#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia2 s THR 2 N 0.00 0.11 0.14 0.44 -4.23 -1.26 -1.10 115.64 109.74 3ia2 s THR 2 Ca 0.00 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3ia2 s THR 2 Cb 0.00 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 3ia2 s THR 2 CO 0.00 -0.52 0.08 0.72 -0.54 0.00 0.00 174.62 174.36 3ia2 s PHE 3 N -2.55 0.86 -0.18 3.99 -0.12 -0.91 -4.98 117.98 114.09 3ia2 s PHE 3 Ca -0.05 -1.22 -0.02 0.00 -0.05 0.00 0.00 56.93 55.58 3ia2 s PHE 3 Cb -0.01 -0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 41.91 3ia2 s PHE 3 CO -0.04 -0.54 -0.09 0.08 -0.05 0.00 0.00 175.22 174.58 3ia2 s VAL 4 N -4.05 3.14 0.88 -2.49 1.01 -1.26 -0.19 120.40 117.44 3ia2 s VAL 4 Ca 0.25 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 3ia2 s VAL 4 Cb 0.07 -2.38 0.12 0.00 0.00 0.00 0.00 36.38 34.19 3ia2 s VAL 4 CO 0.03 0.47 1.11 0.00 0.00 0.00 0.00 175.10 176.71 3ia2 s ALA 5 N 1.05 1.80 0.29 5.51 0.00 0.59 -4.88 121.76 126.13 3ia2 s ALA 5 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3ia2 s ALA 5 Cb -0.15 -3.08 0.71 0.00 0.00 0.00 0.00 23.12 20.60 3ia2 s ALA 5 CO -0.01 -2.18 1.65 -0.22 0.00 0.00 0.00 175.76 175.00 3ia2 h LYS 6 N -1.42 0.22 -0.12 0.00 3.64 -1.95 0.34 116.57 117.28 3ia2 h LYS 6 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3ia2 h LYS 6 Cb 1.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3ia2 h LYS 6 CO 0.60 0.15 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 3ia2 n ASP 7 N -5.20 0.91 0.00 4.20 5.75 -1.26 -4.86 116.55 116.09 3ia2 n ASP 7 Ca 0.21 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 3ia2 n ASP 7 Cb 0.68 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 3ia2 n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ia2 n GLY 8 N 0.92 0.67 3.65 6.12 0.00 0.11 -5.05 105.19 111.60 3ia2 n GLY 8 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3ia2 n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ia2 s THR 9 N -2.11 4.41 0.01 2.61 2.01 -1.25 -4.77 115.64 116.55 3ia2 s THR 9 Ca 0.00 1.65 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 3ia2 s THR 9 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 3ia2 s THR 9 CO 0.00 -0.32 1.07 -1.58 -0.69 0.00 0.00 174.62 173.10 3ia2 s GLN 10 N 3.63 4.49 -0.15 4.92 0.74 -1.26 -0.30 119.66 131.73 3ia2 s GLN 10 Ca 0.50 1.55 -0.01 0.00 0.05 0.00 0.00 55.36 57.44 3ia2 s GLN 10 Cb -0.16 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 3ia2 s GLN 10 CO 0.15 -0.16 -0.11 0.42 -0.55 0.00 0.00 175.29 175.04 3ia2 s ILE 11 N 1.19 3.14 0.15 -2.34 -1.09 0.74 -1.07 121.20 121.91 3ia2 s ILE 11 Ca 0.54 -0.61 -0.24 0.00 -2.23 0.00 0.00 60.65 58.11 3ia2 s ILE 11 Cb -0.24 -2.35 -0.08 0.00 -1.58 0.00 0.00 42.46 38.22 3ia2 s ILE 11 CO 0.27 0.50 0.74 -0.47 -1.23 0.00 0.00 174.94 174.75 3ia2 s TYR 12 N 0.65 3.89 0.11 3.97 5.04 -1.26 -2.15 117.35 127.60 3ia2 s TYR 12 Ca -0.06 1.57 -0.11 0.00 -2.44 0.00 0.00 57.07 56.03 3ia2 s TYR 12 Cb -0.15 -2.72 0.01 0.00 0.35 0.00 0.00 41.96 39.45 3ia2 s TYR 12 CO 0.02 0.52 0.27 -0.59 -1.34 0.00 0.00 175.55 174.44 3ia2 s PHE 13 N -1.11 0.10 -0.06 4.97 -0.71 -0.26 -0.56 117.98 120.34 3ia2 s PHE 13 Ca 0.35 -0.49 0.04 0.00 -1.04 0.00 0.00 56.93 55.79 3ia2 s PHE 13 Cb -0.22 0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.60 3ia2 s PHE 13 CO 0.25 -0.63 -0.17 0.15 -1.34 0.00 0.00 175.22 173.48 3ia2 s LYS 14 N -3.87 2.62 -0.28 1.99 1.02 0.49 -1.35 119.74 120.35 3ia2 s LYS 14 Ca 0.07 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3ia2 s LYS 14 Cb 0.04 -2.35 0.09 0.00 -0.52 0.00 0.00 37.83 35.08 3ia2 s LYS 14 CO -0.09 0.51 0.05 0.34 -0.92 0.00 0.00 175.35 175.24 3ia2 s ASP 15 N -0.45 3.97 -0.04 2.83 -1.08 -1.26 -1.58 116.67 119.06 3ia2 s ASP 15 Ca 0.05 -1.51 0.04 0.00 -0.52 0.00 0.00 52.55 50.61 3ia2 s ASP 15 Cb -0.12 -1.03 -0.02 0.00 -1.46 0.00 0.00 42.92 40.29 3ia2 s ASP 15 CO 0.02 -0.35 -0.16 0.26 0.52 0.00 0.00 175.17 175.45 3ia2 s TRP 16 N 1.48 2.63 0.00 -5.34 0.51 0.49 -4.98 118.94 113.73 3ia2 s TRP 16 Ca 0.05 -0.21 0.00 0.00 -2.12 0.00 0.00 56.10 53.82 3ia2 s TRP 16 Cb -0.18 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 30.87 3ia2 s TRP 16 CO -0.16 0.14 0.00 0.41 -0.51 0.00 0.00 176.95 176.83 3ia2 n GLY 17 N 2.34 -1.65 3.20 0.98 0.00 -1.26 -0.54 105.19 108.27 3ia2 n GLY 17 Ca -0.17 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 3ia2 n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ia2 s SER 18 N -4.00 0.17 0.00 1.61 1.04 -1.24 -4.71 113.70 106.56 3ia2 s SER 18 Ca 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3ia2 s SER 18 Cb 0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3ia2 s SER 18 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 3ia2 n GLY 19 N -0.05 0.03 3.74 7.32 0.00 -1.26 -2.87 105.19 112.11 3ia2 n GLY 19 Ca -0.14 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.20 3ia2 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia2 s LYS 20 N 0.00 4.15 0.22 1.61 1.02 -1.26 -4.05 119.74 121.42 3ia2 s LYS 20 Ca 0.00 2.53 -0.27 0.00 0.02 0.00 0.00 55.97 58.25 3ia2 s LYS 20 Cb 0.00 -3.05 -0.09 0.00 -0.52 0.00 0.00 37.83 34.17 3ia2 s LYS 20 CO 0.00 -0.62 0.86 -1.25 -0.92 0.00 0.00 175.35 173.42 3ia2 s PRO 21 N -0.18 4.67 -0.17 -1.68 0.04 -1.26 -1.77 135.00 134.66 3ia2 s PRO 21 Ca 0.65 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3ia2 s PRO 21 Cb -0.47 -3.18 0.03 0.00 0.04 0.00 0.00 34.50 30.92 3ia2 s PRO 21 CO 0.44 0.50 -0.12 0.08 0.04 0.00 0.00 177.00 177.94 3ia2 s VAL 22 N -1.25 1.55 -0.20 -0.36 1.01 0.12 -1.74 120.40 119.54 3ia2 s VAL 22 Ca 0.40 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3ia2 s VAL 22 Cb -0.23 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3ia2 s VAL 22 CO 0.28 0.33 0.00 -0.22 0.00 0.00 0.00 175.10 175.49 3ia2 s LEU 23 N 1.47 3.29 -0.12 3.92 0.20 -0.22 -0.91 118.68 126.31 3ia2 s LEU 23 Ca 0.02 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.63 3ia2 s LEU 23 Cb -0.14 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 3ia2 s LEU 23 CO -0.10 0.08 0.02 -0.36 -0.29 0.00 0.00 176.35 175.70 3ia2 s PHE 24 N 0.92 3.19 -0.23 5.38 0.40 0.53 -0.60 117.98 127.57 3ia2 s PHE 24 Ca 0.01 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.47 3ia2 s PHE 24 Cb -0.14 -1.89 0.05 0.00 0.51 0.00 0.00 43.02 41.54 3ia2 s PHE 24 CO 0.02 0.34 -0.13 0.45 0.70 0.00 0.00 175.22 176.60 3ia2 s SER 25 N -0.41 3.89 0.84 1.36 0.15 0.93 -3.83 113.70 116.63 3ia2 s SER 25 Ca 0.08 -1.11 -0.12 0.00 0.70 0.00 0.00 55.95 55.50 3ia2 s SER 25 Cb -0.12 -1.45 0.10 0.00 -1.71 0.00 0.00 66.02 62.84 3ia2 s SER 25 CO 0.02 -0.14 1.13 -1.38 1.20 0.00 0.00 173.24 174.07 3ia2 s HIS 26 N 1.22 2.76 0.08 3.44 -3.43 -1.26 -1.67 115.29 116.43 3ia2 s HIS 26 Ca -0.04 0.92 -0.01 0.00 -0.80 0.00 0.00 55.06 55.13 3ia2 s HIS 26 Cb -0.18 -3.32 0.02 0.00 -1.43 0.00 0.00 32.58 27.67 3ia2 s HIS 26 CO -0.08 -1.99 0.11 0.41 -2.00 0.00 0.00 174.74 171.19 3ia2 n GLY 27 N -2.49 -0.02 3.77 -1.38 0.00 -1.20 -3.38 105.19 100.49 3ia2 n GLY 27 Ca 0.07 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3ia2 n GLY 27 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3ia2 s TRP 28 N -0.58 2.99 0.00 1.61 -0.00 -1.26 -3.35 118.94 118.36 3ia2 s TRP 28 Ca 0.07 1.36 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 3ia2 s TRP 28 Cb -0.00 -3.73 0.00 0.00 -0.00 0.00 0.00 33.47 29.74 3ia2 s TRP 28 CO 0.05 -2.04 0.00 1.28 -0.00 0.00 0.00 176.95 176.23 3ia2 n LEU 29 N 0.88 0.00 0.00 5.86 4.77 -1.26 -4.96 117.00 122.29 3ia2 n LEU 29 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3ia2 n LEU 29 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ia2 n LEU 29 CO 0.60 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.84 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.21 -3.31 117.00 119.48 3ia2 n LEU 30 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ia2 n LEU 30 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ia2 n LEU 30 CO 0.00 -0.16 0.00 -0.90 -1.33 0.00 0.00 177.39 175.00 3ia2 n ASP 31 N -0.96 0.00 0.25 -1.43 5.68 -1.26 -4.39 116.55 114.45 3ia2 n ASP 31 Ca 0.00 -0.57 0.18 0.00 -0.50 0.00 0.00 54.79 53.90 3ia2 n ASP 31 Cb 0.00 0.00 0.91 0.00 -1.14 0.00 0.00 41.12 40.89 3ia2 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ia2 h ALA 32 N 1.75 1.58 0.00 2.12 0.00 -1.90 -1.83 119.26 120.98 3ia2 h ALA 32 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 32 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ia2 h ALA 32 CO 0.00 -0.21 -0.04 -0.44 0.00 0.00 0.00 179.25 178.56 3ia2 h ASP 33 N 0.00 0.00 0.18 0.00 5.19 -1.95 -1.99 116.42 117.85 3ia2 h ASP 33 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3ia2 h ASP 33 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3ia2 h ASP 33 CO -0.00 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.16 3ia2 h MET 34 N 0.00 0.00 -0.16 3.56 -0.00 -1.74 -2.02 114.93 114.57 3ia2 h MET 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ia2 h MET 34 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 3ia2 h MET 34 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.83 3ia2 n TRP 35 N -2.88 0.18 -0.33 -0.10 7.02 -0.75 -4.65 117.44 115.93 3ia2 n TRP 35 Ca -0.02 -0.09 0.10 0.00 -1.02 0.00 0.00 57.50 56.47 3ia2 n TRP 35 Cb 0.10 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.27 3ia2 n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3ia2 h GLU 36 N 4.56 0.70 -0.23 -0.99 4.11 -1.49 -0.12 114.58 121.12 3ia2 h GLU 36 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.20 3ia2 h GLU 36 Cb 0.98 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3ia2 h GLU 36 CO 0.00 0.46 -0.62 1.88 0.07 0.00 0.00 179.01 180.81 3ia2 h TYR 37 N 0.72 0.99 -0.49 2.06 0.05 -1.84 -1.88 116.97 116.58 3ia2 h TYR 37 Ca 0.53 -0.38 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 3ia2 h TYR 37 Cb 0.78 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.32 3ia2 h TYR 37 CO -0.04 1.19 -0.14 1.96 -1.05 0.00 0.00 178.16 180.08 3ia2 h GLN 38 N 0.57 0.92 -0.25 4.88 7.50 -1.60 -1.67 115.11 125.46 3ia2 h GLN 38 Ca -0.01 -0.34 -0.02 0.00 0.50 0.00 0.00 58.65 58.78 3ia2 h GLN 38 Cb 1.22 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.68 3ia2 h GLN 38 CO 0.13 1.00 0.08 0.52 -1.50 0.00 0.00 178.83 179.06 3ia2 h MET 39 N 0.82 0.40 -0.60 1.46 2.86 -0.99 -1.16 114.93 117.72 3ia2 h MET 39 Ca 0.13 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 3ia2 h MET 39 Cb 0.68 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3ia2 h MET 39 CO 0.05 0.47 0.11 1.49 1.06 0.00 0.00 176.91 180.10 3ia2 h GLU 40 N 0.25 0.98 -0.07 1.72 4.22 -1.34 0.37 114.58 120.71 3ia2 h GLU 40 Ca 0.08 -0.25 0.01 0.00 0.08 0.00 0.00 59.36 59.28 3ia2 h GLU 40 Cb 0.24 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ia2 h GLU 40 CO -0.00 0.92 0.01 -0.92 -2.18 0.00 0.00 179.01 176.83 3ia2 h TYR 41 N 0.89 0.01 0.01 0.92 3.20 -1.14 -1.65 116.97 119.20 3ia2 h TYR 41 Ca 0.18 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.79 3ia2 h TYR 41 Cb 0.40 0.01 0.02 0.00 1.54 0.00 0.00 36.73 38.69 3ia2 h TYR 41 CO 0.03 0.00 -1.06 -0.07 -1.64 0.00 0.00 178.16 175.42 3ia2 h LEU 42 N 0.03 0.91 -1.30 2.82 3.38 -1.14 -3.24 115.31 116.77 3ia2 h LEU 42 Ca 0.03 -0.73 -0.02 0.00 0.09 0.00 0.00 57.88 57.25 3ia2 h LEU 42 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ia2 h LEU 42 CO -0.05 1.54 -0.09 0.28 0.09 0.00 0.00 178.44 180.21 3ia2 h SER 43 N 0.39 0.00 -0.01 -0.43 0.02 -0.91 -0.69 113.55 111.92 3ia2 h SER 43 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3ia2 h SER 43 Cb 1.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.25 3ia2 h SER 43 CO 0.21 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.45 3ia2 n SER 44 N -3.23 0.54 -1.00 3.07 3.41 -0.62 -3.78 113.62 112.01 3ia2 n SER 44 Ca 0.00 -1.19 0.05 0.00 -0.26 0.00 0.00 58.87 57.48 3ia2 n SER 44 Cb 0.36 -0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.43 3ia2 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ia2 n ARG 45 N -0.58 0.95 -0.24 4.33 1.74 -0.30 -4.99 116.66 117.58 3ia2 n ARG 45 Ca 0.22 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 3ia2 n ARG 45 Cb 0.20 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 3ia2 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ia2 n GLY 46 N -0.44 0.87 3.47 -0.13 0.00 -1.14 -5.01 105.19 102.81 3ia2 n GLY 46 Ca 0.14 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3ia2 n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ia2 s TYR 47 N -2.00 2.41 -0.19 1.61 2.02 -0.98 -4.29 117.35 115.93 3ia2 s TYR 47 Ca 0.00 -0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 3ia2 s TYR 47 Cb 0.00 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3ia2 s TYR 47 CO 0.00 0.49 0.34 0.50 -1.57 0.00 0.00 175.55 175.30 3ia2 s ARG 48 N -2.65 4.19 -0.06 -0.62 3.52 -0.73 -3.74 118.95 118.87 3ia2 s ARG 48 Ca 0.21 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.98 3ia2 s ARG 48 Cb -0.08 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 3ia2 s ARG 48 CO 0.11 0.07 -0.20 0.95 -0.81 0.00 0.00 175.30 175.42 3ia2 s THR 49 N 0.99 2.50 -0.03 4.11 -4.23 0.30 0.14 115.64 119.42 3ia2 s THR 49 Ca 0.17 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 3ia2 s THR 49 Cb -0.14 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3ia2 s THR 49 CO 0.06 0.57 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.97 3ia2 s ILE 50 N -0.35 0.97 -0.11 2.99 1.09 -0.09 -0.38 121.20 125.33 3ia2 s ILE 50 Ca 0.02 -0.46 -0.07 0.00 -1.10 0.00 0.00 60.65 59.04 3ia2 s ILE 50 Cb -0.12 -0.85 0.04 0.00 -1.06 0.00 0.00 42.46 40.47 3ia2 s ILE 50 CO 0.02 0.29 0.27 0.00 -0.10 0.00 0.00 174.94 175.42 3ia2 s ALA 51 N 0.13 -0.63 0.27 9.38 0.00 -0.61 -0.35 121.76 129.95 3ia2 s ALA 51 Ca -0.03 0.95 0.10 0.00 0.00 0.00 0.00 51.96 52.98 3ia2 s ALA 51 Cb -0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 3ia2 s ALA 51 CO 0.01 -0.18 -0.05 -0.59 0.00 0.00 0.00 175.76 174.95 3ia2 s PHE 52 N 0.86 2.59 -0.29 0.00 -0.71 -1.25 -0.38 117.98 118.80 3ia2 s PHE 52 Ca -0.06 -0.25 -0.19 0.00 -1.04 0.00 0.00 56.93 55.40 3ia2 s PHE 52 Cb -0.07 -1.14 -0.02 0.00 -1.21 0.00 0.00 43.02 40.58 3ia2 s PHE 52 CO -0.06 0.64 0.55 -0.51 -1.34 0.00 0.00 175.22 174.51 3ia2 s ASP 53 N -3.62 6.43 0.54 1.98 1.01 0.27 -3.77 116.67 119.52 3ia2 s ASP 53 Ca 0.31 0.40 -0.21 0.00 0.71 0.00 0.00 52.55 53.77 3ia2 s ASP 53 Cb -0.06 -2.29 -0.06 0.00 1.01 0.00 0.00 42.92 41.51 3ia2 s ASP 53 CO 0.19 -0.37 1.04 -1.14 0.21 0.00 0.00 175.17 175.09 3ia2 n ARG 54 N 5.67 1.17 -1.59 8.23 0.63 -1.26 -4.38 116.66 125.14 3ia2 n ARG 54 Ca -0.03 0.44 -0.50 0.00 -0.92 0.00 0.00 57.85 56.83 3ia2 n ARG 54 Cb 0.49 -2.20 -0.05 0.00 0.45 0.00 0.00 32.46 31.15 3ia2 n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3ia2 n ARG 55 N -0.67 1.18 -0.48 -0.14 1.85 -1.26 -0.91 116.66 116.22 3ia2 n ARG 55 Ca 0.12 0.42 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 3ia2 n ARG 55 Cb 0.45 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 3ia2 n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ia2 n GLY 56 N 2.26 0.85 3.27 2.89 0.00 0.00 -4.95 105.19 109.51 3ia2 n GLY 56 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3ia2 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ia2 s PHE 57 N -3.01 1.49 0.00 1.61 0.40 -0.09 -0.37 117.98 118.01 3ia2 s PHE 57 Ca 0.00 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 3ia2 s PHE 57 Cb 0.00 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3ia2 s PHE 57 CO 0.00 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.53 3ia2 n GLY 58 N 0.21 3.32 0.94 4.36 0.00 -1.26 -1.77 105.19 110.99 3ia2 n GLY 58 Ca -0.13 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3ia2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ia2 n ARG 59 N 14.00 2.24 -2.12 1.61 1.74 -1.26 -4.62 116.66 128.25 3ia2 n ARG 59 Ca 0.00 -1.86 -0.29 0.00 -0.77 0.00 0.00 57.85 54.93 3ia2 n ARG 59 Cb 0.00 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 3ia2 n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3ia2 s SER 60 N -1.61 5.65 0.99 0.55 0.01 -0.73 -4.59 113.70 113.96 3ia2 s SER 60 Ca 0.35 1.00 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 3ia2 s SER 60 Cb 0.21 -1.93 0.18 0.00 0.21 0.00 0.00 66.02 64.69 3ia2 s SER 60 CO 0.30 -1.13 1.09 -1.81 0.41 0.00 0.00 173.24 172.10 3ia2 s ASP 61 N -4.30 2.49 -0.71 2.44 1.01 -0.23 -4.56 116.67 112.81 3ia2 s ASP 61 Ca 0.55 1.75 0.05 0.00 0.71 0.00 0.00 52.55 55.62 3ia2 s ASP 61 Cb -0.11 -2.37 0.17 0.00 1.01 0.00 0.00 42.92 41.63 3ia2 s ASP 61 CO 0.49 -3.30 0.50 0.00 0.21 0.00 0.00 175.17 173.07 3ia2 n GLN 62 N -4.33 1.84 -2.44 8.23 6.02 -1.26 -0.82 117.38 124.62 3ia2 n GLN 62 Ca 0.07 -4.49 -0.36 0.00 -0.01 0.00 0.00 57.00 52.21 3ia2 n GLN 62 Cb 0.54 -2.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 3ia2 n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ia2 s PRO 63 N -1.48 3.92 0.17 -1.09 0.04 -1.26 -4.95 135.00 130.35 3ia2 s PRO 63 Ca 0.25 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 3ia2 s PRO 63 Cb -0.04 -2.38 0.05 0.00 0.04 0.00 0.00 34.50 32.17 3ia2 s PRO 63 CO -0.17 -0.36 1.43 2.35 0.04 0.00 0.00 177.00 180.28 3ia2 h TRP 64 N 2.10 0.55 -1.89 0.56 2.91 -2.00 -3.45 115.95 114.74 3ia2 h TRP 64 Ca -0.49 -0.25 -0.51 0.00 1.13 0.00 0.00 58.89 58.77 3ia2 h TRP 64 Cb 1.23 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.74 3ia2 h TRP 64 CO 0.56 1.01 -0.48 0.95 -1.03 0.00 0.00 178.44 179.45 3ia2 s THR 65 N -3.60 3.47 0.00 2.65 -4.23 -1.26 -4.71 115.64 107.97 3ia2 s THR 65 Ca -0.06 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3ia2 s THR 65 Cb 0.10 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.80 3ia2 s THR 65 CO 0.84 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.34 3ia2 n GLY 66 N -1.29 0.58 2.57 3.99 0.00 -1.26 -4.96 105.19 104.82 3ia2 n GLY 66 Ca -0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3ia2 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ia2 n ASN 67 N 0.28 6.47 -3.96 1.61 3.02 -1.26 -4.47 115.26 116.95 3ia2 n ASN 67 Ca 0.00 -2.85 -0.09 0.00 -0.03 0.00 0.00 54.58 51.61 3ia2 n ASN 67 Cb 0.00 -1.54 -0.08 0.00 -0.61 0.00 0.00 39.78 37.55 3ia2 n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3ia2 s ASP 68 N 1.94 0.15 0.33 6.41 1.47 -1.26 -4.58 116.67 121.13 3ia2 s ASP 68 Ca 0.55 -0.86 0.06 0.00 1.18 0.00 0.00 52.55 53.48 3ia2 s ASP 68 Cb 0.15 0.36 0.60 0.00 -0.34 0.00 0.00 42.92 43.69 3ia2 s ASP 68 CO -0.06 -0.78 1.82 1.88 0.68 0.00 0.00 175.17 178.70 3ia2 h TYR 69 N 2.72 0.39 -0.44 2.11 0.05 -1.93 0.24 116.97 120.11 3ia2 h TYR 69 Ca -0.33 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.38 3ia2 h TYR 69 Cb 1.21 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 3ia2 h TYR 69 CO 0.42 0.53 0.27 -0.44 -1.05 0.00 0.00 178.16 177.89 3ia2 h ASP 70 N 0.34 0.53 -0.34 3.88 3.32 -1.97 0.15 116.42 122.33 3ia2 h ASP 70 Ca 0.06 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3ia2 h ASP 70 Cb 0.51 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3ia2 h ASP 70 CO 0.03 0.43 -0.24 0.74 -1.72 0.00 0.00 179.24 178.48 3ia2 h THR 71 N 0.59 1.29 -0.78 0.35 2.02 -1.69 -2.04 112.91 112.64 3ia2 h THR 71 Ca 0.16 -1.39 0.08 0.00 0.77 0.00 0.00 66.41 66.03 3ia2 h THR 71 Cb -0.00 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 3ia2 h THR 71 CO -0.03 0.45 0.45 -0.26 0.37 0.00 0.00 175.52 176.50 3ia2 h PHE 72 N 0.55 0.82 -0.57 3.16 0.04 -0.77 0.48 116.94 120.65 3ia2 h PHE 72 Ca 0.07 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.79 3ia2 h PHE 72 Cb 0.80 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3ia2 h PHE 72 CO 0.06 0.37 0.06 0.00 -0.60 0.00 0.00 178.31 178.20 3ia2 h ALA 73 N 1.41 0.76 -0.03 2.45 0.00 -0.86 -2.32 119.26 120.68 3ia2 h ALA 73 Ca 0.36 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3ia2 h ALA 73 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ia2 h ALA 73 CO -0.21 0.55 -0.49 -0.44 0.00 0.00 0.00 179.25 178.66 3ia2 h ASP 74 N 0.87 0.07 -0.30 0.00 3.32 -0.83 -1.09 116.42 118.45 3ia2 h ASP 74 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3ia2 h ASP 74 Cb 0.47 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3ia2 h ASP 74 CO 0.02 0.55 0.20 0.44 -1.72 0.00 0.00 179.24 178.72 3ia2 h ASP 75 N 0.05 0.36 -0.79 6.45 3.32 -0.68 -0.68 116.42 124.45 3ia2 h ASP 75 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3ia2 h ASP 75 Cb 0.88 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 3ia2 h ASP 75 CO 0.07 0.27 0.42 0.40 -1.72 0.00 0.00 179.24 178.68 3ia2 h ILE 76 N 0.40 1.24 -0.57 0.35 2.04 -1.04 -1.53 117.51 118.40 3ia2 h ILE 76 Ca 0.11 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3ia2 h ILE 76 Cb -0.03 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 3ia2 h ILE 76 CO -0.02 0.27 0.32 0.00 0.00 0.00 0.00 178.15 178.71 3ia2 h ALA 77 N 1.22 0.75 -0.37 1.87 0.00 -0.87 -0.90 119.26 120.95 3ia2 h ALA 77 Ca 0.28 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3ia2 h ALA 77 Cb 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ia2 h ALA 77 CO -0.04 0.00 -0.13 1.96 0.00 0.00 0.00 179.25 181.04 3ia2 h GLN 78 N 0.61 0.66 -0.10 0.00 4.20 -0.61 -0.68 115.11 119.19 3ia2 h GLN 78 Ca 0.25 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3ia2 h GLN 78 Cb 0.11 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3ia2 h GLN 78 CO -0.14 0.76 0.02 1.25 -0.67 0.00 0.00 178.83 180.05 3ia2 h LEU 79 N 0.60 0.15 -0.78 1.46 5.85 -0.88 0.20 115.31 121.91 3ia2 h LEU 79 Ca 0.10 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3ia2 h LEU 79 Cb 0.56 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3ia2 h LEU 79 CO 0.04 0.35 0.49 0.40 -0.34 0.00 0.00 178.44 179.37 3ia2 h ILE 80 N -0.05 1.08 0.00 4.05 2.04 -0.96 -1.83 117.51 121.84 3ia2 h ILE 80 Ca 0.03 -0.32 -0.18 0.00 1.00 0.00 0.00 64.86 65.39 3ia2 h ILE 80 Cb 0.26 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3ia2 h ILE 80 CO 0.00 0.17 -0.83 -0.33 0.00 0.00 0.00 178.15 177.16 3ia2 h GLU 81 N 0.93 0.04 -0.97 2.37 5.08 -1.04 0.16 114.58 121.15 3ia2 h GLU 81 Ca 0.32 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 3ia2 h GLU 81 Cb 0.07 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3ia2 h GLU 81 CO -0.13 0.85 0.64 1.25 -1.00 0.00 0.00 179.01 180.61 3ia2 h HIS 82 N 0.02 1.21 -0.01 4.33 2.76 -0.14 -2.74 115.15 120.58 3ia2 h HIS 82 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3ia2 h HIS 82 Cb 1.46 -0.41 0.00 0.00 1.55 0.00 0.00 27.41 30.01 3ia2 h HIS 82 CO 0.01 0.75 -0.49 1.28 -1.30 0.00 0.00 177.93 178.17 3ia2 n LEU 83 N -4.42 1.57 -3.72 0.26 4.77 -0.73 -4.98 117.00 109.75 3ia2 n LEU 83 Ca 0.12 -0.56 -0.23 0.00 -0.03 0.00 0.00 56.01 55.30 3ia2 n LEU 83 Cb 0.03 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3ia2 n LEU 83 CO 0.36 0.30 0.00 -0.67 -1.33 0.00 0.00 177.39 176.06 3ia2 n ASP 84 N -0.44 -2.32 -4.77 -1.43 -0.08 0.41 -4.94 116.55 102.98 3ia2 n ASP 84 Ca 0.09 -0.78 -0.38 0.00 -1.51 0.00 0.00 54.79 52.21 3ia2 n ASP 84 Cb 0.41 -4.16 -0.03 0.00 2.34 0.00 0.00 41.12 39.68 3ia2 n ASP 84 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3ia2 s LEU 85 N -6.82 4.25 0.05 -2.67 1.43 -0.41 -5.02 118.68 109.48 3ia2 s LEU 85 Ca 0.18 2.18 0.01 0.00 -1.03 0.00 0.00 54.13 55.48 3ia2 s LEU 85 Cb -0.09 -4.01 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 3ia2 s LEU 85 CO 0.81 -0.47 -0.06 -0.54 0.23 0.00 0.00 176.35 176.32 3ia2 s LYS 86 N -2.19 0.52 -1.48 1.70 1.02 -1.26 -4.83 119.74 113.22 3ia2 s LYS 86 Ca 0.54 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 3ia2 s LYS 86 Cb -0.27 -0.11 0.07 0.00 -0.52 0.00 0.00 37.83 37.00 3ia2 s LYS 86 CO 0.34 -0.01 1.00 0.39 -0.92 0.00 0.00 175.35 176.15 3ia2 n GLU 87 N 1.12 -5.92 -2.69 1.68 1.02 -0.76 -4.52 120.64 110.58 3ia2 n GLU 87 Ca -0.21 0.64 -0.41 0.00 -0.02 0.00 0.00 57.16 57.17 3ia2 n GLU 87 Cb 0.56 -5.54 -0.05 0.00 -0.02 0.00 0.00 31.44 26.40 3ia2 n GLU 87 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3ia2 s VAL 88 N -3.34 4.25 -0.34 2.62 1.01 -0.05 -4.34 120.40 120.22 3ia2 s VAL 88 Ca 0.59 1.98 -0.13 0.00 0.00 0.00 0.00 61.98 64.42 3ia2 s VAL 88 Cb -0.29 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 3ia2 s VAL 88 CO 0.81 0.35 0.24 -0.89 0.00 0.00 0.00 175.10 175.61 3ia2 s THR 89 N -0.35 5.29 -0.06 3.92 2.01 -0.71 -0.29 115.64 125.45 3ia2 s THR 89 Ca 0.46 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 3ia2 s THR 89 Cb -0.25 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3ia2 s THR 89 CO 0.32 0.01 0.63 -0.76 -0.69 0.00 0.00 174.62 174.13 3ia2 s LEU 90 N 1.73 4.34 -0.12 4.42 1.43 -0.34 -1.05 118.68 129.08 3ia2 s LEU 90 Ca 0.06 1.12 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3ia2 s LEU 90 Cb -0.17 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.10 3ia2 s LEU 90 CO 0.11 -0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.86 3ia2 s VAL 91 N 0.49 1.22 -0.04 -1.59 1.01 0.23 0.11 120.40 121.83 3ia2 s VAL 91 Ca 0.34 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.95 3ia2 s VAL 91 Cb -0.17 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3ia2 s VAL 91 CO 0.16 0.40 -0.18 -0.83 0.00 0.00 0.00 175.10 174.65 3ia2 s GLY 92 N 1.58 0.96 -0.10 4.51 0.00 -0.38 -0.05 107.32 113.83 3ia2 s GLY 92 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3ia2 s GLY 92 CO -0.08 -0.47 -0.09 -0.12 0.00 0.00 0.00 173.10 172.33 3ia2 s PHE 93 N -0.12 2.87 0.00 1.90 5.36 -0.67 -0.37 117.98 126.96 3ia2 s PHE 93 Ca -0.01 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3ia2 s PHE 93 Cb -0.10 -1.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.79 3ia2 s PHE 93 CO 0.01 0.07 0.00 0.45 -1.46 0.00 0.00 175.22 174.30 3ia2 n SER 94 N 2.89 0.00 0.30 6.13 2.88 -0.24 -0.17 113.62 125.41 3ia2 n SER 94 Ca -0.18 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.56 3ia2 n SER 94 Cb 0.53 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 64.92 3ia2 n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ia2 h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.85 -2.03 114.93 109.59 3ia2 h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3ia2 h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3ia2 h MET 95 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.91 177.69 3ia2 h GLY 96 N 0.96 0.00 1.97 -3.00 0.00 -0.57 -1.77 103.07 100.66 3ia2 h GLY 96 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3ia2 h GLY 96 CO 0.00 0.00 -0.29 -1.33 0.00 0.00 0.00 176.54 174.92 3ia2 h GLY 97 N 2.80 0.04 0.81 4.60 0.00 -1.45 -3.18 103.07 106.69 3ia2 h GLY 97 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3ia2 h GLY 97 CO 0.00 0.03 -0.04 -1.33 0.00 0.00 0.00 176.54 175.20 3ia2 h GLY 98 N 0.90 0.42 2.00 4.60 0.00 -1.47 -2.71 103.07 106.81 3ia2 h GLY 98 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 3ia2 h GLY 98 CO 0.04 0.31 -0.64 1.29 0.00 0.00 0.00 176.54 177.54 3ia2 h ASP 99 N 0.12 0.00 -0.11 0.19 3.04 -1.62 -0.48 116.42 117.57 3ia2 h ASP 99 Ca 0.05 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.66 3ia2 h ASP 99 Cb 0.48 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.77 3ia2 h ASP 99 CO 0.02 0.64 -0.59 -0.37 -2.04 0.00 0.00 179.24 176.90 3ia2 h VAL 100 N 0.00 1.30 -0.28 4.15 -1.51 -1.63 -0.11 116.25 118.17 3ia2 h VAL 100 Ca -0.01 -1.81 -0.02 0.00 -1.23 0.00 0.00 66.70 63.63 3ia2 h VAL 100 Cb 1.26 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 3ia2 h VAL 100 CO 0.08 0.57 0.08 0.00 -1.23 0.00 0.00 177.57 177.08 3ia2 h ALA 101 N 0.80 0.37 0.00 5.19 0.00 -1.37 -2.69 119.26 121.56 3ia2 h ALA 101 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3ia2 h ALA 101 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ia2 h ALA 101 CO 0.12 0.01 -0.29 -0.09 0.00 0.00 0.00 179.25 179.00 3ia2 h ARG 102 N 0.29 0.00 -0.25 0.00 9.65 -1.07 -1.49 114.38 121.51 3ia2 h ARG 102 Ca 0.09 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3ia2 h ARG 102 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3ia2 h ARG 102 CO -0.00 0.29 0.14 -0.92 2.80 0.00 0.00 179.97 182.28 3ia2 h TYR 103 N 0.00 0.35 -0.46 2.20 3.20 -0.77 -0.86 116.97 120.63 3ia2 h TYR 103 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3ia2 h TYR 103 Cb 0.59 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3ia2 h TYR 103 CO 0.00 0.29 0.10 0.82 -1.64 0.00 0.00 178.16 177.74 3ia2 h ILE 104 N 0.30 1.24 -0.90 1.81 2.04 -1.14 0.14 117.51 121.00 3ia2 h ILE 104 Ca 0.09 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3ia2 h ILE 104 Cb 0.06 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 3ia2 h ILE 104 CO -0.01 0.30 0.60 0.00 0.00 0.00 0.00 178.15 179.03 3ia2 h ALA 105 N 0.97 1.40 0.00 1.87 0.00 -1.15 0.94 119.26 123.29 3ia2 h ALA 105 Ca 0.14 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.75 3ia2 h ALA 105 Cb 0.34 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3ia2 h ALA 105 CO 0.00 0.53 -1.57 0.00 0.00 0.00 0.00 179.25 178.22 3ia2 h ARG 106 N 1.17 0.00 0.00 0.00 3.08 -0.92 -3.40 114.38 114.31 3ia2 h ARG 106 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3ia2 h ARG 106 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ia2 h ARG 106 CO -0.09 0.49 0.00 0.72 -1.07 0.00 0.00 179.97 180.01 3ia2 n HIS 107 N -3.04 0.00 0.00 3.04 8.25 0.48 -5.09 115.22 118.86 3ia2 n HIS 107 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3ia2 n HIS 107 Cb 0.99 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 3ia2 n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ia2 n GLY 108 N 0.69 -1.06 0.81 -1.41 0.00 0.32 -4.73 105.19 99.81 3ia2 n GLY 108 Ca 0.00 -1.64 0.06 0.00 0.00 0.00 0.00 46.02 44.45 3ia2 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ia2 n SER 109 N -1.29 3.36 -0.30 1.61 3.41 -1.26 -4.54 113.62 114.61 3ia2 n SER 109 Ca 0.00 -3.18 0.06 0.00 -0.26 0.00 0.00 58.87 55.49 3ia2 n SER 109 Cb 0.00 -0.54 0.27 0.00 -0.26 0.00 0.00 64.21 63.67 3ia2 n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ia2 h ALA 110 N 1.35 1.57 -0.20 7.33 0.00 -1.98 -1.10 119.26 126.25 3ia2 h ALA 110 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ia2 h ALA 110 Cb 1.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ia2 h ALA 110 CO 0.22 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.26 3ia2 n ARG 111 N -4.52 2.02 -4.31 0.00 1.74 -1.26 -4.75 116.66 105.58 3ia2 n ARG 111 Ca 0.15 -1.53 -0.34 0.00 -0.77 0.00 0.00 57.85 55.36 3ia2 n ARG 111 Cb 0.27 -1.45 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 3ia2 n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ia2 s VAL 112 N -1.76 4.13 -0.10 1.55 1.01 -0.42 -0.87 120.40 123.95 3ia2 s VAL 112 Ca 0.34 -0.28 0.19 0.00 0.00 0.00 0.00 61.98 62.23 3ia2 s VAL 112 Cb 0.20 -2.81 -0.28 0.00 0.00 0.00 0.00 36.38 33.49 3ia2 s VAL 112 CO 0.29 0.50 0.28 0.00 0.00 0.00 0.00 175.10 176.16 3ia2 n ALA 113 N 3.40 2.21 -3.63 5.51 0.00 0.60 -4.77 120.51 123.82 3ia2 n ALA 113 Ca -0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 53.44 52.43 3ia2 n ALA 113 Cb 0.52 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 3ia2 n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ia2 s GLY 114 N -4.77 -0.36 -0.01 0.00 0.00 -1.19 -4.29 107.32 96.69 3ia2 s GLY 114 Ca -0.08 0.81 0.01 0.00 0.00 0.00 0.00 44.72 45.45 3ia2 s GLY 114 CO 0.81 0.21 -0.03 -2.27 0.00 0.00 0.00 173.10 171.82 3ia2 s LEU 115 N -2.75 1.68 -0.10 0.66 2.96 -0.34 -1.20 118.68 119.60 3ia2 s LEU 115 Ca 0.12 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 3ia2 s LEU 115 Cb 0.02 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.50 3ia2 s LEU 115 CO -0.03 -0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.17 3ia2 s VAL 116 N 0.35 1.32 -0.29 1.68 1.01 0.12 -0.90 120.40 123.69 3ia2 s VAL 116 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3ia2 s VAL 116 Cb -0.07 -1.22 0.05 0.00 0.00 0.00 0.00 36.38 35.14 3ia2 s VAL 116 CO -0.01 0.40 -0.02 -0.76 0.00 0.00 0.00 175.10 174.72 3ia2 s LEU 117 N 1.04 3.80 -0.28 3.92 1.43 -0.15 -1.25 118.68 127.18 3ia2 s LEU 117 Ca -0.06 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 51.67 3ia2 s LEU 117 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3ia2 s LEU 117 CO -0.02 -0.24 0.09 -0.76 0.23 0.00 0.00 176.35 175.65 3ia2 s LEU 118 N 1.22 3.71 -1.75 1.79 1.43 0.51 -1.21 118.68 124.39 3ia2 s LEU 118 Ca -0.06 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 3ia2 s LEU 118 Cb -0.20 -1.92 0.17 0.00 0.03 0.00 0.00 46.19 44.28 3ia2 s LEU 118 CO -0.02 -0.13 0.65 0.61 0.23 0.00 0.00 176.35 177.70 3ia2 n GLY 119 N 4.91 -0.40 3.87 -3.19 0.00 0.13 -1.08 105.19 109.44 3ia2 n GLY 119 Ca -0.15 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3ia2 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia2 s ALA 120 N -3.37 3.24 -0.94 4.61 0.00 -1.26 -3.05 121.76 120.99 3ia2 s ALA 120 Ca 0.70 -0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.77 3ia2 s ALA 120 Cb -0.39 -2.86 1.02 0.00 0.00 0.00 0.00 23.12 20.89 3ia2 s ALA 120 CO 0.97 -0.24 1.78 1.33 0.00 0.00 0.00 175.76 179.60 3ia2 n VAL 121 N -1.78 0.36 -2.00 0.00 0.24 -0.98 -4.32 118.33 109.87 3ia2 n VAL 121 Ca 0.04 0.04 -0.37 0.00 -2.04 0.00 0.00 64.34 62.00 3ia2 n VAL 121 Cb 0.54 -0.67 0.02 0.00 -1.47 0.00 0.00 33.84 32.26 3ia2 n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ia2 s THR 122 N -3.03 2.54 -0.63 3.34 -4.23 -1.26 -2.30 115.64 110.07 3ia2 s THR 122 Ca 0.11 0.40 0.24 0.00 -1.18 0.00 0.00 61.69 61.26 3ia2 s THR 122 Cb 0.15 -3.19 0.11 0.00 1.34 0.00 0.00 72.50 70.91 3ia2 s THR 122 CO 0.46 -0.02 1.42 1.55 -0.54 0.00 0.00 174.62 177.50 3ia2 h PRO 123 N 1.58 0.00 -1.70 3.99 0.13 -1.82 -3.29 132.00 130.89 3ia2 h PRO 123 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3ia2 h PRO 123 Cb 1.28 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.19 3ia2 h PRO 123 CO 0.58 0.00 0.43 -0.48 -0.23 0.00 0.00 178.00 178.30 3ia2 s LEU 124 N -4.42 -0.46 -0.09 1.56 2.34 -0.97 -0.02 118.68 116.61 3ia2 s LEU 124 Ca 0.07 0.52 -0.11 0.00 0.06 0.00 0.00 54.13 54.67 3ia2 s LEU 124 Cb 0.13 2.07 -0.04 0.00 -0.56 0.00 0.00 46.19 47.79 3ia2 s LEU 124 CO 0.69 -0.42 -0.21 0.33 -1.06 0.00 0.00 176.35 175.69 3ia2 n PHE 125 N 0.83 0.00 -2.00 3.48 -0.00 -1.21 -4.66 117.46 113.90 3ia2 n PHE 125 Ca -0.13 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.04 3ia2 n PHE 125 Cb 0.58 -0.29 0.07 0.00 -0.00 0.00 0.00 39.48 39.83 3ia2 n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ia2 s GLY 126 N -4.28 1.62 0.44 7.13 0.00 -0.86 -1.70 107.32 109.68 3ia2 s GLY 126 Ca -0.17 -0.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.67 3ia2 s GLY 126 CO 0.25 -0.21 1.38 1.20 0.00 0.00 0.00 173.10 175.73 3ia2 s GLN 127 N -5.40 3.74 0.27 2.90 -0.21 -0.14 -4.44 119.66 116.38 3ia2 s GLN 127 Ca 0.60 2.32 0.02 0.00 0.02 0.00 0.00 55.36 58.32 3ia2 s GLN 127 Cb -0.11 -2.66 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 3ia2 s GLN 127 CO 0.49 -0.73 0.07 0.15 -2.12 0.00 0.00 175.29 173.14 3ia2 s LYS 128 N -2.42 1.45 0.28 2.91 -0.14 -0.95 -4.91 119.74 115.96 3ia2 s LYS 128 Ca 0.60 -1.78 0.01 0.00 -1.36 0.00 0.00 55.97 53.45 3ia2 s LYS 128 Cb -0.41 -0.48 0.57 0.00 -1.68 0.00 0.00 37.83 35.83 3ia2 s LYS 128 CO 0.53 -0.23 1.82 -1.35 -0.76 0.00 0.00 175.35 175.36 3ia2 h PRO 129 N 2.34 0.89 -0.65 -1.68 0.11 -2.02 0.69 132.00 131.68 3ia2 h PRO 129 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ia2 h PRO 129 Cb 1.24 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ia2 h PRO 129 CO 0.64 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 178.62 3ia2 n ASP 130 N -4.67 3.94 -3.19 -2.05 5.75 -1.26 -4.45 116.55 110.62 3ia2 n ASP 130 Ca 0.19 -2.21 -0.19 0.00 -0.01 0.00 0.00 54.79 52.57 3ia2 n ASP 130 Cb 0.39 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3ia2 n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ia2 n TYR 131 N 1.19 0.06 0.29 2.11 9.36 0.23 -4.92 117.16 125.47 3ia2 n TYR 131 Ca 0.23 -3.76 0.13 0.00 3.32 0.00 0.00 57.90 57.81 3ia2 n TYR 131 Cb 0.69 -0.39 0.59 0.00 -0.63 0.00 0.00 39.34 39.60 3ia2 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ia2 h PRO 132 N 3.17 0.00 0.00 2.98 0.13 -1.75 -2.09 132.00 134.44 3ia2 h PRO 132 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ia2 h PRO 132 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3ia2 h PRO 132 CO 0.49 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 3ia2 n GLN 133 N -2.36 0.03 -0.86 0.86 0.00 -1.26 -4.84 117.38 108.95 3ia2 n GLN 133 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 57.00 56.79 3ia2 n GLN 133 Cb 0.15 -1.54 0.25 0.00 0.00 0.00 0.00 30.24 29.09 3ia2 n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3ia2 s GLY 134 N -3.08 1.53 -0.06 2.61 0.00 -0.83 -4.95 107.32 102.55 3ia2 s GLY 134 Ca 0.12 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.71 3ia2 s GLY 134 CO 0.47 0.06 1.12 0.14 0.00 0.00 0.00 173.10 174.89 3ia2 s VAL 135 N -2.78 4.46 0.36 1.40 1.01 -0.69 -4.37 120.40 119.80 3ia2 s VAL 135 Ca 0.70 1.76 -0.27 0.00 0.00 0.00 0.00 61.98 64.17 3ia2 s VAL 135 Cb -0.12 -4.13 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 3ia2 s VAL 135 CO 0.57 0.03 1.22 -2.65 0.00 0.00 0.00 175.10 174.26 3ia2 n PRO 136 N 4.90 1.90 0.27 2.72 -0.02 -1.26 -0.96 135.00 142.56 3ia2 n PRO 136 Ca 0.10 0.67 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 3ia2 n PRO 136 Cb 0.47 -2.24 0.73 0.00 -0.02 0.00 0.00 33.50 32.45 3ia2 n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ia2 h LEU 137 N 2.28 0.00 -1.77 2.45 3.38 -1.93 -2.39 115.31 117.32 3ia2 h LEU 137 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 3ia2 h LEU 137 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3ia2 h LEU 137 CO 0.61 0.08 -0.07 -0.78 0.09 0.00 0.00 178.44 178.36 3ia2 h ASP 138 N 0.00 0.00 -0.39 -0.43 3.58 -1.98 -0.58 116.42 116.62 3ia2 h ASP 138 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3ia2 h ASP 138 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 3ia2 h ASP 138 CO 0.01 0.07 0.09 0.58 -2.88 0.00 0.00 179.24 177.11 3ia2 h VAL 139 N 0.00 1.23 -0.01 2.25 2.07 -1.79 -1.85 116.25 118.15 3ia2 h VAL 139 Ca -0.00 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.54 3ia2 h VAL 139 Cb 0.43 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3ia2 h VAL 139 CO 0.01 0.27 -0.82 -0.26 0.02 0.00 0.00 177.57 176.79 3ia2 h PHE 140 N 0.48 0.32 -0.78 1.57 0.04 -1.51 -2.33 116.94 114.73 3ia2 h PHE 140 Ca 0.12 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.74 3ia2 h PHE 140 Cb 0.32 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3ia2 h PHE 140 CO 0.02 0.95 0.52 0.00 -0.60 0.00 0.00 178.31 179.19 3ia2 h ALA 141 N 1.00 1.48 -0.16 2.45 0.00 -1.05 -1.64 119.26 121.33 3ia2 h ALA 141 Ca -0.04 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3ia2 h ALA 141 Cb 1.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ia2 h ALA 141 CO 0.13 0.47 -0.60 0.00 0.00 0.00 0.00 179.25 179.25 3ia2 h ARG 142 N 1.02 0.54 -0.17 0.00 3.08 -1.10 -1.51 114.38 116.23 3ia2 h ARG 142 Ca 0.29 -0.37 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3ia2 h ARG 142 Cb -0.06 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.98 3ia2 h ARG 142 CO -0.07 0.98 -0.25 0.74 -1.07 0.00 0.00 179.97 180.30 3ia2 h PHE 143 N 0.40 -0.67 -0.68 3.04 -1.00 -0.91 -1.78 116.94 115.34 3ia2 h PHE 143 Ca -0.00 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.82 3ia2 h PHE 143 Cb 1.16 0.32 -0.04 0.00 3.61 0.00 0.00 35.95 41.00 3ia2 h PHE 143 CO 0.05 -0.33 0.44 0.87 -1.61 0.00 0.00 178.31 177.73 3ia2 h LYS 144 N -0.29 0.87 -0.57 1.51 1.57 -1.09 0.12 116.57 118.69 3ia2 h LYS 144 Ca 0.11 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3ia2 h LYS 144 Cb 0.47 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3ia2 h LYS 144 CO -0.34 0.58 0.37 1.15 -0.57 0.00 0.00 179.45 180.63 3ia2 h THR 145 N 0.90 1.12 -0.35 -0.16 2.02 -1.02 -0.86 112.91 114.56 3ia2 h THR 145 Ca 0.26 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 3ia2 h THR 145 Cb -0.07 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3ia2 h THR 145 CO -0.07 0.14 -0.45 -0.33 0.37 0.00 0.00 175.52 175.18 3ia2 h GLU 146 N 0.74 0.91 -0.49 6.66 4.39 -0.92 -3.01 114.58 122.87 3ia2 h GLU 146 Ca 0.22 -0.52 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 3ia2 h GLU 146 Cb -0.05 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3ia2 h GLU 146 CO -0.06 1.16 0.19 -0.07 -1.16 0.00 0.00 179.01 179.07 3ia2 h LEU 147 N 0.73 0.63 -0.16 1.33 3.38 -0.73 -0.60 115.31 119.89 3ia2 h LEU 147 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ia2 h LEU 147 Cb 1.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3ia2 h LEU 147 CO 0.11 0.57 -0.00 0.18 0.09 0.00 0.00 178.44 179.39 3ia2 n LEU 148 N -4.35 0.26 -0.11 1.67 4.77 -0.35 -2.82 117.00 116.06 3ia2 n LEU 148 Ca 0.04 -0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 3ia2 n LEU 148 Cb 0.15 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 3ia2 n LEU 148 CO 0.38 0.04 -1.23 0.29 -1.33 0.00 0.00 177.39 175.54 3ia2 n LYS 149 N -0.80 0.48 -2.88 3.23 5.02 -0.76 -4.97 118.16 117.48 3ia2 n LYS 149 Ca 0.23 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.67 3ia2 n LYS 149 Cb 0.15 -1.32 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 3ia2 n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ia2 s ASP 150 N -6.68 -1.44 0.37 4.39 -1.08 -0.30 -5.01 116.67 106.92 3ia2 s ASP 150 Ca -0.30 -1.44 0.12 0.00 -0.52 0.00 0.00 52.55 50.41 3ia2 s ASP 150 Cb 0.10 1.87 0.73 0.00 -1.46 0.00 0.00 42.92 44.17 3ia2 s ASP 150 CO 0.41 -0.08 1.84 0.08 0.52 0.00 0.00 175.17 177.94 3ia2 h ARG 151 N 5.52 0.04 -0.33 4.34 0.11 -1.69 -2.15 114.38 120.22 3ia2 h ARG 151 Ca 0.06 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 3ia2 h ARG 151 Cb 1.13 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.19 3ia2 h ARG 151 CO 0.03 0.38 0.18 0.00 0.10 0.00 0.00 179.97 180.66 3ia2 h ALA 152 N 1.62 0.42 -0.01 0.08 0.00 -1.94 -0.97 119.26 118.47 3ia2 h ALA 152 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3ia2 h ALA 152 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ia2 h ALA 152 CO 0.05 -0.05 -0.74 0.37 0.00 0.00 0.00 179.25 178.88 3ia2 h GLN 153 N 0.41 0.05 -0.23 0.00 5.75 -1.94 -2.46 115.11 116.68 3ia2 h GLN 153 Ca 0.12 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3ia2 h GLN 153 Cb 0.07 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3ia2 h GLN 153 CO -0.02 0.76 0.11 0.35 -2.65 0.00 0.00 178.83 177.38 3ia2 h PHE 154 N 0.03 0.20 -0.38 3.99 3.57 -1.12 -0.04 116.94 123.19 3ia2 h PHE 154 Ca -0.01 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ia2 h PHE 154 Cb 1.30 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3ia2 h PHE 154 CO 0.01 0.11 0.23 0.82 -2.23 0.00 0.00 178.31 177.24 3ia2 h ILE 155 N 0.23 1.05 -0.39 1.41 2.04 -1.07 -0.27 117.51 120.51 3ia2 h ILE 155 Ca 0.10 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3ia2 h ILE 155 Cb 0.04 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3ia2 h ILE 155 CO -0.07 0.09 0.18 -1.28 0.00 0.00 0.00 178.15 177.06 3ia2 h SER 156 N 0.47 0.26 0.44 1.72 0.87 -1.17 -2.11 113.55 114.03 3ia2 h SER 156 Ca 0.15 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3ia2 h SER 156 Cb -0.01 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3ia2 h SER 156 CO -0.06 0.19 -0.29 0.44 -0.53 0.00 0.00 176.83 176.58 3ia2 h ASP 157 N 0.38 0.00 0.63 6.23 3.32 -0.68 -2.92 116.42 123.37 3ia2 h ASP 157 Ca 0.17 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3ia2 h ASP 157 Cb 0.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3ia2 h ASP 157 CO -0.13 0.29 -0.31 0.15 -1.72 0.00 0.00 179.24 177.51 3ia2 h PHE 158 N 0.00 0.00 -0.76 4.55 3.04 -0.35 -3.24 116.94 120.18 3ia2 h PHE 158 Ca -0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 3ia2 h PHE 158 Cb 0.59 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.99 3ia2 h PHE 158 CO 0.00 0.31 0.28 -0.91 -2.02 0.00 0.00 178.31 175.97 3ia2 h ASN 159 N 0.00 0.22 0.92 0.41 2.35 -1.32 -1.51 115.58 116.65 3ia2 h ASN 159 Ca -0.00 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3ia2 h ASN 159 Cb 0.71 0.12 0.01 0.00 0.05 0.00 0.00 38.32 39.20 3ia2 h ASN 159 CO 0.04 0.06 -0.44 0.00 -1.65 0.00 0.00 177.43 175.44 3ia2 h ALA 160 N 1.57 -1.24 0.00 -0.83 0.00 -1.77 -1.44 119.26 115.55 3ia2 h ALA 160 Ca 0.42 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ia2 h ALA 160 Cb 0.68 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3ia2 h ALA 160 CO -0.44 -1.19 -0.39 -1.00 0.00 0.00 0.00 179.25 176.23 3ia2 h PRO 161 N -1.24 0.00 -0.05 0.00 0.13 -1.76 0.21 132.00 129.28 3ia2 h PRO 161 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3ia2 h PRO 161 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ia2 h PRO 161 CO 0.21 0.39 0.02 0.35 -0.23 0.00 0.00 178.00 178.74 3ia2 h PHE 162 N 0.00 0.07 -0.01 1.56 3.04 -1.10 -3.09 116.94 117.40 3ia2 h PHE 162 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3ia2 h PHE 162 Cb 0.74 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.23 3ia2 h PHE 162 CO 0.00 0.14 -0.29 0.66 -2.02 0.00 0.00 178.31 176.80 3ia2 n TYR 163 N -5.00 0.00 -1.97 0.41 4.01 -0.56 -0.81 117.16 113.24 3ia2 n TYR 163 Ca -0.06 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.60 3ia2 n TYR 163 Cb 0.08 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3ia2 n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ia2 n GLY 164 N 1.35 0.23 0.25 2.72 0.00 0.05 -4.69 105.19 105.11 3ia2 n GLY 164 Ca 0.12 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3ia2 n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ia2 h ILE 165 N 0.00 1.08 0.00 -0.61 2.04 -0.90 0.11 117.51 119.23 3ia2 h ILE 165 Ca -0.17 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.37 3ia2 h ILE 165 Cb 1.01 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3ia2 h ILE 165 CO 0.21 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 178.00 3ia2 n ASN 166 N -4.43 0.00 -2.66 1.72 6.94 -1.25 -3.90 115.26 111.69 3ia2 n ASN 166 Ca -0.02 -0.43 -0.07 0.00 -0.02 0.00 0.00 54.58 54.04 3ia2 n ASN 166 Cb 0.16 -0.15 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3ia2 n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3ia2 n LYS 167 N -1.15 2.01 0.00 -3.83 4.76 0.33 -5.00 118.16 115.28 3ia2 n LYS 167 Ca 0.16 -3.62 0.00 0.00 -2.87 0.00 0.00 58.31 51.98 3ia2 n LYS 167 Cb 0.15 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.66 3ia2 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ia2 n GLY 168 N -0.51 1.00 3.82 0.72 0.00 -1.17 -5.02 105.19 104.02 3ia2 n GLY 168 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3ia2 n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ia2 s GLN 169 N -0.70 4.03 -0.15 1.61 -1.52 -0.95 -5.04 119.66 116.94 3ia2 s GLN 169 Ca 0.00 1.10 0.01 0.00 -1.95 0.00 0.00 55.36 54.52 3ia2 s GLN 169 Cb 0.00 -2.15 0.02 0.00 -0.22 0.00 0.00 33.01 30.66 3ia2 s GLN 169 CO 0.00 -0.20 -0.17 0.08 -0.25 0.00 0.00 175.29 174.75 3ia2 s VAL 170 N -2.32 1.75 -0.04 1.09 1.01 -1.26 -4.38 120.40 116.26 3ia2 s VAL 170 Ca 0.62 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3ia2 s VAL 170 Cb -0.11 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3ia2 s VAL 170 CO 0.21 0.49 -0.10 0.68 0.00 0.00 0.00 175.10 176.38 3ia2 s VAL 171 N 1.25 0.92 0.92 2.92 -7.23 -1.26 -4.98 120.40 112.94 3ia2 s VAL 171 Ca 0.01 -0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 59.67 3ia2 s VAL 171 Cb -0.14 -0.83 0.15 0.00 0.56 0.00 0.00 36.38 36.13 3ia2 s VAL 171 CO -0.08 0.29 1.12 -0.94 -0.31 0.00 0.00 175.10 175.18 3ia2 s SER 172 N 0.33 2.91 0.38 4.85 1.04 -1.26 -4.88 113.70 117.07 3ia2 s SER 172 Ca -0.06 2.04 0.09 0.00 0.48 0.00 0.00 55.95 58.50 3ia2 s SER 172 Cb -0.11 -2.52 0.75 0.00 0.10 0.00 0.00 66.02 64.25 3ia2 s SER 172 CO 0.01 -3.08 1.90 -0.61 0.98 0.00 0.00 173.24 172.43 3ia2 h GLN 173 N -1.86 0.23 -0.17 4.02 5.75 -2.00 -2.76 115.11 118.32 3ia2 h GLN 173 Ca -0.46 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.01 3ia2 h GLN 173 Cb 1.27 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.76 3ia2 h GLN 173 CO 0.44 0.40 -0.00 0.78 -2.65 0.00 0.00 178.83 177.80 3ia2 h GLY 174 N 0.79 0.16 1.00 2.39 0.00 -1.99 0.12 103.07 105.54 3ia2 h GLY 174 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3ia2 h GLY 174 CO 0.03 -0.03 0.40 -2.08 0.00 0.00 0.00 176.54 174.85 3ia2 h VAL 175 N 0.05 1.21 -0.50 4.60 2.07 -1.88 0.02 116.25 121.82 3ia2 h VAL 175 Ca 0.08 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3ia2 h VAL 175 Cb 0.10 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3ia2 h VAL 175 CO -0.14 0.22 0.01 1.56 0.02 0.00 0.00 177.57 179.24 3ia2 h GLN 176 N 0.95 0.83 -0.26 1.57 4.20 -1.18 -0.20 115.11 121.02 3ia2 h GLN 176 Ca 0.25 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3ia2 h GLN 176 Cb 0.00 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ia2 h GLN 176 CO -0.04 0.83 -0.12 1.15 -0.67 0.00 0.00 178.83 179.98 3ia2 h THR 177 N 0.77 1.30 -0.76 -0.54 2.02 -0.38 -2.33 112.91 112.99 3ia2 h THR 177 Ca 0.15 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.09 3ia2 h THR 177 Cb 0.45 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3ia2 h THR 177 CO 0.02 0.37 0.25 -0.61 0.37 0.00 0.00 175.52 175.93 3ia2 h GLN 178 N 0.28 1.16 -0.30 6.66 4.15 -0.80 -0.91 115.11 125.35 3ia2 h GLN 178 Ca 0.06 -0.24 0.02 0.00 0.77 0.00 0.00 58.65 59.27 3ia2 h GLN 178 Cb 0.62 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 3ia2 h GLN 178 CO 0.04 0.97 0.13 1.15 -1.93 0.00 0.00 178.83 179.19 3ia2 h THR 179 N 1.12 0.97 -0.38 2.39 2.02 -0.95 -1.32 112.91 116.75 3ia2 h THR 179 Ca 0.25 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 3ia2 h THR 179 Cb 0.28 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3ia2 h THR 179 CO -0.01 0.05 0.07 0.25 0.37 0.00 0.00 175.52 176.25 3ia2 h LEU 180 N 0.28 0.60 -0.31 2.58 5.85 -1.19 -1.75 115.31 121.38 3ia2 h LEU 180 Ca 0.13 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3ia2 h LEU 180 Cb 0.06 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ia2 h LEU 180 CO -0.10 0.70 0.05 -0.61 -0.34 0.00 0.00 178.44 178.14 3ia2 h GLN 181 N 0.48 0.16 -0.40 1.25 4.15 -0.92 -0.90 115.11 118.93 3ia2 h GLN 181 Ca 0.12 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3ia2 h GLN 181 Cb 0.35 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3ia2 h GLN 181 CO 0.01 0.10 0.12 0.82 -1.93 0.00 0.00 178.83 177.95 3ia2 h ILE 182 N 0.16 1.22 -0.48 2.39 2.04 -1.20 -3.00 117.51 118.64 3ia2 h ILE 182 Ca 0.15 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3ia2 h ILE 182 Cb 0.16 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3ia2 h ILE 182 CO -0.20 0.25 0.27 0.00 0.00 0.00 0.00 178.15 178.47 3ia2 h ALA 183 N 0.97 1.58 0.00 1.87 0.00 -0.89 -1.99 119.26 120.80 3ia2 h ALA 183 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ia2 h ALA 183 Cb 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ia2 h ALA 183 CO -0.00 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 3ia2 h LEU 184 N 0.66 0.00 -1.52 0.00 3.38 -1.03 -2.47 115.31 114.32 3ia2 h LEU 184 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3ia2 h LEU 184 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ia2 h LEU 184 CO -0.03 0.00 -0.24 -0.07 0.09 0.00 0.00 178.44 178.19 3ia2 h LEU 185 N 0.00 0.00-10.33 1.67 3.38 -1.31 -3.45 115.31 105.27 3ia2 h LEU 185 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3ia2 h LEU 185 Cb 0.57 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.47 3ia2 h LEU 185 CO 0.00 0.24 0.26 0.00 0.09 0.00 0.00 178.44 179.03 3ia2 s ALA 186 N -4.49 1.69 0.18 1.53 0.00 -0.93 -4.57 121.76 115.17 3ia2 s ALA 186 Ca -0.04 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3ia2 s ALA 186 Cb 0.15 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 3ia2 s ALA 186 CO 0.70 -2.24 1.01 0.45 0.00 0.00 0.00 175.76 175.68 3ia2 s SER 187 N -3.38 7.45 0.22 0.00 0.15 0.50 -4.96 113.70 113.68 3ia2 s SER 187 Ca 0.63 1.97 -0.09 0.00 0.70 0.00 0.00 55.95 59.17 3ia2 s SER 187 Cb -0.18 -2.60 0.23 0.00 -1.71 0.00 0.00 66.02 61.76 3ia2 s SER 187 CO 0.57 -0.06 1.85 0.25 1.20 0.00 0.00 173.24 177.05 3ia2 h LEU 188 N 4.86 0.77 -0.17 3.45 5.85 -1.95 -0.73 115.31 127.39 3ia2 h LEU 188 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ia2 h LEU 188 Cb 1.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3ia2 h LEU 188 CO 0.70 0.52 0.09 0.50 -0.34 0.00 0.00 178.44 179.91 3ia2 h LYS 189 N 0.91 0.23 -0.75 1.25 1.63 -1.95 -1.98 116.57 115.91 3ia2 h LYS 189 Ca 0.31 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 3ia2 h LYS 189 Cb 0.06 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 3ia2 h LYS 189 CO -0.13 0.24 0.33 0.00 -3.45 0.00 0.00 179.45 176.45 3ia2 h ALA 190 N 0.98 0.96 -0.28 5.00 0.00 -1.82 0.26 119.26 124.36 3ia2 h ALA 190 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ia2 h ALA 190 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ia2 h ALA 190 CO -0.01 0.55 0.14 1.15 0.00 0.00 0.00 179.25 181.09 3ia2 h THR 191 N 1.06 0.99 -0.17 0.00 2.02 -0.90 -0.48 112.91 115.44 3ia2 h THR 191 Ca 0.25 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 3ia2 h THR 191 Cb 0.16 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3ia2 h THR 191 CO -0.03 0.05 -0.30 0.58 0.37 0.00 0.00 175.52 176.20 3ia2 h VAL 192 N 0.30 1.35 -0.94 3.16 2.07 -1.20 -3.20 116.25 117.80 3ia2 h VAL 192 Ca 0.12 -1.53 0.08 0.00 0.82 0.00 0.00 66.70 66.18 3ia2 h VAL 192 Cb 0.03 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3ia2 h VAL 192 CO -0.08 0.46 0.61 0.44 0.02 0.00 0.00 177.57 179.02 3ia2 h ASP 193 N 0.13 0.91 -0.20 0.57 3.32 -0.79 -1.62 116.42 118.75 3ia2 h ASP 193 Ca 0.01 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3ia2 h ASP 193 Cb 0.88 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 3ia2 h ASP 193 CO 0.07 0.56 0.08 0.00 -1.72 0.00 0.00 179.24 178.23 3ia2 h VAL 195 N 0.36 1.00 -0.74 0.00 2.07 -1.30 0.80 116.25 118.43 3ia2 h VAL 195 Ca 0.09 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.70 3ia2 h VAL 195 Cb 0.11 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3ia2 h VAL 195 CO -0.01 0.01 0.38 0.74 0.02 0.00 0.00 177.57 178.71 3ia2 h THR 196 N 0.03 0.84 0.56 2.57 2.02 -1.31 0.21 112.91 117.84 3ia2 h THR 196 Ca 0.01 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3ia2 h THR 196 Cb 0.00 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3ia2 h THR 196 CO -0.01 0.12 -0.27 0.00 0.37 0.00 0.00 175.52 175.72 3ia2 h ALA 197 N 1.45 -0.75 0.00 6.16 0.00 -0.55 -2.61 119.26 122.96 3ia2 h ALA 197 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ia2 h ALA 197 Cb 0.40 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ia2 h ALA 197 CO -0.28 -0.83 -0.04 0.27 0.00 0.00 0.00 179.25 178.38 3ia2 h PHE 198 N -0.93 0.00 -0.11 0.00 -5.15 -0.79 -2.08 116.94 107.87 3ia2 h PHE 198 Ca -0.08 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.50 3ia2 h PHE 198 Cb 0.64 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.81 3ia2 h PHE 198 CO -0.00 0.04 -0.71 0.00 -2.00 0.00 0.00 178.31 175.63 3ia2 h ALA 199 N 1.96 0.55 0.00 12.09 0.00 -0.93 -3.39 119.26 129.54 3ia2 h ALA 199 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ia2 h ALA 199 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ia2 h ALA 199 CO 0.00 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.38 3ia2 n GLU 200 N -3.88 3.51 -2.76 0.00 1.02 -0.99 -2.02 120.64 115.52 3ia2 n GLU 200 Ca -0.05 -0.18 -0.41 0.00 -0.02 0.00 0.00 57.16 56.50 3ia2 n GLU 200 Cb 0.70 -0.66 -0.04 0.00 -0.02 0.00 0.00 31.44 31.42 3ia2 n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ia2 s THR 201 N -0.55 4.68 -0.31 2.62 2.01 -0.79 -5.01 115.64 118.28 3ia2 s THR 201 Ca 0.00 2.00 -0.10 0.00 0.31 0.00 0.00 61.69 63.90 3ia2 s THR 201 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3ia2 s THR 201 CO 0.00 0.26 0.17 -0.62 -0.69 0.00 0.00 174.62 173.74 3ia2 s ASP 202 N 0.39 5.64 -0.07 3.53 -1.08 -1.26 -4.50 116.67 119.32 3ia2 s ASP 202 Ca 0.48 -0.48 0.18 0.00 -0.52 0.00 0.00 52.55 52.20 3ia2 s ASP 202 Cb -0.22 -2.03 0.61 0.00 -1.46 0.00 0.00 42.92 39.83 3ia2 s ASP 202 CO 0.28 -0.19 1.52 0.49 0.52 0.00 0.00 175.17 177.79 3ia2 n PHE 203 N 5.00 1.13 -0.25 -5.34 3.72 0.97 -4.54 117.46 118.16 3ia2 n PHE 203 Ca -0.14 -0.59 -0.07 0.00 -0.05 0.00 0.00 57.45 56.61 3ia2 n PHE 203 Cb 0.49 -0.15 0.04 0.00 -0.94 0.00 0.00 39.48 38.93 3ia2 n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ia2 h ARG 204 N 3.56 1.00 -0.80 -1.08 3.08 -1.90 -1.31 114.38 116.92 3ia2 h ARG 204 Ca 0.00 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.91 3ia2 h ARG 204 Cb 1.21 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 3ia2 h ARG 204 CO 0.13 0.82 0.53 -1.35 -1.07 0.00 0.00 179.97 179.02 3ia2 h PRO 205 N 0.96 0.98 -0.96 0.04 0.11 -1.93 -2.57 132.00 128.64 3ia2 h PRO 205 Ca 0.23 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.31 3ia2 h PRO 205 Cb 0.17 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.00 3ia2 h PRO 205 CO -0.02 0.65 0.62 -0.44 -0.21 0.00 0.00 178.00 178.60 3ia2 h ASP 206 N 1.01 1.04 -0.79 -2.05 5.19 -1.57 -2.65 116.42 116.60 3ia2 h ASP 206 Ca 0.31 -0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.82 3ia2 h ASP 206 Cb -0.00 -0.24 -0.06 0.00 0.18 0.00 0.00 39.33 39.21 3ia2 h ASP 206 CO -0.09 0.72 0.52 0.24 -3.12 0.00 0.00 179.24 177.51 3ia2 h MET 207 N 1.22 0.64 0.00 3.56 2.86 -0.92 -0.34 114.93 121.95 3ia2 h MET 207 Ca 0.38 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3ia2 h MET 207 Cb -0.02 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.50 3ia2 h MET 207 CO -0.12 0.42 0.00 0.00 1.06 0.00 0.00 176.91 178.28 3ia2 h ALA 208 N 1.61 1.00 -0.00 6.32 0.00 -1.53 -3.00 119.26 123.67 3ia2 h ALA 208 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3ia2 h ALA 208 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ia2 h ALA 208 CO -0.15 0.00 -0.48 1.63 0.00 0.00 0.00 179.25 180.26 3ia2 n LYS 209 N -2.71 0.14 -2.66 0.00 4.76 -0.15 -4.82 118.16 112.73 3ia2 n LYS 209 Ca 0.03 -0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 54.96 3ia2 n LYS 209 Cb 0.36 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 3ia2 n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ia2 s ILE 210 N -2.92 4.02 -0.38 -0.18 1.01 -1.13 -4.87 121.20 116.74 3ia2 s ILE 210 Ca 0.13 0.42 0.05 0.00 0.00 0.00 0.00 60.65 61.25 3ia2 s ILE 210 Cb 0.18 -4.76 0.46 0.00 0.01 0.00 0.00 42.46 38.35 3ia2 s ILE 210 CO 0.68 -1.51 1.43 -0.90 0.00 0.00 0.00 174.94 174.64 3ia2 n ASP 211 N 8.51 5.31 -4.23 3.58 5.75 -1.26 -4.55 116.55 129.65 3ia2 n ASP 211 Ca 0.03 -3.77 -0.14 0.00 -0.01 0.00 0.00 54.79 50.91 3ia2 n ASP 211 Cb 0.48 -0.54 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 3ia2 n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3ia2 s VAL 212 N -4.49 1.09 0.20 2.12 -7.23 -1.26 -5.11 120.40 105.72 3ia2 s VAL 212 Ca 0.54 -1.99 -0.32 0.00 -1.81 0.00 0.00 61.98 58.39 3ia2 s VAL 212 Cb 0.43 -1.77 -0.15 0.00 0.56 0.00 0.00 36.38 35.46 3ia2 s VAL 212 CO 0.02 -0.73 1.27 -2.65 -0.31 0.00 0.00 175.10 172.70 3ia2 n PRO 213 N -0.08 1.57 -4.12 4.82 -0.02 -1.26 -4.77 135.00 131.14 3ia2 n PRO 213 Ca -0.11 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.75 3ia2 n PRO 213 Cb 0.60 -2.13 -0.15 0.00 -0.02 0.00 0.00 33.50 31.80 3ia2 n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ia2 s THR 214 N -0.14 0.40 -0.14 3.45 2.01 -1.26 -1.19 115.64 118.76 3ia2 s THR 214 Ca 0.71 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.60 3ia2 s THR 214 Cb -0.76 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3ia2 s THR 214 CO 0.51 0.16 -0.19 -0.22 -0.69 0.00 0.00 174.62 174.19 3ia2 s LEU 215 N 0.44 2.28 -0.21 4.42 2.96 -0.08 -0.69 118.68 127.81 3ia2 s LEU 215 Ca -0.05 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3ia2 s LEU 215 Cb -0.09 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3ia2 s LEU 215 CO -0.00 0.09 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 3ia2 s VAL 216 N 0.76 3.81 -0.04 1.68 1.01 0.10 -0.98 120.40 126.74 3ia2 s VAL 216 Ca -0.08 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.61 3ia2 s VAL 216 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3ia2 s VAL 216 CO 0.00 0.42 -0.24 -0.63 0.00 0.00 0.00 175.10 174.65 3ia2 s ILE 217 N 1.19 1.92 -0.15 2.22 1.01 -0.35 -0.32 121.20 126.73 3ia2 s ILE 217 Ca 0.03 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3ia2 s ILE 217 Cb -0.15 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.76 3ia2 s ILE 217 CO 0.01 0.54 0.53 -2.28 0.00 0.00 0.00 174.94 173.73 3ia2 s HIS 218 N -0.34 -0.54 0.04 3.97 2.46 -0.90 -0.69 115.29 119.29 3ia2 s HIS 218 Ca 0.03 1.20 -0.21 0.00 0.47 0.00 0.00 55.06 56.55 3ia2 s HIS 218 Cb -0.11 0.22 -0.06 0.00 -0.13 0.00 0.00 32.58 32.50 3ia2 s HIS 218 CO 0.01 -0.36 0.61 0.20 -2.47 0.00 0.00 174.74 172.74 3ia2 s GLY 219 N -0.23 2.67 -0.03 1.59 0.00 -1.26 -1.53 107.32 108.52 3ia2 s GLY 219 Ca -0.04 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.84 3ia2 s GLY 219 CO 0.03 0.69 1.16 2.09 0.00 0.00 0.00 173.10 177.07 3ia2 n ASP 220 N 2.32 2.08 -0.60 1.64 5.68 -1.06 -2.74 116.55 123.87 3ia2 n ASP 220 Ca -0.08 -2.13 0.06 0.00 -0.50 0.00 0.00 54.79 52.14 3ia2 n ASP 220 Cb 0.51 -0.33 0.16 0.00 -1.14 0.00 0.00 41.12 40.31 3ia2 n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ia2 n GLY 221 N 0.75 3.11 3.62 6.12 0.00 -0.26 -4.67 105.19 113.86 3ia2 n GLY 221 Ca 0.11 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3ia2 n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ia2 s ASP 222 N -1.24 5.95 0.00 1.61 -1.08 -1.10 -4.56 116.67 116.24 3ia2 s ASP 222 Ca 0.24 2.01 0.26 0.00 -0.52 0.00 0.00 52.55 54.54 3ia2 s ASP 222 Cb 0.16 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.69 3ia2 s ASP 222 CO 0.12 -1.55 1.48 0.00 0.52 0.00 0.00 175.17 175.73 3ia2 n GLN 223 N 8.18 0.20 -0.10 4.34 6.02 -1.26 -4.46 117.38 130.30 3ia2 n GLN 223 Ca 0.24 -0.11 -0.17 0.00 -0.01 0.00 0.00 57.00 56.95 3ia2 n GLN 223 Cb 0.44 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.14 3ia2 n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3ia2 n ILE 224 N -1.30 1.41 -3.89 5.09 2.08 -1.26 -4.89 119.36 116.59 3ia2 n ILE 224 Ca 0.07 -0.09 -0.35 0.00 0.56 0.00 0.00 62.75 62.94 3ia2 n ILE 224 Cb 0.34 -2.04 -0.13 0.00 -0.75 0.00 0.00 39.64 37.05 3ia2 n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3ia2 s VAL 225 N -2.62 2.98 -0.12 1.39 1.01 -1.26 -5.07 120.40 116.70 3ia2 s VAL 225 Ca -0.30 -1.65 -0.29 0.00 0.00 0.00 0.00 61.98 59.74 3ia2 s VAL 225 Cb 0.09 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 3ia2 s VAL 225 CO 0.41 -0.30 2.05 -2.84 0.00 0.00 0.00 175.10 174.42 3ia2 s PRO 226 N 1.19 3.59 0.21 2.72 0.02 -1.26 -4.79 135.00 136.68 3ia2 s PRO 226 Ca -0.00 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.12 3ia2 s PRO 226 Cb -0.20 -4.25 0.29 0.00 0.02 0.00 0.00 34.50 30.36 3ia2 s PRO 226 CO -0.03 -1.57 1.69 0.35 -0.33 0.00 0.00 177.00 177.11 3ia2 h PHE 227 N 12.84 0.12 -0.56 6.54 3.04 -1.83 -2.18 116.94 134.91 3ia2 h PHE 227 Ca -0.43 0.04 0.10 0.00 3.98 0.00 0.00 57.97 61.65 3ia2 h PHE 227 Cb 1.23 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.74 3ia2 h PHE 227 CO 0.94 -0.08 0.38 0.93 -2.02 0.00 0.00 178.31 178.47 3ia2 h GLU 228 N 0.21 0.34 -0.12 1.11 4.39 -1.96 -1.35 114.58 117.21 3ia2 h GLU 228 Ca 0.32 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.00 3ia2 h GLU 228 Cb 0.49 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3ia2 h GLU 228 CO -0.44 0.23 0.00 0.25 -1.16 0.00 0.00 179.01 177.89 3ia2 n THR 229 N -4.46 0.32 0.00 1.13 -2.24 -1.04 -4.41 114.28 103.58 3ia2 n THR 229 Ca 0.09 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3ia2 n THR 229 Cb 0.38 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3ia2 n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ia2 n THR 230 N 0.57 0.00 -0.20 4.28 -2.24 -0.85 -4.62 114.28 111.22 3ia2 n THR 230 Ca 0.08 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.87 3ia2 n THR 230 Cb 0.32 -0.03 0.11 0.00 -2.10 0.00 0.00 70.33 68.63 3ia2 n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3ia2 h GLY 231 N 0.00 0.75 0.63 3.38 0.00 -1.60 0.26 103.07 106.49 3ia2 h GLY 231 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.43 3ia2 h GLY 231 CO 0.00 -0.16 0.58 1.70 0.00 0.00 0.00 176.54 178.66 3ia2 h LYS 232 N 0.20 0.98 0.17 4.80 3.64 -1.52 -2.22 116.57 122.62 3ia2 h LYS 232 Ca 0.33 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 59.34 3ia2 h LYS 232 Cb 0.52 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3ia2 h LYS 232 CO -0.47 0.65 -1.32 0.28 -2.27 0.00 0.00 179.45 176.32 3ia2 h VAL 233 N 1.01 1.29 -0.91 2.00 2.07 -1.45 -3.27 116.25 117.00 3ia2 h VAL 233 Ca 0.43 -2.57 0.04 0.00 0.82 0.00 0.00 66.70 65.41 3ia2 h VAL 233 Cb 0.28 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 3ia2 h VAL 233 CO -0.21 0.78 0.59 0.00 0.02 0.00 0.00 177.57 178.75 3ia2 h ALA 234 N 0.27 1.20 0.00 1.67 0.00 -0.73 -0.57 119.26 121.09 3ia2 h ALA 234 Ca -0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3ia2 h ALA 234 Cb 2.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3ia2 h ALA 234 CO 0.25 0.45 -0.13 0.00 0.00 0.00 0.00 179.25 179.81 3ia2 h ALA 235 N 1.38 1.61 0.20 0.00 0.00 -1.48 -1.40 119.26 119.56 3ia2 h ALA 235 Ca 0.36 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.82 3ia2 h ALA 235 Cb 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ia2 h ALA 235 CO -0.12 0.17 -1.56 0.93 0.00 0.00 0.00 179.25 178.66 3ia2 h GLU 236 N 0.00 0.42 0.00 0.00 4.39 -1.33 -3.36 114.58 114.69 3ia2 h GLU 236 Ca -0.00 -0.71 -0.06 0.00 0.34 0.00 0.00 59.36 58.92 3ia2 h GLU 236 Cb 0.27 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3ia2 h GLU 236 CO 0.02 1.32 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.81 3ia2 h LEU 237 N 0.11 0.00 -8.88 1.33 3.38 -0.82 -3.42 115.31 107.02 3ia2 h LEU 237 Ca -0.27 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.07 3ia2 h LEU 237 Cb 2.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.72 3ia2 h LEU 237 CO 0.22 0.31 0.04 -0.63 0.09 0.00 0.00 178.44 178.47 3ia2 s ILE 238 N -3.26 5.00 0.12 1.22 1.01 -0.56 -4.56 121.20 120.17 3ia2 s ILE 238 Ca 0.03 0.72 -0.31 0.00 0.00 0.00 0.00 60.65 61.09 3ia2 s ILE 238 Cb 0.08 -3.93 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 3ia2 s ILE 238 CO 0.69 -0.09 1.84 1.17 0.00 0.00 0.00 174.94 178.56 3ia2 n LYS 239 N 5.74 2.78 -0.98 2.79 4.81 -1.26 -2.05 118.16 129.99 3ia2 n LYS 239 Ca -0.03 1.01 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 3ia2 n LYS 239 Cb 0.49 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.63 3ia2 n LYS 239 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ia2 n GLY 240 N 4.24 0.58 3.77 3.14 0.00 -1.26 -4.87 105.19 110.79 3ia2 n GLY 240 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3ia2 n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia2 s ALA 241 N -2.43 3.22 -0.04 4.61 0.00 -0.87 -4.63 121.76 121.62 3ia2 s ALA 241 Ca 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 3ia2 s ALA 241 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3ia2 s ALA 241 CO 0.00 -0.71 0.14 -2.00 0.00 0.00 0.00 175.76 173.19 3ia2 s GLU 242 N -2.25 3.35 -0.10 0.00 2.12 0.13 -4.94 118.70 117.02 3ia2 s GLU 242 Ca 0.57 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.63 3ia2 s GLU 242 Cb -0.35 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3ia2 s GLU 242 CO 0.45 0.70 -0.22 -1.17 -0.54 0.00 0.00 175.26 174.47 3ia2 s LEU 243 N -1.62 2.04 -0.11 2.70 2.96 -1.26 0.02 118.68 123.41 3ia2 s LEU 243 Ca 0.23 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3ia2 s LEU 243 Cb -0.12 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3ia2 s LEU 243 CO 0.13 0.14 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.56 3ia2 s LYS 244 N 0.43 2.72 -0.25 1.98 1.02 0.56 -4.97 119.74 121.23 3ia2 s LYS 244 Ca -0.17 -0.75 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 3ia2 s LYS 244 Cb -0.17 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 3ia2 s LYS 244 CO 0.07 0.05 -0.01 0.08 -0.92 0.00 0.00 175.35 174.62 3ia2 s VAL 245 N 0.67 3.46 -0.37 3.17 1.01 -1.26 -2.12 120.40 124.96 3ia2 s VAL 245 Ca -0.12 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.93 3ia2 s VAL 245 Cb -0.16 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3ia2 s VAL 245 CO 0.03 0.28 1.06 -0.31 0.00 0.00 0.00 175.10 176.16 3ia2 s TYR 246 N 1.46 3.05 0.07 5.22 1.51 -0.58 -4.94 117.35 123.13 3ia2 s TYR 246 Ca 0.04 0.99 -0.30 0.00 -1.01 0.00 0.00 57.07 56.78 3ia2 s TYR 246 Cb -0.16 -3.88 -0.09 0.00 -0.11 0.00 0.00 41.96 37.72 3ia2 s TYR 246 CO -0.02 -0.91 1.91 0.21 -1.11 0.00 0.00 175.55 175.63 3ia2 s LYS 247 N 3.83 4.14 0.00 -0.62 2.20 -1.26 -2.20 119.74 125.83 3ia2 s LYS 247 Ca 0.45 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.65 3ia2 s LYS 247 Cb -0.11 -3.95 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3ia2 s LYS 247 CO 0.20 -0.91 0.00 -0.25 -0.36 0.00 0.00 175.35 174.03 3ia2 n ASP 248 N 6.85 -0.12 -4.74 1.43 8.00 -1.26 -4.90 116.55 121.81 3ia2 n ASP 248 Ca 0.19 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.32 3ia2 n ASP 248 Cb 0.40 -1.53 0.05 0.00 -0.02 0.00 0.00 41.12 40.02 3ia2 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia2 s ALA 249 N -2.17 2.53 0.74 2.24 0.00 -0.93 -4.23 121.76 119.94 3ia2 s ALA 249 Ca 0.00 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 3ia2 s ALA 249 Cb 0.00 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3ia2 s ALA 249 CO 0.00 -1.35 0.36 -0.35 0.00 0.00 0.00 175.76 174.42 3ia2 n PRO 250 N -1.61 -0.00 -0.06 0.00 -0.04 -1.26 -1.11 135.00 130.92 3ia2 n PRO 250 Ca 0.14 -0.75 -0.11 0.00 -0.04 0.00 0.00 63.50 62.74 3ia2 n PRO 250 Cb 0.48 -0.32 -0.05 0.00 -0.04 0.00 0.00 33.50 33.58 3ia2 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ia2 h HIS 251 N -0.84 0.33 -0.27 0.54 -0.00 -1.79 -3.31 115.15 109.81 3ia2 h HIS 251 Ca -0.12 -0.05 -0.43 0.00 -0.00 0.00 0.00 60.37 59.77 3ia2 h HIS 251 Cb 0.38 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.63 3ia2 h HIS 251 CO 0.00 0.47 1.26 0.41 -0.00 0.00 0.00 177.93 180.07 3ia2 n GLY 252 N -0.42 3.79 0.00 5.26 0.00 0.01 -4.63 105.19 109.19 3ia2 n GLY 252 Ca -0.04 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 44.62 3ia2 n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3ia2 n PHE 253 N 2.50 0.00 0.27 1.61 1.16 -1.25 -2.27 117.46 119.48 3ia2 n PHE 253 Ca 0.56 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 56.29 3ia2 n PHE 253 Cb 0.60 -0.49 0.76 0.00 -1.61 0.00 0.00 39.48 38.74 3ia2 n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ia2 h ALA 254 N 2.93 1.17 0.00 1.98 0.00 -1.87 0.32 119.26 123.78 3ia2 h ALA 254 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ia2 h ALA 254 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3ia2 h ALA 254 CO 0.00 0.12 -0.67 0.28 0.00 0.00 0.00 179.25 178.98 3ia2 h VAL 255 N 0.00 0.55 0.00 0.00 2.07 -1.85 -3.27 116.25 113.76 3ia2 h VAL 255 Ca -0.00 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.82 3ia2 h VAL 255 Cb 0.36 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3ia2 h VAL 255 CO 0.01 0.19 -0.46 0.71 0.02 0.00 0.00 177.57 178.04 3ia2 h THR 256 N -1.00 0.99 -0.61 2.57 1.35 -1.48 -3.24 112.91 111.49 3ia2 h THR 256 Ca -0.13 -1.80 -0.43 0.00 -0.55 0.00 0.00 66.41 63.49 3ia2 h THR 256 Cb 0.80 2.08 -0.39 0.00 -1.73 0.00 0.00 68.15 68.91 3ia2 h THR 256 CO -0.08 0.45 -0.87 1.41 -0.25 0.00 0.00 175.52 176.18 3ia2 n HIS 257 N -3.50 2.15 -0.05 4.73 -0.00 0.11 -4.91 115.22 113.76 3ia2 n HIS 257 Ca 0.00 -2.11 -0.08 0.00 -0.00 0.00 0.00 57.72 55.54 3ia2 n HIS 257 Cb 0.58 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.25 3ia2 n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3ia2 h ALA 258 N 2.15 0.11 -0.39 -1.41 0.00 -1.59 -1.10 119.26 117.04 3ia2 h ALA 258 Ca 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ia2 h ALA 258 Cb 1.45 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3ia2 h ALA 258 CO 0.56 -0.50 0.13 0.37 0.00 0.00 0.00 179.25 179.81 3ia2 h GLN 259 N -0.05 0.60 -0.62 0.00 4.15 -1.90 0.34 115.11 117.62 3ia2 h GLN 259 Ca 0.12 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.44 3ia2 h GLN 259 Cb 0.23 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 3ia2 h GLN 259 CO -0.27 0.59 0.38 0.37 -1.93 0.00 0.00 178.83 177.97 3ia2 h GLN 260 N 0.48 0.72 -0.45 1.69 4.15 -1.91 -1.48 115.11 118.30 3ia2 h GLN 260 Ca 0.13 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.46 3ia2 h GLN 260 Cb 0.24 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3ia2 h GLN 260 CO -0.01 0.48 0.12 1.25 -1.93 0.00 0.00 178.83 178.74 3ia2 h LEU 261 N 0.74 0.68 -0.33 -2.39 5.85 -0.88 -1.22 115.31 117.75 3ia2 h LEU 261 Ca 0.25 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3ia2 h LEU 261 Cb 0.03 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3ia2 h LEU 261 CO -0.11 0.73 0.03 0.78 -0.34 0.00 0.00 178.44 179.53 3ia2 h ASN 262 N 0.60 -0.06 -0.56 1.25 2.35 -0.54 -0.47 115.58 118.14 3ia2 h ASN 262 Ca 0.14 0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3ia2 h ASN 262 Cb 0.31 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3ia2 h ASN 262 CO -0.00 0.01 0.00 -0.33 -1.65 0.00 0.00 177.43 175.46 3ia2 h GLU 263 N 0.14 1.01 -0.54 0.81 5.08 -1.15 -2.19 114.58 117.74 3ia2 h GLU 263 Ca 0.16 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3ia2 h GLU 263 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ia2 h GLU 263 CO -0.24 0.99 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.31 3ia2 h ASP 264 N 0.93 0.92 -0.35 1.42 3.32 -0.83 -1.16 116.42 120.68 3ia2 h ASP 264 Ca 0.17 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3ia2 h ASP 264 Cb 0.54 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3ia2 h ASP 264 CO 0.03 0.99 0.12 -0.07 -1.72 0.00 0.00 179.24 178.59 3ia2 h LEU 265 N 0.87 0.50 -0.44 1.55 3.38 -0.93 -1.80 115.31 118.44 3ia2 h LEU 265 Ca 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ia2 h LEU 265 Cb 0.54 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ia2 h LEU 265 CO 0.03 0.56 0.27 0.25 0.09 0.00 0.00 178.44 179.64 3ia2 h LEU 266 N 0.42 0.53 -1.01 1.67 5.85 -1.21 -1.48 115.31 120.08 3ia2 h LEU 266 Ca 0.11 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3ia2 h LEU 266 Cb 0.23 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3ia2 h LEU 266 CO -0.01 0.43 0.51 0.00 -0.34 0.00 0.00 178.44 179.03 3ia2 h ALA 267 N 1.13 1.25 -0.37 1.25 0.00 -1.14 -1.24 119.26 120.14 3ia2 h ALA 267 Ca 0.16 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3ia2 h ALA 267 Cb -0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3ia2 h ALA 267 CO -0.03 0.63 0.06 0.35 0.00 0.00 0.00 179.25 180.26 3ia2 h PHE 268 N 1.21 0.65 -0.40 0.00 3.57 -0.96 -1.06 116.94 119.95 3ia2 h PHE 268 Ca 0.31 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3ia2 h PHE 268 Cb -0.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3ia2 h PHE 268 CO 0.01 0.66 0.09 -0.07 -2.23 0.00 0.00 178.31 176.76 3ia2 h LEU 269 N 0.46 0.55 -0.50 0.59 3.38 -0.92 -2.46 115.31 116.42 3ia2 h LEU 269 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ia2 h LEU 269 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ia2 h LEU 269 CO 0.01 0.55 -0.14 0.29 0.09 0.00 0.00 178.44 179.24 3ia2 n LYS 270 N -4.32 0.98 0.00 1.13 5.02 -0.50 -5.11 118.16 115.36 3ia2 n LYS 270 Ca 0.02 -0.50 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 3ia2 n LYS 270 Cb 0.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77