#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iex s VAL 5 N 0.00 4.49 0.30 -3.33 -7.23 -1.26 -5.01 120.40 108.37 3iex s VAL 5 Ca 0.00 1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 61.31 3iex s VAL 5 Cb 0.00 -3.95 -0.12 0.00 0.56 0.00 0.00 36.38 32.88 3iex s VAL 5 CO 0.00 0.30 1.58 0.41 -0.31 0.00 0.00 175.10 177.09 3iex n THR 6 N 0.98 1.13 -0.73 5.32 -1.04 -1.26 -4.57 114.28 114.12 3iex n THR 6 Ca -0.03 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.05 61.63 3iex n THR 6 Cb 0.50 -1.96 -0.09 0.00 -1.82 0.00 0.00 70.33 66.96 3iex n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3iex n ALA 7 N 1.95 5.05 -1.95 2.41 0.00 -1.26 -4.57 120.51 122.14 3iex n ALA 7 Ca 0.08 -0.95 -0.25 0.00 0.00 0.00 0.00 53.44 52.31 3iex n ALA 7 Cb 0.37 -1.76 0.06 0.00 0.00 0.00 0.00 19.45 18.12 3iex n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iex s ASN 8 N 2.04 4.96 0.31 0.00 2.20 -1.26 -4.85 114.94 118.34 3iex s ASN 8 Ca 0.35 0.44 -0.00 0.00 -0.94 0.00 0.00 52.86 52.71 3iex s ASN 8 Cb 0.17 -1.16 0.52 0.00 -2.00 0.00 0.00 41.25 38.77 3iex s ASN 8 CO 0.00 -1.48 1.95 -0.29 -2.94 0.00 0.00 177.10 174.34 3iex h ILE 9 N -0.47 1.15 0.28 0.54 6.09 -1.95 -0.72 117.51 122.42 3iex h ILE 9 Ca -0.44 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 62.68 3iex h ILE 9 Cb 1.31 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.62 3iex h ILE 9 CO 0.59 0.19 -0.13 -0.33 -3.07 0.00 0.00 178.15 175.40 3iex h GLU 10 N 1.03 -0.36 -0.43 2.19 3.07 -1.94 0.14 114.58 118.29 3iex h GLU 10 Ca 0.32 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 59.15 3iex h GLU 10 Cb 0.01 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 3iex h GLU 10 CO -0.09 -0.16 0.05 -0.91 -1.40 0.00 0.00 179.01 176.50 3iex h ASN 11 N -0.49 0.70 -0.73 1.42 2.35 -1.75 -1.38 115.58 115.70 3iex h ASN 11 Ca -0.04 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3iex h ASN 11 Cb 0.37 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 3iex h ASN 11 CO 0.06 0.80 0.46 0.58 -1.65 0.00 0.00 177.43 177.68 3iex h VAL 12 N 0.58 1.20 -0.24 2.81 2.07 -1.12 -1.60 116.25 119.96 3iex h VAL 12 Ca 0.13 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3iex h VAL 12 Cb 0.41 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3iex h VAL 12 CO 0.01 0.20 0.15 0.11 0.02 0.00 0.00 177.57 178.06 3iex h LYS 13 N 0.99 0.30 -0.02 1.57 1.57 -0.44 0.19 116.57 120.73 3iex h LYS 13 Ca 0.26 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.06 3iex h LYS 13 Cb -0.07 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3iex h LYS 13 CO -0.05 0.20 -0.21 0.87 -0.57 0.00 0.00 179.45 179.69 3iex h LYS 14 N 0.31 -0.31 -0.09 3.15 1.57 -0.94 0.27 116.57 120.53 3iex h LYS 14 Ca 0.09 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3iex h LYS 14 Cb -0.02 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3iex h LYS 14 CO -0.03 -0.20 -0.05 0.28 -0.57 0.00 0.00 179.45 178.87 3iex h VAL 15 N -0.32 0.83 -0.60 0.50 2.07 -1.04 0.12 116.25 117.82 3iex h VAL 15 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 3iex h VAL 15 Cb 0.41 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3iex h VAL 15 CO -0.20 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.60 3iex h ALA 16 N 1.03 0.77 -0.21 1.67 0.00 -0.24 -0.78 119.26 121.50 3iex h ALA 16 Ca 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3iex h ALA 16 Cb 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3iex h ALA 16 CO -0.13 -0.20 0.06 0.45 0.00 0.00 0.00 179.25 179.43 3iex h HIS 17 N 0.39 0.34 -0.91 0.00 -0.00 0.03 0.12 115.15 115.13 3iex h HIS 17 Ca 0.30 -0.04 0.04 0.00 -0.00 0.00 0.00 60.37 60.67 3iex h HIS 17 Cb 0.37 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.63 3iex h HIS 17 CO -0.17 0.43 0.60 1.25 -0.00 0.00 0.00 177.93 180.04 3iex h HIS 18 N 0.16 1.10 -0.67 2.45 6.17 -0.56 -0.64 115.15 123.16 3iex h HIS 18 Ca 0.07 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.14 3iex h HIS 18 Cb 0.26 -0.37 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 3iex h HIS 18 CO 0.01 0.63 0.28 0.82 0.71 0.00 0.00 177.93 180.38 3iex h ILE 19 N 1.13 1.24 0.00 6.26 2.04 -0.70 -2.38 117.51 125.10 3iex h ILE 19 Ca 0.37 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3iex h ILE 19 Cb 0.03 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3iex h ILE 19 CO -0.11 0.29 0.00 1.56 0.00 0.00 0.00 178.15 179.89 3iex h GLN 20 N 0.94 0.00 -0.10 2.37 4.20 0.71 0.28 115.11 123.52 3iex h GLN 20 Ca 0.22 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.81 3iex h GLN 20 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3iex h GLN 20 CO -0.02 0.00 -0.50 0.87 -0.67 0.00 0.00 178.83 178.51 3iex h LYS 21 N 0.00 0.26 -0.00 1.46 6.56 -0.75 -3.26 116.57 120.83 3iex h LYS 21 Ca 0.00 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 3iex h LYS 21 Cb 0.31 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 3iex h LYS 21 CO 0.00 0.70 -0.36 1.28 -2.06 0.00 0.00 179.45 179.02 3iex n LEU 22 N -3.95 0.81 -3.61 2.94 4.77 0.95 -4.92 117.00 113.98 3iex n LEU 22 Ca -0.02 -0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 55.70 3iex n LEU 22 Cb 0.55 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3iex n LEU 22 CO 0.43 0.16 0.72 0.28 -1.33 0.00 0.00 177.39 177.66 3iex s THR 23 N -2.70 0.00 -1.52 -5.08 -1.32 -0.93 -5.02 115.64 99.07 3iex s THR 23 Ca 0.19 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.81 3iex s THR 23 Cb 0.19 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.42 3iex s THR 23 CO 0.59 0.00 1.12 -1.54 -2.21 0.00 0.00 174.62 172.59 3iex n SER 24 N 1.62 2.65 -4.60 8.08 3.41 -1.26 -4.43 113.62 119.10 3iex n SER 24 Ca -0.12 -1.78 -0.43 0.00 -0.26 0.00 0.00 58.87 56.28 3iex n SER 24 Cb 0.57 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3iex n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3iex s ILE 25 N -1.11 3.48 -0.53 -1.33 1.09 -1.26 -4.95 121.20 116.59 3iex s ILE 25 Ca 0.23 0.48 -0.25 0.00 -1.10 0.00 0.00 60.65 60.01 3iex s ILE 25 Cb 0.14 -3.67 0.04 0.00 -1.06 0.00 0.00 42.46 37.90 3iex s ILE 25 CO 0.19 -0.44 0.97 -0.69 -0.10 0.00 0.00 174.94 174.87 3iex s VAL 26 N 6.95 4.37 0.15 2.92 1.01 -1.26 -4.97 120.40 129.56 3iex s VAL 26 Ca 0.79 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 3iex s VAL 26 Cb -0.22 -4.53 -0.07 0.00 0.00 0.00 0.00 36.38 31.56 3iex s VAL 26 CO 0.33 -1.06 1.13 -2.16 0.00 0.00 0.00 175.10 173.34 3iex s PRO 27 N 4.01 4.54 -0.03 2.72 0.05 -1.25 -4.72 135.00 140.33 3iex s PRO 27 Ca 0.34 1.74 0.19 0.00 0.05 0.00 0.00 61.00 63.31 3iex s PRO 27 Cb -0.11 -3.29 -0.29 0.00 0.05 0.00 0.00 34.50 30.85 3iex s PRO 27 CO 0.22 -0.02 0.41 -0.85 0.05 0.00 0.00 177.00 176.80 3iex n GLU 28 N 2.78 0.59 -4.64 4.56 0.28 0.05 -1.95 120.64 122.31 3iex n GLU 28 Ca 0.04 -0.17 -0.31 0.00 -0.16 0.00 0.00 57.16 56.56 3iex n GLU 28 Cb 0.46 -1.45 -0.17 0.00 1.43 0.00 0.00 31.44 31.71 3iex n GLU 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3iex s ILE 29 N -3.30 1.85 -0.15 3.84 1.01 -0.89 0.77 121.20 124.32 3iex s ILE 29 Ca -0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 3iex s ILE 29 Cb 0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 3iex s ILE 29 CO 0.79 0.51 0.10 -0.83 0.00 0.00 0.00 174.94 175.51 3iex s GLY 30 N 0.83 2.02 -0.11 6.18 0.00 0.72 -0.75 107.32 116.21 3iex s GLY 30 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3iex s GLY 30 CO -0.01 -0.14 -0.19 -0.42 0.00 0.00 0.00 173.10 172.34 3iex s ILE 31 N -0.26 1.78 -0.38 0.90 1.01 0.36 0.21 121.20 124.82 3iex s ILE 31 Ca 0.10 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3iex s ILE 31 Cb -0.12 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.82 3iex s ILE 31 CO 0.01 0.50 0.19 -0.63 0.00 0.00 0.00 174.94 175.00 3iex s ILE 32 N 0.78 4.15 -0.19 2.92 1.01 0.28 0.45 121.20 130.60 3iex s ILE 32 Ca -0.10 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.11 3iex s ILE 32 Cb -0.16 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3iex s ILE 32 CO 0.01 -0.31 1.31 0.00 0.00 0.00 0.00 174.94 175.94 3iex n GLY 34 N 3.83 6.57 3.51 0.00 0.00 -1.10 -4.77 105.19 113.23 3iex n GLY 34 Ca 0.14 -2.00 -0.53 0.00 0.00 0.00 0.00 46.02 43.63 3iex n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3iex n SER 35 N 0.00 0.30 0.00 1.61 2.88 -1.26 -1.25 113.62 115.90 3iex n SER 35 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 3iex n SER 35 Cb 0.00 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 3iex n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iex n GLY 36 N 1.86 0.96 3.30 0.46 0.00 -1.22 -4.29 105.19 106.26 3iex n GLY 36 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3iex n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iex s LEU 37 N 0.00 2.33 0.00 0.99 1.43 -0.38 -3.89 118.68 119.15 3iex s LEU 37 Ca 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3iex s LEU 37 Cb 0.00 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3iex s LEU 37 CO 0.00 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3iex n GLY 38 N 0.93 0.97 0.00 -3.19 0.00 -1.26 -4.67 105.19 97.97 3iex n GLY 38 Ca -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3iex n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iex n GLY 43 N 0.00 3.49 3.68 -0.02 0.00 -1.26 -4.95 105.19 106.13 3iex n GLY 43 Ca 0.00 -1.01 -0.45 0.00 0.00 0.00 0.00 46.02 44.56 3iex n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iex n VAL 44 N 0.00 0.05 -4.11 1.61 0.31 -1.26 -4.92 118.33 110.00 3iex n VAL 44 Ca 0.00 -0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 3iex n VAL 44 Cb 0.00 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 3iex n VAL 44 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iex s LYS 45 N 1.20 2.83 -1.33 5.55 1.02 0.23 -4.51 119.74 124.73 3iex s LYS 45 Ca 0.79 -0.96 -0.02 0.00 0.02 0.00 0.00 55.97 55.80 3iex s LYS 45 Cb -0.64 -2.58 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3iex s LYS 45 CO 0.38 0.46 0.74 -0.25 -0.92 0.00 0.00 175.35 175.75 3iex n ASP 46 N -0.54 -1.62 -4.81 2.83 10.43 -1.26 0.33 116.55 121.91 3iex n ASP 46 Ca -0.08 -0.81 -0.32 0.00 2.57 0.00 0.00 54.79 56.15 3iex n ASP 46 Cb 0.56 -4.06 -0.06 0.00 1.84 0.00 0.00 41.12 39.39 3iex n ASP 46 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 3iex s LYS 47 N -6.04 3.08 -0.11 -1.24 -2.85 -1.26 -4.41 119.74 106.91 3iex s LYS 47 Ca 0.08 -0.54 0.01 0.00 -1.00 0.00 0.00 55.97 54.52 3iex s LYS 47 Cb -0.04 -2.86 -0.02 0.00 -2.06 0.00 0.00 37.83 32.86 3iex s LYS 47 CO 0.81 0.62 -0.14 -1.50 0.10 0.00 0.00 175.35 175.24 3iex s ILE 48 N -1.32 3.04 -0.42 3.79 1.10 -0.49 -4.99 121.20 121.91 3iex s ILE 48 Ca 0.27 -0.68 -0.13 0.00 -0.51 0.00 0.00 60.65 59.60 3iex s ILE 48 Cb -0.12 -2.25 0.04 0.00 0.15 0.00 0.00 42.46 40.28 3iex s ILE 48 CO 0.19 0.54 0.29 -0.89 -2.11 0.00 0.00 174.94 172.96 3iex s THR 49 N 0.09 4.94 -0.52 4.00 2.01 -1.26 -1.39 115.64 123.50 3iex s THR 49 Ca -0.06 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.88 3iex s THR 49 Cb -0.15 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.65 3iex s THR 49 CO 0.05 -0.38 0.47 -0.63 -0.69 0.00 0.00 174.62 173.44 3iex s ILE 50 N 1.60 5.16 0.31 1.82 1.01 0.41 -4.92 121.20 126.60 3iex s ILE 50 Ca 0.04 -1.44 -0.29 0.00 0.00 0.00 0.00 60.65 58.95 3iex s ILE 50 Cb -0.21 -4.27 -0.12 0.00 0.01 0.00 0.00 42.46 37.87 3iex s ILE 50 CO 0.07 -0.81 1.44 -2.65 0.00 0.00 0.00 174.94 172.98 3iex n PRO 51 N 5.22 2.36 0.02 2.79 -0.02 -1.26 0.66 135.00 144.77 3iex n PRO 51 Ca -0.13 0.83 0.22 0.00 -2.02 0.00 0.00 63.50 62.40 3iex n PRO 51 Cb 0.41 -2.51 0.73 0.00 -0.02 0.00 0.00 33.50 32.10 3iex n PRO 51 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3iex h TYR 52 N 3.60 0.00 0.00 6.00 0.05 0.52 0.99 116.97 128.14 3iex h TYR 52 Ca -0.47 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 3iex h TYR 52 Cb 1.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.00 3iex h TYR 52 CO 0.54 0.00 -0.06 1.79 -1.05 0.00 0.00 178.16 179.39 3iex h THR 53 N 0.00 0.27 -0.01 -2.88 1.35 -1.88 -1.45 112.91 108.31 3iex h THR 53 Ca 0.26 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 3iex h THR 53 Cb 1.24 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3iex h THR 53 CO -0.00 0.06 -0.06 0.29 -0.25 0.00 0.00 175.52 175.56 3iex n LYS 54 N -3.35 1.40 -3.80 4.72 4.01 0.34 -4.74 118.16 116.74 3iex n LYS 54 Ca -0.01 -0.77 -0.36 0.00 -0.51 0.00 0.00 58.31 56.66 3iex n LYS 54 Cb 0.21 -1.48 -0.12 0.00 -0.51 0.00 0.00 35.03 33.13 3iex n LYS 54 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3iex s ILE 55 N -2.13 3.27 0.19 -0.18 1.01 -0.55 -5.02 121.20 117.79 3iex s ILE 55 Ca 0.35 -1.83 -0.33 0.00 0.00 0.00 0.00 60.65 58.85 3iex s ILE 55 Cb 0.21 -3.13 -0.14 0.00 0.01 0.00 0.00 42.46 39.40 3iex s ILE 55 CO 0.38 -0.52 1.37 -0.81 0.00 0.00 0.00 174.94 175.37 3iex n PRO 56 N 4.62 1.73 0.00 2.79 -0.04 -1.26 -1.60 135.00 141.24 3iex n PRO 56 Ca -0.06 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3iex n PRO 56 Cb 0.42 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 3iex n PRO 56 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iex n ASN 57 N 2.41 0.00 -4.76 3.54 3.02 -1.26 -4.68 115.26 113.53 3iex n ASN 57 Ca 0.14 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 3iex n ASN 57 Cb 0.28 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 3iex n ASN 57 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3iex s PHE 58 N -1.95 3.30 0.71 3.10 5.36 -0.63 -4.74 117.98 123.13 3iex s PHE 58 Ca 0.00 1.46 -0.16 0.00 -0.96 0.00 0.00 56.93 57.27 3iex s PHE 58 Cb 0.00 -3.51 0.02 0.00 -0.34 0.00 0.00 43.02 39.18 3iex s PHE 58 CO 0.00 -1.39 1.10 -2.30 -1.46 0.00 0.00 175.22 171.18 3iex n PRO 59 N 1.49 0.62 -4.75 10.12 -0.02 -1.26 -4.95 135.00 136.25 3iex n PRO 59 Ca 0.01 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3iex n PRO 59 Cb 0.43 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.41 3iex n PRO 59 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iex s GLN 60 N -3.48 3.29 -0.01 -0.52 -1.52 -1.26 -4.88 119.66 111.28 3iex s GLN 60 Ca 0.76 -0.73 -0.12 0.00 -1.95 0.00 0.00 55.36 53.32 3iex s GLN 60 Cb -0.35 -2.59 0.02 0.00 -0.22 0.00 0.00 33.01 29.87 3iex s GLN 60 CO 0.47 0.14 0.26 -0.08 -0.25 0.00 0.00 175.29 175.83 3iex s THR 61 N 0.51 0.07 0.00 -0.19 -1.32 -1.26 -5.06 115.64 108.39 3iex s THR 61 Ca -0.10 -0.55 0.05 0.00 -1.21 0.00 0.00 61.69 59.88 3iex s THR 61 Cb -0.16 -0.57 -0.03 0.00 -1.51 0.00 0.00 72.50 70.23 3iex s THR 61 CO 0.04 -0.30 -0.13 -0.94 -2.21 0.00 0.00 174.62 171.08 3iex s SER 62 N -1.37 4.16 0.73 8.08 1.04 -1.26 -0.00 113.70 125.08 3iex s SER 62 Ca -0.14 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 3iex s SER 62 Cb -0.06 -0.85 0.03 0.00 0.10 0.00 0.00 66.02 65.24 3iex s SER 62 CO 0.03 0.29 1.08 -0.55 0.98 0.00 0.00 173.24 175.07 3iex s SER 67 N -1.25 5.15 0.55 7.02 0.15 -1.26 -5.10 113.70 118.96 3iex s SER 67 Ca 0.15 1.40 -0.17 0.00 0.70 0.00 0.00 55.95 58.04 3iex s SER 67 Cb -0.11 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 61.91 3iex s SER 67 CO 0.05 -1.57 1.03 -0.83 1.20 0.00 0.00 173.24 173.12 3iex s GLY 68 N -3.96 2.14 0.00 9.45 0.00 1.00 -4.88 107.32 111.07 3iex s GLY 68 Ca 0.59 0.33 0.05 0.00 0.00 0.00 0.00 44.72 45.69 3iex s GLY 68 CO 0.54 0.63 -0.17 -1.31 0.00 0.00 0.00 173.10 172.80 3iex s ASN 69 N -2.81 1.96 -0.43 1.64 0.01 0.44 0.12 114.94 115.86 3iex s ASN 69 Ca 0.62 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 52.29 3iex s ASN 69 Cb -0.14 -0.20 0.06 0.00 0.41 0.00 0.00 41.25 41.38 3iex s ASN 69 CO 0.33 0.17 0.31 -0.22 -1.51 0.00 0.00 177.10 176.18 3iex s LEU 70 N -0.60 5.25 -0.31 0.60 2.96 0.21 -0.00 118.68 126.78 3iex s LEU 70 Ca 0.06 -1.23 -0.10 0.00 -0.22 0.00 0.00 54.13 52.64 3iex s LEU 70 Cb -0.07 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 3iex s LEU 70 CO -0.00 -0.54 0.17 -0.63 -1.32 0.00 0.00 176.35 174.04 3iex s ILE 71 N 1.58 4.81 0.14 6.68 1.01 0.57 -0.44 121.20 135.56 3iex s ILE 71 Ca 0.04 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3iex s ILE 71 Cb -0.22 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3iex s ILE 71 CO 0.06 0.07 0.17 -0.36 0.00 0.00 0.00 174.94 174.87 3iex s PHE 72 N 1.65 3.25 -4.98 3.97 0.40 -0.49 0.14 117.98 121.93 3iex s PHE 72 Ca 0.05 0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 3iex s PHE 72 Cb -0.17 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.78 3iex s PHE 72 CO 0.08 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.93 3iex n GLY 73 N -0.23 -0.68 3.32 4.36 0.00 -0.77 -1.40 105.19 109.78 3iex n GLY 73 Ca -0.08 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3iex n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iex s THR 74 N -3.00 2.81 -0.08 2.61 2.01 0.15 -0.76 115.64 119.38 3iex s THR 74 Ca 0.00 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.26 3iex s THR 74 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.36 3iex s THR 74 CO 0.00 0.52 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.18 3iex s LEU 75 N 0.52 1.12 -1.57 4.42 2.96 0.25 -0.60 118.68 125.78 3iex s LEU 75 Ca -0.10 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.50 3iex s LEU 75 Cb -0.16 -0.62 0.10 0.00 0.50 0.00 0.00 46.19 46.00 3iex s LEU 75 CO 0.04 -0.10 0.75 -1.20 -1.32 0.00 0.00 176.35 174.52 3iex n SER 76 N 4.60 -2.91 0.00 3.68 7.64 -1.26 -0.80 113.62 124.57 3iex n SER 76 Ca -0.16 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3iex n SER 76 Cb 0.50 -3.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.52 3iex n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iex n GLY 77 N -1.62 1.23 3.62 0.23 0.00 -1.26 -4.42 105.19 102.96 3iex n GLY 77 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3iex n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iex s ARG 78 N -0.07 2.63 -0.03 1.61 1.81 0.02 -5.07 118.95 119.85 3iex s ARG 78 Ca 0.00 -0.67 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 3iex s ARG 78 Cb 0.00 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 3iex s ARG 78 CO 0.00 0.62 1.33 0.15 -0.68 0.00 0.00 175.30 176.72 3iex s LYS 79 N -1.39 4.30 0.07 3.54 -0.14 -1.26 -0.58 119.74 124.27 3iex s LYS 79 Ca 0.17 1.85 0.05 0.00 -1.36 0.00 0.00 55.97 56.68 3iex s LYS 79 Cb -0.11 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.41 3iex s LYS 79 CO 0.07 -0.55 -0.13 0.14 -0.76 0.00 0.00 175.35 174.12 3iex s VAL 80 N 2.48 1.02 -0.15 3.17 -7.23 0.06 -0.77 120.40 118.98 3iex s VAL 80 Ca 0.61 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 3iex s VAL 80 Cb -0.28 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.67 3iex s VAL 80 CO 0.24 -0.25 -0.21 0.54 -0.31 0.00 0.00 175.10 175.11 3iex s VAL 81 N -1.29 2.04 -0.23 1.32 0.11 0.07 -1.85 120.40 120.58 3iex s VAL 81 Ca -0.03 -0.96 -0.07 0.00 -2.93 0.00 0.00 61.98 57.99 3iex s VAL 81 Cb -0.10 -1.82 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 3iex s VAL 81 CO 0.02 0.54 0.06 -0.69 -3.33 0.00 0.00 175.10 171.70 3iex s VAL 82 N 0.95 4.33 -0.55 2.04 1.01 0.37 -0.49 120.40 128.06 3iex s VAL 82 Ca -0.04 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 3iex s VAL 82 Cb -0.15 -3.00 0.04 0.00 0.00 0.00 0.00 36.38 33.27 3iex s VAL 82 CO -0.05 0.38 0.98 -0.32 0.00 0.00 0.00 175.10 176.08 3iex s MET 83 N 1.28 3.37 -0.48 2.72 1.75 0.17 -0.31 119.30 127.79 3iex s MET 83 Ca 0.05 -0.17 -0.11 0.00 -1.25 0.00 0.00 55.69 54.20 3iex s MET 83 Cb -0.15 -4.04 0.11 0.00 2.84 0.00 0.00 34.83 33.60 3iex s MET 83 CO 0.03 -1.50 0.37 -1.14 -0.65 0.00 0.00 175.02 172.13 3iex s GLN 84 N 4.08 2.63 0.00 4.11 0.74 1.00 -2.86 119.66 129.36 3iex s GLN 84 Ca 0.32 -1.69 0.00 0.00 0.05 0.00 0.00 55.36 54.04 3iex s GLN 84 Cb -0.12 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.99 3iex s GLN 84 CO 0.20 -1.19 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 3iex n GLY 85 N 5.00 2.52 3.86 2.59 0.00 -1.26 0.17 105.19 118.07 3iex n GLY 85 Ca -0.10 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 3iex n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iex s ARG 86 N -1.68 3.06 -0.35 1.61 3.52 -1.26 -4.85 118.95 119.00 3iex s ARG 86 Ca 0.00 -0.97 -0.02 0.00 -0.13 0.00 0.00 55.73 54.60 3iex s ARG 86 Cb 0.00 -2.65 0.08 0.00 -1.56 0.00 0.00 34.95 30.82 3iex s ARG 86 CO 0.00 0.41 0.10 -0.06 -0.81 0.00 0.00 175.30 174.94 3iex s PHE 87 N -2.08 3.43 -0.18 5.12 0.08 -1.26 -4.95 117.98 118.13 3iex s PHE 87 Ca 0.33 -2.12 -0.10 0.00 0.12 0.00 0.00 56.93 55.16 3iex s PHE 87 Cb -0.08 -2.63 -0.05 0.00 -0.57 0.00 0.00 43.02 39.69 3iex s PHE 87 CO 0.26 -0.88 0.15 -1.01 -0.10 0.00 0.00 175.22 173.65 3iex s HIS 88 N 1.20 3.44 0.44 0.36 3.76 -1.26 -4.88 115.29 118.35 3iex s HIS 88 Ca 0.01 0.39 0.17 0.00 -0.15 0.00 0.00 55.06 55.49 3iex s HIS 88 Cb -0.21 -2.16 1.09 0.00 1.11 0.00 0.00 32.58 32.42 3iex s HIS 88 CO -0.02 0.34 1.92 0.52 -0.85 0.00 0.00 174.74 176.64 3iex h MET 89 N 6.45 0.36 0.00 1.40 2.86 -1.85 0.21 114.93 124.35 3iex h MET 89 Ca -0.43 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 3iex h MET 89 Cb 1.16 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.74 3iex h MET 89 CO 0.74 0.24 0.00 0.10 1.06 0.00 0.00 176.91 179.05 3iex h TYR 90 N 0.37 0.00 0.00 -0.22 -0.00 -1.85 -1.19 116.97 114.09 3iex h TYR 90 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.10 3iex h TYR 90 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.65 3iex h TYR 90 CO -0.00 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.55 3iex n GLU 91 N -2.52 0.01 -0.03 0.10 -0.58 0.06 -4.79 120.64 112.90 3iex n GLU 91 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3iex n GLU 91 Cb 0.17 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3iex n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iex n GLY 92 N 1.48 0.80 3.76 0.62 0.00 -0.45 -5.07 105.19 106.33 3iex n GLY 92 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3iex n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iex s TYR 93 N -2.02 2.48 0.64 1.61 2.02 -1.25 -5.01 117.35 115.81 3iex s TYR 93 Ca 0.00 1.48 -0.08 0.00 -0.37 0.00 0.00 57.07 58.10 3iex s TYR 93 Cb 0.00 -3.55 0.01 0.00 -0.40 0.00 0.00 41.96 38.02 3iex s TYR 93 CO 0.00 -2.24 0.98 -1.54 -1.57 0.00 0.00 175.55 171.19 3iex s SER 94 N -1.36 5.55 0.14 2.29 1.04 -1.26 -4.75 113.70 115.35 3iex s SER 94 Ca 0.73 0.90 -0.19 0.00 0.48 0.00 0.00 55.95 57.86 3iex s SER 94 Cb -0.33 -1.82 0.01 0.00 0.10 0.00 0.00 66.02 63.98 3iex s SER 94 CO 0.37 -1.17 1.69 0.78 0.98 0.00 0.00 173.24 175.89 3iex h ASN 95 N -0.37 -0.28 -0.87 7.02 2.35 -1.95 -1.75 115.58 119.73 3iex h ASN 95 Ca -0.45 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.47 3iex h ASN 95 Cb 1.25 0.17 -0.07 0.00 0.05 0.00 0.00 38.32 39.72 3iex h ASN 95 CO 0.62 -0.10 0.52 0.44 -1.65 0.00 0.00 177.43 177.25 3iex h ASP 96 N -0.02 0.76 -0.32 5.81 3.32 -1.88 0.21 116.42 124.30 3iex h ASP 96 Ca 0.12 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3iex h ASP 96 Cb 0.21 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3iex h ASP 96 CO -0.27 0.43 0.14 0.74 -1.72 0.00 0.00 179.24 178.56 3iex h THR 97 N 0.87 1.17 -0.08 0.35 2.02 -1.69 0.86 112.91 116.40 3iex h THR 97 Ca 0.41 -0.52 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 3iex h THR 97 Cb 0.35 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 3iex h THR 97 CO -0.24 0.18 -0.50 0.58 0.37 0.00 0.00 175.52 175.92 3iex h VAL 98 N 0.37 1.35 0.05 3.16 2.07 -0.80 -3.26 116.25 119.18 3iex h VAL 98 Ca 0.11 -1.73 -0.26 0.00 0.82 0.00 0.00 66.70 65.64 3iex h VAL 98 Cb 0.16 1.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3iex h VAL 98 CO -0.01 0.51 -1.08 0.00 0.02 0.00 0.00 177.57 177.01 3iex h ALA 99 N 1.33 0.20 -0.25 1.67 0.00 -0.32 -3.37 119.26 118.52 3iex h ALA 99 Ca 0.01 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.22 3iex h ALA 99 Cb 0.94 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3iex h ALA 99 CO 0.07 0.79 -0.16 1.25 0.00 0.00 0.00 179.25 181.21 3iex h LEU 100 N 0.24 -0.51 -1.05 0.00 6.46 -0.88 -0.67 115.31 118.90 3iex h LEU 100 Ca -0.12 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.77 3iex h LEU 100 Cb 1.74 0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 41.88 3iex h LEU 100 CO 0.19 -0.19 0.64 -0.65 -0.62 0.00 0.00 178.44 177.81 3iex h PRO 101 N -0.14 1.23 -0.68 5.25 0.11 -1.73 0.70 132.00 136.73 3iex h PRO 101 Ca 0.14 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3iex h PRO 101 Cb 0.35 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 31.15 3iex h PRO 101 CO -0.33 0.81 0.13 0.82 -0.21 0.00 0.00 178.00 179.22 3iex h ILE 102 N 1.27 1.26 -0.12 4.15 1.08 -1.57 0.91 117.51 124.50 3iex h ILE 102 Ca 0.37 -1.01 -0.15 0.00 -0.39 0.00 0.00 64.86 63.68 3iex h ILE 102 Cb -0.07 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 3iex h ILE 102 CO -0.10 0.38 -0.57 0.03 -0.69 0.00 0.00 178.15 177.20 3iex h ARG 103 N 1.05 0.38 -0.24 2.37 3.08 0.43 -0.91 114.38 120.53 3iex h ARG 103 Ca 0.21 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3iex h ARG 103 Cb 0.41 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3iex h ARG 103 CO 0.01 0.84 0.13 0.28 -1.07 0.00 0.00 179.97 180.17 3iex h VAL 104 N 0.29 1.11 -0.35 2.04 2.07 0.64 -1.75 116.25 120.30 3iex h VAL 104 Ca 0.00 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.31 3iex h VAL 104 Cb 1.09 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 3iex h VAL 104 CO 0.10 0.11 -0.20 0.24 0.02 0.00 0.00 177.57 177.83 3iex h MET 105 N 0.28 -0.15 -0.46 1.57 2.86 -0.41 0.31 114.93 118.93 3iex h MET 105 Ca 0.08 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 3iex h MET 105 Cb 0.06 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 31.65 3iex h MET 105 CO -0.01 -0.10 -0.25 -0.22 1.06 0.00 0.00 176.91 177.38 3iex h LYS 106 N -0.15 -0.15 -0.40 1.72 1.63 -0.86 0.23 116.57 118.59 3iex h LYS 106 Ca 0.18 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 3iex h LYS 106 Cb 0.43 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3iex h LYS 106 CO -0.44 -0.10 0.06 -0.07 -3.45 0.00 0.00 179.45 175.44 3iex h LEU 107 N -0.16 0.56 -1.88 5.20 3.38 -0.38 -1.89 115.31 120.14 3iex h LEU 107 Ca 0.21 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iex h LEU 107 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iex h LEU 107 CO -0.55 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 178.50 3iex h LEU 108 N 0.59 0.00 0.00 1.67 3.38 0.15 -3.45 115.31 117.65 3iex h LEU 108 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3iex h LEU 108 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3iex h LEU 108 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3iex n GLY 109 N -0.35 1.28 3.75 0.83 0.00 -0.49 -3.79 105.19 106.42 3iex n GLY 109 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3iex n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iex s VAL 110 N -1.99 2.17 -0.09 1.61 1.01 -0.56 -4.30 120.40 118.25 3iex s VAL 110 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3iex s VAL 110 Cb 0.00 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3iex s VAL 110 CO 0.00 0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.42 3iex n LYS 111 N 2.27 2.17 -4.50 2.72 4.76 0.23 -4.62 118.16 121.19 3iex n LYS 111 Ca 0.08 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.30 3iex n LYS 111 Cb 0.38 -1.21 -0.16 0.00 -1.84 0.00 0.00 35.03 32.19 3iex n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3iex s ILE 112 N -2.20 1.01 -0.25 -0.18 1.01 -0.87 -0.71 121.20 119.01 3iex s ILE 112 Ca -0.06 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.11 3iex s ILE 112 Cb 0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 3iex s ILE 112 CO 0.32 0.33 0.07 -0.22 0.00 0.00 0.00 174.94 175.44 3iex s LEU 113 N 0.70 3.45 -0.21 2.97 2.96 0.27 -0.20 118.68 128.62 3iex s LEU 113 Ca -0.14 -0.20 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3iex s LEU 113 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 3iex s LEU 113 CO 0.03 -0.03 0.02 -0.04 -1.32 0.00 0.00 176.35 175.01 3iex s MET 114 N 1.61 3.65 -0.02 1.98 -1.94 0.13 0.02 119.30 124.74 3iex s MET 114 Ca 0.06 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 3iex s MET 114 Cb -0.15 -3.16 0.00 0.00 2.01 0.00 0.00 34.83 33.54 3iex s MET 114 CO 0.04 -0.03 -0.07 0.54 -0.01 0.00 0.00 175.02 175.49 3iex s VAL 115 N 1.13 0.62 0.26 -6.03 0.11 0.48 -0.56 120.40 116.41 3iex s VAL 115 Ca 0.03 -0.27 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 3iex s VAL 115 Cb -0.14 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3iex s VAL 115 CO 0.02 0.20 0.03 -0.94 -3.33 0.00 0.00 175.10 171.08 3iex s SER 116 N 0.21 4.70 0.25 3.54 1.04 -0.96 -0.86 113.70 121.61 3iex s SER 116 Ca -0.03 -0.58 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 3iex s SER 116 Cb -0.07 -0.93 -0.00 0.00 0.10 0.00 0.00 66.02 65.11 3iex s SER 116 CO 0.00 -0.01 0.50 0.54 0.98 0.00 0.00 173.24 175.25 3iex s ASN 117 N -3.70 -0.11 -0.07 7.02 2.20 -0.16 -2.71 114.94 117.41 3iex s ASN 117 Ca 0.32 -0.90 -0.13 0.00 -0.94 0.00 0.00 52.86 51.20 3iex s ASN 117 Cb -0.07 0.60 -0.05 0.00 -2.00 0.00 0.00 41.25 39.73 3iex s ASN 117 CO 0.21 -1.16 0.33 0.00 -2.94 0.00 0.00 177.10 173.54 3iex s ALA 118 N -4.01 3.69 0.05 3.54 0.00 -1.26 0.01 121.76 123.78 3iex s ALA 118 Ca 0.21 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 3iex s ALA 118 Cb -0.01 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 3iex s ALA 118 CO 0.09 0.37 0.07 0.00 0.00 0.00 0.00 175.76 176.29 3iex s ALA 119 N -0.56 0.12 0.18 0.00 0.00 -0.02 -4.69 121.76 116.79 3iex s ALA 119 Ca 0.20 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3iex s ALA 119 Cb -0.15 0.31 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 3iex s ALA 119 CO 0.09 -0.38 0.91 0.20 0.00 0.00 0.00 175.76 176.58 3iex s GLY 120 N -2.59 3.03 -0.58 0.00 0.00 0.70 -1.57 107.32 106.31 3iex s GLY 120 Ca 0.02 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 45.02 3iex s GLY 120 CO -0.08 1.21 1.06 -0.32 0.00 0.00 0.00 173.10 174.98 3iex s GLY 121 N -0.74 1.26 -0.15 0.20 0.00 0.32 -1.29 107.32 106.91 3iex s GLY 121 Ca 0.42 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 3iex s GLY 121 CO 0.30 2.27 0.46 1.41 0.00 0.00 0.00 173.10 177.54 3iex h LEU 122 N 11.49 0.00 -9.24 0.66 3.38 -1.03 0.10 115.31 120.67 3iex h LEU 122 Ca -0.26 -0.68 -0.67 0.00 0.09 0.00 0.00 57.88 56.37 3iex h LEU 122 Cb 1.06 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.84 3iex h LEU 122 CO 1.14 1.06 0.95 -3.20 0.09 0.00 0.00 178.44 178.49 3iex n ASN 123 N -4.58 2.88 0.05 -0.43 2.85 -0.28 -4.81 115.26 110.94 3iex n ASN 123 Ca -0.15 1.03 0.08 0.00 -0.11 0.00 0.00 54.58 55.43 3iex n ASN 123 Cb 0.46 -1.27 0.35 0.00 1.24 0.00 0.00 39.78 40.56 3iex n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3iex n ARG 124 N 5.61 0.06 0.00 1.20 5.12 -1.26 -1.32 116.66 126.07 3iex n ARG 124 Ca 0.23 0.34 0.13 0.00 -1.93 0.00 0.00 57.85 56.62 3iex n ARG 124 Cb 0.22 -1.63 0.42 0.00 -1.16 0.00 0.00 32.46 30.31 3iex n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3iex n SER 125 N -1.75 0.49 -4.77 0.55 3.41 -1.26 -4.90 113.62 105.39 3iex n SER 125 Ca 0.03 -0.29 -0.38 0.00 -0.26 0.00 0.00 58.87 57.97 3iex n SER 125 Cb 0.17 0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3iex n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iex s LEU 126 N -2.80 4.32 0.23 1.04 1.43 -0.44 -5.06 118.68 117.39 3iex s LEU 126 Ca 0.18 2.07 0.10 0.00 -1.03 0.00 0.00 54.13 55.44 3iex s LEU 126 Cb 0.19 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3iex s LEU 126 CO 0.59 -0.29 -0.08 -0.54 0.23 0.00 0.00 176.35 176.26 3iex s LYS 127 N -2.06 2.09 0.32 1.70 1.02 -1.26 -5.02 119.74 116.53 3iex s LYS 127 Ca 0.52 -1.40 -0.28 0.00 0.02 0.00 0.00 55.97 54.82 3iex s LYS 127 Cb -0.24 -2.10 -0.13 0.00 -0.52 0.00 0.00 37.83 34.84 3iex s LYS 127 CO 0.31 0.39 1.29 -0.11 -0.92 0.00 0.00 175.35 176.31 3iex n LEU 128 N -0.41 3.38 0.00 3.17 7.94 -1.26 -1.73 117.00 128.09 3iex n LEU 128 Ca -0.08 1.20 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3iex n LEU 128 Cb 0.57 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.06 3iex n LEU 128 CO 0.37 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.72 3iex n GLY 129 N 1.00 0.82 3.73 -3.96 0.00 0.12 -5.00 105.19 101.90 3iex n GLY 129 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3iex n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3iex s ASP 130 N -2.79 4.43 -0.19 1.61 1.01 -0.70 -4.75 116.67 115.27 3iex s ASP 130 Ca 0.00 2.24 -0.07 0.00 0.71 0.00 0.00 52.55 55.43 3iex s ASP 130 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3iex s ASP 130 CO 0.00 -2.10 0.07 -0.36 0.21 0.00 0.00 175.17 172.99 3iex s PHE 131 N -2.12 3.22 -0.37 4.23 0.40 0.26 -0.59 117.98 123.01 3iex s PHE 131 Ca 0.72 -0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 57.02 3iex s PHE 131 Cb -0.26 -2.11 0.09 0.00 0.51 0.00 0.00 43.02 41.25 3iex s PHE 131 CO 0.45 0.07 0.13 0.08 0.70 0.00 0.00 175.22 176.64 3iex s VAL 132 N 0.60 3.19 0.15 -0.44 1.01 0.18 0.82 120.40 125.90 3iex s VAL 132 Ca 0.03 -1.80 -0.31 0.00 0.00 0.00 0.00 61.98 59.90 3iex s VAL 132 Cb -0.13 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 3iex s VAL 132 CO 0.01 -0.48 1.61 -0.63 0.00 0.00 0.00 175.10 175.62 3iex s ILE 133 N 1.18 2.65 -0.02 2.22 1.01 0.18 0.21 121.20 128.63 3iex s ILE 133 Ca 0.04 0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 3iex s ILE 133 Cb -0.21 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 3iex s ILE 133 CO -0.03 0.02 1.32 -0.76 0.00 0.00 0.00 174.94 175.49 3iex s LEU 134 N 1.55 4.30 -0.01 2.97 1.02 0.19 -0.60 118.68 128.11 3iex s LEU 134 Ca 0.72 1.99 0.14 0.00 0.02 0.00 0.00 54.13 57.00 3iex s LEU 134 Cb -0.44 -3.56 -0.17 0.00 0.02 0.00 0.00 46.19 42.04 3iex s LEU 134 CO 0.32 -0.66 0.47 2.29 0.02 0.00 0.00 176.35 178.78 3iex n LYS 135 N 5.28 1.69 -3.84 1.70 2.85 -0.37 -4.64 118.16 120.84 3iex n LYS 135 Ca 0.12 -0.05 -0.04 0.00 -1.05 0.00 0.00 58.31 57.29 3iex n LYS 135 Cb 0.45 -1.21 0.01 0.00 -0.65 0.00 0.00 35.03 33.62 3iex n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3iex s ASP 136 N -2.81 -0.05 0.19 -5.58 -1.08 -1.21 -4.48 116.67 101.65 3iex s ASP 136 Ca 0.01 -0.67 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 3iex s ASP 136 Cb 0.10 0.55 -0.01 0.00 -1.46 0.00 0.00 42.92 42.10 3iex s ASP 136 CO 0.56 -1.08 0.31 -1.38 0.52 0.00 0.00 175.17 174.10 3iex s HIS 137 N -2.52 0.51 -0.13 -5.34 -3.43 -1.26 -1.60 115.29 101.52 3iex s HIS 137 Ca 0.18 -0.85 -0.00 0.00 -0.80 0.00 0.00 55.06 53.59 3iex s HIS 137 Cb -0.03 -0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.07 3iex s HIS 137 CO 0.05 -0.78 -0.11 0.42 -2.00 0.00 0.00 174.74 172.33 3iex s ILE 138 N -4.01 1.29 -1.05 -5.38 1.01 0.32 -4.88 121.20 108.51 3iex s ILE 138 Ca 0.22 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3iex s ILE 138 Cb 0.03 -1.27 0.29 0.00 0.01 0.00 0.00 42.46 41.52 3iex s ILE 138 CO 0.04 0.40 1.29 0.00 0.00 0.00 0.00 174.94 176.67 3iex n TYR 139 N 4.86 3.31 -0.18 3.97 -0.00 -1.26 -1.49 117.16 126.36 3iex n TYR 139 Ca -0.15 -3.16 -0.01 0.00 -0.00 0.00 0.00 57.90 54.59 3iex n TYR 139 Cb 0.50 -1.32 0.08 0.00 -0.00 0.00 0.00 39.34 38.59 3iex n TYR 139 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 3iex h LEU 140 N 5.71 -0.29 -1.22 2.98 3.38 -1.96 0.53 115.31 124.44 3iex h LEU 140 Ca 0.19 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.34 3iex h LEU 140 Cb 0.70 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3iex h LEU 140 CO 1.18 -0.11 0.54 -0.65 0.09 0.00 0.00 178.44 179.50 3iex h PRO 141 N 0.10 0.99 -0.70 1.13 0.11 -1.89 -1.91 132.00 129.82 3iex h PRO 141 Ca 0.29 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3iex h PRO 141 Cb 0.45 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 3iex h PRO 141 CO -0.49 0.65 0.19 0.78 -0.21 0.00 0.00 178.00 178.92 3iex h GLY 142 N 1.02 1.17 2.00 -0.55 0.00 -0.25 0.36 103.07 106.82 3iex h GLY 142 Ca 0.33 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3iex h GLY 142 CO -0.10 0.66 -0.33 1.41 0.00 0.00 0.00 176.54 178.18 3iex h LEU 143 N 1.04 0.00 -3.56 3.11 3.38 -0.29 -3.15 115.31 115.84 3iex h LEU 143 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3iex h LEU 143 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3iex h LEU 143 CO -0.00 0.33 0.11 0.61 0.09 0.00 0.00 178.44 179.57 3iex n GLY 144 N -0.31 3.20 1.45 0.83 0.00 -0.74 -4.88 105.19 104.74 3iex n GLY 144 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3iex n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iex n LEU 145 N 0.31 0.00 -1.70 0.99 7.94 -1.10 -4.92 117.00 118.52 3iex n LEU 145 Ca 0.32 0.00 -0.17 0.00 -1.11 0.00 0.00 56.01 55.05 3iex n LEU 145 Cb 1.25 -0.36 0.13 0.00 0.53 0.00 0.00 43.42 44.97 3iex n LEU 145 CO 0.36 0.00 0.75 0.59 -1.11 0.00 0.00 177.39 177.98 3iex n ASN 146 N 0.16 4.24 -4.74 1.96 3.02 0.12 -4.97 115.26 115.05 3iex n ASN 146 Ca 0.00 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.36 3iex n ASN 146 Cb 0.00 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 3iex n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3iex s ASN 147 N -2.61 7.01 0.62 6.41 3.84 -1.23 -4.14 114.94 124.84 3iex s ASN 147 Ca 0.51 2.33 0.39 0.00 0.21 0.00 0.00 52.86 56.30 3iex s ASN 147 Cb 0.43 -2.61 2.11 0.00 -0.55 0.00 0.00 41.25 40.63 3iex s ASN 147 CO 0.01 -0.41 2.18 -0.29 -2.79 0.00 0.00 177.10 175.80 3iex h ILE 148 N 3.62 0.00 -0.01 -5.21 2.10 -1.94 -0.54 117.51 115.53 3iex h ILE 148 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 3iex h ILE 148 Cb 1.21 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3iex h ILE 148 CO 0.74 0.00 -0.22 0.18 -1.08 0.00 0.00 178.15 177.77 3iex n LEU 149 N -2.92 1.40 -4.74 2.19 4.77 -1.26 -4.72 117.00 111.72 3iex n LEU 149 Ca -0.03 -0.43 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 3iex n LEU 149 Cb 0.12 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3iex n LEU 149 CO 0.17 0.25 1.17 0.52 -1.33 0.00 0.00 177.39 178.17 3iex n VAL 150 N -0.26 1.25 0.00 4.08 0.31 -0.21 -4.74 118.33 118.76 3iex n VAL 150 Ca 0.13 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3iex n VAL 150 Cb 0.38 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 3iex n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iex n GLY 151 N 1.77 0.98 3.65 2.92 0.00 -1.26 -5.01 105.19 108.24 3iex n GLY 151 Ca 0.07 -2.30 -0.45 0.00 0.00 0.00 0.00 46.02 43.35 3iex n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iex n PRO 152 N -0.89 1.87 -2.25 1.61 -0.02 -1.26 -4.89 135.00 129.16 3iex n PRO 152 Ca 0.00 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 3iex n PRO 152 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 3iex n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3iex s ASN 153 N 0.20 6.95 -0.79 2.55 2.47 -1.26 -4.95 114.94 120.10 3iex s ASN 153 Ca 0.68 2.47 -0.20 0.00 0.42 0.00 0.00 52.86 56.24 3iex s ASN 153 Cb -0.68 -2.63 0.11 0.00 -1.45 0.00 0.00 41.25 36.60 3iex s ASN 153 CO 0.51 -0.43 0.99 -1.10 -3.72 0.00 0.00 177.10 173.35 3iex s GLN 154 N -1.10 3.36 0.55 0.43 -1.52 -1.26 -4.89 119.66 115.24 3iex s GLN 154 Ca 0.50 -1.45 0.23 0.00 -1.95 0.00 0.00 55.36 52.70 3iex s GLN 154 Cb -0.36 -4.58 1.56 0.00 -0.22 0.00 0.00 33.01 29.40 3iex s GLN 154 CO 0.44 -1.73 2.20 0.93 -0.25 0.00 0.00 175.29 176.89 3iex h GLU 155 N 9.06 0.00 0.00 2.91 5.08 -1.93 0.33 114.58 130.03 3iex h GLU 155 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iex h GLU 155 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3iex h GLU 155 CO 1.11 0.01 -0.02 0.00 -1.00 0.00 0.00 179.01 179.11 3iex h ALA 156 N 1.99 1.02 0.00 3.43 0.00 -2.01 -3.23 119.26 120.46 3iex h ALA 156 Ca -0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.49 3iex h ALA 156 Cb 0.02 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3iex h ALA 156 CO 0.00 0.02 -2.48 1.19 0.00 0.00 0.00 179.25 177.98 3iex n PHE 157 N -3.13 0.03 -3.52 0.00 3.72 0.07 -5.07 117.46 109.55 3iex n PHE 157 Ca -0.01 0.01 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3iex n PHE 157 Cb 0.24 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 3iex n PHE 157 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iex n GLY 158 N 2.10 1.16 3.88 1.37 0.00 -0.95 -3.61 105.19 109.14 3iex n GLY 158 Ca -0.47 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3iex n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iex s THR 159 N -2.48 4.81 0.22 2.61 -1.32 -1.26 -4.15 115.64 114.07 3iex s THR 159 Ca 0.00 0.52 -0.09 0.00 -1.21 0.00 0.00 61.69 60.91 3iex s THR 159 Cb -0.00 -3.80 0.17 0.00 -1.51 0.00 0.00 72.50 67.36 3iex s THR 159 CO 0.00 -0.72 1.87 -0.09 -2.21 0.00 0.00 174.62 173.47 3iex h ARG 160 N 0.67 0.97 -3.14 7.08 9.65 -1.96 -3.33 114.38 124.32 3iex h ARG 160 Ca -0.47 -0.06 -0.63 0.00 -1.10 0.00 0.00 59.98 57.72 3iex h ARG 160 Cb 1.19 -0.22 -0.41 0.00 -1.39 0.00 0.00 29.97 29.14 3iex h ARG 160 CO 0.63 0.64 -0.53 -0.06 2.80 0.00 0.00 179.97 183.45 3iex s PHE 161 N -6.12 3.57 0.42 2.20 0.08 -1.26 -5.00 117.98 111.87 3iex s PHE 161 Ca -0.13 -3.29 -0.25 0.00 0.12 0.00 0.00 56.93 53.37 3iex s PHE 161 Cb 0.16 -2.78 -0.08 0.00 -0.57 0.00 0.00 43.02 39.75 3iex s PHE 161 CO 0.78 -0.58 1.26 -2.14 -0.10 0.00 0.00 175.22 174.44 3iex s PRO 162 N -1.33 3.92 0.34 0.24 0.02 -1.25 -5.01 135.00 131.93 3iex s PRO 162 Ca 0.24 2.05 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 3iex s PRO 162 Cb -0.07 -2.68 -0.09 0.00 0.02 0.00 0.00 34.50 31.68 3iex s PRO 162 CO -0.15 -0.50 0.77 0.00 -0.33 0.00 0.00 177.00 176.79 3iex s ALA 163 N -1.32 3.28 -0.25 -1.55 0.00 -1.26 -4.99 121.76 115.68 3iex s ALA 163 Ca 0.58 0.07 0.12 0.00 0.00 0.00 0.00 51.96 52.73 3iex s ALA 163 Cb -0.36 -2.81 0.50 0.00 0.00 0.00 0.00 23.12 20.45 3iex s ALA 163 CO 0.45 0.27 1.44 1.28 0.00 0.00 0.00 175.76 179.20 3iex n LEU 164 N -0.49 3.97 -4.74 0.00 4.77 -1.26 -4.92 117.00 114.32 3iex n LEU 164 Ca 0.04 -3.49 -0.41 0.00 -0.03 0.00 0.00 56.01 52.12 3iex n LEU 164 Cb 0.53 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3iex n LEU 164 CO 0.41 1.04 0.74 -0.94 -1.33 0.00 0.00 177.39 177.31 3iex s SER 165 N -2.35 7.39 -1.25 -1.43 1.04 -1.26 -2.53 113.70 113.30 3iex s SER 165 Ca 0.43 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.93 3iex s SER 165 Cb 0.38 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3iex s SER 165 CO 0.03 -0.09 0.00 -3.20 0.98 0.00 0.00 173.24 170.96 3iex n ASN 166 N 1.91 -4.13 -0.27 7.02 4.05 -1.26 -4.83 115.26 117.74 3iex n ASN 166 Ca 0.01 0.20 0.06 0.00 0.45 0.00 0.00 54.58 55.30 3iex n ASN 166 Cb 0.46 -3.56 0.20 0.00 1.23 0.00 0.00 39.78 38.11 3iex n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iex h ALA 167 N 0.93 1.13 -2.45 5.20 0.00 -1.82 -3.14 119.26 119.11 3iex h ALA 167 Ca -0.32 0.11 -0.76 0.00 0.00 0.00 0.00 54.91 53.94 3iex h ALA 167 Cb 1.17 0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.79 3iex h ALA 167 CO 0.40 -0.20 0.08 0.71 0.00 0.00 0.00 179.25 180.24 3iex s TYR 168 N -6.00 3.49 -0.41 0.00 1.51 -1.26 -3.99 117.35 110.69 3iex s TYR 168 Ca -0.12 -1.64 -0.42 0.00 -1.01 0.00 0.00 57.07 53.88 3iex s TYR 168 Cb 0.21 -3.88 -0.17 0.00 -0.11 0.00 0.00 41.96 38.02 3iex s TYR 168 CO 0.77 -1.07 1.95 -3.47 -1.11 0.00 0.00 175.55 172.61 3iex n ASP 169 N 4.79 1.57 0.18 2.29 2.03 -0.75 -4.79 116.55 121.87 3iex n ASP 169 Ca 0.05 0.82 0.07 0.00 0.52 0.00 0.00 54.79 56.25 3iex n ASP 169 Cb 0.45 -1.04 0.58 0.00 -0.72 0.00 0.00 41.12 40.39 3iex n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3iex h ARG 170 N 8.56 0.15 -0.22 -0.67 0.11 -1.91 -0.34 114.38 120.06 3iex h ARG 170 Ca -0.30 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.67 3iex h ARG 170 Cb 1.36 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 3iex h ARG 170 CO 1.02 0.10 -0.26 -0.44 0.10 0.00 0.00 179.97 180.49 3iex h ASP 171 N 0.15 0.61 -0.76 0.08 3.45 -1.98 0.95 116.42 118.93 3iex h ASP 171 Ca 0.05 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 57.00 3iex h ASP 171 Cb -0.00 -0.17 -0.04 0.00 -0.56 0.00 0.00 39.33 38.56 3iex h ASP 171 CO -0.01 0.98 0.44 -0.07 -1.57 0.00 0.00 179.24 179.01 3iex h LEU 172 N 0.25 0.92 -0.37 1.55 3.38 -1.75 -0.23 115.31 119.07 3iex h LEU 172 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iex h LEU 172 Cb 0.82 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3iex h LEU 172 CO 0.06 0.73 0.24 0.03 0.09 0.00 0.00 178.44 179.59 3iex h ARG 173 N 1.04 0.49 -0.05 1.13 3.08 -0.92 0.26 114.38 119.41 3iex h ARG 173 Ca 0.27 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.30 3iex h ARG 173 Cb -0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3iex h ARG 173 CO -0.05 0.34 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.91 3iex h LYS 174 N 0.49 -0.08 -0.60 0.04 3.64 -0.54 -0.68 116.57 118.84 3iex h LYS 174 Ca 0.13 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3iex h LYS 174 Cb -0.04 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 3iex h LYS 174 CO -0.03 -0.06 0.35 1.25 -2.27 0.00 0.00 179.45 178.69 3iex h LEU 175 N -0.09 0.54 -0.21 5.20 5.85 -0.75 0.23 115.31 126.08 3iex h LEU 175 Ca 0.04 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3iex h LEU 175 Cb 0.15 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3iex h LEU 175 CO -0.10 0.37 0.03 0.00 -0.34 0.00 0.00 178.44 178.40 3iex h ALA 176 N 1.29 0.21 -0.62 1.25 0.00 -0.09 0.18 119.26 121.48 3iex h ALA 176 Ca 0.25 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3iex h ALA 176 Cb 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3iex h ALA 176 CO -0.13 -0.40 0.25 0.28 0.00 0.00 0.00 179.25 179.25 3iex h VAL 177 N 0.11 1.23 -0.36 0.00 2.07 -0.68 -0.45 116.25 118.17 3iex h VAL 177 Ca 0.10 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3iex h VAL 177 Cb 0.10 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3iex h VAL 177 CO -0.13 0.28 0.11 1.56 0.02 0.00 0.00 177.57 179.41 3iex h GLN 178 N 0.86 0.57 -0.38 1.57 4.20 -0.55 0.96 115.11 122.33 3iex h GLN 178 Ca 0.21 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.81 3iex h GLN 178 Cb 0.19 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3iex h GLN 178 CO -0.02 0.59 0.22 0.28 -0.67 0.00 0.00 178.83 179.23 3iex h VAL 179 N 0.44 1.03 -0.68 -0.54 2.07 -0.37 -0.45 116.25 117.74 3iex h VAL 179 Ca 0.12 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3iex h VAL 179 Cb 0.26 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3iex h VAL 179 CO -0.00 0.08 0.45 0.00 0.02 0.00 0.00 177.57 178.11 3iex h ALA 180 N 1.17 0.87 0.00 1.67 0.00 -0.94 -1.85 119.26 120.19 3iex h ALA 180 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iex h ALA 180 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iex h ALA 180 CO -0.08 0.30 -0.07 0.93 0.00 0.00 0.00 179.25 180.34 3iex h GLU 181 N 0.93 -0.11 0.00 0.00 4.39 0.03 -0.95 114.58 118.87 3iex h GLU 181 Ca 0.25 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3iex h GLU 181 Cb -0.09 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3iex h GLU 181 CO -0.05 -0.08 0.00 1.05 -1.16 0.00 0.00 179.01 178.77 3iex h GLU 182 N -0.12 0.00 -0.64 2.33 4.11 -1.04 -2.87 114.58 116.36 3iex h GLU 182 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3iex h GLU 182 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3iex h GLU 182 CO -0.07 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.10 3iex n ASN 183 N -2.75 4.44 0.00 3.06 4.13 -0.70 -4.94 115.26 118.50 3iex n ASN 183 Ca 0.04 -2.47 0.00 0.00 1.68 0.00 0.00 54.58 53.83 3iex n ASN 183 Cb 0.45 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 3iex n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iex n GLY 184 N 0.95 0.71 0.49 7.41 0.00 -1.03 -4.90 105.19 108.81 3iex n GLY 184 Ca 0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.32 3iex n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3iex n PHE 185 N -2.51 0.00 0.31 1.61 1.16 -0.44 -4.73 117.46 112.86 3iex n PHE 185 Ca 0.00 -0.99 0.19 0.00 -1.87 0.00 0.00 57.45 54.78 3iex n PHE 185 Cb 0.00 -0.17 1.03 0.00 -1.61 0.00 0.00 39.48 38.73 3iex n PHE 185 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3iex h GLY 186 N 0.48 0.00 2.00 4.97 0.00 -1.56 -0.81 103.07 108.15 3iex h GLY 186 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3iex h GLY 186 CO 0.01 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.00 3iex h ASN 187 N 0.00 0.00 0.70 0.19 -1.07 -1.88 -2.68 115.58 110.83 3iex h ASN 187 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 3iex h ASN 187 Cb 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 3iex h ASN 187 CO -0.00 0.00 -0.99 0.18 0.07 0.00 0.00 177.43 176.69 3iex n LEU 188 N -2.66 0.67 -4.65 6.14 4.77 -0.31 -4.91 117.00 116.05 3iex n LEU 188 Ca 0.01 0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.78 3iex n LEU 188 Cb 0.27 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3iex n LEU 188 CO 0.24 -0.06 -0.01 -0.69 -1.33 0.00 0.00 177.39 175.53 3iex s VAL 189 N -3.27 5.25 0.43 4.08 1.01 -1.01 -0.58 120.40 126.31 3iex s VAL 189 Ca 0.02 0.48 0.05 0.00 0.00 0.00 0.00 61.98 62.53 3iex s VAL 189 Cb 0.12 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3iex s VAL 189 CO 0.79 0.26 0.02 -1.00 0.00 0.00 0.00 175.10 175.16 3iex s HIS 190 N 1.41 2.31 0.06 5.22 3.76 0.24 -4.97 115.29 123.32 3iex s HIS 190 Ca 0.14 -0.77 0.07 0.00 -0.15 0.00 0.00 55.06 54.35 3iex s HIS 190 Cb -0.15 -1.68 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 3iex s HIS 190 CO 0.07 0.35 -0.20 -0.65 -0.85 0.00 0.00 174.74 173.46 3iex s GLN 191 N -3.76 1.26 0.20 1.40 -0.21 -1.26 0.50 119.66 117.79 3iex s GLN 191 Ca 0.28 -0.99 -0.21 0.00 0.02 0.00 0.00 55.36 54.46 3iex s GLN 191 Cb 0.08 -1.41 0.08 0.00 1.00 0.00 0.00 33.01 32.75 3iex s GLN 191 CO 0.14 0.35 1.03 0.20 -2.12 0.00 0.00 175.29 174.90 3iex s GLY 192 N -1.39 0.16 -0.16 3.09 0.00 0.24 -4.86 107.32 104.39 3iex s GLY 192 Ca 0.07 -0.41 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 3iex s GLY 192 CO 0.02 2.68 0.34 0.14 0.00 0.00 0.00 173.10 176.28 3iex s VAL 193 N -2.06 5.27 -0.22 1.40 1.01 -1.26 -1.24 120.40 123.30 3iex s VAL 193 Ca 0.23 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.74 3iex s VAL 193 Cb -0.03 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3iex s VAL 193 CO 0.06 0.35 0.13 -0.47 0.00 0.00 0.00 175.10 175.17 3iex s TYR 194 N 0.67 3.29 -0.13 5.22 6.14 -0.63 -0.30 117.35 131.61 3iex s TYR 194 Ca 0.18 0.14 -0.05 0.00 0.64 0.00 0.00 57.07 57.98 3iex s TYR 194 Cb -0.14 -2.21 -0.04 0.00 0.42 0.00 0.00 41.96 40.00 3iex s TYR 194 CO 0.06 0.07 0.03 0.54 0.64 0.00 0.00 175.55 176.88 3iex s VAL 195 N 0.89 4.56 -0.18 3.14 0.11 0.39 -0.52 120.40 128.79 3iex s VAL 195 Ca 0.06 -0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 58.77 3iex s VAL 195 Cb -0.13 -2.98 -0.03 0.00 -1.53 0.00 0.00 36.38 31.71 3iex s VAL 195 CO 0.03 0.55 0.63 -0.32 -3.33 0.00 0.00 175.10 172.65 3iex s MET 196 N -0.34 4.24 -0.32 1.54 1.75 -0.55 -1.43 119.30 124.20 3iex s MET 196 Ca 0.08 0.63 -0.12 0.00 -1.25 0.00 0.00 55.69 55.03 3iex s MET 196 Cb -0.12 -3.55 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 3iex s MET 196 CO 0.02 -0.18 0.22 1.21 -0.65 0.00 0.00 175.02 175.64 3iex s ASN 197 N 1.12 6.04 0.39 1.11 2.47 0.20 -3.85 114.94 122.42 3iex s ASN 197 Ca 0.29 -0.31 0.24 0.00 0.42 0.00 0.00 52.86 53.50 3iex s ASN 197 Cb -0.16 -2.13 1.35 0.00 -1.45 0.00 0.00 41.25 38.86 3iex s ASN 197 CO 0.11 -0.18 1.60 1.23 -3.72 0.00 0.00 177.10 176.14 3iex h GLY 198 N 8.45 1.86 0.00 1.21 0.00 -1.88 -3.32 103.07 109.39 3iex h GLY 198 Ca -0.32 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3iex h GLY 198 CO 0.61 -0.61 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3iex n GLY 199 N -1.37 -1.98 0.92 4.60 0.00 -1.26 -3.90 105.19 102.20 3iex n GLY 199 Ca 0.37 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 45.05 3iex n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iex n PRO 200 N 0.00 2.17 -2.20 1.61 -0.04 -1.26 -4.86 135.00 130.42 3iex n PRO 200 Ca 0.00 -1.80 -0.41 0.00 -0.04 0.00 0.00 63.50 61.25 3iex n PRO 200 Cb 0.00 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 3iex n PRO 200 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iex s TYR 202 N -0.80 1.91 0.42 0.00 1.51 -1.26 -4.96 117.35 114.17 3iex s TYR 202 Ca 0.50 1.72 -0.24 0.00 -1.01 0.00 0.00 57.07 58.04 3iex s TYR 202 Cb -0.38 -3.27 -0.08 0.00 -0.11 0.00 0.00 41.96 38.12 3iex s TYR 202 CO 0.47 -2.52 1.14 -1.21 -1.11 0.00 0.00 175.55 172.32 3iex s GLU 203 N -4.66 3.96 0.83 -0.62 8.01 -1.26 -5.03 118.70 119.93 3iex s GLU 203 Ca 0.66 1.72 -0.11 0.00 0.01 0.00 0.00 54.97 57.25 3iex s GLU 203 Cb -0.22 -2.53 0.09 0.00 -4.31 0.00 0.00 34.13 27.16 3iex s GLU 203 CO 0.56 -0.37 1.09 0.95 0.01 0.00 0.00 175.26 177.51 3iex s THR 204 N -1.53 3.03 0.24 3.63 -4.23 -1.26 -4.82 115.64 110.70 3iex s THR 204 Ca 0.60 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 3iex s THR 204 Cb -0.27 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 70.87 3iex s THR 204 CO 0.34 -0.44 1.87 -0.65 -0.54 0.00 0.00 174.62 175.20 3iex h PRO 205 N -1.26 1.03 -0.70 3.99 0.11 -1.85 0.23 132.00 133.57 3iex h PRO 205 Ca -0.47 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3iex h PRO 205 Cb 1.26 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 3iex h PRO 205 CO 0.56 0.68 0.27 0.00 -0.21 0.00 0.00 178.00 179.30 3iex h ALA 206 N 1.40 1.17 -0.52 -0.75 0.00 -1.87 -0.55 119.26 118.14 3iex h ALA 206 Ca 0.38 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3iex h ALA 206 Cb 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iex h ALA 206 CO -0.15 0.60 -0.03 0.93 0.00 0.00 0.00 179.25 180.59 3iex h GLU 207 N 1.01 0.94 -0.51 0.00 5.08 -1.73 -1.27 114.58 118.11 3iex h GLU 207 Ca 0.23 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 3iex h GLU 207 Cb 0.20 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3iex h GLU 207 CO -0.02 0.98 0.11 0.00 -1.00 0.00 0.00 179.01 179.08 3iex h THR 209 N 0.72 1.09 -0.34 0.00 2.02 -1.01 0.26 112.91 115.63 3iex h THR 209 Ca 0.16 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.16 3iex h THR 209 Cb 0.35 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3iex h THR 209 CO 0.00 0.09 0.22 -0.03 0.37 0.00 0.00 175.52 176.17 3iex h MET 210 N 0.40 0.43 -0.39 6.66 -1.53 -0.86 -0.76 114.93 118.88 3iex h MET 210 Ca 0.11 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 3iex h MET 210 Cb -0.03 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 30.91 3iex h MET 210 CO -0.02 0.28 0.19 -0.07 0.14 0.00 0.00 176.91 177.44 3iex h LEU 211 N 0.44 0.51 -0.22 3.39 3.38 0.01 0.22 115.31 123.04 3iex h LEU 211 Ca 0.13 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3iex h LEU 211 Cb -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3iex h LEU 211 CO -0.04 0.49 -0.06 0.25 0.09 0.00 0.00 178.44 179.17 3iex h LEU 212 N 0.50 -0.21 -1.99 1.67 5.85 -0.34 -1.83 115.31 118.96 3iex h LEU 212 Ca 0.14 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3iex h LEU 212 Cb 0.11 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 3iex h LEU 212 CO -0.02 -0.08 -0.10 0.78 -0.34 0.00 0.00 178.44 178.68 3iex h ASN 213 N -0.00 0.00 0.54 1.25 2.35 -0.66 0.99 115.58 120.05 3iex h ASN 213 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3iex h ASN 213 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3iex h ASN 213 CO -0.23 0.10 0.00 0.23 -1.65 0.00 0.00 177.43 175.88 3iex n MET 214 N -3.72 0.01 -0.22 0.81 2.81 0.02 -4.85 117.12 111.98 3iex n MET 214 Ca -0.02 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 3iex n MET 214 Cb 0.21 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3iex n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iex n GLY 215 N 0.13 1.03 3.82 3.03 0.00 0.34 -5.09 105.19 108.45 3iex n GLY 215 Ca 0.04 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 3iex n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iex n ASP 217 N 1.87 1.04 -3.97 0.00 8.00 0.59 -4.19 116.55 119.89 3iex n ASP 217 Ca -0.12 -0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 3iex n ASP 217 Cb 0.51 0.23 -0.11 0.00 -0.02 0.00 0.00 41.12 41.74 3iex n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3iex s VAL 218 N -2.51 0.12 -0.04 2.53 -7.23 -0.78 -0.41 120.40 112.07 3iex s VAL 218 Ca -0.22 -0.97 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 3iex s VAL 218 Cb 0.08 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.59 3iex s VAL 218 CO 0.72 -0.54 -0.13 0.54 -0.31 0.00 0.00 175.10 175.38 3iex s VAL 219 N -1.73 1.16 0.33 1.32 0.11 -0.41 -0.46 120.40 120.72 3iex s VAL 219 Ca -0.13 -0.55 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 3iex s VAL 219 Cb -0.08 -1.02 -0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3iex s VAL 219 CO -0.02 0.35 0.41 0.61 -3.33 0.00 0.00 175.10 173.12 3iex n GLY 220 N 3.33 2.38 0.11 6.54 0.00 -0.51 -0.22 105.19 116.82 3iex n GLY 220 Ca -0.19 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.24 3iex n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iex n MET 221 N -0.57 1.40 -2.00 1.61 2.81 -1.25 0.63 117.12 119.75 3iex n MET 221 Ca 0.03 -2.57 -0.02 0.00 -1.81 0.00 0.00 57.70 53.33 3iex n MET 221 Cb 0.57 -1.51 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 3iex n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3iex n SER 222 N -1.37 -0.09 0.00 7.83 3.41 -1.26 -4.53 113.62 117.60 3iex n SER 222 Ca 0.16 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.59 3iex n SER 222 Cb 0.65 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.78 3iex n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3iex n THR 223 N -0.05 0.00 -0.19 6.66 -1.04 -1.26 -4.60 114.28 113.79 3iex n THR 223 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3iex n THR 223 Cb 0.05 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.66 3iex n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3iex h ILE 224 N 0.00 0.53 -0.45 12.58 2.04 -1.98 0.17 117.51 130.41 3iex h ILE 224 Ca 0.00 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3iex h ILE 224 Cb 0.00 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.42 3iex h ILE 224 CO 0.00 0.02 0.16 -0.65 0.00 0.00 0.00 178.15 177.68 3iex h PRO 225 N 0.13 0.32 -0.76 2.37 0.11 -1.98 0.32 132.00 132.51 3iex h PRO 225 Ca 0.31 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 3iex h PRO 225 Cb 0.49 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 3iex h PRO 225 CO -0.49 0.21 0.28 0.93 -0.21 0.00 0.00 178.00 178.73 3iex h GLU 226 N 0.33 1.15 -0.73 1.05 3.07 -1.59 -1.35 114.58 116.51 3iex h GLU 226 Ca 0.21 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.79 3iex h GLU 226 Cb 0.20 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 3iex h GLU 226 CO -0.21 0.95 0.21 0.28 -1.40 0.00 0.00 179.01 178.83 3iex h VAL 227 N 1.12 1.26 -0.46 3.13 2.07 0.32 0.39 116.25 124.07 3iex h VAL 227 Ca 0.25 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3iex h VAL 227 Cb 0.24 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3iex h VAL 227 CO -0.02 0.36 0.08 0.58 0.02 0.00 0.00 177.57 178.59 3iex h VAL 228 N 1.09 1.25 -0.62 2.57 2.07 -0.07 0.20 116.25 122.73 3iex h VAL 228 Ca 0.23 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 3iex h VAL 228 Cb 0.33 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3iex h VAL 228 CO -0.00 0.32 0.03 0.40 0.02 0.00 0.00 177.57 178.34 3iex h ILE 229 N 0.63 1.26 -0.08 4.57 1.08 -0.89 0.67 117.51 124.76 3iex h ILE 229 Ca 0.14 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3iex h ILE 229 Cb 0.38 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 3iex h ILE 229 CO 0.01 0.41 0.03 0.00 -0.69 0.00 0.00 178.15 177.91 3iex h ALA 230 N 1.05 0.10 -0.68 1.87 0.00 0.14 -2.27 119.26 119.48 3iex h ALA 230 Ca 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3iex h ALA 230 Cb 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3iex h ALA 230 CO 0.02 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.30 3iex h ARG 231 N -0.03 0.96 -0.74 0.00 2.47 -0.52 0.41 114.38 116.93 3iex h ARG 231 Ca 0.03 -0.13 0.11 0.00 -1.26 0.00 0.00 59.98 58.72 3iex h ARG 231 Cb 0.16 -0.18 -0.08 0.00 -1.65 0.00 0.00 29.97 28.23 3iex h ARG 231 CO -0.00 0.75 0.37 1.25 0.56 0.00 0.00 179.97 182.90 3iex h HIS 232 N 0.93 0.65 -0.49 3.04 2.76 -0.65 0.01 115.15 121.41 3iex h HIS 232 Ca 0.23 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3iex h HIS 232 Cb 0.09 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.87 3iex h HIS 232 CO 0.00 0.21 0.00 0.00 -1.30 0.00 0.00 177.93 176.84 3iex n GLY 234 N 0.86 0.53 3.73 0.00 0.00 -0.01 -4.97 105.19 105.33 3iex n GLY 234 Ca 0.20 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3iex n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iex s ILE 235 N -2.15 4.84 0.37 -0.61 1.01 0.13 -4.98 121.20 119.81 3iex s ILE 235 Ca 0.00 1.69 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 3iex s ILE 235 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3iex s ILE 235 CO 0.00 0.28 1.04 -1.10 0.00 0.00 0.00 174.94 175.17 3iex s GLN 236 N 0.43 4.31 -0.09 2.79 -0.21 0.11 -3.83 119.66 123.17 3iex s GLN 236 Ca 0.42 1.54 0.04 0.00 0.02 0.00 0.00 55.36 57.38 3iex s GLN 236 Cb -0.20 -2.70 -0.00 0.00 1.00 0.00 0.00 33.01 31.11 3iex s GLN 236 CO 0.23 -0.01 -0.24 0.08 -2.12 0.00 0.00 175.29 173.23 3iex s VAL 237 N -1.56 2.12 -0.10 1.09 1.01 -1.26 0.94 120.40 122.65 3iex s VAL 237 Ca 0.54 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3iex s VAL 237 Cb -0.23 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 3iex s VAL 237 CO 0.29 0.56 -0.23 0.12 0.00 0.00 0.00 175.10 175.85 3iex s PHE 238 N 0.20 2.58 -0.01 5.22 2.19 0.10 -1.81 117.98 126.45 3iex s PHE 238 Ca -0.14 -0.99 -0.01 0.00 0.33 0.00 0.00 56.93 56.12 3iex s PHE 238 Cb -0.17 -1.72 0.01 0.00 -1.31 0.00 0.00 43.02 39.83 3iex s PHE 238 CO 0.07 -0.39 0.03 0.00 1.83 0.00 0.00 175.22 176.77 3iex s ALA 239 N 0.32 -0.02 -0.04 11.12 0.00 -1.26 -0.39 121.76 131.49 3iex s ALA 239 Ca -0.18 0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.98 3iex s ALA 239 Cb -0.18 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3iex s ALA 239 CO 0.08 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.78 3iex s VAL 240 N 0.40 0.89 -0.15 0.00 1.01 -0.04 0.54 120.40 123.05 3iex s VAL 240 Ca -0.03 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3iex s VAL 240 Cb -0.05 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3iex s VAL 240 CO -0.01 0.29 0.39 -0.44 0.00 0.00 0.00 175.10 175.33 3iex s SER 241 N 0.50 6.55 -0.10 3.32 0.01 0.13 -0.99 113.70 123.12 3iex s SER 241 Ca -0.09 0.64 -0.24 0.00 1.31 0.00 0.00 55.95 57.57 3iex s SER 241 Cb -0.13 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3iex s SER 241 CO 0.02 0.03 0.75 -0.22 0.41 0.00 0.00 173.24 174.23 3iex s LEU 242 N 0.66 4.27 -0.83 2.44 2.96 0.10 0.50 118.68 128.78 3iex s LEU 242 Ca 0.21 1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 55.06 3iex s LEU 242 Cb -0.14 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.41 3iex s LEU 242 CO 0.07 -0.21 1.59 -0.69 -1.32 0.00 0.00 176.35 175.79 3iex s VAL 243 N 1.26 3.64 -1.62 1.68 1.01 0.25 -0.84 120.40 125.77 3iex s VAL 243 Ca 0.38 -0.13 0.27 0.00 0.00 0.00 0.00 61.98 62.49 3iex s VAL 243 Cb -0.18 -4.56 0.27 0.00 0.00 0.00 0.00 36.38 31.91 3iex s VAL 243 CO 0.17 -1.49 1.61 0.35 0.00 0.00 0.00 175.10 175.74 3iex n THR 244 N 7.02 0.00 -3.61 3.92 -2.24 -0.61 0.13 114.28 118.90 3iex n THR 244 Ca 0.23 -0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.81 3iex n THR 244 Cb 0.50 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 3iex n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3iex s ASN 245 N -2.58 -0.44 -0.19 3.42 4.22 -1.24 -4.30 114.94 113.83 3iex s ASN 245 Ca 0.23 0.69 -0.26 0.00 -2.14 0.00 0.00 52.86 51.38 3iex s ASN 245 Cb 0.19 0.64 -0.01 0.00 1.28 0.00 0.00 41.25 43.36 3iex s ASN 245 CO 0.54 -0.26 0.86 -0.63 -2.04 0.00 0.00 177.10 175.57 3iex s ILE 246 N -0.39 4.84 0.32 0.54 -1.09 -1.26 0.12 121.20 124.27 3iex s ILE 246 Ca 0.00 1.68 -0.29 0.00 -2.23 0.00 0.00 60.65 59.80 3iex s ILE 246 Cb -0.03 -4.16 -0.11 0.00 -1.58 0.00 0.00 42.46 36.58 3iex s ILE 246 CO -0.02 -0.02 1.53 -0.44 -1.23 0.00 0.00 174.94 174.75 3iex s SER 247 N 1.21 6.42 -0.38 3.58 0.01 0.36 -4.78 113.70 120.11 3iex s SER 247 Ca 0.38 2.94 -0.20 0.00 1.31 0.00 0.00 55.95 60.38 3iex s SER 247 Cb -0.16 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.43 3iex s SER 247 CO 0.10 -0.86 0.59 -0.69 0.41 0.00 0.00 173.24 172.80 3iex s VAL 248 N -0.43 4.92 -0.52 3.43 1.01 -1.26 -4.89 120.40 122.66 3iex s VAL 248 Ca 0.59 0.35 0.23 0.00 0.00 0.00 0.00 61.98 63.15 3iex s VAL 248 Cb -0.46 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 31.76 3iex s VAL 248 CO 0.53 -0.36 1.04 0.18 0.00 0.00 0.00 175.10 176.49 3iex n LEU 249 N 6.00 0.62 -4.55 3.92 4.77 -1.26 -3.82 117.00 122.67 3iex n LEU 249 Ca -0.03 0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 3iex n LEU 249 Cb 0.48 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 3iex n LEU 249 CO 0.49 -0.01 0.04 -0.62 -1.33 0.00 0.00 177.39 175.95 3iex s ASP 250 N -4.22 6.19 0.48 -1.43 3.68 -1.26 -4.51 116.67 115.59 3iex s ASP 250 Ca 0.03 -0.14 0.32 0.00 2.13 0.00 0.00 52.55 54.88 3iex s ASP 250 Cb 0.13 -2.20 1.38 0.00 -1.45 0.00 0.00 42.92 40.79 3iex s ASP 250 CO 0.79 -0.31 1.94 1.62 0.13 0.00 0.00 175.17 179.35 3iex h VAL 251 N 5.51 0.00 0.00 1.11 3.04 -1.91 -2.04 116.25 121.96 3iex h VAL 251 Ca -0.30 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 3iex h VAL 251 Cb 1.15 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 3iex h VAL 251 CO 0.68 0.00 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.71 3iex h GLU 252 N 0.00 0.00 -7.02 4.17 4.39 -2.00 -3.47 114.58 110.65 3iex h GLU 252 Ca 0.00 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 59.19 3iex h GLU 252 Cb 0.39 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.11 3iex h GLU 252 CO 0.00 0.00 0.48 0.45 -1.16 0.00 0.00 179.01 178.78 3iex s SER 253 N -4.97 5.98 0.14 1.42 0.15 -0.77 -4.95 113.70 110.71 3iex s SER 253 Ca 0.08 2.32 0.13 0.00 0.70 0.00 0.00 55.95 59.18 3iex s SER 253 Cb 0.10 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 3iex s SER 253 CO 0.65 -1.05 1.14 0.44 1.20 0.00 0.00 173.24 175.63 3iex h ASP 254 N 1.81 0.00 -3.54 5.45 3.32 -1.91 -3.46 116.42 118.08 3iex h ASP 254 Ca -0.50 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 3iex h ASP 254 Cb 1.26 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.91 3iex h ASP 254 CO 0.59 0.72 0.65 0.18 -1.72 0.00 0.00 179.24 179.66 3iex n LEU 255 N -3.15 4.11 -3.74 1.55 4.77 -1.26 -5.01 117.00 114.27 3iex n LEU 255 Ca -0.04 1.21 -0.11 0.00 -0.03 0.00 0.00 56.01 57.04 3iex n LEU 255 Cb 0.86 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 3iex n LEU 255 CO 0.43 -0.17 0.04 -1.59 -1.33 0.00 0.00 177.39 174.78 3iex s LYS 256 N -1.83 0.87 0.69 3.23 -2.85 -1.26 -4.90 119.74 113.69 3iex s LYS 256 Ca 0.56 -0.60 -0.13 0.00 -1.00 0.00 0.00 55.97 54.79 3iex s LYS 256 Cb -0.53 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 35.63 3iex s LYS 256 CO 0.62 -0.29 1.08 -2.14 0.10 0.00 0.00 175.35 174.71 3iex s PRO 257 N -2.99 2.78 -0.20 1.78 0.02 -1.26 -5.04 135.00 130.09 3iex s PRO 257 Ca -0.02 1.19 -0.07 0.00 0.02 0.00 0.00 61.00 62.12 3iex s PRO 257 Cb 0.01 -1.96 0.09 0.00 0.02 0.00 0.00 34.50 32.66 3iex s PRO 257 CO -0.06 -1.24 0.44 1.21 -0.33 0.00 0.00 177.00 177.02 3iex s ASN 258 N -3.14 -0.32 0.27 2.53 3.04 -1.26 -5.05 114.94 111.01 3iex s ASN 258 Ca 0.62 1.03 -0.04 0.00 0.04 0.00 0.00 52.86 54.52 3iex s ASN 258 Cb -0.17 1.41 0.35 0.00 -1.54 0.00 0.00 41.25 41.30 3iex s ASN 258 CO 0.48 -0.23 1.94 -0.74 -3.04 0.00 0.00 177.10 175.50 3iex h HIS 259 N 8.14 1.18 -0.88 0.43 -0.00 -1.98 0.17 115.15 122.21 3iex h HIS 259 Ca -0.16 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.26 3iex h HIS 259 Cb 1.11 -0.40 -0.05 0.00 -0.00 0.00 0.00 27.41 28.08 3iex h HIS 259 CO 0.28 0.72 0.58 0.93 -0.00 0.00 0.00 177.93 180.44 3iex h GLU 260 N 1.25 1.12 -0.20 5.26 4.39 -1.98 0.47 114.58 124.88 3iex h GLU 260 Ca 0.36 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.78 3iex h GLU 260 Cb -0.09 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.31 3iex h GLU 260 CO -0.09 0.74 -0.68 0.93 -1.16 0.00 0.00 179.01 178.76 3iex h GLU 261 N 1.15 0.80 -0.28 2.33 5.08 -1.57 -0.84 114.58 121.25 3iex h GLU 261 Ca 0.33 -0.58 0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3iex h GLU 261 Cb -0.07 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3iex h GLU 261 CO -0.08 1.20 -0.04 0.28 -1.00 0.00 0.00 179.01 179.37 3iex h VAL 262 N 0.58 0.75 -0.73 3.13 2.07 0.06 0.11 116.25 122.22 3iex h VAL 262 Ca -0.02 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3iex h VAL 262 Cb 1.29 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3iex h VAL 262 CO 0.14 0.01 0.47 -0.07 0.02 0.00 0.00 177.57 178.14 3iex h LEU 263 N 0.03 0.85 -0.43 2.57 3.38 0.04 -1.28 115.31 120.47 3iex h LEU 263 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3iex h LEU 263 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3iex h LEU 263 CO -0.26 0.63 0.16 0.00 0.09 0.00 0.00 178.44 179.06 3iex h ALA 264 N 1.26 0.56 -0.74 1.53 0.00 -0.59 -1.17 119.26 120.11 3iex h ALA 264 Ca 0.27 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3iex h ALA 264 Cb -0.09 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3iex h ALA 264 CO -0.06 0.17 0.28 1.15 0.00 0.00 0.00 179.25 180.79 3iex h THR 265 N 0.55 1.26 0.37 0.00 2.02 -0.53 -0.04 112.91 116.53 3iex h THR 265 Ca 0.14 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3iex h THR 265 Cb 0.21 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3iex h THR 265 CO -0.01 0.33 -0.18 1.23 0.37 0.00 0.00 175.52 177.27 3iex h GLY 266 N 1.07 -0.51 1.20 2.16 0.00 -0.99 -2.28 103.07 103.72 3iex h GLY 266 Ca 0.24 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.79 3iex h GLY 266 CO -0.02 -0.19 0.49 0.00 0.00 0.00 0.00 176.54 176.83 3iex h ALA 267 N 0.14 1.53 -0.30 3.60 0.00 -1.07 0.23 119.26 123.38 3iex h ALA 267 Ca -0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3iex h ALA 267 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3iex h ALA 267 CO 0.08 0.41 -0.04 0.37 0.00 0.00 0.00 179.25 180.07 3iex h GLN 268 N 0.94 0.47 -0.00 0.00 5.75 -0.74 -2.49 115.11 119.03 3iex h GLN 268 Ca 0.29 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3iex h GLN 268 Cb -0.01 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.48 3iex h GLN 268 CO -0.08 0.53 -0.63 0.54 -2.65 0.00 0.00 178.83 176.54 3iex n ARG 269 N -4.27 0.35 -0.11 1.69 5.12 -0.58 -4.52 116.66 114.35 3iex n ARG 269 Ca 0.01 -0.26 -0.06 0.00 -1.93 0.00 0.00 57.85 55.61 3iex n ARG 269 Cb 0.26 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.07 3iex n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iex h ALA 270 N 3.27 0.12 -0.64 7.54 0.00 -0.11 0.15 119.26 129.59 3iex h ALA 270 Ca 0.00 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3iex h ALA 270 Cb 0.55 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3iex h ALA 270 CO 0.00 -0.54 0.39 1.49 0.00 0.00 0.00 179.25 180.60 3iex h GLU 271 N -0.10 0.75 -0.39 0.00 4.81 -1.78 0.74 114.58 118.61 3iex h GLU 271 Ca 0.19 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3iex h GLU 271 Cb 0.39 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3iex h GLU 271 CO -0.44 0.50 0.12 1.25 -0.73 0.00 0.00 179.01 179.70 3iex h LEU 272 N 0.77 0.57 -0.41 1.64 5.85 -1.60 0.09 115.31 122.22 3iex h LEU 272 Ca 0.26 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3iex h LEU 272 Cb 0.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3iex h LEU 272 CO -0.11 0.63 0.26 -0.03 -0.34 0.00 0.00 178.44 178.85 3iex h MET 273 N 0.48 0.52 0.20 1.25 4.05 0.28 0.70 114.93 122.42 3iex h MET 273 Ca 0.12 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 3iex h MET 273 Cb 0.26 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 3iex h MET 273 CO -0.00 0.34 -0.29 0.37 0.23 0.00 0.00 176.91 177.56 3iex h GLN 274 N 0.54 -0.53 -0.39 0.39 4.15 0.71 0.27 115.11 120.25 3iex h GLN 274 Ca 0.16 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.69 3iex h GLN 274 Cb -0.04 0.12 -0.08 0.00 0.21 0.00 0.00 27.48 27.69 3iex h GLN 274 CO -0.05 -0.35 -0.13 1.03 -1.93 0.00 0.00 178.83 177.40 3iex h SER 275 N -0.55 -0.47 0.02 -0.69 0.87 -0.65 0.15 113.55 112.23 3iex h SER 275 Ca 0.01 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3iex h SER 275 Cb 0.54 0.29 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 3iex h SER 275 CO -0.12 -0.17 -0.24 -0.25 -0.53 0.00 0.00 176.83 175.52 3iex h TRP 276 N -0.05 -0.64 -0.94 2.24 7.01 -0.53 0.25 115.95 123.29 3iex h TRP 276 Ca 0.19 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.24 3iex h TRP 276 Cb 0.34 0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 3iex h TRP 276 CO -0.38 -0.33 0.61 0.74 -2.79 0.00 0.00 178.44 176.29 3iex h PHE 277 N -0.38 1.15 -0.48 2.65 -1.00 -0.49 0.30 116.94 118.69 3iex h PHE 277 Ca 0.06 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 3iex h PHE 277 Cb 0.46 -0.39 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3iex h PHE 277 CO -0.27 0.68 0.15 0.93 -1.61 0.00 0.00 178.31 178.19 3iex h GLU 278 N 1.21 0.75 0.00 1.51 5.08 -0.08 0.30 114.58 123.35 3iex h GLU 278 Ca 0.36 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3iex h GLU 278 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3iex h GLU 278 CO -0.11 0.71 -0.67 0.87 -1.00 0.00 0.00 179.01 178.81 3iex h LYS 279 N 0.65 0.00 0.04 2.33 1.57 0.01 0.35 116.57 121.51 3iex h LYS 279 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3iex h LYS 279 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3iex h LYS 279 CO -0.00 0.67 -0.02 0.82 -0.57 0.00 0.00 179.45 180.35 3iex h ILE 280 N 0.00 1.11 -0.30 1.86 2.04 -0.20 -2.62 117.51 119.40 3iex h ILE 280 Ca -0.01 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3iex h ILE 280 Cb 1.21 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3iex h ILE 280 CO 0.09 0.12 0.10 0.40 0.00 0.00 0.00 178.15 178.86 3iex h ILE 281 N -0.25 1.13 -0.76 -0.67 2.04 -0.66 -1.04 117.51 117.30 3iex h ILE 281 Ca -0.00 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.51 3iex h ILE 281 Cb 0.23 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3iex h ILE 281 CO 0.01 0.15 0.44 -0.08 0.00 0.00 0.00 178.15 178.67 3iex h GLU 282 N 0.42 0.77 -0.02 2.37 4.81 -0.77 -2.80 114.58 119.36 3iex h GLU 282 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3iex h GLU 282 Cb 0.12 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3iex h GLU 282 CO -0.01 0.51 0.00 1.63 -0.73 0.00 0.00 179.01 180.41 3iex n LYS 283 N -4.73 1.83 -1.85 1.92 5.02 -0.45 -4.91 118.16 114.99 3iex n LYS 283 Ca 0.11 -1.20 -0.41 0.00 -2.02 0.00 0.00 58.31 54.78 3iex n LYS 283 Cb 0.20 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 3iex n LYS 283 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iex s LEU 284 N -1.99 4.35 0.12 -0.35 1.43 -0.85 -4.91 118.68 116.48 3iex s LEU 284 Ca 0.36 2.89 -0.35 0.00 -1.03 0.00 0.00 54.13 55.99 3iex s LEU 284 Cb 0.21 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.63 3iex s LEU 284 CO 0.33 -0.84 1.39 -2.65 0.23 0.00 0.00 176.35 174.81 3iex n PRO 285 N 1.88 1.46 -3.81 1.29 -0.02 -1.26 -4.98 135.00 129.56 3iex n PRO 285 Ca 0.06 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.71 3iex n PRO 285 Cb 0.39 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 3iex n PRO 285 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3iex s LYS 286 N 0.49 3.85 0.00 -0.52 3.01 -1.26 -5.20 119.74 120.11 3iex s LYS 286 Ca 0.81 -0.39 0.30 0.00 -1.01 0.00 0.00 55.97 55.69 3iex s LYS 286 Cb -0.86 -3.37 1.57 0.00 -1.01 0.00 0.00 37.83 34.17 3iex s LYS 286 CO 0.45 -0.01 2.04 -3.47 0.51 0.00 0.00 175.35 174.86