#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 0.14 0.08 0.44 -4.23 -1.26 -0.95 115.64 109.86 3ia2 s THR 2 Ca 0.00 -1.18 -0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3ia2 s THR 2 Cb 0.00 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 3ia2 s THR 2 CO 0.00 -0.65 -0.03 0.72 -0.54 0.00 0.00 174.62 174.12 3ia2 s PHE 3 N -2.56 0.69 -0.21 3.99 -0.12 -0.86 -4.97 117.98 113.93 3ia2 s PHE 3 Ca -0.06 -1.03 -0.07 0.00 -0.05 0.00 0.00 56.93 55.73 3ia2 s PHE 3 Cb -0.02 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 3ia2 s PHE 3 CO -0.05 -0.31 0.04 0.08 -0.05 0.00 0.00 175.22 174.94 3ia2 s VAL 4 N -3.83 4.34 0.94 -2.49 1.01 -1.26 -0.56 120.40 118.55 3ia2 s VAL 4 Ca 0.11 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3ia2 s VAL 4 Cb 0.07 -2.98 0.16 0.00 0.00 0.00 0.00 36.38 33.62 3ia2 s VAL 4 CO -0.07 0.40 1.12 0.00 0.00 0.00 0.00 175.10 176.56 3ia2 s ALA 5 N 1.03 1.48 0.25 5.51 0.00 0.87 -4.89 121.76 126.01 3ia2 s ALA 5 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 3ia2 s ALA 5 Cb -0.14 -3.06 0.47 0.00 0.00 0.00 0.00 23.12 20.39 3ia2 s ALA 5 CO 0.03 -2.49 1.71 -0.22 0.00 0.00 0.00 175.76 174.79 3ia2 h LYS 6 N -1.64 0.35 -0.08 0.00 3.64 -1.96 -0.67 116.57 116.21 3ia2 h LYS 6 Ca -0.52 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3ia2 h LYS 6 Cb 1.33 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3ia2 h LYS 6 CO 0.61 0.23 0.00 -0.40 -2.27 0.00 0.00 179.45 177.62 3ia2 n ASP 7 N -5.07 0.64 0.00 4.20 5.75 -1.26 -4.86 116.55 115.96 3ia2 n ASP 7 Ca 0.14 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.25 3ia2 n ASP 7 Cb 0.44 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 0.85 0.38 3.67 6.12 0.00 -0.26 -5.05 105.19 110.91 3ia2 n GLY 8 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.07 3.62 -0.13 2.61 2.01 -1.26 -4.67 115.64 115.75 3ia2 s THR 9 Ca 0.00 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 3ia2 s THR 9 Cb 0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 3ia2 s THR 9 CO 0.00 -0.05 0.93 -1.58 -0.69 0.00 0.00 174.62 173.23 3ia2 s GLN 10 N 3.42 4.37 -0.17 4.92 0.74 -1.26 -0.09 119.66 131.59 3ia2 s GLN 10 Ca 0.69 1.23 -0.02 0.00 0.05 0.00 0.00 55.36 57.31 3ia2 s GLN 10 Cb -0.32 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.22 3ia2 s GLN 10 CO 0.27 -0.31 -0.08 0.42 -0.55 0.00 0.00 175.29 175.05 3ia2 s ILE 11 N 2.04 3.36 0.20 -2.34 -1.09 0.27 -1.22 121.20 122.41 3ia2 s ILE 11 Ca 0.44 -0.53 -0.25 0.00 -2.23 0.00 0.00 60.65 58.08 3ia2 s ILE 11 Cb -0.18 -2.47 -0.08 0.00 -1.58 0.00 0.00 42.46 38.15 3ia2 s ILE 11 CO 0.16 0.48 0.80 -0.47 -1.23 0.00 0.00 174.94 174.68 3ia2 s TYR 12 N 0.80 3.85 0.11 3.97 5.04 -1.26 -2.04 117.35 127.82 3ia2 s TYR 12 Ca -0.03 1.64 -0.13 0.00 -2.44 0.00 0.00 57.07 56.11 3ia2 s TYR 12 Cb -0.15 -2.78 0.02 0.00 0.35 0.00 0.00 41.96 39.40 3ia2 s TYR 12 CO 0.01 0.45 0.32 -0.59 -1.34 0.00 0.00 175.55 174.40 3ia2 s PHE 13 N -1.27 -0.08 -0.03 4.97 -0.71 -0.12 -0.82 117.98 119.92 3ia2 s PHE 13 Ca 0.39 -0.27 0.04 0.00 -1.04 0.00 0.00 56.93 56.05 3ia2 s PHE 13 Cb -0.22 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 3ia2 s PHE 13 CO 0.26 -0.64 -0.13 0.15 -1.34 0.00 0.00 175.22 173.51 3ia2 s LYS 14 N -3.78 2.46 -0.27 1.99 1.02 0.34 -0.98 119.74 120.51 3ia2 s LYS 14 Ca 0.03 -0.73 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 3ia2 s LYS 14 Cb 0.03 -2.38 0.09 0.00 -0.52 0.00 0.00 37.83 35.05 3ia2 s LYS 14 CO -0.11 0.61 0.06 0.34 -0.92 0.00 0.00 175.35 175.33 3ia2 s ASP 15 N -0.92 3.76 -0.05 2.83 -1.08 -1.26 -1.57 116.67 118.38 3ia2 s ASP 15 Ca 0.13 -1.40 0.04 0.00 -0.52 0.00 0.00 52.55 50.79 3ia2 s ASP 15 Cb -0.11 -0.86 -0.02 0.00 -1.46 0.00 0.00 42.92 40.47 3ia2 s ASP 15 CO 0.02 -0.37 -0.15 0.26 0.52 0.00 0.00 175.17 175.45 3ia2 s TRP 16 N 1.63 2.67 0.00 -5.34 0.51 0.47 -4.98 118.94 113.90 3ia2 s TRP 16 Ca 0.05 -0.24 0.00 0.00 -2.12 0.00 0.00 56.10 53.79 3ia2 s TRP 16 Cb -0.17 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 3ia2 s TRP 16 CO -0.18 0.12 0.00 0.41 -0.51 0.00 0.00 176.95 176.79 3ia2 n GLY 17 N 2.45 -1.78 3.13 0.98 0.00 -1.26 -0.47 105.19 108.24 3ia2 n GLY 17 Ca -0.17 -1.33 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 0.38 0.00 1.61 1.04 -1.25 -4.70 113.70 106.78 3ia2 s SER 18 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3ia2 s SER 18 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3ia2 s SER 18 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3ia2 n GLY 19 N 0.03 -0.01 3.77 7.32 0.00 -1.26 -2.84 105.19 112.20 3ia2 n GLY 19 Ca -0.13 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.23 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 4.17 0.18 1.61 1.02 -1.26 -4.08 119.74 121.38 3ia2 s LYS 20 Ca 0.00 2.49 -0.25 0.00 0.02 0.00 0.00 55.97 58.23 3ia2 s LYS 20 Cb 0.00 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.22 3ia2 s LYS 20 CO 0.00 -0.50 0.79 -1.25 -0.92 0.00 0.00 175.35 173.47 3ia2 s PRO 21 N -1.45 4.57 -0.17 -1.68 0.04 -1.26 -1.86 135.00 133.19 3ia2 s PRO 21 Ca 0.56 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.77 3ia2 s PRO 21 Cb -0.45 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.90 3ia2 s PRO 21 CO 0.56 0.54 -0.13 0.08 0.04 0.00 0.00 177.00 178.09 3ia2 s VAL 22 N -1.20 1.60 -0.21 -0.36 1.01 0.75 -1.39 120.40 120.60 3ia2 s VAL 22 Ca 0.37 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3ia2 s VAL 22 Cb -0.23 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 3ia2 s VAL 22 CO 0.26 0.35 0.01 -0.22 0.00 0.00 0.00 175.10 175.50 3ia2 s LEU 23 N 1.45 3.22 -0.13 3.92 0.20 -0.13 -0.75 118.68 126.46 3ia2 s LEU 23 Ca 0.03 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.55 3ia2 s LEU 23 Cb -0.14 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 3ia2 s LEU 23 CO -0.10 0.03 0.07 -0.36 -0.29 0.00 0.00 176.35 175.70 3ia2 s PHE 24 N 1.21 3.33 -0.24 5.38 0.40 0.60 -0.77 117.98 127.90 3ia2 s PHE 24 Ca 0.03 0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 3ia2 s PHE 24 Cb -0.15 -1.93 0.05 0.00 0.51 0.00 0.00 43.02 41.51 3ia2 s PHE 24 CO 0.01 0.45 -0.11 0.45 0.70 0.00 0.00 175.22 176.72 3ia2 s SER 25 N -0.52 4.03 0.90 1.36 0.15 0.13 -3.82 113.70 115.93 3ia2 s SER 25 Ca 0.10 -1.19 -0.13 0.00 0.70 0.00 0.00 55.95 55.44 3ia2 s SER 25 Cb -0.12 -1.44 0.13 0.00 -1.71 0.00 0.00 66.02 62.89 3ia2 s SER 25 CO 0.02 -0.16 1.15 -1.38 1.20 0.00 0.00 173.24 174.07 3ia2 s HIS 26 N 1.21 2.52 0.47 3.44 -3.43 -1.26 -1.49 115.29 116.75 3ia2 s HIS 26 Ca -0.05 0.80 -0.03 0.00 -0.80 0.00 0.00 55.06 54.98 3ia2 s HIS 26 Cb -0.18 -3.44 0.10 0.00 -1.43 0.00 0.00 32.58 27.62 3ia2 s HIS 26 CO -0.07 -2.29 0.64 0.41 -2.00 0.00 0.00 174.74 171.43 3ia2 n GLY 27 N -2.48 0.13 3.77 -1.38 0.00 -1.20 -3.25 105.19 100.79 3ia2 n GLY 27 Ca 0.07 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.99 2.71 0.00 1.61 -0.00 -1.26 -3.26 118.94 116.75 3ia2 s TRP 28 Ca 0.40 1.05 0.00 0.00 -0.00 0.00 0.00 56.10 57.55 3ia2 s TRP 28 Cb -0.02 -4.00 0.00 0.00 -0.00 0.00 0.00 33.47 29.45 3ia2 s TRP 28 CO 0.27 -3.08 0.00 1.28 -0.00 0.00 0.00 176.95 175.42 3ia2 n LEU 29 N 1.19 0.00 0.00 5.86 4.77 -1.26 -4.96 117.00 122.61 3ia2 n LEU 29 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ia2 n LEU 29 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3ia2 n LEU 29 CO 0.63 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.87 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.20 -3.29 117.00 119.51 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 -0.04 0.00 -0.90 -1.33 0.00 0.00 177.39 175.12 3ia2 n ASP 31 N -0.22 0.00 0.24 -1.43 5.68 -1.26 -4.39 116.55 115.16 3ia2 n ASP 31 Ca 0.00 -0.75 0.18 0.00 -0.50 0.00 0.00 54.79 53.72 3ia2 n ASP 31 Cb 0.00 0.00 0.88 0.00 -1.14 0.00 0.00 41.12 40.86 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 1.87 1.63 0.00 2.12 0.00 -1.90 -1.44 119.26 121.53 3ia2 h ALA 32 Ca 0.00 -0.01 0.00 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 -0.30 0.00 -0.44 0.00 0.00 0.00 179.25 178.51 3ia2 h ASP 33 N 0.00 0.00 0.32 0.00 5.19 -1.95 -2.19 116.42 117.79 3ia2 h ASP 33 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3ia2 h ASP 33 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3ia2 h ASP 33 CO -0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3ia2 h MET 34 N 0.00 0.00 -0.12 3.56 -0.00 -1.67 -2.27 114.93 114.43 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 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 3ia2 h MET 34 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.82 3ia2 n TRP 35 N -3.00 0.12 -0.34 -0.10 7.02 -0.82 -4.68 117.44 115.64 3ia2 n TRP 35 Ca -0.02 -0.06 0.11 0.00 -1.02 0.00 0.00 57.50 56.51 3ia2 n TRP 35 Cb 0.14 -0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.33 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 4.61 0.73 -0.25 -0.99 4.11 -1.54 -0.01 114.58 121.25 3ia2 h GLU 36 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 3ia2 h GLU 36 Cb 0.99 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3ia2 h GLU 36 CO 0.00 0.48 -0.60 1.88 0.07 0.00 0.00 179.01 180.84 3ia2 h TYR 37 N 0.75 1.04 -0.60 2.06 0.05 -1.84 -1.68 116.97 116.76 3ia2 h TYR 37 Ca 0.55 -0.39 -0.10 0.00 0.05 0.00 0.00 58.73 58.84 3ia2 h TYR 37 Cb 0.82 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 3ia2 h TYR 37 CO -0.02 1.21 -0.02 1.96 -1.05 0.00 0.00 178.16 180.23 3ia2 h GLN 38 N 0.61 1.07 -0.23 4.88 7.50 -1.60 -1.34 115.11 125.99 3ia2 h GLN 38 Ca -0.00 -0.35 -0.02 0.00 0.50 0.00 0.00 58.65 58.79 3ia2 h GLN 38 Cb 1.20 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 3ia2 h GLN 38 CO 0.13 1.05 0.09 0.52 -1.50 0.00 0.00 178.83 179.11 3ia2 h MET 39 N 0.97 0.35 -0.51 1.46 2.86 -1.00 -1.15 114.93 117.91 3ia2 h MET 39 Ca 0.17 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3ia2 h MET 39 Cb 0.58 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 3ia2 h MET 39 CO 0.03 0.41 0.17 1.49 1.06 0.00 0.00 176.91 180.08 3ia2 h GLU 40 N 0.22 0.79 -0.18 1.72 4.22 -1.28 -0.19 114.58 119.88 3ia2 h GLU 40 Ca 0.08 -0.17 0.03 0.00 0.08 0.00 0.00 59.36 59.38 3ia2 h GLU 40 Cb 0.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ia2 h GLU 40 CO -0.01 0.73 -0.00 -0.92 -2.18 0.00 0.00 179.01 176.63 3ia2 h TYR 41 N 0.70 -0.02 0.09 0.92 3.20 -1.10 -2.16 116.97 118.60 3ia2 h TYR 41 Ca 0.17 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.78 3ia2 h TYR 41 Cb 0.26 0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.58 3ia2 h TYR 41 CO 0.01 -0.03 -1.16 -0.07 -1.64 0.00 0.00 178.16 175.27 3ia2 h LEU 42 N 0.05 0.67 -0.94 2.82 3.38 -1.12 -3.24 115.31 116.94 3ia2 h LEU 42 Ca 0.08 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 3ia2 h LEU 42 Cb 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ia2 h LEU 42 CO -0.15 1.44 -0.17 0.28 0.09 0.00 0.00 178.44 179.94 3ia2 h SER 43 N 0.21 0.00 -0.04 -0.43 0.02 -1.01 -0.69 113.55 111.62 3ia2 h SER 43 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3ia2 h SER 43 Cb 1.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.38 3ia2 h SER 43 CO 0.21 0.17 0.00 -1.54 -1.14 0.00 0.00 176.83 174.53 3ia2 n SER 44 N -3.26 0.88 -0.72 3.07 3.41 -0.82 -3.72 113.62 112.47 3ia2 n SER 44 Ca 0.01 -1.38 0.06 0.00 -0.26 0.00 0.00 58.87 57.30 3ia2 n SER 44 Cb 0.44 -0.02 0.15 0.00 -0.26 0.00 0.00 64.21 64.52 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 -0.28 1.11 -0.12 4.33 1.74 -0.31 -4.99 116.66 118.14 3ia2 n ARG 45 Ca 0.19 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 3ia2 n ARG 45 Cb 0.24 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.49 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 -0.75 0.85 3.55 -0.13 0.00 -1.11 -5.01 105.19 102.60 3ia2 n GLY 46 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.06 2.63 -0.18 1.61 2.02 -0.90 -4.33 117.35 116.15 3ia2 s TYR 47 Ca 0.00 -0.22 -0.15 0.00 -0.37 0.00 0.00 57.07 56.33 3ia2 s TYR 47 Cb 0.00 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 3ia2 s TYR 47 CO 0.00 0.47 0.37 0.50 -1.57 0.00 0.00 175.55 175.32 3ia2 s ARG 48 N -2.55 4.22 -0.07 -0.62 3.52 -0.78 -3.80 118.95 118.87 3ia2 s ARG 48 Ca 0.23 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3ia2 s ARG 48 Cb -0.10 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3ia2 s ARG 48 CO 0.14 0.08 -0.21 0.95 -0.81 0.00 0.00 175.30 175.45 3ia2 s THR 49 N 0.95 2.44 -0.03 4.11 -4.23 0.38 -0.18 115.64 119.09 3ia2 s THR 49 Ca 0.19 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 3ia2 s THR 49 Cb -0.14 -1.94 -0.00 0.00 1.34 0.00 0.00 72.50 71.76 3ia2 s THR 49 CO 0.07 0.56 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.94 3ia2 s ILE 50 N -0.11 1.17 -0.12 2.99 1.09 0.07 -0.39 121.20 125.89 3ia2 s ILE 50 Ca -0.04 -0.58 -0.07 0.00 -1.10 0.00 0.00 60.65 58.86 3ia2 s ILE 50 Cb -0.14 -1.01 0.05 0.00 -1.06 0.00 0.00 42.46 40.30 3ia2 s ILE 50 CO 0.04 0.34 0.29 0.00 -0.10 0.00 0.00 174.94 175.51 3ia2 s ALA 51 N 0.03 -0.68 0.24 9.38 0.00 -0.61 -0.29 121.76 129.82 3ia2 s ALA 51 Ca -0.02 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.11 3ia2 s ALA 51 Cb -0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3ia2 s ALA 51 CO 0.01 -0.20 0.02 -0.59 0.00 0.00 0.00 175.76 175.00 3ia2 s PHE 52 N 1.14 2.78 -0.28 0.00 -0.71 -1.25 -0.51 117.98 119.15 3ia2 s PHE 52 Ca -0.08 -0.19 -0.19 0.00 -1.04 0.00 0.00 56.93 55.43 3ia2 s PHE 52 Cb -0.09 -1.27 -0.02 0.00 -1.21 0.00 0.00 43.02 40.44 3ia2 s PHE 52 CO -0.08 0.58 0.59 -0.51 -1.34 0.00 0.00 175.22 174.45 3ia2 s ASP 53 N -3.49 6.49 0.49 1.98 1.01 -0.00 -3.84 116.67 119.30 3ia2 s ASP 53 Ca 0.30 0.50 -0.23 0.00 0.71 0.00 0.00 52.55 53.84 3ia2 s ASP 53 Cb -0.07 -2.31 -0.08 0.00 1.01 0.00 0.00 42.92 41.47 3ia2 s ASP 53 CO 0.20 -0.39 1.19 -1.14 0.21 0.00 0.00 175.17 175.24 3ia2 n ARG 54 N 5.72 1.55 -1.56 8.23 0.63 -1.26 -4.40 116.66 125.57 3ia2 n ARG 54 Ca -0.02 0.57 -0.51 0.00 -0.92 0.00 0.00 57.85 56.96 3ia2 n ARG 54 Cb 0.49 -2.33 -0.05 0.00 0.45 0.00 0.00 32.46 31.02 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 -0.45 0.92 -0.54 -0.14 1.85 -1.26 -0.67 116.66 116.37 3ia2 n ARG 55 Ca 0.10 0.33 0.00 0.00 -1.00 0.00 0.00 57.85 57.27 3ia2 n ARG 55 Cb 0.42 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 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 2.09 0.87 3.28 2.89 0.00 0.04 -4.96 105.19 109.40 3ia2 n GLY 56 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.12 1.47 0.00 1.61 0.40 0.15 -0.25 117.98 118.24 3ia2 s PHE 57 Ca 0.00 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 3ia2 s PHE 57 Cb 0.00 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.80 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 0.05 3.39 1.08 4.36 0.00 -1.26 -1.74 105.19 111.07 3ia2 n GLY 58 Ca -0.12 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 2.38 -2.34 1.61 1.74 -1.26 -4.63 116.66 128.15 3ia2 n ARG 59 Ca 0.00 -2.12 -0.28 0.00 -0.77 0.00 0.00 57.85 54.68 3ia2 n ARG 59 Cb 0.00 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.26 5.91 0.96 0.55 0.01 -0.71 -4.56 113.70 114.60 3ia2 s SER 60 Ca 0.40 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.49 3ia2 s SER 60 Cb 0.22 -2.04 0.17 0.00 0.21 0.00 0.00 66.02 64.58 3ia2 s SER 60 CO 0.29 -0.89 1.11 -1.81 0.41 0.00 0.00 173.24 172.35 3ia2 s ASP 61 N -4.22 2.69 -0.68 2.44 1.01 -0.36 -4.55 116.67 113.00 3ia2 s ASP 61 Ca 0.52 1.92 0.05 0.00 0.71 0.00 0.00 52.55 55.76 3ia2 s ASP 61 Cb -0.11 -2.46 0.20 0.00 1.01 0.00 0.00 42.92 41.57 3ia2 s ASP 61 CO 0.47 -3.20 0.60 0.00 0.21 0.00 0.00 175.17 173.25 3ia2 n GLN 62 N -4.28 2.10 -2.15 8.23 6.02 -1.26 -0.78 117.38 125.27 3ia2 n GLN 62 Ca 0.09 -4.55 -0.37 0.00 -0.01 0.00 0.00 57.00 52.16 3ia2 n GLN 62 Cb 0.53 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 -1.88 3.62 0.22 -1.09 0.04 -1.26 -4.94 135.00 129.71 3ia2 s PRO 63 Ca 0.31 1.89 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 3ia2 s PRO 63 Cb 0.04 -2.38 0.19 0.00 0.04 0.00 0.00 34.50 32.39 3ia2 s PRO 63 CO -0.10 -0.69 1.55 2.35 0.04 0.00 0.00 177.00 180.14 3ia2 h TRP 64 N 1.93 0.56 -1.87 0.56 2.91 -2.01 -3.45 115.95 114.58 3ia2 h TRP 64 Ca -0.50 -0.19 -0.50 0.00 1.13 0.00 0.00 58.89 58.83 3ia2 h TRP 64 Cb 1.26 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 29.76 3ia2 h TRP 64 CO 0.52 0.88 -0.46 0.95 -1.03 0.00 0.00 178.44 179.30 3ia2 s THR 65 N -3.99 3.53 0.00 2.65 -4.23 -1.26 -4.68 115.64 107.66 3ia2 s THR 65 Ca -0.06 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3ia2 s THR 65 Cb 0.12 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3ia2 s THR 65 CO 0.82 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 3ia2 n GLY 66 N -1.34 0.57 2.61 3.99 0.00 -1.26 -4.95 105.19 104.80 3ia2 n GLY 66 Ca -0.02 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 0.58 6.40 -3.91 1.61 3.02 -1.26 -4.47 115.26 117.23 3ia2 n ASN 67 Ca 0.00 -2.95 -0.09 0.00 -0.03 0.00 0.00 54.58 51.51 3ia2 n ASN 67 Cb 0.00 -1.50 -0.07 0.00 -0.61 0.00 0.00 39.78 37.60 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 1.50 0.01 0.33 6.41 1.47 -1.26 -4.60 116.67 120.53 3ia2 s ASP 68 Ca 0.51 -0.79 0.05 0.00 1.18 0.00 0.00 52.55 53.51 3ia2 s ASP 68 Cb 0.15 0.44 0.57 0.00 -0.34 0.00 0.00 42.92 43.74 3ia2 s ASP 68 CO -0.06 -0.89 1.82 1.88 0.68 0.00 0.00 175.17 178.61 3ia2 h TYR 69 N 2.53 0.45 -0.56 2.11 0.05 -1.93 -0.14 116.97 119.49 3ia2 h TYR 69 Ca -0.32 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.37 3ia2 h TYR 69 Cb 1.23 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 3ia2 h TYR 69 CO 0.39 0.55 0.24 -0.44 -1.05 0.00 0.00 178.16 177.86 3ia2 h ASP 70 N 0.39 0.75 -0.31 3.88 3.32 -1.97 -0.29 116.42 122.19 3ia2 h ASP 70 Ca 0.07 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 3ia2 h ASP 70 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3ia2 h ASP 70 CO 0.03 0.70 -0.23 0.74 -1.72 0.00 0.00 179.24 178.76 3ia2 h THR 71 N 0.76 1.30 -0.77 0.35 2.02 -1.70 -1.89 112.91 112.97 3ia2 h THR 71 Ca 0.19 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.07 3ia2 h THR 71 Cb 0.17 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 3ia2 h THR 71 CO -0.02 0.44 0.45 -0.26 0.37 0.00 0.00 175.52 176.50 3ia2 h PHE 72 N 0.46 0.82 -0.62 3.16 0.04 -0.88 0.72 116.94 120.64 3ia2 h PHE 72 Ca 0.06 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.76 3ia2 h PHE 72 Cb 0.78 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 3ia2 h PHE 72 CO 0.07 0.38 0.03 0.00 -0.60 0.00 0.00 178.31 178.19 3ia2 h ALA 73 N 1.40 0.87 -0.12 2.45 0.00 -0.93 -2.26 119.26 120.67 3ia2 h ALA 73 Ca 0.35 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3ia2 h ALA 73 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ia2 h ALA 73 CO -0.20 0.67 -0.42 -0.44 0.00 0.00 0.00 179.25 178.86 3ia2 h ASP 74 N 0.99 0.29 -0.18 0.00 3.32 -0.63 -1.31 116.42 118.89 3ia2 h ASP 74 Ca 0.18 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3ia2 h ASP 74 Cb 0.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3ia2 h ASP 74 CO 0.03 0.68 0.08 0.44 -1.72 0.00 0.00 179.24 178.74 3ia2 h ASP 75 N 0.23 0.11 -0.79 6.45 3.32 -0.57 -0.11 116.42 125.05 3ia2 h ASP 75 Ca 0.02 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3ia2 h ASP 75 Cb 0.84 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 3ia2 h ASP 75 CO 0.07 0.09 0.51 0.40 -1.72 0.00 0.00 179.24 178.59 3ia2 h ILE 76 N 0.17 1.15 -0.77 0.35 2.04 -1.15 -1.01 117.51 118.30 3ia2 h ILE 76 Ca 0.07 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3ia2 h ILE 76 Cb 0.03 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.10 3ia2 h ILE 76 CO -0.06 0.19 0.48 0.00 0.00 0.00 0.00 178.15 178.75 3ia2 h ALA 77 N 1.32 1.02 -0.53 1.87 0.00 -0.79 -0.60 119.26 121.54 3ia2 h ALA 77 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3ia2 h ALA 77 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ia2 h ALA 77 CO -0.09 0.25 -0.03 1.96 0.00 0.00 0.00 179.25 181.33 3ia2 h GLN 78 N 0.91 0.92 -0.32 0.00 4.20 -0.41 -0.76 115.11 119.66 3ia2 h GLN 78 Ca 0.32 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3ia2 h GLN 78 Cb 0.07 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3ia2 h GLN 78 CO -0.13 0.94 0.10 1.25 -0.67 0.00 0.00 178.83 180.31 3ia2 h LEU 79 N 0.85 0.46 -0.79 1.46 5.85 -0.65 0.25 115.31 122.74 3ia2 h LEU 79 Ca 0.15 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 3ia2 h LEU 79 Cb 0.55 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3ia2 h LEU 79 CO 0.03 0.54 0.43 0.40 -0.34 0.00 0.00 178.44 179.50 3ia2 h ILE 80 N 0.35 1.24 -0.32 4.05 2.04 -0.96 -1.64 117.51 122.27 3ia2 h ILE 80 Ca 0.10 -0.60 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 3ia2 h ILE 80 Cb 0.25 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3ia2 h ILE 80 CO -0.00 0.27 -0.18 -0.33 0.00 0.00 0.00 178.15 177.91 3ia2 h GLU 81 N 1.10 0.69 -0.66 2.37 4.39 -0.98 0.20 114.58 121.69 3ia2 h GLU 81 Ca 0.28 -0.31 0.11 0.00 0.34 0.00 0.00 59.36 59.78 3ia2 h GLU 81 Cb 0.04 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.60 3ia2 h GLU 81 CO -0.04 0.91 0.24 1.25 -1.16 0.00 0.00 179.01 180.21 3ia2 h HIS 82 N 0.46 0.41 -0.01 4.33 2.76 -0.15 -1.33 115.15 121.62 3ia2 h HIS 82 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3ia2 h HIS 82 Cb 0.72 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.59 3ia2 h HIS 82 CO 0.06 0.07 -0.28 1.28 -1.30 0.00 0.00 177.93 177.77 3ia2 n LEU 83 N -5.01 1.39 -3.82 0.26 4.77 -0.65 -4.96 117.00 108.98 3ia2 n LEU 83 Ca 0.11 -0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 55.42 3ia2 n LEU 83 Cb 0.33 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3ia2 n LEU 83 CO 0.20 0.25 -0.13 -0.67 -1.33 0.00 0.00 177.39 175.71 3ia2 n ASP 84 N -0.34 -0.93 -4.78 -1.43 -0.08 0.55 -4.92 116.55 104.62 3ia2 n ASP 84 Ca 0.12 -0.90 -0.36 0.00 -1.51 0.00 0.00 54.79 52.14 3ia2 n ASP 84 Cb 0.39 -3.62 -0.04 0.00 2.34 0.00 0.00 41.12 40.19 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 4.14 0.06 -2.67 1.43 -0.40 -5.02 118.68 109.40 3ia2 s LEU 85 Ca 0.03 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.17 3ia2 s LEU 85 Cb -0.02 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 41.98 3ia2 s LEU 85 CO 0.85 -0.47 -0.07 -0.54 0.23 0.00 0.00 176.35 176.35 3ia2 s LYS 86 N -2.51 0.64 -1.51 1.70 1.02 -1.26 -4.85 119.74 112.97 3ia2 s LYS 86 Ca 0.58 -1.00 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 3ia2 s LYS 86 Cb -0.21 -0.21 0.08 0.00 -0.52 0.00 0.00 37.83 36.96 3ia2 s LYS 86 CO 0.27 0.01 0.94 0.39 -0.92 0.00 0.00 175.35 176.04 3ia2 n GLU 87 N 0.81 -5.35 -2.62 1.68 1.02 -0.87 -4.54 120.64 110.77 3ia2 n GLU 87 Ca -0.18 0.59 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 3ia2 n GLU 87 Cb 0.57 -5.42 -0.05 0.00 -0.02 0.00 0.00 31.44 26.52 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 -3.35 4.01 -0.31 2.62 1.01 -0.01 -4.29 120.40 120.08 3ia2 s VAL 88 Ca 0.58 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 64.26 3ia2 s VAL 88 Cb -0.29 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 3ia2 s VAL 88 CO 0.83 0.35 0.24 -0.89 0.00 0.00 0.00 175.10 175.64 3ia2 s THR 89 N -0.54 5.27 -0.08 3.92 2.01 -0.49 0.17 115.64 125.90 3ia2 s THR 89 Ca 0.46 0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.30 3ia2 s THR 89 Cb -0.27 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3ia2 s THR 89 CO 0.34 0.10 0.56 -0.76 -0.69 0.00 0.00 174.62 174.18 3ia2 s LEU 90 N 1.80 4.31 -0.13 4.42 1.43 -0.29 -0.96 118.68 129.27 3ia2 s LEU 90 Ca 0.08 0.99 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 3ia2 s LEU 90 Cb -0.17 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.23 3ia2 s LEU 90 CO 0.11 -0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 175.89 3ia2 s VAL 91 N 0.53 1.18 -0.03 -1.59 1.01 0.05 -0.04 120.40 121.52 3ia2 s VAL 91 Ca 0.30 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3ia2 s VAL 91 Cb -0.16 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3ia2 s VAL 91 CO 0.14 0.38 -0.19 -0.83 0.00 0.00 0.00 175.10 174.60 3ia2 s GLY 92 N 1.64 0.97 -0.09 4.51 0.00 -0.54 0.22 107.32 114.04 3ia2 s GLY 92 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3ia2 s GLY 92 CO -0.09 -0.57 -0.09 -0.12 0.00 0.00 0.00 173.10 172.23 3ia2 s PHE 93 N -0.25 2.89 0.00 1.90 5.36 -0.55 -0.72 117.98 126.60 3ia2 s PHE 93 Ca 0.02 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 3ia2 s PHE 93 Cb -0.10 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 3ia2 s PHE 93 CO 0.01 0.15 0.00 0.45 -1.46 0.00 0.00 175.22 174.36 3ia2 n SER 94 N 2.70 0.00 0.27 6.13 2.88 -0.34 -0.15 113.62 125.11 3ia2 n SER 94 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 3ia2 n SER 94 Cb 0.53 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.80 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 -1.99 114.93 109.63 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 1.36 0.00 1.67 -3.00 0.00 -0.52 -1.88 103.07 100.69 3ia2 h GLY 96 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3ia2 h GLY 96 CO 0.00 0.00 -0.06 -1.33 0.00 0.00 0.00 176.54 175.15 3ia2 h GLY 97 N 2.57 0.44 0.85 4.60 0.00 -1.43 -3.13 103.07 106.98 3ia2 h GLY 97 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3ia2 h GLY 97 CO 0.00 0.25 0.03 -1.33 0.00 0.00 0.00 176.54 175.49 3ia2 h GLY 98 N 0.80 0.44 2.00 4.60 0.00 -1.49 -2.67 103.07 106.75 3ia2 h GLY 98 Ca 0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3ia2 h GLY 98 CO 0.02 0.28 -0.52 1.29 0.00 0.00 0.00 176.54 177.60 3ia2 h ASP 99 N 0.20 0.00 0.02 0.19 3.04 -1.60 0.33 116.42 118.60 3ia2 h ASP 99 Ca 0.07 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.69 3ia2 h ASP 99 Cb 0.35 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.64 3ia2 h ASP 99 CO 0.01 0.52 -0.59 -0.37 -2.04 0.00 0.00 179.24 176.77 3ia2 h VAL 100 N 0.00 1.32 -0.26 4.15 -1.51 -1.62 -0.25 116.25 118.08 3ia2 h VAL 100 Ca -0.01 -1.85 -0.05 0.00 -1.23 0.00 0.00 66.70 63.57 3ia2 h VAL 100 Cb 1.28 1.82 -0.01 0.00 -2.13 0.00 0.00 31.29 32.25 3ia2 h VAL 100 CO 0.07 0.57 -0.03 0.00 -1.23 0.00 0.00 177.57 176.95 3ia2 h ALA 101 N 0.92 0.36 -0.04 5.19 0.00 -1.32 -2.72 119.26 121.64 3ia2 h ALA 101 Ca -0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3ia2 h ALA 101 Cb 1.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3ia2 h ALA 101 CO 0.11 0.13 -0.28 -0.09 0.00 0.00 0.00 179.25 179.12 3ia2 h ARG 102 N 0.25 0.07 0.18 0.00 9.65 -0.91 -1.57 114.38 122.06 3ia2 h ARG 102 Ca 0.07 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3ia2 h ARG 102 Cb 0.47 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3ia2 h ARG 102 CO 0.02 0.35 -0.09 -0.92 2.80 0.00 0.00 179.97 182.13 3ia2 h TYR 103 N 0.07 -0.23 -0.59 2.20 3.20 -0.89 -0.55 116.97 120.19 3ia2 h TYR 103 Ca 0.01 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3ia2 h TYR 103 Cb 0.53 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 3ia2 h TYR 103 CO 0.00 -0.14 0.36 0.82 -1.64 0.00 0.00 178.16 177.56 3ia2 h ILE 104 N -0.24 1.06 -0.77 1.81 2.04 -1.16 0.16 117.51 120.41 3ia2 h ILE 104 Ca -0.02 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3ia2 h ILE 104 Cb 0.19 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3ia2 h ILE 104 CO 0.04 0.13 0.45 0.00 0.00 0.00 0.00 178.15 178.77 3ia2 h ALA 105 N 1.26 0.98 0.00 1.87 0.00 -1.10 0.35 119.26 122.62 3ia2 h ALA 105 Ca 0.24 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 3ia2 h ALA 105 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3ia2 h ALA 105 CO -0.10 0.46 -1.14 0.00 0.00 0.00 0.00 179.25 178.46 3ia2 h ARG 106 N 1.05 0.00 0.00 0.00 3.08 -0.77 -3.39 114.38 114.35 3ia2 h ARG 106 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3ia2 h ARG 106 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3ia2 h ARG 106 CO -0.05 0.72 0.00 0.72 -1.07 0.00 0.00 179.97 180.29 3ia2 n HIS 107 N -3.21 0.00 -0.83 3.04 8.25 0.54 -5.09 115.22 117.92 3ia2 n HIS 107 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3ia2 n HIS 107 Cb 0.93 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 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 0.67 -2.44 0.43 -1.41 0.00 0.12 -4.71 105.19 97.85 3ia2 n GLY 108 Ca 0.00 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.45 2.21 -0.00 1.61 3.41 -1.26 -4.48 113.62 114.65 3ia2 n SER 109 Ca 0.00 -3.47 0.03 0.00 -0.26 0.00 0.00 58.87 55.17 3ia2 n SER 109 Cb 0.00 -0.49 0.39 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.60 1.62 -0.27 7.33 0.00 -1.98 -2.00 119.26 124.56 3ia2 h ALA 110 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ia2 h ALA 110 Cb 1.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ia2 h ALA 110 CO 0.05 0.32 0.00 0.54 0.00 0.00 0.00 179.25 180.16 3ia2 n ARG 111 N -4.42 2.23 -4.53 0.00 1.74 -1.26 -4.74 116.66 105.68 3ia2 n ARG 111 Ca 0.03 -1.84 -0.34 0.00 -0.77 0.00 0.00 57.85 54.93 3ia2 n ARG 111 Cb 0.11 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 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 -1.66 3.68 -0.09 1.55 1.01 -0.75 -0.83 120.40 123.31 3ia2 s VAL 112 Ca 0.36 -0.44 0.20 0.00 0.00 0.00 0.00 61.98 62.09 3ia2 s VAL 112 Cb 0.21 -2.58 -0.29 0.00 0.00 0.00 0.00 36.38 33.72 3ia2 s VAL 112 CO 0.30 0.52 0.31 0.00 0.00 0.00 0.00 175.10 176.23 3ia2 n ALA 113 N 3.26 2.29 -3.65 5.51 0.00 0.13 -4.76 120.51 123.29 3ia2 n ALA 113 Ca -0.18 -0.80 -0.03 0.00 0.00 0.00 0.00 53.44 52.44 3ia2 n ALA 113 Cb 0.53 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -4.78 -0.34 -0.01 0.00 0.00 -1.18 -4.32 107.32 96.70 3ia2 s GLY 114 Ca -0.08 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.28 3ia2 s GLY 114 CO 0.84 0.16 -0.02 -2.27 0.00 0.00 0.00 173.10 171.82 3ia2 s LEU 115 N -2.77 1.68 -0.10 0.66 2.96 -0.35 -1.13 118.68 119.62 3ia2 s LEU 115 Ca 0.11 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3ia2 s LEU 115 Cb 0.01 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.54 3ia2 s LEU 115 CO -0.02 -0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 3ia2 s VAL 116 N 0.36 1.25 -0.30 1.68 1.01 0.95 -0.69 120.40 124.65 3ia2 s VAL 116 Ca -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3ia2 s VAL 116 Cb -0.06 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3ia2 s VAL 116 CO -0.01 0.39 0.00 -0.76 0.00 0.00 0.00 175.10 174.73 3ia2 s LEU 117 N 1.07 3.85 -0.27 3.92 1.43 -0.04 -1.46 118.68 127.19 3ia2 s LEU 117 Ca -0.06 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.76 3ia2 s LEU 117 Cb -0.15 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3ia2 s LEU 117 CO -0.02 -0.25 0.06 -0.76 0.23 0.00 0.00 176.35 175.61 3ia2 s LEU 118 N 1.28 3.56 -1.75 1.79 1.43 0.10 -1.04 118.68 124.05 3ia2 s LEU 118 Ca -0.04 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 3ia2 s LEU 118 Cb -0.19 -1.88 0.17 0.00 0.03 0.00 0.00 46.19 44.31 3ia2 s LEU 118 CO -0.01 -0.11 0.64 0.61 0.23 0.00 0.00 176.35 177.72 3ia2 n GLY 119 N 4.88 -0.39 3.87 -3.19 0.00 0.09 -1.20 105.19 109.25 3ia2 n GLY 119 Ca -0.16 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.39 3.34 -1.03 4.61 0.00 -1.26 -2.97 121.76 121.06 3ia2 s ALA 120 Ca 0.68 -0.17 0.21 0.00 0.00 0.00 0.00 51.96 52.69 3ia2 s ALA 120 Cb -0.38 -2.72 0.92 0.00 0.00 0.00 0.00 23.12 20.94 3ia2 s ALA 120 CO 0.97 0.01 1.69 1.33 0.00 0.00 0.00 175.76 179.76 3ia2 n VAL 121 N -1.23 0.52 -2.07 0.00 0.24 -0.99 -4.27 118.33 110.53 3ia2 n VAL 121 Ca 0.03 0.13 -0.36 0.00 -2.04 0.00 0.00 64.34 62.09 3ia2 n VAL 121 Cb 0.54 -0.76 0.02 0.00 -1.47 0.00 0.00 33.84 32.17 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 -2.97 2.73 -0.74 3.34 -4.23 -1.26 -2.26 115.64 110.25 3ia2 s THR 122 Ca 0.11 0.49 0.25 0.00 -1.18 0.00 0.00 61.69 61.36 3ia2 s THR 122 Cb 0.14 -3.22 0.13 0.00 1.34 0.00 0.00 72.50 70.89 3ia2 s THR 122 CO 0.39 -0.06 1.51 -0.81 -0.54 0.00 0.00 174.62 175.11 3ia2 n PRO 123 N -1.19 0.22 -3.57 3.99 -0.04 -1.26 -3.65 135.00 129.50 3ia2 n PRO 123 Ca 0.11 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3ia2 n PRO 123 Cb 0.49 -1.68 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 3ia2 n PRO 123 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3ia2 s LEU 124 N -4.06 -0.40 -0.09 1.53 2.34 -0.96 0.04 118.68 117.09 3ia2 s LEU 124 Ca 0.09 0.41 -0.12 0.00 0.06 0.00 0.00 54.13 54.57 3ia2 s LEU 124 Cb 0.14 1.93 -0.04 0.00 -0.56 0.00 0.00 46.19 47.66 3ia2 s LEU 124 CO 0.67 -0.38 -0.23 0.33 -1.06 0.00 0.00 176.35 175.68 3ia2 n PHE 125 N 0.69 0.00 -2.08 3.48 -0.00 -1.21 -4.66 117.46 113.67 3ia2 n PHE 125 Ca -0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.06 3ia2 n PHE 125 Cb 0.58 -0.33 0.06 0.00 -0.00 0.00 0.00 39.48 39.79 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 -4.59 1.63 0.40 7.13 0.00 -0.93 -1.64 107.32 109.32 3ia2 s GLY 126 Ca -0.19 -0.61 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 3ia2 s GLY 126 CO 0.28 -0.23 1.41 1.20 0.00 0.00 0.00 173.10 175.76 3ia2 s GLN 127 N -5.29 4.00 0.27 2.90 -0.21 -0.36 -4.50 119.66 116.47 3ia2 s GLN 127 Ca 0.58 2.41 0.03 0.00 0.02 0.00 0.00 55.36 58.40 3ia2 s GLN 127 Cb -0.11 -2.86 -0.06 0.00 1.00 0.00 0.00 33.01 30.99 3ia2 s GLN 127 CO 0.48 -0.56 0.04 0.15 -2.12 0.00 0.00 175.29 173.29 3ia2 s LYS 128 N -2.18 1.46 0.29 2.91 -0.14 -1.00 -4.91 119.74 116.17 3ia2 s LYS 128 Ca 0.55 -1.77 0.04 0.00 -1.36 0.00 0.00 55.97 53.43 3ia2 s LYS 128 Cb -0.43 -0.60 0.67 0.00 -1.68 0.00 0.00 37.83 35.79 3ia2 s LYS 128 CO 0.57 -0.18 1.78 -1.35 -0.76 0.00 0.00 175.35 175.42 3ia2 h PRO 129 N 2.34 0.76 -0.65 -1.68 0.11 -2.02 0.56 132.00 131.42 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 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ia2 h PRO 129 CO 0.65 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.55 3ia2 n ASP 130 N -4.76 4.88 -3.12 -2.05 5.75 -1.26 -4.49 116.55 111.51 3ia2 n ASP 130 Ca 0.22 -2.49 -0.17 0.00 -0.01 0.00 0.00 54.79 52.34 3ia2 n ASP 130 Cb 0.51 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.10 0.07 0.29 2.11 9.36 0.18 -4.93 117.16 125.34 3ia2 n TYR 131 Ca 0.26 -3.63 0.16 0.00 3.32 0.00 0.00 57.90 58.01 3ia2 n TYR 131 Cb 0.92 -0.29 0.78 0.00 -0.63 0.00 0.00 39.34 40.13 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 2.99 0.00 0.00 2.98 0.13 -1.76 -2.12 132.00 134.22 3ia2 h PRO 132 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3ia2 h PRO 132 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3ia2 h PRO 132 CO 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 3ia2 n GLN 133 N -2.71 0.11 -1.02 0.86 0.00 -1.26 -4.81 117.38 108.55 3ia2 n GLN 133 Ca -0.01 0.25 -0.29 0.00 0.00 0.00 0.00 57.00 56.95 3ia2 n GLN 133 Cb 0.15 -1.68 0.22 0.00 0.00 0.00 0.00 30.24 28.94 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 -3.29 1.56 0.00 2.61 0.00 -0.83 -4.95 107.32 102.42 3ia2 s GLY 134 Ca 0.08 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 3ia2 s GLY 134 CO 0.42 0.10 1.22 0.14 0.00 0.00 0.00 173.10 174.99 3ia2 s VAL 135 N -2.90 4.10 0.32 1.40 1.01 -0.65 -4.33 120.40 119.35 3ia2 s VAL 135 Ca 0.69 1.47 -0.29 0.00 0.00 0.00 0.00 61.98 63.85 3ia2 s VAL 135 Cb -0.14 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.17 3ia2 s VAL 135 CO 0.57 0.05 1.35 -2.65 0.00 0.00 0.00 175.10 174.42 3ia2 n PRO 136 N 4.67 2.19 0.29 2.72 -0.02 -1.26 -1.23 135.00 142.37 3ia2 n PRO 136 Ca 0.10 0.77 0.17 0.00 -2.02 0.00 0.00 63.50 62.52 3ia2 n PRO 136 Cb 0.46 -2.39 0.88 0.00 -0.02 0.00 0.00 33.50 32.43 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 3.09 0.00 -1.39 2.45 3.38 -1.93 -1.73 115.31 119.19 3ia2 h LEU 137 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ia2 h LEU 137 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3ia2 h LEU 137 CO 0.67 0.05 0.00 -2.24 0.09 0.00 0.00 178.44 177.01 3ia2 h ASP 138 N 0.00 0.00 -0.36 -0.43 2.03 -1.98 0.23 116.42 115.90 3ia2 h ASP 138 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 3ia2 h ASP 138 Cb 0.25 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.73 3ia2 h ASP 138 CO 0.01 0.00 0.12 0.58 -1.03 0.00 0.00 179.24 178.91 3ia2 h VAL 139 N 0.00 1.21 -0.08 4.15 2.07 -1.67 -1.86 116.25 120.07 3ia2 h VAL 139 Ca 0.00 -0.67 -0.18 0.00 0.82 0.00 0.00 66.70 66.67 3ia2 h VAL 139 Cb 0.53 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3ia2 h VAL 139 CO 0.00 0.23 -0.71 -0.26 0.02 0.00 0.00 177.57 176.85 3ia2 h PHE 140 N 0.43 0.49 -0.98 1.57 0.04 -1.50 -2.33 116.94 114.67 3ia2 h PHE 140 Ca 0.12 -0.22 0.08 0.00 2.80 0.00 0.00 57.97 60.75 3ia2 h PHE 140 Cb 0.24 -0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 3ia2 h PHE 140 CO 0.01 0.96 0.63 0.00 -0.60 0.00 0.00 178.31 179.30 3ia2 h ALA 141 N 0.98 1.48 -0.18 2.45 0.00 -0.89 -1.44 119.26 121.67 3ia2 h ALA 141 Ca -0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 3ia2 h ALA 141 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3ia2 h ALA 141 CO 0.12 0.34 -0.52 0.00 0.00 0.00 0.00 179.25 179.19 3ia2 h ARG 142 N 1.07 0.51 -0.22 0.00 3.08 -1.07 -1.45 114.38 116.30 3ia2 h ARG 142 Ca 0.44 -0.31 0.06 0.00 0.07 0.00 0.00 59.98 60.24 3ia2 h ARG 142 Cb 0.28 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.30 3ia2 h ARG 142 CO -0.19 0.91 -0.25 0.74 -1.07 0.00 0.00 179.97 180.10 3ia2 h PHE 143 N 0.39 -0.67 -0.37 3.04 -1.00 -0.80 -1.20 116.94 116.33 3ia2 h PHE 143 Ca 0.01 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.84 3ia2 h PHE 143 Cb 1.05 0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.92 3ia2 h PHE 143 CO 0.04 -0.33 0.24 0.87 -1.61 0.00 0.00 178.31 177.52 3ia2 h LYS 144 N -0.27 0.47 -0.49 1.51 1.57 -1.05 0.39 116.57 118.69 3ia2 h LYS 144 Ca 0.13 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 3ia2 h LYS 144 Cb 0.47 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 3ia2 h LYS 144 CO -0.38 0.31 0.15 1.15 -0.57 0.00 0.00 179.45 180.11 3ia2 h THR 145 N 0.48 0.80 -0.31 -0.16 2.02 -0.98 -0.24 112.91 114.52 3ia2 h THR 145 Ca 0.14 -0.11 -0.16 0.00 0.77 0.00 0.00 66.41 67.05 3ia2 h THR 145 Cb -0.04 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3ia2 h THR 145 CO -0.04 0.06 -0.45 -0.33 0.37 0.00 0.00 175.52 175.13 3ia2 h GLU 146 N 0.31 0.81 -0.59 6.66 4.39 -0.86 -3.03 114.58 122.28 3ia2 h GLU 146 Ca 0.24 -0.46 -0.04 0.00 0.34 0.00 0.00 59.36 59.44 3ia2 h GLU 146 Cb 0.28 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3ia2 h GLU 146 CO -0.27 1.09 0.20 -0.07 -1.16 0.00 0.00 179.01 178.80 3ia2 h LEU 147 N 0.65 0.81 0.00 1.33 3.38 -0.51 -0.92 115.31 120.04 3ia2 h LEU 147 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ia2 h LEU 147 Cb 1.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ia2 h LEU 147 CO 0.10 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.56 3ia2 n LEU 148 N -4.30 0.00 -0.12 1.67 4.77 -0.14 -2.79 117.00 116.09 3ia2 n LEU 148 Ca 0.05 0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.93 3ia2 n LEU 148 Cb 0.19 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3ia2 n LEU 148 CO 0.39 -0.01 -1.27 0.29 -1.33 0.00 0.00 177.39 175.47 3ia2 n LYS 149 N -1.15 0.54 -3.02 3.23 5.02 -0.88 -4.96 118.16 116.94 3ia2 n LYS 149 Ca 0.17 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 3ia2 n LYS 149 Cb 0.16 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 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 -7.10 -0.91 0.34 4.39 -1.08 -0.40 -5.01 116.67 106.89 3ia2 s ASP 150 Ca -0.35 -1.57 0.13 0.00 -0.52 0.00 0.00 52.55 50.24 3ia2 s ASP 150 Cb 0.12 1.55 0.59 0.00 -1.46 0.00 0.00 42.92 43.72 3ia2 s ASP 150 CO 0.45 -0.12 1.74 0.08 0.52 0.00 0.00 175.17 177.84 3ia2 h ARG 151 N 5.87 0.00 -0.26 4.34 0.11 -1.69 -2.24 114.38 120.52 3ia2 h ARG 151 Ca 0.08 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 3ia2 h ARG 151 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 3ia2 h ARG 151 CO 0.09 0.46 0.13 0.00 0.10 0.00 0.00 179.97 180.76 3ia2 h ALA 152 N 1.54 0.33 -0.03 0.08 0.00 -1.94 -0.79 119.26 118.44 3ia2 h ALA 152 Ca -0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ia2 h ALA 152 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3ia2 h ALA 152 CO 0.06 -0.13 -0.63 0.37 0.00 0.00 0.00 179.25 178.93 3ia2 h GLN 153 N 0.30 0.12 -0.13 0.00 5.75 -1.95 -2.32 115.11 116.87 3ia2 h GLN 153 Ca 0.09 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3ia2 h GLN 153 Cb 0.09 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3ia2 h GLN 153 CO -0.01 0.71 -0.01 0.35 -2.65 0.00 0.00 178.83 177.21 3ia2 h PHE 154 N 0.09 -0.03 -0.48 3.99 3.57 -1.11 -0.09 116.94 122.89 3ia2 h PHE 154 Ca -0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.53 3ia2 h PHE 154 Cb 1.12 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3ia2 h PHE 154 CO 0.01 -0.03 0.27 0.82 -2.23 0.00 0.00 178.31 177.16 3ia2 h ILE 155 N 0.03 1.03 -0.44 1.41 2.04 -1.02 -0.43 117.51 120.14 3ia2 h ILE 155 Ca 0.06 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3ia2 h ILE 155 Cb 0.08 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3ia2 h ILE 155 CO -0.11 0.10 0.28 0.28 0.00 0.00 0.00 178.15 178.70 3ia2 h SER 156 N 0.55 0.47 0.42 1.72 0.02 -1.13 -1.86 113.55 113.75 3ia2 h SER 156 Ca 0.19 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3ia2 h SER 156 Cb 0.04 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3ia2 h SER 156 CO -0.10 0.34 -0.25 0.44 -1.14 0.00 0.00 176.83 176.12 3ia2 h ASP 157 N 0.57 0.00 0.63 3.07 3.32 -0.71 -2.93 116.42 120.38 3ia2 h ASP 157 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3ia2 h ASP 157 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3ia2 h ASP 157 CO -0.05 0.25 -0.31 0.15 -1.72 0.00 0.00 179.24 177.56 3ia2 h PHE 158 N 0.00 0.00 -0.69 4.55 3.04 -0.23 -3.24 116.94 120.37 3ia2 h PHE 158 Ca -0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.07 3ia2 h PHE 158 Cb 0.53 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 38.95 3ia2 h PHE 158 CO 0.00 0.31 0.24 -0.91 -2.02 0.00 0.00 178.31 175.93 3ia2 h ASN 159 N 0.00 0.20 0.92 0.41 2.35 -1.32 -1.09 115.58 117.04 3ia2 h ASN 159 Ca -0.00 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3ia2 h ASN 159 Cb 0.71 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.18 3ia2 h ASN 159 CO 0.04 0.08 -0.48 0.00 -1.65 0.00 0.00 177.43 175.42 3ia2 h ALA 160 N 1.51 -1.31 0.00 -0.83 0.00 -1.77 -1.23 119.26 115.63 3ia2 h ALA 160 Ca 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ia2 h ALA 160 Cb 0.55 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ia2 h ALA 160 CO -0.39 -1.24 -0.33 -1.00 0.00 0.00 0.00 179.25 176.29 3ia2 h PRO 161 N -1.29 0.00 -0.16 0.00 0.13 -1.76 0.80 132.00 129.72 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 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3ia2 h PRO 161 CO 0.18 0.33 0.08 0.35 -0.23 0.00 0.00 178.00 178.71 3ia2 h PHE 162 N 0.00 0.22 -0.01 1.56 3.04 -1.01 -3.13 116.94 117.61 3ia2 h PHE 162 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 3ia2 h PHE 162 Cb 0.76 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.20 3ia2 h PHE 162 CO 0.00 0.24 -0.34 0.66 -2.02 0.00 0.00 178.31 176.86 3ia2 n TYR 163 N -4.91 0.00 -1.69 0.41 4.01 -0.48 -1.00 117.16 113.50 3ia2 n TYR 163 Ca -0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.62 3ia2 n TYR 163 Cb 0.09 -0.07 -0.02 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 1.37 0.50 0.23 2.72 0.00 0.07 -4.69 105.19 105.39 3ia2 n GLY 164 Ca 0.11 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.55 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 1.10 0.00 -0.61 2.04 -1.18 0.01 117.51 118.87 3ia2 h ILE 165 Ca -0.17 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3ia2 h ILE 165 Cb 0.82 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3ia2 h ILE 165 CO 0.22 0.13 0.00 -0.46 0.00 0.00 0.00 178.15 178.04 3ia2 n ASN 166 N -4.38 0.00 -0.48 1.72 6.94 -1.24 -3.17 115.26 114.65 3ia2 n ASN 166 Ca -0.03 -0.25 0.06 0.00 -0.02 0.00 0.00 54.58 54.34 3ia2 n ASN 166 Cb 0.20 -0.20 0.10 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.20 0.85 -0.01 -3.83 4.76 -0.07 -5.00 118.16 113.66 3ia2 n LYS 167 Ca 0.13 -2.26 0.00 0.00 -2.87 0.00 0.00 58.31 53.31 3ia2 n LYS 167 Cb 0.16 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 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 -0.75 0.25 3.77 0.72 0.00 -1.10 -5.07 105.19 103.01 3ia2 n GLY 168 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.98 3.54 -0.24 1.61 -1.52 -0.80 -5.00 119.66 116.27 3ia2 s GLN 169 Ca 0.00 1.68 -0.03 0.00 -1.95 0.00 0.00 55.36 55.06 3ia2 s GLN 169 Cb 0.00 -2.18 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 3ia2 s GLN 169 CO 0.00 -0.71 -0.04 0.08 -0.25 0.00 0.00 175.29 174.37 3ia2 s VAL 170 N -1.68 3.17 -0.04 1.09 1.01 -1.26 -4.32 120.40 118.37 3ia2 s VAL 170 Ca 0.69 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3ia2 s VAL 170 Cb -0.26 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3ia2 s VAL 170 CO 0.30 0.29 -0.03 -0.69 0.00 0.00 0.00 175.10 174.97 3ia2 s VAL 171 N 1.41 0.41 0.82 2.92 1.01 -1.26 -4.97 120.40 120.74 3ia2 s VAL 171 Ca 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 3ia2 s VAL 171 Cb -0.16 -0.46 0.09 0.00 0.00 0.00 0.00 36.38 35.85 3ia2 s VAL 171 CO -0.04 0.20 1.16 -0.94 0.00 0.00 0.00 175.10 175.48 3ia2 s SER 172 N 0.96 3.70 0.43 3.32 1.04 -1.26 -4.88 113.70 117.01 3ia2 s SER 172 Ca -0.11 2.17 0.12 0.00 0.48 0.00 0.00 55.95 58.62 3ia2 s SER 172 Cb -0.14 -2.57 0.94 0.00 0.10 0.00 0.00 66.02 64.35 3ia2 s SER 172 CO -0.01 -2.58 1.99 -0.61 0.98 0.00 0.00 173.24 173.01 3ia2 h GLN 173 N -1.15 0.14 -0.25 4.02 5.75 -2.01 -2.62 115.11 119.00 3ia2 h GLN 173 Ca -0.45 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.04 3ia2 h GLN 173 Cb 1.27 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 3ia2 h GLN 173 CO 0.46 0.25 0.14 0.78 -2.65 0.00 0.00 178.83 177.82 3ia2 h GLY 174 N 0.55 0.34 1.04 2.39 0.00 -1.99 0.11 103.07 105.51 3ia2 h GLY 174 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 3ia2 h GLY 174 CO 0.02 0.10 0.30 -2.08 0.00 0.00 0.00 176.54 174.87 3ia2 h VAL 175 N 0.29 1.25 -0.49 4.60 2.07 -1.84 -0.45 116.25 121.68 3ia2 h VAL 175 Ca 0.10 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 3ia2 h VAL 175 Cb 0.00 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ia2 h VAL 175 CO -0.05 0.32 0.03 1.56 0.02 0.00 0.00 177.57 179.45 3ia2 h GLN 176 N 1.08 0.80 -0.28 1.57 4.20 -1.13 0.21 115.11 121.57 3ia2 h GLN 176 Ca 0.25 -0.20 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3ia2 h GLN 176 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3ia2 h GLN 176 CO -0.02 0.79 -0.07 1.15 -0.67 0.00 0.00 178.83 180.01 3ia2 h THR 177 N 0.76 1.28 -0.73 -0.54 2.02 -0.46 -2.28 112.91 112.97 3ia2 h THR 177 Ca 0.15 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.19 3ia2 h THR 177 Cb 0.42 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3ia2 h THR 177 CO 0.01 0.34 0.24 -0.61 0.37 0.00 0.00 175.52 175.88 3ia2 h GLN 178 N 0.29 1.12 -0.23 6.66 4.15 -0.86 -0.31 115.11 125.93 3ia2 h GLN 178 Ca 0.07 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.27 3ia2 h GLN 178 Cb 0.54 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3ia2 h GLN 178 CO 0.03 0.94 0.13 1.15 -1.93 0.00 0.00 178.83 179.14 3ia2 h THR 179 N 1.08 1.01 -0.50 2.39 2.02 -0.87 -1.40 112.91 116.63 3ia2 h THR 179 Ca 0.24 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 3ia2 h THR 179 Cb 0.28 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3ia2 h THR 179 CO -0.01 0.05 0.07 0.25 0.37 0.00 0.00 175.52 176.24 3ia2 h LEU 180 N 0.26 0.81 -0.32 2.58 5.85 -1.17 -1.81 115.31 121.51 3ia2 h LEU 180 Ca 0.09 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.57 3ia2 h LEU 180 Cb 0.01 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3ia2 h LEU 180 CO -0.06 0.87 0.16 -0.61 -0.34 0.00 0.00 178.44 178.47 3ia2 h GLN 181 N 0.72 0.33 -0.37 1.25 4.15 -0.79 -1.68 115.11 118.71 3ia2 h GLN 181 Ca 0.15 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.52 3ia2 h GLN 181 Cb 0.42 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3ia2 h GLN 181 CO 0.01 0.22 0.13 0.82 -1.93 0.00 0.00 178.83 178.08 3ia2 h ILE 182 N 0.34 1.20 -0.58 2.39 2.04 -1.19 -2.99 117.51 118.72 3ia2 h ILE 182 Ca 0.13 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3ia2 h ILE 182 Cb 0.04 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3ia2 h ILE 182 CO -0.09 0.23 0.39 0.00 0.00 0.00 0.00 178.15 178.68 3ia2 h ALA 183 N 0.97 1.59 0.00 1.87 0.00 -1.07 -1.84 119.26 120.79 3ia2 h ALA 183 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ia2 h ALA 183 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ia2 h ALA 183 CO -0.01 0.37 0.00 -0.07 0.00 0.00 0.00 179.25 179.55 3ia2 h LEU 184 N 0.78 0.00 -1.52 0.00 3.38 -1.16 -2.36 115.31 114.43 3ia2 h LEU 184 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3ia2 h LEU 184 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ia2 h LEU 184 CO -0.05 0.00 -0.24 -0.07 0.09 0.00 0.00 178.44 178.18 3ia2 h LEU 185 N 0.00 0.01-10.31 1.67 3.38 -1.30 -3.46 115.31 105.30 3ia2 h LEU 185 Ca 0.00 -0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3ia2 h LEU 185 Cb 0.49 -0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.39 3ia2 h LEU 185 CO 0.00 0.24 0.27 0.00 0.09 0.00 0.00 178.44 179.04 3ia2 s ALA 186 N -4.51 1.76 0.19 1.53 0.00 -0.89 -4.59 121.76 115.25 3ia2 s ALA 186 Ca -0.04 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 3ia2 s ALA 186 Cb 0.15 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 3ia2 s ALA 186 CO 0.71 -2.22 1.04 0.45 0.00 0.00 0.00 175.76 175.74 3ia2 s SER 187 N -3.27 7.39 0.19 0.00 0.15 0.66 -4.97 113.70 113.85 3ia2 s SER 187 Ca 0.63 2.02 -0.12 0.00 0.70 0.00 0.00 55.95 59.18 3ia2 s SER 187 Cb -0.18 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.68 3ia2 s SER 187 CO 0.57 -0.10 1.81 0.25 1.20 0.00 0.00 173.24 176.97 3ia2 h LEU 188 N 4.85 0.49 -0.10 3.45 5.85 -1.95 -0.44 115.31 127.47 3ia2 h LEU 188 Ca -0.44 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3ia2 h LEU 188 Cb 1.21 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 3ia2 h LEU 188 CO 0.71 0.34 0.06 0.50 -0.34 0.00 0.00 178.44 179.71 3ia2 h LYS 189 N 0.62 0.14 -0.85 1.25 1.63 -1.96 -1.97 116.57 115.43 3ia2 h LYS 189 Ca 0.25 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3ia2 h LYS 189 Cb 0.10 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 3ia2 h LYS 189 CO -0.14 0.15 0.48 0.00 -3.45 0.00 0.00 179.45 176.49 3ia2 h ALA 190 N 0.99 1.09 -0.55 5.00 0.00 -1.83 0.60 119.26 124.55 3ia2 h ALA 190 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3ia2 h ALA 190 Cb 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3ia2 h ALA 190 CO -0.01 0.59 0.36 1.15 0.00 0.00 0.00 179.25 181.34 3ia2 h THR 191 N 1.18 1.15 -0.07 0.00 2.02 -0.83 -0.74 112.91 115.62 3ia2 h THR 191 Ca 0.30 -0.29 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 3ia2 h THR 191 Cb 0.01 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3ia2 h THR 191 CO -0.05 0.15 -0.66 0.58 0.37 0.00 0.00 175.52 175.91 3ia2 h VAL 192 N 0.75 1.35 -0.67 3.16 2.07 -1.11 -3.21 116.25 118.59 3ia2 h VAL 192 Ca 0.20 -1.98 0.05 0.00 0.82 0.00 0.00 66.70 65.79 3ia2 h VAL 192 Cb -0.07 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3ia2 h VAL 192 CO -0.04 0.60 0.44 0.44 0.02 0.00 0.00 177.57 179.03 3ia2 h ASP 193 N 0.18 0.65 0.06 0.57 3.32 -0.76 -1.80 116.42 118.64 3ia2 h ASP 193 Ca -0.06 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3ia2 h ASP 193 Cb 1.32 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3ia2 h ASP 193 CO 0.13 0.43 -0.17 0.00 -1.72 0.00 0.00 179.24 177.92 3ia2 h VAL 195 N 0.20 1.10 -0.40 0.00 2.07 -1.33 0.32 116.25 118.21 3ia2 h VAL 195 Ca 0.04 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3ia2 h VAL 195 Cb 0.42 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3ia2 h VAL 195 CO 0.03 0.09 0.17 0.74 0.02 0.00 0.00 177.57 178.62 3ia2 h THR 196 N 0.35 0.93 0.47 2.57 2.02 -1.36 -0.42 112.91 117.47 3ia2 h THR 196 Ca 0.10 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3ia2 h THR 196 Cb 0.01 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3ia2 h THR 196 CO -0.02 0.06 -0.24 0.00 0.37 0.00 0.00 175.52 175.69 3ia2 h ALA 197 N 1.24 -0.66 0.00 6.16 0.00 -0.89 -2.54 119.26 122.56 3ia2 h ALA 197 Ca 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ia2 h ALA 197 Cb 0.13 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ia2 h ALA 197 CO -0.15 -0.87 -0.11 0.27 0.00 0.00 0.00 179.25 178.38 3ia2 h PHE 198 N -0.66 0.00 -0.08 0.00 -5.15 -0.88 -2.27 116.94 107.90 3ia2 h PHE 198 Ca -0.06 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.53 3ia2 h PHE 198 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.68 3ia2 h PHE 198 CO -0.06 0.11 -0.73 0.00 -2.00 0.00 0.00 178.31 175.64 3ia2 h ALA 199 N 1.89 0.60 0.00 12.09 0.00 -1.02 -3.39 119.26 129.43 3ia2 h ALA 199 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3ia2 h ALA 199 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ia2 h ALA 199 CO 0.01 0.76 0.00 0.39 0.00 0.00 0.00 179.25 180.42 3ia2 n GLU 200 N -3.84 1.00 -2.92 0.00 1.02 -0.96 -2.18 120.64 112.75 3ia2 n GLU 200 Ca -0.04 -0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 56.34 3ia2 n GLU 200 Cb 0.70 -0.84 -0.04 0.00 -0.02 0.00 0.00 31.44 31.24 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 -0.24 4.96 -0.37 2.62 2.01 -0.86 -5.03 115.64 118.73 3ia2 s THR 201 Ca 0.00 1.64 -0.15 0.00 0.31 0.00 0.00 61.69 63.48 3ia2 s THR 201 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.38 3ia2 s THR 201 CO 0.00 0.16 0.35 -0.62 -0.69 0.00 0.00 174.62 173.82 3ia2 s ASP 202 N 0.96 6.15 -0.01 3.53 -1.08 -1.26 -4.54 116.67 120.41 3ia2 s ASP 202 Ca 0.41 -0.48 0.20 0.00 -0.52 0.00 0.00 52.55 52.16 3ia2 s ASP 202 Cb -0.18 -2.19 0.59 0.00 -1.46 0.00 0.00 42.92 39.69 3ia2 s ASP 202 CO 0.18 -0.40 1.50 0.49 0.52 0.00 0.00 175.17 177.46 3ia2 n PHE 203 N 5.35 0.95 -0.27 -5.34 3.72 0.11 -4.47 117.46 117.50 3ia2 n PHE 203 Ca -0.10 -0.46 -0.06 0.00 -0.05 0.00 0.00 57.45 56.79 3ia2 n PHE 203 Cb 0.49 -0.03 0.06 0.00 -0.94 0.00 0.00 39.48 39.05 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 3.85 1.12 -0.96 -1.08 3.08 -1.91 -0.95 114.38 117.54 3ia2 h ARG 204 Ca 0.00 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 59.91 3ia2 h ARG 204 Cb 0.95 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 3ia2 h ARG 204 CO 0.03 0.91 0.62 -1.35 -1.07 0.00 0.00 179.97 179.11 3ia2 h PRO 205 N 1.08 1.08 -0.91 0.04 0.11 -1.93 -2.59 132.00 128.89 3ia2 h PRO 205 Ca 0.25 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.31 3ia2 h PRO 205 Cb 0.20 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.02 3ia2 h PRO 205 CO -0.02 0.71 0.60 -0.44 -0.21 0.00 0.00 178.00 178.65 3ia2 h ASP 206 N 1.11 1.04 -0.78 -2.05 5.19 -1.50 -2.70 116.42 116.73 3ia2 h ASP 206 Ca 0.41 -0.03 0.06 0.00 -0.62 0.00 0.00 57.03 56.86 3ia2 h ASP 206 Cb 0.17 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 3ia2 h ASP 206 CO -0.16 0.75 0.51 0.24 -3.12 0.00 0.00 179.24 177.47 3ia2 h MET 207 N 1.23 0.83 0.00 3.56 2.86 -0.92 -1.17 114.93 121.31 3ia2 h MET 207 Ca 0.34 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3ia2 h MET 207 Cb -0.14 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.34 3ia2 h MET 207 CO -0.08 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.44 3ia2 h ALA 208 N 1.57 1.00 -0.02 6.32 0.00 -1.49 -2.87 119.26 123.78 3ia2 h ALA 208 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3ia2 h ALA 208 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ia2 h ALA 208 CO -0.12 0.00 -0.21 1.63 0.00 0.00 0.00 179.25 180.55 3ia2 n LYS 209 N -2.63 1.77 -2.66 0.00 5.02 -0.45 -4.85 118.16 114.36 3ia2 n LYS 209 Ca 0.02 -1.44 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 3ia2 n LYS 209 Cb 0.29 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 3ia2 n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ia2 s ILE 210 N -2.22 4.09 -0.30 -0.18 1.01 -1.08 -4.86 121.20 117.66 3ia2 s ILE 210 Ca 0.24 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.59 3ia2 s ILE 210 Cb 0.19 -4.70 0.46 0.00 0.01 0.00 0.00 42.46 38.42 3ia2 s ILE 210 CO 0.43 -1.35 1.34 -0.90 0.00 0.00 0.00 174.94 174.45 3ia2 n ASP 211 N 8.26 3.60 -4.35 3.58 5.75 -1.26 -4.55 116.55 127.57 3ia2 n ASP 211 Ca 0.05 -3.81 -0.19 0.00 -0.01 0.00 0.00 54.79 50.83 3ia2 n ASP 211 Cb 0.48 -0.52 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 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 -3.89 1.78 0.20 2.12 -7.23 -1.26 -5.10 120.40 107.02 3ia2 s VAL 212 Ca 0.47 -2.21 -0.32 0.00 -1.81 0.00 0.00 61.98 58.11 3ia2 s VAL 212 Cb 0.41 -2.05 -0.14 0.00 0.56 0.00 0.00 36.38 35.16 3ia2 s VAL 212 CO -0.01 -0.57 1.34 -2.65 -0.31 0.00 0.00 175.10 172.90 3ia2 n PRO 213 N -0.36 1.70 -4.24 4.82 -0.02 -1.26 -4.77 135.00 130.86 3ia2 n PRO 213 Ca -0.08 0.61 -0.18 0.00 -2.02 0.00 0.00 63.50 61.83 3ia2 n PRO 213 Cb 0.60 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.71 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 0.04 0.56 -0.14 3.45 2.01 -1.26 -1.21 115.64 119.09 3ia2 s THR 214 Ca 0.72 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.48 3ia2 s THR 214 Cb -0.74 -0.50 0.01 0.00 0.01 0.00 0.00 72.50 71.28 3ia2 s THR 214 CO 0.49 0.18 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.18 3ia2 s LEU 215 N 0.14 2.00 -0.21 4.42 2.96 0.13 -0.68 118.68 127.43 3ia2 s LEU 215 Ca -0.01 -0.57 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3ia2 s LEU 215 Cb -0.06 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 3ia2 s LEU 215 CO -0.00 0.04 0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 3ia2 s VAL 216 N 1.02 4.16 -0.04 1.68 1.01 0.79 -0.86 120.40 128.16 3ia2 s VAL 216 Ca -0.03 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3ia2 s VAL 216 Cb -0.15 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3ia2 s VAL 216 CO -0.05 0.40 -0.23 -0.63 0.00 0.00 0.00 175.10 174.59 3ia2 s ILE 217 N 1.13 1.86 -0.07 2.22 1.01 -0.21 -0.29 121.20 126.84 3ia2 s ILE 217 Ca 0.03 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 3ia2 s ILE 217 Cb -0.14 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3ia2 s ILE 217 CO 0.02 0.52 0.44 -2.28 0.00 0.00 0.00 174.94 173.64 3ia2 s HIS 218 N -0.24 -0.39 -0.04 3.97 2.46 -0.91 -0.73 115.29 119.41 3ia2 s HIS 218 Ca 0.00 0.77 -0.18 0.00 0.47 0.00 0.00 55.06 56.12 3ia2 s HIS 218 Cb -0.12 0.19 -0.05 0.00 -0.13 0.00 0.00 32.58 32.47 3ia2 s HIS 218 CO 0.02 -0.39 0.48 0.20 -2.47 0.00 0.00 174.74 172.59 3ia2 s GLY 219 N -0.78 2.49 -0.03 1.59 0.00 -1.26 -1.29 107.32 108.04 3ia2 s GLY 219 Ca -0.09 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.57 3ia2 s GLY 219 CO 0.04 0.55 1.13 2.09 0.00 0.00 0.00 173.10 176.90 3ia2 n ASP 220 N 2.74 1.96 -0.72 1.64 5.68 -1.11 -2.63 116.55 124.11 3ia2 n ASP 220 Ca -0.09 -2.12 0.06 0.00 -0.50 0.00 0.00 54.79 52.14 3ia2 n ASP 220 Cb 0.52 -0.32 0.17 0.00 -1.14 0.00 0.00 41.12 40.34 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 0.70 2.61 3.62 6.12 0.00 -0.51 -4.69 105.19 113.03 3ia2 n GLY 221 Ca 0.10 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.00 5.89 0.04 1.61 -1.08 -1.01 -4.55 116.67 116.57 3ia2 s ASP 222 Ca 0.26 2.02 0.26 0.00 -0.52 0.00 0.00 52.55 54.56 3ia2 s ASP 222 Cb 0.14 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.68 3ia2 s ASP 222 CO 0.18 -1.60 1.49 0.00 0.52 0.00 0.00 175.17 175.77 3ia2 n GLN 223 N 8.25 0.09 -0.11 4.34 6.02 -1.26 -4.40 117.38 130.30 3ia2 n GLN 223 Ca 0.25 0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 57.05 3ia2 n GLN 223 Cb 0.44 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.69 1.34 -3.96 5.09 2.08 -1.26 -4.86 119.36 116.10 3ia2 n ILE 224 Ca 0.05 -0.23 -0.33 0.00 0.56 0.00 0.00 62.75 62.80 3ia2 n ILE 224 Cb 0.37 -1.91 -0.14 0.00 -0.75 0.00 0.00 39.64 37.21 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 -2.50 2.57 0.03 1.39 1.01 -1.26 -5.08 120.40 116.56 3ia2 s VAL 225 Ca -0.32 -2.08 -0.31 0.00 0.00 0.00 0.00 61.98 59.28 3ia2 s VAL 225 Cb 0.11 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 3ia2 s VAL 225 CO 0.41 -0.49 1.95 -2.65 0.00 0.00 0.00 175.10 174.32 3ia2 n PRO 226 N 4.39 2.79 -0.17 2.72 -0.02 -1.26 -4.79 135.00 138.66 3ia2 n PRO 226 Ca -0.02 1.02 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 3ia2 n PRO 226 Cb 0.42 -2.96 0.07 0.00 -0.02 0.00 0.00 33.50 31.01 3ia2 n PRO 226 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ia2 h PHE 227 N 10.23 0.27 -0.43 6.00 3.04 -1.81 -2.62 116.94 131.61 3ia2 h PHE 227 Ca -0.49 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.53 3ia2 h PHE 227 Cb 1.24 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.69 3ia2 h PHE 227 CO 0.93 0.06 0.29 0.93 -2.02 0.00 0.00 178.31 178.50 3ia2 h GLU 228 N 0.32 0.39 -0.11 1.11 4.39 -1.95 -1.87 114.58 116.86 3ia2 h GLU 228 Ca 0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3ia2 h GLU 228 Cb 0.31 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3ia2 h GLU 228 CO -0.29 0.26 0.00 0.25 -1.16 0.00 0.00 179.01 178.07 3ia2 n THR 229 N -4.48 0.20 0.00 1.13 -2.24 -1.12 -4.41 114.28 103.36 3ia2 n THR 229 Ca 0.05 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3ia2 n THR 229 Cb 0.20 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 0.87 0.00 -0.29 4.28 -2.24 -0.98 -4.63 114.28 111.29 3ia2 n THR 230 Ca 0.10 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 3ia2 n THR 230 Cb 0.40 0.00 0.27 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.36 1.03 3.38 0.00 -1.60 0.79 103.07 108.04 3ia2 h GLY 231 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3ia2 h GLY 231 CO 0.00 -0.26 0.61 1.70 0.00 0.00 0.00 176.54 178.59 3ia2 h LYS 232 N 0.34 1.30 0.16 4.80 3.64 -1.61 -2.33 116.57 122.88 3ia2 h LYS 232 Ca 0.52 -0.10 -0.31 0.00 -1.27 0.00 0.00 60.65 59.49 3ia2 h LYS 232 Cb 0.96 -0.28 0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3ia2 h LYS 232 CO -0.54 0.89 -1.31 0.28 -2.27 0.00 0.00 179.45 176.49 3ia2 h VAL 233 N 1.32 1.30 -0.94 2.00 2.07 -1.23 -3.26 116.25 117.51 3ia2 h VAL 233 Ca 0.35 -2.58 0.05 0.00 0.82 0.00 0.00 66.70 65.34 3ia2 h VAL 233 Cb -0.10 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 3ia2 h VAL 233 CO -0.07 0.78 0.61 0.00 0.02 0.00 0.00 177.57 178.91 3ia2 h ALA 234 N 0.28 1.27 0.00 1.67 0.00 -0.79 -1.15 119.26 120.55 3ia2 h ALA 234 Ca -0.20 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ia2 h ALA 234 Cb 1.99 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 3ia2 h ALA 234 CO 0.25 0.44 -0.15 0.00 0.00 0.00 0.00 179.25 179.79 3ia2 h ALA 235 N 1.41 1.48 0.16 0.00 0.00 -1.48 -2.04 119.26 118.79 3ia2 h ALA 235 Ca 0.39 -0.13 -0.33 0.00 0.00 0.00 0.00 54.91 54.84 3ia2 h ALA 235 Cb 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ia2 h ALA 235 CO -0.14 0.18 -1.62 0.93 0.00 0.00 0.00 179.25 178.60 3ia2 h GLU 236 N 0.00 0.35 0.00 0.00 4.39 -1.32 -3.37 114.58 114.63 3ia2 h GLU 236 Ca -0.00 -0.59 -0.08 0.00 0.34 0.00 0.00 59.36 59.02 3ia2 h GLU 236 Cb 0.31 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3ia2 h GLU 236 CO 0.02 1.24 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.65 3ia2 h LEU 237 N 0.09 0.00 -8.81 1.33 3.38 -1.02 -3.42 115.31 106.86 3ia2 h LEU 237 Ca -0.29 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.06 3ia2 h LEU 237 Cb 2.07 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.69 3ia2 h LEU 237 CO 0.18 0.39 0.12 -0.63 0.09 0.00 0.00 178.44 178.60 3ia2 s ILE 238 N -3.27 4.92 0.14 1.22 1.01 -0.79 -4.57 121.20 119.86 3ia2 s ILE 238 Ca 0.02 0.65 -0.33 0.00 0.00 0.00 0.00 60.65 61.00 3ia2 s ILE 238 Cb 0.09 -4.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 3ia2 s ILE 238 CO 0.70 -0.25 1.73 1.17 0.00 0.00 0.00 174.94 178.29 3ia2 n LYS 239 N 5.96 2.53 -0.96 2.79 4.81 -1.26 -1.94 118.16 130.09 3ia2 n LYS 239 Ca -0.02 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 3ia2 n LYS 239 Cb 0.49 -2.75 0.00 0.00 0.02 0.00 0.00 35.03 32.78 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 3.91 0.84 3.76 3.14 0.00 -1.26 -4.87 105.19 110.71 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 -3.45 3.05 0.00 4.61 0.00 -0.82 -4.65 121.76 120.51 3ia2 s ALA 241 Ca 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 3ia2 s ALA 241 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3ia2 s ALA 241 CO 0.00 -1.14 0.15 -2.00 0.00 0.00 0.00 175.76 172.77 3ia2 s GLU 242 N -2.61 3.30 -0.08 0.00 2.12 0.14 -4.96 118.70 116.61 3ia2 s GLU 242 Ca 0.65 -0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3ia2 s GLU 242 Cb -0.40 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 30.99 3ia2 s GLU 242 CO 0.49 0.66 -0.17 -1.17 -0.54 0.00 0.00 175.26 174.53 3ia2 s LEU 243 N -1.94 1.82 -0.11 2.70 2.96 -1.26 -0.15 118.68 122.71 3ia2 s LEU 243 Ca 0.27 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3ia2 s LEU 243 Cb -0.12 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3ia2 s LEU 243 CO 0.18 0.08 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.56 3ia2 s LYS 244 N 0.56 2.62 -0.21 1.98 1.02 0.60 -4.97 119.74 121.33 3ia2 s LYS 244 Ca -0.16 -0.72 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 3ia2 s LYS 244 Cb -0.17 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3ia2 s LYS 244 CO 0.05 0.04 -0.03 0.08 -0.92 0.00 0.00 175.35 174.58 3ia2 s VAL 245 N 0.68 3.61 -0.35 3.17 1.01 -1.26 -2.13 120.40 125.13 3ia2 s VAL 245 Ca -0.12 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 3ia2 s VAL 245 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.59 3ia2 s VAL 245 CO 0.03 0.43 0.80 -0.31 0.00 0.00 0.00 175.10 176.05 3ia2 s TYR 246 N 1.23 3.12 0.06 5.22 1.51 -0.41 -4.97 117.35 123.11 3ia2 s TYR 246 Ca 0.03 0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 56.42 3ia2 s TYR 246 Cb -0.14 -3.40 -0.09 0.00 -0.11 0.00 0.00 41.96 38.22 3ia2 s TYR 246 CO -0.00 -0.71 1.85 0.21 -1.11 0.00 0.00 175.55 175.78 3ia2 s LYS 247 N 3.12 4.15 0.00 -0.62 2.20 -1.26 -2.14 119.74 125.19 3ia2 s LYS 247 Ca 0.32 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 3ia2 s LYS 247 Cb -0.13 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 3ia2 s LYS 247 CO 0.16 -0.88 0.00 -0.25 -0.36 0.00 0.00 175.35 174.02 3ia2 n ASP 248 N 6.66 -1.65 -4.76 1.43 8.00 -1.26 -4.91 116.55 120.06 3ia2 n ASP 248 Ca 0.18 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.30 3ia2 n ASP 248 Cb 0.40 -1.91 0.02 0.00 -0.02 0.00 0.00 41.12 39.61 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 -1.81 2.97 0.89 2.24 0.00 -0.91 -4.25 121.76 120.90 3ia2 s ALA 249 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 3ia2 s ALA 249 Cb 0.00 -3.52 0.09 0.00 0.00 0.00 0.00 23.12 19.69 3ia2 s ALA 249 CO 0.00 -1.13 0.53 -0.35 0.00 0.00 0.00 175.76 174.81 3ia2 n PRO 250 N -0.64 -0.34 -0.12 0.00 -0.04 -1.26 -1.43 135.00 131.16 3ia2 n PRO 250 Ca 0.08 -0.93 -0.11 0.00 -0.04 0.00 0.00 63.50 62.50 3ia2 n PRO 250 Cb 0.45 -0.51 -0.03 0.00 -0.04 0.00 0.00 33.50 33.38 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 -1.12 0.72 -0.44 0.54 -0.00 -1.78 -3.29 115.15 109.77 3ia2 h HIS 251 Ca -0.17 -0.14 -0.38 0.00 -0.00 0.00 0.00 60.37 59.68 3ia2 h HIS 251 Cb 0.50 -0.18 -0.10 0.00 -0.00 0.00 0.00 27.41 27.63 3ia2 h HIS 251 CO 0.00 0.79 0.45 0.41 -0.00 0.00 0.00 177.93 179.58 3ia2 n GLY 252 N -0.24 3.72 0.00 5.26 0.00 -0.17 -4.62 105.19 109.15 3ia2 n GLY 252 Ca -0.02 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 1.99 0.00 0.29 1.61 1.16 -1.24 -2.12 117.46 119.15 3ia2 n PHE 253 Ca 0.50 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 56.24 3ia2 n PHE 253 Cb 0.69 -0.49 0.83 0.00 -1.61 0.00 0.00 39.48 38.89 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 2.87 1.09 0.00 1.98 0.00 -1.87 0.27 119.26 123.59 3ia2 h ALA 254 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3ia2 h ALA 254 Cb 0.42 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ia2 h ALA 254 CO 0.00 0.07 -0.89 0.28 0.00 0.00 0.00 179.25 178.71 3ia2 n VAL 255 N -3.28 1.47 0.18 0.00 0.31 -0.90 -3.69 118.33 112.42 3ia2 n VAL 255 Ca -0.01 0.10 0.05 0.00 -0.01 0.00 0.00 64.34 64.46 3ia2 n VAL 255 Cb 0.23 -2.22 0.31 0.00 -0.91 0.00 0.00 33.84 31.25 3ia2 n VAL 255 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3ia2 h THR 256 N -1.00 0.95 -0.73 2.52 1.35 -1.50 -3.22 112.91 111.27 3ia2 h THR 256 Ca -0.17 -1.61 -0.48 0.00 -0.55 0.00 0.00 66.41 63.60 3ia2 h THR 256 Cb 0.90 1.97 -0.42 0.00 -1.73 0.00 0.00 68.15 68.86 3ia2 h THR 256 CO -0.10 0.40 -0.89 1.41 -0.25 0.00 0.00 175.52 176.08 3ia2 n HIS 257 N -3.56 2.41 -0.04 4.73 -0.00 0.93 -4.92 115.22 114.78 3ia2 n HIS 257 Ca -0.00 -2.28 -0.09 0.00 -0.00 0.00 0.00 57.72 55.35 3ia2 n HIS 257 Cb 0.53 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.19 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 2.33 0.19 -0.46 -1.41 0.00 -1.59 -1.15 119.26 117.16 3ia2 h ALA 258 Ca 0.23 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3ia2 h ALA 258 Cb 1.42 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3ia2 h ALA 258 CO 0.62 -0.40 0.11 0.37 0.00 0.00 0.00 179.25 179.95 3ia2 h GLN 259 N 0.10 0.74 -0.57 0.00 4.15 -1.90 0.17 115.11 117.80 3ia2 h GLN 259 Ca 0.09 -0.18 0.02 0.00 0.77 0.00 0.00 58.65 59.34 3ia2 h GLN 259 Cb 0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3ia2 h GLN 259 CO -0.12 0.74 0.36 0.37 -1.93 0.00 0.00 178.83 178.25 3ia2 h GLN 260 N 0.62 0.71 -0.21 1.69 4.15 -1.92 -1.66 115.11 118.48 3ia2 h GLN 260 Ca 0.14 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3ia2 h GLN 260 Cb 0.33 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3ia2 h GLN 260 CO 0.00 0.47 0.09 1.25 -1.93 0.00 0.00 178.83 178.71 3ia2 h LEU 261 N 0.73 0.29 -0.57 -2.39 5.85 -0.91 -1.23 115.31 117.08 3ia2 h LEU 261 Ca 0.22 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3ia2 h LEU 261 Cb -0.03 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.84 3ia2 h LEU 261 CO -0.07 0.37 0.08 0.78 -0.34 0.00 0.00 178.44 179.26 3ia2 h ASN 262 N 0.20 -0.07 -0.26 1.25 2.35 -0.68 0.30 115.58 118.66 3ia2 h ASN 262 Ca 0.07 0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 3ia2 h ASN 262 Cb 0.16 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3ia2 h ASN 262 CO -0.01 -0.02 -0.39 -0.33 -1.65 0.00 0.00 177.43 175.04 3ia2 h GLU 263 N 0.21 0.81 -0.57 0.81 5.08 -1.15 -1.96 114.58 117.82 3ia2 h GLU 263 Ca 0.29 -0.42 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 3ia2 h GLU 263 Cb 0.44 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3ia2 h GLU 263 CO -0.41 1.05 -0.01 -0.44 -1.00 0.00 0.00 179.01 178.21 3ia2 h ASP 264 N 0.66 0.96 -0.40 1.42 3.32 -0.67 -0.99 116.42 120.72 3ia2 h ASP 264 Ca 0.06 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3ia2 h ASP 264 Cb 0.95 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3ia2 h ASP 264 CO 0.09 1.02 0.15 -0.07 -1.72 0.00 0.00 179.24 178.70 3ia2 h LEU 265 N 0.90 0.56 -0.56 1.55 3.38 -0.82 -1.43 115.31 118.90 3ia2 h LEU 265 Ca 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ia2 h LEU 265 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3ia2 h LEU 265 CO 0.03 0.59 0.20 0.25 0.09 0.00 0.00 178.44 179.59 3ia2 h LEU 266 N 0.50 0.79 -1.09 1.67 5.85 -1.18 -1.67 115.31 120.19 3ia2 h LEU 266 Ca 0.13 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ia2 h LEU 266 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ia2 h LEU 266 CO -0.01 0.77 0.19 0.00 -0.34 0.00 0.00 178.44 179.05 3ia2 h ALA 267 N 1.05 1.27 -0.38 1.25 0.00 -1.08 -1.39 119.26 119.99 3ia2 h ALA 267 Ca 0.18 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ia2 h ALA 267 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ia2 h ALA 267 CO -0.01 0.52 0.04 0.35 0.00 0.00 0.00 179.25 180.16 3ia2 h PHE 268 N 0.82 0.68 0.00 0.00 3.57 -0.90 -2.50 116.94 118.62 3ia2 h PHE 268 Ca 0.19 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3ia2 h PHE 268 Cb 0.22 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3ia2 h PHE 268 CO 0.01 0.70 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.47 3ia2 h LEU 269 N 0.47 0.00 -3.87 0.59 3.38 -0.96 -2.83 115.31 112.10 3ia2 h LEU 269 Ca 0.11 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.50 3ia2 h LEU 269 Cb 0.39 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.83 3ia2 h LEU 269 CO 0.01 0.25 0.31 0.29 0.09 0.00 0.00 178.44 179.39 3ia2 n LYS 270 N -4.20 2.81 0.00 1.13 5.02 -0.56 -5.11 118.16 117.25 3ia2 n LYS 270 Ca -0.02 -3.49 0.14 0.00 -2.02 0.00 0.00 58.31 52.92 3ia2 n LYS 270 Cb 0.31 -2.23 0.62 0.00 -0.02 0.00 0.00 35.03 33.71 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77