#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyk s HIS 8 N 0.00 1.18 0.13 -1.77 -3.43 -1.26 -5.09 115.29 105.05 2pyk s HIS 8 Ca 0.00 -0.46 -0.22 0.00 -0.80 0.00 0.00 55.06 53.59 2pyk s HIS 8 Cb 0.00 -0.67 -0.07 0.00 -1.43 0.00 0.00 32.58 30.41 2pyk s HIS 8 CO 0.00 0.05 0.67 0.15 -2.00 0.00 0.00 174.74 173.61 2pyk s LYS 9 N -1.71 4.35 0.06 -0.38 1.02 -1.26 -4.40 119.74 117.42 2pyk s LYS 9 Ca -0.02 0.91 0.06 0.00 0.02 0.00 0.00 55.97 56.94 2pyk s LYS 9 Cb -0.10 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 2pyk s LYS 9 CO 0.02 0.58 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.65 2pyk s GLU 10 N -1.24 1.07 0.61 1.68 2.02 -0.25 -4.94 118.70 117.64 2pyk s GLU 10 Ca 0.33 -0.91 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 2pyk s GLU 10 Cb -0.21 -1.15 -0.03 0.00 0.10 0.00 0.00 34.13 32.85 2pyk s GLU 10 CO 0.22 0.28 1.08 -1.25 0.02 0.00 0.00 175.26 175.61 2pyk s PRO 11 N -1.38 3.15 0.21 0.39 0.04 -1.26 -0.76 135.00 135.39 2pyk s PRO 11 Ca 0.03 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 2pyk s PRO 11 Cb -0.09 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2pyk s PRO 11 CO 0.02 -0.96 0.46 0.00 0.04 0.00 0.00 177.00 176.56 2pyk s ALA 12 N -2.33 -0.45 -0.05 8.56 0.00 -0.77 -4.63 121.76 122.09 2pyk s ALA 12 Ca 0.66 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2pyk s ALA 12 Cb -0.18 0.95 0.02 0.00 0.00 0.00 0.00 23.12 23.90 2pyk s ALA 12 CO 0.37 -0.80 -0.09 0.99 0.00 0.00 0.00 175.76 176.23 2pyk s THR 13 N -3.96 0.85 0.19 0.00 2.01 -0.93 -4.18 115.64 109.62 2pyk s THR 13 Ca 0.17 -0.32 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 2pyk s THR 13 Cb -0.00 -0.81 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 2pyk s THR 13 CO 0.03 0.29 1.52 -0.22 -0.69 0.00 0.00 174.62 175.55 2pyk s LEU 14 N 0.70 4.37 -0.08 4.42 1.98 -1.26 -0.73 118.68 128.08 2pyk s LEU 14 Ca -0.12 2.61 -0.11 0.00 -2.89 0.00 0.00 54.13 53.62 2pyk s LEU 14 Cb -0.14 -3.60 -0.04 0.00 0.66 0.00 0.00 46.19 43.07 2pyk s LEU 14 CO 0.02 -0.78 -0.22 -0.38 -1.89 0.00 0.00 176.35 173.10 2pyk n ILE 15 N 3.47 1.39 -3.66 6.68 5.41 -0.60 -4.86 119.36 127.19 2pyk n ILE 15 Ca 0.12 0.24 -0.09 0.00 1.00 0.00 0.00 62.75 64.01 2pyk n ILE 15 Cb 0.39 -2.07 -0.08 0.00 -0.71 0.00 0.00 39.64 37.17 2pyk n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2pyk s LYS 16 N -2.56 0.64 -0.14 0.38 2.20 -0.88 -5.01 119.74 114.38 2pyk s LYS 16 Ca -0.18 1.04 -0.25 0.00 -0.36 0.00 0.00 55.97 56.22 2pyk s LYS 16 Cb 0.03 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2pyk s LYS 16 CO 0.27 -0.14 0.80 0.00 -0.36 0.00 0.00 175.35 175.93 2pyk s ALA 17 N 1.26 3.45 -0.21 3.13 0.00 -1.26 0.23 121.76 128.37 2pyk s ALA 17 Ca -0.07 0.08 0.15 0.00 0.00 0.00 0.00 51.96 52.12 2pyk s ALA 17 Cb -0.06 -3.17 -0.23 0.00 0.00 0.00 0.00 23.12 19.66 2pyk s ALA 17 CO -0.13 -0.50 0.03 -0.89 0.00 0.00 0.00 175.76 174.27 2pyk n ILE 18 N 4.47 1.38 -3.86 0.00 5.41 -0.64 -4.94 119.36 121.18 2pyk n ILE 18 Ca 0.03 -0.81 -0.05 0.00 1.00 0.00 0.00 62.75 62.92 2pyk n ILE 18 Cb 0.50 -0.61 0.02 0.00 -0.71 0.00 0.00 39.64 38.84 2pyk n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2pyk s ASP 19 N -5.61 0.01 0.38 4.38 3.68 -0.73 -4.96 116.67 113.82 2pyk s ASP 19 Ca -0.13 -0.85 0.06 0.00 2.13 0.00 0.00 52.55 53.75 2pyk s ASP 19 Cb 0.06 0.63 0.76 0.00 -1.45 0.00 0.00 42.92 42.92 2pyk s ASP 19 CO 0.78 -1.25 2.00 1.23 0.13 0.00 0.00 175.17 178.06 2pyk h GLY 20 N 2.00 0.59 -1.39 2.66 0.00 -1.83 -3.16 103.07 101.94 2pyk h GLY 20 Ca -0.29 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2pyk h GLY 20 CO 0.38 0.25 0.00 2.09 0.00 0.00 0.00 176.54 179.26 2pyk n ASP 21 N -4.41 2.49 -3.86 0.19 3.85 -1.26 -4.84 116.55 108.71 2pyk n ASP 21 Ca 0.03 -1.72 -0.16 0.00 -0.71 0.00 0.00 54.79 52.23 2pyk n ASP 21 Cb 0.12 -0.04 -0.15 0.00 -1.35 0.00 0.00 41.12 39.70 2pyk n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2pyk s THR 22 N -1.34 0.19 -0.00 2.12 2.01 -1.20 -1.11 115.64 116.31 2pyk s THR 22 Ca 0.21 -0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.17 2pyk s THR 22 Cb 0.14 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.41 2pyk s THR 22 CO 0.21 0.11 0.07 0.54 -0.69 0.00 0.00 174.62 174.86 2pyk s VAL 23 N 0.55 0.07 -0.19 3.82 0.11 -0.46 -1.62 120.40 122.67 2pyk s VAL 23 Ca -0.05 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.32 2pyk s VAL 23 Cb -0.08 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2pyk s VAL 23 CO -0.01 -0.31 0.22 -0.75 -3.33 0.00 0.00 175.10 170.92 2pyk s LYS 24 N -0.99 4.19 0.08 1.54 2.20 0.14 -0.43 119.74 126.47 2pyk s LYS 24 Ca -0.11 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.45 2pyk s LYS 24 Cb -0.06 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2pyk s LYS 24 CO 0.00 0.20 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.60 2pyk s LEU 25 N 0.64 2.39 -0.32 5.43 1.02 0.04 -1.56 118.68 126.31 2pyk s LEU 25 Ca 0.12 -0.79 -0.18 0.00 0.02 0.00 0.00 54.13 53.30 2pyk s LEU 25 Cb -0.13 -0.18 -0.01 0.00 0.02 0.00 0.00 46.19 45.89 2pyk s LEU 25 CO 0.02 -0.31 0.53 -0.32 0.02 0.00 0.00 176.35 176.29 2pyk s MET 26 N -2.73 3.79 -0.11 1.70 -2.45 0.09 -0.51 119.30 119.08 2pyk s MET 26 Ca 0.02 0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.51 2pyk s MET 26 Cb -0.03 -3.75 0.02 0.00 1.25 0.00 0.00 34.83 32.32 2pyk s MET 26 CO -0.02 -0.55 -0.11 -0.47 1.05 0.00 0.00 175.02 174.93 2pyk s TYR 27 N 2.40 1.74 -1.45 4.11 5.04 -0.46 -2.19 117.35 126.54 2pyk s TYR 27 Ca 0.20 -0.86 -0.10 0.00 -2.44 0.00 0.00 57.07 53.87 2pyk s TYR 27 Cb -0.15 -1.34 0.05 0.00 0.35 0.00 0.00 41.96 40.87 2pyk s TYR 27 CO 0.12 -0.51 0.97 1.63 -1.34 0.00 0.00 175.55 176.42 2pyk n LYS 28 N 4.60 -5.92 0.00 4.97 4.76 -1.26 -1.93 118.16 123.38 2pyk n LYS 28 Ca -0.16 0.65 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2pyk n LYS 28 Cb 0.50 -5.52 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 2pyk n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pyk n GLY 29 N -1.71 2.51 3.18 0.72 0.00 -1.26 -5.03 105.19 103.60 2pyk n GLY 29 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 2pyk n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pyk s GLN 30 N -0.18 1.11 0.44 1.61 0.00 -0.81 -5.09 119.66 116.74 2pyk s GLN 30 Ca 0.00 -0.82 -0.26 0.00 -0.00 0.00 0.00 55.36 54.29 2pyk s GLN 30 Cb 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 33.01 31.77 2pyk s GLN 30 CO 0.00 0.29 1.39 -1.25 0.00 0.00 0.00 175.29 175.73 2pyk s PRO 31 N -1.12 3.77 -0.14 9.60 0.04 -1.26 -1.36 135.00 144.53 2pyk s PRO 31 Ca 0.04 2.35 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2pyk s PRO 31 Cb -0.08 -2.69 0.06 0.00 0.04 0.00 0.00 34.50 31.83 2pyk s PRO 31 CO 0.01 -0.72 0.61 1.41 0.04 0.00 0.00 177.00 178.36 2pyk s MET 32 N -2.38 0.85 -0.18 4.56 1.75 0.33 -4.89 119.30 119.35 2pyk s MET 32 Ca 0.60 0.52 -0.14 0.00 -1.25 0.00 0.00 55.69 55.42 2pyk s MET 32 Cb -0.42 0.41 -0.05 0.00 2.84 0.00 0.00 34.83 37.61 2pyk s MET 32 CO 0.54 -0.19 0.28 0.99 -0.65 0.00 0.00 175.02 176.00 2pyk s THR 33 N -0.43 5.30 -0.02 10.11 2.01 -1.26 -0.78 115.64 130.57 2pyk s THR 33 Ca -0.06 0.52 0.04 0.00 0.31 0.00 0.00 61.69 62.50 2pyk s THR 33 Cb -0.03 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2pyk s THR 33 CO 0.05 0.37 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.86 2pyk s PHE 34 N 0.63 2.73 -0.17 4.92 0.40 0.43 -0.12 117.98 126.79 2pyk s PHE 34 Ca 0.15 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.32 2pyk s PHE 34 Cb -0.13 -1.59 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2pyk s PHE 34 CO 0.04 0.25 -0.07 0.50 0.70 0.00 0.00 175.22 176.64 2pyk s ARG 35 N -1.06 3.44 0.03 0.44 6.06 0.80 -1.35 118.95 127.32 2pyk s ARG 35 Ca 0.14 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.73 52.44 2pyk s ARG 35 Cb -0.11 -2.85 -0.07 0.00 0.06 0.00 0.00 34.95 31.98 2pyk s ARG 35 CO 0.03 0.04 1.64 -0.51 -2.50 0.00 0.00 175.30 174.00 2pyk s LEU 36 N 0.84 4.35 0.50 -0.88 1.02 -0.27 -2.80 118.68 121.45 2pyk s LEU 36 Ca -0.02 2.40 -0.23 0.00 0.02 0.00 0.00 54.13 56.30 2pyk s LEU 36 Cb -0.15 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 2pyk s LEU 36 CO 0.01 -0.88 1.30 -0.76 0.02 0.00 0.00 176.35 176.03 2pyk s LEU 37 N 2.99 3.95 -1.57 1.79 1.43 -0.23 -3.82 118.68 123.21 2pyk s LEU 37 Ca 0.73 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 2pyk s LEU 37 Cb -0.38 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2pyk s LEU 37 CO 0.31 -1.28 0.00 0.18 0.23 0.00 0.00 176.35 175.79 2pyk n LEU 38 N -0.71 -1.00 -4.19 1.79 4.77 -1.26 -4.94 117.00 111.47 2pyk n LEU 38 Ca 0.08 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 2pyk n LEU 38 Cb 0.46 -2.35 -0.13 0.00 -2.33 0.00 0.00 43.42 39.07 2pyk n LEU 38 CO 0.52 -0.86 -0.48 0.68 -1.33 0.00 0.00 177.39 175.92 2pyk s VAL 39 N -2.23 1.28 -0.22 4.08 -7.23 -1.25 -1.38 120.40 113.45 2pyk s VAL 39 Ca 0.00 -1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2pyk s VAL 39 Cb 0.00 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.82 2pyk s VAL 39 CO 0.00 -0.07 -0.03 -1.81 -0.31 0.00 0.00 175.10 172.87 2pyk s ASP 40 N -1.51 3.61 0.12 4.85 1.01 -0.05 -4.68 116.67 120.02 2pyk s ASP 40 Ca 0.02 -1.08 0.03 0.00 0.71 0.00 0.00 52.55 52.23 2pyk s ASP 40 Cb -0.09 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 2pyk s ASP 40 CO 0.02 -0.25 0.13 0.42 0.21 0.00 0.00 175.17 175.70 2pyk s THR 41 N 1.51 4.66 0.34 -1.27 -4.23 -1.26 -1.59 115.64 113.79 2pyk s THR 41 Ca -0.05 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.33 2pyk s THR 41 Cb -0.18 -3.31 -0.12 0.00 1.34 0.00 0.00 72.50 70.22 2pyk s THR 41 CO -0.07 0.02 1.35 -2.65 -0.54 0.00 0.00 174.62 172.73 2pyk n PRO 42 N 0.05 2.24 -2.81 3.99 -0.02 -1.26 -4.92 135.00 132.28 2pyk n PRO 42 Ca -0.08 0.79 -0.36 0.00 -2.02 0.00 0.00 63.50 61.83 2pyk n PRO 42 Cb 0.53 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2pyk n PRO 42 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2pyk s GLU 43 N -1.72 4.45 -0.12 -0.52 2.56 -1.26 -4.41 118.70 117.68 2pyk s GLU 43 Ca 0.57 1.24 0.19 0.00 0.00 0.00 0.00 54.97 56.96 2pyk s GLU 43 Cb -0.56 -2.60 -0.27 0.00 2.00 0.00 0.00 34.13 32.71 2pyk s GLU 43 CO 0.61 0.18 0.23 2.41 -0.56 0.00 0.00 175.26 178.12 2pyk n THR 44 N 0.17 0.77 -3.27 -1.70 -1.04 -1.26 0.10 114.28 108.04 2pyk n THR 44 Ca 0.03 -0.67 -0.24 0.00 -2.04 0.00 0.00 64.05 61.14 2pyk n THR 44 Cb 0.51 -0.28 -0.08 0.00 -1.82 0.00 0.00 70.33 68.67 2pyk n THR 44 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pyk n LYS 45 N -2.51 0.33 -4.02 -2.82 2.85 -1.26 -4.76 118.16 105.98 2pyk n LYS 45 Ca -0.20 -3.02 -0.31 0.00 -1.05 0.00 0.00 58.31 53.72 2pyk n LYS 45 Cb 0.88 -1.56 -0.15 0.00 -0.65 0.00 0.00 35.03 33.55 2pyk n LYS 45 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2pyk s VAL 51 N -0.06 1.90 0.65 0.58 1.01 -1.26 -5.28 120.40 117.94 2pyk s VAL 51 Ca 0.33 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.75 2pyk s VAL 51 Cb 0.06 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.37 2pyk s VAL 51 CO -0.17 -0.05 1.03 -1.61 0.00 0.00 0.00 175.10 174.29 2pyk s GLU 52 N 1.22 3.03 0.29 2.72 2.02 0.11 -4.96 118.70 123.14 2pyk s GLU 52 Ca -0.08 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 2pyk s GLU 52 Cb -0.19 -2.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.81 2pyk s GLU 52 CO -0.06 -0.84 1.59 1.17 0.02 0.00 0.00 175.26 177.15 2pyk n LYS 53 N -2.83 2.67 -0.78 1.61 3.00 -1.26 -1.12 118.16 119.45 2pyk n LYS 53 Ca 0.06 0.95 0.00 0.00 -0.00 0.00 0.00 58.31 59.32 2pyk n LYS 53 Cb 0.57 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.87 2pyk n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pyk n TYR 54 N 2.20 0.00 0.23 5.64 4.01 -1.26 -4.70 117.16 123.28 2pyk n TYR 54 Ca 0.09 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.68 2pyk n TYR 54 Cb 0.36 -0.91 -0.08 0.00 -0.31 0.00 0.00 39.34 38.40 2pyk n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pyk h GLY 55 N 0.00 -0.59 2.00 2.72 0.00 -1.33 -0.36 103.07 105.51 2pyk h GLY 55 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2pyk h GLY 55 CO 0.00 -0.21 -0.06 -0.56 0.00 0.00 0.00 176.54 175.70 2pyk h PRO 56 N -0.71 0.00 -0.19 4.80 0.13 -1.87 -0.99 132.00 133.17 2pyk h PRO 56 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2pyk h PRO 56 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2pyk h PRO 56 CO 0.09 0.06 -0.23 0.93 -0.23 0.00 0.00 178.00 178.63 2pyk h GLU 57 N 0.00 0.48 -0.37 0.86 3.07 -1.85 -1.79 114.58 114.99 2pyk h GLU 57 Ca -0.00 -0.27 -0.01 0.00 -0.50 0.00 0.00 59.36 58.57 2pyk h GLU 57 Cb 0.15 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 2pyk h GLU 57 CO 0.01 0.86 0.18 0.00 -1.40 0.00 0.00 179.01 178.66 2pyk h ALA 58 N 0.62 0.47 -0.37 3.43 0.00 -0.64 -1.07 119.26 121.70 2pyk h ALA 58 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2pyk h ALA 58 Cb 0.79 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2pyk h ALA 58 CO 0.06 0.03 0.20 0.77 0.00 0.00 0.00 179.25 180.30 2pyk h SER 59 N 0.45 0.30 0.01 0.00 0.02 -1.18 -1.54 113.55 111.61 2pyk h SER 59 Ca 0.13 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 2pyk h SER 59 Cb 0.11 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2pyk h SER 59 CO -0.02 0.22 -0.26 0.00 -1.14 0.00 0.00 176.83 175.63 2pyk h ALA 60 N 1.18 1.15 0.34 3.77 0.00 -1.17 -1.67 119.26 122.87 2pyk h ALA 60 Ca 0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2pyk h ALA 60 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pyk h ALA 60 CO -0.09 0.54 -0.16 0.35 0.00 0.00 0.00 179.25 179.88 2pyk h PHE 61 N 0.36 -0.42 -0.36 0.00 3.57 -0.71 -0.16 116.94 119.21 2pyk h PHE 61 Ca 0.05 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2pyk h PHE 61 Cb 0.66 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2pyk h PHE 61 CO 0.02 -0.14 0.14 1.15 -2.23 0.00 0.00 178.31 177.25 2pyk h THR 62 N -0.65 0.91 0.43 4.41 2.02 -1.22 -1.29 112.91 117.52 2pyk h THR 62 Ca -0.05 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2pyk h THR 62 Cb 0.47 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2pyk h THR 62 CO 0.08 0.06 -0.28 0.50 0.37 0.00 0.00 175.52 176.24 2pyk h LYS 63 N 0.30 -0.66 -0.59 6.66 3.64 -1.26 -2.44 116.57 122.21 2pyk h LYS 63 Ca 0.16 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2pyk h LYS 63 Cb 0.12 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2pyk h LYS 63 CO -0.15 -0.44 0.36 -0.22 -2.27 0.00 0.00 179.45 176.72 2pyk h LYS 64 N -0.69 0.69 -0.68 1.90 3.64 -0.91 0.66 116.57 121.18 2pyk h LYS 64 Ca -0.05 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2pyk h LYS 64 Cb 0.57 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2pyk h LYS 64 CO 0.04 0.45 0.45 1.98 -2.27 0.00 0.00 179.45 180.10 2pyk h MET 65 N 0.71 0.89 0.06 1.90 4.05 -1.17 -2.45 114.93 118.92 2pyk h MET 65 Ca 0.24 -0.05 -0.31 0.00 -0.28 0.00 0.00 59.70 59.30 2pyk h MET 65 Cb 0.03 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.60 2pyk h MET 65 CO -0.11 0.59 -1.68 1.96 0.23 0.00 0.00 176.91 177.90 2pyk h GLN 66 N 0.92 0.14 0.00 0.39 4.20 -0.95 -3.27 115.11 116.53 2pyk h GLN 66 Ca 0.25 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 2pyk h GLN 66 Cb -0.11 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2pyk h GLN 66 CO -0.05 0.88 -0.36 0.93 -0.67 0.00 0.00 178.83 179.56 2pyk h GLU 67 N 0.04 0.00 -0.01 1.46 5.08 -0.82 -3.02 114.58 117.31 2pyk h GLU 67 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2pyk h GLU 67 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2pyk h GLU 67 CO 0.11 0.36 -0.17 0.09 -1.00 0.00 0.00 179.01 178.40 2pyk n ASN 68 N -3.93 1.40 -4.84 1.42 5.03 -0.93 -4.94 115.26 108.46 2pyk n ASN 68 Ca -0.02 -1.23 -0.32 0.00 0.87 0.00 0.00 54.58 53.89 2pyk n ASN 68 Cb 0.42 0.10 -0.04 0.00 -1.02 0.00 0.00 39.78 39.24 2pyk n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pyk s ALA 69 N -2.29 3.15 -0.06 5.41 0.00 -1.14 -4.99 121.76 121.84 2pyk s ALA 69 Ca 0.29 0.14 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 2pyk s ALA 69 Cb 0.20 -3.00 -0.29 0.00 0.00 0.00 0.00 23.12 20.02 2pyk s ALA 69 CO 0.44 -0.04 0.63 0.87 0.00 0.00 0.00 175.76 177.66 2pyk h LYS 70 N 1.36 0.34 -4.86 0.00 1.57 -1.92 -3.47 116.57 109.60 2pyk h LYS 70 Ca -0.47 -0.59 -0.44 0.00 -1.87 0.00 0.00 60.65 57.28 2pyk h LYS 70 Cb 1.18 0.22 -0.30 0.00 0.08 0.00 0.00 32.23 33.41 2pyk h LYS 70 CO 0.62 1.25 -0.79 0.15 -0.57 0.00 0.00 179.45 180.11 2pyk s LYS 71 N -2.58 0.98 -0.08 3.15 1.02 -1.26 -5.02 119.74 115.95 2pyk s LYS 71 Ca -0.16 -0.38 0.05 0.00 0.02 0.00 0.00 55.97 55.50 2pyk s LYS 71 Cb 0.06 -0.93 -0.00 0.00 -0.52 0.00 0.00 37.83 36.44 2pyk s LYS 71 CO 0.84 0.20 -0.23 0.42 -0.92 0.00 0.00 175.35 175.66 2pyk s ILE 72 N -0.08 1.92 0.06 2.17 -1.09 -1.26 -0.76 121.20 122.16 2pyk s ILE 72 Ca 0.01 -0.96 0.04 0.00 -2.23 0.00 0.00 60.65 57.51 2pyk s ILE 72 Cb -0.06 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.14 2pyk s ILE 72 CO 0.00 0.53 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.51 2pyk s GLU 73 N 0.15 0.76 0.04 2.79 2.02 -0.59 -1.84 118.70 122.04 2pyk s GLU 73 Ca -0.12 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.06 2pyk s GLU 73 Cb -0.16 -0.72 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 2pyk s GLU 73 CO 0.06 0.16 -0.17 0.14 0.02 0.00 0.00 175.26 175.47 2pyk s VAL 74 N -1.24 2.86 -0.19 2.63 -7.23 0.06 -0.83 120.40 116.46 2pyk s VAL 74 Ca -0.03 -1.14 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2pyk s VAL 74 Cb -0.10 -2.20 0.06 0.00 0.56 0.00 0.00 36.38 34.70 2pyk s VAL 74 CO 0.02 0.35 0.03 -0.70 -0.31 0.00 0.00 175.10 174.49 2pyk s GLU 75 N -1.42 0.69 0.51 4.82 2.12 -0.14 -1.09 118.70 124.18 2pyk s GLU 75 Ca 0.15 -0.43 -0.17 0.00 0.36 0.00 0.00 54.97 54.88 2pyk s GLU 75 Cb -0.11 -2.09 -0.08 0.00 0.26 0.00 0.00 34.13 32.11 2pyk s GLU 75 CO 0.05 -0.63 0.99 -0.06 -0.54 0.00 0.00 175.26 175.07 2pyk s PHE 76 N 1.85 3.37 0.33 5.30 0.40 -1.26 -1.33 117.98 126.64 2pyk s PHE 76 Ca -0.01 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.83 2pyk s PHE 76 Cb -0.17 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.59 2pyk s PHE 76 CO -0.08 -0.40 0.45 -3.47 0.70 0.00 0.00 175.22 172.42 2pyk n ASP 77 N -1.44 0.75 -0.23 1.36 -0.08 -1.26 -4.67 116.55 110.97 2pyk n ASP 77 Ca 0.07 -1.60 0.14 0.00 -1.51 0.00 0.00 54.79 51.89 2pyk n ASP 77 Cb 0.54 -0.28 0.61 0.00 2.34 0.00 0.00 41.12 44.33 2pyk n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2pyk n LYS 78 N -1.80 1.08 0.00 -0.67 2.85 -1.26 -4.88 118.16 113.48 2pyk n LYS 78 Ca 0.08 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.87 2pyk n LYS 78 Cb 0.28 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.17 2pyk n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2pyk n GLY 79 N 1.20 1.39 3.77 2.58 0.00 -1.25 -4.95 105.19 107.93 2pyk n GLY 79 Ca 0.17 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2pyk n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pyk s GLN 80 N 2.52 4.16 0.02 1.61 -0.21 -1.17 -4.93 119.66 121.65 2pyk s GLN 80 Ca 0.00 2.50 0.23 0.00 0.02 0.00 0.00 55.36 58.11 2pyk s GLN 80 Cb 0.00 -3.00 0.11 0.00 1.00 0.00 0.00 33.01 31.13 2pyk s GLN 80 CO 0.00 -0.47 1.11 0.54 -2.12 0.00 0.00 175.29 174.35 2pyk n ARG 81 N 0.71 0.10 -3.94 2.91 5.12 -1.26 -4.81 116.66 115.49 2pyk n ARG 81 Ca 0.01 -0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 2pyk n ARG 81 Cb 0.40 -1.53 -0.12 0.00 -1.16 0.00 0.00 32.46 30.05 2pyk n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2pyk s THR 82 N -3.07 0.08 0.54 0.55 -4.23 -1.26 -0.22 115.64 108.03 2pyk s THR 82 Ca 0.07 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2pyk s THR 82 Cb 0.16 -0.21 0.11 0.00 1.34 0.00 0.00 72.50 73.90 2pyk s THR 82 CO 0.79 -0.36 0.74 -0.90 -0.54 0.00 0.00 174.62 174.34 2pyk n ASP 83 N 1.97 0.71 0.29 3.99 5.68 -0.37 -4.93 116.55 123.88 2pyk n ASP 83 Ca -0.21 -1.66 0.16 0.00 -0.50 0.00 0.00 54.79 52.58 2pyk n ASP 83 Cb 0.56 -0.51 0.87 0.00 -1.14 0.00 0.00 41.12 40.91 2pyk n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pyk h LYS 84 N 0.00 0.00 -0.34 0.11 2.10 -2.02 -1.74 116.57 114.68 2pyk h LYS 84 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 2pyk h LYS 84 Cb 0.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2pyk h LYS 84 CO 0.23 0.06 0.00 0.66 -2.00 0.00 0.00 179.45 178.40 2pyk n TYR 85 N -3.43 0.44 -0.87 0.07 4.02 -1.26 -4.92 117.16 111.21 2pyk n TYR 85 Ca -0.02 -0.22 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 2pyk n TYR 85 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.51 2pyk n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pyk n GLY 86 N 1.17 0.69 3.79 2.72 0.00 -0.65 -5.04 105.19 107.86 2pyk n GLY 86 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2pyk n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pyk s ARG 87 N -0.13 4.49 0.36 1.61 0.52 -1.26 -4.75 118.95 119.78 2pyk s ARG 87 Ca 0.00 1.09 -0.26 0.00 -0.52 0.00 0.00 55.73 56.04 2pyk s ARG 87 Cb 0.00 -3.15 -0.09 0.00 0.52 0.00 0.00 34.95 32.23 2pyk s ARG 87 CO 0.00 0.52 1.11 0.20 0.02 0.00 0.00 175.30 177.15 2pyk s GLY 88 N -1.28 2.88 -0.34 -3.53 0.00 0.82 -1.24 107.32 104.63 2pyk s GLY 88 Ca 0.38 0.85 -0.08 0.00 0.00 0.00 0.00 44.72 45.87 2pyk s GLY 88 CO 0.25 1.36 0.14 1.08 0.00 0.00 0.00 173.10 175.93 2pyk s LEU 89 N -2.23 4.38 0.27 0.66 1.43 0.69 -0.14 118.68 123.74 2pyk s LEU 89 Ca 0.53 -0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 2pyk s LEU 89 Cb -0.28 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.01 2pyk s LEU 89 CO 0.35 -0.32 0.56 0.00 0.23 0.00 0.00 176.35 177.18 2pyk s ALA 90 N 1.49 -0.47 -0.15 4.21 0.00 -1.12 -4.33 121.76 121.39 2pyk s ALA 90 Ca 0.01 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2pyk s ALA 90 Cb -0.19 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.88 2pyk s ALA 90 CO 0.04 -0.91 0.20 0.71 0.00 0.00 0.00 175.76 175.80 2pyk s TYR 91 N -3.85 3.51 -0.08 0.00 2.02 -0.44 -1.07 117.35 117.44 2pyk s TYR 91 Ca 0.19 0.52 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 2pyk s TYR 91 Cb -0.02 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 2pyk s TYR 91 CO 0.09 0.46 -0.14 0.42 -1.57 0.00 0.00 175.55 174.81 2pyk s ILE 92 N -0.20 3.05 -0.03 2.71 -1.09 -1.26 -0.97 121.20 123.41 2pyk s ILE 92 Ca 0.14 -0.70 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 2pyk s ILE 92 Cb -0.12 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2pyk s ILE 92 CO 0.03 0.56 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.81 2pyk s TYR 93 N -0.29 2.57 -0.22 3.97 2.02 -0.01 0.27 117.35 125.66 2pyk s TYR 93 Ca 0.02 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.48 2pyk s TYR 93 Cb -0.13 -1.57 0.05 0.00 -0.40 0.00 0.00 41.96 39.91 2pyk s TYR 93 CO 0.03 0.13 -0.11 0.00 -1.57 0.00 0.00 175.55 174.02 2pyk s ALA 94 N -0.72 2.25 -1.35 3.71 0.00 0.60 -1.54 121.76 124.71 2pyk s ALA 94 Ca 0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 2pyk s ALA 94 Cb -0.10 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 2pyk s ALA 94 CO 0.01 -0.95 0.51 -0.25 0.00 0.00 0.00 175.76 175.08 2pyk n ASP 95 N 4.58 -1.06 0.00 0.00 10.43 0.06 -1.08 116.55 129.48 2pyk n ASP 95 Ca -0.15 -0.98 0.00 0.00 2.57 0.00 0.00 54.79 56.23 2pyk n ASP 95 Cb 0.45 -3.26 0.00 0.00 1.84 0.00 0.00 41.12 40.15 2pyk n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pyk n GLY 96 N -1.88 2.61 3.73 0.44 0.00 -1.26 -5.00 105.19 103.83 2pyk n GLY 96 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2pyk n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyk s LYS 97 N 0.00 4.19 -0.12 1.61 1.02 -0.24 -5.03 119.74 121.17 2pyk s LYS 97 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 2pyk s LYS 97 Cb 0.00 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 2pyk s LYS 97 CO 0.00 0.30 1.25 1.41 -0.92 0.00 0.00 175.35 177.39 2pyk s MET 98 N 0.36 4.27 0.23 1.68 -2.45 -1.26 -0.29 119.30 121.84 2pyk s MET 98 Ca 0.09 1.68 -0.06 0.00 -1.25 0.00 0.00 55.69 56.15 2pyk s MET 98 Cb -0.11 -3.69 0.21 0.00 1.25 0.00 0.00 34.83 32.49 2pyk s MET 98 CO -0.01 -0.62 1.77 0.28 1.05 0.00 0.00 175.02 177.49 2pyk h VAL 99 N 5.32 1.25 -0.41 10.11 2.07 -0.54 -1.75 116.25 132.31 2pyk h VAL 99 Ca -0.29 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.40 2pyk h VAL 99 Cb 1.12 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 2pyk h VAL 99 CO 0.94 0.35 0.08 0.78 0.02 0.00 0.00 177.57 179.74 2pyk h ASN 100 N 1.03 0.01 -0.25 0.57 4.21 -1.92 -1.76 115.58 117.48 2pyk h ASN 100 Ca 0.22 0.07 -0.04 0.00 1.21 0.00 0.00 56.30 57.76 2pyk h ASN 100 Cb 0.31 0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2pyk h ASN 100 CO -0.01 0.04 0.00 -0.08 -1.29 0.00 0.00 177.43 176.10 2pyk h GLU 101 N 0.21 0.44 -0.76 0.81 4.81 -1.86 -2.92 114.58 115.32 2pyk h GLU 101 Ca 0.20 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2pyk h GLU 101 Cb 0.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2pyk h GLU 101 CO -0.25 0.61 0.46 0.00 -0.73 0.00 0.00 179.01 179.09 2pyk h ALA 102 N 0.81 1.02 -0.11 2.92 0.00 -1.11 0.05 119.26 122.85 2pyk h ALA 102 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2pyk h ALA 102 Cb 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2pyk h ALA 102 CO 0.01 0.19 0.01 -0.07 0.00 0.00 0.00 179.25 179.39 2pyk h LEU 103 N 0.86 -0.03 -0.18 0.00 3.38 -1.27 -1.29 115.31 116.77 2pyk h LEU 103 Ca 0.33 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.30 2pyk h LEU 103 Cb 0.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2pyk h LEU 103 CO -0.16 0.00 0.05 0.58 0.09 0.00 0.00 178.44 179.01 2pyk h VAL 104 N 0.05 1.19 -0.75 1.22 2.07 -1.27 0.56 116.25 119.31 2pyk h VAL 104 Ca 0.05 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.03 2pyk h VAL 104 Cb 0.05 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 2pyk h VAL 104 CO -0.08 0.19 0.49 -0.09 0.02 0.00 0.00 177.57 178.10 2pyk h ARG 105 N 0.12 0.77 -0.00 1.57 9.65 -0.84 0.11 114.38 125.75 2pyk h ARG 105 Ca 0.06 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2pyk h ARG 105 Cb 0.24 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 2pyk h ARG 105 CO -0.00 0.51 -0.01 0.94 2.80 0.00 0.00 179.97 184.21 2pyk n GLN 106 N -4.48 1.10 -2.27 0.20 -0.06 -0.50 -4.42 117.38 106.95 2pyk n GLN 106 Ca 0.11 -0.22 -0.08 0.00 -2.00 0.00 0.00 57.00 54.81 2pyk n GLN 106 Cb 0.23 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 2pyk n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2pyk n GLY 107 N 1.06 0.08 0.69 1.69 0.00 0.37 -4.51 105.19 104.56 2pyk n GLY 107 Ca 0.22 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.80 2pyk n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pyk n LEU 108 N -1.35 3.15 -3.55 0.99 4.77 0.16 -2.05 117.00 119.13 2pyk n LEU 108 Ca -0.08 -2.25 -0.12 0.00 -0.03 0.00 0.00 56.01 53.53 2pyk n LEU 108 Cb 0.57 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2pyk n LEU 108 CO 0.13 0.71 0.68 0.00 -1.33 0.00 0.00 177.39 177.58 2pyk s ALA 109 N -1.46 -1.87 0.21 -1.18 0.00 -1.22 -4.42 121.76 111.83 2pyk s ALA 109 Ca 0.27 1.38 0.06 0.00 0.00 0.00 0.00 51.96 53.67 2pyk s ALA 109 Cb 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2pyk s ALA 109 CO 0.14 -0.41 0.17 0.15 0.00 0.00 0.00 175.76 175.80 2pyk s LYS 110 N -1.62 2.91 0.07 0.00 1.02 -0.62 -4.45 119.74 117.05 2pyk s LYS 110 Ca -0.02 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 2pyk s LYS 110 Cb -0.00 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 2pyk s LYS 110 CO 0.01 0.44 1.01 0.08 -0.92 0.00 0.00 175.35 175.97 2pyk s VAL 111 N -1.94 4.55 0.65 3.17 1.01 -1.26 -0.87 120.40 125.71 2pyk s VAL 111 Ca 0.32 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 64.23 2pyk s VAL 111 Cb -0.09 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2pyk s VAL 111 CO 0.24 0.23 0.92 0.00 0.00 0.00 0.00 175.10 176.49 2pyk s ALA 112 N 0.50 3.44 0.39 5.51 0.00 -0.48 -4.83 121.76 126.31 2pyk s ALA 112 Ca 0.50 -1.08 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 2pyk s ALA 112 Cb -0.24 -2.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.40 2pyk s ALA 112 CO 0.29 -1.09 1.17 0.71 0.00 0.00 0.00 175.76 176.84 2pyk s TYR 113 N -3.06 3.10 0.16 0.00 1.51 -1.26 -4.84 117.35 112.97 2pyk s TYR 113 Ca 0.59 1.56 -0.33 0.00 -1.01 0.00 0.00 57.07 57.88 2pyk s TYR 113 Cb -0.11 -3.39 -0.13 0.00 -0.11 0.00 0.00 41.96 38.22 2pyk s TYR 113 CO 0.42 -1.27 1.67 0.28 -1.11 0.00 0.00 175.55 175.54 2pyk n VAL 114 N 0.17 0.06 -3.87 0.71 0.31 -1.26 -4.86 118.33 109.60 2pyk n VAL 114 Ca 0.04 -0.01 -0.36 0.00 -0.01 0.00 0.00 64.34 64.00 2pyk n VAL 114 Cb 0.46 -1.78 -0.13 0.00 -0.91 0.00 0.00 33.84 31.48 2pyk n VAL 114 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 2pyk s TYR 115 N 1.33 3.03 -1.44 3.52 5.04 -1.26 -4.78 117.35 122.79 2pyk s TYR 115 Ca 0.78 -0.63 -0.09 0.00 -2.44 0.00 0.00 57.07 54.69 2pyk s TYR 115 Cb -0.59 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 39.57 2pyk s TYR 115 CO 0.36 -0.42 0.25 1.63 -1.34 0.00 0.00 175.55 176.04 2pyk n LYS 116 N 4.76 -1.14 -0.99 4.97 4.76 -1.26 -1.32 118.16 127.95 2pyk n LYS 116 Ca -0.17 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2pyk n LYS 116 Cb 0.51 -3.49 0.00 0.00 -1.84 0.00 0.00 35.03 30.21 2pyk n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pyk n GLY 117 N -2.35 0.65 3.43 0.72 0.00 -1.26 -3.04 105.19 103.33 2pyk n GLY 117 Ca -0.27 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.31 2pyk n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pyk s ASN 118 N -2.35 7.00 -0.01 1.61 0.01 -0.43 -3.86 114.94 116.90 2pyk s ASN 118 Ca 0.00 -2.88 0.08 0.00 -0.71 0.00 0.00 52.86 49.35 2pyk s ASN 118 Cb 0.00 -2.35 0.14 0.00 0.41 0.00 0.00 41.25 39.45 2pyk s ASN 118 CO 0.00 -0.71 1.06 -0.46 -1.51 0.00 0.00 177.10 175.48 2pyk n ASN 119 N 5.14 0.45 -0.32 -1.22 0.23 -1.26 -4.31 115.26 113.97 2pyk n ASN 119 Ca 0.30 -2.12 0.09 0.00 -0.53 0.00 0.00 54.58 52.32 2pyk n ASN 119 Cb 0.44 -0.25 0.26 0.00 -2.08 0.00 0.00 39.78 38.15 2pyk n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2pyk h THR 120 N 6.40 0.72 -0.44 5.53 2.02 -2.02 -2.30 112.91 122.82 2pyk h THR 120 Ca -0.06 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2pyk h THR 120 Cb 1.49 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2pyk h THR 120 CO 0.03 0.12 0.00 1.41 0.37 0.00 0.00 175.52 177.45 2pyk n HIS 121 N -4.84 1.55 -0.33 3.16 8.25 -1.26 -4.63 115.22 117.12 2pyk n HIS 121 Ca 0.19 -0.78 -0.03 0.00 -0.26 0.00 0.00 57.72 56.84 2pyk n HIS 121 Cb 0.49 -0.41 0.09 0.00 1.12 0.00 0.00 29.99 31.28 2pyk n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2pyk h GLU 122 N 3.04 1.19 -0.23 -0.41 4.81 -1.76 -1.57 114.58 119.65 2pyk h GLU 122 Ca 0.00 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2pyk h GLU 122 Cb 1.71 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 2pyk h GLU 122 CO 0.36 0.79 -0.03 1.96 -0.73 0.00 0.00 179.01 181.36 2pyk h GLN 123 N 1.22 0.42 -0.42 1.92 1.08 -1.82 0.13 115.11 117.64 2pyk h GLN 123 Ca 0.33 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.46 2pyk h GLN 123 Cb -0.13 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.20 2pyk h GLN 123 CO -0.07 0.64 0.00 1.25 -0.95 0.00 0.00 178.83 179.70 2pyk h LEU 124 N 0.16 -0.17 -0.88 1.46 5.85 -1.84 0.50 115.31 120.40 2pyk h LEU 124 Ca 0.06 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2pyk h LEU 124 Cb 0.47 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2pyk h LEU 124 CO 0.02 -0.05 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.63 2pyk h LEU 125 N 0.11 0.39 -0.49 2.25 3.38 -1.13 -2.14 115.31 117.68 2pyk h LEU 125 Ca 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pyk h LEU 125 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2pyk h LEU 125 CO -0.35 0.73 0.23 -0.09 0.09 0.00 0.00 178.44 179.06 2pyk h ARG 126 N 0.32 0.71 -0.58 1.13 9.65 0.17 -1.16 114.38 124.63 2pyk h ARG 126 Ca 0.03 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2pyk h ARG 126 Cb 0.80 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 2pyk h ARG 126 CO 0.06 0.60 0.33 0.87 2.80 0.00 0.00 179.97 184.64 2pyk h LYS 127 N 0.65 0.79 -0.79 0.20 1.57 -0.67 -1.83 116.57 116.50 2pyk h LYS 127 Ca 0.17 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2pyk h LYS 127 Cb 0.13 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2pyk h LYS 127 CO -0.02 0.59 0.41 0.00 -0.57 0.00 0.00 179.45 179.86 2pyk h ALA 128 N 1.16 1.23 -0.41 3.86 0.00 -1.08 -2.64 119.26 121.38 2pyk h ALA 128 Ca 0.21 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2pyk h ALA 128 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2pyk h ALA 128 CO -0.04 0.61 -0.17 1.49 0.00 0.00 0.00 179.25 181.14 2pyk h GLU 129 N 1.12 0.84 -0.92 0.00 4.81 -0.90 -1.90 114.58 117.62 2pyk h GLU 129 Ca 0.28 -0.35 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2pyk h GLU 129 Cb 0.07 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.36 2pyk h GLU 129 CO -0.04 0.99 0.59 0.00 -0.73 0.00 0.00 179.01 179.82 2pyk h ALA 130 N 0.83 1.23 -0.42 2.92 0.00 -1.14 -0.55 119.26 122.12 2pyk h ALA 130 Ca 0.09 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 2pyk h ALA 130 Cb 0.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2pyk h ALA 130 CO 0.05 0.44 -0.25 0.37 0.00 0.00 0.00 179.25 179.86 2pyk h GLN 131 N 1.14 0.92 -0.28 0.00 5.75 -1.34 -0.14 115.11 121.16 2pyk h GLN 131 Ca 0.37 -0.42 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 2pyk h GLN 131 Cb 0.03 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2pyk h GLN 131 CO -0.13 1.08 -0.06 0.00 -2.65 0.00 0.00 178.83 177.07 2pyk h ALA 132 N 0.82 1.38 -0.03 3.38 0.00 -0.87 -1.19 119.26 122.74 2pyk h ALA 132 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2pyk h ALA 132 Cb 0.83 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pyk h ALA 132 CO 0.07 0.43 -0.00 -0.22 0.00 0.00 0.00 179.25 179.53 2pyk h LYS 133 N 0.42 0.06 -0.45 0.00 3.64 -0.75 -1.01 116.57 118.47 2pyk h LYS 133 Ca 0.09 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2pyk h LYS 133 Cb 0.37 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2pyk h LYS 133 CO 0.02 0.36 0.30 0.87 -2.27 0.00 0.00 179.45 178.72 2pyk h LYS 134 N -0.24 0.54 -0.01 1.90 1.57 -0.67 -0.53 116.57 119.13 2pyk h LYS 134 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2pyk h LYS 134 Cb 0.33 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2pyk h LYS 134 CO 0.00 0.36 -0.08 0.39 -0.57 0.00 0.00 179.45 179.55 2pyk n GLU 135 N -4.47 1.06 -3.86 3.15 1.02 -0.48 -4.93 120.64 112.13 2pyk n GLU 135 Ca 0.04 -0.46 -0.26 0.00 -0.02 0.00 0.00 57.16 56.46 2pyk n GLU 135 Cb 0.10 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.05 2pyk n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pyk n LYS 136 N -0.57 -4.66 -2.89 3.49 5.02 -0.21 -4.93 118.16 113.41 2pyk n LYS 136 Ca 0.17 0.55 -0.40 0.00 -2.02 0.00 0.00 58.31 56.61 2pyk n LYS 136 Cb 0.28 -5.14 -0.05 0.00 -0.02 0.00 0.00 35.03 30.11 2pyk n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pyk s LEU 137 N -6.97 4.46 0.00 -0.35 1.43 -0.78 -3.85 118.68 112.62 2pyk s LEU 137 Ca 0.26 1.56 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2pyk s LEU 137 Cb -0.13 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2pyk s LEU 137 CO 0.84 -0.03 0.00 0.59 0.23 0.00 0.00 176.35 177.98 2pyk n ASN 138 N 2.89 0.00 -0.38 2.29 3.02 -1.26 -0.35 115.26 121.48 2pyk n ASN 138 Ca -0.00 0.00 0.30 0.00 -0.03 0.00 0.00 54.58 54.85 2pyk n ASN 138 Cb 0.50 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.27 2pyk n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2pyk h ILE 139 N 0.00 0.35 -0.21 2.41 2.04 -1.74 1.04 117.51 121.41 2pyk h ILE 139 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2pyk h ILE 139 Cb 0.00 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2pyk h ILE 139 CO 0.00 0.04 0.00 0.79 0.00 0.00 0.00 178.15 178.98 2pyk n TRP 140 N -4.58 0.36 0.88 1.37 7.02 0.53 -5.14 117.44 117.88 2pyk n TRP 140 Ca 0.30 -0.16 0.07 0.00 -1.02 0.00 0.00 57.50 56.69 2pyk n TRP 140 Cb 1.15 -0.05 0.42 0.00 -2.42 0.00 0.00 31.31 30.41 2pyk n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10