#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sci s PHE 3 N 0.00 2.96 0.17 0.00 0.08 -1.26 -4.74 117.98 115.19 1sci s PHE 3 Ca 0.00 -0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.01 1sci s PHE 3 Cb 0.00 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1sci s PHE 3 CO 0.00 0.46 0.10 0.00 -0.10 0.00 0.00 175.22 175.68 1sci s ALA 4 N -1.25 1.06 -0.42 5.36 0.00 -1.26 -5.03 121.76 120.22 1sci s ALA 4 Ca 0.24 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1sci s ALA 4 Cb -0.12 1.18 0.08 0.00 0.00 0.00 0.00 23.12 24.27 1sci s ALA 4 CO 0.16 -0.55 0.26 -1.58 0.00 0.00 0.00 175.76 174.05 1sci s HIS 5 N -4.11 3.36 0.03 0.00 2.46 -1.26 -1.69 115.29 114.09 1sci s HIS 5 Ca 0.33 -1.64 -0.20 0.00 0.47 0.00 0.00 55.06 54.02 1sci s HIS 5 Cb 0.07 -3.02 -0.06 0.00 -0.13 0.00 0.00 32.58 29.44 1sci s HIS 5 CO 0.08 -0.87 0.58 -0.06 -2.47 0.00 0.00 174.74 172.00 1sci s PHE 6 N 1.39 3.74 -0.30 3.88 0.08 -0.04 -1.30 117.98 125.43 1sci s PHE 6 Ca 0.03 1.23 0.01 0.00 0.12 0.00 0.00 56.93 58.33 1sci s PHE 6 Cb -0.23 -2.56 0.07 0.00 -0.57 0.00 0.00 43.02 39.72 1sci s PHE 6 CO 0.01 0.46 -0.03 0.08 -0.10 0.00 0.00 175.22 175.64 1sci s VAL 7 N -0.60 2.49 -0.12 -0.44 1.01 -0.44 -0.51 120.40 121.79 1sci s VAL 7 Ca 0.30 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 1sci s VAL 7 Cb -0.19 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1sci s VAL 7 CO 0.18 -0.20 0.69 -0.76 0.00 0.00 0.00 175.10 175.01 1sci s LEU 8 N 1.11 4.25 -0.21 3.92 1.43 0.34 -1.19 118.68 128.32 1sci s LEU 8 Ca -0.03 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1sci s LEU 8 Cb -0.20 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.02 1sci s LEU 8 CO -0.04 -0.19 -0.16 -0.63 0.23 0.00 0.00 176.35 175.56 1sci s ILE 9 N 1.28 2.16 0.90 -0.59 1.01 0.16 -3.12 121.20 122.99 1sci s ILE 9 Ca 0.35 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 1sci s ILE 9 Cb -0.17 -2.06 0.13 0.00 0.01 0.00 0.00 42.46 40.37 1sci s ILE 9 CO 0.15 0.30 1.15 -1.38 0.00 0.00 0.00 174.94 175.16 1sci s HIS 10 N 1.22 2.54 0.55 3.97 -3.43 -1.26 -2.01 115.29 116.86 1sci s HIS 10 Ca -0.01 0.80 0.04 0.00 -0.80 0.00 0.00 55.06 55.09 1sci s HIS 10 Cb -0.16 -3.45 0.05 0.00 -1.43 0.00 0.00 32.58 27.59 1sci s HIS 10 CO -0.09 -2.27 0.76 -0.08 -2.00 0.00 0.00 174.74 171.06 1sci s THR 11 N -3.37 2.60 0.49 -5.38 -1.32 -1.25 -4.33 115.64 103.07 1sci s THR 11 Ca 0.64 -0.78 -0.24 0.00 -1.21 0.00 0.00 61.69 60.10 1sci s THR 11 Cb -0.13 -2.82 -0.07 0.00 -1.51 0.00 0.00 72.50 67.97 1sci s THR 11 CO 0.52 0.00 1.41 0.27 -2.21 0.00 0.00 174.62 174.61 1sci s ILE 12 N -2.71 2.03 0.00 5.08 -4.36 -1.26 -1.51 121.20 118.47 1sci s ILE 12 Ca 0.59 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.01 1sci s ILE 12 Cb -0.09 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1sci s ILE 12 CO 0.38 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.56 1sci n HIS 14 N -2.00 -1.94 -3.98 0.00 8.25 -0.57 -2.24 115.22 112.74 1sci n HIS 14 Ca 0.00 -1.23 -0.13 0.00 -0.26 0.00 0.00 57.72 56.10 1sci n HIS 14 Cb 0.00 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 30.81 1sci n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sci n GLY 15 N 1.16 1.71 0.39 -1.41 0.00 -1.26 -3.79 105.19 101.99 1sci n GLY 15 Ca 0.05 -1.50 0.20 0.00 0.00 0.00 0.00 46.02 44.77 1sci n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sci h ALA 16 N 2.04 2.47 -0.37 4.61 0.00 -1.88 -2.22 119.26 123.90 1sci h ALA 16 Ca -0.30 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.70 1sci h ALA 16 Cb 1.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1sci h ALA 16 CO 0.40 -0.64 0.47 0.11 0.00 0.00 0.00 179.25 179.58 1sci h TRP 17 N 0.07 0.00 0.00 0.00 5.08 -1.94 0.05 115.95 119.22 1sci h TRP 17 Ca 0.29 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.26 1sci h TRP 17 Cb 1.06 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1sci h TRP 17 CO -0.00 0.00 -0.03 0.97 -1.28 0.00 0.00 178.44 178.10 1sci h ILE 18 N 0.00 0.21 -0.54 0.12 6.09 -1.82 -1.54 117.51 120.03 1sci h ILE 18 Ca 0.18 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 1sci h ILE 18 Cb 1.12 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.58 1sci h ILE 18 CO -0.00 0.03 0.00 0.79 -3.07 0.00 0.00 178.15 175.90 1sci n TRP 19 N -3.33 1.13 0.29 2.19 7.02 0.00 -4.53 117.44 120.22 1sci n TRP 19 Ca -0.02 -0.47 0.19 0.00 -1.02 0.00 0.00 57.50 56.18 1sci n TRP 19 Cb 0.15 -0.17 1.02 0.00 -2.42 0.00 0.00 31.31 29.90 1sci n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 1sci h HIS 20 N 3.36 0.00 0.04 -5.99 2.07 -1.42 -1.49 115.15 111.73 1sci h HIS 20 Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 1sci h HIS 20 Cb 1.14 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.07 1sci h HIS 20 CO 0.58 0.00 -2.14 1.63 -3.07 0.00 0.00 177.93 174.94 1sci n LYS 21 N -2.83 0.66 -0.13 5.12 5.02 -1.26 -4.47 118.16 120.27 1sci n LYS 21 Ca -0.02 0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 1sci n LYS 21 Cb 0.07 -1.62 -0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1sci n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1sci h LEU 22 N -0.31 0.93 -0.17 -0.35 5.85 -1.65 -3.26 115.31 116.35 1sci h LEU 22 Ca -0.51 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 57.83 1sci h LEU 22 Cb 1.80 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.52 1sci h LEU 22 CO -0.11 1.16 -0.15 0.50 -0.34 0.00 0.00 178.44 179.50 1sci h LYS 23 N 0.71 -0.16 -0.12 1.25 3.64 -1.51 -0.91 116.57 119.46 1sci h LYS 23 Ca 0.08 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1sci h LYS 23 Cb 0.85 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1sci h LYS 23 CO 0.07 -0.11 -0.18 -1.00 -2.27 0.00 0.00 179.45 175.96 1sci h PRO 24 N -0.17 0.20 -0.45 1.90 0.13 -1.78 -2.08 132.00 129.74 1sci h PRO 24 Ca 0.11 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1sci h PRO 24 Cb 0.33 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1sci h PRO 24 CO -0.28 0.38 0.01 1.25 -0.23 0.00 0.00 178.00 179.14 1sci h LEU 25 N 0.19 0.78 -0.79 1.56 5.85 -1.43 -0.79 115.31 120.68 1sci h LEU 25 Ca 0.04 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1sci h LEU 25 Cb 0.44 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1sci h LEU 25 CO 0.03 0.89 0.24 -0.07 -0.34 0.00 0.00 178.44 179.19 1sci h LEU 26 N 0.64 1.07 -1.17 2.25 3.38 -0.93 -2.21 115.31 118.35 1sci h LEU 26 Ca 0.13 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1sci h LEU 26 Cb 0.48 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1sci h LEU 26 CO 0.02 0.99 -0.26 -0.33 0.09 0.00 0.00 178.44 178.95 1sci h GLU 27 N 1.10 0.25 0.00 1.13 5.08 -1.15 -0.98 114.58 120.01 1sci h GLU 27 Ca 0.24 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sci h GLU 27 Cb 0.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1sci h GLU 27 CO -0.01 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1sci n ALA 28 N -2.48 1.53 1.09 3.43 0.00 -0.32 -0.47 120.51 123.29 1sci n ALA 28 Ca -0.01 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1sci n ALA 28 Cb 0.37 -1.26 0.17 0.00 0.00 0.00 0.00 19.45 18.73 1sci n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sci n LEU 29 N -1.79 2.63 0.00 0.00 4.77 -0.40 -4.95 117.00 117.26 1sci n LEU 29 Ca 0.02 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 1sci n LEU 29 Cb 0.16 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1sci n LEU 29 CO 0.13 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1sci n GLY 30 N 1.32 0.62 3.88 -0.72 0.00 0.38 -4.96 105.19 105.71 1sci n GLY 30 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1sci n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sci s HIS 31 N -2.26 3.56 -0.16 1.61 3.76 -1.02 -4.80 115.29 115.98 1sci s HIS 31 Ca 0.00 1.17 -0.10 0.00 -0.15 0.00 0.00 55.06 55.98 1sci s HIS 31 Cb 0.00 -2.72 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 1sci s HIS 31 CO 0.00 -0.72 0.17 0.21 -0.85 0.00 0.00 174.74 173.55 1sci s LYS 32 N -5.15 3.97 -0.04 1.40 2.47 -0.68 -4.25 119.74 117.46 1sci s LYS 32 Ca 0.54 -0.11 0.02 0.00 -1.56 0.00 0.00 55.97 54.86 1sci s LYS 32 Cb -0.11 -3.34 0.01 0.00 -1.46 0.00 0.00 37.83 32.93 1sci s LYS 32 CO 0.52 0.45 -0.09 0.08 0.16 0.00 0.00 175.35 176.47 1sci s VAL 33 N -0.10 0.83 -0.13 4.02 1.01 -1.26 -0.87 120.40 123.90 1sci s VAL 33 Ca 0.12 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1sci s VAL 33 Cb -0.12 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1sci s VAL 33 CO 0.01 0.28 -0.21 -0.89 0.00 0.00 0.00 175.10 174.29 1sci s THR 34 N 0.54 2.00 -0.30 3.92 2.01 0.33 -4.98 115.64 119.16 1sci s THR 34 Ca -0.09 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1sci s THR 34 Cb -0.13 -1.77 0.08 0.00 0.01 0.00 0.00 72.50 70.70 1sci s THR 34 CO 0.01 0.54 -0.03 0.00 -0.69 0.00 0.00 174.62 174.45 1sci s ALA 35 N 0.80 2.73 0.31 7.40 0.00 -1.26 -0.50 121.76 131.23 1sci s ALA 35 Ca -0.08 -2.12 -0.07 0.00 0.00 0.00 0.00 51.96 49.69 1sci s ALA 35 Cb -0.16 -1.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.13 1sci s ALA 35 CO -0.01 -1.42 0.61 -0.51 0.00 0.00 0.00 175.76 174.42 1sci s LEU 36 N 1.02 4.02 -0.24 0.00 1.43 -1.18 -4.83 118.68 118.90 1sci s LEU 36 Ca 0.00 0.86 -0.09 0.00 -1.03 0.00 0.00 54.13 53.87 1sci s LEU 36 Cb -0.20 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1sci s LEU 36 CO -0.06 -0.22 0.11 -1.81 0.23 0.00 0.00 176.35 174.60 1sci s ASP 37 N -3.01 5.68 0.95 2.29 1.01 -1.26 -3.77 116.67 118.56 1sci s ASP 37 Ca 0.46 -0.01 -0.15 0.00 0.71 0.00 0.00 52.55 53.56 1sci s ASP 37 Cb -0.11 -2.02 0.18 0.00 1.01 0.00 0.00 42.92 41.98 1sci s ASP 37 CO 0.29 0.04 1.26 -0.76 0.21 0.00 0.00 175.17 176.21 1sci s LEU 38 N 1.19 2.46 0.26 1.23 1.43 -1.26 -4.77 118.68 119.21 1sci s LEU 38 Ca 0.06 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 1sci s LEU 38 Cb -0.14 -2.57 -0.13 0.00 0.03 0.00 0.00 46.19 43.37 1sci s LEU 38 CO 0.05 -2.67 1.30 0.00 0.23 0.00 0.00 176.35 175.26 1sci n ALA 39 N -3.76 0.78 -2.24 4.21 0.00 -0.87 -1.77 120.51 116.86 1sci n ALA 39 Ca 0.13 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.82 1sci n ALA 39 Cb 0.60 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.82 1sci n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sci n ALA 40 N 1.30 -0.63 -2.48 0.00 0.00 -1.25 -4.96 120.51 112.49 1sci n ALA 40 Ca 0.10 0.15 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1sci n ALA 40 Cb 0.32 -1.75 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 1sci n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1sci s SER 41 N -2.09 2.37 1.67 0.00 0.01 -0.73 -4.69 113.70 110.24 1sci s SER 41 Ca 0.00 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1sci s SER 41 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1sci s SER 41 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1sci n GLY 42 N 0.45 3.70 1.74 3.44 0.00 -1.25 -0.77 105.19 112.51 1sci n GLY 42 Ca -0.15 0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1sci n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sci n VAL 43 N 0.00 2.58 -1.96 1.61 0.24 -1.26 -4.96 118.33 114.58 1sci n VAL 43 Ca 0.00 -1.43 -0.41 0.00 -2.04 0.00 0.00 64.34 60.46 1sci n VAL 43 Cb 0.00 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.14 1sci n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sci s ASP 44 N -0.93 6.57 0.35 -1.34 2.15 0.05 -4.90 116.67 118.62 1sci s ASP 44 Ca 0.53 2.81 0.27 0.00 0.43 0.00 0.00 52.55 56.58 1sci s ASP 44 Cb 0.40 -2.64 1.13 0.00 -0.30 0.00 0.00 42.92 41.50 1sci s ASP 44 CO 0.17 -0.73 1.79 1.55 -0.17 0.00 0.00 175.17 177.78 1sci h PRO 45 N 4.08 0.00 -7.20 4.34 0.13 -1.93 -3.41 132.00 128.01 1sci h PRO 45 Ca -0.48 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 1sci h PRO 45 Cb 1.23 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.38 1sci h PRO 45 CO 0.71 0.00 0.38 1.03 -0.23 0.00 0.00 178.00 179.89 1sci s ARG 46 N -3.44 3.90 0.13 0.86 0.52 -1.26 -5.01 118.95 114.64 1sci s ARG 46 Ca 0.03 0.96 0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1sci s ARG 46 Cb 0.09 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1sci s ARG 46 CO 0.42 -0.31 0.12 -0.65 0.02 0.00 0.00 175.30 174.89 1sci s GLN 47 N -4.13 2.91 0.43 3.54 -1.52 -1.26 -3.94 119.66 115.69 1sci s GLN 47 Ca 0.59 -0.79 0.15 0.00 -1.95 0.00 0.00 55.36 53.36 1sci s GLN 47 Cb -0.10 -2.69 1.06 0.00 -0.22 0.00 0.00 33.01 31.06 1sci s GLN 47 CO 0.33 0.52 1.95 0.97 -0.25 0.00 0.00 175.29 178.80 1sci h ILE 48 N 2.25 0.84 0.00 1.08 6.09 -1.85 -1.38 117.51 124.53 1sci h ILE 48 Ca -0.47 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.88 1sci h ILE 48 Cb 1.18 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.88 1sci h ILE 48 CO 0.64 0.07 0.00 -0.62 -3.07 0.00 0.00 178.15 175.18 1sci n GLU 49 N -4.47 0.14 0.07 2.19 4.71 -1.26 -1.05 120.64 120.98 1sci n GLU 49 Ca 0.12 0.60 0.12 0.00 -0.01 0.00 0.00 57.16 57.99 1sci n GLU 49 Cb 0.47 -1.93 0.22 0.00 -1.01 0.00 0.00 31.44 29.19 1sci n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1sci n GLU 50 N -2.23 0.29 -3.53 3.49 1.02 -0.52 -4.84 120.64 114.32 1sci n GLU 50 Ca -0.01 0.12 -0.37 0.00 -0.02 0.00 0.00 57.16 56.88 1sci n GLU 50 Cb 0.07 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 29.69 1sci n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sci s ILE 51 N -3.15 5.29 -1.39 -3.67 -1.09 -0.21 -4.99 121.20 111.98 1sci s ILE 51 Ca 0.07 0.50 0.16 0.00 -2.23 0.00 0.00 60.65 59.15 1sci s ILE 51 Cb 0.13 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.36 1sci s ILE 51 CO 0.69 0.34 0.83 0.61 -1.23 0.00 0.00 174.94 176.18 1sci n GLY 52 N 3.76 -0.10 3.67 6.18 0.00 -1.26 -4.95 105.19 112.49 1sci n GLY 52 Ca -0.12 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1sci n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sci s SER 53 N -1.98 -0.38 0.45 1.61 1.04 -1.26 -5.00 113.70 108.18 1sci s SER 53 Ca 0.12 -0.35 0.18 0.00 0.48 0.00 0.00 55.95 56.39 1sci s SER 53 Cb 0.13 0.66 1.08 0.00 0.10 0.00 0.00 66.02 67.99 1sci s SER 53 CO 0.44 -1.16 1.97 0.15 0.98 0.00 0.00 173.24 175.62 1sci h PHE 54 N 2.00 0.00 -0.21 5.02 3.04 -1.90 -1.03 116.94 123.85 1sci h PHE 54 Ca -0.25 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.63 1sci h PHE 54 Cb 1.27 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 1sci h PHE 54 CO 0.34 0.21 -0.13 -0.44 -2.02 0.00 0.00 178.31 176.27 1sci h ASP 55 N 0.00 0.48 -0.65 0.41 5.19 -1.97 -1.49 116.42 118.39 1sci h ASP 55 Ca -0.00 -0.43 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 1sci h ASP 55 Cb 0.42 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1sci h ASP 55 CO 0.03 0.81 0.15 -0.33 -3.12 0.00 0.00 179.24 176.78 1sci h GLU 56 N 0.16 1.07 -0.46 3.56 5.08 -1.87 -1.72 114.58 120.40 1sci h GLU 56 Ca 0.04 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1sci h GLU 56 Cb 0.64 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1sci h GLU 56 CO 0.04 0.95 0.31 -0.92 -1.00 0.00 0.00 179.01 178.39 1sci h TYR 57 N 1.01 0.38 -0.00 4.33 3.20 -1.04 -0.92 116.97 123.94 1sci h TYR 57 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1sci h TYR 57 Cb 0.37 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1sci h TYR 57 CO 0.03 0.21 -0.02 0.43 -1.64 0.00 0.00 178.16 177.16 1sci n SER 58 N -4.47 0.07 -0.33 -2.11 7.64 -0.57 -2.05 113.62 111.79 1sci n SER 58 Ca 0.06 -0.15 -0.02 0.00 1.01 0.00 0.00 58.87 59.77 1sci n SER 58 Cb 0.25 -0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1sci n SER 58 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sci n GLU 59 N -1.27 -0.22 -0.25 1.43 0.00 -0.35 -0.62 120.64 119.37 1sci n GLU 59 Ca 0.14 1.30 0.12 0.00 0.00 0.00 0.00 57.16 58.72 1sci n GLU 59 Cb 0.26 -1.93 0.39 0.00 0.00 0.00 0.00 31.44 30.15 1sci n GLU 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 1sci h PRO 60 N 0.00 0.65 -0.17 5.31 0.11 -1.83 0.23 132.00 136.29 1sci h PRO 60 Ca 0.27 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 1sci h PRO 60 Cb 0.49 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1sci h PRO 60 CO -0.84 0.43 -0.18 1.25 -0.21 0.00 0.00 178.00 178.46 1sci h LEU 61 N 0.67 0.45 -0.71 2.35 5.85 -1.20 -1.72 115.31 120.99 1sci h LEU 61 Ca 0.42 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1sci h LEU 61 Cb 0.68 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1sci h LEU 61 CO -0.18 0.84 0.35 -0.07 -0.34 0.00 0.00 178.44 179.03 1sci h LEU 62 N 0.06 0.93 -0.74 2.25 3.38 -0.73 -1.63 115.31 118.82 1sci h LEU 62 Ca 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1sci h LEU 62 Cb 0.72 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1sci h LEU 62 CO 0.04 0.79 0.01 0.74 0.09 0.00 0.00 178.44 180.12 1sci h THR 63 N 0.99 1.26 -0.27 0.22 2.02 -0.58 -1.43 112.91 115.12 1sci h THR 63 Ca 0.24 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1sci h THR 63 Cb 0.11 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1sci h THR 63 CO -0.03 0.39 0.14 0.15 0.37 0.00 0.00 175.52 176.54 1sci h PHE 64 N 0.89 0.38 -0.59 3.16 3.57 -0.91 -2.23 116.94 121.21 1sci h PHE 64 Ca 0.17 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1sci h PHE 64 Cb 0.51 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 1sci h PHE 64 CO 0.03 0.34 0.16 -0.07 -2.23 0.00 0.00 178.31 176.54 1sci h LEU 65 N 0.31 0.84 -1.15 0.59 3.38 -1.14 -2.38 115.31 115.77 1sci h LEU 65 Ca 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1sci h LEU 65 Cb 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1sci h LEU 65 CO -0.01 0.81 0.48 -0.08 0.09 0.00 0.00 178.44 179.72 1sci h GLU 66 N 0.87 1.06 0.00 1.13 4.57 -1.00 -1.97 114.58 119.24 1sci h GLU 66 Ca 0.19 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1sci h GLU 66 Cb 0.29 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1sci h GLU 66 CO -0.00 0.74 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1sci n ALA 67 N -2.42 1.96 -2.41 2.92 0.00 -0.86 -4.77 120.51 114.93 1sci n ALA 67 Ca 0.08 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1sci n ALA 67 Cb 0.06 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1sci n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sci s LEU 68 N -2.70 4.26 0.64 0.00 1.43 -0.74 -5.00 118.68 116.57 1sci s LEU 68 Ca 0.15 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.91 1sci s LEU 68 Cb 0.13 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 1sci s LEU 68 CO 0.30 -0.65 1.29 -2.84 0.23 0.00 0.00 176.35 174.68 1sci s PRO 69 N 2.59 2.60 0.22 1.29 0.02 -1.26 -4.87 135.00 135.59 1sci s PRO 69 Ca 0.57 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 63.34 1sci s PRO 69 Cb -0.25 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.25 1sci s PRO 69 CO 0.21 -1.56 1.13 -2.30 -0.33 0.00 0.00 177.00 174.15 1sci n PRO 70 N -1.85 1.28 0.00 5.54 -0.02 -1.26 -1.77 135.00 136.92 1sci n PRO 70 Ca 0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1sci n PRO 70 Cb 0.48 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1sci n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sci n GLY 71 N 1.78 2.15 3.67 -1.23 0.00 -1.26 -5.03 105.19 105.27 1sci n GLY 71 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1sci n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sci s GLU 72 N -0.64 4.25 0.12 1.61 2.02 -0.73 -5.06 118.70 120.27 1sci s GLU 72 Ca 0.00 0.67 0.09 0.00 0.02 0.00 0.00 54.97 55.75 1sci s GLU 72 Cb 0.00 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1sci s GLU 72 CO 0.00 -0.20 -0.17 0.15 0.02 0.00 0.00 175.26 175.05 1sci s LYS 73 N 1.77 1.80 0.22 1.61 1.02 -1.26 -4.74 119.74 120.17 1sci s LYS 73 Ca 0.30 -1.18 0.05 0.00 0.02 0.00 0.00 55.97 55.16 1sci s LYS 73 Cb -0.16 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1sci s LYS 73 CO 0.11 0.48 -0.04 0.14 -0.92 0.00 0.00 175.35 175.12 1sci s VAL 74 N -1.18 1.24 -0.25 3.17 -7.23 -0.19 -4.55 120.40 111.41 1sci s VAL 74 Ca 0.18 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1sci s VAL 74 Cb -0.10 -2.25 -0.00 0.00 0.56 0.00 0.00 36.38 34.58 1sci s VAL 74 CO 0.10 -0.42 0.00 -0.63 -0.31 0.00 0.00 175.10 173.85 1sci s ILE 75 N -3.28 3.61 0.13 -0.62 1.01 -0.42 -1.02 121.20 120.60 1sci s ILE 75 Ca 0.26 -0.57 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 1sci s ILE 75 Cb 0.04 -2.73 -0.07 0.00 0.01 0.00 0.00 42.46 39.70 1sci s ILE 75 CO 0.08 0.29 0.73 -0.76 0.00 0.00 0.00 174.94 175.27 1sci s LEU 76 N 1.48 4.56 -0.14 2.97 1.43 -0.53 -1.33 118.68 127.12 1sci s LEU 76 Ca 0.04 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.67 1sci s LEU 76 Cb -0.15 -3.20 0.03 0.00 0.03 0.00 0.00 46.19 42.90 1sci s LEU 76 CO -0.01 0.19 -0.06 -0.69 0.23 0.00 0.00 176.35 176.02 1sci s VAL 77 N -0.96 1.02 0.00 -1.59 1.01 -0.34 0.72 120.40 120.27 1sci s VAL 77 Ca 0.35 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1sci s VAL 77 Cb -0.22 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1sci s VAL 77 CO 0.24 0.23 -0.23 -0.83 0.00 0.00 0.00 175.10 174.51 1sci s GLY 78 N 1.69 1.17 0.01 4.51 0.00 -0.42 0.37 107.32 114.66 1sci s GLY 78 Ca 0.03 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.73 1sci s GLY 78 CO -0.08 -0.90 -0.03 -1.83 0.00 0.00 0.00 173.10 170.26 1sci s GLU 79 N -0.76 2.65 2.60 2.90 -1.05 -0.85 -0.87 118.70 123.33 1sci s GLU 79 Ca 0.09 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1sci s GLU 79 Cb -0.09 -2.58 0.00 0.00 -0.44 0.00 0.00 34.13 31.02 1sci s GLU 79 CO 0.00 0.60 0.00 0.43 0.95 0.00 0.00 175.26 177.24 1sci n SER 80 N 1.33 0.00 0.00 0.83 7.64 -0.80 0.26 113.62 122.88 1sci n SER 80 Ca -0.14 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.88 1sci n SER 80 Cb 0.52 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.51 1sci n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sci h GLY 82 N 4.56 0.00 1.54 0.00 0.00 -0.39 -1.88 103.07 106.90 1sci h GLY 82 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1sci h GLY 82 CO 0.00 0.00 0.20 -1.33 0.00 0.00 0.00 176.54 175.41 1sci h GLY 83 N 0.11 0.23 1.50 4.60 0.00 -1.73 -0.67 103.07 107.11 1sci h GLY 83 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1sci h GLY 83 CO 0.00 0.06 -0.44 1.41 0.00 0.00 0.00 176.54 177.58 1sci h LEU 84 N 0.19 0.58 -0.76 3.11 3.38 -1.59 -1.83 115.31 118.41 1sci h LEU 84 Ca 0.13 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1sci h LEU 84 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1sci h LEU 84 CO -0.02 0.95 -0.08 0.78 0.09 0.00 0.00 178.44 180.15 1sci h ASN 85 N 0.44 0.85 -0.38 -0.43 4.21 -1.28 -1.87 115.58 117.11 1sci h ASN 85 Ca 0.03 -0.25 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 1sci h ASN 85 Cb 0.94 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 37.90 1sci h ASN 85 CO 0.08 0.96 0.21 0.40 -1.29 0.00 0.00 177.43 177.79 1sci h ILE 86 N 0.78 1.15 -0.41 2.81 2.04 -1.06 -0.18 117.51 122.63 1sci h ILE 86 Ca 0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1sci h ILE 86 Cb 0.58 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1sci h ILE 86 CO 0.04 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.56 1sci h ALA 87 N 1.07 0.52 -0.36 1.87 0.00 -1.11 0.37 119.26 121.62 1sci h ALA 87 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1sci h ALA 87 Cb 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1sci h ALA 87 CO -0.02 0.05 0.20 0.82 0.00 0.00 0.00 179.25 180.30 1sci h ILE 88 N 0.52 1.14 -0.74 0.00 2.04 -1.17 -2.57 117.51 116.73 1sci h ILE 88 Ca 0.14 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 1sci h ILE 88 Cb 0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1sci h ILE 88 CO -0.02 0.14 0.26 0.00 0.00 0.00 0.00 178.15 178.53 1sci h ALA 89 N 1.07 1.07 -0.00 1.87 0.00 -0.74 -2.93 119.26 119.60 1sci h ALA 89 Ca 0.13 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1sci h ALA 89 Cb 0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sci h ALA 89 CO -0.02 0.65 -0.27 0.00 0.00 0.00 0.00 179.25 179.60 1sci h ALA 90 N 1.20 1.54 0.00 0.00 0.00 -0.69 0.12 119.26 121.43 1sci h ALA 90 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sci h ALA 90 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sci h ALA 90 CO -0.01 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.33 1sci n ASP 91 N -4.21 0.00 0.00 0.00 8.00 -0.99 -2.18 116.55 117.18 1sci n ASP 91 Ca -0.02 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.14 1sci n ASP 91 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1sci n ASP 91 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1sci n LYS 92 N -0.79 2.57 -2.82 -1.24 3.00 -0.71 -4.90 118.16 113.27 1sci n LYS 92 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.43 1sci n LYS 92 Cb 0.06 -0.83 0.05 0.00 0.00 0.00 0.00 35.03 34.31 1sci n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1sci n TYR 93 N -1.43 1.27 -0.27 5.64 4.01 0.35 -4.92 117.16 121.81 1sci n TYR 93 Ca 0.00 -2.19 0.17 0.00 -0.16 0.00 0.00 57.90 55.72 1sci n TYR 93 Cb 0.29 -0.24 0.46 0.00 -0.31 0.00 0.00 39.34 39.54 1sci n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sci h GLU 95 N 0.51 0.00 -0.31 0.00 9.09 -1.91 -2.17 114.58 119.78 1sci h GLU 95 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1sci h GLU 95 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 1sci h GLU 95 CO -0.22 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.47 1sci n LYS 96 N -2.90 2.30 -3.81 1.06 5.02 0.09 -4.84 118.16 115.07 1sci n LYS 96 Ca -0.00 -1.96 -0.37 0.00 -2.02 0.00 0.00 58.31 53.96 1sci n LYS 96 Cb 0.21 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1sci n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sci s ILE 97 N -1.60 3.47 0.24 -0.18 1.01 -0.82 -1.02 121.20 122.30 1sci s ILE 97 Ca 0.36 -1.22 0.01 0.00 0.00 0.00 0.00 60.65 59.80 1sci s ILE 97 Cb 0.21 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 1sci s ILE 97 CO 0.30 -0.14 1.61 0.00 0.00 0.00 0.00 174.94 176.70 1sci h ALA 98 N 8.13 0.90 -1.43 9.38 0.00 -1.37 -3.46 119.26 131.41 1sci h ALA 98 Ca -0.23 -0.45 0.27 0.00 0.00 0.00 0.00 54.91 54.51 1sci h ALA 98 Cb 1.07 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 1sci h ALA 98 CO 0.57 0.64 0.83 0.00 0.00 0.00 0.00 179.25 181.30 1sci s ALA 99 N -4.15 -2.11 -0.07 0.00 0.00 -1.25 -4.53 121.76 109.64 1sci s ALA 99 Ca -0.06 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.42 1sci s ALA 99 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 1sci s ALA 99 CO 0.81 -0.67 -0.22 0.00 0.00 0.00 0.00 175.76 175.68 1sci s ALA 100 N -2.39 1.97 -0.18 0.00 0.00 -0.04 -1.45 121.76 119.68 1sci s ALA 100 Ca 0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1sci s ALA 100 Cb -0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 1sci s ALA 100 CO -0.04 0.31 -0.08 0.08 0.00 0.00 0.00 175.76 176.02 1sci s VAL 101 N 0.18 3.26 -0.26 0.00 1.01 0.22 -0.88 120.40 123.93 1sci s VAL 101 Ca -0.12 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1sci s VAL 101 Cb -0.16 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1sci s VAL 101 CO 0.06 0.47 0.16 -0.36 0.00 0.00 0.00 175.10 175.44 1sci s PHE 102 N 0.91 3.24 -0.52 5.22 0.40 0.86 -1.29 117.98 126.80 1sci s PHE 102 Ca -0.02 0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.39 1sci s PHE 102 Cb -0.15 -2.32 0.14 0.00 0.51 0.00 0.00 43.02 41.20 1sci s PHE 102 CO 0.00 -0.08 0.33 -1.58 0.70 0.00 0.00 175.22 174.58 1sci s HIS 103 N 1.44 3.49 -1.47 0.36 2.46 -0.04 0.60 115.29 122.13 1sci s HIS 103 Ca 0.07 -2.54 -0.02 0.00 0.47 0.00 0.00 55.06 53.04 1sci s HIS 103 Cb -0.15 -3.22 0.02 0.00 -0.13 0.00 0.00 32.58 29.09 1sci s HIS 103 CO 0.08 -0.91 0.37 0.09 -2.47 0.00 0.00 174.74 171.89 1sci n ASN 104 N 4.06 -0.34 -4.49 9.88 3.02 -0.09 -2.69 115.26 124.62 1sci n ASN 104 Ca 0.02 -1.07 -0.24 0.00 -0.03 0.00 0.00 54.58 53.27 1sci n ASN 104 Cb 0.40 -2.70 -0.10 0.00 -0.61 0.00 0.00 39.78 36.77 1sci n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sci s SER 105 N -4.26 3.68 0.57 6.41 0.15 -1.26 -1.91 113.70 117.09 1sci s SER 105 Ca 0.08 -0.98 -0.19 0.00 0.70 0.00 0.00 55.95 55.56 1sci s SER 105 Cb -0.05 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 1sci s SER 105 CO 0.92 0.04 1.21 0.68 1.20 0.00 0.00 173.24 177.29 1sci s VAL 106 N -2.43 2.67 -0.47 4.45 -7.23 0.16 -4.87 120.40 112.67 1sci s VAL 106 Ca 0.29 0.43 0.03 0.00 -1.81 0.00 0.00 61.98 60.92 1sci s VAL 106 Cb -0.05 -3.18 0.14 0.00 0.56 0.00 0.00 36.38 33.84 1sci s VAL 106 CO 0.15 -0.08 0.26 -0.22 -0.31 0.00 0.00 175.10 174.91 1sci s LEU 107 N -3.92 3.20 0.86 1.32 2.96 -1.26 -4.22 118.68 117.61 1sci s LEU 107 Ca 0.76 -2.81 -0.10 0.00 -0.22 0.00 0.00 54.13 51.75 1sci s LEU 107 Cb -0.30 -1.21 0.11 0.00 0.50 0.00 0.00 46.19 45.29 1sci s LEU 107 CO 0.34 -0.24 1.12 -2.84 -1.32 0.00 0.00 176.35 173.40 1sci s PRO 108 N 0.07 1.51 0.00 0.98 0.02 -1.26 -4.90 135.00 131.42 1sci s PRO 108 Ca 0.18 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1sci s PRO 108 Cb -0.23 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1sci s PRO 108 CO -0.01 -2.24 0.00 -0.40 -0.33 0.00 0.00 177.00 174.02 1sci n ASP 109 N -3.95 1.35 -0.02 2.53 5.68 -1.26 -5.03 116.55 115.85 1sci n ASP 109 Ca 0.11 -0.94 0.03 0.00 -0.50 0.00 0.00 54.79 53.48 1sci n ASP 109 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 1sci n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1sci n THR 110 N 0.00 0.00 0.05 2.12 -2.24 -1.26 -4.43 114.28 108.51 1sci n THR 110 Ca 0.00 -0.39 -0.02 0.00 -2.27 0.00 0.00 64.05 61.38 1sci n THR 110 Cb 0.00 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.17 1sci n THR 110 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sci h GLU 111 N 0.10 0.00 -6.04 -0.78 4.39 -1.98 -3.44 114.58 106.84 1sci h GLU 111 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1sci h GLU 111 Cb 0.14 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.69 1sci h GLU 111 CO 0.00 0.43 -0.57 -1.01 -1.16 0.00 0.00 179.01 176.70 1sci s HIS 112 N -2.86 2.62 0.87 4.33 3.76 -1.26 -5.12 115.29 117.63 1sci s HIS 112 Ca -0.01 -0.43 -0.12 0.00 -0.15 0.00 0.00 55.06 54.35 1sci s HIS 112 Cb 0.08 -1.60 0.11 0.00 1.11 0.00 0.00 32.58 32.29 1sci s HIS 112 CO 0.80 0.39 1.15 0.00 -0.85 0.00 0.00 174.74 176.24 1sci h PRO 114 N -1.40 0.00 -0.00 0.00 0.11 -1.80 -1.31 132.00 127.60 1sci h PRO 114 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sci h PRO 114 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1sci h PRO 114 CO 0.43 0.00 -0.17 -1.13 -0.21 0.00 0.00 178.00 176.93 1sci n SER 115 N -4.07 0.49 -0.37 -2.05 3.41 -1.25 -4.54 113.62 105.24 1sci n SER 115 Ca 0.11 -0.45 -0.11 0.00 -0.26 0.00 0.00 58.87 58.16 1sci n SER 115 Cb 0.70 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.50 1sci n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1sci h TYR 116 N 0.51 -1.79 0.00 7.33 3.20 -1.57 0.12 116.97 124.77 1sci h TYR 116 Ca 0.00 0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 1sci h TYR 116 Cb 0.41 0.90 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 1sci h TYR 116 CO 0.00 -0.37 -0.26 -0.39 -1.64 0.00 0.00 178.16 175.50 1sci h VAL 117 N -0.05 0.67 -0.25 1.81 -1.51 -1.83 -2.36 116.25 112.73 1sci h VAL 117 Ca 0.14 -1.16 -0.16 0.00 -1.23 0.00 0.00 66.70 64.29 1sci h VAL 117 Cb 0.41 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1sci h VAL 117 CO -0.86 0.25 -0.47 0.58 -1.23 0.00 0.00 177.57 175.85 1sci h VAL 118 N 0.00 1.30 -0.81 7.19 2.07 -1.47 -0.63 116.25 123.90 1sci h VAL 118 Ca -0.00 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.81 1sci h VAL 118 Cb 0.74 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1sci h VAL 118 CO 0.03 0.53 0.36 0.44 0.02 0.00 0.00 177.57 178.96 1sci h ASP 119 N 0.50 1.08 -0.60 0.57 3.32 -0.60 -1.64 116.42 119.05 1sci h ASP 119 Ca 0.01 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1sci h ASP 119 Cb 1.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 1sci h ASP 119 CO 0.11 0.93 0.10 0.50 -1.72 0.00 0.00 179.24 179.16 1sci h LYS 120 N 1.16 0.99 -0.74 3.56 1.63 -1.29 -2.71 116.57 119.18 1sci h LYS 120 Ca 0.28 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1sci h LYS 120 Cb 0.16 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1sci h LYS 120 CO -0.03 0.93 0.48 1.25 -3.45 0.00 0.00 179.45 178.63 1sci h LEU 121 N 0.90 0.83 -1.74 5.20 5.85 -0.52 -1.52 115.31 124.31 1sci h LEU 121 Ca 0.18 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1sci h LEU 121 Cb 0.41 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1sci h LEU 121 CO 0.01 0.59 -0.17 0.24 -0.34 0.00 0.00 178.44 178.77 1sci h MET 122 N 0.98 0.00 -0.10 1.25 2.86 -1.11 0.13 114.93 118.94 1sci h MET 122 Ca 0.28 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.73 1sci h MET 122 Cb -0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.59 1sci h MET 122 CO -0.07 0.17 -0.65 0.93 1.06 0.00 0.00 176.91 178.34 1sci h GLU 123 N 0.00 0.62 -0.00 1.72 5.08 -1.00 -2.76 114.58 118.24 1sci h GLU 123 Ca -0.00 -0.53 -0.20 0.00 -1.00 0.00 0.00 59.36 57.63 1sci h GLU 123 Cb 0.35 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1sci h GLU 123 CO 0.02 1.15 -0.88 0.28 -1.00 0.00 0.00 179.01 178.59 1sci h VAL 124 N 0.26 1.47 -2.68 3.13 2.07 -0.86 -3.38 116.25 116.26 1sci h VAL 124 Ca -0.05 -2.55 -0.60 0.00 0.82 0.00 0.00 66.70 64.31 1sci h VAL 124 Cb 1.30 2.43 -0.40 0.00 -1.52 0.00 0.00 31.29 33.10 1sci h VAL 124 CO 0.13 0.75 -0.77 0.33 0.02 0.00 0.00 177.57 178.03 1sci n PHE 125 N -3.69 1.36 0.08 1.57 7.35 0.42 -4.96 117.46 119.60 1sci n PHE 125 Ca -0.04 -3.85 -0.05 0.00 -0.76 0.00 0.00 57.45 52.75 1sci n PHE 125 Cb 0.80 -0.24 -0.05 0.00 0.35 0.00 0.00 39.48 40.35 1sci n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1sci h PRO 126 N 5.35 0.00 -4.87 -7.13 0.13 -1.67 -3.41 132.00 120.39 1sci h PRO 126 Ca 0.20 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.64 1sci h PRO 126 Cb 0.82 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.76 1sci h PRO 126 CO 0.57 0.88 -0.10 0.34 -0.23 0.00 0.00 178.00 179.45 1sci s ASP 127 N -6.71 6.21 -0.16 1.44 -1.08 -1.26 -4.91 116.67 110.21 1sci s ASP 127 Ca 0.01 -0.82 0.12 0.00 -0.52 0.00 0.00 52.55 51.34 1sci s ASP 127 Cb 0.10 -2.25 0.62 0.00 -1.46 0.00 0.00 42.92 39.94 1sci s ASP 127 CO 0.80 -0.72 1.47 0.79 0.52 0.00 0.00 175.17 178.03 1sci n TRP 128 N 5.81 1.51 0.00 -5.34 7.02 -1.26 -5.02 117.44 120.15 1sci n TRP 128 Ca -0.07 -0.54 0.00 0.00 -1.02 0.00 0.00 57.50 55.87 1sci n TRP 128 Cb 0.46 -0.36 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1sci n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1sci n LYS 129 N 0.59 0.00 -0.07 -0.99 5.02 -1.26 -2.12 118.16 119.32 1sci n LYS 129 Ca 0.21 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.52 1sci n LYS 129 Cb 0.92 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.99 1sci n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1sci n ASP 130 N 6.88 0.77 -4.76 4.39 5.75 -1.26 -4.89 116.55 123.42 1sci n ASP 130 Ca 0.00 -2.02 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 1sci n ASP 130 Cb 0.00 -0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 39.95 1sci n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1sci s THR 131 N -1.78 2.48 0.15 2.12 2.01 -0.90 -4.17 115.64 115.54 1sci s THR 131 Ca 0.08 0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.59 1sci s THR 131 Cb 0.04 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1sci s THR 131 CO 0.05 0.10 0.04 0.42 -0.69 0.00 0.00 174.62 174.54 1sci s THR 132 N -0.75 4.04 0.15 -0.82 -4.23 -0.74 -4.83 115.64 108.45 1sci s THR 132 Ca 0.54 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1sci s THR 132 Cb -0.43 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1sci s THR 132 CO 0.53 -0.05 -0.17 -0.31 -0.54 0.00 0.00 174.62 174.08 1sci s TYR 133 N -1.64 1.65 0.23 3.99 2.02 -1.26 -1.20 117.35 121.14 1sci s TYR 133 Ca 0.28 -0.50 -0.14 0.00 -0.37 0.00 0.00 57.07 56.34 1sci s TYR 133 Cb -0.10 -0.84 0.00 0.00 -0.40 0.00 0.00 41.96 40.62 1sci s TYR 133 CO 0.20 0.25 0.48 -0.59 -1.57 0.00 0.00 175.55 174.33 1sci s PHE 134 N -2.07 0.22 0.08 2.71 -0.71 -0.45 -4.98 117.98 112.77 1sci s PHE 134 Ca 0.13 -0.58 0.05 0.00 -1.04 0.00 0.00 56.93 55.49 1sci s PHE 134 Cb -0.05 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1sci s PHE 134 CO 0.05 -0.96 -0.15 0.95 -1.34 0.00 0.00 175.22 173.77 1sci s THR 135 N -3.97 1.18 0.14 -4.49 -4.23 -1.26 0.58 115.64 103.59 1sci s THR 135 Ca 0.18 -1.37 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 1sci s THR 135 Cb -0.01 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1sci s THR 135 CO 0.05 -0.24 0.30 -0.72 -0.54 0.00 0.00 174.62 173.48 1sci s TYR 136 N -1.37 0.17 -0.08 3.99 1.13 -0.75 -4.96 117.35 115.49 1sci s TYR 136 Ca -0.00 -0.54 0.02 0.00 -1.41 0.00 0.00 57.07 55.14 1sci s TYR 136 Cb -0.09 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.79 1sci s TYR 136 CO 0.02 -0.69 -0.13 0.99 -2.51 0.00 0.00 175.55 173.24 1sci s THR 137 N -3.90 3.17 -0.14 -3.49 2.01 -1.26 -0.48 115.64 111.55 1sci s THR 137 Ca 0.10 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.37 1sci s THR 137 Cb 0.03 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.32 1sci s THR 137 CO -0.06 0.57 0.34 -0.75 -0.69 0.00 0.00 174.62 174.03 1sci s LYS 138 N -0.43 0.31 -1.52 4.92 2.47 -0.64 -4.90 119.74 119.96 1sci s LYS 138 Ca 0.05 0.67 -0.12 0.00 -1.56 0.00 0.00 55.97 55.02 1sci s LYS 138 Cb -0.12 -0.07 0.08 0.00 -1.46 0.00 0.00 37.83 36.26 1sci s LYS 138 CO 0.02 -0.16 0.90 -0.25 0.16 0.00 0.00 175.35 176.02 1sci n ASP 139 N 4.25 -3.99 -0.21 1.43 8.00 -1.26 -1.55 116.55 123.23 1sci n ASP 139 Ca -0.24 -0.82 -0.03 0.00 0.71 0.00 0.00 54.79 54.41 1sci n ASP 139 Cb 0.54 -3.75 -0.01 0.00 -0.02 0.00 0.00 41.12 37.88 1sci n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sci n GLY 140 N -1.66 0.52 3.29 0.44 0.00 -1.26 -5.01 105.19 101.50 1sci n GLY 140 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 1sci n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sci s LYS 141 N -1.43 1.67 -0.28 1.61 -0.14 -0.59 -5.10 119.74 115.47 1sci s LYS 141 Ca 0.00 -0.97 -0.22 0.00 -1.36 0.00 0.00 55.97 53.42 1sci s LYS 141 Cb 0.00 -1.76 -0.01 0.00 -1.68 0.00 0.00 37.83 34.38 1sci s LYS 141 CO 0.00 0.46 0.71 -2.00 -0.76 0.00 0.00 175.35 173.76 1sci s GLU 142 N -1.03 4.02 -0.10 1.68 2.12 -1.26 -1.62 118.70 122.50 1sci s GLU 142 Ca 0.09 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.96 1sci s GLU 142 Cb -0.09 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 1sci s GLU 142 CO 0.01 -0.56 -0.04 0.42 -0.54 0.00 0.00 175.26 174.55 1sci s ILE 143 N 2.74 3.95 -0.34 -3.70 1.01 0.37 -4.96 121.20 120.26 1sci s ILE 143 Ca 0.29 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1sci s ILE 143 Cb -0.15 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 1sci s ILE 143 CO 0.11 0.57 0.48 -0.89 0.00 0.00 0.00 174.94 175.21 1sci s THR 144 N -0.52 5.05 0.32 2.92 2.01 -1.26 -1.80 115.64 122.36 1sci s THR 144 Ca 0.08 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.43 1sci s THR 144 Cb -0.12 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1sci s THR 144 CO 0.02 -0.17 0.47 -0.83 -0.69 0.00 0.00 174.62 173.42 1sci s GLY 145 N 1.74 1.42 0.10 4.40 0.00 0.20 -4.30 107.32 110.87 1sci s GLY 145 Ca 0.17 -1.24 -0.11 0.00 0.00 0.00 0.00 44.72 43.54 1sci s GLY 145 CO 0.13 -1.19 0.27 0.48 0.00 0.00 0.00 173.10 172.79 1sci s LEU 146 N -4.18 1.04 -0.16 0.66 2.34 0.29 -1.33 118.68 117.34 1sci s LEU 146 Ca 0.41 -0.53 -0.02 0.00 0.06 0.00 0.00 54.13 54.05 1sci s LEU 146 Cb -0.09 1.34 0.05 0.00 -0.56 0.00 0.00 46.19 46.92 1sci s LEU 146 CO 0.32 -0.78 0.02 -0.75 -1.06 0.00 0.00 176.35 174.11 1sci s LYS 147 N -3.84 0.67 0.14 1.48 2.20 -0.34 -0.73 119.74 119.31 1sci s LYS 147 Ca 0.04 -0.27 -0.35 0.00 -0.36 0.00 0.00 55.97 55.03 1sci s LYS 147 Cb 0.04 -1.79 -0.15 0.00 -1.51 0.00 0.00 37.83 34.41 1sci s LYS 147 CO -0.11 -0.54 1.46 1.28 -0.36 0.00 0.00 175.35 177.07 1sci n LEU 148 N 5.07 2.45 -4.77 5.43 4.77 -1.26 -1.79 117.00 126.91 1sci n LEU 148 Ca -0.09 1.10 -0.38 0.00 -0.03 0.00 0.00 56.01 56.62 1sci n LEU 148 Cb 0.48 -1.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.23 1sci n LEU 148 CO 0.12 -0.64 0.86 -0.83 -1.33 0.00 0.00 177.39 175.57 1sci s GLY 149 N 0.67 2.85 0.39 -0.72 0.00 -1.26 -4.83 107.32 104.41 1sci s GLY 149 Ca 0.80 1.01 0.09 0.00 0.00 0.00 0.00 44.72 46.62 1sci s GLY 149 CO 0.43 1.51 1.95 0.74 0.00 0.00 0.00 173.10 177.72 1sci h PHE 150 N 2.40 0.31 -0.14 1.90 0.04 -1.91 0.00 116.94 119.53 1sci h PHE 150 Ca -0.49 -0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.03 1sci h PHE 150 Cb 1.24 -0.09 0.01 0.00 2.20 0.00 0.00 35.95 39.31 1sci h PHE 150 CO 0.54 0.36 -0.78 1.15 -0.60 0.00 0.00 178.31 178.98 1sci h THR 151 N 0.29 1.29 -0.45 -1.55 2.02 -1.93 -0.72 112.91 111.86 1sci h THR 151 Ca 0.06 -2.00 -0.01 0.00 0.77 0.00 0.00 66.41 65.24 1sci h THR 151 Cb 0.28 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 1sci h THR 151 CO 0.01 0.63 0.24 0.25 0.37 0.00 0.00 175.52 177.02 1sci h LEU 152 N 0.51 0.57 -0.04 2.58 5.85 -1.74 0.41 115.31 123.45 1sci h LEU 152 Ca -0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1sci h LEU 152 Cb 1.40 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1sci h LEU 152 CO 0.16 0.51 0.01 -0.07 -0.34 0.00 0.00 178.44 178.71 1sci h LEU 153 N 0.59 -0.00 -0.19 2.25 3.38 -0.93 0.87 115.31 121.28 1sci h LEU 153 Ca 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1sci h LEU 153 Cb 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1sci h LEU 153 CO -0.02 0.01 0.11 -0.09 0.09 0.00 0.00 178.44 178.53 1sci h ARG 154 N 0.02 0.26 0.09 1.13 9.65 -0.85 0.19 114.38 124.87 1sci h ARG 154 Ca 0.02 -0.03 -0.31 0.00 -1.10 0.00 0.00 59.98 58.56 1sci h ARG 154 Cb 0.01 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 1sci h ARG 154 CO -0.02 0.24 -1.59 0.93 2.80 0.00 0.00 179.97 182.33 1sci h GLU 155 N 0.21 0.20 0.00 0.20 5.08 -0.87 -3.14 114.58 116.27 1sci h GLU 155 Ca 0.07 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 1sci h GLU 155 Cb 0.05 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1sci h GLU 155 CO -0.01 1.02 -1.89 0.09 -1.00 0.00 0.00 179.01 177.22 1sci n ASN 156 N -3.39 1.44 -0.11 1.42 4.13 0.29 -4.34 115.26 114.71 1sci n ASN 156 Ca -0.17 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.89 1sci n ASN 156 Cb 1.04 1.17 -0.07 0.00 -1.54 0.00 0.00 39.78 40.38 1sci n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1sci n LEU 157 N -2.35 1.83 -1.88 3.41 4.32 -1.07 -3.76 117.00 117.49 1sci n LEU 157 Ca -0.16 0.31 -0.17 0.00 -0.02 0.00 0.00 56.01 55.98 1sci n LEU 157 Cb 0.76 -0.73 0.13 0.00 -1.62 0.00 0.00 43.42 41.96 1sci n LEU 157 CO 0.31 0.19 1.06 -1.22 -1.22 0.00 0.00 177.39 176.52 1sci n TYR 158 N -4.24 2.20 -0.33 -1.77 4.02 0.63 -3.65 117.16 114.02 1sci n TYR 158 Ca -0.35 -1.45 -0.05 0.00 -0.01 0.00 0.00 57.90 56.04 1sci n TYR 158 Cb 0.70 -0.75 -0.02 0.00 -0.02 0.00 0.00 39.34 39.26 1sci n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1sci n THR 159 N -0.66 -0.49 -0.33 -0.72 -1.04 -1.18 -1.46 114.28 108.39 1sci n THR 159 Ca 0.43 1.96 0.07 0.00 -2.04 0.00 0.00 64.05 64.47 1sci n THR 159 Cb 1.34 -2.51 0.21 0.00 -1.82 0.00 0.00 70.33 67.55 1sci n THR 159 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1sci n LEU 160 N -5.13 3.37 -4.84 -4.42 4.77 -1.26 -4.96 117.00 104.53 1sci n LEU 160 Ca 0.05 -2.14 -0.32 0.00 -0.03 0.00 0.00 56.01 53.57 1sci n LEU 160 Cb 0.28 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1sci n LEU 160 CO -0.12 0.78 0.70 0.00 -1.33 0.00 0.00 177.39 177.42 1sci s GLY 162 N -3.44 1.64 0.55 0.00 0.00 -1.26 -4.83 107.32 99.97 1sci s GLY 162 Ca 0.59 0.03 0.31 0.00 0.00 0.00 0.00 44.72 45.65 1sci s GLY 162 CO 0.43 0.45 2.10 -0.56 0.00 0.00 0.00 173.10 175.52 1sci h PRO 163 N -1.27 0.00 -0.03 2.90 0.13 -1.97 -1.83 132.00 129.94 1sci h PRO 163 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 1sci h PRO 163 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1sci h PRO 163 CO 0.54 0.09 -0.61 1.05 -0.23 0.00 0.00 178.00 178.85 1sci h GLU 164 N 0.00 0.11 0.15 0.86 9.09 -2.00 -1.17 114.58 121.62 1sci h GLU 164 Ca -0.00 -0.07 -0.23 0.00 0.05 0.00 0.00 59.36 59.10 1sci h GLU 164 Cb 0.32 0.01 0.03 0.00 -1.65 0.00 0.00 28.75 27.45 1sci h GLU 164 CO 0.01 0.68 -1.00 0.93 0.05 0.00 0.00 179.01 179.68 1sci h GLU 165 N 0.08 0.41 -0.64 1.06 4.39 -1.76 -3.19 114.58 114.92 1sci h GLU 165 Ca -0.01 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 59.05 1sci h GLU 165 Cb 1.09 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1sci h GLU 165 CO 0.09 1.29 0.40 -0.92 -1.16 0.00 0.00 179.01 178.71 1sci h TYR 166 N -0.14 0.82 -0.62 4.33 3.20 -1.32 -2.30 116.97 120.93 1sci h TYR 166 Ca -0.17 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.73 1sci h TYR 166 Cb 1.76 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 1sci h TYR 166 CO 0.17 0.54 0.40 1.49 -1.64 0.00 0.00 178.16 179.12 1sci h GLU 167 N 0.87 0.79 -0.75 1.82 4.57 -1.25 -1.30 114.58 119.33 1sci h GLU 167 Ca 0.23 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1sci h GLU 167 Cb -0.06 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.31 1sci h GLU 167 CO -0.05 0.52 0.49 -0.07 -1.18 0.00 0.00 179.01 178.73 1sci h LEU 168 N 0.81 0.71 -0.36 1.64 3.38 -1.41 -0.74 115.31 119.34 1sci h LEU 168 Ca 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1sci h LEU 168 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1sci h LEU 168 CO -0.07 0.46 0.05 0.00 0.09 0.00 0.00 178.44 178.97 1sci h ALA 169 N 1.59 0.48 -0.23 1.53 0.00 -1.07 0.34 119.26 121.90 1sci h ALA 169 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1sci h ALA 169 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1sci h ALA 169 CO -0.11 0.20 -0.17 0.87 0.00 0.00 0.00 179.25 180.04 1sci h LYS 170 N 0.44 0.40 0.12 0.00 1.57 -0.69 -0.81 116.57 117.60 1sci h LYS 170 Ca 0.11 -0.12 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 1sci h LYS 170 Cb 0.38 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1sci h LYS 170 CO 0.01 0.57 -1.31 0.52 -0.57 0.00 0.00 179.45 178.67 1sci h MET 171 N 0.37 0.25 0.00 3.15 2.86 -0.93 -3.40 114.93 117.22 1sci h MET 171 Ca 0.07 -0.42 -0.09 0.00 -2.06 0.00 0.00 59.70 57.20 1sci h MET 171 Cb 0.52 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 1sci h MET 171 CO 0.03 1.17 -1.89 1.28 1.06 0.00 0.00 176.91 178.56 1sci n LEU 172 N -3.49 0.00 -4.76 1.22 4.77 0.12 -4.99 117.00 109.86 1sci n LEU 172 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 1sci n LEU 172 Cb 1.02 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 42.22 1sci n LEU 172 CO 0.53 0.12 1.20 0.35 -1.33 0.00 0.00 177.39 178.25 1sci n THR 173 N -2.25 1.48 -4.59 -5.08 -2.24 -0.32 -4.79 114.28 96.50 1sci n THR 173 Ca -0.10 -0.37 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1sci n THR 173 Cb 0.62 -1.98 -0.11 0.00 -2.10 0.00 0.00 70.33 66.76 1sci n THR 173 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sci s ARG 174 N -1.26 1.91 0.52 -0.78 0.52 -0.95 -5.01 118.95 113.90 1sci s ARG 174 Ca 0.59 -2.07 -0.22 0.00 -0.52 0.00 0.00 55.73 53.51 1sci s ARG 174 Cb -0.48 -1.53 -0.06 0.00 0.52 0.00 0.00 34.95 33.40 1sci s ARG 174 CO 0.56 -0.06 1.32 0.15 0.02 0.00 0.00 175.30 177.29 1sci s LYS 175 N -3.73 3.30 0.00 3.54 1.02 -1.26 -4.33 119.74 118.28 1sci s LYS 175 Ca 0.35 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.48 1sci s LYS 175 Cb 0.09 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1sci s LYS 175 CO 0.18 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.98 1sci n GLY 176 N 0.66 3.56 3.51 -3.33 0.00 0.09 -4.72 105.19 104.95 1sci n GLY 176 Ca 0.09 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 1sci n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sci s SER 177 N 0.51 -0.61 0.01 1.61 0.15 -1.26 -0.55 113.70 113.55 1sci s SER 177 Ca 0.00 0.56 0.23 0.00 0.70 0.00 0.00 55.95 57.44 1sci s SER 177 Cb 0.00 0.53 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 1sci s SER 177 CO 0.00 -0.65 1.15 0.18 1.20 0.00 0.00 173.24 175.13 1sci n LEU 178 N 0.66 0.72 -3.68 3.45 4.77 -1.26 -4.95 117.00 116.71 1sci n LEU 178 Ca -0.18 -0.21 -0.28 0.00 -0.03 0.00 0.00 56.01 55.32 1sci n LEU 178 Cb 0.58 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1sci n LEU 178 CO 0.21 0.17 -0.04 0.49 -1.33 0.00 0.00 177.39 176.89 1sci n PHE 179 N -1.55 -1.74 -0.11 -1.77 3.72 -1.26 -4.83 117.46 109.92 1sci n PHE 179 Ca 0.04 0.56 -0.05 0.00 -0.05 0.00 0.00 57.45 57.96 1sci n PHE 179 Cb 0.34 -2.70 0.02 0.00 -0.94 0.00 0.00 39.48 36.20 1sci n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1sci h GLN 180 N -1.06 0.15 0.00 -1.08 4.15 -1.92 0.64 115.11 115.99 1sci h GLN 180 Ca -0.46 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.88 1sci h GLN 180 Cb 1.31 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 1sci h GLN 180 CO 0.61 0.10 -0.33 -2.95 -1.93 0.00 0.00 178.83 174.33 1sci h ASN 181 N 0.16 0.00 0.27 -0.69 -1.07 -1.94 -1.78 115.58 110.53 1sci h ASN 181 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 56.30 56.32 1sci h ASN 181 Cb 0.24 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.49 1sci h ASN 181 CO -0.27 0.33 -0.97 0.40 0.07 0.00 0.00 177.43 176.99 1sci h ILE 182 N 0.00 1.38 -0.44 6.14 1.08 -1.72 -3.19 117.51 120.76 1sci h ILE 182 Ca -0.00 -2.41 -0.09 0.00 -0.39 0.00 0.00 64.86 61.97 1sci h ILE 182 Cb 0.63 2.41 -0.02 0.00 -3.07 0.00 0.00 36.82 36.77 1sci h ILE 182 CO 0.04 0.72 -0.08 -0.07 -0.69 0.00 0.00 178.15 178.08 1sci h LEU 183 N 0.26 0.75 -1.57 1.44 3.38 -0.55 -2.59 115.31 116.43 1sci h LEU 183 Ca -0.09 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1sci h LEU 183 Cb 1.61 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1sci h LEU 183 CO 0.17 0.87 0.33 0.00 0.09 0.00 0.00 178.44 179.90 1sci h ALA 184 N 1.21 1.75 -0.35 1.53 0.00 -1.32 -2.08 119.26 120.00 1sci h ALA 184 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sci h ALA 184 Cb 0.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sci h ALA 184 CO 0.03 0.19 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1sci n LYS 185 N -4.47 2.47 -2.81 0.00 5.02 -1.09 -4.78 118.16 112.50 1sci n LYS 185 Ca 0.05 -2.21 -0.35 0.00 -2.02 0.00 0.00 58.31 53.78 1sci n LYS 185 Cb 0.13 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 1sci n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1sci s ARG 186 N -1.55 4.38 0.46 1.97 3.52 -0.78 -5.00 118.95 121.94 1sci s ARG 186 Ca 0.38 1.20 -0.24 0.00 -0.13 0.00 0.00 55.73 56.94 1sci s ARG 186 Cb 0.22 -2.44 -0.08 0.00 -1.56 0.00 0.00 34.95 31.09 1sci s ARG 186 CO 0.32 0.10 1.33 -2.30 -0.81 0.00 0.00 175.30 173.93 1sci n PRO 187 N -0.14 1.95 -1.69 5.12 -0.02 -1.26 -4.53 135.00 134.43 1sci n PRO 187 Ca 0.05 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1sci n PRO 187 Cb 0.52 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1sci n PRO 187 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1sci n PHE 188 N -0.43 1.54 -2.25 6.00 3.01 -1.26 -4.75 117.46 119.32 1sci n PHE 188 Ca 0.07 0.42 -0.39 0.00 1.01 0.00 0.00 57.45 58.57 1sci n PHE 188 Cb 0.41 -2.22 -0.02 0.00 -0.01 0.00 0.00 39.48 37.64 1sci n PHE 188 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1sci s PHE 189 N -1.43 3.06 0.38 1.38 0.08 -1.26 -4.99 117.98 115.21 1sci s PHE 189 Ca 0.80 1.53 -0.13 0.00 0.12 0.00 0.00 56.93 59.25 1sci s PHE 189 Cb -0.39 -3.47 -0.08 0.00 -0.57 0.00 0.00 43.02 38.52 1sci s PHE 189 CO 0.43 -1.45 0.77 0.95 -0.10 0.00 0.00 175.22 175.82 1sci s THR 190 N -1.33 4.73 0.17 0.64 -4.23 -1.26 -4.56 115.64 109.79 1sci s THR 190 Ca 0.55 0.79 -0.02 0.00 -1.18 0.00 0.00 61.69 61.83 1sci s THR 190 Cb -0.33 -3.68 -0.12 0.00 1.34 0.00 0.00 72.50 69.71 1sci s THR 190 CO 0.42 -0.40 1.41 0.11 -0.54 0.00 0.00 174.62 175.62 1sci h LYS 191 N 1.62 0.39 -0.01 3.99 1.57 -1.94 -0.08 116.57 122.12 1sci h LYS 191 Ca -0.47 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 57.82 1sci h LYS 191 Cb 1.18 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1sci h LYS 191 CO 0.64 0.99 -0.66 0.93 -0.57 0.00 0.00 179.45 180.78 1sci h GLU 192 N 0.26 0.06 0.00 3.15 4.39 -1.94 -1.96 114.58 118.54 1sci h GLU 192 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1sci h GLU 192 Cb 1.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1sci h GLU 192 CO 0.13 0.70 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 1sci n GLY 193 N 0.38 0.54 0.35 -3.84 0.00 -1.22 -4.26 105.19 97.13 1sci n GLY 193 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1sci n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sci h TYR 194 N 0.00 1.05 0.00 1.61 3.20 -1.58 -1.81 116.97 119.43 1sci h TYR 194 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1sci h TYR 194 Cb 0.00 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 1sci h TYR 194 CO 0.00 0.40 -0.05 0.78 -1.64 0.00 0.00 178.16 177.65 1sci h GLY 195 N 0.91 0.00 1.56 1.82 0.00 -0.90 -2.94 103.07 103.52 1sci h GLY 195 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1sci h GLY 195 CO -0.28 0.00 -0.34 1.48 0.00 0.00 0.00 176.54 177.40 1sci h SER 196 N 0.00 0.00 -4.09 0.19 4.64 -0.52 -3.47 113.55 110.29 1sci h SER 196 Ca -0.00 -0.10 -0.45 0.00 -0.47 0.00 0.00 61.79 60.78 1sci h SER 196 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1sci h SER 196 CO 0.01 0.05 0.35 0.27 -0.87 0.00 0.00 176.83 176.63 1sci s ILE 197 N -3.16 4.41 0.15 0.95 -4.36 -1.11 -5.01 121.20 113.07 1sci s ILE 197 Ca 0.08 1.42 -0.30 0.00 -0.26 0.00 0.00 60.65 61.58 1sci s ILE 197 Cb 0.12 -3.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.13 1sci s ILE 197 CO 0.67 -0.41 1.26 -0.54 0.24 0.00 0.00 174.94 176.17 1sci s LYS 198 N -3.40 4.42 -0.14 0.37 -0.14 -1.26 -4.94 119.74 114.65 1sci s LYS 198 Ca 0.61 1.94 0.01 0.00 -1.36 0.00 0.00 55.97 57.17 1sci s LYS 198 Cb -0.09 -3.25 0.02 0.00 -1.68 0.00 0.00 37.83 32.82 1sci s LYS 198 CO 0.18 -0.23 -0.16 0.15 -0.76 0.00 0.00 175.35 174.53 1sci s LYS 199 N 0.31 2.40 -0.22 1.68 1.02 -1.26 -0.86 119.74 122.81 1sci s LYS 199 Ca 0.57 -0.61 -0.05 0.00 0.02 0.00 0.00 55.97 55.91 1sci s LYS 199 Cb -0.34 -2.11 -0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1sci s LYS 199 CO 0.34 -0.16 -0.01 0.42 -0.92 0.00 0.00 175.35 175.02 1sci s ILE 200 N 1.25 3.68 -0.37 2.17 1.09 -0.06 -0.91 121.20 128.05 1sci s ILE 200 Ca 0.00 -0.39 -0.12 0.00 -1.10 0.00 0.00 60.65 59.04 1sci s ILE 200 Cb -0.14 -2.68 0.01 0.00 -1.06 0.00 0.00 42.46 38.60 1sci s ILE 200 CO -0.07 0.41 0.24 -0.47 -0.10 0.00 0.00 174.94 174.95 1sci s TYR 201 N 1.37 3.23 -0.14 3.97 6.14 0.01 -0.10 117.35 131.83 1sci s TYR 201 Ca 0.04 -0.68 -0.04 0.00 0.64 0.00 0.00 57.07 57.04 1sci s TYR 201 Cb -0.14 -2.49 -0.03 0.00 0.42 0.00 0.00 41.96 39.72 1sci s TYR 201 CO -0.00 -0.56 -0.01 0.08 0.64 0.00 0.00 175.55 175.69 1sci s VAL 202 N 1.63 4.13 0.35 3.14 1.01 0.20 -0.60 120.40 130.26 1sci s VAL 202 Ca 0.04 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1sci s VAL 202 Cb -0.19 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.43 1sci s VAL 202 CO 0.08 0.51 0.77 -1.66 0.00 0.00 0.00 175.10 174.80 1sci s TRP 203 N 0.09 0.01 -0.02 5.22 1.48 -0.64 -0.91 118.94 124.17 1sci s TRP 203 Ca 0.01 -0.61 -0.02 0.00 -1.06 0.00 0.00 56.10 54.42 1sci s TRP 203 Cb -0.13 0.79 0.01 0.00 -1.16 0.00 0.00 33.47 32.98 1sci s TRP 203 CO 0.02 -1.46 0.05 -0.08 -4.06 0.00 0.00 176.95 171.43 1sci s THR 204 N -2.88 -0.01 -2.00 0.66 -1.32 -1.26 -0.00 115.64 108.83 1sci s THR 204 Ca 0.14 0.02 0.21 0.00 -1.21 0.00 0.00 61.69 60.85 1sci s THR 204 Cb -0.05 -0.09 0.60 0.00 -1.51 0.00 0.00 72.50 71.45 1sci s THR 204 CO 0.10 0.01 1.66 -0.90 -2.21 0.00 0.00 174.62 173.28 1sci n ASP 205 N 3.16 0.00 -1.01 8.08 5.68 -1.26 -2.64 116.55 128.55 1sci n ASP 205 Ca -0.14 -0.80 0.10 0.00 -0.50 0.00 0.00 54.79 53.46 1sci n ASP 205 Cb 0.59 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.83 1sci n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sci n GLN 206 N -0.95 2.30 -2.02 0.11 6.02 -1.26 -4.63 117.38 116.94 1sci n GLN 206 Ca 0.16 -1.99 -0.42 0.00 -0.01 0.00 0.00 57.00 54.74 1sci n GLN 206 Cb 0.07 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 1sci n GLN 206 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1sci s ASP 207 N -1.27 6.68 0.00 1.08 -1.08 -1.08 -4.59 116.67 116.40 1sci s ASP 207 Ca 0.38 2.33 0.28 0.00 -0.52 0.00 0.00 52.55 55.02 1sci s ASP 207 Cb 0.21 -2.56 1.18 0.00 -1.46 0.00 0.00 42.92 40.29 1sci s ASP 207 CO 0.28 -0.85 1.82 -0.62 0.52 0.00 0.00 175.17 176.32 1sci n GLU 208 N 5.91 1.56 0.00 4.34 -0.58 -1.26 -4.11 120.64 126.51 1sci n GLU 208 Ca 0.15 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 1sci n GLU 208 Cb 0.42 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1sci n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1sci n ILE 209 N -0.02 0.00 -2.97 -3.67 3.06 -1.25 -4.80 119.36 109.72 1sci n ILE 209 Ca 0.20 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 60.01 1sci n ILE 209 Cb 0.31 -1.24 0.00 0.00 0.54 0.00 0.00 39.64 39.26 1sci n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1sci n PHE 210 N -2.85 4.65 -1.18 9.51 3.01 -1.26 -4.82 117.46 124.51 1sci n PHE 210 Ca 0.00 -3.38 -0.35 0.00 1.01 0.00 0.00 57.45 54.73 1sci n PHE 210 Cb 0.44 -2.00 0.10 0.00 -0.01 0.00 0.00 39.48 38.02 1sci n PHE 210 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1sci n LEU 211 N 4.48 3.07 -0.31 4.37 4.77 -1.26 -4.64 117.00 127.49 1sci n LEU 211 Ca 0.34 0.59 0.10 0.00 -0.03 0.00 0.00 56.01 57.01 1sci n LEU 211 Cb 0.40 -1.40 0.27 0.00 -2.33 0.00 0.00 43.42 40.37 1sci n LEU 211 CO 0.62 -2.23 1.10 -0.65 -1.33 0.00 0.00 177.39 174.89 1sci h PRO 212 N -0.67 0.55 -0.53 3.23 0.11 -1.82 -0.65 132.00 132.23 1sci h PRO 212 Ca -0.46 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1sci h PRO 212 Cb 1.32 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1sci h PRO 212 CO 0.44 0.37 0.25 1.49 -0.21 0.00 0.00 178.00 180.34 1sci h GLU 213 N 0.57 0.46 0.03 1.05 4.81 -1.98 0.13 114.58 119.65 1sci h GLU 213 Ca 0.52 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1sci h GLU 213 Cb 0.84 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1sci h GLU 213 CO -0.42 0.30 -0.01 0.35 -0.73 0.00 0.00 179.01 178.50 1sci h PHE 214 N 0.47 -0.03 -0.48 0.92 3.57 -1.50 -1.55 116.94 118.34 1sci h PHE 214 Ca 0.25 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1sci h PHE 214 Cb 0.20 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1sci h PHE 214 CO -0.12 0.30 0.10 1.96 -2.23 0.00 0.00 178.31 178.32 1sci h GLN 215 N -0.37 0.77 -0.02 1.11 4.20 -1.07 -0.54 115.11 119.18 1sci h GLN 215 Ca -0.00 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1sci h GLN 215 Cb 0.34 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1sci h GLN 215 CO 0.01 0.76 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.56 1sci h LEU 216 N 0.65 0.04 -0.55 1.46 3.38 -0.81 -1.67 115.31 117.81 1sci h LEU 216 Ca 0.15 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1sci h LEU 216 Cb 0.35 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1sci h LEU 216 CO 0.00 0.34 -0.05 -0.25 0.09 0.00 0.00 178.44 178.58 1sci h TRP 217 N 0.04 1.11 -0.55 1.13 7.01 -0.61 -2.40 115.95 121.68 1sci h TRP 217 Ca 0.00 -0.21 -0.11 0.00 2.11 0.00 0.00 58.89 60.68 1sci h TRP 217 Cb 0.56 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1sci h TRP 217 CO 0.00 1.02 -0.10 1.96 -2.79 0.00 0.00 178.44 178.53 1sci h GLN 218 N 0.89 1.05 -0.83 2.65 4.20 -0.49 -0.91 115.11 121.67 1sci h GLN 218 Ca 0.15 -0.38 -0.03 0.00 0.06 0.00 0.00 58.65 58.44 1sci h GLN 218 Cb 0.61 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1sci h GLN 218 CO 0.04 1.08 0.39 0.82 -0.67 0.00 0.00 178.83 180.49 1sci h ILE 219 N 0.93 1.26 -0.18 2.54 2.04 -1.21 -1.04 117.51 121.85 1sci h ILE 219 Ca 0.14 -0.73 -0.17 0.00 1.00 0.00 0.00 64.86 65.10 1sci h ILE 219 Cb 0.67 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1sci h ILE 219 CO 0.05 0.31 -0.60 -0.08 0.00 0.00 0.00 178.15 177.83 1sci h GLU 220 N 1.18 0.60 -0.51 2.37 4.22 -1.30 -3.07 114.58 118.06 1sci h GLU 220 Ca 0.28 -0.40 -0.10 0.00 0.08 0.00 0.00 59.36 59.22 1sci h GLU 220 Cb 0.13 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1sci h GLU 220 CO -0.03 1.02 -0.05 -0.97 -2.18 0.00 0.00 179.01 176.79 1sci h ASN 221 N 0.45 0.93 -2.45 1.04 -1.24 -0.77 -3.39 115.58 110.14 1sci h ASN 221 Ca -0.00 -0.33 -0.53 0.00 0.71 0.00 0.00 56.30 56.14 1sci h ASN 221 Cb 1.17 -0.25 -0.37 0.00 0.73 0.00 0.00 38.32 39.59 1sci h ASN 221 CO 0.12 1.04 -0.81 -0.47 -1.29 0.00 0.00 177.43 176.01 1sci s TYR 222 N -4.92 0.46 -0.29 0.67 5.04 -0.43 -5.08 117.35 112.81 1sci s TYR 222 Ca -0.12 -1.41 -0.37 0.00 -2.44 0.00 0.00 57.07 52.73 1sci s TYR 222 Cb 0.12 -0.79 -0.13 0.00 0.35 0.00 0.00 41.96 41.51 1sci s TYR 222 CO 0.84 -0.86 2.00 1.17 -1.34 0.00 0.00 175.55 177.36 1sci n LYS 223 N 4.14 1.26 -1.60 4.97 4.81 -1.16 -4.65 118.16 125.93 1sci n LYS 223 Ca 0.11 0.41 -0.32 0.00 -0.87 0.00 0.00 58.31 57.65 1sci n LYS 223 Cb 0.39 -2.36 0.05 0.00 0.02 0.00 0.00 35.03 33.14 1sci n LYS 223 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1sci s PRO 224 N 5.03 2.83 0.30 1.64 0.02 -1.26 -4.94 135.00 138.61 1sci s PRO 224 Ca 1.04 1.10 0.12 0.00 0.02 0.00 0.00 61.00 63.27 1sci s PRO 224 Cb -0.91 -1.97 0.43 0.00 0.02 0.00 0.00 34.50 32.07 1sci s PRO 224 CO 0.55 -1.19 1.65 -0.44 -0.33 0.00 0.00 177.00 177.24 1sci h ASP 225 N -0.52 0.00 -4.09 2.53 3.32 -1.40 -3.45 116.42 112.82 1sci h ASP 225 Ca -0.45 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 1sci h ASP 225 Cb 1.22 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.54 1sci h ASP 225 CO 0.55 0.56 -0.18 -0.75 -1.72 0.00 0.00 179.24 177.70 1sci s LYS 226 N -3.66 0.57 -0.09 3.56 2.47 -1.16 -5.04 119.74 116.38 1sci s LYS 226 Ca -0.01 0.50 0.03 0.00 -1.56 0.00 0.00 55.97 54.93 1sci s LYS 226 Cb 0.13 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.78 1sci s LYS 226 CO 0.75 -0.09 -0.17 0.08 0.16 0.00 0.00 175.35 176.08 1sci s VAL 227 N -0.03 1.57 -0.14 4.02 1.01 -1.26 -0.81 120.40 124.77 1sci s VAL 227 Ca -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1sci s VAL 227 Cb -0.03 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1sci s VAL 227 CO 0.02 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.06 1sci s TYR 228 N 0.69 2.71 -0.23 5.22 1.51 0.23 -4.97 117.35 122.50 1sci s TYR 228 Ca -0.13 -1.23 -0.04 0.00 -1.01 0.00 0.00 57.07 54.67 1sci s TYR 228 Cb -0.16 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.85 1sci s TYR 228 CO 0.03 -0.56 -0.04 0.21 -1.11 0.00 0.00 175.55 174.08 1sci s LYS 229 N 0.80 3.23 -0.16 -0.62 2.20 -1.26 -1.63 119.74 122.31 1sci s LYS 229 Ca -0.07 -0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 54.66 1sci s LYS 229 Cb -0.15 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1sci s LYS 229 CO -0.01 -0.26 0.42 0.08 -0.36 0.00 0.00 175.35 175.22 1sci s VAL 230 N 1.45 5.21 0.11 4.02 1.01 1.00 -4.97 120.40 128.22 1sci s VAL 230 Ca 0.04 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.52 1sci s VAL 230 Cb -0.15 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 1sci s VAL 230 CO -0.03 0.30 0.98 -1.61 0.00 0.00 0.00 175.10 174.73 1sci s GLU 231 N 0.91 4.69 2.72 2.72 0.41 -1.26 -4.30 118.70 124.58 1sci s GLU 231 Ca 0.22 1.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.25 1sci s GLU 231 Cb -0.15 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 1sci s GLU 231 CO 0.08 0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.45 1sci n GLY 232 N 2.26 -0.68 7.00 -1.39 0.00 -1.26 -5.04 105.19 106.08 1sci n GLY 232 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1sci n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sci n GLY 233 N 0.00 0.23 0.00 -0.02 0.00 -1.26 -4.64 105.19 99.50 1sci n GLY 233 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1sci n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sci n ASP 234 N -2.37 0.00 -0.30 1.61 5.68 -1.26 -4.76 116.55 115.15 1sci n ASP 234 Ca 0.00 -0.41 0.07 0.00 -0.50 0.00 0.00 54.79 53.96 1sci n ASP 234 Cb 0.00 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.26 1sci n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1sci h HIS 235 N 0.41 1.00 -2.41 2.11 -0.00 -1.81 -3.21 115.15 111.24 1sci h HIS 235 Ca 0.00 0.03 -0.78 0.00 -0.00 0.00 0.00 60.37 59.61 1sci h HIS 235 Cb 0.00 -0.32 -0.23 0.00 -0.00 0.00 0.00 27.41 26.86 1sci h HIS 235 CO 0.00 0.45 1.22 1.28 -0.00 0.00 0.00 177.93 180.88 1sci n LEU 236 N -4.54 6.24 0.28 0.26 4.77 -1.24 -4.79 117.00 117.97 1sci n LEU 236 Ca 0.16 -4.92 0.15 0.00 -0.03 0.00 0.00 56.01 51.37 1sci n LEU 236 Cb 0.32 -1.41 0.80 0.00 -2.33 0.00 0.00 43.42 40.80 1sci n LEU 236 CO 0.30 1.43 1.02 -0.07 -1.33 0.00 0.00 177.39 178.74 1sci h LEU 237 N 6.90 0.00 0.00 2.23 3.38 -1.94 -1.07 115.31 124.82 1sci h LEU 237 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1sci h LEU 237 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1sci h LEU 237 CO 1.38 0.08 0.00 0.00 0.09 0.00 0.00 178.44 179.99 1sci n GLN 238 N -3.55 0.23 -0.04 1.13 0.00 -1.26 -0.44 117.38 113.45 1sci n GLN 238 Ca -0.02 0.12 -0.07 0.00 0.00 0.00 0.00 57.00 57.03 1sci n GLN 238 Cb 0.21 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 28.91 1sci n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sci n LEU 239 N -1.31 2.40 0.09 2.61 4.77 -0.49 -4.13 117.00 120.93 1sci n LEU 239 Ca 0.08 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1sci n LEU 239 Cb 0.16 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1sci n LEU 239 CO 0.15 0.53 -0.07 0.35 -1.33 0.00 0.00 177.39 177.02 1sci n THR 240 N -2.92 0.58 -2.73 -5.08 -2.24 -0.67 -4.34 114.28 96.87 1sci n THR 240 Ca -0.16 -0.55 -0.03 0.00 -2.27 0.00 0.00 64.05 61.04 1sci n THR 240 Cb 0.66 -0.32 0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1sci n THR 240 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sci n LYS 241 N -2.64 1.91 -0.18 -0.78 4.76 0.42 -4.87 118.16 116.76 1sci n LYS 241 Ca -0.01 -3.55 -0.04 0.00 -2.87 0.00 0.00 58.31 51.85 1sci n LYS 241 Cb 0.56 -1.65 0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1sci n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1sci h THR 242 N 5.23 0.28 -0.32 -0.18 2.02 -1.60 -0.86 112.91 117.48 1sci h THR 242 Ca -0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.14 1sci h THR 242 Cb 1.32 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1sci h THR 242 CO 0.24 0.00 0.09 0.50 0.37 0.00 0.00 175.52 176.73 1sci h LYS 243 N -0.11 0.22 -0.59 6.66 3.64 -1.92 -1.30 116.57 123.16 1sci h LYS 243 Ca 0.25 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1sci h LYS 243 Cb 0.51 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1sci h LYS 243 CO -0.63 0.14 0.36 0.93 -2.27 0.00 0.00 179.45 177.99 1sci h GLU 244 N 0.22 0.70 -0.55 1.90 3.07 -1.70 -1.72 114.58 116.50 1sci h GLU 244 Ca 0.14 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1sci h GLU 244 Cb 0.13 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1sci h GLU 244 CO -0.16 0.46 0.28 0.82 -1.40 0.00 0.00 179.01 179.01 1sci h ILE 245 N 0.72 1.19 -0.95 3.13 1.08 -0.75 -1.79 117.51 120.15 1sci h ILE 245 Ca 0.24 -0.51 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1sci h ILE 245 Cb 0.02 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.25 1sci h ILE 245 CO -0.10 0.21 0.62 0.00 -0.69 0.00 0.00 178.15 178.19 1sci h ALA 246 N 1.12 1.20 -0.66 1.87 0.00 -0.86 0.12 119.26 122.05 1sci h ALA 246 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1sci h ALA 246 Cb 0.08 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1sci h ALA 246 CO -0.03 0.61 0.19 0.93 0.00 0.00 0.00 179.25 180.95 1sci h GLU 247 N 1.29 1.03 -0.42 0.00 5.08 -0.97 -0.30 114.58 120.30 1sci h GLU 247 Ca 0.35 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1sci h GLU 247 Cb -0.13 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1sci h GLU 247 CO -0.07 0.91 0.07 0.82 -1.00 0.00 0.00 179.01 179.74 1sci h ILE 248 N 0.96 1.24 -0.18 3.13 2.04 -0.77 -2.32 117.51 121.61 1sci h ILE 248 Ca 0.21 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1sci h ILE 248 Cb 0.32 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1sci h ILE 248 CO -0.00 0.30 -0.10 -0.07 0.00 0.00 0.00 178.15 178.28 1sci h LEU 249 N 0.56 0.27 -0.43 1.44 3.38 -0.70 -1.23 115.31 118.60 1sci h LEU 249 Ca 0.13 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1sci h LEU 249 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sci h LEU 249 CO 0.01 0.40 0.04 -0.61 0.09 0.00 0.00 178.44 178.37 1sci h GLN 250 N 0.27 0.72 -0.72 1.13 5.75 -0.73 0.18 115.11 121.72 1sci h GLN 250 Ca 0.06 -0.21 -0.05 0.00 -0.15 0.00 0.00 58.65 58.30 1sci h GLN 250 Cb 0.35 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1sci h GLN 250 CO 0.02 0.77 0.27 0.93 -2.65 0.00 0.00 178.83 178.17 1sci h GLU 251 N 0.57 1.08 -0.52 1.69 5.08 -0.88 -0.66 114.58 120.93 1sci h GLU 251 Ca 0.13 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1sci h GLU 251 Cb 0.42 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sci h GLU 251 CO 0.01 0.89 0.23 0.28 -1.00 0.00 0.00 179.01 179.42 1sci h VAL 252 N 1.05 1.21 -0.81 3.13 2.07 -0.90 -1.04 116.25 120.96 1sci h VAL 252 Ca 0.24 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1sci h VAL 252 Cb 0.23 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1sci h VAL 252 CO -0.02 0.24 0.54 0.00 0.02 0.00 0.00 177.57 178.35 1sci h ALA 253 N 1.07 1.43 0.00 1.67 0.00 -0.29 0.36 119.26 123.50 1sci h ALA 253 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sci h ALA 253 Cb 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1sci h ALA 253 CO -0.02 0.53 0.00 -0.25 0.00 0.00 0.00 179.25 179.51 1sci n ASP 254 N -4.42 0.03 -0.12 0.00 8.00 -0.32 -4.09 116.55 115.65 1sci n ASP 254 Ca 0.09 0.50 -0.19 0.00 0.71 0.00 0.00 54.79 55.90 1sci n ASP 254 Cb 0.04 -0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 1sci n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1sci n THR 255 N -1.53 1.34 -5.19 -3.53 -1.04 -0.45 -4.99 114.28 98.90 1sci n THR 255 Ca 0.07 -0.46 -0.32 0.00 -2.04 0.00 0.00 64.05 61.30 1sci n THR 255 Cb 0.34 -1.48 -0.17 0.00 -1.82 0.00 0.00 70.33 67.21 1sci n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1sci s TYR 256 N -2.46 2.57 0.00 -1.42 2.02 0.00 -5.09 117.35 112.97 1sci s TYR 256 Ca -0.32 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 55.39 1sci s TYR 256 Cb 0.10 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 1sci s TYR 256 CO 0.50 -0.39 0.00 0.27 -1.57 0.00 0.00 175.55 174.37