0.02 -1.89 115.64 122.99 2pkf s THR 222 Ca 0.01 -1.20 -0.22 0.00 0.31 0.00 0.00 61.69 60.58 2pkf s THR 222 Cb -0.15 -1.82 -0.11 0.00 0.01 0.00 0.00 72.50 70.43 2pkf s THR 222 CO -0.10 -0.01 0.95 0.42 -0.69 0.00 0.00 174.62 175.19 2pkf s THR 223 N 1.36 4.35 -0.11 -0.82 -4.23 -0.34 -1.10 115.64 114.75 2pkf s THR 223 Ca -0.05 1.55 0.15 0.00 -1.18 0.00 0.00 61.69 62.16 2pkf s THR 223 Cb -0.18 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.33 2pkf s THR 223 CO -0.07 -0.24 1.16 0.18 -0.54 0.00 0.00 174.62 175.12 2pkf n LEU 224 N -0.43 1.82 0.00 4.79 4.77 0.10 -1.01 117.00 127.05 2pkf n LEU 224 Ca 0.06 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.19 2pkf n LEU 224 Cb 0.53 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2pkf n LEU 224 CO 0.38 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2pkf n GLY 225 N -0.59 3.54 0.12 -0.72 0.00 -1.26 -1.71 105.19 104.58 2pkf n GLY 225 Ca 0.12 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.15 -0.02 1.61 -0.04 -1.26 -1.82 135.00 147.62 2pkf n PRO 226 Ca 0.00 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 2pkf n PRO 226 Cb 0.00 -1.85 0.52 0.00 -0.04 0.00 0.00 33.50 32.13 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 -2.14 1.61 0.00 0.54 5.02 -0.69 -4.52 118.16 117.99 2pkf n LYS 227 Ca 0.01 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.40 2pkf n LYS 227 Cb 0.15 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.14 0.84 3.16 0.72 0.00 -0.76 -4.66 105.19 105.64 2pkf n GLY 228 Ca 0.19 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 0.02 -0.14 1.61 0.11 -0.26 0.03 120.40 121.77 2pkf s VAL 229 Ca 0.00 -0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 2pkf s VAL 229 Cb 0.00 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.39 2pkf s VAL 229 CO 0.00 -0.07 0.03 -1.81 -3.33 0.00 0.00 175.10 169.92 2pkf s ASP 230 N -0.19 5.41 -0.18 3.54 1.01 -0.26 -1.70 116.67 124.31 2pkf s ASP 230 Ca -0.03 0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2pkf s ASP 230 Cb -0.03 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 42.15 2pkf s ASP 230 CO 0.01 0.27 -0.17 -0.76 0.21 0.00 0.00 175.17 174.73 2pkf s LEU 231 N -0.22 2.29 -0.12 1.23 1.43 0.68 -0.80 118.68 123.17 2pkf s LEU 231 Ca 0.06 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 2pkf s LEU 231 Cb -0.12 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2pkf s LEU 231 CO 0.02 0.02 -0.17 -0.69 0.23 0.00 0.00 176.35 175.76 2pkf s VAL 232 N 1.19 1.62 0.16 -1.59 1.01 0.25 -0.40 120.40 122.64 2pkf s VAL 232 Ca 0.02 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 2pkf s VAL 232 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2pkf s VAL 232 CO -0.08 0.46 0.35 -1.61 0.00 0.00 0.00 175.10 174.23 2pkf s GLU 233 N 0.98 3.53 0.65 2.72 2.02 -0.21 -1.08 118.70 127.31 2pkf s GLU 233 Ca -0.06 -0.31 0.36 0.00 0.02 0.00 0.00 54.97 54.98 2pkf s GLU 233 Cb -0.15 -2.88 1.98 0.00 0.10 0.00 0.00 34.13 33.18 2pkf s GLU 233 CO -0.02 0.45 2.17 -1.35 0.02 0.00 0.00 175.26 176.53 2pkf h PRO 234 N 2.37 0.00 0.00 0.39 0.11 -1.83 -0.30 132.00 132.74 2pkf h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pkf h PRO 234 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pkf h PRO 234 CO 0.70 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.87 2pkf h ASP 235 N 0.00 0.00 0.00 -2.05 2.03 -1.94 -3.47 116.42 110.99 2pkf h ASP 235 Ca 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2pkf h ASP 235 Cb 0.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 2pkf h ASP 235 CO -0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 2pkf n GLY 236 N 1.05 0.74 3.71 7.15 0.00 -0.12 -5.08 105.19 112.64 2pkf n GLY 236 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.23 -0.03 2.61 2.01 -1.26 -4.88 115.64 115.33 2pkf s THR 237 Ca 0.00 0.88 0.06 0.00 0.31 0.00 0.00 61.69 62.93 2pkf s THR 237 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 2pkf s THR 237 CO 0.00 0.07 -0.20 0.42 -0.69 0.00 0.00 174.62 174.21 2pkf s THR 238 N 1.15 1.62 -0.12 -0.82 -4.23 -1.26 -1.04 115.64 110.94 2pkf s THR 238 Ca 0.65 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 2pkf s THR 238 Cb -0.38 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.11 2pkf s THR 238 CO 0.30 0.46 -0.18 -0.63 -0.54 0.00 0.00 174.62 174.03 2pkf s ILE 239 N -0.30 1.76 -0.17 2.99 1.01 0.46 -4.97 121.20 121.97 2pkf s ILE 239 Ca 0.03 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2pkf s ILE 239 Cb -0.10 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 2pkf s ILE 239 CO 0.01 0.49 -0.10 -2.28 0.00 0.00 0.00 174.94 173.05 2pkf s HIS 240 N 0.88 2.87 -0.12 3.97 2.46 -1.26 -0.23 115.29 123.86 2pkf s HIS 240 Ca -0.07 -0.88 0.03 0.00 0.47 0.00 0.00 55.06 54.60 2pkf s HIS 240 Cb -0.15 -1.96 0.01 0.00 -0.13 0.00 0.00 32.58 30.35 2pkf s HIS 240 CO -0.01 -0.42 -0.22 0.08 -2.47 0.00 0.00 174.74 171.70 2pkf s VAL 241 N 0.91 1.97 0.81 0.89 1.01 -0.69 -4.99 120.40 120.31 2pkf s VAL 241 Ca -0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 2pkf s VAL 241 Cb -0.15 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.58 2pkf s VAL 241 CO -0.00 0.54 1.11 -0.83 0.00 0.00 0.00 175.10 175.91 2pkf s GLY 242 N 0.60 1.61 0.81 4.51 0.00 -1.26 -1.10 107.32 112.49 2pkf s GLY 242 Ca -0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 2pkf s GLY 242 CO 0.03 0.14 1.09 -1.34 0.00 0.00 0.00 173.10 173.02 2pkf s VAL 243 N -3.23 3.10 -0.12 1.40 -7.23 -1.26 -4.84 120.40 108.21 2pkf s VAL 243 Ca 0.61 0.36 -0.29 0.00 -1.81 0.00 0.00 61.98 60.85 2pkf s VAL 243 Cb -0.14 -2.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.96 2pkf s VAL 243 CO 0.53 -0.47 0.97 -0.69 -0.31 0.00 0.00 175.10 175.14 2pkf s VAL 244 N -2.90 4.80 0.26 1.32 1.01 -1.26 -5.00 120.40 118.62 2pkf s VAL 244 Ca 0.62 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 64.25 2pkf s VAL 244 Cb -0.18 -4.28 -0.12 0.00 0.00 0.00 0.00 36.38 31.81 2pkf s VAL 244 CO 0.56 0.00 1.63 -2.65 0.00 0.00 0.00 175.10 174.64 2pkf n PRO 245 N 5.09 2.68 -3.14 2.72 -0.02 -1.26 -4.86 135.00 136.21 2pkf n PRO 245 Ca 0.08 0.96 -0.29 0.00 -2.02 0.00 0.00 63.50 62.22 2pkf n PRO 245 Cb 0.49 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 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 0.07 3.69 0.00 -0.52 1.03 -1.26 -4.99 118.70 116.72 2pkf s GLU 246 Ca 0.68 0.19 0.22 0.00 0.03 0.00 0.00 54.97 56.09 2pkf s GLU 246 Cb -0.51 -2.54 -0.06 0.00 -0.80 0.00 0.00 34.13 30.22 2pkf s GLU 246 CO 0.43 0.11 0.99 0.25 -1.33 0.00 0.00 175.26 175.71 2pkf n THR 247 N -1.10 0.02 -3.57 1.83 -2.24 -1.26 -4.96 114.28 102.99 2pkf n THR 247 Ca -0.00 -0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2pkf n THR 247 Cb 0.54 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 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 -3.20 -0.68 -1.09 3.42 1.04 -1.26 -5.06 113.70 106.87 2pkf s SER 248 Ca 0.07 1.02 -0.04 0.00 0.48 0.00 0.00 55.95 57.48 2pkf s SER 248 Cb 0.16 0.94 0.30 0.00 0.10 0.00 0.00 66.02 67.52 2pkf s SER 248 CO 0.83 -0.43 1.52 0.00 0.98 0.00 0.00 173.24 176.15 2pkf n GLN 249 N 1.71 4.45 -0.05 4.02 0.00 -1.26 -4.33 117.38 121.92 2pkf n GLN 249 Ca -0.16 -4.48 -0.12 0.00 0.00 0.00 0.00 57.00 52.23 2pkf n GLN 249 Cb 0.56 -2.54 -0.07 0.00 0.00 0.00 0.00 30.24 28.19 2pkf n GLN 249 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 2pkf h THR 250 N 3.43 1.31 -0.65 -0.39 2.02 -1.69 -3.45 112.91 113.49 2pkf h THR 250 Ca 0.22 -1.10 0.18 0.00 0.77 0.00 0.00 66.41 66.47 2pkf h THR 250 Cb 0.61 1.74 -0.21 0.00 -1.74 0.00 0.00 68.15 68.54 2pkf h THR 250 CO 1.36 0.32 0.00 -0.62 0.37 0.00 0.00 175.52 176.96 2pkf s ASP 251 N -5.96 -0.79 0.00 4.18 2.15 -0.72 -4.90 116.67 110.64 2pkf s ASP 251 Ca -0.14 0.56 0.24 0.00 0.43 0.00 0.00 52.55 53.64 2pkf s ASP 251 Cb 0.05 1.69 1.11 0.00 -0.30 0.00 0.00 42.92 45.47 2pkf s ASP 251 CO 0.73 -0.15 1.79 -0.81 -0.17 0.00 0.00 175.17 176.56 2pkf n PRO 252 N 5.41 0.15 -1.79 4.34 -0.04 -1.26 -4.23 135.00 137.58 2pkf n PRO 252 Ca -0.05 0.08 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 2pkf n PRO 252 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 2pkf n PRO 252 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2pkf s THR 253 N -2.81 2.06 0.00 0.52 -4.23 -1.26 -2.59 115.64 107.32 2pkf s THR 253 Ca 0.17 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2pkf s THR 253 Cb 0.16 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2pkf s THR 253 CO 0.41 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2pkf n GLY 254 N 1.55 1.05 0.25 3.99 0.00 -1.26 -4.66 105.19 106.10 2pkf n GLY 254 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 1.28 -0.54 1.61 2.07 -1.82 -1.60 116.25 117.25 2pkf h VAL 255 Ca 0.00 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 2pkf h VAL 255 Cb 0.00 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2pkf h VAL 255 CO 0.00 0.55 0.22 1.23 0.02 0.00 0.00 177.57 179.59 2pkf h GLY 256 N 0.75 0.86 0.94 2.17 0.00 -1.91 -1.06 103.07 104.81 2pkf h GLY 256 Ca 0.02 -0.47 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2pkf h GLY 256 CO 0.11 0.44 0.44 -0.55 0.00 0.00 0.00 176.54 176.99 2pkf h ASP 257 N 0.73 0.75 -0.48 0.19 3.32 -1.91 -1.71 116.42 117.31 2pkf h ASP 257 Ca 0.18 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2pkf h ASP 257 Cb 0.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2pkf h ASP 257 CO -0.01 0.53 0.24 0.00 -1.72 0.00 0.00 179.24 178.28 2pkf h ALA 258 N 1.28 0.62 -0.20 3.45 0.00 -1.00 -1.17 119.26 122.24 2pkf h ALA 258 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pkf h ALA 258 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2pkf h ALA 258 CO -0.08 0.17 0.12 0.35 0.00 0.00 0.00 179.25 179.81 2pkf h PHE 259 N 0.63 0.23 -0.55 0.00 3.57 -0.95 -0.63 116.94 119.24 2pkf h PHE 259 Ca 0.17 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2pkf h PHE 259 Cb 0.10 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2pkf h PHE 259 CO -0.01 0.14 0.37 0.00 -2.23 0.00 0.00 178.31 176.58 2pkf h ARG 260 N 0.25 0.73 -0.39 1.11 3.08 -1.11 0.11 114.38 118.15 2pkf h ARG 260 Ca 0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2pkf h ARG 260 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 2pkf h ARG 260 CO -0.03 0.48 0.16 0.00 -1.07 0.00 0.00 179.97 179.52 2pkf h ALA 261 N 1.21 0.51 -0.49 0.04 0.00 -0.99 -0.25 119.26 119.28 2pkf h ALA 261 Ca 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2pkf h ALA 261 Cb -0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2pkf h ALA 261 CO -0.05 0.11 0.13 0.78 0.00 0.00 0.00 179.25 180.23 2pkf h GLY 262 N 0.49 0.84 0.93 0.00 0.00 -0.87 -0.48 103.07 103.99 2pkf h GLY 262 Ca 0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2pkf h GLY 262 CO -0.01 0.48 0.13 -2.75 0.00 0.00 0.00 176.54 174.39 2pkf h PHE 263 N 0.67 0.36 -0.01 5.60 3.57 -0.83 -1.06 116.94 125.24 2pkf h PHE 263 Ca 0.16 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.49 2pkf h PHE 263 Cb 0.31 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2pkf h PHE 263 CO 0.02 0.34 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.67 2pkf h LEU 264 N 0.28 0.05 -0.54 0.59 3.38 -0.93 -0.91 115.31 117.23 2pkf h LEU 264 Ca 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pkf h LEU 264 Cb 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pkf h LEU 264 CO -0.01 0.73 0.24 0.74 0.09 0.00 0.00 178.44 180.23 2pkf h THR 265 N 0.03 1.21 -0.41 0.22 2.02 -0.98 -0.90 112.91 114.10 2pkf h THR 265 Ca -0.01 -0.61 0.02 0.00 0.77 0.00 0.00 66.41 66.58 2pkf h THR 265 Cb 1.23 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 2pkf h THR 265 CO 0.09 0.24 0.24 1.23 0.37 0.00 0.00 175.52 177.69 2pkf h GLY 266 N 0.73 0.58 0.99 2.16 0.00 -0.50 -1.70 103.07 105.32 2pkf h GLY 266 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2pkf h GLY 266 CO -0.02 0.15 0.10 3.21 0.00 0.00 0.00 176.54 179.98 2pkf h ARG 267 N 0.48 0.84 0.00 4.80 2.47 -0.96 -0.91 114.38 121.11 2pkf h ARG 267 Ca 0.17 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.63 2pkf h ARG 267 Cb 0.02 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 2pkf h ARG 267 CO -0.08 0.82 -0.19 1.03 0.56 0.00 0.00 179.97 182.10 2pkf h SER 268 N 0.73 0.00 -0.10 7.04 0.87 -0.94 -1.57 113.55 119.57 2pkf h SER 268 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2pkf h SER 268 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2pkf h SER 268 CO 0.01 0.19 0.00 0.00 -0.53 0.00 0.00 176.83 176.50 2pkf n ALA 269 N -2.38 2.55 -0.45 6.23 0.00 -0.66 -4.93 120.51 120.88 2pkf n ALA 269 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2pkf n ALA 269 Cb 0.28 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.10 0.76 3.78 0.00 0.00 -0.59 -4.99 105.19 105.25 2pkf n GLY 270 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 3.73 0.00 0.99 1.43 -0.40 -5.00 118.68 119.43 2pkf s LEU 271 Ca 0.00 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 54.94 2pkf s LEU 271 Cb 0.00 -4.57 0.30 0.00 0.03 0.00 0.00 46.19 41.96 2pkf s LEU 271 CO 0.00 -1.10 1.04 0.61 0.23 0.00 0.00 176.35 177.14 2pkf n GLY 272 N -0.15 -2.86 0.05 -3.19 0.00 -1.26 -4.43 105.19 93.34 2pkf n GLY 272 Ca 0.10 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 0.02 -0.13 0.99 3.38 -1.99 -0.99 115.31 116.59 2pkf h LEU 273 Ca -0.40 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2pkf h LEU 273 Cb 1.23 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2pkf h LEU 273 CO 0.26 0.25 0.09 -0.08 0.09 0.00 0.00 178.44 179.05 2pkf h GLU 274 N -0.22 0.17 -0.79 1.13 4.81 -1.97 -0.79 114.58 116.92 2pkf h GLU 274 Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2pkf h GLU 274 Cb 0.24 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2pkf h GLU 274 CO 0.00 0.12 0.29 0.00 -0.73 0.00 0.00 179.01 178.69 2pkf h ARG 275 N 0.17 1.19 -0.70 1.92 2.47 -1.92 -0.59 114.38 116.91 2pkf h ARG 275 Ca 0.05 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.49 2pkf h ARG 275 Cb -0.02 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.09 2pkf h ARG 275 CO -0.01 0.97 0.25 0.77 0.56 0.00 0.00 179.97 182.52 2pkf h SER 276 N 1.15 0.99 -0.08 7.04 0.02 -0.96 -0.78 113.55 120.94 2pkf h SER 276 Ca 0.26 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2pkf h SER 276 Cb 0.24 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2pkf h SER 276 CO -0.02 0.91 -0.15 0.00 -1.14 0.00 0.00 176.83 176.44 2pkf h ALA 277 N 1.12 1.28 -0.38 3.77 0.00 -0.74 0.17 119.26 124.47 2pkf h ALA 277 Ca 0.23 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2pkf h ALA 277 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pkf h ALA 277 CO -0.01 0.47 -0.06 1.96 0.00 0.00 0.00 179.25 181.61 2pkf h GLN 278 N 0.39 0.70 -0.47 0.00 4.20 -0.67 -0.10 115.11 119.17 2pkf h GLN 278 Ca 0.07 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2pkf h GLN 278 Cb 0.50 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2pkf h GLN 278 CO 0.03 0.83 0.26 1.25 -0.67 0.00 0.00 178.83 180.53 2pkf h LEU 279 N 0.51 0.58 -1.26 1.46 5.85 -0.92 -2.44 115.31 119.08 2pkf h LEU 279 Ca 0.10 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2pkf h LEU 279 Cb 0.55 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2pkf h LEU 279 CO 0.03 0.50 0.47 1.23 -0.34 0.00 0.00 178.44 180.33 2pkf h GLY 280 N 0.61 1.03 1.46 3.75 0.00 -0.79 -2.18 103.07 106.95 2pkf h GLY 280 Ca 0.16 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 2pkf h GLY 280 CO -0.03 0.39 -0.07 1.76 0.00 0.00 0.00 176.54 178.59 2pkf h SER 281 N 0.99 0.64 -0.07 0.19 0.02 -0.71 -0.75 113.55 113.85 2pkf h SER 281 Ca 0.27 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2pkf h SER 281 Cb -0.10 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.27 2pkf h SER 281 CO -0.06 0.75 0.01 0.25 -1.14 0.00 0.00 176.83 176.64 2pkf h LEU 282 N 0.61 0.12 -0.94 5.07 5.85 -0.95 -2.20 115.31 122.87 2pkf h LEU 282 Ca 0.11 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2pkf h LEU 282 Cb 0.49 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2pkf h LEU 282 CO 0.03 0.38 0.61 0.58 -0.34 0.00 0.00 178.44 179.70 2pkf h VAL 283 N -0.15 1.18 -0.43 1.05 2.07 -1.19 -2.23 116.25 116.55 2pkf h VAL 283 Ca 0.02 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2pkf h VAL 283 Cb 0.31 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 2pkf h VAL 283 CO 0.00 0.22 0.17 0.00 0.02 0.00 0.00 177.57 177.98 2pkf h ALA 284 N 1.38 0.51 -0.04 1.67 0.00 -1.06 -2.16 119.26 119.57 2pkf h ALA 284 Ca 0.37 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.19 2pkf h ALA 284 Cb -0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pkf h ALA 284 CO -0.11 -0.22 -0.56 -0.24 0.00 0.00 0.00 179.25 178.12 2pkf h VAL 285 N 0.34 1.39 -0.75 0.00 3.04 -0.89 -0.40 116.25 118.98 2pkf h VAL 285 Ca 0.20 -1.91 -0.02 0.00 -1.01 0.00 0.00 66.70 63.95 2pkf h VAL 285 Cb 0.16 1.99 -0.04 0.00 -2.01 0.00 0.00 31.29 31.40 2pkf h VAL 285 CO -0.18 0.56 0.37 -0.07 -1.01 0.00 0.00 177.57 177.23 2pkf h LEU 286 N 0.08 0.96 -0.17 3.16 3.38 -1.04 -1.48 115.31 120.20 2pkf h LEU 286 Ca -0.00 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 2pkf h LEU 286 Cb 1.02 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.53 2pkf h LEU 286 CO 0.08 0.81 -0.91 0.58 0.09 0.00 0.00 178.44 179.09 2pkf h VAL 287 N 1.06 1.36 -0.27 1.22 2.07 -0.92 -3.08 116.25 117.68 2pkf h VAL 287 Ca 0.26 -2.30 0.02 0.00 0.82 0.00 0.00 66.70 65.50 2pkf h VAL 287 Cb 0.09 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2pkf h VAL 287 CO -0.04 0.70 0.18 0.25 0.02 0.00 0.00 177.57 178.68 2pkf h LEU 288 N 0.31 0.26 -1.05 2.57 5.85 -0.67 -2.00 115.31 120.58 2pkf h LEU 288 Ca -0.08 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2pkf h LEU 288 Cb 1.54 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.51 2pkf h LEU 288 CO 0.17 0.18 0.00 -0.62 -0.34 0.00 0.00 178.44 177.83 2pkf n GLU 289 N -4.50 1.68 -4.52 1.25 1.02 -0.59 -1.76 120.64 113.22 2pkf n GLU 289 Ca 0.02 -1.03 -0.24 0.00 -0.02 0.00 0.00 57.16 55.89 2pkf n GLU 289 Cb 0.12 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 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 -1.43 2.20 0.13 1.62 0.15 -0.75 -4.80 113.70 110.82 2pkf s SER 290 Ca 0.29 -0.51 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 2pkf s SER 290 Cb 0.16 -0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 64.22 2pkf s SER 290 CO 0.23 0.11 0.74 0.42 1.20 0.00 0.00 173.24 175.94 2pkf s THR 291 N -0.84 4.49 0.00 6.45 -4.23 -1.26 -4.21 115.64 116.05 2pkf s THR 291 Ca 0.05 1.60 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 2pkf s THR 291 Cb -0.09 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.66 2pkf s THR 291 CO 0.02 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2pkf n GLY 292 N 1.75 -2.31 0.00 3.99 0.00 -1.26 -4.55 105.19 102.81 2pkf n GLY 292 Ca -0.06 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.24 0.03 -1.35 2.61 -2.24 -1.26 -4.68 114.28 107.15 2pkf n THR 293 Ca 0.00 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.80 2pkf n THR 293 Cb 0.00 0.16 0.13 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 -1.68 1.12 -0.15 -0.78 6.02 -1.26 -4.75 117.38 115.91 2pkf n GLN 294 Ca -0.01 -2.50 0.11 0.00 -0.01 0.00 0.00 57.00 54.59 2pkf n GLN 294 Cb 0.16 -1.33 0.18 0.00 1.02 0.00 0.00 30.24 30.27 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 -1.11 2.34 -2.47 -1.09 -0.58 -1.26 -4.96 120.64 111.51 2pkf n GLU 295 Ca 0.14 -2.13 -0.30 0.00 -0.42 0.00 0.00 57.16 54.45 2pkf n GLU 295 Cb 0.68 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 30.07 2pkf n GLU 295 CO 0.00 0.00 0.00 1.67 -0.48 0.00 0.00 177.13 178.32 2pkf s TRP 296 N -1.47 3.54 0.16 -0.32 1.48 -1.26 -4.95 118.94 116.11 2pkf s TRP 296 Ca 0.34 1.10 0.06 0.00 -1.06 0.00 0.00 56.10 56.53 2pkf s TRP 296 Cb 0.21 -2.52 -0.04 0.00 -1.16 0.00 0.00 33.47 29.96 2pkf s TRP 296 CO 0.29 -0.35 0.06 -0.65 -4.06 0.00 0.00 176.95 172.24 2pkf s GLN 297 N -4.51 2.65 -0.27 3.25 -1.52 -1.26 -5.11 119.66 112.89 2pkf s GLN 297 Ca 0.52 -0.96 -0.01 0.00 -1.95 0.00 0.00 55.36 52.96 2pkf s GLN 297 Cb -0.10 -2.52 0.04 0.00 -0.22 0.00 0.00 33.01 30.21 2pkf s GLN 297 CO 0.41 0.48 -0.03 -0.46 -0.25 0.00 0.00 175.29 175.44 2pkf s TRP 298 N -1.67 3.18 -0.25 0.91 -0.11 -1.26 -5.07 118.94 114.66 2pkf s TRP 298 Ca 0.29 -1.75 0.02 0.00 1.22 0.00 0.00 56.10 55.87 2pkf s TRP 298 Cb -0.10 -2.08 0.05 0.00 -1.50 0.00 0.00 33.47 29.84 2pkf s TRP 298 CO 0.21 -0.77 -0.10 0.34 -4.62 0.00 0.00 176.95 172.00 2pkf s ASP 299 N 1.28 4.32 0.16 5.86 2.15 -1.26 -5.03 116.67 124.15 2pkf s ASP 299 Ca -0.03 -1.22 -0.17 0.00 0.43 0.00 0.00 52.55 51.56 2pkf s ASP 299 Cb -0.18 -1.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.96 2pkf s ASP 299 CO -0.03 -0.17 1.69 0.22 -0.17 0.00 0.00 175.17 176.71 2pkf h TYR 300 N 7.85 -0.11 -0.39 -5.34 3.20 -1.98 0.29 116.97 120.49 2pkf h TYR 300 Ca -0.24 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.55 2pkf h TYR 300 Cb 1.06 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2pkf h TYR 300 CO 0.61 -0.12 -0.20 0.93 -1.64 0.00 0.00 178.16 177.74 2pkf h GLU 301 N 0.05 0.76 -0.29 1.82 4.39 -1.96 -0.88 114.58 118.47 2pkf h GLU 301 Ca 0.19 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 2pkf h GLU 301 Cb 0.28 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 2pkf h GLU 301 CO -0.35 0.90 -0.21 0.00 -1.16 0.00 0.00 179.01 178.18 2pkf h ALA 302 N 1.10 1.09 -0.14 3.43 0.00 -1.90 -1.49 119.26 121.35 2pkf h ALA 302 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2pkf h ALA 302 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2pkf h ALA 302 CO 0.05 0.56 0.04 0.00 0.00 0.00 0.00 179.25 179.90 2pkf h ALA 303 N 1.29 0.19 -0.28 0.00 0.00 -0.59 -1.04 119.26 118.83 2pkf h ALA 303 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2pkf h ALA 303 Cb 0.64 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2pkf h ALA 303 CO 0.05 -0.18 0.07 0.00 0.00 0.00 0.00 179.25 179.19 2pkf h ALA 304 N 0.84 0.30 -0.65 0.00 0.00 -1.00 0.24 119.26 118.99 2pkf h ALA 304 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2pkf h ALA 304 Cb 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2pkf h ALA 304 CO 0.00 -0.35 0.32 1.03 0.00 0.00 0.00 179.25 180.25 2pkf h SER 305 N 0.18 0.84 -0.01 0.00 0.87 -1.23 -1.31 113.55 112.89 2pkf h SER 305 Ca 0.13 -0.13 -0.23 0.00 -1.23 0.00 0.00 61.79 60.33 2pkf h SER 305 Cb 0.13 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2pkf h SER 305 CO -0.16 0.73 -0.84 -0.09 -0.53 0.00 0.00 176.83 175.94 2pkf h ARG 306 N 0.89 0.69 -0.75 2.24 2.43 -0.88 -0.58 114.38 118.42 2pkf h ARG 306 Ca 0.22 -0.61 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2pkf h ARG 306 Cb 0.11 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 2pkf h ARG 306 CO -0.03 1.22 0.47 -0.07 -1.51 0.00 0.00 179.97 180.04 2pkf h LEU 307 N 0.45 0.88 -0.65 3.80 3.38 -0.92 -1.96 115.31 120.28 2pkf h LEU 307 Ca -0.07 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2pkf h LEU 307 Cb 1.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2pkf h LEU 307 CO 0.17 0.67 0.26 0.00 0.09 0.00 0.00 178.44 179.63 2pkf h ALA 308 N 1.25 0.85 -0.67 1.53 0.00 -1.01 0.85 119.26 122.06 2pkf h ALA 308 Ca 0.27 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2pkf h ALA 308 Cb -0.07 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.40 2pkf h ALA 308 CO -0.05 0.47 0.32 0.78 0.00 0.00 0.00 179.25 180.76 2pkf h GLY 309 N 0.92 0.98 1.06 0.00 0.00 -0.87 0.52 103.07 105.68 2pkf h GLY 309 Ca 0.22 -0.20 -0.33 0.00 0.00 0.00 0.00 47.33 47.02 2pkf h GLY 309 CO -0.02 0.05 -1.66 0.00 0.00 0.00 0.00 176.54 174.91 2pkf h ALA 310 N 1.41 0.18 0.00 3.60 0.00 -1.00 -3.41 119.26 120.04 2pkf h ALA 310 Ca 0.33 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2pkf h ALA 310 Cb 0.34 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2pkf h ALA 310 CO -0.26 1.05 0.00 0.66 0.00 0.00 0.00 179.25 180.69 2pkf n TYR 311 N -3.55 0.00 0.00 0.00 4.01 0.26 -5.08 117.16 112.81 2pkf n TYR 311 Ca -0.21 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2pkf n TYR 311 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.10 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 0.06 0.84 0.36 2.72 0.00 0.17 -4.39 105.19 104.95 2pkf n GLY 312 Ca 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.06 0.14 1.61 4.39 -1.88 -1.36 114.58 118.54 2pkf h GLU 313 Ca 0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2pkf h GLU 313 Cb 0.00 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 2pkf h GLU 313 CO 0.00 0.71 -0.07 1.25 -1.16 0.00 0.00 179.01 179.74 2pkf h HIS 314 N 1.09 -0.17 -0.41 4.33 2.76 -1.95 0.16 115.15 120.95 2pkf h HIS 314 Ca 0.29 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.48 2pkf h HIS 314 Cb -0.12 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2pkf h HIS 314 CO 0.00 -0.04 0.24 0.00 -1.30 0.00 0.00 177.93 176.83 2pkf h ALA 315 N 0.59 0.52 -0.62 5.26 0.00 -1.72 -2.39 119.26 120.89 2pkf h ALA 315 Ca -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2pkf h ALA 315 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2pkf h ALA 315 CO 0.03 -0.09 0.39 0.00 0.00 0.00 0.00 179.25 179.58 2pkf h ALA 316 N 1.19 0.81 -0.61 0.00 0.00 -1.11 -1.73 119.26 117.80 2pkf h ALA 316 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2pkf h ALA 316 Cb 0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 2pkf h ALA 316 CO -0.08 0.15 0.32 0.00 0.00 0.00 0.00 179.25 179.64 2pkf h ALA 317 N 1.26 0.81 -0.16 0.00 0.00 -0.70 -0.70 119.26 119.76 2pkf h ALA 317 Ca 0.25 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2pkf h ALA 317 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pkf h ALA 317 CO -0.09 -0.02 -0.37 0.93 0.00 0.00 0.00 179.25 179.70 2pkf h GLU 318 N 0.60 0.34 0.09 0.00 5.08 -1.09 -2.32 114.58 117.28 2pkf h GLU 318 Ca 0.28 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2pkf h GLU 318 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2pkf h GLU 318 CO -0.19 0.66 -0.04 0.82 -1.00 0.00 0.00 179.01 179.26 2pkf h ILE 319 N 0.29 1.14 0.00 3.13 2.04 -0.88 -3.28 117.51 119.95 2pkf h ILE 319 Ca 0.03 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2pkf h ILE 319 Cb 0.79 1.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2pkf h ILE 319 CO 0.06 0.29 0.00 -0.37 0.00 0.00 0.00 178.15 178.14 2pkf h VAL 320 N -0.75 0.00 -0.29 1.67 -1.51 -1.16 -2.65 116.25 111.56 2pkf h VAL 320 Ca -0.01 -0.36 0.08 0.00 -1.23 0.00 0.00 66.70 65.18 2pkf h VAL 320 Cb 0.57 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2pkf h VAL 320 CO 0.02 0.00 0.23 0.00 -1.23 0.00 0.00 177.57 176.59 2pkf h ALA 321 N 2.08 2.18 -0.19 5.19 0.00 -1.47 -0.48 119.26 126.57 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 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pkf h ALA 321 CO 0.00 -0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.20 2pkf n VAL 322 N -4.28 0.22 -4.19 0.00 0.24 -1.00 -4.99 118.33 104.33 2pkf n VAL 322 Ca 0.04 -0.61 -0.28 0.00 -2.04 0.00 0.00 64.34 61.45 2pkf n VAL 322 Cb 0.39 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.99 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 -1.78 2.61 0.00 1.34 1.43 -0.19 -5.05 118.68 117.04 2pkf s LEU 323 Ca 0.33 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2pkf s LEU 323 Cb 0.21 -1.07 0.00 0.00 0.03 0.00 0.00 46.19 45.36 2pkf s LEU 323 CO 0.31 -0.97 0.00 0.00 0.23 0.00 0.00 176.35 175.92