#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snd s HIS 8 N 0.00 2.91 0.34 -1.77 2.46 -1.26 -4.94 115.29 113.04 1snd s HIS 8 Ca 0.00 -0.38 -0.18 0.00 0.47 0.00 0.00 55.06 54.97 1snd s HIS 8 Cb 0.00 -1.86 -0.09 0.00 -0.13 0.00 0.00 32.58 30.49 1snd s HIS 8 CO 0.00 -0.04 0.81 0.15 -2.47 0.00 0.00 174.74 173.18 1snd s LYS 9 N 0.14 4.13 -0.06 2.88 1.02 -1.26 -3.90 119.74 122.69 1snd s LYS 9 Ca -0.04 0.86 -0.09 0.00 0.02 0.00 0.00 55.97 56.71 1snd s LYS 9 Cb -0.14 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1snd s LYS 9 CO 0.04 0.14 0.24 -1.21 -0.92 0.00 0.00 175.35 173.64 1snd s GLU 10 N -2.86 0.38 0.75 1.68 0.41 -0.66 -4.97 118.70 113.44 1snd s GLU 10 Ca 0.55 0.14 -0.11 0.00 -0.41 0.00 0.00 54.97 55.13 1snd s GLU 10 Cb -0.11 0.18 0.04 0.00 -1.78 0.00 0.00 34.13 32.45 1snd s GLU 10 CO 0.17 -0.07 1.08 -1.25 -0.49 0.00 0.00 175.26 174.70 1snd s PRO 11 N -0.35 2.50 -0.14 0.39 0.04 -1.26 -0.60 135.00 135.57 1snd s PRO 11 Ca -0.05 0.98 -0.27 0.00 0.04 0.00 0.00 61.00 61.70 1snd s PRO 11 Cb -0.03 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1snd s PRO 11 CO 0.01 -1.42 0.67 0.00 0.04 0.00 0.00 177.00 176.30 1snd s ALA 12 N -3.00 -1.70 -0.14 8.56 0.00 -1.06 -4.68 121.76 119.73 1snd s ALA 12 Ca 0.60 1.56 -0.05 0.00 0.00 0.00 0.00 51.96 54.07 1snd s ALA 12 Cb -0.15 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1snd s ALA 12 CO 0.55 -0.35 0.04 0.99 0.00 0.00 0.00 175.76 177.00 1snd s THR 13 N -0.51 4.62 0.58 0.00 2.01 -0.93 -3.97 115.64 117.44 1snd s THR 13 Ca -0.06 -0.11 -0.19 0.00 0.31 0.00 0.00 61.69 61.63 1snd s THR 13 Cb -0.02 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1snd s THR 13 CO 0.06 0.53 1.23 -0.22 -0.69 0.00 0.00 174.62 175.53 1snd s LEU 14 N -0.24 3.71 0.05 4.42 1.98 -1.26 -0.04 118.68 127.31 1snd s LEU 14 Ca 0.07 2.44 0.00 0.00 -2.89 0.00 0.00 54.13 53.75 1snd s LEU 14 Cb -0.12 -4.53 0.00 0.00 0.66 0.00 0.00 46.19 42.20 1snd s LEU 14 CO 0.02 -1.55 0.00 -0.38 -1.89 0.00 0.00 176.35 172.55 1snd n ILE 15 N -1.44 0.37 -3.64 6.68 5.41 -0.92 -4.72 119.36 121.10 1snd n ILE 15 Ca 0.13 0.12 -0.07 0.00 1.00 0.00 0.00 62.75 63.93 1snd n ILE 15 Cb 0.49 -1.32 -0.07 0.00 -0.71 0.00 0.00 39.64 38.03 1snd n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1snd s LYS 16 N -2.00 0.34 0.08 0.38 2.20 -0.99 -5.04 119.74 114.71 1snd s LYS 16 Ca 0.00 0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 55.78 1snd s LYS 16 Cb 0.00 0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 1snd s LYS 16 CO 0.00 -0.04 0.76 0.00 -0.36 0.00 0.00 175.35 175.71 1snd s ALA 17 N 0.17 3.40 -0.12 3.13 0.00 -1.26 -0.15 121.76 126.93 1snd s ALA 17 Ca 0.05 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1snd s ALA 17 Cb -0.05 -2.97 -0.11 0.00 0.00 0.00 0.00 23.12 19.99 1snd s ALA 17 CO -0.10 0.14 -0.04 -0.89 0.00 0.00 0.00 175.76 174.87 1snd n ILE 18 N 2.46 0.74 -3.56 0.00 5.41 0.04 -4.91 119.36 119.54 1snd n ILE 18 Ca -0.04 -0.36 -0.06 0.00 1.00 0.00 0.00 62.75 63.29 1snd n ILE 18 Cb 0.50 -0.85 0.02 0.00 -0.71 0.00 0.00 39.64 38.60 1snd n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1snd n ASP 19 N -2.65 -1.62 0.20 4.38 -0.08 -0.56 -4.94 116.55 111.28 1snd n ASP 19 Ca -0.20 -2.12 0.04 0.00 -1.51 0.00 0.00 54.79 51.00 1snd n ASP 19 Cb 0.79 2.69 0.40 0.00 2.34 0.00 0.00 41.12 47.35 1snd n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1snd h GLY 20 N 1.39 0.00 -1.50 0.27 0.00 -1.83 -3.14 103.07 98.26 1snd h GLY 20 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1snd h GLY 20 CO 0.30 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.93 1snd n ASP 21 N -4.08 2.60 -3.80 0.19 5.68 -1.26 -4.77 116.55 111.11 1snd n ASP 21 Ca -0.02 -1.77 -0.19 0.00 -0.50 0.00 0.00 54.79 52.31 1snd n ASP 21 Cb 0.37 -0.05 -0.17 0.00 -1.14 0.00 0.00 41.12 40.14 1snd n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1snd s THR 22 N -1.41 0.26 -0.05 2.12 2.01 -1.19 -1.42 115.64 115.95 1snd s THR 22 Ca 0.23 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.36 1snd s THR 22 Cb 0.15 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1snd s THR 22 CO 0.22 0.19 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.52 1snd s VAL 23 N 1.39 1.22 -0.22 3.82 1.01 -0.49 -0.78 120.40 126.34 1snd s VAL 23 Ca -0.04 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1snd s VAL 23 Cb -0.13 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1snd s VAL 23 CO -0.02 0.37 0.64 -0.75 0.00 0.00 0.00 175.10 175.33 1snd s LYS 24 N 0.34 4.18 0.23 2.72 2.20 0.78 -0.34 119.74 129.85 1snd s LYS 24 Ca -0.09 0.61 0.10 0.00 -0.36 0.00 0.00 55.97 56.22 1snd s LYS 24 Cb -0.13 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1snd s LYS 24 CO 0.03 -0.31 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.03 1snd s LEU 25 N 2.14 2.55 -0.61 5.43 1.43 0.20 -2.17 118.68 127.64 1snd s LEU 25 Ca 0.28 -1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 1snd s LEU 25 Cb -0.16 -0.87 0.15 0.00 0.03 0.00 0.00 46.19 45.34 1snd s LEU 25 CO 0.10 -0.06 0.58 -0.32 0.23 0.00 0.00 176.35 176.87 1snd s MET 26 N -3.44 3.14 -0.29 1.70 -2.45 0.94 0.52 119.30 119.42 1snd s MET 26 Ca 0.24 -1.88 -0.07 0.00 -1.25 0.00 0.00 55.69 52.73 1snd s MET 26 Cb -0.03 -4.33 -0.00 0.00 1.25 0.00 0.00 34.83 31.71 1snd s MET 26 CO 0.10 -1.33 0.09 -0.47 1.05 0.00 0.00 175.02 174.46 1snd s TYR 27 N 1.30 3.14 -1.38 4.11 5.04 0.15 -2.19 117.35 127.53 1snd s TYR 27 Ca 0.07 -0.79 -0.08 0.00 -2.44 0.00 0.00 57.07 53.83 1snd s TYR 27 Cb -0.25 -2.27 0.03 0.00 0.35 0.00 0.00 41.96 39.82 1snd s TYR 27 CO 0.00 -0.51 1.06 1.63 -1.34 0.00 0.00 175.55 176.39 1snd n LYS 28 N 4.90 -6.84 -0.45 4.97 5.02 -1.26 -1.89 118.16 122.62 1snd n LYS 28 Ca -0.15 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1snd n LYS 28 Cb 0.49 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 1snd n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snd n GLY 29 N -1.75 1.92 3.28 0.72 0.00 -1.26 -5.02 105.19 103.08 1snd n GLY 29 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1snd n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1snd s GLN 30 N -0.07 2.05 0.26 1.61 -1.52 -0.79 -5.10 119.66 116.10 1snd s GLN 30 Ca 0.00 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.23 1snd s GLN 30 Cb 0.00 -1.95 -0.11 0.00 -0.22 0.00 0.00 33.01 30.74 1snd s GLN 30 CO 0.00 0.51 1.52 -2.14 -0.25 0.00 0.00 175.29 174.93 1snd s PRO 31 N -0.52 4.20 -0.07 2.91 0.02 -1.26 -0.67 135.00 139.61 1snd s PRO 31 Ca 0.08 2.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.46 1snd s PRO 31 Cb -0.10 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1snd s PRO 31 CO -0.00 -0.53 0.18 -1.64 -0.33 0.00 0.00 177.00 174.68 1snd s MET 32 N -0.23 0.20 -0.19 5.54 -1.94 0.18 -4.87 119.30 117.99 1snd s MET 32 Ca 0.62 0.27 -0.07 0.00 -1.71 0.00 0.00 55.69 54.80 1snd s MET 32 Cb -0.44 0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.43 1snd s MET 32 CO 0.43 -0.04 0.05 0.99 -0.01 0.00 0.00 175.02 176.45 1snd s THR 33 N 0.21 4.63 -0.05 2.05 2.01 -1.26 0.60 115.64 123.83 1snd s THR 33 Ca -0.01 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 61.93 1snd s THR 33 Cb -0.02 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1snd s THR 33 CO -0.01 0.45 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.88 1snd s PHE 34 N 0.52 2.75 -0.17 4.92 0.40 0.54 -0.38 117.98 126.56 1snd s PHE 34 Ca 0.02 -0.12 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1snd s PHE 34 Cb -0.13 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.72 1snd s PHE 34 CO 0.01 0.21 0.07 0.50 0.70 0.00 0.00 175.22 176.71 1snd s ARG 35 N -0.75 3.82 0.06 0.44 6.06 0.91 -1.40 118.95 128.10 1snd s ARG 35 Ca 0.12 -0.32 -0.31 0.00 -2.50 0.00 0.00 55.73 52.72 1snd s ARG 35 Cb -0.11 -3.17 -0.07 0.00 0.06 0.00 0.00 34.95 31.66 1snd s ARG 35 CO 0.01 0.38 1.43 -0.51 -2.50 0.00 0.00 175.30 174.11 1snd s LEU 36 N 0.08 4.35 0.35 -0.88 1.43 -0.51 -1.59 118.68 121.90 1snd s LEU 36 Ca 0.06 2.26 -0.27 0.00 -1.03 0.00 0.00 54.13 55.15 1snd s LEU 36 Cb -0.12 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 1snd s LEU 36 CO 0.01 -0.71 1.09 -0.76 0.23 0.00 0.00 176.35 176.20 1snd s LEU 37 N 1.87 4.33 -2.12 1.79 1.43 -0.91 -4.11 118.68 120.96 1snd s LEU 37 Ca 0.66 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 1snd s LEU 37 Cb -0.35 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 41.96 1snd s LEU 37 CO 0.29 -0.37 0.00 0.18 0.23 0.00 0.00 176.35 176.68 1snd n LEU 38 N 0.50 -1.63 -3.92 1.79 4.77 -1.26 -4.89 117.00 112.36 1snd n LEU 38 Ca 0.02 0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 56.29 1snd n LEU 38 Cb 0.47 -2.89 -0.12 0.00 -2.33 0.00 0.00 43.42 38.55 1snd n LEU 38 CO 0.50 -0.89 -0.32 0.68 -1.33 0.00 0.00 177.39 176.03 1snd s VAL 39 N -2.84 0.06 -0.19 4.08 -7.23 -1.26 -1.84 120.40 111.18 1snd s VAL 39 Ca 0.00 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1snd s VAL 39 Cb 0.00 -0.20 0.03 0.00 0.56 0.00 0.00 36.38 36.78 1snd s VAL 39 CO 0.00 -0.28 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.55 1snd s ASP 40 N -0.85 3.37 -0.10 4.85 1.01 0.12 -4.80 116.67 120.27 1snd s ASP 40 Ca -0.09 -0.83 -0.05 0.00 0.71 0.00 0.00 52.55 52.29 1snd s ASP 40 Cb -0.06 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.47 1snd s ASP 40 CO -0.00 -0.09 0.09 0.42 0.21 0.00 0.00 175.17 175.80 1snd s THR 41 N 1.32 5.04 0.52 -1.27 -4.23 -1.26 -1.21 115.64 114.55 1snd s THR 41 Ca 0.01 0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.30 1snd s THR 41 Cb -0.15 -3.18 -0.06 0.00 1.34 0.00 0.00 72.50 70.46 1snd s THR 41 CO -0.10 0.60 1.38 -2.16 -0.54 0.00 0.00 174.62 173.81 1snd s PRO 42 N -1.02 3.28 0.10 3.99 0.04 -1.26 -4.90 135.00 135.23 1snd s PRO 42 Ca 0.15 2.30 0.10 0.00 0.04 0.00 0.00 61.00 63.59 1snd s PRO 42 Cb -0.12 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1snd s PRO 42 CO 0.04 -1.10 -0.26 -1.21 0.04 0.00 0.00 177.00 174.51 1snd s GLU 43 N -2.79 1.45 0.17 4.56 2.02 -1.26 -4.44 118.70 118.41 1snd s GLU 43 Ca 0.69 -1.24 0.16 0.00 0.02 0.00 0.00 54.97 54.60 1snd s GLU 43 Cb -0.42 -1.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1snd s GLU 43 CO 0.51 0.44 1.13 1.79 0.02 0.00 0.00 175.26 179.15 1snd h THR 44 N 4.02 0.65 -1.82 3.63 1.35 -1.77 0.23 112.91 119.19 1snd h THR 44 Ca -0.49 -2.05 -0.64 0.00 -0.55 0.00 0.00 66.41 62.69 1snd h THR 44 Cb 1.16 2.19 -0.38 0.00 -1.73 0.00 0.00 68.15 69.39 1snd h THR 44 CO 0.40 0.37 -0.27 0.29 -0.25 0.00 0.00 175.52 176.07 1snd n LYS 45 N -3.04 3.41 -2.78 4.72 5.02 -1.20 -3.37 118.16 120.92 1snd n LYS 45 Ca -0.03 -4.42 -0.42 0.00 -2.02 0.00 0.00 58.31 51.42 1snd n LYS 45 Cb 0.77 -2.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1snd n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1snd s HIS 46 N -3.68 3.63 0.25 2.13 2.46 0.05 -4.91 115.29 115.23 1snd s HIS 46 Ca 0.48 1.60 -0.04 0.00 0.47 0.00 0.00 55.06 57.58 1snd s HIS 46 Cb 0.37 -3.06 0.50 0.00 -0.13 0.00 0.00 32.58 30.26 1snd s HIS 46 CO -0.22 -0.01 1.69 -1.00 -2.47 0.00 0.00 174.74 172.74 1snd h PRO 47 N 6.82 0.30 0.00 2.88 0.13 -1.96 0.59 132.00 140.75 1snd h PRO 47 Ca -0.40 -0.02 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 1snd h PRO 47 Cb 1.21 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 1snd h PRO 47 CO 0.76 0.20 -2.24 1.63 -0.23 0.00 0.00 178.00 178.12 1snd n LYS 48 N -5.12 0.83 0.03 0.86 5.02 -1.26 -4.70 118.16 113.82 1snd n LYS 48 Ca 0.15 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 56.36 1snd n LYS 48 Cb 0.48 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.91 1snd n LYS 48 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1snd h LYS 49 N 0.00 0.18 0.00 1.97 1.57 -1.97 -3.50 116.57 114.83 1snd h LYS 49 Ca -0.49 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 1snd h LYS 49 Cb 1.91 0.12 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1snd h LYS 49 CO -0.03 0.99 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 1snd n GLY 50 N 1.69 1.48 3.58 3.86 0.00 0.19 -4.77 105.19 111.23 1snd n GLY 50 Ca -0.19 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 1snd n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1snd s VAL 51 N 0.00 5.25 0.42 1.61 1.01 -1.22 -0.77 120.40 126.70 1snd s VAL 51 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 1snd s VAL 51 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1snd s VAL 51 CO 0.00 0.14 0.65 -1.61 0.00 0.00 0.00 175.10 174.28 1snd s GLU 52 N 1.88 3.32 0.19 2.72 2.02 0.79 -4.98 118.70 124.64 1snd s GLU 52 Ca 0.10 -0.28 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 1snd s GLU 52 Cb -0.16 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.42 1snd s GLU 52 CO 0.11 -0.10 1.41 0.21 0.02 0.00 0.00 175.26 176.90 1snd s LYS 53 N -4.51 4.31 0.00 1.61 2.20 -1.26 -1.21 119.74 120.89 1snd s LYS 53 Ca 0.45 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1snd s LYS 53 Cb -0.10 -3.17 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1snd s LYS 53 CO 0.39 -0.40 0.00 0.66 -0.36 0.00 0.00 175.35 175.64 1snd n TYR 54 N 3.00 0.00 -0.04 4.03 4.01 -1.26 -4.84 117.16 122.06 1snd n TYR 54 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1snd n TYR 54 Cb 0.41 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 1snd n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1snd h GLY 55 N 0.00 0.27 1.33 2.72 0.00 -1.37 -0.62 103.07 105.39 1snd h GLY 55 Ca 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1snd h GLY 55 CO 0.00 0.19 0.23 -2.55 0.00 0.00 0.00 176.54 174.42 1snd h PRO 56 N -0.04 0.86 0.01 4.80 0.11 -1.88 -1.33 132.00 134.53 1snd h PRO 56 Ca 0.04 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1snd h PRO 56 Cb 0.42 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.37 1snd h PRO 56 CO 0.01 0.71 -0.01 0.93 -0.21 0.00 0.00 178.00 179.43 1snd h GLU 57 N 0.85 -0.01 -0.71 1.05 3.07 -1.86 0.14 114.58 117.10 1snd h GLU 57 Ca 0.20 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.00 1snd h GLU 57 Cb 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1snd h GLU 57 CO -0.02 0.04 0.21 0.00 -1.40 0.00 0.00 179.01 177.84 1snd h ALA 58 N 0.92 1.02 -0.19 3.43 0.00 -0.82 0.15 119.26 123.77 1snd h ALA 58 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1snd h ALA 58 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1snd h ALA 58 CO 0.00 0.65 0.09 1.03 0.00 0.00 0.00 179.25 181.03 1snd h SER 59 N 1.06 0.24 -0.91 0.00 0.87 -0.98 -0.31 113.55 113.53 1snd h SER 59 Ca 0.23 -0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1snd h SER 59 Cb 0.32 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1snd h SER 59 CO -0.00 0.29 0.57 0.00 -0.53 0.00 0.00 176.83 177.15 1snd h ALA 60 N 0.97 1.29 0.22 6.23 0.00 -0.49 -1.68 119.26 125.80 1snd h ALA 60 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1snd h ALA 60 Cb 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1snd h ALA 60 CO -0.01 0.63 -0.11 0.35 0.00 0.00 0.00 179.25 180.11 1snd h PHE 61 N 1.25 -0.28 -0.09 0.00 3.04 -0.41 -0.67 116.94 119.78 1snd h PHE 61 Ca 0.33 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.29 1snd h PHE 61 Cb -0.08 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1snd h PHE 61 CO 0.00 -0.10 -0.05 1.15 -2.02 0.00 0.00 178.31 177.30 1snd h THR 62 N -0.41 0.84 -0.09 4.41 2.02 -0.90 -0.13 112.91 118.66 1snd h THR 62 Ca -0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.19 1snd h THR 62 Cb 0.31 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 1snd h THR 62 CO 0.05 0.00 -0.29 0.50 0.37 0.00 0.00 175.52 176.15 1snd h LYS 63 N -0.04 -0.37 -0.40 6.66 3.64 -1.25 0.39 116.57 125.20 1snd h LYS 63 Ca 0.05 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1snd h LYS 63 Cb 0.12 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1snd h LYS 63 CO -0.12 -0.25 0.19 -0.22 -2.27 0.00 0.00 179.45 176.79 1snd h LYS 64 N -0.38 0.57 -0.98 1.90 3.64 -1.01 0.14 116.57 120.46 1snd h LYS 64 Ca 0.09 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1snd h LYS 64 Cb 0.51 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 1snd h LYS 64 CO -0.31 0.50 0.62 1.98 -2.27 0.00 0.00 179.45 179.98 1snd h MET 65 N 0.50 1.31 0.12 1.90 4.05 -0.47 -2.42 114.93 119.92 1snd h MET 65 Ca 0.14 -0.10 -0.29 0.00 -0.28 0.00 0.00 59.70 59.17 1snd h MET 65 Cb 0.12 -0.29 -0.00 0.00 -0.80 0.00 0.00 31.60 30.63 1snd h MET 65 CO -0.02 0.89 -1.41 -0.24 0.23 0.00 0.00 176.91 176.36 1snd h VAL 66 N 1.34 1.30 0.00 -5.77 3.04 -0.04 -3.27 116.25 112.84 1snd h VAL 66 Ca 0.36 -2.91 -0.04 0.00 -1.01 0.00 0.00 66.70 63.10 1snd h VAL 66 Cb -0.11 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1snd h VAL 66 CO -0.07 0.84 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.80 1snd h GLU 67 N 0.07 0.00 -0.53 4.17 5.08 -0.65 -3.07 114.58 119.65 1snd h GLU 67 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1snd h GLU 67 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 1snd h GLU 67 CO 0.18 0.20 0.00 0.09 -1.00 0.00 0.00 179.01 178.48 1snd n ASN 68 N -3.22 3.57 -4.83 1.42 3.02 -0.92 -4.95 115.26 109.34 1snd n ASN 68 Ca 0.02 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.24 1snd n ASN 68 Cb 0.52 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1snd n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1snd s ALA 69 N -1.31 3.32 -0.08 5.41 0.00 -1.16 -4.97 121.76 122.97 1snd s ALA 69 Ca 0.43 0.13 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 1snd s ALA 69 Cb 0.24 -2.83 -0.26 0.00 0.00 0.00 0.00 23.12 20.27 1snd s ALA 69 CO 0.32 0.31 0.54 0.87 0.00 0.00 0.00 175.76 177.80 1snd h LYS 70 N 2.64 0.18 -4.22 0.00 1.57 -1.92 -3.46 116.57 111.36 1snd h LYS 70 Ca -0.48 -0.31 -0.52 0.00 -1.87 0.00 0.00 60.65 57.47 1snd h LYS 70 Cb 1.18 0.12 -0.37 0.00 0.08 0.00 0.00 32.23 33.24 1snd h LYS 70 CO 0.65 0.97 -0.80 0.15 -0.57 0.00 0.00 179.45 179.85 1snd s LYS 71 N -2.58 1.48 0.04 3.15 1.02 -1.26 -5.04 119.74 116.55 1snd s LYS 71 Ca -0.15 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1snd s LYS 71 Cb 0.07 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1snd s LYS 71 CO 0.80 -0.25 0.02 0.42 -0.92 0.00 0.00 175.35 175.42 1snd s ILE 72 N 1.65 4.21 0.01 2.17 1.01 -1.25 -1.54 121.20 127.44 1snd s ILE 72 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 1snd s ILE 72 Cb -0.13 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1snd s ILE 72 CO -0.07 0.26 0.13 -1.61 0.00 0.00 0.00 174.94 173.64 1snd s GLU 73 N -1.93 0.48 0.01 2.79 2.02 -0.53 -2.55 118.70 118.99 1snd s GLU 73 Ca 0.23 -0.44 0.09 0.00 0.02 0.00 0.00 54.97 54.87 1snd s GLU 73 Cb -0.12 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.29 1snd s GLU 73 CO 0.15 -0.11 -0.26 0.14 0.02 0.00 0.00 175.26 175.19 1snd s VAL 74 N -1.47 2.11 -0.06 2.63 -7.23 0.23 -0.07 120.40 116.53 1snd s VAL 74 Ca -0.14 -1.23 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1snd s VAL 74 Cb -0.07 -1.77 0.01 0.00 0.56 0.00 0.00 36.38 35.11 1snd s VAL 74 CO 0.01 0.48 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.44 1snd s GLU 75 N -0.89 1.82 0.06 4.82 2.12 0.26 -1.65 118.70 125.23 1snd s GLU 75 Ca 0.11 -0.49 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1snd s GLU 75 Cb -0.10 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.75 1snd s GLU 75 CO 0.00 0.08 0.07 -0.06 -0.54 0.00 0.00 175.26 174.82 1snd s PHE 76 N 0.51 3.20 0.24 5.30 0.08 -1.25 -0.50 117.98 125.56 1snd s PHE 76 Ca -0.13 0.10 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 1snd s PHE 76 Cb -0.15 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.56 1snd s PHE 76 CO 0.04 0.52 1.19 0.34 -0.10 0.00 0.00 175.22 177.21 1snd s ASP 77 N -2.19 7.09 0.52 1.36 -1.08 -1.26 -3.77 116.67 117.34 1snd s ASP 77 Ca 0.27 2.32 0.34 0.00 -0.52 0.00 0.00 52.55 54.96 1snd s ASP 77 Cb -0.12 -2.62 1.46 0.00 -1.46 0.00 0.00 42.92 40.18 1snd s ASP 77 CO 0.19 -0.32 2.00 0.07 0.52 0.00 0.00 175.17 177.63 1snd h LYS 78 N 4.49 0.00 0.00 4.34 2.10 -2.00 -3.40 116.57 122.11 1snd h LYS 78 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1snd h LYS 78 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1snd h LYS 78 CO 0.71 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.57 1snd n GLY 79 N -0.16 0.13 3.71 0.07 0.00 -1.26 -4.95 105.19 102.73 1snd n GLY 79 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1snd n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1snd s GLN 80 N 0.52 4.14 0.00 1.61 -2.07 -1.26 -4.87 119.66 117.73 1snd s GLN 80 Ca 0.00 2.56 0.00 0.00 -1.82 0.00 0.00 55.36 56.10 1snd s GLN 80 Cb 0.00 -3.19 0.00 0.00 -1.09 0.00 0.00 33.01 28.73 1snd s GLN 80 CO 0.00 -0.75 0.00 -2.13 -1.32 0.00 0.00 175.29 171.09 1snd n ARG 81 N 4.32 2.91 -3.84 9.60 0.63 -1.26 -4.25 116.66 124.77 1snd n ARG 81 Ca 0.16 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 57.00 1snd n ARG 81 Cb 0.36 -0.72 -0.07 0.00 0.45 0.00 0.00 32.46 32.48 1snd n ARG 81 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1snd s THR 82 N -1.03 0.13 0.50 5.15 2.01 -1.26 -1.39 115.64 119.74 1snd s THR 82 Ca 0.00 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1snd s THR 82 Cb 0.00 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1snd s THR 82 CO 0.00 -0.59 0.13 1.51 -0.69 0.00 0.00 174.62 174.98 1snd s ASP 83 N -2.64 4.28 0.25 3.53 1.47 -0.58 -4.94 116.67 118.04 1snd s ASP 83 Ca 0.02 -1.46 0.20 0.00 1.18 0.00 0.00 52.55 52.49 1snd s ASP 83 Cb 0.03 0.31 0.97 0.00 -0.34 0.00 0.00 42.92 43.89 1snd s ASP 83 CO -0.09 -0.85 1.60 2.29 0.68 0.00 0.00 175.17 178.79 1snd n LYS 84 N -1.37 0.13 0.00 2.11 2.85 -1.26 -1.11 118.16 119.51 1snd n LYS 84 Ca -0.11 0.54 0.13 0.00 -1.05 0.00 0.00 58.31 57.82 1snd n LYS 84 Cb 0.66 -1.86 0.34 0.00 -0.65 0.00 0.00 35.03 33.52 1snd n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1snd n TYR 85 N -2.14 0.00 -0.20 5.58 4.01 -1.26 -4.93 117.16 118.22 1snd n TYR 85 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1snd n TYR 85 Cb 0.09 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1snd n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1snd n GLY 86 N 1.27 0.87 3.75 2.72 0.00 -0.27 -5.04 105.19 108.50 1snd n GLY 86 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1snd n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1snd s ARG 87 N -0.64 4.50 0.61 1.61 0.52 -1.26 -4.79 118.95 119.50 1snd s ARG 87 Ca 0.00 1.94 -0.13 0.00 -0.52 0.00 0.00 55.73 57.01 1snd s ARG 87 Cb 0.00 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 1snd s ARG 87 CO 0.00 -0.03 1.03 0.20 0.02 0.00 0.00 175.30 176.52 1snd s GLY 88 N -0.29 1.88 -0.17 -3.53 0.00 0.49 -1.53 107.32 104.16 1snd s GLY 88 Ca 0.50 0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1snd s GLY 88 CO 0.41 0.44 -0.12 1.08 0.00 0.00 0.00 173.10 174.91 1snd s LEU 89 N -4.83 2.62 0.15 0.66 1.43 -0.49 -0.06 118.68 118.16 1snd s LEU 89 Ca 0.59 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 1snd s LEU 89 Cb -0.13 -1.62 0.07 0.00 0.03 0.00 0.00 46.19 44.54 1snd s LEU 89 CO 0.44 0.06 0.60 0.00 0.23 0.00 0.00 176.35 177.68 1snd s ALA 90 N 0.96 -1.58 -0.43 4.21 0.00 -0.62 -4.53 121.76 119.76 1snd s ALA 90 Ca -0.02 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1snd s ALA 90 Cb -0.15 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.84 1snd s ALA 90 CO -0.01 -0.75 0.75 0.71 0.00 0.00 0.00 175.76 176.46 1snd s TYR 91 N -3.64 3.03 -0.12 0.00 2.02 0.35 -2.14 117.35 116.84 1snd s TYR 91 Ca 0.01 0.18 -0.10 0.00 -0.37 0.00 0.00 57.07 56.79 1snd s TYR 91 Cb -0.01 -3.55 -0.05 0.00 -0.40 0.00 0.00 41.96 37.96 1snd s TYR 91 CO -0.12 -0.92 0.20 0.42 -1.57 0.00 0.00 175.55 173.56 1snd s ILE 92 N 3.15 5.39 -0.04 2.71 1.01 -1.26 -0.58 121.20 131.58 1snd s ILE 92 Ca 0.28 0.35 0.05 0.00 0.00 0.00 0.00 60.65 61.33 1snd s ILE 92 Cb -0.13 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 1snd s ILE 92 CO 0.21 0.55 -0.17 -0.31 0.00 0.00 0.00 174.94 175.22 1snd s TYR 93 N -0.61 2.62 -0.35 3.97 1.51 0.89 -0.23 117.35 125.16 1snd s TYR 93 Ca 0.15 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1snd s TYR 93 Cb -0.13 -1.59 0.10 0.00 -0.11 0.00 0.00 41.96 40.23 1snd s TYR 93 CO 0.04 0.15 0.08 0.00 -1.11 0.00 0.00 175.55 174.71 1snd s ALA 94 N -0.72 2.54 -1.22 3.71 0.00 0.98 -1.46 121.76 125.59 1snd s ALA 94 Ca 0.11 -2.36 -0.01 0.00 0.00 0.00 0.00 51.96 49.71 1snd s ALA 94 Cb -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1snd s ALA 94 CO 0.00 -1.72 1.01 -0.25 0.00 0.00 0.00 175.76 174.80 1snd n ASP 95 N 4.31 -2.41 0.00 0.00 8.00 -0.59 -1.95 116.55 123.90 1snd n ASP 95 Ca 0.03 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1snd n ASP 95 Cb 0.41 -5.08 0.00 0.00 -0.02 0.00 0.00 41.12 36.43 1snd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snd n GLY 96 N -1.23 2.88 3.69 0.44 0.00 -1.26 -5.01 105.19 104.71 1snd n GLY 96 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 1snd n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snd s LYS 97 N -0.12 4.19 -0.09 1.61 1.02 -0.82 -5.02 119.74 120.50 1snd s LYS 97 Ca 0.00 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 1snd s LYS 97 Cb 0.00 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1snd s LYS 97 CO 0.00 0.08 1.34 1.41 -0.92 0.00 0.00 175.35 177.27 1snd s MET 98 N 0.95 4.26 0.29 1.68 1.75 -1.26 -0.02 119.30 126.95 1snd s MET 98 Ca 0.16 1.81 -0.02 0.00 -1.25 0.00 0.00 55.69 56.39 1snd s MET 98 Cb -0.14 -3.72 0.42 0.00 2.84 0.00 0.00 34.83 34.22 1snd s MET 98 CO 0.06 -0.66 1.90 0.28 -0.65 0.00 0.00 175.02 175.95 1snd h VAL 99 N 5.30 1.22 -0.04 10.11 2.07 -0.97 0.24 116.25 134.18 1snd h VAL 99 Ca -0.32 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 66.66 1snd h VAL 99 Cb 1.14 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1snd h VAL 99 CO 0.94 0.25 -0.19 0.78 0.02 0.00 0.00 177.57 179.37 1snd h ASN 100 N 0.99 -0.56 0.00 0.57 4.21 -1.91 -1.00 115.58 117.88 1snd h ASN 100 Ca 0.25 0.09 -0.14 0.00 1.21 0.00 0.00 56.30 57.70 1snd h ASN 100 Cb 0.06 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.49 1snd h ASN 100 CO -0.04 -0.25 -0.45 -0.08 -1.29 0.00 0.00 177.43 175.32 1snd h GLU 101 N -0.29 0.54 -0.23 0.81 4.22 -1.84 -2.68 114.58 115.11 1snd h GLU 101 Ca 0.07 -0.29 0.01 0.00 0.08 0.00 0.00 59.36 59.23 1snd h GLU 101 Cb 0.38 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1snd h GLU 101 CO -0.20 0.88 0.12 0.00 -2.18 0.00 0.00 179.01 177.63 1snd h ALA 102 N 1.07 0.28 -0.21 2.92 0.00 -0.52 -0.67 119.26 122.13 1snd h ALA 102 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1snd h ALA 102 Cb 0.96 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1snd h ALA 102 CO 0.09 -0.29 0.14 -0.07 0.00 0.00 0.00 179.25 179.12 1snd h LEU 103 N 0.25 0.24 -0.62 0.00 3.38 -1.13 -2.79 115.31 114.64 1snd h LEU 103 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1snd h LEU 103 Cb 0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1snd h LEU 103 CO -0.06 0.17 0.40 0.58 0.09 0.00 0.00 178.44 179.62 1snd h VAL 104 N 0.28 1.13 -0.51 1.22 2.07 -1.20 0.87 116.25 120.11 1snd h VAL 104 Ca 0.08 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1snd h VAL 104 Cb -0.03 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1snd h VAL 104 CO -0.02 0.15 0.34 -0.09 0.02 0.00 0.00 177.57 177.97 1snd h ARG 105 N 0.81 0.67 -0.15 1.57 9.65 -0.94 -1.61 114.38 124.38 1snd h ARG 105 Ca 0.23 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.07 1snd h ARG 105 Cb -0.06 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.37 1snd h ARG 105 CO -0.07 0.45 0.00 1.04 2.80 0.00 0.00 179.97 184.19 1snd n GLN 106 N -4.46 1.53 -2.12 0.20 1.13 -1.07 -4.88 117.38 107.71 1snd n GLN 106 Ca 0.05 -0.80 -0.13 0.00 -1.94 0.00 0.00 57.00 54.17 1snd n GLN 106 Cb 0.05 -1.32 -0.01 0.00 0.11 0.00 0.00 30.24 29.07 1snd n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1snd n GLY 107 N 0.99 0.05 0.79 1.08 0.00 -0.61 -4.88 105.19 102.62 1snd n GLY 107 Ca 0.14 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.88 1snd n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snd n LEU 108 N -1.81 2.87 -3.56 0.99 4.77 0.28 -4.97 117.00 115.57 1snd n LEU 108 Ca -0.15 -1.54 -0.15 0.00 -0.03 0.00 0.00 56.01 54.15 1snd n LEU 108 Cb 0.59 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1snd n LEU 108 CO 0.18 0.64 0.57 0.00 -1.33 0.00 0.00 177.39 177.45 1snd s ALA 109 N -1.16 -1.84 0.14 -1.18 0.00 -1.07 -4.28 121.76 112.38 1snd s ALA 109 Ca 0.27 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.78 1snd s ALA 109 Cb 0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1snd s ALA 109 CO 0.21 -0.34 0.05 0.15 0.00 0.00 0.00 175.76 175.84 1snd s LYS 110 N -0.94 2.64 -0.00 0.00 1.02 -0.35 -4.25 119.74 117.86 1snd s LYS 110 Ca -0.06 -0.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1snd s LYS 110 Cb -0.01 -2.53 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1snd s LYS 110 CO 0.06 0.49 1.08 0.08 -0.92 0.00 0.00 175.35 176.14 1snd s VAL 111 N -1.61 4.51 0.61 3.17 1.01 -1.26 0.11 120.40 126.94 1snd s VAL 111 Ca 0.28 1.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1snd s VAL 111 Cb -0.10 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1snd s VAL 111 CO 0.20 0.10 1.19 0.00 0.00 0.00 0.00 175.10 176.60 1snd n ALA 112 N 4.26 0.91 -1.86 5.51 0.00 -0.76 -4.85 120.51 123.72 1snd n ALA 112 Ca 0.08 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1snd n ALA 112 Cb 0.49 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1snd n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1snd s TYR 113 N -1.40 3.28 0.17 0.00 6.14 -1.26 -4.98 117.35 119.30 1snd s TYR 113 Ca 0.78 1.43 -0.18 0.00 0.64 0.00 0.00 57.07 59.75 1snd s TYR 113 Cb -0.40 -3.53 0.03 0.00 0.42 0.00 0.00 41.96 38.48 1snd s TYR 113 CO 0.45 -1.47 0.49 0.99 0.64 0.00 0.00 175.55 176.65 1snd s THR 120 N -0.69 0.04 -0.35 4.34 2.01 -1.26 -5.04 115.64 114.69 1snd s THR 120 Ca 0.50 -0.63 0.15 0.00 0.31 0.00 0.00 61.69 62.03 1snd s THR 120 Cb -0.36 -1.38 0.72 0.00 0.01 0.00 0.00 72.50 71.49 1snd s THR 120 CO 0.44 -0.17 1.64 1.41 -0.69 0.00 0.00 174.62 177.25 1snd n HIS 121 N -0.31 1.67 -0.17 4.92 8.25 -1.26 -4.60 115.22 123.72 1snd n HIS 121 Ca -0.13 -0.75 -0.08 0.00 -0.26 0.00 0.00 57.72 56.50 1snd n HIS 121 Cb 0.63 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 31.33 1snd n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1snd h GLU 122 N 3.37 0.74 -0.35 -0.41 4.81 -1.98 -0.70 114.58 120.06 1snd h GLU 122 Ca 0.00 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1snd h GLU 122 Cb 1.75 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.99 1snd h GLU 122 CO 0.38 0.65 0.20 1.96 -0.73 0.00 0.00 179.01 181.48 1snd h GLN 123 N 0.66 0.40 -0.20 1.92 4.20 -2.00 0.23 115.11 120.32 1snd h GLN 123 Ca 0.17 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1snd h GLN 123 Cb 0.19 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1snd h GLN 123 CO -0.01 0.27 0.12 1.25 -0.67 0.00 0.00 178.83 179.78 1snd h HIS 124 N 0.42 0.22 -0.61 2.96 2.76 -1.85 -2.36 115.15 116.69 1snd h HIS 124 Ca 0.14 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1snd h HIS 124 Cb 0.00 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 1snd h HIS 124 CO -0.08 0.13 0.37 -0.07 -1.30 0.00 0.00 177.93 176.98 1snd h LEU 125 N 0.24 0.72 -0.70 0.26 4.07 -0.72 -2.56 115.31 116.62 1snd h LEU 125 Ca 0.08 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.86 1snd h LEU 125 Cb -0.01 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1snd h LEU 125 CO -0.03 0.56 -0.61 0.03 -1.08 0.00 0.00 178.44 177.31 1snd h ARG 126 N 0.83 0.16 -0.06 1.13 3.08 -0.63 -0.76 114.38 118.13 1snd h ARG 126 Ca 0.22 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1snd h ARG 126 Cb -0.03 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1snd h ARG 126 CO -0.04 0.71 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.33 1snd h LYS 127 N 0.12 -0.02 -0.40 0.04 3.64 -1.03 0.18 116.57 119.09 1snd h LYS 127 Ca -0.01 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1snd h LYS 127 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1snd h LYS 127 CO 0.09 -0.01 -0.27 0.77 -2.27 0.00 0.00 179.45 177.76 1snd h SER 128 N -0.02 0.87 -0.87 4.20 0.02 -1.36 -2.40 113.55 113.99 1snd h SER 128 Ca 0.03 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1snd h SER 128 Cb 0.07 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1snd h SER 128 CO -0.07 1.08 0.49 -0.08 -1.14 0.00 0.00 176.83 177.11 1snd h GLU 129 N 0.72 1.20 -0.72 3.45 4.81 -0.68 0.00 114.58 123.36 1snd h GLU 129 Ca 0.09 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 1snd h GLU 129 Cb 0.81 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1snd h GLU 129 CO 0.07 0.87 0.25 0.00 -0.73 0.00 0.00 179.01 179.46 1snd h ALA 130 N 1.32 0.94 -0.62 2.92 0.00 -0.46 0.71 119.26 124.07 1snd h ALA 130 Ca 0.31 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1snd h ALA 130 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1snd h ALA 130 CO -0.05 0.60 0.22 1.96 0.00 0.00 0.00 179.25 181.97 1snd h GLN 131 N 1.05 0.95 -0.32 0.00 1.08 -0.89 -1.25 115.11 115.73 1snd h GLN 131 Ca 0.23 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1snd h GLN 131 Cb 0.27 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1snd h GLN 131 CO -0.01 0.83 0.09 0.00 -0.95 0.00 0.00 178.83 178.79 1snd h ALA 132 N 1.08 0.42 -0.23 3.87 0.00 -0.56 -1.07 119.26 122.76 1snd h ALA 132 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1snd h ALA 132 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1snd h ALA 132 CO -0.01 0.06 0.05 0.87 0.00 0.00 0.00 179.25 180.22 1snd h LYS 133 N 0.36 0.14 -0.92 0.00 1.57 -0.73 -1.37 116.57 115.62 1snd h LYS 133 Ca 0.10 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1snd h LYS 133 Cb 0.26 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1snd h LYS 133 CO -0.00 0.09 0.60 -0.22 -0.57 0.00 0.00 179.45 179.35 1snd h LYS 134 N 0.14 1.09 -0.00 3.15 3.64 -1.02 -1.30 116.57 122.27 1snd h LYS 134 Ca 0.10 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1snd h LYS 134 Cb 0.10 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1snd h LYS 134 CO -0.13 0.72 -0.11 0.39 -2.27 0.00 0.00 179.45 178.04 1snd n GLU 135 N -4.46 0.56 -2.38 1.90 1.02 -0.42 -4.93 120.64 111.94 1snd n GLU 135 Ca 0.13 -0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1snd n GLU 135 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1snd n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1snd n LYS 136 N -1.07 -1.57 -2.51 3.49 5.02 -0.49 -4.98 118.16 116.05 1snd n LYS 136 Ca 0.13 0.60 -0.41 0.00 -2.02 0.00 0.00 58.31 56.61 1snd n LYS 136 Cb 0.28 -4.78 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 1snd n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1snd s LEU 137 N -3.81 4.47 0.00 -0.35 1.02 -1.09 -3.07 118.68 115.85 1snd s LEU 137 Ca 0.05 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.27 1snd s LEU 137 Cb -0.02 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.59 1snd s LEU 137 CO 0.06 -0.25 0.00 0.59 0.02 0.00 0.00 176.35 176.78 1snd n ASN 138 N 2.59 0.00 0.22 2.29 3.02 -1.26 0.08 115.26 122.21 1snd n ASN 138 Ca 0.03 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.74 1snd n ASN 138 Cb 0.46 0.00 0.77 0.00 -0.61 0.00 0.00 39.78 40.41 1snd n ASN 138 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 1snd h ILE 139 N 0.00 0.00 -0.47 2.41 3.07 -1.98 -1.22 117.51 119.32 1snd h ILE 139 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1snd h ILE 139 Cb 0.00 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 1snd h ILE 139 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1snd n TRP 140 N -2.60 1.64 0.73 0.16 7.02 0.11 -5.16 117.44 119.35 1snd n TRP 140 Ca -0.01 -0.77 0.06 0.00 -1.02 0.00 0.00 57.50 55.75 1snd n TRP 140 Cb 0.11 -0.43 0.35 0.00 -2.42 0.00 0.00 31.31 28.92 1snd n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10