#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1piw s SER 2 N 0.00 -0.41 0.00 6.12 0.01 -1.25 -4.98 113.70 113.19 1piw s SER 2 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1piw s SER 2 Cb 0.00 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1piw s SER 2 CO 0.00 -0.66 0.00 0.00 0.41 0.00 0.00 173.24 172.99 1piw n TYR 3 N -0.16 0.00 -0.04 2.43 4.19 -1.26 -0.42 117.16 121.90 1piw n TYR 3 Ca -0.10 0.00 -0.12 0.00 3.31 0.00 0.00 57.90 60.98 1piw n TYR 3 Cb 0.62 -0.25 -0.07 0.00 0.49 0.00 0.00 39.34 40.13 1piw n TYR 3 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1piw h PRO 4 N 0.00 0.20 -0.05 2.98 0.13 -2.01 -3.35 132.00 129.90 1piw h PRO 4 Ca 0.00 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 1piw h PRO 4 Cb 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1piw h PRO 4 CO 0.00 0.50 -0.03 0.93 -0.23 0.00 0.00 178.00 179.17 1piw h GLU 5 N -0.12 0.11 -1.45 0.86 4.39 -1.16 -3.47 114.58 113.74 1piw h GLU 5 Ca 0.03 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.78 1piw h GLU 5 Cb 0.42 -0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 28.81 1piw h GLU 5 CO 0.01 0.50 0.60 -1.59 -1.16 0.00 0.00 179.01 177.37 1piw s LYS 6 N -4.51 0.43 0.14 2.33 -2.85 -1.08 -4.43 119.74 109.77 1piw s LYS 6 Ca -0.15 0.30 -0.02 0.00 -1.00 0.00 0.00 55.97 55.10 1piw s LYS 6 Cb 0.03 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1piw s LYS 6 CO 0.69 -0.09 0.19 1.19 0.10 0.00 0.00 175.35 177.43 1piw n PHE 7 N 1.43 -3.79 -3.61 1.78 0.99 0.62 -3.88 117.46 110.99 1piw n PHE 7 Ca -0.10 -0.21 -0.13 0.00 -0.00 0.00 0.00 57.45 57.01 1piw n PHE 7 Cb 0.57 -0.14 -0.07 0.00 -1.00 0.00 0.00 39.48 38.84 1piw n PHE 7 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1piw s GLU 8 N -3.24 0.79 0.00 -1.08 2.12 -1.26 0.06 118.70 116.08 1piw s GLU 8 Ca 0.11 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1piw s GLU 8 Cb -0.00 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.77 1piw s GLU 8 CO 0.08 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1piw n GLY 9 N 2.25 4.18 2.51 -1.50 0.00 -0.34 -2.63 105.19 109.66 1piw n GLY 9 Ca -0.14 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1piw n GLY 9 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1piw n ILE 10 N 0.00 3.49 -1.15 -0.61 2.08 0.09 -1.71 119.36 121.54 1piw n ILE 10 Ca 0.00 -3.58 -0.37 0.00 0.56 0.00 0.00 62.75 59.36 1piw n ILE 10 Cb 0.00 -1.19 0.02 0.00 -0.75 0.00 0.00 39.64 37.72 1piw n ILE 10 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1piw n ALA 11 N -0.76 -3.52 -2.19 -1.39 0.00 -1.20 -4.30 120.51 107.14 1piw n ALA 11 Ca 0.57 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1piw n ALA 11 Cb 0.54 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 1piw n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1piw s ILE 12 N -1.93 4.83 0.00 0.00 -1.09 0.14 -0.97 121.20 122.17 1piw s ILE 12 Ca 0.51 0.48 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1piw s ILE 12 Cb -0.42 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.67 1piw s ILE 12 CO 0.67 -0.69 0.00 0.00 -1.23 0.00 0.00 174.94 173.69 1piw n GLN 13 N -1.77 3.05 -3.62 2.79 1.13 -1.26 -2.82 117.38 114.89 1piw n GLN 13 Ca 0.02 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1piw n GLN 13 Cb 0.54 -0.99 -0.07 0.00 0.11 0.00 0.00 30.24 29.84 1piw n GLN 13 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1piw s SER 14 N -2.73 -0.63 0.66 1.08 1.04 -1.26 -4.89 113.70 106.98 1piw s SER 14 Ca 0.00 1.14 0.36 0.00 0.48 0.00 0.00 55.95 57.93 1piw s SER 14 Cb 0.00 1.12 1.97 0.00 0.10 0.00 0.00 66.02 69.21 1piw s SER 14 CO 0.00 -0.26 2.11 0.45 0.98 0.00 0.00 173.24 176.51 1piw h HIS 15 N 4.40 0.00 0.04 5.02 3.86 -1.92 -0.10 115.15 126.46 1piw h HIS 15 Ca -0.28 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 1piw h HIS 15 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1piw h HIS 15 CO 0.36 0.00 -0.02 0.93 0.86 0.00 0.00 177.93 180.06 1piw h GLU 16 N 0.00 -0.05 -0.54 2.45 3.07 -1.89 -3.31 114.58 114.31 1piw h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1piw h GLU 16 Cb 0.38 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1piw h GLU 16 CO 0.00 -0.04 0.00 -3.47 -1.40 0.00 0.00 179.01 174.10 1piw n ASP 17 N -4.65 0.54 0.24 1.42 4.64 -0.92 -4.36 116.55 113.45 1piw n ASP 17 Ca -0.01 -1.60 0.06 0.00 -1.38 0.00 0.00 54.79 51.86 1piw n ASP 17 Cb 0.02 -0.27 0.30 0.00 -1.04 0.00 0.00 41.12 40.13 1piw n ASP 17 CO 0.00 0.00 0.00 4.11 -0.82 0.00 0.00 177.20 180.49 1piw h TRP 18 N 0.14 0.00 -0.28 -0.67 5.08 -1.11 0.45 115.95 119.55 1piw h TRP 18 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1piw h TRP 18 Cb 0.27 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.43 1piw h TRP 18 CO 0.00 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 178.79 1piw n LYS 19 N -2.26 1.92 -3.19 0.12 5.02 -1.26 -4.41 118.16 114.10 1piw n LYS 19 Ca -0.01 -1.40 -0.22 0.00 -2.02 0.00 0.00 58.31 54.66 1piw n LYS 19 Cb 0.58 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 1piw n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1piw n ASN 20 N 0.62 0.96 -4.65 4.39 5.03 0.16 -4.58 115.26 117.20 1piw n ASN 20 Ca 0.16 -2.94 -0.42 0.00 0.87 0.00 0.00 54.58 52.25 1piw n ASN 20 Cb 0.38 -0.63 -0.03 0.00 -1.02 0.00 0.00 39.78 38.48 1piw n ASN 20 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1piw s PRO 21 N -1.94 3.95 -0.05 3.52 0.02 -1.26 -4.79 135.00 134.46 1piw s PRO 21 Ca 0.38 2.32 -0.14 0.00 0.02 0.00 0.00 61.00 63.58 1piw s PRO 21 Cb 0.25 -4.14 -0.05 0.00 0.02 0.00 0.00 34.50 30.58 1piw s PRO 21 CO -0.09 -1.15 0.38 0.15 -0.33 0.00 0.00 177.00 175.95 1piw s LYS 22 N 4.69 3.98 0.11 5.54 -0.14 -0.15 -4.60 119.74 129.17 1piw s LYS 22 Ca 0.85 0.33 -0.33 0.00 -1.36 0.00 0.00 55.97 55.46 1piw s LYS 22 Cb -0.37 -3.27 -0.12 0.00 -1.68 0.00 0.00 37.83 32.39 1piw s LYS 22 CO 0.37 0.57 1.75 1.17 -0.76 0.00 0.00 175.35 178.45 1piw n LYS 23 N 2.31 2.50 -3.83 1.68 4.81 -1.26 -3.26 118.16 121.11 1piw n LYS 23 Ca -0.13 0.91 -0.12 0.00 -0.87 0.00 0.00 58.31 58.09 1piw n LYS 23 Cb 0.52 -2.75 -0.11 0.00 0.02 0.00 0.00 35.03 32.71 1piw n LYS 23 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1piw s THR 24 N 2.18 0.03 0.06 3.15 2.01 -0.70 -4.93 115.64 117.44 1piw s THR 24 Ca 0.82 -0.25 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 1piw s THR 24 Cb -0.58 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1piw s THR 24 CO 0.39 -0.14 0.34 -0.54 -0.69 0.00 0.00 174.62 173.98 1piw s LYS 25 N -0.45 3.65 0.00 4.92 1.02 -1.26 -1.20 119.74 126.43 1piw s LYS 25 Ca -0.05 0.01 -0.15 0.00 0.02 0.00 0.00 55.97 55.80 1piw s LYS 25 Cb -0.04 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 1piw s LYS 25 CO 0.01 0.58 0.31 1.52 -0.92 0.00 0.00 175.35 176.85 1piw s TYR 26 N -1.41 -0.17 0.11 3.18 -0.85 0.11 -4.92 117.35 113.41 1piw s TYR 26 Ca 0.32 0.20 -0.31 0.00 -0.52 0.00 0.00 57.07 56.76 1piw s TYR 26 Cb -0.13 0.10 -0.08 0.00 0.38 0.00 0.00 41.96 42.22 1piw s TYR 26 CO 0.19 -0.42 1.45 -0.51 -1.52 0.00 0.00 175.55 174.74 1piw s ASP 27 N -1.51 6.76 0.83 -0.18 -0.00 -1.26 -0.28 116.67 121.03 1piw s ASP 27 Ca -0.11 2.38 -0.11 0.00 -0.00 0.00 0.00 52.55 54.71 1piw s ASP 27 Cb -0.04 -2.58 0.09 0.00 -0.00 0.00 0.00 42.92 40.39 1piw s ASP 27 CO 0.02 -0.72 1.09 -2.84 -0.00 0.00 0.00 175.17 172.73 1piw s PRO 28 N 1.36 1.75 0.95 8.23 0.02 -1.26 -4.86 135.00 141.19 1piw s PRO 28 Ca 0.66 1.05 -0.12 0.00 0.02 0.00 0.00 61.00 62.62 1piw s PRO 28 Cb -0.38 -1.85 0.16 0.00 0.02 0.00 0.00 34.50 32.46 1piw s PRO 28 CO 0.30 -1.97 1.09 -1.59 -0.33 0.00 0.00 177.00 174.50 1piw s LYS 29 N -4.89 0.78 0.58 5.54 -2.85 -1.26 -4.93 119.74 112.70 1piw s LYS 29 Ca 0.62 0.78 -0.20 0.00 -1.00 0.00 0.00 55.97 56.18 1piw s LYS 29 Cb -0.18 -1.76 -0.05 0.00 -2.06 0.00 0.00 37.83 33.79 1piw s LYS 29 CO 0.57 -2.56 1.11 -2.30 0.10 0.00 0.00 175.35 172.26 1piw n PRO 30 N -4.10 1.15 -3.38 1.78 -0.02 -1.26 -4.92 135.00 124.26 1piw n PRO 30 Ca 0.06 0.44 -0.46 0.00 -2.02 0.00 0.00 63.50 61.52 1piw n PRO 30 Cb 0.55 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 1piw n PRO 30 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1piw s PHE 31 N -1.42 3.67 0.82 6.00 5.36 -1.26 -5.06 117.98 126.09 1piw s PHE 31 Ca 0.75 -2.01 -0.11 0.00 -0.96 0.00 0.00 56.93 54.60 1piw s PHE 31 Cb -0.42 -3.74 0.08 0.00 -0.34 0.00 0.00 43.02 38.60 1piw s PHE 31 CO 0.47 -0.98 1.10 0.71 -1.46 0.00 0.00 175.22 175.06 1piw s TYR 32 N 0.30 2.69 0.36 10.12 1.51 -1.26 -4.92 117.35 126.15 1piw s TYR 32 Ca 0.16 1.18 0.17 0.00 -1.01 0.00 0.00 57.07 57.58 1piw s TYR 32 Cb -0.14 -3.13 1.19 0.00 -0.11 0.00 0.00 41.96 39.77 1piw s TYR 32 CO -0.07 -1.93 1.64 -0.44 -1.11 0.00 0.00 175.55 173.63 1piw h ASP 33 N -1.21 0.44 -0.38 2.29 3.45 -1.97 -1.15 116.42 117.89 1piw h ASP 33 Ca -0.48 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1piw h ASP 33 Cb 1.27 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1piw h ASP 33 CO 0.58 -0.23 0.00 1.41 -1.57 0.00 0.00 179.24 179.42 1piw n HIS 34 N -5.10 0.50 -1.87 4.55 8.25 -1.26 -1.19 115.22 119.10 1piw n HIS 34 Ca 0.34 -0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.18 1piw n HIS 34 Cb 1.10 -0.01 0.11 0.00 1.12 0.00 0.00 29.99 32.32 1piw n HIS 34 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1piw s ASP 35 N -1.19 4.18 0.02 0.41 1.01 -0.43 -0.94 116.67 119.73 1piw s ASP 35 Ca 0.33 0.71 -0.05 0.00 0.71 0.00 0.00 52.55 54.25 1piw s ASP 35 Cb 0.18 -1.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.97 1piw s ASP 35 CO 0.25 -2.10 0.08 -0.63 0.21 0.00 0.00 175.17 172.98 1piw s ILE 36 N -3.60 0.10 -0.15 0.77 1.01 0.11 -1.36 121.20 118.08 1piw s ILE 36 Ca 0.64 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1piw s ILE 36 Cb -0.10 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 1piw s ILE 36 CO 0.50 -0.47 -0.07 -1.81 0.00 0.00 0.00 174.94 173.09 1piw s ASP 37 N -1.60 4.53 -0.13 3.58 1.11 -1.02 -2.04 116.67 121.10 1piw s ASP 37 Ca -0.13 -0.20 0.01 0.00 0.18 0.00 0.00 52.55 52.41 1piw s ASP 37 Cb -0.06 -1.73 0.02 0.00 1.07 0.00 0.00 42.92 42.21 1piw s ASP 37 CO -0.01 0.16 -0.16 -0.63 1.18 0.00 0.00 175.17 175.71 1piw s ILE 38 N 0.42 1.62 -0.87 0.77 1.01 -1.00 0.13 121.20 123.27 1piw s ILE 38 Ca -0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1piw s ILE 38 Cb -0.15 -1.49 0.07 0.00 0.01 0.00 0.00 42.46 40.91 1piw s ILE 38 CO 0.04 0.47 1.24 -0.75 0.00 0.00 0.00 174.94 175.93 1piw s LYS 39 N 1.22 3.42 0.36 2.79 2.20 -0.83 -2.57 119.74 126.33 1piw s LYS 39 Ca -0.01 -1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 54.29 1piw s LYS 39 Cb -0.14 -4.80 -0.13 0.00 -1.51 0.00 0.00 37.83 31.25 1piw s LYS 39 CO -0.07 -2.01 0.80 -0.89 -0.36 0.00 0.00 175.35 172.83 1piw n ILE 40 N 6.25 2.03 -0.47 5.43 5.41 -0.76 -3.25 119.36 133.99 1piw n ILE 40 Ca 0.18 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.43 1piw n ILE 40 Cb 0.49 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 1piw n ILE 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1piw n GLU 41 N 0.56 -0.48 -3.64 0.38 0.28 0.16 -4.69 120.64 113.21 1piw n GLU 41 Ca 0.11 -0.29 -0.04 0.00 -0.16 0.00 0.00 57.16 56.79 1piw n GLU 41 Cb 0.36 -0.77 -0.06 0.00 1.43 0.00 0.00 31.44 32.40 1piw n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1piw s ALA 42 N -0.01 -2.15 -0.01 -1.84 0.00 -0.96 -4.20 121.76 112.59 1piw s ALA 42 Ca 0.00 1.76 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1piw s ALA 42 Cb 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.53 1piw s ALA 42 CO 0.00 -0.17 0.21 0.00 0.00 0.00 0.00 175.76 175.80 1piw s GLY 44 N -1.19 1.95 -0.52 0.00 0.00 -1.05 0.11 107.32 106.61 1piw s GLY 44 Ca -0.13 -0.84 -0.26 0.00 0.00 0.00 0.00 44.72 43.49 1piw s GLY 44 CO 0.02 -0.67 1.01 0.14 0.00 0.00 0.00 173.10 173.61 1piw s VAL 45 N -1.05 4.32 -0.05 1.40 1.01 -0.71 -4.31 120.40 121.00 1piw s VAL 45 Ca 0.18 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 1piw s VAL 45 Cb -0.12 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1piw s VAL 45 CO 0.08 -1.06 0.27 0.00 0.00 0.00 0.00 175.10 174.39 1piw h GLY 47 N 4.72 1.95 1.95 0.00 0.00 -1.99 0.76 103.07 110.45 1piw h GLY 47 Ca -0.53 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.58 1piw h GLY 47 CO 0.61 -0.49 -0.09 1.48 0.00 0.00 0.00 176.54 178.05 1piw h SER 48 N 0.29 0.06 -0.74 0.19 4.64 -1.98 -0.77 113.55 115.24 1piw h SER 48 Ca 0.71 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 62.13 1piw h SER 48 Cb 1.60 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.60 1piw h SER 48 CO -0.63 0.17 0.37 0.44 -0.87 0.00 0.00 176.83 176.30 1piw h ASP 49 N 0.07 0.47 0.60 4.97 3.32 0.15 0.32 116.42 126.31 1piw h ASP 49 Ca 0.02 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1piw h ASP 49 Cb 0.20 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1piw h ASP 49 CO 0.01 0.25 -0.29 0.40 -1.72 0.00 0.00 179.24 177.90 1piw h ILE 50 N 0.60 0.00 -1.00 0.35 1.08 -1.17 -2.78 117.51 114.60 1piw h ILE 50 Ca 0.37 -0.16 0.36 0.00 -0.39 0.00 0.00 64.86 65.04 1piw h ILE 50 Cb 0.43 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 34.01 1piw h ILE 50 CO -0.29 0.00 0.54 0.45 -0.69 0.00 0.00 178.15 178.16 1piw h HIS 51 N -0.97 0.86 0.02 1.37 3.86 -0.66 0.42 115.15 120.04 1piw h HIS 51 Ca -0.08 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1piw h HIS 51 Cb 0.62 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1piw h HIS 51 CO 0.05 -0.31 -0.01 0.00 0.86 0.00 0.00 177.93 178.52 1piw h ALA 53 N 0.39 0.67 0.00 0.00 0.00 -0.90 0.52 119.26 119.93 1piw h ALA 53 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1piw h ALA 53 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1piw h ALA 53 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.22 1piw h ALA 54 N 1.26 1.00 0.00 0.00 0.00 -1.04 -3.38 119.26 117.10 1piw h ALA 54 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1piw h ALA 54 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1piw h ALA 54 CO -0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1piw n GLY 55 N -0.75 0.64 0.00 0.00 0.00 0.17 -4.86 105.19 100.40 1piw n GLY 55 Ca -0.00 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.43 1piw n GLY 55 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1piw n HIS 56 N -2.63 0.00 0.09 1.61 8.25 0.64 -1.51 115.22 121.68 1piw n HIS 56 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1piw n HIS 56 Cb 0.02 -0.38 0.14 0.00 1.12 0.00 0.00 29.99 30.90 1piw n HIS 56 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1piw n TRP 57 N -1.38 0.37 0.00 4.41 8.01 -1.25 -5.01 117.44 122.59 1piw n TRP 57 Ca 0.06 -0.31 0.00 0.00 -1.31 0.00 0.00 57.50 55.95 1piw n TRP 57 Cb 0.16 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1piw n TRP 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1piw n GLY 58 N 0.81 1.48 3.67 6.99 0.00 -0.57 -4.95 105.19 112.62 1piw n GLY 58 Ca 0.12 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1piw n GLY 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1piw s ASN 59 N 0.00 6.79 0.11 1.61 2.47 -1.26 -4.67 114.94 119.99 1piw s ASN 59 Ca 0.00 2.10 0.02 0.00 0.42 0.00 0.00 52.86 55.40 1piw s ASN 59 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 1piw s ASN 59 CO 0.00 -0.81 0.19 -0.04 -3.72 0.00 0.00 177.10 172.72 1piw s MET 60 N 3.23 3.22 -0.01 0.43 -1.94 -1.26 -5.06 119.30 117.90 1piw s MET 60 Ca 0.66 -0.63 -0.30 0.00 -1.71 0.00 0.00 55.69 53.72 1piw s MET 60 Cb -0.31 -2.87 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 1piw s MET 60 CO 0.26 0.55 1.46 0.21 -0.01 0.00 0.00 175.02 177.48 1piw s LYS 61 N -2.82 4.25 0.30 2.03 2.20 -1.26 -5.00 119.74 119.44 1piw s LYS 61 Ca 0.33 2.02 -0.01 0.00 -0.36 0.00 0.00 55.97 57.94 1piw s LYS 61 Cb -0.12 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1piw s LYS 61 CO 0.26 -0.64 0.52 1.41 -0.36 0.00 0.00 175.35 176.54 1piw s MET 62 N 2.75 3.53 0.56 4.03 -2.45 -1.26 -4.60 119.30 121.87 1piw s MET 62 Ca 0.66 -0.25 -0.10 0.00 -1.25 0.00 0.00 55.69 54.76 1piw s MET 62 Cb -0.32 -2.69 0.13 0.00 1.25 0.00 0.00 34.83 33.20 1piw s MET 62 CO 0.27 0.21 0.68 -0.35 1.05 0.00 0.00 175.02 176.88 1piw n PRO 63 N -1.35 -1.10 -3.65 4.11 -0.04 -1.26 -5.16 135.00 126.55 1piw n PRO 63 Ca -0.04 -1.06 -0.04 0.00 -0.04 0.00 0.00 63.50 62.32 1piw n PRO 63 Cb 0.55 -0.78 -0.06 0.00 -0.04 0.00 0.00 33.50 33.17 1piw n PRO 63 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1piw s LEU 64 N 0.00 -0.97 -0.47 1.53 2.96 -1.13 -4.93 118.68 115.67 1piw s LEU 64 Ca 0.40 1.40 -0.20 0.00 -0.22 0.00 0.00 54.13 55.51 1piw s LEU 64 Cb -0.02 2.03 0.04 0.00 0.50 0.00 0.00 46.19 48.74 1piw s LEU 64 CO 0.29 -0.22 0.62 -0.69 -1.32 0.00 0.00 176.35 175.02 1piw s VAL 65 N 2.68 4.86 0.00 1.68 1.01 -1.26 -0.69 120.40 128.69 1piw s VAL 65 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1piw s VAL 65 Cb -0.11 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1piw s VAL 65 CO -0.17 -0.68 0.00 1.33 0.00 0.00 0.00 175.10 175.58 1piw n VAL 66 N 5.72 0.00 -0.40 2.92 0.24 -1.26 -4.38 118.33 121.17 1piw n VAL 66 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1piw n VAL 66 Cb 0.47 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 1piw n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1piw n GLY 67 N 5.00 -2.65 2.71 7.63 0.00 -1.26 -0.52 105.19 116.10 1piw n GLY 67 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 1piw n GLY 67 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1piw n HIS 68 N 0.61 1.28 -2.64 1.61 1.44 -1.26 -3.71 115.22 112.55 1piw n HIS 68 Ca 0.00 -2.53 -0.16 0.00 -2.01 0.00 0.00 57.72 53.02 1piw n HIS 68 Cb 0.00 -0.31 0.02 0.00 0.12 0.00 0.00 29.99 29.81 1piw n HIS 68 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1piw n GLU 69 N -0.30 1.90 -2.21 -1.40 1.02 -1.25 -2.28 120.64 116.13 1piw n GLU 69 Ca 0.10 -3.70 -0.42 0.00 -0.02 0.00 0.00 57.16 53.12 1piw n GLU 69 Cb 0.81 -1.61 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1piw n GLU 69 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1piw s ILE 70 N -3.87 3.38 -0.05 -3.67 1.01 0.10 -2.53 121.20 115.58 1piw s ILE 70 Ca 0.35 1.01 0.04 0.00 0.00 0.00 0.00 60.65 62.05 1piw s ILE 70 Cb 0.43 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.25 1piw s ILE 70 CO -0.04 0.09 -0.19 -0.69 0.00 0.00 0.00 174.94 174.11 1piw s VAL 71 N 0.95 1.59 0.00 2.92 1.01 0.90 0.15 120.40 127.92 1piw s VAL 71 Ca 0.63 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1piw s VAL 71 Cb -0.36 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1piw s VAL 71 CO 0.31 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1piw n GLY 72 N 3.21 0.11 3.89 4.51 0.00 0.02 0.41 105.19 117.35 1piw n GLY 72 Ca -0.19 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1piw n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1piw s LYS 73 N -2.00 3.65 0.23 1.61 -0.14 -1.20 -0.75 119.74 121.13 1piw s LYS 73 Ca 0.00 -0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.29 1piw s LYS 73 Cb 0.00 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 1piw s LYS 73 CO 0.00 0.42 1.15 0.08 -0.76 0.00 0.00 175.35 176.24 1piw s VAL 74 N -1.72 3.54 -0.07 3.17 1.01 -0.75 -1.97 120.40 123.62 1piw s VAL 74 Ca 0.42 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.71 1piw s VAL 74 Cb -0.12 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1piw s VAL 74 CO 0.24 0.28 -0.20 0.52 0.00 0.00 0.00 175.10 175.94 1piw n VAL 75 N 1.87 1.30 -4.14 2.92 0.31 0.12 0.09 118.33 120.79 1piw n VAL 75 Ca 0.02 0.25 -0.14 0.00 -0.01 0.00 0.00 64.34 64.46 1piw n VAL 75 Cb 0.45 -2.00 -0.11 0.00 -0.91 0.00 0.00 33.84 31.27 1piw n VAL 75 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1piw s LYS 76 N -2.44 0.75 -0.12 5.55 2.20 -1.24 -4.79 119.74 119.65 1piw s LYS 76 Ca -0.16 -1.06 0.03 0.00 -0.36 0.00 0.00 55.97 54.41 1piw s LYS 76 Cb 0.02 -0.43 -0.00 0.00 -1.51 0.00 0.00 37.83 35.91 1piw s LYS 76 CO 0.24 0.06 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.57 1piw s LEU 77 N -2.25 2.23 0.97 5.43 1.43 -1.26 -2.44 118.68 122.79 1piw s LEU 77 Ca 0.02 -0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 1piw s LEU 77 Cb -0.04 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1piw s LEU 77 CO -0.01 0.14 0.05 0.61 0.23 0.00 0.00 176.35 177.38 1piw n GLY 78 N 3.64 -2.69 0.37 -3.19 0.00 -0.47 -4.79 105.19 98.06 1piw n GLY 78 Ca -0.19 -0.75 0.19 0.00 0.00 0.00 0.00 46.02 45.27 1piw n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1piw h PRO 79 N -1.45 0.00 -0.15 1.61 0.13 -1.77 -2.10 132.00 128.27 1piw h PRO 79 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1piw h PRO 79 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1piw h PRO 79 CO 0.32 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.72 1piw n LYS 80 N -3.69 1.76 -1.52 0.86 5.02 -0.33 -5.03 118.16 115.23 1piw n LYS 80 Ca 0.05 -1.51 -0.52 0.00 -2.02 0.00 0.00 58.31 54.31 1piw n LYS 80 Cb 0.51 -1.17 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 1piw n LYS 80 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1piw n SER 81 N 0.30 0.42 -1.78 4.39 2.88 -0.79 -4.84 113.62 114.20 1piw n SER 81 Ca 0.07 1.14 -0.01 0.00 -1.33 0.00 0.00 58.87 58.74 1piw n SER 81 Cb 0.30 -1.08 0.02 0.00 -0.75 0.00 0.00 64.21 62.70 1piw n SER 81 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1piw n ASN 82 N 1.87 0.05 0.09 -3.46 2.04 -1.26 -4.90 115.26 109.70 1piw n ASN 82 Ca 0.17 -2.04 -0.20 0.00 -0.44 0.00 0.00 54.58 52.07 1piw n ASN 82 Cb 0.20 0.02 -0.15 0.00 -2.53 0.00 0.00 39.78 37.33 1piw n ASN 82 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1piw h SER 83 N 0.98 0.58 0.00 0.53 4.64 -1.97 -3.48 113.55 114.83 1piw h SER 83 Ca -0.36 -0.73 0.00 0.00 -0.47 0.00 0.00 61.79 60.23 1piw h SER 83 Cb 1.53 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1piw h SER 83 CO -0.06 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 178.11 1piw n GLY 84 N 1.71 1.29 3.70 -0.77 0.00 -1.26 -5.09 105.19 104.78 1piw n GLY 84 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1piw n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1piw s LEU 85 N 0.00 4.32 0.28 0.99 1.43 -1.26 -5.05 118.68 119.38 1piw s LEU 85 Ca 0.00 1.52 -0.04 0.00 -1.03 0.00 0.00 54.13 54.58 1piw s LEU 85 Cb 0.00 -3.47 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 1piw s LEU 85 CO 0.00 -0.30 0.53 -0.54 0.23 0.00 0.00 176.35 176.27 1piw s LYS 86 N 1.32 3.61 0.88 1.70 -0.14 -1.26 -5.03 119.74 120.81 1piw s LYS 86 Ca 0.48 -0.06 -0.11 0.00 -1.36 0.00 0.00 55.97 54.92 1piw s LYS 86 Cb -0.19 -2.68 0.12 0.00 -1.68 0.00 0.00 37.83 33.40 1piw s LYS 86 CO 0.23 0.24 1.10 0.08 -0.76 0.00 0.00 175.35 176.23 1piw s VAL 87 N -2.06 2.73 0.00 3.17 1.01 -1.26 -2.73 120.40 121.26 1piw s VAL 87 Ca 0.43 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1piw s VAL 87 Cb -0.11 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1piw s VAL 87 CO 0.30 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.70 1piw n GLY 88 N -0.80 1.25 3.76 4.51 0.00 0.11 -4.82 105.19 109.20 1piw n GLY 88 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1piw n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1piw s GLN 89 N 0.00 3.77 -0.36 1.61 0.74 -1.10 -4.43 119.66 119.89 1piw s GLN 89 Ca 0.00 2.10 -0.26 0.00 0.05 0.00 0.00 55.36 57.24 1piw s GLN 89 Cb 0.00 -2.59 0.01 0.00 1.10 0.00 0.00 33.01 31.53 1piw s GLN 89 CO 0.00 -0.63 0.96 0.50 -0.55 0.00 0.00 175.29 175.56 1piw s ARG 90 N -2.46 3.89 0.32 1.67 3.52 -1.26 -1.80 118.95 122.83 1piw s ARG 90 Ca 0.61 0.68 0.03 0.00 -0.13 0.00 0.00 55.73 56.92 1piw s ARG 90 Cb -0.37 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 1piw s ARG 90 CO 0.46 -0.94 0.09 0.14 -0.81 0.00 0.00 175.30 174.24 1piw s VAL 91 N 3.52 0.81 0.07 7.11 -7.23 0.07 -1.92 120.40 122.82 1piw s VAL 91 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1piw s VAL 91 Cb -0.12 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 1piw s VAL 91 CO 0.18 0.00 -0.05 -0.83 -0.31 0.00 0.00 175.10 174.09 1piw s GLY 92 N -3.44 0.59 -0.02 2.32 0.00 0.28 -0.80 107.32 106.26 1piw s GLY 92 Ca 0.35 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1piw s GLY 92 CO 0.15 -1.32 0.05 0.14 0.00 0.00 0.00 173.10 172.11 1piw s VAL 93 N -3.56 0.01 0.00 1.40 1.01 0.12 -1.01 120.40 118.37 1piw s VAL 93 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1piw s VAL 93 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.34 1piw s VAL 93 CO -0.07 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.62 1piw n GLY 94 N 2.98 4.43 0.24 4.51 0.00 -1.25 0.03 105.19 116.12 1piw n GLY 94 Ca -0.13 -1.66 0.10 0.00 0.00 0.00 0.00 46.02 44.33 1piw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw h ALA 95 N 0.53 1.43 -3.34 4.61 0.00 -1.65 -3.42 119.26 117.42 1piw h ALA 95 Ca 0.00 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 1piw h ALA 95 Cb 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.64 1piw h ALA 95 CO 0.00 0.20 -0.65 -1.14 0.00 0.00 0.00 179.25 177.66 1piw s GLN 96 N -4.34 2.64 -0.00 0.00 0.74 -1.26 -1.46 119.66 115.98 1piw s GLN 96 Ca -0.03 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1piw s GLN 96 Cb 0.14 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.66 1piw s GLN 96 CO 0.63 0.57 0.63 1.55 -0.55 0.00 0.00 175.29 178.12 1piw n VAL 97 N 0.78 0.04 -3.64 1.34 3.14 -1.01 -4.78 118.33 114.20 1piw n VAL 97 Ca -0.12 -0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.19 1piw n VAL 97 Cb 0.52 0.86 -0.05 0.00 -1.06 0.00 0.00 33.84 34.11 1piw n VAL 97 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1piw s PHE 98 N -0.05 -0.06 -0.17 1.45 5.36 -1.22 -4.15 117.98 119.14 1piw s PHE 98 Ca 0.00 0.12 -0.28 0.00 -0.96 0.00 0.00 56.93 55.82 1piw s PHE 98 Cb 0.00 0.49 0.07 0.00 -0.34 0.00 0.00 43.02 43.24 1piw s PHE 98 CO 0.00 -0.05 0.72 0.45 -1.46 0.00 0.00 175.22 174.89 1piw s SER 99 N -0.66 -0.69 0.64 6.13 0.15 -1.26 -2.69 113.70 115.32 1piw s SER 99 Ca 0.08 1.07 0.27 0.00 0.70 0.00 0.00 55.95 58.07 1piw s SER 99 Cb -0.02 0.99 1.46 0.00 -1.71 0.00 0.00 66.02 66.74 1piw s SER 99 CO -0.10 -0.41 1.82 0.00 1.20 0.00 0.00 173.24 175.74 1piw n LEU 101 N -2.80 0.22 -0.00 0.00 4.77 -1.26 -4.60 117.00 113.33 1piw n LEU 101 Ca -0.02 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 1piw n LEU 101 Cb 0.42 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1piw n LEU 101 CO 0.12 -0.44 -0.31 -0.62 -1.33 0.00 0.00 177.39 174.81 1piw n GLU 102 N 0.05 2.63 -2.43 3.23 -0.58 -1.26 -4.71 120.64 117.56 1piw n GLU 102 Ca -0.02 -0.01 -0.27 0.00 -0.42 0.00 0.00 57.16 56.45 1piw n GLU 102 Cb 0.23 -0.85 0.02 0.00 -0.57 0.00 0.00 31.44 30.28 1piw n GLU 102 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1piw h ASP 104 N -0.09 -0.35 -0.67 0.00 3.45 -1.98 0.12 116.42 116.91 1piw h ASP 104 Ca -0.46 0.10 0.19 0.00 0.43 0.00 0.00 57.03 57.30 1piw h ASP 104 Cb 1.24 0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 40.20 1piw h ASP 104 CO 0.61 -0.13 0.56 0.03 -1.57 0.00 0.00 179.24 178.74 1piw h ARG 105 N -0.03 0.00 0.00 3.56 3.08 -1.94 -1.39 114.38 117.66 1piw h ARG 105 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1piw h ARG 105 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1piw h ARG 105 CO -0.34 0.00 -0.16 0.00 -1.07 0.00 0.00 179.97 178.41 1piw n LYS 107 N -4.69 0.00 -0.22 0.00 4.76 -0.57 -0.07 118.16 117.37 1piw n LYS 107 Ca -0.06 0.21 0.08 0.00 -2.87 0.00 0.00 58.31 55.68 1piw n LYS 107 Cb 0.22 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.08 1piw n LYS 107 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1piw n ASN 108 N -1.21 2.96 -3.28 4.39 2.85 -0.56 -5.01 115.26 115.40 1piw n ASN 108 Ca 0.00 -2.89 -0.16 0.00 -0.11 0.00 0.00 54.58 51.43 1piw n ASN 108 Cb 0.00 -0.42 0.06 0.00 1.24 0.00 0.00 39.78 40.66 1piw n ASN 108 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1piw n ASP 109 N -0.85 -6.61 -1.14 1.20 8.00 0.89 -4.95 116.55 113.09 1piw n ASP 109 Ca 0.16 -0.69 0.02 0.00 0.71 0.00 0.00 54.79 54.99 1piw n ASP 109 Cb 0.69 -5.01 0.01 0.00 -0.02 0.00 0.00 41.12 36.79 1piw n ASP 109 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1piw n ASN 110 N -3.03 0.51 -0.33 -2.24 3.02 0.21 -4.67 115.26 108.72 1piw n ASN 110 Ca -0.07 -1.96 0.24 0.00 -0.03 0.00 0.00 54.58 52.76 1piw n ASN 110 Cb 0.61 -0.21 0.45 0.00 -0.61 0.00 0.00 39.78 40.02 1piw n ASN 110 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1piw h GLU 111 N 0.59 0.01 -0.44 3.52 9.09 -1.83 0.53 114.58 126.06 1piw h GLU 111 Ca -0.19 -0.00 0.13 0.00 0.05 0.00 0.00 59.36 59.35 1piw h GLU 111 Cb 1.68 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.76 1piw h GLU 111 CO 0.03 0.01 0.32 -1.00 0.05 0.00 0.00 179.01 178.42 1piw h PRO 112 N 0.01 0.00 -0.64 1.06 0.13 -1.89 0.50 132.00 131.17 1piw h PRO 112 Ca 0.73 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.86 1piw h PRO 112 Cb 1.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.89 1piw h PRO 112 CO -0.84 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 177.59 1piw n TYR 113 N -4.39 1.36 -2.42 1.56 4.02 0.18 -4.93 117.16 112.53 1piw n TYR 113 Ca 0.08 -0.53 -0.36 0.00 -0.01 0.00 0.00 57.90 57.07 1piw n TYR 113 Cb 0.52 -0.25 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1piw n TYR 113 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1piw h THR 115 N 1.94 0.70 0.00 0.00 2.02 -1.93 -1.95 112.91 113.69 1piw h THR 115 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1piw h THR 115 Cb 1.23 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1piw h THR 115 CO 0.61 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.79 1piw n LYS 116 N -5.25 0.89 -1.56 6.66 4.76 -1.26 -4.92 118.16 117.48 1piw n LYS 116 Ca -0.08 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.93 1piw n LYS 116 Cb 0.17 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1piw n LYS 116 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1piw n PHE 117 N -0.04 0.82 -3.75 2.13 7.35 -0.74 -4.50 117.46 118.73 1piw n PHE 117 Ca 0.00 0.64 -0.16 0.00 -0.76 0.00 0.00 57.45 57.17 1piw n PHE 117 Cb 0.18 -2.18 -0.16 0.00 0.35 0.00 0.00 39.48 37.67 1piw n PHE 117 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1piw s VAL 118 N -1.22 -0.07 0.77 -2.13 1.01 -1.10 -5.00 120.40 112.66 1piw s VAL 118 Ca 0.61 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 1piw s VAL 118 Cb -0.63 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1piw s VAL 118 CO 0.58 0.11 1.13 0.28 0.00 0.00 0.00 175.10 177.20 1piw s THR 119 N 1.32 2.20 0.37 3.92 -1.32 -1.26 -2.41 115.64 118.45 1piw s THR 119 Ca -0.06 -0.03 0.18 0.00 -1.21 0.00 0.00 61.69 60.56 1piw s THR 119 Cb -0.13 -3.04 0.17 0.00 -1.51 0.00 0.00 72.50 67.99 1piw s THR 119 CO -0.04 -0.05 1.91 0.74 -2.21 0.00 0.00 174.62 174.97 1piw h THR 120 N -0.90 1.00 -3.68 5.08 2.02 -1.53 -3.42 112.91 111.48 1piw h THR 120 Ca -0.46 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 65.62 1piw h THR 120 Cb 1.32 1.57 -0.16 0.00 -1.74 0.00 0.00 68.15 69.14 1piw h THR 120 CO 0.64 0.27 -0.40 -0.72 0.37 0.00 0.00 175.52 175.68 1piw s TYR 121 N -4.18 0.11 -1.69 3.16 1.13 -1.26 -3.69 117.35 110.93 1piw s TYR 121 Ca -0.03 -0.42 0.00 0.00 -1.41 0.00 0.00 57.07 55.22 1piw s TYR 121 Cb 0.14 -0.06 0.00 0.00 -1.10 0.00 0.00 41.96 40.94 1piw s TYR 121 CO 0.68 -0.46 0.00 -1.13 -2.51 0.00 0.00 175.55 172.13 1piw n SER 122 N 0.43 -5.62 -3.91 -0.18 3.41 -0.75 -4.89 113.62 102.11 1piw n SER 122 Ca -0.17 0.02 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 1piw n SER 122 Cb 0.60 -4.69 -0.15 0.00 -0.26 0.00 0.00 64.21 59.70 1piw n SER 122 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1piw s GLN 123 N -5.02 0.50 0.28 4.33 0.74 -1.26 -4.92 119.66 114.31 1piw s GLN 123 Ca 0.00 -0.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 1piw s GLN 123 Cb 0.00 -0.53 -0.10 0.00 1.10 0.00 0.00 33.01 33.49 1piw s GLN 123 CO 0.00 0.02 1.12 -2.14 -0.55 0.00 0.00 175.29 173.74 1piw s PRO 124 N 0.36 4.60 0.95 1.67 0.02 -1.26 -0.34 135.00 141.00 1piw s PRO 124 Ca -0.04 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 62.67 1piw s PRO 124 Cb -0.08 -3.18 0.19 0.00 0.02 0.00 0.00 34.50 31.45 1piw s PRO 124 CO -0.00 0.15 1.31 0.71 -0.33 0.00 0.00 177.00 178.84 1piw s TYR 125 N -1.08 1.70 0.41 6.54 1.51 0.11 -4.81 117.35 121.72 1piw s TYR 125 Ca 0.45 0.36 0.15 0.00 -1.01 0.00 0.00 57.07 57.03 1piw s TYR 125 Cb -0.33 -4.05 1.02 0.00 -0.11 0.00 0.00 41.96 38.49 1piw s TYR 125 CO 0.42 -2.60 1.89 0.93 -1.11 0.00 0.00 175.55 175.08 1piw h GLU 126 N -1.61 0.45 -0.00 -0.62 4.39 -1.96 0.35 114.58 115.58 1piw h GLU 126 Ca -0.45 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1piw h GLU 126 Cb 1.24 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1piw h GLU 126 CO 0.41 0.30 -0.11 -0.40 -1.16 0.00 0.00 179.01 178.05 1piw n ASP 127 N -4.51 0.25 0.00 1.42 5.68 -1.26 -4.95 116.55 113.18 1piw n ASP 127 Ca 0.17 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1piw n ASP 127 Cb 0.58 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1piw n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1piw n GLY 128 N 1.37 2.40 3.69 6.12 0.00 0.11 -5.05 105.19 113.83 1piw n GLY 128 Ca 0.11 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1piw n GLY 128 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1piw n TYR 129 N 0.00 2.56 -2.76 1.61 9.36 -1.26 -4.27 117.16 122.40 1piw n TYR 129 Ca 0.00 0.06 -0.42 0.00 3.32 0.00 0.00 57.90 60.85 1piw n TYR 129 Cb 0.00 -2.65 -0.03 0.00 -0.63 0.00 0.00 39.34 36.03 1piw n TYR 129 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1piw s VAL 130 N 1.65 4.70 -0.15 2.97 1.01 -1.26 -0.72 120.40 128.60 1piw s VAL 130 Ca 0.79 1.70 -0.41 0.00 0.00 0.00 0.00 61.98 64.06 1piw s VAL 130 Cb -0.56 -4.26 -0.18 0.00 0.00 0.00 0.00 36.38 31.38 1piw s VAL 130 CO 0.36 -0.24 1.40 -1.54 0.00 0.00 0.00 175.10 175.09 1piw n SER 131 N 6.35 1.20 0.00 3.32 3.41 0.54 -4.80 113.62 123.64 1piw n SER 131 Ca 0.09 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1piw n SER 131 Cb 0.47 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1piw n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1piw n GLN 132 N 3.15 0.00 -1.41 4.33 1.13 -1.24 -1.80 117.38 121.53 1piw n GLN 132 Ca 0.23 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.48 1piw n GLN 132 Cb 0.09 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.38 1piw n GLN 132 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1piw n GLY 133 N 5.00 -2.18 0.00 1.08 0.00 -1.26 -4.45 105.19 103.37 1piw n GLY 133 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1piw n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1piw n GLY 134 N -4.21 1.32 2.45 -0.02 0.00 -1.24 -4.27 105.19 99.21 1piw n GLY 134 Ca -0.01 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 1piw n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1piw n TYR 135 N 0.00 2.57 -4.05 1.61 4.01 0.32 -4.88 117.16 116.74 1piw n TYR 135 Ca 0.00 -2.88 -0.11 0.00 -0.16 0.00 0.00 57.90 54.75 1piw n TYR 135 Cb 0.00 -1.98 -0.06 0.00 -0.31 0.00 0.00 39.34 37.00 1piw n TYR 135 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1piw s ALA 136 N -0.43 0.17 0.32 -0.72 0.00 -1.26 -0.73 121.76 119.12 1piw s ALA 136 Ca 0.57 -1.13 0.32 0.00 0.00 0.00 0.00 51.96 51.71 1piw s ALA 136 Cb 0.18 1.13 1.51 0.00 0.00 0.00 0.00 23.12 25.95 1piw s ALA 136 CO -0.09 -0.80 2.06 -2.95 0.00 0.00 0.00 175.76 173.98 1piw h ASN 137 N 2.28 0.00 -2.13 0.00 -0.00 -1.84 -3.40 115.58 110.49 1piw h ASN 137 Ca -0.28 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 55.95 1piw h ASN 137 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.55 1piw h ASN 137 CO 0.39 0.08 -0.03 -1.22 -0.00 0.00 0.00 177.43 176.65 1piw n TYR 138 N -3.35 -0.71 -3.65 4.14 4.02 -1.26 -1.83 117.16 114.52 1piw n TYR 138 Ca -0.01 -0.57 -0.02 0.00 -0.01 0.00 0.00 57.90 57.29 1piw n TYR 138 Cb 0.26 0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 39.65 1piw n TYR 138 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1piw s VAL 139 N -2.54 0.00 -0.48 -0.72 0.11 -1.06 -4.23 120.40 111.47 1piw s VAL 139 Ca 0.07 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.03 1piw s VAL 139 Cb -0.00 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.97 1piw s VAL 139 CO 0.05 0.00 0.35 -0.60 -3.33 0.00 0.00 175.10 171.57 1piw s ARG 140 N 0.60 2.47 0.10 1.54 3.52 -1.26 -2.37 118.95 123.54 1piw s ARG 140 Ca -0.01 -1.82 0.07 0.00 -0.13 0.00 0.00 55.73 53.84 1piw s ARG 140 Cb -0.04 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1piw s ARG 140 CO -0.12 -1.19 -0.10 0.08 -0.81 0.00 0.00 175.30 173.16 1piw s VAL 141 N 1.25 3.35 0.19 7.11 1.01 -0.86 -4.88 120.40 127.56 1piw s VAL 141 Ca 0.07 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 60.49 1piw s VAL 141 Cb -0.25 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 1piw s VAL 141 CO -0.01 0.13 1.46 -2.28 0.00 0.00 0.00 175.10 174.40 1piw s HIS 142 N -1.19 3.11 0.30 5.22 2.46 -1.26 0.08 115.29 124.00 1piw s HIS 142 Ca 0.21 0.90 0.05 0.00 0.47 0.00 0.00 55.06 56.69 1piw s HIS 142 Cb -0.11 -3.80 0.78 0.00 -0.13 0.00 0.00 32.58 29.32 1piw s HIS 142 CO 0.13 -2.76 1.68 1.05 -2.47 0.00 0.00 174.74 172.36 1piw h GLU 143 N 6.03 0.32 -1.17 2.88 4.11 -1.30 0.64 114.58 126.09 1piw h GLU 143 Ca -0.44 -0.02 0.35 0.00 0.07 0.00 0.00 59.36 59.33 1piw h GLU 143 Cb 1.21 -0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.27 1piw h GLU 143 CO 0.84 0.21 0.75 1.25 0.07 0.00 0.00 179.01 182.13 1piw h HIS 144 N 0.33 0.61 -1.00 2.06 2.76 -1.90 0.23 115.15 118.24 1piw h HIS 144 Ca 0.58 0.02 -0.64 0.00 -2.20 0.00 0.00 60.37 58.13 1piw h HIS 144 Cb 1.17 -0.16 -0.27 0.00 1.55 0.00 0.00 27.41 29.70 1piw h HIS 144 CO -0.16 -0.09 0.83 1.19 -1.30 0.00 0.00 177.93 178.40 1piw n PHE 145 N -4.69 3.02 -3.90 5.26 3.01 0.22 -4.85 117.46 115.53 1piw n PHE 145 Ca 0.32 -2.87 -0.29 0.00 1.01 0.00 0.00 57.45 55.61 1piw n PHE 145 Cb 1.16 -1.39 -0.16 0.00 -0.01 0.00 0.00 39.48 39.08 1piw n PHE 145 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1piw s VAL 146 N -4.54 1.22 -0.10 -4.37 1.01 0.79 -4.64 120.40 109.78 1piw s VAL 146 Ca 0.60 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1piw s VAL 146 Cb 0.48 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1piw s VAL 146 CO -0.03 0.03 0.03 0.68 0.00 0.00 0.00 175.10 175.81 1piw s VAL 147 N 1.56 4.54 -0.56 2.92 -7.23 -0.18 -4.89 120.40 116.56 1piw s VAL 147 Ca -0.02 -0.16 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 1piw s VAL 147 Cb -0.17 -2.93 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1piw s VAL 147 CO -0.07 0.60 1.56 -2.16 -0.31 0.00 0.00 175.10 174.72 1piw s PRO 148 N -0.83 3.12 0.29 4.82 0.04 -1.26 0.10 135.00 141.28 1piw s PRO 148 Ca 0.13 0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.41 1piw s PRO 148 Cb -0.12 -4.20 -0.11 0.00 0.04 0.00 0.00 34.50 30.11 1piw s PRO 148 CO 0.03 -2.15 1.59 0.42 0.04 0.00 0.00 177.00 176.93 1piw s ILE 149 N 6.89 2.09 0.22 0.56 1.01 -0.81 -4.91 121.20 126.25 1piw s ILE 149 Ca 0.58 0.07 -0.31 0.00 0.00 0.00 0.00 60.65 60.99 1piw s ILE 149 Cb -0.12 -3.05 -0.11 0.00 0.01 0.00 0.00 42.46 39.19 1piw s ILE 149 CO 0.24 0.01 1.65 -2.84 0.00 0.00 0.00 174.94 174.00 1piw s PRO 150 N -0.50 4.15 0.38 2.79 0.02 -1.26 -4.81 135.00 135.78 1piw s PRO 150 Ca 0.63 2.54 0.20 0.00 0.02 0.00 0.00 61.00 64.39 1piw s PRO 150 Cb -0.48 -3.08 1.18 0.00 0.02 0.00 0.00 34.50 32.15 1piw s PRO 150 CO 0.48 -0.68 1.69 1.49 -0.33 0.00 0.00 177.00 179.64 1piw h GLU 151 N 6.20 0.28 -0.85 5.54 4.81 -1.95 -0.89 114.58 127.71 1piw h GLU 151 Ca -0.44 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 58.65 1piw h GLU 151 Cb 1.21 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 1piw h GLU 151 CO 0.90 0.18 0.15 0.27 -0.73 0.00 0.00 179.01 179.79 1piw n ASN 152 N -4.82 3.69 -4.08 1.04 6.94 -1.26 -4.79 115.26 111.99 1piw n ASN 152 Ca 0.31 -2.72 -0.33 0.00 -0.02 0.00 0.00 54.58 51.83 1piw n ASN 152 Cb 1.07 -0.65 -0.14 0.00 -2.36 0.00 0.00 39.78 37.70 1piw n ASN 152 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1piw s ILE 153 N -2.02 2.49 -0.33 1.53 1.01 -0.34 -5.01 121.20 118.52 1piw s ILE 153 Ca 0.33 -1.89 -0.39 0.00 0.00 0.00 0.00 60.65 58.70 1piw s ILE 153 Cb 0.26 -2.62 -0.14 0.00 0.01 0.00 0.00 42.46 39.97 1piw s ILE 153 CO 0.08 -0.32 1.97 -0.81 0.00 0.00 0.00 174.94 175.86 1piw n PRO 154 N 4.42 0.98 0.19 2.79 -0.04 -1.26 -4.56 135.00 137.52 1piw n PRO 154 Ca -0.06 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1piw n PRO 154 Cb 0.42 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 31.80 1piw n PRO 154 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1piw h SER 155 N 9.41 0.00 0.10 3.54 0.02 -1.96 1.14 113.55 125.79 1piw h SER 155 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1piw h SER 155 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1piw h SER 155 CO 1.00 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 176.54 1piw n HIS 156 N -1.93 0.00 -0.01 3.45 1.44 -1.26 -3.65 115.22 113.26 1piw n HIS 156 Ca -0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 1piw n HIS 156 Cb 0.71 -0.05 -0.04 0.00 0.12 0.00 0.00 29.99 30.73 1piw n HIS 156 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1piw n LEU 157 N -0.12 0.00 -0.03 2.39 4.32 0.39 -4.67 117.00 119.28 1piw n LEU 157 Ca 0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.00 1piw n LEU 157 Cb 0.38 0.04 -0.10 0.00 -1.62 0.00 0.00 43.42 42.11 1piw n LEU 157 CO 0.21 0.04 0.54 0.00 -1.22 0.00 0.00 177.39 176.96 1piw h ALA 158 N 0.36 0.05 -0.76 -1.18 0.00 -1.56 -3.37 119.26 112.81 1piw h ALA 158 Ca -0.04 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 54.65 1piw h ALA 158 Cb 0.57 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1piw h ALA 158 CO 0.00 -0.07 -0.34 0.00 0.00 0.00 0.00 179.25 178.85 1piw h ALA 159 N 0.40 0.09 -0.98 0.00 0.00 -1.83 -2.03 119.26 114.92 1piw h ALA 159 Ca -0.00 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.28 1piw h ALA 159 Cb 0.72 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 19.27 1piw h ALA 159 CO 0.02 -0.63 0.62 -1.35 0.00 0.00 0.00 179.25 177.91 1piw h PRO 160 N -0.09 0.82 -0.11 0.00 0.11 -1.82 0.94 132.00 131.85 1piw h PRO 160 Ca 0.29 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.38 1piw h PRO 160 Cb 0.57 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.49 1piw h PRO 160 CO -0.81 0.54 0.09 -0.07 -0.21 0.00 0.00 178.00 177.54 1piw h LEU 161 N 0.84 0.00 -0.81 2.35 3.38 -1.55 -2.56 115.31 116.96 1piw h LEU 161 Ca 0.52 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.65 1piw h LEU 161 Cb 0.70 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 1piw h LEU 161 CO -0.29 0.00 0.35 -0.07 0.09 0.00 0.00 178.44 178.52 1piw h LEU 162 N 0.00 0.33 0.00 1.67 3.38 -0.83 -0.11 115.31 119.76 1piw h LEU 162 Ca 0.05 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1piw h LEU 162 Cb 0.22 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1piw h LEU 162 CO -0.00 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1piw n GLY 164 N 4.20 -1.19 0.03 0.00 0.00 -1.05 -0.71 105.19 106.48 1piw n GLY 164 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1piw n GLY 164 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1piw h GLY 165 N 0.00 -2.30 -0.78 -0.02 0.00 -1.54 0.03 103.07 98.46 1piw h GLY 165 Ca 0.00 1.02 0.37 0.00 0.00 0.00 0.00 47.33 48.72 1piw h GLY 165 CO -0.01 -0.85 0.63 -2.00 0.00 0.00 0.00 176.54 174.31 1piw h LEU 166 N -0.01 0.40 -1.32 3.11 5.85 0.11 0.17 115.31 123.62 1piw h LEU 166 Ca 0.01 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1piw h LEU 166 Cb 0.04 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1piw h LEU 166 CO -0.06 -0.22 0.48 0.74 -0.34 0.00 0.00 178.44 179.03 1piw h THR 167 N 0.18 1.12 0.00 1.05 2.02 0.11 -2.02 112.91 115.38 1piw h THR 167 Ca 0.78 -0.31 -0.29 0.00 0.77 0.00 0.00 66.41 67.36 1piw h THR 167 Cb 2.04 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1piw h THR 167 CO -0.60 0.16 -1.71 0.52 0.37 0.00 0.00 175.52 174.26 1piw n VAL 168 N -4.45 1.62 0.12 3.16 0.31 0.44 -4.17 118.33 115.36 1piw n VAL 168 Ca 0.09 -0.79 -0.13 0.00 -0.01 0.00 0.00 64.34 63.50 1piw n VAL 168 Cb 0.11 -1.06 -0.06 0.00 -0.91 0.00 0.00 33.84 31.91 1piw n VAL 168 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1piw h TYR 169 N 0.00 -0.53 0.08 3.52 3.20 -0.64 -2.64 116.97 119.97 1piw h TYR 169 Ca -0.29 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.60 1piw h TYR 169 Cb 2.01 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 40.46 1piw h TYR 169 CO 0.00 -0.29 -0.43 1.03 -1.64 0.00 0.00 178.16 176.83 1piw h SER 170 N -0.40 -1.29 -1.04 -2.11 0.87 -1.56 0.38 113.55 108.39 1piw h SER 170 Ca 0.02 0.14 0.30 0.00 -1.23 0.00 0.00 61.79 61.02 1piw h SER 170 Cb 0.40 0.48 -0.13 0.00 -0.44 0.00 0.00 62.40 62.71 1piw h SER 170 CO -0.09 -0.45 0.63 -0.65 -0.53 0.00 0.00 176.83 175.74 1piw h PRO 171 N -0.60 0.38 0.24 2.24 0.11 -1.72 0.48 132.00 133.14 1piw h PRO 171 Ca -0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1piw h PRO 171 Cb 0.61 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1piw h PRO 171 CO -0.24 0.25 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.62 1piw h LEU 172 N 0.39 -0.27 -0.80 2.35 3.38 -0.89 -1.33 115.31 118.14 1piw h LEU 172 Ca 0.69 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 1piw h LEU 172 Cb 1.60 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1piw h LEU 172 CO -0.48 0.16 -0.23 -0.37 0.09 0.00 0.00 178.44 177.61 1piw h VAL 173 N -0.77 1.27 0.00 1.22 -1.51 0.19 0.11 116.25 116.76 1piw h VAL 173 Ca -0.03 -1.30 -0.05 0.00 -1.23 0.00 0.00 66.70 64.09 1piw h VAL 173 Cb 0.50 1.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.92 1piw h VAL 173 CO 0.05 0.43 -0.23 0.03 -1.23 0.00 0.00 177.57 176.62 1piw h ARG 174 N 0.57 0.00 -0.43 5.19 3.08 -0.16 -3.04 114.38 119.59 1piw h ARG 174 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1piw h ARG 174 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1piw h ARG 174 CO 0.05 0.23 0.03 0.09 -1.07 0.00 0.00 179.97 179.29 1piw n ASN 175 N -3.43 4.63 -2.74 7.04 3.02 -0.50 -4.98 115.26 118.30 1piw n ASN 175 Ca -0.00 -3.04 -0.12 0.00 -0.03 0.00 0.00 54.58 51.39 1piw n ASN 175 Cb 0.41 -0.62 0.06 0.00 -0.61 0.00 0.00 39.78 39.02 1piw n ASN 175 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1piw n GLY 176 N -0.08 -0.25 3.67 7.41 0.00 -0.93 -4.93 105.19 110.09 1piw n GLY 176 Ca 0.26 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 1piw n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw n GLY 178 N 3.41 -1.24 3.61 0.00 0.00 -1.26 -4.80 105.19 104.90 1piw n GLY 178 Ca 0.06 -0.88 -0.51 0.00 0.00 0.00 0.00 46.02 44.69 1piw n GLY 178 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1piw n PRO 179 N 0.00 1.34 0.00 1.61 -0.02 0.25 -2.22 135.00 135.96 1piw n PRO 179 Ca 0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1piw n PRO 179 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1piw n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1piw n GLY 180 N 2.78 1.93 2.82 -1.23 0.00 -1.26 -4.99 105.19 105.24 1piw n GLY 180 Ca 0.19 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1piw n GLY 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1piw n LYS 181 N 0.00 0.00 -3.65 1.61 4.76 -0.94 -4.61 118.16 115.33 1piw n LYS 181 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 1piw n LYS 181 Cb 0.00 -0.84 -0.09 0.00 -1.84 0.00 0.00 35.03 32.27 1piw n LYS 181 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1piw s LYS 182 N -0.84 2.61 0.38 1.97 1.02 -1.26 -2.69 119.74 120.92 1piw s LYS 182 Ca 0.52 -2.31 -0.24 0.00 0.02 0.00 0.00 55.97 53.96 1piw s LYS 182 Cb -0.70 -3.83 -0.10 0.00 -0.52 0.00 0.00 37.83 32.68 1piw s LYS 182 CO 0.49 -1.18 0.97 0.08 -0.92 0.00 0.00 175.35 174.79 1piw s VAL 183 N 0.35 4.15 -0.07 3.17 1.01 -0.42 -2.53 120.40 126.05 1piw s VAL 183 Ca 0.14 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 63.72 1piw s VAL 183 Cb -0.20 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1piw s VAL 183 CO -0.04 -0.04 -0.02 -0.83 0.00 0.00 0.00 175.10 174.18 1piw s GLY 184 N -1.79 0.50 -0.19 4.51 0.00 -0.32 -1.49 107.32 108.54 1piw s GLY 184 Ca 0.56 -0.15 -0.08 0.00 0.00 0.00 0.00 44.72 45.05 1piw s GLY 184 CO 0.21 0.93 0.07 -0.42 0.00 0.00 0.00 173.10 173.89 1piw s ILE 185 N 1.68 4.76 -0.27 0.90 -1.09 -0.34 -1.51 121.20 125.33 1piw s ILE 185 Ca 0.01 -0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1piw s ILE 185 Cb -0.13 -3.16 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 1piw s ILE 185 CO -0.04 0.44 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.41 1piw s VAL 186 N 0.56 3.27 0.00 2.92 1.01 -0.91 0.11 120.40 127.36 1piw s VAL 186 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1piw s VAL 186 Cb -0.13 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1piw s VAL 186 CO 0.01 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1piw n GLY 187 N 4.73 0.52 2.19 4.51 0.00 -0.79 0.50 105.19 116.85 1piw n GLY 187 Ca -0.15 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1piw n GLY 187 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1piw n LEU 188 N 0.00 6.58 0.00 0.99 7.94 -1.26 -3.62 117.00 127.63 1piw n LEU 188 Ca 0.00 -3.59 0.00 0.00 -1.11 0.00 0.00 56.01 51.31 1piw n LEU 188 Cb 0.00 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.53 1piw n LEU 188 CO 0.00 1.72 0.00 0.61 -1.11 0.00 0.00 177.39 178.61 1piw n GLY 189 N 3.06 1.54 0.51 -3.96 0.00 -1.26 -4.68 105.19 100.40 1piw n GLY 189 Ca 0.57 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 1piw n GLY 189 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1piw h GLY 190 N 0.00 -1.32 1.01 -0.02 0.00 -1.87 0.18 103.07 101.05 1piw h GLY 190 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 1piw h GLY 190 CO 0.00 -0.47 0.41 -2.22 0.00 0.00 0.00 176.54 174.26 1piw h ILE 191 N -1.24 1.23 -0.22 2.60 5.03 -1.90 -2.33 117.51 120.69 1piw h ILE 191 Ca -0.12 -0.60 0.00 0.00 -0.12 0.00 0.00 64.86 64.02 1piw h ILE 191 Cb 0.97 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.97 1piw h ILE 191 CO 0.17 0.26 0.14 1.23 -0.68 0.00 0.00 178.15 179.27 1piw h GLY 192 N 1.06 0.30 0.49 5.37 0.00 -1.57 -2.01 103.07 106.72 1piw h GLY 192 Ca 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1piw h GLY 192 CO -0.04 0.11 -0.11 1.76 0.00 0.00 0.00 176.54 178.27 1piw h SER 193 N 0.29 0.15 0.02 0.19 0.02 -0.08 -2.23 113.55 111.92 1piw h SER 193 Ca 0.08 -0.63 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1piw h SER 193 Cb -0.02 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1piw h SER 193 CO -0.02 0.75 -0.01 0.24 -1.14 0.00 0.00 176.83 176.65 1piw h MET 194 N -0.45 0.00 0.13 3.45 2.86 -1.37 -2.15 114.93 117.41 1piw h MET 194 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1piw h MET 194 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1piw h MET 194 CO 0.02 0.01 -0.06 0.78 1.06 0.00 0.00 176.91 178.72 1piw h GLY 195 N 0.06 -0.19 0.35 8.32 0.00 -1.19 -0.71 103.07 109.71 1piw h GLY 195 Ca -0.00 0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.50 1piw h GLY 195 CO 0.00 -0.07 0.25 -0.84 0.00 0.00 0.00 176.54 175.89 1piw h THR 196 N -0.53 0.76 0.56 4.70 2.02 -0.77 0.28 112.91 119.92 1piw h THR 196 Ca -0.02 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1piw h THR 196 Cb 0.42 0.28 0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1piw h THR 196 CO 0.03 0.08 -0.27 -0.07 0.37 0.00 0.00 175.52 175.66 1piw h LEU 197 N 0.44 -0.63 -1.19 2.58 3.38 -1.44 -1.63 115.31 116.82 1piw h LEU 197 Ca 0.33 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.54 1piw h LEU 197 Cb 0.42 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1piw h LEU 197 CO -0.32 -0.40 0.62 0.40 0.09 0.00 0.00 178.44 178.83 1piw h ILE 198 N -0.85 0.63 0.43 1.22 2.04 -0.95 1.00 117.51 121.03 1piw h ILE 198 Ca -0.08 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1piw h ILE 198 Cb 0.57 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1piw h ILE 198 CO 0.13 0.11 -0.21 -1.28 0.00 0.00 0.00 178.15 176.89 1piw h SER 199 N 0.58 -0.49 -0.19 1.72 0.87 -0.36 0.57 113.55 116.25 1piw h SER 199 Ca 0.57 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1piw h SER 199 Cb 1.15 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1piw h SER 199 CO -0.34 -0.35 0.11 0.11 -0.53 0.00 0.00 176.83 175.84 1piw h LYS 200 N -0.59 0.26 -0.74 2.24 1.79 -0.00 -2.36 116.57 117.16 1piw h LYS 200 Ca -0.06 -0.02 0.17 0.00 -2.18 0.00 0.00 60.65 58.55 1piw h LYS 200 Cb 0.45 -0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 30.92 1piw h LYS 200 CO 0.10 0.22 0.01 0.00 -1.08 0.00 0.00 179.45 178.69 1piw h ALA 201 N 1.02 0.77 0.00 3.86 0.00 0.14 0.61 119.26 125.66 1piw h ALA 201 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1piw h ALA 201 Cb 0.03 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1piw h ALA 201 CO -0.01 -0.42 0.00 -1.33 0.00 0.00 0.00 179.25 177.49 1piw n MET 202 N -5.34 0.11 -0.89 0.00 2.81 0.20 -4.87 117.12 109.14 1piw n MET 202 Ca 0.13 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1piw n MET 202 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1piw n MET 202 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1piw n GLY 203 N 0.08 1.23 3.26 3.03 0.00 0.21 -4.03 105.19 108.97 1piw n GLY 203 Ca 0.06 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 1piw n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw s ALA 204 N -2.12 2.09 -0.01 4.61 0.00 -0.99 -0.58 121.76 124.76 1piw s ALA 204 Ca 0.00 -1.02 -0.33 0.00 0.00 0.00 0.00 51.96 50.61 1piw s ALA 204 Cb 0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 1piw s ALA 204 CO 0.00 0.42 1.87 -1.91 0.00 0.00 0.00 175.76 176.14 1piw n GLU 205 N 2.88 2.38 -4.87 0.00 2.13 -1.09 -4.15 120.64 117.93 1piw n GLU 205 Ca -0.17 0.87 -0.33 0.00 0.66 0.00 0.00 57.16 58.19 1piw n GLU 205 Cb 0.52 -2.74 -0.13 0.00 0.27 0.00 0.00 31.44 29.36 1piw n GLU 205 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1piw s THR 206 N 3.69 3.07 -0.03 6.31 2.01 -1.26 -1.30 115.64 128.12 1piw s THR 206 Ca 0.89 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1piw s THR 206 Cb -0.62 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1piw s THR 206 CO 0.47 0.58 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.45 1piw s TYR 207 N -0.54 2.45 -0.17 4.92 1.51 -0.56 0.42 117.35 125.39 1piw s TYR 207 Ca 0.07 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.73 1piw s TYR 207 Cb -0.12 -1.55 -0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1piw s TYR 207 CO 0.01 0.03 -0.01 0.08 -1.11 0.00 0.00 175.55 174.56 1piw s VAL 208 N -0.63 4.17 -0.34 0.71 1.01 -0.65 -1.20 120.40 123.47 1piw s VAL 208 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1piw s VAL 208 Cb -0.10 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.51 1piw s VAL 208 CO -0.00 0.48 0.05 -0.63 0.00 0.00 0.00 175.10 175.00 1piw s ILE 209 N 0.39 2.70 0.13 2.22 1.01 0.29 -1.40 121.20 126.55 1piw s ILE 209 Ca -0.02 -1.93 0.06 0.00 0.00 0.00 0.00 60.65 58.77 1piw s ILE 209 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1piw s ILE 209 CO 0.02 -0.42 -0.14 -0.55 0.00 0.00 0.00 174.94 173.85 1piw s SER 210 N 1.27 2.06 0.03 3.58 0.15 -0.73 -1.88 113.70 118.18 1piw s SER 210 Ca 0.03 -0.84 -0.18 0.00 0.70 0.00 0.00 55.95 55.66 1piw s SER 210 Cb -0.20 -0.07 -0.20 0.00 -1.71 0.00 0.00 66.02 63.83 1piw s SER 210 CO -0.05 -0.15 1.18 0.08 1.20 0.00 0.00 173.24 175.50 1piw h ARG 211 N 3.41 0.49 -7.25 5.44 0.11 -1.89 0.27 114.38 114.96 1piw h ARG 211 Ca -0.40 -0.45 -0.47 0.00 0.10 0.00 0.00 59.98 58.77 1piw h ARG 211 Cb 1.20 0.11 0.10 0.00 1.11 0.00 0.00 29.97 32.48 1piw h ARG 211 CO 0.52 1.08 0.17 -1.54 0.10 0.00 0.00 179.97 180.30 1piw s SER 212 N -6.73 4.03 0.00 0.08 1.04 -1.26 -2.79 113.70 108.07 1piw s SER 212 Ca -0.13 -0.32 0.13 0.00 0.48 0.00 0.00 55.95 56.11 1piw s SER 212 Cb 0.05 0.06 0.22 0.00 0.10 0.00 0.00 66.02 66.44 1piw s SER 212 CO 0.83 -2.09 1.09 -1.20 0.98 0.00 0.00 173.24 172.85 1piw n SER 213 N -3.03 2.54 0.00 7.02 7.64 -1.26 -4.69 113.62 121.83 1piw n SER 213 Ca 0.16 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1piw n SER 213 Cb 0.60 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1piw n SER 213 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1piw n ARG 214 N 0.72 0.00 0.00 1.43 3.00 -1.26 -0.37 116.66 120.17 1piw n ARG 214 Ca 0.10 0.64 0.04 0.00 -0.00 0.00 0.00 57.85 58.63 1piw n ARG 214 Cb 0.38 -1.19 0.23 0.00 0.00 0.00 0.00 32.46 31.88 1piw n ARG 214 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1piw n LYS 215 N -1.69 0.23 -0.34 -0.14 5.02 -1.26 -3.89 118.16 116.09 1piw n LYS 215 Ca 0.00 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.43 1piw n LYS 215 Cb 0.00 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.76 1piw n LYS 215 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1piw h ARG 216 N 0.00 0.01 -0.17 1.97 2.43 -1.00 -1.04 114.38 116.57 1piw h ARG 216 Ca 0.00 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1piw h ARG 216 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1piw h ARG 216 CO 0.00 0.01 -0.43 1.49 -1.51 0.00 0.00 179.97 179.52 1piw h GLU 217 N 0.01 0.59 -0.57 0.20 4.81 -1.76 -3.16 114.58 114.70 1piw h GLU 217 Ca 0.57 -0.41 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1piw h GLU 217 Cb 1.10 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 1piw h GLU 217 CO -0.94 1.03 0.29 -0.44 -0.73 0.00 0.00 179.01 178.22 1piw h ASP 218 N 0.25 0.41 -0.40 1.04 3.45 -1.52 -1.96 116.42 117.69 1piw h ASP 218 Ca -0.01 0.03 0.08 0.00 0.43 0.00 0.00 57.03 57.57 1piw h ASP 218 Cb 1.04 -0.04 -0.09 0.00 -0.56 0.00 0.00 39.33 39.69 1piw h ASP 218 CO 0.09 0.28 -0.19 0.00 -1.57 0.00 0.00 179.24 177.85 1piw h ALA 219 N 1.31 0.11 0.00 3.45 0.00 -1.28 0.87 119.26 123.73 1piw h ALA 219 Ca 0.26 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 1piw h ALA 219 Cb 0.18 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1piw h ALA 219 CO -0.18 -0.55 -0.18 0.52 0.00 0.00 0.00 179.25 178.86 1piw h MET 220 N -0.12 0.00 -0.09 0.00 2.86 -1.42 -1.77 114.93 114.40 1piw h MET 220 Ca 0.20 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.68 1piw h MET 220 Cb 0.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1piw h MET 220 CO -0.47 0.18 -0.62 -0.22 1.06 0.00 0.00 176.91 176.84 1piw h LYS 221 N 0.00 0.33 0.00 1.72 3.64 -0.18 -2.88 116.57 119.21 1piw h LYS 221 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1piw h LYS 221 Cb 0.35 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1piw h LYS 221 CO 0.02 0.84 0.00 -1.33 -2.27 0.00 0.00 179.45 176.72 1piw n MET 222 N -3.88 0.12 0.00 1.90 2.81 -0.05 -4.90 117.12 113.12 1piw n MET 222 Ca -0.03 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1piw n MET 222 Cb 0.63 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 1piw n MET 222 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1piw n GLY 223 N 1.33 0.91 3.62 3.03 0.00 -1.04 -4.56 105.19 108.49 1piw n GLY 223 Ca 0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 1piw n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1piw n ALA 224 N -0.51 0.09 1.84 4.61 0.00 -0.75 -4.84 120.51 120.94 1piw n ALA 224 Ca 0.00 0.48 0.14 0.00 0.00 0.00 0.00 53.44 54.06 1piw n ALA 224 Cb 0.00 -2.19 0.77 0.00 0.00 0.00 0.00 19.45 18.03 1piw n ALA 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1piw n ASP 225 N 2.79 0.45 0.00 0.00 9.92 0.17 -4.63 116.55 125.24 1piw n ASP 225 Ca 0.17 -1.21 0.00 0.00 -0.53 0.00 0.00 54.79 53.22 1piw n ASP 225 Cb 0.24 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1piw n ASP 225 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 1piw n HIS 226 N -0.62 0.00 -4.35 1.24 -0.00 -1.12 -4.95 115.22 105.42 1piw n HIS 226 Ca 0.21 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.19 1piw n HIS 226 Cb 0.18 0.00 -0.13 0.00 -0.12 0.00 0.00 29.99 29.91 1piw n HIS 226 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 1piw s TYR 227 N -2.00 1.23 -0.01 1.57 5.04 -1.26 -1.64 117.35 120.28 1piw s TYR 227 Ca 0.00 -0.36 0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1piw s TYR 227 Cb 0.00 -0.73 -0.00 0.00 0.35 0.00 0.00 41.96 41.58 1piw s TYR 227 CO 0.00 0.03 -0.06 0.42 -1.34 0.00 0.00 175.55 174.60 1piw s ILE 228 N -0.86 0.50 -0.30 3.14 1.01 -0.49 -4.94 121.20 119.26 1piw s ILE 228 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1piw s ILE 228 Cb -0.08 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1piw s ILE 228 CO 0.01 0.15 0.02 0.00 0.00 0.00 0.00 174.94 175.12 1piw s ALA 229 N -0.07 2.86 0.00 9.38 0.00 -1.19 -1.78 121.76 130.96 1piw s ALA 229 Ca 0.01 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1piw s ALA 229 Cb -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1piw s ALA 229 CO -0.00 -1.25 0.34 2.41 0.00 0.00 0.00 175.76 177.26 1piw n THR 230 N 4.67 0.00 -0.26 0.00 -1.04 0.08 0.80 114.28 118.52 1piw n THR 230 Ca -0.13 0.84 0.18 0.00 -2.04 0.00 0.00 64.05 62.90 1piw n THR 230 Cb 0.44 -1.47 0.47 0.00 -1.82 0.00 0.00 70.33 67.95 1piw n THR 230 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1piw h LEU 231 N 0.00 0.48 -0.17 -4.42 3.38 -1.84 -2.55 115.31 110.19 1piw h LEU 231 Ca 0.00 0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1piw h LEU 231 Cb 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1piw h LEU 231 CO 0.00 0.19 -0.84 -0.33 0.09 0.00 0.00 178.44 177.55 1piw h GLU 232 N 0.48 0.69 -0.23 1.13 5.08 -1.39 -3.29 114.58 117.05 1piw h GLU 232 Ca 0.49 -0.61 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1piw h GLU 232 Cb 1.11 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1piw h GLU 232 CO -0.21 1.22 0.00 0.39 -1.00 0.00 0.00 179.01 179.41 1piw n GLU 233 N -3.89 1.90 0.00 2.33 1.02 0.24 -5.00 120.64 117.24 1piw n GLU 233 Ca -0.08 -1.37 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1piw n GLU 233 Cb 0.78 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1piw n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1piw n GLY 234 N 1.21 0.89 3.17 0.62 0.00 -1.06 -4.07 105.19 105.94 1piw n GLY 234 Ca 0.16 0.42 -0.39 0.00 0.00 0.00 0.00 46.02 46.22 1piw n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1piw s ASP 235 N -4.00 6.05 0.28 1.61 -1.08 -1.26 -4.85 116.67 113.41 1piw s ASP 235 Ca 0.00 -3.26 0.13 0.00 -0.52 0.00 0.00 52.55 48.89 1piw s ASP 235 Cb 0.00 -1.98 0.33 0.00 -1.46 0.00 0.00 42.92 39.80 1piw s ASP 235 CO 0.00 -0.32 1.58 4.11 0.52 0.00 0.00 175.17 181.06 1piw h TRP 236 N 6.71 0.00 -0.19 -5.34 5.08 -1.88 -2.68 115.95 117.65 1piw h TRP 236 Ca 0.10 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.04 1piw h TRP 236 Cb 0.90 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.05 1piw h TRP 236 CO 0.78 0.61 -0.03 0.78 -1.28 0.00 0.00 178.44 179.30 1piw h GLY 237 N 2.24 0.29 0.37 11.11 0.00 -1.90 0.55 103.07 115.73 1piw h GLY 237 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1piw h GLY 237 CO 0.08 0.15 -0.16 -2.09 0.00 0.00 0.00 176.54 174.51 1piw h GLU 238 N 0.27 -0.43 -0.70 4.80 4.57 -1.82 -1.06 114.58 120.20 1piw h GLU 238 Ca 0.06 0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.42 1piw h GLU 238 Cb 0.23 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 28.82 1piw h GLU 238 CO 0.01 -0.23 0.15 -0.22 -1.18 0.00 0.00 179.01 177.54 1piw h LYS 239 N -1.09 0.25 -0.91 1.92 3.64 -1.21 -0.87 116.57 118.30 1piw h LYS 239 Ca -0.05 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.76 1piw h LYS 239 Cb 0.40 -0.06 -0.29 0.00 -0.41 0.00 0.00 32.23 31.88 1piw h LYS 239 CO 0.08 0.16 0.55 0.66 -2.27 0.00 0.00 179.45 178.62 1piw n TYR 240 N -5.16 2.91 -1.66 1.91 4.02 0.19 -5.02 117.16 114.34 1piw n TYR 240 Ca 0.13 -2.42 -0.46 0.00 -0.01 0.00 0.00 57.90 55.13 1piw n TYR 240 Cb 0.42 -1.09 -0.04 0.00 -0.02 0.00 0.00 39.34 38.62 1piw n TYR 240 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1piw n PHE 241 N -1.00 2.17 -3.25 -0.72 7.35 -0.33 -3.42 117.46 118.26 1piw n PHE 241 Ca 0.57 0.35 -0.15 0.00 -0.76 0.00 0.00 57.45 57.46 1piw n PHE 241 Cb 1.06 -2.50 0.08 0.00 0.35 0.00 0.00 39.48 38.47 1piw n PHE 241 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1piw n ASP 242 N 2.99 -2.97 0.00 -2.13 2.03 -1.12 -4.96 116.55 110.40 1piw n ASP 242 Ca 0.16 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 54.89 1piw n ASP 242 Cb 0.29 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 1piw n ASP 242 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1piw n THR 243 N -3.67 0.00 -2.67 5.18 5.66 -0.68 -4.62 114.28 113.49 1piw n THR 243 Ca -0.22 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.37 1piw n THR 243 Cb 0.64 -1.42 -0.05 0.00 -1.55 0.00 0.00 70.33 67.95 1piw n THR 243 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1piw s PHE 244 N -2.00 3.80 -0.13 1.09 0.08 -0.89 -4.68 117.98 115.26 1piw s PHE 244 Ca 0.00 1.78 -0.04 0.00 0.12 0.00 0.00 56.93 58.79 1piw s PHE 244 Cb 0.00 -3.10 -0.25 0.00 -0.57 0.00 0.00 43.02 39.10 1piw s PHE 244 CO 0.00 0.05 0.34 -0.25 -0.10 0.00 0.00 175.22 175.26 1piw n ASP 245 N 2.22 2.01 -4.07 1.36 10.43 -1.05 -1.19 116.55 126.26 1piw n ASP 245 Ca 0.01 0.19 -0.14 0.00 2.57 0.00 0.00 54.79 57.43 1piw n ASP 245 Cb 0.48 -0.76 -0.12 0.00 1.84 0.00 0.00 41.12 42.56 1piw n ASP 245 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1piw s LEU 246 N -6.92 2.24 -0.18 0.64 2.96 -1.25 -0.52 118.68 115.65 1piw s LEU 246 Ca -0.22 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.13 1piw s LEU 246 Cb 0.07 -0.21 0.09 0.00 0.50 0.00 0.00 46.19 46.63 1piw s LEU 246 CO 0.76 -0.17 0.24 -0.63 -1.32 0.00 0.00 176.35 175.24 1piw s ILE 247 N -1.27 -0.37 -0.33 6.68 1.01 0.11 -1.18 121.20 125.85 1piw s ILE 247 Ca -0.08 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 1piw s ILE 247 Cb -0.09 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.76 1piw s ILE 247 CO 0.01 -0.09 0.21 -0.69 0.00 0.00 0.00 174.94 174.37 1piw s VAL 248 N 2.37 4.97 0.05 2.92 1.01 -0.57 0.24 120.40 131.39 1piw s VAL 248 Ca 0.06 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 1piw s VAL 248 Cb -0.14 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1piw s VAL 248 CO -0.11 -0.00 0.62 -0.69 0.00 0.00 0.00 175.10 174.92 1piw s VAL 249 N 1.67 4.76 0.00 2.92 1.01 0.16 -2.15 120.40 128.77 1piw s VAL 249 Ca 0.05 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1piw s VAL 249 Cb -0.17 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1piw s VAL 249 CO 0.09 0.48 0.37 0.00 0.00 0.00 0.00 175.10 176.04 1piw n ALA 251 N -0.06 0.00 0.15 0.00 0.00 -1.16 -4.87 120.51 114.57 1piw n ALA 251 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1piw n ALA 251 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.56 1piw n ALA 251 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1piw h SER 252 N 0.00 -0.41 -5.45 0.00 0.87 -1.98 -3.46 113.55 103.13 1piw h SER 252 Ca 0.00 0.03 0.19 0.00 -1.23 0.00 0.00 61.79 60.78 1piw h SER 252 Cb 0.00 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 1piw h SER 252 CO 0.00 -0.25 0.60 -0.55 -0.53 0.00 0.00 176.83 176.10 1piw s SER 253 N -4.86 -0.04 0.14 6.23 0.15 -1.26 -4.87 113.70 109.19 1piw s SER 253 Ca -0.15 -0.54 -0.10 0.00 0.70 0.00 0.00 55.95 55.86 1piw s SER 253 Cb 0.06 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1piw s SER 253 CO 0.65 -0.87 1.44 0.25 1.20 0.00 0.00 173.24 175.91 1piw h LEU 254 N 2.00 0.92 -0.08 3.45 6.46 -1.92 -3.08 115.31 123.06 1piw h LEU 254 Ca -0.27 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.02 1piw h LEU 254 Cb 1.22 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1piw h LEU 254 CO 0.32 1.26 0.00 0.35 -0.62 0.00 0.00 178.44 179.76 1piw n THR 255 N -4.01 0.00 0.53 1.05 -2.24 -1.26 -1.88 114.28 106.48 1piw n THR 255 Ca -0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 1piw n THR 255 Cb 0.60 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1piw n THR 255 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1piw n ASP 256 N -0.45 0.54 -4.57 3.42 9.92 -1.16 -4.91 116.55 119.33 1piw n ASP 256 Ca 0.00 -0.77 -0.39 0.00 -0.53 0.00 0.00 54.79 53.10 1piw n ASP 256 Cb 0.02 0.99 -0.03 0.00 -0.64 0.00 0.00 41.12 41.46 1piw n ASP 256 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1piw s ILE 257 N -2.06 3.19 -0.85 0.53 -1.09 -0.78 -4.85 121.20 115.29 1piw s ILE 257 Ca 0.04 0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 58.36 1piw s ILE 257 Cb 0.09 -3.41 -0.10 0.00 -1.58 0.00 0.00 42.46 37.46 1piw s ILE 257 CO 0.46 -0.36 2.19 -0.62 -1.23 0.00 0.00 174.94 175.38 1piw s ASP 258 N 9.33 4.47 0.13 3.58 -1.08 -1.26 -4.67 116.67 127.17 1piw s ASP 258 Ca 0.86 -0.32 0.14 0.00 -0.52 0.00 0.00 52.55 52.71 1piw s ASP 258 Cb -0.19 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.38 1piw s ASP 258 CO 0.27 -3.37 1.44 0.49 0.52 0.00 0.00 175.17 174.53 1piw n PHE 259 N 16.50 0.35 1.42 -5.34 3.01 -1.26 -0.47 117.46 131.67 1piw n PHE 259 Ca 0.44 0.16 0.13 0.00 1.01 0.00 0.00 57.45 59.18 1piw n PHE 259 Cb 0.45 -0.75 0.71 0.00 -0.01 0.00 0.00 39.48 39.87 1piw n PHE 259 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1piw n ASN 260 N -1.84 0.00 0.11 4.37 3.02 -1.26 -4.23 115.26 115.43 1piw n ASN 260 Ca 0.01 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1piw n ASN 260 Cb 0.11 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1piw n ASN 260 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1piw n ILE 261 N -1.15 0.19 -0.35 2.41 5.41 0.38 -4.89 119.36 121.37 1piw n ILE 261 Ca 0.16 0.06 0.01 0.00 1.00 0.00 0.00 62.75 63.98 1piw n ILE 261 Cb 0.15 -0.61 0.07 0.00 -0.71 0.00 0.00 39.64 38.53 1piw n ILE 261 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1piw n MET 262 N -3.32 -0.17 -0.24 0.38 1.56 0.08 -0.27 117.12 115.14 1piw n MET 262 Ca 0.00 1.42 0.04 0.00 -0.27 0.00 0.00 57.70 58.88 1piw n MET 262 Cb 0.00 -2.11 0.16 0.00 2.15 0.00 0.00 33.22 33.42 1piw n MET 262 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1piw h PRO 263 N 0.00 0.38 -1.00 2.12 0.11 -1.80 -1.45 132.00 130.36 1piw h PRO 263 Ca 0.36 -0.02 0.35 0.00 0.11 0.00 0.00 66.00 66.79 1piw h PRO 263 Cb 0.58 -0.09 -0.16 0.00 0.11 0.00 0.00 31.00 31.45 1piw h PRO 263 CO -0.92 0.25 0.57 -0.22 -0.21 0.00 0.00 178.00 177.47 1piw h LYS 264 N 0.40 0.23 0.00 1.05 3.64 -0.93 0.87 116.57 121.83 1piw h LYS 264 Ca 0.38 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1piw h LYS 264 Cb 0.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1piw h LYS 264 CO -0.40 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 176.94 1piw n ALA 265 N -2.28 2.37 -2.64 5.00 0.00 -0.55 -2.77 120.51 119.64 1piw n ALA 265 Ca 0.33 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 1piw n ALA 265 Cb 1.07 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 1piw n ALA 265 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1piw s MET 266 N -2.43 4.39 0.55 0.00 -1.94 0.30 -1.68 119.30 118.49 1piw s MET 266 Ca 0.29 0.77 -0.18 0.00 -1.71 0.00 0.00 55.69 54.85 1piw s MET 266 Cb 0.18 -3.41 -0.06 0.00 2.01 0.00 0.00 34.83 33.55 1piw s MET 266 CO 0.38 0.17 1.08 -1.59 -0.01 0.00 0.00 175.02 175.05 1piw s LYS 267 N 0.47 3.45 -0.29 2.03 -2.85 -0.33 -4.34 119.74 117.87 1piw s LYS 267 Ca 0.34 1.40 -0.39 0.00 -1.00 0.00 0.00 55.97 56.31 1piw s LYS 267 Cb -0.17 -2.04 -0.15 0.00 -2.06 0.00 0.00 37.83 33.41 1piw s LYS 267 CO 0.17 -0.73 1.83 0.28 0.10 0.00 0.00 175.35 177.00 1piw n VAL 268 N -1.47 0.30 0.00 1.79 0.31 -1.26 0.14 118.33 118.14 1piw n VAL 268 Ca 0.10 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1piw n VAL 268 Cb 0.52 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1piw n VAL 268 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1piw n GLY 269 N 4.67 0.67 3.63 2.92 0.00 0.36 -5.07 105.19 112.38 1piw n GLY 269 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1piw n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1piw n GLY 270 N -1.12 -0.20 3.07 -0.02 0.00 0.38 -4.80 105.19 102.50 1piw n GLY 270 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1piw n GLY 270 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1piw s ARG 271 N -2.87 2.40 -0.42 1.61 0.52 0.32 -2.22 118.95 118.28 1piw s ARG 271 Ca 0.77 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 55.23 1piw s ARG 271 Cb -0.41 -2.04 0.05 0.00 0.52 0.00 0.00 34.95 33.07 1piw s ARG 271 CO 0.46 -0.09 0.30 0.42 0.02 0.00 0.00 175.30 176.41 1piw s ILE 272 N 1.05 4.89 -0.22 1.52 -1.09 -1.05 -0.71 121.20 125.59 1piw s ILE 272 Ca -0.04 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.36 1piw s ILE 272 Cb -0.15 -3.83 -0.02 0.00 -1.58 0.00 0.00 42.46 36.89 1piw s ILE 272 CO -0.03 -0.41 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.57 1piw s VAL 273 N 1.59 3.68 0.20 2.92 1.01 0.14 -2.40 120.40 127.54 1piw s VAL 273 Ca 0.03 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 1piw s VAL 273 Cb -0.21 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 1piw s VAL 273 CO 0.07 0.41 0.61 -0.55 0.00 0.00 0.00 175.10 175.64 1piw s SER 274 N 1.36 6.84 0.00 3.32 0.15 0.17 0.36 113.70 125.90 1piw s SER 274 Ca 0.04 1.15 0.01 0.00 0.70 0.00 0.00 55.95 57.85 1piw s SER 274 Cb -0.14 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1piw s SER 274 CO -0.00 0.02 0.44 0.00 1.20 0.00 0.00 173.24 174.89 1piw n ILE 275 N 0.48 0.00 -2.55 6.45 3.06 -0.29 -1.64 119.36 124.88 1piw n ILE 275 Ca -0.03 -0.50 -0.30 0.00 -2.50 0.00 0.00 62.75 59.43 1piw n ILE 275 Cb 0.52 1.01 -0.02 0.00 0.54 0.00 0.00 39.64 41.69 1piw n ILE 275 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1piw s SER 276 N -0.23 6.42 -0.29 9.51 0.01 -1.26 -4.88 113.70 122.98 1piw s SER 276 Ca 0.01 1.20 -0.10 0.00 1.31 0.00 0.00 55.95 58.37 1piw s SER 276 Cb 0.01 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1piw s SER 276 CO 0.01 -0.56 0.15 -0.63 0.41 0.00 0.00 173.24 172.62 1piw s ILE 277 N -2.65 4.77 0.67 1.44 1.01 -1.26 -4.85 121.20 120.33 1piw s ILE 277 Ca 0.52 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1piw s ILE 277 Cb -0.10 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.03 1piw s ILE 277 CO 0.39 0.18 1.06 -2.84 0.00 0.00 0.00 174.94 173.73 1piw s PRO 278 N 1.66 3.03 0.30 2.79 0.02 -1.26 -5.00 135.00 136.53 1piw s PRO 278 Ca 0.06 1.01 -0.29 0.00 0.02 0.00 0.00 61.00 61.80 1piw s PRO 278 Cb -0.16 -2.00 -0.10 0.00 0.02 0.00 0.00 34.50 32.26 1piw s PRO 278 CO 0.07 -1.03 1.30 -1.21 -0.33 0.00 0.00 177.00 175.80 1piw s GLU 279 N -4.82 4.38 0.66 5.54 2.02 -1.26 -4.82 118.70 120.40 1piw s GLU 279 Ca 0.59 2.16 0.14 0.00 0.02 0.00 0.00 54.97 57.88 1piw s GLU 279 Cb -0.14 -3.11 0.77 0.00 0.10 0.00 0.00 34.13 31.75 1piw s GLU 279 CO 0.51 -0.18 1.43 1.96 0.02 0.00 0.00 175.26 179.00 1piw h GLN 280 N 3.93 0.00 -2.61 1.61 4.20 -2.01 -2.96 115.11 117.27 1piw h GLN 280 Ca -0.48 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.68 1piw h GLN 280 Cb 1.22 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.61 1piw h GLN 280 CO 0.69 0.00 -0.82 -1.01 -0.67 0.00 0.00 178.83 177.02 1piw s HIS 281 N -4.02 0.53 0.00 2.96 3.76 -1.26 -4.95 115.29 112.30 1piw s HIS 281 Ca -0.02 -1.33 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 1piw s HIS 281 Cb 0.04 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.86 1piw s HIS 281 CO 0.13 -0.84 0.00 -1.91 -0.85 0.00 0.00 174.74 171.27 1piw n GLU 282 N 4.44 2.54 -1.90 1.40 2.13 -1.12 -5.15 120.64 122.98 1piw n GLU 282 Ca 0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1piw n GLU 282 Cb 0.39 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.27 1piw n GLU 282 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1piw n MET 283 N -1.41 -3.91 -5.07 5.31 2.81 -1.26 -5.03 117.12 108.56 1piw n MET 283 Ca 0.00 2.77 -0.30 0.00 -1.81 0.00 0.00 57.70 58.36 1piw n MET 283 Cb 0.28 -3.16 -0.15 0.00 -0.71 0.00 0.00 33.22 29.47 1piw n MET 283 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1piw s LEU 284 N -0.69 2.10 -0.23 4.03 0.20 -1.26 -5.07 118.68 117.76 1piw s LEU 284 Ca 0.00 -0.51 -0.02 0.00 0.69 0.00 0.00 54.13 54.29 1piw s LEU 284 Cb 0.00 -1.26 0.07 0.00 -0.43 0.00 0.00 46.19 44.57 1piw s LEU 284 CO 0.00 0.28 0.05 -0.44 -0.29 0.00 0.00 176.35 175.95 1piw s SER 285 N -0.88 3.31 0.29 3.68 0.01 -1.26 -5.12 113.70 113.73 1piw s SER 285 Ca 0.10 -1.09 0.11 0.00 1.31 0.00 0.00 55.95 56.38 1piw s SER 285 Cb -0.10 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.40 1piw s SER 285 CO 0.00 -0.34 -0.17 -0.76 0.41 0.00 0.00 173.24 172.38 1piw s LEU 286 N 1.79 2.64 0.58 2.44 1.43 -1.26 -5.11 118.68 121.18 1piw s LEU 286 Ca 0.02 -1.05 -0.21 0.00 -1.03 0.00 0.00 54.13 51.87 1piw s LEU 286 Cb -0.17 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1piw s LEU 286 CO -0.15 -0.00 1.34 -0.54 0.23 0.00 0.00 176.35 177.23 1piw s LYS 287 N -3.53 2.96 0.56 1.70 3.01 -1.26 -4.84 119.74 118.34 1piw s LYS 287 Ca 0.31 2.18 0.27 0.00 -1.01 0.00 0.00 55.97 57.71 1piw s LYS 287 Cb -0.04 -2.13 1.48 0.00 -1.01 0.00 0.00 37.83 36.13 1piw s LYS 287 CO 0.15 -1.31 2.01 -1.35 0.51 0.00 0.00 175.35 175.36 1piw h PRO 288 N 1.18 0.00 -0.33 -1.68 0.11 -2.03 0.11 132.00 129.35 1piw h PRO 288 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1piw h PRO 288 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1piw h PRO 288 CO 0.56 0.00 0.01 2.48 -0.21 0.00 0.00 178.00 180.84 1piw n TYR 289 N -4.10 1.19 -0.03 0.65 0.18 -1.26 -4.72 117.16 109.07 1piw n TYR 289 Ca 0.07 -0.91 -0.14 0.00 1.88 0.00 0.00 57.90 58.80 1piw n TYR 289 Cb 0.53 -0.37 -0.10 0.00 -0.38 0.00 0.00 39.34 39.02 1piw n TYR 289 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1piw h GLY 290 N 2.13 0.18 -4.74 -7.48 0.00 -1.10 -3.31 103.07 88.76 1piw h GLY 290 Ca 0.02 -0.25 -0.51 0.00 0.00 0.00 0.00 47.33 46.59 1piw h GLY 290 CO 0.30 0.23 1.27 1.04 0.00 0.00 0.00 176.54 179.37 1piw n LEU 291 N -4.60 6.93 -4.58 3.11 4.77 -1.26 -4.93 117.00 116.44 1piw n LEU 291 Ca -0.09 -4.09 -0.41 0.00 -0.03 0.00 0.00 56.01 51.40 1piw n LEU 291 Cb 0.41 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 1piw n LEU 291 CO 0.38 1.86 1.64 -0.75 -1.33 0.00 0.00 177.39 179.19 1piw s LYS 292 N -0.23 2.95 -1.11 3.23 2.20 -1.25 -2.05 119.74 123.49 1piw s LYS 292 Ca 0.62 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.45 1piw s LYS 292 Cb 0.29 -4.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1piw s LYS 292 CO -0.11 -2.32 0.00 0.00 -0.36 0.00 0.00 175.35 172.57 1piw n ALA 293 N 11.83 -0.16 -3.50 3.13 0.00 -1.26 -4.89 120.51 125.66 1piw n ALA 293 Ca 0.24 0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.61 1piw n ALA 293 Cb 0.49 -1.31 -0.17 0.00 0.00 0.00 0.00 19.45 18.47 1piw n ALA 293 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1piw s VAL 294 N -2.35 1.11 0.50 0.00 1.01 -0.87 -0.49 120.40 119.31 1piw s VAL 294 Ca 0.00 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1piw s VAL 294 Cb 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1piw s VAL 294 CO 0.00 0.35 0.70 -0.94 0.00 0.00 0.00 175.10 175.21 1piw s SER 295 N 0.74 5.47 -0.21 3.32 1.04 -0.94 -4.69 113.70 118.43 1piw s SER 295 Ca -0.13 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.09 1piw s SER 295 Cb -0.16 -0.93 0.06 0.00 0.10 0.00 0.00 66.02 65.10 1piw s SER 295 CO 0.03 -0.96 0.51 -0.51 0.98 0.00 0.00 173.24 173.29 1piw s ILE 296 N -2.61 -0.01 0.17 -1.02 -1.16 -1.26 -2.54 121.20 112.76 1piw s ILE 296 Ca 0.55 0.05 -0.23 0.00 -0.51 0.00 0.00 60.65 60.51 1piw s ILE 296 Cb -0.10 -0.75 0.08 0.00 0.61 0.00 0.00 42.46 42.30 1piw s ILE 296 CO 0.37 0.02 1.04 -0.94 -2.81 0.00 0.00 174.94 172.61 1piw s SER 297 N 1.25 -0.04 0.17 4.50 1.04 -1.01 -5.02 113.70 114.59 1piw s SER 297 Ca -0.08 -0.59 0.07 0.00 0.48 0.00 0.00 55.95 55.83 1piw s SER 297 Cb -0.06 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1piw s SER 297 CO -0.12 -0.93 -0.14 -0.72 0.98 0.00 0.00 173.24 172.31 1piw s TYR 298 N -2.42 1.54 0.22 5.02 -0.85 -1.26 0.43 117.35 120.03 1piw s TYR 298 Ca 0.19 -0.61 0.10 0.00 -0.52 0.00 0.00 57.07 56.23 1piw s TYR 298 Cb -0.02 -0.75 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 1piw s TYR 298 CO 0.04 0.24 -0.09 0.45 -1.52 0.00 0.00 175.55 174.67 1piw s SER 299 N -3.04 4.19 -0.16 -0.18 0.15 -0.65 -4.90 113.70 109.10 1piw s SER 299 Ca 0.18 -0.68 -0.00 0.00 0.70 0.00 0.00 55.95 56.14 1piw s SER 299 Cb -0.01 -0.66 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1piw s SER 299 CO 0.04 0.07 -0.09 0.00 1.20 0.00 0.00 173.24 174.46 1piw s ALA 300 N -2.00 1.62 0.00 5.45 0.00 -1.26 -4.73 121.76 120.84 1piw s ALA 300 Ca 0.27 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1piw s ALA 300 Cb -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1piw s ALA 300 CO 0.16 -0.62 0.00 1.28 0.00 0.00 0.00 175.76 176.58 1piw n LEU 301 N 4.83 0.00 -3.57 0.00 4.77 -1.26 -4.85 117.00 116.92 1piw n LEU 301 Ca -0.14 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.88 1piw n LEU 301 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1piw n LEU 301 CO 0.18 0.00 1.22 -0.83 -1.33 0.00 0.00 177.39 176.63 1piw s GLY 302 N 0.00 -0.46 0.57 -0.72 0.00 -1.26 -4.28 107.32 101.16 1piw s GLY 302 Ca 0.00 1.09 -0.16 0.00 0.00 0.00 0.00 44.72 45.66 1piw s GLY 302 CO 0.00 0.24 1.03 -1.35 0.00 0.00 0.00 173.10 173.02 1piw s SER 303 N -2.87 6.11 0.28 1.64 1.04 -1.26 -4.61 113.70 114.03 1piw s SER 303 Ca 0.15 1.70 -0.03 0.00 0.48 0.00 0.00 55.95 58.24 1piw s SER 303 Cb 0.07 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 64.06 1piw s SER 303 CO -0.06 -0.94 1.93 0.16 0.98 0.00 0.00 173.24 175.31 1piw h ILE 304 N 0.55 1.18 -0.75 -1.02 -2.65 -1.94 0.17 117.51 113.05 1piw h ILE 304 Ca -0.47 -0.41 0.16 0.00 1.03 0.00 0.00 64.86 65.17 1piw h ILE 304 Cb 1.20 -0.12 -0.11 0.00 -2.05 0.00 0.00 36.82 35.74 1piw h ILE 304 CO 0.59 0.22 0.21 0.50 0.03 0.00 0.00 178.15 179.71 1piw h LYS 305 N 1.20 0.30 -0.24 0.16 3.64 -1.95 0.69 116.57 120.37 1piw h LYS 305 Ca 0.36 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 1piw h LYS 305 Cb -0.04 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1piw h LYS 305 CO -0.10 0.20 -0.28 0.93 -2.27 0.00 0.00 179.45 177.92 1piw h GLU 306 N 0.31 0.61 -1.01 1.90 5.08 -1.45 -2.18 114.58 117.84 1piw h GLU 306 Ca 0.43 -0.34 0.13 0.00 -1.00 0.00 0.00 59.36 58.58 1piw h GLU 306 Cb 0.73 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.91 1piw h GLU 306 CO -0.50 0.94 0.63 1.25 -1.00 0.00 0.00 179.01 180.34 1piw h LEU 307 N 0.31 0.90 -0.10 1.33 5.85 0.22 0.22 115.31 124.04 1piw h LEU 307 Ca 0.03 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1piw h LEU 307 Cb 0.85 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1piw h LEU 307 CO 0.07 0.45 -0.17 0.78 -0.34 0.00 0.00 178.44 179.23 1piw h ASN 308 N 0.95 0.33 -0.38 1.25 2.35 0.25 -2.52 115.58 117.82 1piw h ASN 308 Ca 0.51 -0.54 0.08 0.00 -0.55 0.00 0.00 56.30 55.80 1piw h ASN 308 Cb 0.57 -0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.76 1piw h ASN 308 CO -0.29 0.81 -0.26 1.56 -1.65 0.00 0.00 177.43 177.61 1piw h GLN 309 N -0.13 -0.19 -0.48 0.81 4.20 -0.53 0.44 115.11 119.24 1piw h GLN 309 Ca 0.01 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.82 1piw h GLN 309 Cb 0.74 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.48 1piw h GLN 309 CO 0.04 -0.13 -0.04 1.25 -0.67 0.00 0.00 178.83 179.29 1piw h LEU 310 N -0.19 -0.28 0.12 1.46 5.85 -0.61 0.42 115.31 122.08 1piw h LEU 310 Ca 0.18 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.03 1piw h LEU 310 Cb 0.48 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1piw h LEU 310 CO -0.50 -0.10 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.30 1piw h LEU 311 N 0.07 -0.38 -0.89 2.25 3.38 -0.49 0.36 115.31 119.61 1piw h LEU 311 Ca 0.24 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.39 1piw h LEU 311 Cb 0.36 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 1piw h LEU 311 CO -0.43 -0.21 0.50 0.50 0.09 0.00 0.00 178.44 178.89 1piw h LYS 312 N -0.30 0.71 0.08 1.13 3.64 0.93 0.20 116.57 122.96 1piw h LYS 312 Ca 0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1piw h LYS 312 Cb 0.29 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1piw h LYS 312 CO -0.05 0.47 -0.04 1.25 -2.27 0.00 0.00 179.45 178.81 1piw h LEU 313 N 0.73 -0.09 -1.02 5.20 5.85 0.51 -1.06 115.31 125.43 1piw h LEU 313 Ca 0.48 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 59.01 1piw h LEU 313 Cb 0.62 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 1piw h LEU 313 CO -0.33 0.16 0.66 0.58 -0.34 0.00 0.00 178.44 179.17 1piw h VAL 314 N -0.34 1.23 0.36 1.05 2.07 0.44 -1.89 116.25 119.18 1piw h VAL 314 Ca -0.01 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1piw h VAL 314 Cb 0.29 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1piw h VAL 314 CO 0.02 0.24 -0.18 -1.28 0.02 0.00 0.00 177.57 176.39 1piw h SER 315 N 1.32 -0.42 0.00 0.57 0.87 -0.53 -0.61 113.55 114.76 1piw h SER 315 Ca 0.38 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1piw h SER 315 Cb -0.10 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1piw h SER 315 CO -0.09 -0.28 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.60 1piw h GLU 316 N -0.53 -0.01 0.00 2.24 5.08 -1.15 -1.20 114.58 119.01 1piw h GLU 316 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1piw h GLU 316 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1piw h GLU 316 CO 0.08 -0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 1piw n LYS 317 N -2.39 0.28 -2.53 2.33 4.76 -0.72 -4.88 118.16 115.02 1piw n LYS 317 Ca -0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1piw n LYS 317 Cb 0.00 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1piw n LYS 317 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1piw n ASP 318 N -0.71 -4.70 -4.58 4.39 2.03 -0.45 -4.97 116.55 107.56 1piw n ASP 318 Ca 0.03 0.23 -0.33 0.00 0.52 0.00 0.00 54.79 55.25 1piw n ASP 318 Cb 0.01 -1.16 -0.11 0.00 -0.72 0.00 0.00 41.12 39.15 1piw n ASP 318 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1piw s ILE 319 N -0.78 3.59 -0.28 5.18 -0.00 -0.32 -5.02 121.20 123.57 1piw s ILE 319 Ca 0.04 -0.70 0.03 0.00 -0.00 0.00 0.00 60.65 60.02 1piw s ILE 319 Cb -0.00 -2.52 0.07 0.00 -0.00 0.00 0.00 42.46 40.01 1piw s ILE 319 CO 0.09 0.47 -0.05 -0.75 -0.00 0.00 0.00 174.94 174.70 1piw s LYS 320 N -1.18 1.88 0.82 0.37 2.20 -1.26 -4.92 119.74 117.65 1piw s LYS 320 Ca 0.15 -1.41 -0.11 0.00 -0.36 0.00 0.00 55.97 54.24 1piw s LYS 320 Cb -0.11 -2.89 0.09 0.00 -1.51 0.00 0.00 37.83 33.41 1piw s LYS 320 CO 0.05 -0.68 1.09 0.96 -0.36 0.00 0.00 175.35 176.41 1piw s ILE 321 N 1.12 3.06 -1.04 5.43 -4.36 -1.26 -4.92 121.20 119.23 1piw s ILE 321 Ca -0.03 0.35 -0.20 0.00 -0.26 0.00 0.00 60.65 60.51 1piw s ILE 321 Cb -0.19 -2.85 0.09 0.00 1.25 0.00 0.00 42.46 40.76 1piw s ILE 321 CO -0.07 -0.45 1.38 0.26 0.24 0.00 0.00 174.94 176.30 1piw s TRP 322 N -2.93 2.85 0.10 1.37 0.52 -1.26 -4.98 118.94 114.62 1piw s TRP 322 Ca 0.62 -1.25 0.04 0.00 0.02 0.00 0.00 56.10 55.53 1piw s TRP 322 Cb -0.17 -4.53 -0.04 0.00 -1.15 0.00 0.00 33.47 27.58 1piw s TRP 322 CO 0.56 -1.72 0.07 0.08 0.02 0.00 0.00 176.95 175.96 1piw s VAL 323 N 3.78 4.36 -0.05 4.03 1.01 -1.26 -2.20 120.40 130.08 1piw s VAL 323 Ca 0.42 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1piw s VAL 323 Cb -0.01 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1piw s VAL 323 CO -0.07 0.07 -0.01 -0.70 0.00 0.00 0.00 175.10 174.39 1piw s GLU 324 N -2.52 0.56 0.47 2.72 2.12 -0.60 -4.97 118.70 116.49 1piw s GLU 324 Ca 0.29 0.04 -0.01 0.00 0.36 0.00 0.00 54.97 55.64 1piw s GLU 324 Cb -0.12 -0.77 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 1piw s GLU 324 CO 0.21 -0.18 0.72 0.95 -0.54 0.00 0.00 175.26 176.42 1piw s THR 325 N 1.36 4.08 0.05 -1.70 -4.23 -1.26 -2.10 115.64 111.83 1piw s THR 325 Ca -0.05 -0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 59.98 1piw s THR 325 Cb -0.13 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.20 1piw s THR 325 CO -0.02 -0.42 0.34 -0.76 -0.54 0.00 0.00 174.62 173.22 1piw s LEU 326 N -4.64 0.70 -0.04 4.79 1.43 -1.20 -4.86 118.68 114.85 1piw s LEU 326 Ca 0.49 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 1piw s LEU 326 Cb -0.10 1.51 -0.06 0.00 0.03 0.00 0.00 46.19 47.57 1piw s LEU 326 CO 0.40 -0.64 1.65 -2.16 0.23 0.00 0.00 176.35 175.82 1piw s PRO 327 N -2.60 4.19 -0.54 1.29 0.04 -1.26 -1.48 135.00 134.63 1piw s PRO 327 Ca -0.05 2.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 1piw s PRO 327 Cb -0.01 -3.95 -0.29 0.00 0.04 0.00 0.00 34.50 30.30 1piw s PRO 327 CO -0.03 -0.83 1.83 0.28 0.04 0.00 0.00 177.00 178.29 1piw n VAL 328 N 5.40 0.33 -3.61 -0.36 0.31 -0.93 -3.74 118.33 115.73 1piw n VAL 328 Ca 0.17 -0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 1piw n VAL 328 Cb 0.43 -2.05 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1piw n VAL 328 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1piw s GLY 329 N 7.30 -0.25 0.00 2.92 0.00 -1.26 -4.91 107.32 111.12 1piw s GLY 329 Ca 0.72 2.29 0.00 0.00 0.00 0.00 0.00 44.72 47.73 1piw s GLY 329 CO 0.26 1.46 0.00 1.18 0.00 0.00 0.00 173.10 176.00 1piw n GLU 330 N 1.59 0.00 0.34 2.90 1.02 -1.26 0.28 120.64 125.51 1piw n GLU 330 Ca -0.12 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.88 1piw n GLU 330 Cb 0.57 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.92 1piw n GLU 330 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1piw h ALA 331 N 0.00 -1.03 -0.56 0.62 0.00 -1.90 -2.83 119.26 113.56 1piw h ALA 331 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.77 1piw h ALA 331 Cb 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 1piw h ALA 331 CO 0.00 -0.96 -0.56 0.78 0.00 0.00 0.00 179.25 178.51 1piw h GLY 332 N -1.07 -0.98 -0.97 0.00 0.00 0.39 -1.78 103.07 98.65 1piw h GLY 332 Ca -0.09 0.75 0.13 0.00 0.00 0.00 0.00 47.33 48.11 1piw h GLY 332 CO 0.15 -0.08 -0.46 -2.08 0.00 0.00 0.00 176.54 174.06 1piw h VAL 333 N -0.29 0.00 -0.43 4.60 2.07 -1.51 0.23 116.25 120.93 1piw h VAL 333 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1piw h VAL 333 Cb 0.54 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1piw h VAL 333 CO -0.68 0.00 -0.23 -0.74 0.02 0.00 0.00 177.57 175.94 1piw h HIS 334 N -0.01 -0.60 -0.91 1.57 6.17 -1.07 0.58 115.15 120.88 1piw h HIS 334 Ca 0.27 0.05 0.17 0.00 0.71 0.00 0.00 60.37 61.57 1piw h HIS 334 Cb 0.53 0.33 -0.07 0.00 2.52 0.00 0.00 27.41 30.71 1piw h HIS 334 CO -0.92 -0.31 0.59 1.49 0.71 0.00 0.00 177.93 179.48 1piw h GLU 335 N -0.15 0.61 0.24 5.26 4.81 -0.23 0.22 114.58 125.34 1piw h GLU 335 Ca 0.20 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1piw h GLU 335 Cb 0.47 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1piw h GLU 335 CO -0.52 0.40 -0.11 0.00 -0.73 0.00 0.00 179.01 178.05 1piw h ALA 336 N 1.61 -0.46 -1.00 2.92 0.00 0.14 -0.30 119.26 122.17 1piw h ALA 336 Ca 0.47 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.51 1piw h ALA 336 Cb 0.87 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.68 1piw h ALA 336 CO -0.22 -0.44 0.61 0.74 0.00 0.00 0.00 179.25 179.94 1piw h PHE 337 N -0.71 1.04 0.06 0.00 0.05 -0.23 0.54 116.94 117.68 1piw h PHE 337 Ca -0.03 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 1piw h PHE 337 Cb 0.25 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 37.88 1piw h PHE 337 CO 0.03 0.22 -0.03 1.49 -0.18 0.00 0.00 178.31 179.84 1piw h GLU 338 N 0.73 -0.08 0.00 1.51 4.81 -0.62 -2.10 114.58 118.83 1piw h GLU 338 Ca 0.58 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.81 1piw h GLU 338 Cb 0.94 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1piw h GLU 338 CO -0.37 0.13 0.00 0.54 -0.73 0.00 0.00 179.01 178.58 1piw n ARG 339 N -5.03 0.26 0.02 1.92 1.74 -0.12 -3.52 116.66 111.93 1piw n ARG 339 Ca -0.08 0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 1piw n ARG 339 Cb 0.15 -1.83 -0.07 0.00 -1.02 0.00 0.00 32.46 29.68 1piw n ARG 339 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1piw h MET 340 N 0.00 -0.15 -1.70 5.56 2.86 0.12 -1.36 114.93 120.26 1piw h MET 340 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1piw h MET 340 Cb 0.68 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1piw h MET 340 CO 0.00 0.30 0.00 -1.91 1.06 0.00 0.00 176.91 176.36 1piw n GLU 341 N -4.86 0.24 0.00 1.72 2.13 -0.80 -1.65 120.64 117.43 1piw n GLU 341 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1piw n GLU 341 Cb 0.26 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1piw n GLU 341 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1piw n LYS 342 N 0.86 1.50 -0.47 5.31 5.02 -1.20 -5.02 118.16 124.15 1piw n LYS 342 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1piw n LYS 342 Cb 0.12 -0.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1piw n LYS 342 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1piw n GLY 343 N 0.01 0.75 2.14 0.72 0.00 -0.66 -4.93 105.19 103.22 1piw n GLY 343 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1piw n GLY 343 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1piw n ASP 344 N 0.00 5.60 -4.13 1.61 -0.08 -0.58 -4.78 116.55 114.19 1piw n ASP 344 Ca 0.00 -2.69 -0.25 0.00 -1.51 0.00 0.00 54.79 50.34 1piw n ASP 344 Cb 0.00 -1.37 -0.16 0.00 2.34 0.00 0.00 41.12 41.93 1piw n ASP 344 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1piw s VAL 345 N 0.09 1.35 -0.08 5.18 1.01 -1.26 -4.85 120.40 121.85 1piw s VAL 345 Ca 0.65 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1piw s VAL 345 Cb 0.34 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.56 1piw s VAL 345 CO -0.06 0.39 2.33 -1.14 0.00 0.00 0.00 175.10 176.62 1piw n ARG 346 N 3.01 1.40 0.00 2.72 3.00 -1.26 -4.77 116.66 120.75 1piw n ARG 346 Ca -0.17 -0.58 0.00 0.00 -0.00 0.00 0.00 57.85 57.10 1piw n ARG 346 Cb 0.53 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.65 1piw n ARG 346 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1piw n TYR 347 N 1.43 0.00 -3.63 -0.14 0.53 -1.26 -4.44 117.16 109.65 1piw n TYR 347 Ca 0.16 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.92 1piw n TYR 347 Cb 0.59 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.78 1piw n TYR 347 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1piw s ARG 348 N 0.00 0.22 0.41 -0.72 1.81 -0.94 -3.51 118.95 116.22 1piw s ARG 348 Ca 0.00 0.80 -0.18 0.00 -1.72 0.00 0.00 55.73 54.62 1piw s ARG 348 Cb 0.00 -0.01 -0.10 0.00 -0.45 0.00 0.00 34.95 34.40 1piw s ARG 348 CO 0.00 -0.32 0.89 -0.06 -0.68 0.00 0.00 175.30 175.13 1piw s PHE 349 N 2.48 3.35 -0.34 -0.53 2.99 -1.26 -1.55 117.98 123.13 1piw s PHE 349 Ca 0.01 1.46 -0.00 0.00 0.00 0.00 0.00 56.93 58.40 1piw s PHE 349 Cb -0.12 -2.74 0.13 0.00 0.00 0.00 0.00 43.02 40.29 1piw s PHE 349 CO -0.10 -0.09 0.22 0.99 -0.00 0.00 0.00 175.22 176.24 1piw s THR 350 N -2.19 0.01 -0.55 0.64 2.01 -0.89 -1.74 115.64 112.93 1piw s THR 350 Ca 0.59 -1.36 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1piw s THR 350 Cb -0.09 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1piw s THR 350 CO 0.17 -0.86 2.34 -0.76 -0.69 0.00 0.00 174.62 174.82 1piw s LEU 351 N 1.39 3.32 0.49 4.42 1.43 0.29 -3.26 118.68 126.76 1piw s LEU 351 Ca 0.16 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1piw s LEU 351 Cb -0.20 -2.51 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1piw s LEU 351 CO -0.09 -2.96 0.26 0.68 0.23 0.00 0.00 176.35 174.48 1piw s VAL 352 N 12.19 1.86 0.00 -1.59 -7.23 -0.55 -1.88 120.40 123.20 1piw s VAL 352 Ca 0.93 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 1piw s VAL 352 Cb -0.16 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1piw s VAL 352 CO 0.23 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1piw n GLY 353 N -1.50 0.98 0.28 2.32 0.00 -1.26 -2.20 105.19 103.81 1piw n GLY 353 Ca -0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1piw n GLY 353 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1piw h TYR 354 N 0.00 -0.60 -0.79 1.61 0.05 -1.85 -3.22 116.97 112.17 1piw h TYR 354 Ca 0.00 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 58.95 1piw h TYR 354 Cb 0.44 0.20 -0.14 0.00 1.01 0.00 0.00 36.73 38.24 1piw h TYR 354 CO 0.00 -0.31 -0.03 0.38 -1.05 0.00 0.00 178.16 177.15 1piw h ASP 355 N -0.78 -0.44 -1.27 3.88 -0.00 -1.92 -2.30 116.42 113.59 1piw h ASP 355 Ca -0.07 0.21 -0.75 0.00 -0.00 0.00 0.00 57.03 56.43 1piw h ASP 355 Cb 0.56 0.39 -0.14 0.00 -0.00 0.00 0.00 39.33 40.13 1piw h ASP 355 CO 0.11 -0.21 2.27 2.29 -0.00 0.00 0.00 179.24 183.69 1piw n LYS 356 N -5.39 4.69 0.00 4.15 2.85 -1.21 -3.77 118.16 119.47 1piw n LYS 356 Ca 0.14 -3.60 0.00 0.00 -1.05 0.00 0.00 58.31 53.81 1piw n LYS 356 Cb 0.49 -2.62 0.00 0.00 -0.65 0.00 0.00 35.03 32.26 1piw n LYS 356 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1piw n GLU 357 N 1.54 0.00 -0.01 -1.58 4.07 -0.88 -4.98 120.64 118.81 1piw n GLU 357 Ca 0.61 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.80 1piw n GLU 357 Cb 0.25 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.48 1piw n GLU 357 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1piw n PHE 358 N -0.51 0.00 0.00 4.31 3.01 -1.13 -5.02 117.46 118.13 1piw n PHE 358 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1piw n PHE 358 Cb 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 1piw n PHE 358 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1piw n SER 359 N -2.06 0.00 0.00 4.37 3.41 -1.25 -5.12 113.62 112.97 1piw n SER 359 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1piw n SER 359 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1piw n SER 359 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35