#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 0.12 0.14 0.44 -4.23 -1.26 -0.86 115.64 109.98 3ia2 s THR 2 Ca 0.00 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 3ia2 s THR 2 Cb 0.00 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.15 3ia2 s THR 2 CO 0.00 -0.53 -0.03 0.72 -0.54 0.00 0.00 174.62 174.24 3ia2 s PHE 3 N -2.06 1.05 -0.22 3.99 -0.12 -0.90 -4.96 117.98 114.76 3ia2 s PHE 3 Ca -0.10 -0.98 -0.05 0.00 -0.05 0.00 0.00 56.93 55.75 3ia2 s PHE 3 Cb -0.05 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.72 3ia2 s PHE 3 CO -0.02 -0.20 0.01 0.08 -0.05 0.00 0.00 175.22 175.05 3ia2 s VAL 4 N -3.66 3.96 0.94 -2.49 1.01 -1.26 -0.77 120.40 118.13 3ia2 s VAL 4 Ca 0.18 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 3ia2 s VAL 4 Cb 0.06 -2.81 0.16 0.00 0.00 0.00 0.00 36.38 33.78 3ia2 s VAL 4 CO -0.00 0.40 1.14 0.00 0.00 0.00 0.00 175.10 176.64 3ia2 s ALA 5 N 1.26 1.65 0.27 5.51 0.00 0.39 -4.88 121.76 125.96 3ia2 s ALA 5 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3ia2 s ALA 5 Cb -0.15 -3.01 0.58 0.00 0.00 0.00 0.00 23.12 20.54 3ia2 s ALA 5 CO 0.01 -2.43 1.69 -0.22 0.00 0.00 0.00 175.76 174.82 3ia2 h LYS 6 N -1.61 0.34 -0.12 0.00 3.64 -1.95 -0.85 116.57 116.01 3ia2 h LYS 6 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3ia2 h LYS 6 Cb 1.32 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3ia2 h LYS 6 CO 0.58 0.22 0.00 -0.40 -2.27 0.00 0.00 179.45 177.59 3ia2 n ASP 7 N -5.09 1.10 0.00 4.20 5.75 -1.26 -4.87 116.55 116.37 3ia2 n ASP 7 Ca 0.18 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3ia2 n ASP 7 Cb 0.54 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.99 0.28 3.68 6.12 0.00 -0.32 -5.05 105.19 110.89 3ia2 n GLY 8 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.40 -0.11 2.61 2.01 -1.26 -4.68 115.64 115.62 3ia2 s THR 9 Ca 0.00 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.48 3ia2 s THR 9 Cb 0.00 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 3ia2 s THR 9 CO 0.00 -0.02 0.86 -1.58 -0.69 0.00 0.00 174.62 173.19 3ia2 s GLN 10 N 2.93 4.39 -0.16 4.92 0.74 -1.26 -0.46 119.66 130.76 3ia2 s GLN 10 Ca 0.70 1.12 0.00 0.00 0.05 0.00 0.00 55.36 57.24 3ia2 s GLN 10 Cb -0.35 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.24 3ia2 s GLN 10 CO 0.30 -0.19 -0.16 0.42 -0.55 0.00 0.00 175.29 175.10 3ia2 s ILE 11 N 1.63 2.51 0.26 -2.34 1.01 0.05 -1.24 121.20 123.08 3ia2 s ILE 11 Ca 0.42 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3ia2 s ILE 11 Cb -0.18 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 3ia2 s ILE 11 CO 0.17 0.52 0.92 -0.47 0.00 0.00 0.00 174.94 176.08 3ia2 s TYR 12 N 0.99 3.90 0.11 3.97 5.04 -1.26 -2.11 117.35 127.98 3ia2 s TYR 12 Ca -0.02 1.85 -0.13 0.00 -2.44 0.00 0.00 57.07 56.33 3ia2 s TYR 12 Cb -0.15 -2.94 0.02 0.00 0.35 0.00 0.00 41.96 39.24 3ia2 s TYR 12 CO -0.03 0.40 0.30 -0.59 -1.34 0.00 0.00 175.55 174.28 3ia2 s PHE 13 N -1.30 -0.04 -0.04 4.97 -0.71 -0.04 -0.74 117.98 120.08 3ia2 s PHE 13 Ca 0.43 -0.33 0.04 0.00 -1.04 0.00 0.00 56.93 56.02 3ia2 s PHE 13 Cb -0.24 0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 3ia2 s PHE 13 CO 0.29 -0.63 -0.14 0.15 -1.34 0.00 0.00 175.22 173.56 3ia2 s LYS 14 N -3.83 2.49 -0.29 1.99 1.02 0.78 -1.18 119.74 120.71 3ia2 s LYS 14 Ca 0.04 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.32 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 -0.12 0.62 0.08 0.34 -0.92 0.00 0.00 175.35 175.35 3ia2 s ASP 15 N -0.83 3.94 -0.04 2.83 -1.08 -1.26 -1.45 116.67 118.79 3ia2 s ASP 15 Ca 0.12 -1.54 0.04 0.00 -0.52 0.00 0.00 52.55 50.64 3ia2 s ASP 15 Cb -0.11 -0.91 -0.03 0.00 -1.46 0.00 0.00 42.92 40.42 3ia2 s ASP 15 CO 0.01 -0.39 -0.13 0.26 0.52 0.00 0.00 175.17 175.45 3ia2 s TRP 16 N 1.58 2.74 0.00 -5.34 0.51 0.96 -4.98 118.94 114.41 3ia2 s TRP 16 Ca 0.07 -0.13 0.00 0.00 -2.12 0.00 0.00 56.10 53.93 3ia2 s TRP 16 Cb -0.17 -1.62 0.00 0.00 -0.81 0.00 0.00 33.47 30.87 3ia2 s TRP 16 CO -0.21 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 176.88 3ia2 n GLY 17 N 2.12 -1.54 3.21 0.98 0.00 -1.26 -0.30 105.19 108.41 3ia2 n GLY 17 Ca -0.17 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.18 0.00 1.61 1.04 -1.24 -4.72 113.70 106.57 3ia2 s SER 18 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 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 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3ia2 n GLY 19 N -0.07 -0.10 3.73 7.32 0.00 -1.26 -2.77 105.19 112.04 3ia2 n GLY 19 Ca -0.12 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 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 4.13 0.23 1.61 -0.14 -1.26 -4.16 119.74 120.15 3ia2 s LYS 20 Ca 0.00 2.58 -0.25 0.00 -1.36 0.00 0.00 55.97 56.93 3ia2 s LYS 20 Cb 0.00 -3.05 -0.09 0.00 -1.68 0.00 0.00 37.83 33.01 3ia2 s LYS 20 CO 0.00 -0.69 0.84 -1.25 -0.76 0.00 0.00 175.35 173.50 3ia2 s PRO 21 N 0.35 4.57 -0.15 -1.68 0.04 -1.26 -1.84 135.00 135.04 3ia2 s PRO 21 Ca 0.69 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3ia2 s PRO 21 Cb -0.48 -3.09 0.03 0.00 0.04 0.00 0.00 34.50 31.00 3ia2 s PRO 21 CO 0.40 0.46 -0.11 0.08 0.04 0.00 0.00 177.00 177.87 3ia2 s VAL 22 N -1.34 1.38 -0.20 -0.36 1.01 0.10 -1.78 120.40 119.22 3ia2 s VAL 22 Ca 0.42 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3ia2 s VAL 22 Cb -0.21 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3ia2 s VAL 22 CO 0.26 0.36 0.00 -0.22 0.00 0.00 0.00 175.10 175.50 3ia2 s LEU 23 N 1.55 3.26 -0.12 3.92 0.20 -0.41 -0.66 118.68 126.42 3ia2 s LEU 23 Ca 0.04 -0.21 -0.05 0.00 0.69 0.00 0.00 54.13 54.61 3ia2 s LEU 23 Cb -0.13 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3ia2 s LEU 23 CO -0.09 0.06 0.04 -0.36 -0.29 0.00 0.00 176.35 175.71 3ia2 s PHE 24 N 1.03 3.27 -0.23 5.38 0.40 0.66 -0.83 117.98 127.65 3ia2 s PHE 24 Ca 0.02 0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.57 3ia2 s PHE 24 Cb -0.14 -1.91 0.05 0.00 0.51 0.00 0.00 43.02 41.52 3ia2 s PHE 24 CO 0.02 0.41 -0.13 0.45 0.70 0.00 0.00 175.22 176.67 3ia2 s SER 25 N -0.49 3.97 0.88 1.36 0.15 0.81 -3.83 113.70 116.54 3ia2 s SER 25 Ca 0.10 -1.14 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 3ia2 s SER 25 Cb -0.12 -1.47 0.12 0.00 -1.71 0.00 0.00 66.02 62.84 3ia2 s SER 25 CO 0.02 -0.14 1.14 -1.38 1.20 0.00 0.00 173.24 174.08 3ia2 s HIS 26 N 1.20 2.63 0.51 3.44 -3.43 -1.26 -1.66 115.29 116.71 3ia2 s HIS 26 Ca -0.04 0.86 -0.04 0.00 -0.80 0.00 0.00 55.06 55.03 3ia2 s HIS 26 Cb -0.18 -3.38 0.11 0.00 -1.43 0.00 0.00 32.58 27.70 3ia2 s HIS 26 CO -0.07 -2.19 0.69 0.41 -2.00 0.00 0.00 174.74 171.57 3ia2 n GLY 27 N -2.41 -0.19 3.77 -1.38 0.00 -1.21 -3.29 105.19 100.49 3ia2 n GLY 27 Ca 0.07 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.20 2.79 0.00 1.61 -0.00 -1.26 -3.24 118.94 116.64 3ia2 s TRP 28 Ca 0.43 1.23 0.00 0.00 -0.00 0.00 0.00 56.10 57.76 3ia2 s TRP 28 Cb -0.02 -3.89 0.00 0.00 -0.00 0.00 0.00 33.47 29.57 3ia2 s TRP 28 CO 0.29 -2.58 0.00 1.28 -0.00 0.00 0.00 176.95 175.94 3ia2 n LEU 29 N 0.78 0.00 0.00 5.86 4.77 -1.26 -4.96 117.00 122.19 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 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3ia2 n LEU 29 CO 0.62 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.86 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.20 -3.31 117.00 119.49 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 -0.24 0.00 0.30 -1.43 5.68 -1.26 -4.38 116.55 115.22 3ia2 n ASP 31 Ca 0.00 -0.50 0.19 0.00 -0.50 0.00 0.00 54.79 53.98 3ia2 n ASP 31 Cb 0.00 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 40.97 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 1.34 0.00 2.12 0.00 -1.91 -1.90 119.26 120.66 3ia2 h ALA 32 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ia2 h ALA 32 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ia2 h ALA 32 CO 0.00 -0.17 -0.08 -0.44 0.00 0.00 0.00 179.25 178.56 3ia2 h ASP 33 N 0.00 0.00 0.11 0.00 5.19 -1.95 -2.40 116.42 117.37 3ia2 h ASP 33 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3ia2 h ASP 33 Cb 0.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.82 3ia2 h ASP 33 CO -0.00 0.08 0.00 0.00 -3.12 0.00 0.00 179.24 176.20 3ia2 h MET 34 N 0.00 0.00 -0.14 3.56 -0.00 -1.75 -1.95 114.93 114.65 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 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.00 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 -3.04 0.15 -0.32 -0.10 7.02 -0.90 -4.66 117.44 115.60 3ia2 n TRP 35 Ca -0.03 -0.08 0.10 0.00 -1.02 0.00 0.00 57.50 56.48 3ia2 n TRP 35 Cb 0.09 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.25 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 4.33 0.62 -0.24 -0.99 4.11 -1.49 0.05 114.58 120.97 3ia2 h GLU 36 Ca 0.00 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 59.21 3ia2 h GLU 36 Cb 0.93 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ia2 h GLU 36 CO 0.00 0.41 -0.57 1.88 0.07 0.00 0.00 179.01 180.80 3ia2 h TYR 37 N 0.64 1.04 -0.66 2.06 0.05 -1.84 -1.66 116.97 116.59 3ia2 h TYR 37 Ca 0.52 -0.39 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3ia2 h TYR 37 Cb 0.79 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 3ia2 h TYR 37 CO -0.07 1.21 0.13 1.96 -1.05 0.00 0.00 178.16 180.34 3ia2 h GLN 38 N 0.57 1.07 -0.26 4.88 7.50 -1.63 -1.04 115.11 126.19 3ia2 h GLN 38 Ca -0.00 -0.27 -0.02 0.00 0.50 0.00 0.00 58.65 58.86 3ia2 h GLN 38 Cb 1.18 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 3ia2 h GLN 38 CO 0.12 0.97 0.08 0.52 -1.50 0.00 0.00 178.83 179.02 3ia2 h MET 39 N 1.01 0.41 -0.71 1.46 2.86 -0.95 -1.39 114.93 117.61 3ia2 h MET 39 Ca 0.21 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3ia2 h MET 39 Cb 0.40 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3ia2 h MET 39 CO 0.01 0.49 0.18 1.49 1.06 0.00 0.00 176.91 180.14 3ia2 h GLU 40 N 0.26 1.14 -0.09 1.72 4.22 -1.24 -0.12 114.58 120.47 3ia2 h GLU 40 Ca 0.08 -0.27 -0.00 0.00 0.08 0.00 0.00 59.36 59.25 3ia2 h GLU 40 Cb 0.26 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ia2 h GLU 40 CO -0.00 1.00 0.06 -0.92 -2.18 0.00 0.00 179.01 176.97 3ia2 h TYR 41 N 1.08 0.12 0.10 0.92 3.20 -1.03 -2.27 116.97 119.09 3ia2 h TYR 41 Ca 0.22 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.83 3ia2 h TYR 41 Cb 0.37 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 38.61 3ia2 h TYR 41 CO 0.03 0.11 -1.17 -0.07 -1.64 0.00 0.00 178.16 175.42 3ia2 h LEU 42 N 0.10 0.58 -1.00 2.82 3.38 -1.18 -3.22 115.31 116.78 3ia2 h LEU 42 Ca 0.03 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3ia2 h LEU 42 Cb 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ia2 h LEU 42 CO -0.01 1.39 -0.07 0.28 0.09 0.00 0.00 178.44 180.13 3ia2 h SER 43 N 0.17 0.00 0.78 -0.43 0.02 -1.04 -0.98 113.55 112.07 3ia2 h SER 43 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3ia2 h SER 43 Cb 1.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.40 3ia2 h SER 43 CO 0.20 0.07 -0.07 -1.20 -1.14 0.00 0.00 176.83 174.69 3ia2 n SER 44 N -3.16 0.10 -0.60 3.07 7.64 -0.86 -3.83 113.62 115.99 3ia2 n SER 44 Ca 0.01 0.16 0.06 0.00 1.01 0.00 0.00 58.87 60.11 3ia2 n SER 44 Cb 0.40 -0.32 0.20 0.00 -1.01 0.00 0.00 64.21 63.48 3ia2 n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ia2 n ARG 45 N -1.39 1.54 -0.36 1.43 1.74 -0.43 -4.96 116.66 114.23 3ia2 n ARG 45 Ca 0.09 -3.25 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 3ia2 n ARG 45 Cb 0.31 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.10 0.80 3.47 -0.13 0.00 -1.13 -5.01 105.19 102.09 3ia2 n GLY 46 Ca 0.19 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.21 1.61 2.02 -0.85 -4.31 117.35 116.01 3ia2 s TYR 47 Ca 0.00 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3ia2 s TYR 47 Cb 0.00 -1.18 -0.05 0.00 -0.40 0.00 0.00 41.96 40.33 3ia2 s TYR 47 CO 0.00 0.51 0.23 0.50 -1.57 0.00 0.00 175.55 175.22 3ia2 s ARG 48 N -2.74 4.14 -0.06 -0.62 3.52 -0.77 -3.66 118.95 118.77 3ia2 s ARG 48 Ca 0.22 -0.09 0.05 0.00 -0.13 0.00 0.00 55.73 55.78 3ia2 s ARG 48 Cb -0.08 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3ia2 s ARG 48 CO 0.12 0.10 -0.19 0.95 -0.81 0.00 0.00 175.30 175.46 3ia2 s THR 49 N 0.93 2.60 -0.04 4.11 -4.23 0.59 0.03 115.64 119.63 3ia2 s THR 49 Ca 0.12 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3ia2 s THR 49 Cb -0.13 -1.99 0.01 0.00 1.34 0.00 0.00 72.50 71.72 3ia2 s THR 49 CO 0.04 0.58 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.96 3ia2 s ILE 50 N -0.43 0.96 -0.06 2.99 1.09 0.17 -0.03 121.20 125.90 3ia2 s ILE 50 Ca 0.05 -0.43 -0.04 0.00 -1.10 0.00 0.00 60.65 59.13 3ia2 s ILE 50 Cb -0.12 -0.87 0.02 0.00 -1.06 0.00 0.00 42.46 40.44 3ia2 s ILE 50 CO 0.02 0.30 0.14 0.00 -0.10 0.00 0.00 174.94 175.30 3ia2 s ALA 51 N 0.36 -0.31 0.23 9.38 0.00 -0.53 -0.25 121.76 130.65 3ia2 s ALA 51 Ca -0.07 0.52 0.10 0.00 0.00 0.00 0.00 51.96 52.51 3ia2 s ALA 51 Cb -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3ia2 s ALA 51 CO 0.02 -0.11 -0.07 -0.59 0.00 0.00 0.00 175.76 175.01 3ia2 s PHE 52 N 0.56 2.60 -0.28 0.00 -0.71 -1.25 -0.16 117.98 118.75 3ia2 s PHE 52 Ca -0.04 -0.24 -0.19 0.00 -1.04 0.00 0.00 56.93 55.42 3ia2 s PHE 52 Cb -0.06 -1.20 -0.02 0.00 -1.21 0.00 0.00 43.02 40.54 3ia2 s PHE 52 CO -0.03 0.59 0.57 -0.51 -1.34 0.00 0.00 175.22 174.51 3ia2 s ASP 53 N -3.31 6.47 0.50 1.98 1.01 0.08 -3.79 116.67 119.61 3ia2 s ASP 53 Ca 0.28 0.48 -0.22 0.00 0.71 0.00 0.00 52.55 53.80 3ia2 s ASP 53 Cb -0.07 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.48 3ia2 s ASP 53 CO 0.17 -0.38 1.18 -1.14 0.21 0.00 0.00 175.17 175.21 3ia2 n ARG 54 N 5.69 1.51 -1.57 8.23 0.63 -1.26 -4.40 116.66 125.49 3ia2 n ARG 54 Ca -0.03 0.55 -0.51 0.00 -0.92 0.00 0.00 57.85 56.95 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 -0.51 1.06 -0.30 -0.14 1.85 -1.26 -0.82 116.66 116.54 3ia2 n ARG 55 Ca 0.10 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3ia2 n ARG 55 Cb 0.43 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 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 2.16 1.07 3.33 2.89 0.00 0.11 -4.96 105.19 109.78 3ia2 n GLY 56 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.80 1.69 0.00 1.61 0.40 -0.00 -0.24 117.98 118.63 3ia2 s PHE 57 Ca 0.00 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3ia2 s PHE 57 Cb 0.00 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 3ia2 s PHE 57 CO 0.00 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.65 3ia2 n GLY 58 N -0.05 3.40 0.92 4.36 0.00 -1.26 -1.92 105.19 110.64 3ia2 n GLY 58 Ca -0.11 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 2.20 -2.40 1.61 1.74 -1.26 -4.63 116.66 127.91 3ia2 n ARG 59 Ca 0.00 -1.81 -0.28 0.00 -0.77 0.00 0.00 57.85 55.00 3ia2 n ARG 59 Cb 0.00 -1.46 0.02 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 -1.49 5.93 1.01 0.55 0.01 -0.81 -4.60 113.70 114.31 3ia2 s SER 60 Ca 0.36 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.41 3ia2 s SER 60 Cb 0.20 -2.03 0.20 0.00 0.21 0.00 0.00 66.02 64.60 3ia2 s SER 60 CO 0.29 -0.86 1.09 -1.81 0.41 0.00 0.00 173.24 172.36 3ia2 s ASP 61 N -4.21 2.24 -0.66 2.44 1.01 -0.37 -4.54 116.67 112.58 3ia2 s ASP 61 Ca 0.52 1.83 0.05 0.00 0.71 0.00 0.00 52.55 55.66 3ia2 s ASP 61 Cb -0.11 -2.42 0.21 0.00 1.01 0.00 0.00 42.92 41.61 3ia2 s ASP 61 CO 0.46 -3.46 0.59 0.00 0.21 0.00 0.00 175.17 172.97 3ia2 n GLN 62 N -4.45 2.01 -2.20 8.23 6.02 -1.26 -0.71 117.38 125.01 3ia2 n GLN 62 Ca 0.08 -4.46 -0.37 0.00 -0.01 0.00 0.00 57.00 52.23 3ia2 n GLN 62 Cb 0.53 -2.21 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 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 -1.81 3.69 0.25 -1.09 0.04 -1.26 -4.94 135.00 129.88 3ia2 s PRO 63 Ca 0.32 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.22 3ia2 s PRO 63 Cb 0.05 -2.40 0.29 0.00 0.04 0.00 0.00 34.50 32.47 3ia2 s PRO 63 CO -0.11 -0.63 1.60 2.35 0.04 0.00 0.00 177.00 180.26 3ia2 h TRP 64 N 2.00 0.44 -1.76 0.56 2.91 -2.01 -3.45 115.95 114.64 3ia2 h TRP 64 Ca -0.50 -0.14 -0.52 0.00 1.13 0.00 0.00 58.89 58.87 3ia2 h TRP 64 Cb 1.25 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.76 3ia2 h TRP 64 CO 0.52 0.78 -0.47 0.95 -1.03 0.00 0.00 178.44 179.19 3ia2 s THR 65 N -4.03 3.04 0.00 2.65 -4.23 -1.26 -4.71 115.64 107.10 3ia2 s THR 65 Ca -0.05 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3ia2 s THR 65 Cb 0.12 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.91 3ia2 s THR 65 CO 0.80 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 3ia2 n GLY 66 N -1.32 0.59 2.59 3.99 0.00 -1.26 -4.96 105.19 104.82 3ia2 n GLY 66 Ca -0.01 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 0.38 6.65 -3.93 1.61 3.02 -1.26 -4.46 115.26 117.27 3ia2 n ASN 67 Ca 0.00 -2.94 -0.09 0.00 -0.03 0.00 0.00 54.58 51.52 3ia2 n ASN 67 Cb 0.00 -1.49 -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 1.44 0.09 0.26 6.41 1.47 -1.26 -4.60 116.67 120.47 3ia2 s ASP 68 Ca 0.53 -0.79 -0.03 0.00 1.18 0.00 0.00 52.55 53.43 3ia2 s ASP 68 Cb 0.15 0.39 0.31 0.00 -0.34 0.00 0.00 42.92 43.43 3ia2 s ASP 68 CO -0.06 -0.82 1.79 1.88 0.68 0.00 0.00 175.17 178.65 3ia2 h TYR 69 N 2.64 0.96 -0.74 2.11 0.05 -1.93 -0.13 116.97 119.93 3ia2 h TYR 69 Ca -0.33 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.38 3ia2 h TYR 69 Cb 1.21 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.63 3ia2 h TYR 69 CO 0.41 0.80 0.48 -0.44 -1.05 0.00 0.00 178.16 178.36 3ia2 h ASP 70 N 0.89 0.81 -0.27 3.88 3.32 -1.96 0.95 116.42 124.04 3ia2 h ASP 70 Ca 0.19 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3ia2 h ASP 70 Cb 0.31 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ia2 h ASP 70 CO -0.00 0.57 -0.17 0.74 -1.72 0.00 0.00 179.24 178.66 3ia2 h THR 71 N 0.96 1.30 -0.61 0.35 2.02 -1.71 -1.92 112.91 113.30 3ia2 h THR 71 Ca 0.28 -1.29 0.09 0.00 0.77 0.00 0.00 66.41 66.26 3ia2 h THR 71 Cb -0.05 1.56 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 3ia2 h THR 71 CO -0.08 0.41 0.25 -0.26 0.37 0.00 0.00 175.52 176.21 3ia2 h PHE 72 N 0.32 0.44 -0.73 3.16 0.04 -0.70 0.95 116.94 120.43 3ia2 h PHE 72 Ca 0.05 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3ia2 h PHE 72 Cb 0.71 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 3ia2 h PHE 72 CO 0.07 0.14 0.23 0.00 -0.60 0.00 0.00 178.31 178.15 3ia2 h ALA 73 N 1.40 1.04 -0.01 2.45 0.00 -0.73 -1.87 119.26 121.54 3ia2 h ALA 73 Ca 0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3ia2 h ALA 73 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ia2 h ALA 73 CO -0.28 0.65 -0.59 -0.44 0.00 0.00 0.00 179.25 178.59 3ia2 h ASP 74 N 1.08 0.03 -0.32 0.00 3.32 -0.64 -0.86 116.42 119.03 3ia2 h ASP 74 Ca 0.24 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ia2 h ASP 74 Cb 0.29 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3ia2 h ASP 74 CO -0.01 0.61 0.20 0.44 -1.72 0.00 0.00 179.24 178.76 3ia2 h ASP 75 N 0.02 0.38 -0.57 6.45 3.32 -0.40 -0.82 116.42 124.81 3ia2 h ASP 75 Ca -0.01 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3ia2 h ASP 75 Cb 1.04 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 3ia2 h ASP 75 CO 0.08 0.32 0.33 0.40 -1.72 0.00 0.00 179.24 178.65 3ia2 h ILE 76 N 0.42 1.18 -0.62 0.35 2.04 -1.02 -1.79 117.51 118.06 3ia2 h ILE 76 Ca 0.12 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3ia2 h ILE 76 Cb 0.00 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 3ia2 h ILE 76 CO -0.02 0.19 0.34 0.00 0.00 0.00 0.00 178.15 178.65 3ia2 h ALA 77 N 1.16 0.81 -0.65 1.87 0.00 -0.92 -0.85 119.26 120.68 3ia2 h ALA 77 Ca 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3ia2 h ALA 77 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ia2 h ALA 77 CO -0.04 0.01 0.23 0.37 0.00 0.00 0.00 179.25 179.82 3ia2 h GLN 78 N 0.63 0.99 -0.41 0.00 4.15 -0.78 -0.94 115.11 118.75 3ia2 h GLN 78 Ca 0.27 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3ia2 h GLN 78 Cb 0.16 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3ia2 h GLN 78 CO -0.17 0.85 0.26 1.25 -1.93 0.00 0.00 178.83 179.09 3ia2 h LEU 79 N 0.92 0.48 -0.75 -2.39 5.85 -0.81 0.68 115.31 119.29 3ia2 h LEU 79 Ca 0.21 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3ia2 h LEU 79 Cb 0.25 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3ia2 h LEU 79 CO -0.01 0.37 0.49 0.40 -0.34 0.00 0.00 178.44 179.35 3ia2 h ILE 80 N 0.55 1.17 -0.23 4.05 2.04 -0.91 -1.64 117.51 122.55 3ia2 h ILE 80 Ca 0.15 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 3ia2 h ILE 80 Cb -0.04 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3ia2 h ILE 80 CO -0.03 0.18 -0.50 -0.33 0.00 0.00 0.00 178.15 177.47 3ia2 h GLU 81 N 1.00 0.62 -0.98 2.37 3.07 -0.74 0.47 114.58 120.39 3ia2 h GLU 81 Ca 0.28 -0.37 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 3ia2 h GLU 81 Cb -0.09 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 3ia2 h GLU 81 CO -0.07 0.98 0.64 1.25 -1.40 0.00 0.00 179.01 180.40 3ia2 h HIS 82 N 0.49 1.17 -0.02 4.33 2.76 0.97 -2.24 115.15 122.60 3ia2 h HIS 82 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3ia2 h HIS 82 Cb 1.05 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3ia2 h HIS 82 CO 0.05 0.61 -0.27 1.28 -1.30 0.00 0.00 177.93 178.30 3ia2 n LEU 83 N -4.49 2.41 -3.73 0.26 4.77 -0.67 -4.98 117.00 110.56 3ia2 n LEU 83 Ca 0.15 -0.85 -0.22 0.00 -0.03 0.00 0.00 56.01 55.06 3ia2 n LEU 83 Cb 0.18 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3ia2 n LEU 83 CO 0.32 0.42 -0.07 -0.67 -1.33 0.00 0.00 177.39 176.07 3ia2 n ASP 84 N 0.54 -1.35 -4.76 -1.43 2.03 0.01 -4.92 116.55 106.66 3ia2 n ASP 84 Ca 0.11 -0.83 -0.40 0.00 0.52 0.00 0.00 54.79 54.20 3ia2 n ASP 84 Cb 0.52 -3.97 -0.04 0.00 -0.72 0.00 0.00 41.12 36.90 3ia2 n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3ia2 s LEU 85 N -6.74 4.48 0.04 -2.67 1.43 -0.33 -5.03 118.68 109.87 3ia2 s LEU 85 Ca 0.05 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.38 3ia2 s LEU 85 Cb -0.03 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 3ia2 s LEU 85 CO 0.82 -0.18 -0.09 -0.54 0.23 0.00 0.00 176.35 176.58 3ia2 s LYS 86 N -1.62 0.60 -1.40 1.70 1.02 -1.26 -4.83 119.74 113.95 3ia2 s LYS 86 Ca 0.47 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.64 3ia2 s LYS 86 Cb -0.30 -0.45 0.04 0.00 -0.52 0.00 0.00 37.83 36.60 3ia2 s LYS 86 CO 0.38 0.09 0.92 0.39 -0.92 0.00 0.00 175.35 176.21 3ia2 n GLU 87 N 1.59 -5.77 -2.81 1.68 1.02 -0.64 -4.54 120.64 111.17 3ia2 n GLU 87 Ca -0.21 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 3ia2 n GLU 87 Cb 0.55 -5.47 -0.05 0.00 -0.02 0.00 0.00 31.44 26.45 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 -3.44 4.36 -0.33 2.62 1.01 -0.06 -4.36 120.40 120.21 3ia2 s VAL 88 Ca 0.37 1.96 -0.14 0.00 0.00 0.00 0.00 61.98 64.17 3ia2 s VAL 88 Cb -0.18 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3ia2 s VAL 88 CO 0.80 0.42 0.28 -0.89 0.00 0.00 0.00 175.10 175.71 3ia2 s THR 89 N -0.60 5.24 -0.08 3.92 2.01 -0.73 -0.24 115.64 125.16 3ia2 s THR 89 Ca 0.42 -0.05 -0.22 0.00 0.31 0.00 0.00 61.69 62.15 3ia2 s THR 89 Cb -0.24 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3ia2 s THR 89 CO 0.29 -0.00 0.64 -0.76 -0.69 0.00 0.00 174.62 174.10 3ia2 s LEU 90 N 1.84 4.30 -0.15 4.42 1.43 -0.37 -1.29 118.68 128.85 3ia2 s LEU 90 Ca 0.08 1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3ia2 s LEU 90 Cb -0.17 -2.98 0.03 0.00 0.03 0.00 0.00 46.19 43.10 3ia2 s LEU 90 CO 0.11 -0.10 -0.09 -0.69 0.23 0.00 0.00 176.35 175.82 3ia2 s VAL 91 N 0.81 1.28 -0.03 -1.59 1.01 -0.01 -0.02 120.40 121.84 3ia2 s VAL 91 Ca 0.34 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.79 3ia2 s VAL 91 Cb -0.17 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3ia2 s VAL 91 CO 0.16 0.27 -0.23 -0.83 0.00 0.00 0.00 175.10 174.47 3ia2 s GLY 92 N 1.58 1.14 -0.10 4.51 0.00 -0.48 -0.14 107.32 113.84 3ia2 s GLY 92 Ca 0.02 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.79 3ia2 s GLY 92 CO -0.09 -0.72 -0.12 -0.12 0.00 0.00 0.00 173.10 172.06 3ia2 s PHE 93 N -0.37 2.81 0.00 1.90 5.36 -0.67 -0.45 117.98 126.56 3ia2 s PHE 93 Ca 0.04 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 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 0.02 0.00 0.45 -1.46 0.00 0.00 175.22 174.24 3ia2 n SER 94 N 2.91 0.00 0.29 6.13 2.88 -0.15 -0.07 113.62 125.61 3ia2 n SER 94 Ca -0.18 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.54 3ia2 n SER 94 Cb 0.53 0.00 0.89 0.00 -0.75 0.00 0.00 64.21 64.87 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 -1.84 114.93 109.78 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 0.04 0.00 0.78 -0.00 0.00 0.00 176.91 177.73 3ia2 h GLY 96 N 0.86 0.00 1.98 -3.00 0.00 -0.47 -1.10 103.07 101.34 3ia2 h GLY 96 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3ia2 h GLY 96 CO 0.01 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.88 3ia2 h GLY 97 N 2.32 0.03 0.84 4.60 0.00 -1.41 -3.16 103.07 106.30 3ia2 h GLY 97 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3ia2 h GLY 97 CO 0.00 0.02 -0.08 -1.33 0.00 0.00 0.00 176.54 175.15 3ia2 h GLY 98 N 1.04 0.52 2.00 4.60 0.00 -1.34 -2.60 103.07 107.28 3ia2 h GLY 98 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 3ia2 h GLY 98 CO 0.05 0.40 -0.61 1.29 0.00 0.00 0.00 176.54 177.67 3ia2 h ASP 99 N 0.21 0.00 0.16 0.19 3.04 -1.61 -0.09 116.42 118.33 3ia2 h ASP 99 Ca 0.06 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.67 3ia2 h ASP 99 Cb 0.56 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.84 3ia2 h ASP 99 CO 0.03 0.61 -0.70 -0.37 -2.04 0.00 0.00 179.24 176.77 3ia2 h VAL 100 N 0.00 1.35 -0.25 4.15 -1.51 -1.62 -0.46 116.25 117.91 3ia2 h VAL 100 Ca -0.01 -2.05 -0.04 0.00 -1.23 0.00 0.00 66.70 63.38 3ia2 h VAL 100 Cb 1.30 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 32.48 3ia2 h VAL 100 CO 0.08 0.62 -0.01 0.00 -1.23 0.00 0.00 177.57 177.03 3ia2 h ALA 101 N 0.90 0.34 0.00 5.19 0.00 -1.35 -2.81 119.26 121.52 3ia2 h ALA 101 Ca -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3ia2 h ALA 101 Cb 1.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ia2 h ALA 101 CO 0.12 0.08 -0.34 -0.09 0.00 0.00 0.00 179.25 179.02 3ia2 h ARG 102 N 0.22 0.00 -0.34 0.00 9.65 -1.01 -1.87 114.38 121.03 3ia2 h ARG 102 Ca 0.07 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3ia2 h ARG 102 Cb 0.43 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 3ia2 h ARG 102 CO 0.01 0.34 0.18 -0.92 2.80 0.00 0.00 179.97 182.39 3ia2 h TYR 103 N 0.00 0.47 -0.50 2.20 3.20 -0.96 -0.72 116.97 120.66 3ia2 h TYR 103 Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3ia2 h TYR 103 Cb 0.62 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 3ia2 h TYR 103 CO 0.00 0.38 0.17 0.82 -1.64 0.00 0.00 178.16 177.89 3ia2 h ILE 104 N 0.42 1.22 -0.64 1.81 2.04 -1.21 0.15 117.51 121.30 3ia2 h ILE 104 Ca 0.12 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3ia2 h ILE 104 Cb 0.07 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3ia2 h ILE 104 CO -0.02 0.27 0.29 0.00 0.00 0.00 0.00 178.15 178.69 3ia2 h ALA 105 N 1.03 1.30 0.00 1.87 0.00 -1.18 0.45 119.26 122.72 3ia2 h ALA 105 Ca 0.16 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3ia2 h ALA 105 Cb 0.24 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3ia2 h ALA 105 CO -0.01 0.54 -1.41 0.00 0.00 0.00 0.00 179.25 178.37 3ia2 h ARG 106 N 0.91 0.00 0.00 0.00 3.08 -0.95 -3.40 114.38 114.02 3ia2 h ARG 106 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3ia2 h ARG 106 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3ia2 h ARG 106 CO -0.03 0.64 0.00 0.72 -1.07 0.00 0.00 179.97 180.24 3ia2 n HIS 107 N -3.14 0.00 0.00 3.04 8.25 0.51 -5.09 115.22 118.79 3ia2 n HIS 107 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 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 0.76 -1.26 0.59 -1.41 0.00 0.16 -4.71 105.19 99.32 3ia2 n GLY 108 Ca 0.00 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.04 3.29 -0.31 1.61 3.41 -1.26 -4.53 113.62 114.78 3ia2 n SER 109 Ca 0.00 -2.98 0.12 0.00 -0.26 0.00 0.00 58.87 55.75 3ia2 n SER 109 Cb 0.00 -0.48 0.34 0.00 -0.26 0.00 0.00 64.21 63.81 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 1.17 1.74 -0.02 7.33 0.00 -1.98 -0.42 119.26 127.08 3ia2 h ALA 110 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ia2 h ALA 110 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ia2 h ALA 110 CO 0.13 -0.03 -0.02 0.54 0.00 0.00 0.00 179.25 179.88 3ia2 n ARG 111 N -4.62 1.85 -4.16 0.00 1.74 -1.26 -4.75 116.66 105.46 3ia2 n ARG 111 Ca 0.20 -1.28 -0.34 0.00 -0.77 0.00 0.00 57.85 55.66 3ia2 n ARG 111 Cb 0.49 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.03 4.54 -0.11 1.55 1.01 -0.17 -0.88 120.40 124.31 3ia2 s VAL 112 Ca 0.34 -0.13 0.20 0.00 0.00 0.00 0.00 61.98 62.38 3ia2 s VAL 112 Cb 0.21 -3.01 -0.29 0.00 0.00 0.00 0.00 36.38 33.29 3ia2 s VAL 112 CO 0.34 0.50 0.27 0.00 0.00 0.00 0.00 175.10 176.21 3ia2 n ALA 113 N 3.20 2.15 -3.64 5.51 0.00 0.67 -4.76 120.51 123.63 3ia2 n ALA 113 Ca -0.17 -0.92 -0.02 0.00 0.00 0.00 0.00 53.44 52.32 3ia2 n ALA 113 Cb 0.53 -0.46 -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 -4.98 -0.35 -0.01 0.00 0.00 -1.20 -4.31 107.32 96.47 3ia2 s GLY 114 Ca -0.09 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.38 3ia2 s GLY 114 CO 0.86 0.19 -0.04 -2.27 0.00 0.00 0.00 173.10 171.84 3ia2 s LEU 115 N -2.77 1.80 -0.10 0.66 2.96 -0.26 -1.24 118.68 119.73 3ia2 s LEU 115 Ca 0.12 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3ia2 s LEU 115 Cb 0.01 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.47 3ia2 s LEU 115 CO -0.03 0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.22 3ia2 s VAL 116 N 0.18 1.21 -0.30 1.68 1.01 0.97 -0.80 120.40 124.36 3ia2 s VAL 116 Ca -0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 3ia2 s VAL 116 Cb -0.05 -1.16 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3ia2 s VAL 116 CO -0.00 0.39 0.02 -0.76 0.00 0.00 0.00 175.10 174.74 3ia2 s LEU 117 N 1.22 3.92 -0.27 3.92 1.43 0.00 -1.38 118.68 127.52 3ia2 s LEU 117 Ca -0.03 -1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 3ia2 s LEU 117 Cb -0.14 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3ia2 s LEU 117 CO -0.04 -0.26 0.07 -0.76 0.23 0.00 0.00 176.35 175.59 3ia2 s LEU 118 N 1.29 3.60 -1.75 1.79 1.43 0.40 -1.28 118.68 124.17 3ia2 s LEU 118 Ca -0.04 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 3ia2 s LEU 118 Cb -0.19 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.32 3ia2 s LEU 118 CO -0.00 -0.11 0.70 0.61 0.23 0.00 0.00 176.35 177.78 3ia2 n GLY 119 N 4.90 -0.43 3.86 -3.19 0.00 -0.04 -0.98 105.19 109.31 3ia2 n GLY 119 Ca -0.16 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.24 3.19 -0.85 4.61 0.00 -1.26 -2.97 121.76 121.25 3ia2 s ALA 120 Ca 0.77 -0.02 0.24 0.00 0.00 0.00 0.00 51.96 52.95 3ia2 s ALA 120 Cb -0.43 -2.94 0.94 0.00 0.00 0.00 0.00 23.12 20.69 3ia2 s ALA 120 CO 0.95 -0.22 1.74 1.33 0.00 0.00 0.00 175.76 179.56 3ia2 n VAL 121 N -1.67 0.53 -1.89 0.00 0.24 -1.01 -4.30 118.33 110.23 3ia2 n VAL 121 Ca 0.05 0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 62.00 3ia2 n VAL 121 Cb 0.54 -0.76 0.03 0.00 -1.47 0.00 0.00 33.84 32.18 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 -3.08 2.31 -0.64 3.34 -4.23 -1.26 -2.31 115.64 109.77 3ia2 s THR 122 Ca 0.10 0.24 0.24 0.00 -1.18 0.00 0.00 61.69 61.09 3ia2 s THR 122 Cb 0.13 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.95 3ia2 s THR 122 CO 0.46 -0.00 1.39 1.55 -0.54 0.00 0.00 174.62 177.48 3ia2 h PRO 123 N 1.64 0.00 -2.38 3.99 0.13 -1.82 -3.27 132.00 130.29 3ia2 h PRO 123 Ca -0.51 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3ia2 h PRO 123 Cb 1.29 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.26 3ia2 h PRO 123 CO 0.58 0.00 0.32 -0.48 -0.23 0.00 0.00 178.00 178.19 3ia2 s LEU 124 N -4.36 -0.51 -0.04 1.56 2.34 -0.98 -0.03 118.68 116.67 3ia2 s LEU 124 Ca 0.07 0.23 -0.08 0.00 0.06 0.00 0.00 54.13 54.41 3ia2 s LEU 124 Cb 0.13 2.34 -0.03 0.00 -0.56 0.00 0.00 46.19 48.07 3ia2 s LEU 124 CO 0.70 -0.71 -0.16 0.33 -1.06 0.00 0.00 176.35 175.46 3ia2 n PHE 125 N 0.12 0.00 -2.04 3.48 -0.00 -1.21 -4.63 117.46 113.18 3ia2 n PHE 125 Ca -0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.02 3ia2 n PHE 125 Cb 0.61 -0.23 0.06 0.00 -0.00 0.00 0.00 39.48 39.93 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 -4.30 1.63 0.46 7.13 0.00 -0.90 -1.75 107.32 109.58 3ia2 s GLY 126 Ca -0.13 -0.64 -0.24 0.00 0.00 0.00 0.00 44.72 43.70 3ia2 s GLY 126 CO 0.19 -0.23 1.32 1.20 0.00 0.00 0.00 173.10 175.59 3ia2 s GLN 127 N -5.36 3.67 0.27 2.90 -0.21 -0.52 -4.48 119.66 115.94 3ia2 s GLN 127 Ca 0.59 2.18 0.02 0.00 0.02 0.00 0.00 55.36 58.18 3ia2 s GLN 127 Cb -0.11 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.28 3ia2 s GLN 127 CO 0.48 -0.74 0.07 0.15 -2.12 0.00 0.00 175.29 173.13 3ia2 s LYS 128 N -2.51 1.46 0.32 2.91 -0.14 -1.05 -4.92 119.74 115.81 3ia2 s LYS 128 Ca 0.62 -1.79 0.04 0.00 -1.36 0.00 0.00 55.97 53.49 3ia2 s LYS 128 Cb -0.39 -0.48 0.66 0.00 -1.68 0.00 0.00 37.83 35.95 3ia2 s LYS 128 CO 0.48 -0.24 1.87 -1.35 -0.76 0.00 0.00 175.35 175.36 3ia2 h PRO 129 N 2.33 0.85 -0.63 -1.68 0.11 -2.02 0.57 132.00 131.52 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 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ia2 h PRO 129 CO 0.64 0.56 0.00 -0.40 -0.21 0.00 0.00 178.00 178.59 3ia2 n ASP 130 N -4.56 3.62 -3.19 -2.05 5.75 -1.26 -4.46 116.55 110.40 3ia2 n ASP 130 Ca 0.17 -2.13 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 3ia2 n ASP 130 Cb 0.36 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.21 0.18 0.29 2.11 9.36 0.18 -4.92 117.16 125.58 3ia2 n TYR 131 Ca 0.21 -3.82 0.10 0.00 3.32 0.00 0.00 57.90 57.71 3ia2 n TYR 131 Cb 0.61 -0.42 0.46 0.00 -0.63 0.00 0.00 39.34 39.36 3ia2 n TYR 131 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3ia2 n PRO 132 N 0.28 0.14 0.10 2.98 -0.04 -1.18 -1.93 135.00 135.35 3ia2 n PRO 132 Ca 0.25 0.49 0.13 0.00 -0.04 0.00 0.00 63.50 64.32 3ia2 n PRO 132 Cb 0.66 -1.83 0.45 0.00 -0.04 0.00 0.00 33.50 32.74 3ia2 n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ia2 n GLN 133 N -2.10 0.21 -0.85 0.54 0.00 -1.26 -4.84 117.38 109.08 3ia2 n GLN 133 Ca 0.01 0.27 -0.30 0.00 0.00 0.00 0.00 57.00 56.98 3ia2 n GLN 133 Cb 0.13 -1.80 0.25 0.00 0.00 0.00 0.00 30.24 28.83 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 -3.51 1.53 -0.10 2.61 0.00 -0.81 -4.96 107.32 102.08 3ia2 s GLY 134 Ca 0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 3ia2 s GLY 134 CO 0.51 0.06 1.14 0.14 0.00 0.00 0.00 173.10 174.94 3ia2 s VAL 135 N -2.76 4.45 0.32 1.40 1.01 -0.72 -4.42 120.40 119.68 3ia2 s VAL 135 Ca 0.70 1.76 -0.28 0.00 0.00 0.00 0.00 61.98 64.16 3ia2 s VAL 135 Cb -0.12 -4.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 3ia2 s VAL 135 CO 0.57 -0.04 1.16 -2.65 0.00 0.00 0.00 175.10 174.14 3ia2 n PRO 136 N 5.45 1.76 0.26 2.72 -0.02 -1.26 -1.44 135.00 142.47 3ia2 n PRO 136 Ca 0.11 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3ia2 n PRO 136 Cb 0.47 -2.10 0.69 0.00 -0.02 0.00 0.00 33.50 32.53 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 -1.58 2.45 3.38 -1.93 -2.06 115.31 117.84 3ia2 h LEU 137 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3ia2 h LEU 137 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3ia2 h LEU 137 CO 0.62 0.12 0.00 -2.24 0.09 0.00 0.00 178.44 177.03 3ia2 h ASP 138 N 0.00 0.00 -0.40 -0.43 2.03 -1.98 0.38 116.42 116.01 3ia2 h ASP 138 Ca -0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 3ia2 h ASP 138 Cb 0.45 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 3ia2 h ASP 138 CO 0.02 0.00 -0.14 0.58 -1.03 0.00 0.00 179.24 178.67 3ia2 h VAL 139 N 0.00 1.28 0.02 4.15 2.07 -1.73 -2.21 116.25 119.83 3ia2 h VAL 139 Ca 0.00 -1.25 -0.21 0.00 0.82 0.00 0.00 66.70 66.06 3ia2 h VAL 139 Cb 0.29 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3ia2 h VAL 139 CO 0.00 0.42 -0.96 -0.26 0.02 0.00 0.00 177.57 176.79 3ia2 h PHE 140 N 0.61 0.24 -0.73 1.57 0.04 -1.35 -2.48 116.94 114.84 3ia2 h PHE 140 Ca 0.10 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ia2 h PHE 140 Cb 0.68 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3ia2 h PHE 140 CO 0.05 1.01 0.48 0.00 -0.60 0.00 0.00 178.31 179.26 3ia2 h ALA 141 N 0.94 1.54 -0.42 2.45 0.00 -0.97 -1.86 119.26 120.94 3ia2 h ALA 141 Ca -0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ia2 h ALA 141 Cb 1.63 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3ia2 h ALA 141 CO 0.14 0.40 -0.19 -0.09 0.00 0.00 0.00 179.25 179.51 3ia2 h ARG 142 N 0.92 0.88 -0.37 0.00 2.43 -1.20 -1.65 114.38 115.39 3ia2 h ARG 142 Ca 0.28 -0.38 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3ia2 h ARG 142 Cb -0.01 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.43 3ia2 h ARG 142 CO -0.07 1.03 -0.23 0.74 -1.51 0.00 0.00 179.97 179.92 3ia2 h PHE 143 N 0.70 -0.61 -0.54 2.20 -1.00 -0.97 -1.54 116.94 115.17 3ia2 h PHE 143 Ca 0.10 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.92 3ia2 h PHE 143 Cb 0.76 0.33 -0.03 0.00 3.61 0.00 0.00 35.95 40.62 3ia2 h PHE 143 CO 0.06 -0.31 0.33 0.87 -1.61 0.00 0.00 178.31 177.65 3ia2 h LYS 144 N -0.18 0.73 -0.63 1.51 1.57 -1.11 0.77 116.57 119.24 3ia2 h LYS 144 Ca 0.18 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3ia2 h LYS 144 Cb 0.46 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3ia2 h LYS 144 CO -0.48 0.52 0.39 1.15 -0.57 0.00 0.00 179.45 180.47 3ia2 h THR 145 N 0.73 1.09 -0.25 -0.16 2.02 -1.00 -0.36 112.91 114.98 3ia2 h THR 145 Ca 0.20 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3ia2 h THR 145 Cb -0.03 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 3ia2 h THR 145 CO -0.04 0.14 -0.39 -0.33 0.37 0.00 0.00 175.52 175.28 3ia2 h GLU 146 N 0.78 0.71 -0.67 6.66 5.08 -0.94 -2.94 114.58 123.26 3ia2 h GLU 146 Ca 0.25 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3ia2 h GLU 146 Cb -0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3ia2 h GLU 146 CO -0.09 1.04 0.37 -0.07 -1.00 0.00 0.00 179.01 179.26 3ia2 h LEU 147 N 0.44 0.82 0.00 1.33 3.38 -0.63 -1.03 115.31 119.62 3ia2 h LEU 147 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3ia2 h LEU 147 Cb 0.98 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ia2 h LEU 147 CO 0.09 0.66 0.00 0.18 0.09 0.00 0.00 178.44 179.46 3ia2 n LEU 148 N -4.37 0.00 -0.13 1.67 4.77 -0.16 -2.70 117.00 116.07 3ia2 n LEU 148 Ca 0.07 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 56.08 3ia2 n LEU 148 Cb 0.10 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 3ia2 n LEU 148 CO 0.37 -0.03 -1.41 0.29 -1.33 0.00 0.00 177.39 175.29 3ia2 n LYS 149 N -1.29 0.60 -2.93 3.23 5.02 -0.83 -4.95 118.16 117.01 3ia2 n LYS 149 Ca 0.13 0.22 -0.02 0.00 -2.02 0.00 0.00 58.31 56.62 3ia2 n LYS 149 Cb 0.22 -1.49 0.00 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 -7.12 -1.42 0.32 4.39 -1.08 -0.45 -5.02 116.67 106.28 3ia2 s ASP 150 Ca -0.37 -1.29 0.08 0.00 -0.52 0.00 0.00 52.55 50.45 3ia2 s ASP 150 Cb 0.13 1.84 0.53 0.00 -1.46 0.00 0.00 42.92 43.95 3ia2 s ASP 150 CO 0.52 -0.09 1.74 0.08 0.52 0.00 0.00 175.17 177.93 3ia2 h ARG 151 N 5.73 0.19 -0.20 4.34 0.11 -1.68 -2.14 114.38 120.74 3ia2 h ARG 151 Ca 0.05 -0.08 0.01 0.00 0.10 0.00 0.00 59.98 60.06 3ia2 h ARG 151 Cb 1.14 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 3ia2 h ARG 151 CO 0.04 0.55 0.09 0.00 0.10 0.00 0.00 179.97 180.75 3ia2 h ALA 152 N 1.44 0.23 -0.09 0.08 0.00 -1.94 -0.95 119.26 118.03 3ia2 h ALA 152 Ca 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3ia2 h ALA 152 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ia2 h ALA 152 CO 0.06 -0.32 -0.58 0.37 0.00 0.00 0.00 179.25 178.77 3ia2 h GLN 153 N 0.20 0.29 -0.36 0.00 5.75 -1.95 -2.42 115.11 116.63 3ia2 h GLN 153 Ca 0.08 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.43 3ia2 h GLN 153 Cb 0.02 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3ia2 h GLN 153 CO -0.06 0.79 0.10 0.35 -2.65 0.00 0.00 178.83 177.36 3ia2 h PHE 154 N 0.22 0.17 -0.28 3.99 3.57 -1.06 -0.14 116.94 123.40 3ia2 h PHE 154 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3ia2 h PHE 154 Cb 1.08 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3ia2 h PHE 154 CO 0.03 0.05 0.19 0.82 -2.23 0.00 0.00 178.31 177.16 3ia2 h ILE 155 N 0.23 1.08 -0.42 1.41 2.04 -1.02 -0.47 117.51 120.36 3ia2 h ILE 155 Ca 0.17 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3ia2 h ILE 155 Cb 0.17 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3ia2 h ILE 155 CO -0.20 0.07 0.20 0.28 0.00 0.00 0.00 178.15 178.50 3ia2 h SER 156 N 0.38 0.28 0.53 1.72 0.02 -1.09 -1.90 113.55 113.50 3ia2 h SER 156 Ca 0.10 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3ia2 h SER 156 Cb -0.04 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ia2 h SER 156 CO -0.02 0.20 -0.27 0.44 -1.14 0.00 0.00 176.83 176.04 3ia2 h ASP 157 N 0.40 0.00 0.76 3.07 3.32 -0.78 -2.88 116.42 120.31 3ia2 h ASP 157 Ca 0.18 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3ia2 h ASP 157 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3ia2 h ASP 157 CO -0.14 0.27 -0.29 0.15 -1.72 0.00 0.00 179.24 177.50 3ia2 h PHE 158 N 0.00 0.00 -0.82 4.55 3.04 -0.26 -3.24 116.94 120.22 3ia2 h PHE 158 Ca -0.00 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.11 3ia2 h PHE 158 Cb 0.61 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.01 3ia2 h PHE 158 CO 0.00 0.29 0.36 -0.91 -2.02 0.00 0.00 178.31 176.03 3ia2 h ASN 159 N 0.00 0.36 0.94 0.41 2.35 -1.27 -1.79 115.58 116.58 3ia2 h ASN 159 Ca -0.00 0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3ia2 h ASN 159 Cb 0.75 0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.20 3ia2 h ASN 159 CO 0.04 0.11 -0.45 0.00 -1.65 0.00 0.00 177.43 175.48 3ia2 h ALA 160 N 1.59 -1.26 0.00 -0.83 0.00 -1.77 -1.45 119.26 115.54 3ia2 h ALA 160 Ca 0.46 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3ia2 h ALA 160 Cb 0.74 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3ia2 h ALA 160 CO -0.42 -1.17 -0.33 -1.00 0.00 0.00 0.00 179.25 176.33 3ia2 h PRO 161 N -1.34 0.00 -0.16 0.00 0.13 -1.77 0.80 132.00 129.66 3ia2 h PRO 161 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3ia2 h PRO 161 Cb 0.97 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.09 3ia2 h PRO 161 CO 0.21 0.33 0.08 0.35 -0.23 0.00 0.00 178.00 178.74 3ia2 h PHE 162 N 0.00 0.23 -0.01 1.56 3.04 -1.19 -3.11 116.94 117.46 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 0.69 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.13 3ia2 h PHE 162 CO 0.00 0.26 -0.32 0.66 -2.02 0.00 0.00 178.31 176.88 3ia2 n TYR 163 N -4.90 0.00 -1.81 0.41 4.01 -0.56 -0.85 117.16 113.47 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 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.39 0.26 2.72 0.00 0.06 -4.71 105.19 105.28 3ia2 n GLY 164 Ca 0.11 -0.61 0.03 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 1.14 0.00 -0.61 2.04 -1.15 -0.02 117.51 118.91 3ia2 h ILE 165 Ca -0.18 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3ia2 h ILE 165 Cb 0.90 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3ia2 h ILE 165 CO 0.22 0.18 0.00 -0.46 0.00 0.00 0.00 178.15 178.10 3ia2 n ASN 166 N -4.36 0.00 -2.57 1.72 6.94 -1.24 -3.51 115.26 112.23 3ia2 n ASN 166 Ca 0.00 -0.08 -0.10 0.00 -0.02 0.00 0.00 54.58 54.38 3ia2 n ASN 166 Cb 0.19 -0.25 0.03 0.00 -2.36 0.00 0.00 39.78 37.40 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 -1.25 2.23 -0.00 -3.83 5.02 -0.08 -5.00 118.16 115.25 3ia2 n LYS 167 Ca 0.10 -3.71 0.00 0.00 -2.02 0.00 0.00 58.31 52.68 3ia2 n LYS 167 Cb 0.15 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3ia2 n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ia2 n GLY 168 N -0.51 1.19 3.76 0.72 0.00 -1.17 -5.04 105.19 104.14 3ia2 n GLY 168 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.60 4.56 -0.29 1.61 -1.52 -0.84 -5.01 119.66 117.56 3ia2 s GLN 169 Ca 0.00 1.84 -0.09 0.00 -1.95 0.00 0.00 55.36 55.16 3ia2 s GLN 169 Cb 0.00 -3.12 -0.02 0.00 -0.22 0.00 0.00 33.01 29.65 3ia2 s GLN 169 CO 0.00 0.12 0.13 0.08 -0.25 0.00 0.00 175.29 175.38 3ia2 s VAL 170 N -1.20 4.60 -0.03 1.09 1.01 -1.26 -4.32 120.40 120.29 3ia2 s VAL 170 Ca 0.46 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.18 3ia2 s VAL 170 Cb -0.32 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.79 3ia2 s VAL 170 CO 0.42 0.17 -0.06 0.68 0.00 0.00 0.00 175.10 176.30 3ia2 s VAL 171 N 1.63 0.59 0.79 2.92 -7.23 -1.26 -4.98 120.40 112.86 3ia2 s VAL 171 Ca 0.05 -0.22 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 3ia2 s VAL 171 Cb -0.16 -0.56 0.07 0.00 0.56 0.00 0.00 36.38 36.28 3ia2 s VAL 171 CO 0.06 0.21 1.14 -0.94 -0.31 0.00 0.00 175.10 175.26 3ia2 s SER 172 N 0.49 4.07 0.42 4.85 1.04 -1.26 -4.91 113.70 118.41 3ia2 s SER 172 Ca -0.07 2.07 0.12 0.00 0.48 0.00 0.00 55.95 58.56 3ia2 s SER 172 Cb -0.10 -2.55 0.92 0.00 0.10 0.00 0.00 66.02 64.38 3ia2 s SER 172 CO 0.00 -2.33 1.98 -0.61 0.98 0.00 0.00 173.24 173.26 3ia2 h GLN 173 N -0.98 0.14 -0.24 4.02 5.75 -2.01 -2.73 115.11 119.07 3ia2 h GLN 173 Ca -0.45 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.04 3ia2 h GLN 173 Cb 1.26 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 3ia2 h GLN 173 CO 0.49 0.26 0.11 0.78 -2.65 0.00 0.00 178.83 177.82 3ia2 h GLY 174 N 0.58 0.31 1.00 2.39 0.00 -1.99 0.15 103.07 105.52 3ia2 h GLY 174 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ia2 h GLY 174 CO 0.02 0.06 0.41 -2.08 0.00 0.00 0.00 176.54 174.95 3ia2 h VAL 175 N 0.24 1.18 -0.49 4.60 2.07 -1.87 -0.25 116.25 121.74 3ia2 h VAL 175 Ca 0.10 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3ia2 h VAL 175 Cb 0.03 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3ia2 h VAL 175 CO -0.07 0.19 -0.01 1.56 0.02 0.00 0.00 177.57 179.25 3ia2 h GLN 176 N 0.89 0.82 -0.33 1.57 4.20 -1.17 -0.67 115.11 120.41 3ia2 h GLN 176 Ca 0.24 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3ia2 h GLN 176 Cb -0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3ia2 h GLN 176 CO -0.05 0.83 -0.05 1.15 -0.67 0.00 0.00 178.83 180.04 3ia2 h THR 177 N 0.76 1.27 -0.66 -0.54 2.02 -0.32 -2.30 112.91 113.15 3ia2 h THR 177 Ca 0.15 -1.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 3ia2 h THR 177 Cb 0.47 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3ia2 h THR 177 CO 0.02 0.35 0.16 -0.61 0.37 0.00 0.00 175.52 175.81 3ia2 h GLN 178 N 0.41 1.03 -0.22 6.66 4.15 -0.82 -0.45 115.11 125.87 3ia2 h GLN 178 Ca 0.09 -0.23 0.01 0.00 0.77 0.00 0.00 58.65 59.28 3ia2 h GLN 178 Cb 0.53 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3ia2 h GLN 178 CO 0.03 0.91 0.12 1.15 -1.93 0.00 0.00 178.83 179.11 3ia2 h THR 179 N 0.99 1.01 -0.38 2.39 2.02 -1.04 -1.33 112.91 116.56 3ia2 h THR 179 Ca 0.21 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3ia2 h THR 179 Cb 0.34 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3ia2 h THR 179 CO 0.00 0.05 0.09 0.25 0.37 0.00 0.00 175.52 176.28 3ia2 h LEU 180 N 0.25 0.58 -0.31 2.58 5.85 -1.16 -2.03 115.31 121.07 3ia2 h LEU 180 Ca 0.09 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3ia2 h LEU 180 Cb 0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 3ia2 h LEU 180 CO -0.05 0.67 0.05 -0.61 -0.34 0.00 0.00 178.44 178.16 3ia2 h GLN 181 N 0.48 0.15 -0.47 1.25 4.15 -0.83 -1.54 115.11 118.30 3ia2 h GLN 181 Ca 0.12 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 3ia2 h GLN 181 Cb 0.31 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3ia2 h GLN 181 CO 0.00 0.10 0.14 0.82 -1.93 0.00 0.00 178.83 177.96 3ia2 h ILE 182 N 0.16 1.23 -0.41 2.39 2.04 -1.19 -2.97 117.51 118.76 3ia2 h ILE 182 Ca 0.15 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3ia2 h ILE 182 Cb 0.17 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ia2 h ILE 182 CO -0.20 0.28 0.19 0.00 0.00 0.00 0.00 178.15 178.41 3ia2 h ALA 183 N 1.00 1.57 0.00 1.87 0.00 -1.01 -2.10 119.26 120.59 3ia2 h ALA 183 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ia2 h ALA 183 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ia2 h ALA 183 CO -0.00 0.35 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 3ia2 h LEU 184 N 0.57 0.00 -1.45 0.00 3.38 -1.12 -2.30 115.31 114.39 3ia2 h LEU 184 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3ia2 h LEU 184 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3ia2 h LEU 184 CO -0.02 0.00 -0.22 -0.07 0.09 0.00 0.00 178.44 178.22 3ia2 h LEU 185 N 0.00 0.07-10.30 1.67 3.38 -1.34 -3.46 115.31 105.33 3ia2 h LEU 185 Ca 0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 57.88 57.46 3ia2 h LEU 185 Cb 0.59 -0.02 0.16 0.00 0.09 0.00 0.00 40.66 41.48 3ia2 h LEU 185 CO 0.00 0.30 0.24 0.00 0.09 0.00 0.00 178.44 179.07 3ia2 s ALA 186 N -4.53 1.52 0.16 1.53 0.00 -0.87 -4.58 121.76 114.99 3ia2 s ALA 186 Ca -0.04 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 3ia2 s ALA 186 Cb 0.15 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 3ia2 s ALA 186 CO 0.72 -2.42 0.99 0.45 0.00 0.00 0.00 175.76 175.50 3ia2 s SER 187 N -3.21 7.49 0.22 0.00 0.15 0.66 -4.97 113.70 114.05 3ia2 s SER 187 Ca 0.64 1.91 -0.08 0.00 0.70 0.00 0.00 55.95 59.12 3ia2 s SER 187 Cb -0.19 -2.60 0.29 0.00 -1.71 0.00 0.00 66.02 61.81 3ia2 s SER 187 CO 0.58 -0.04 1.81 0.25 1.20 0.00 0.00 173.24 177.04 3ia2 h LEU 188 N 5.07 0.59 -0.10 3.45 5.85 -1.95 -0.22 115.31 128.00 3ia2 h LEU 188 Ca -0.44 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3ia2 h LEU 188 Cb 1.21 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 3ia2 h LEU 188 CO 0.71 0.37 0.04 0.50 -0.34 0.00 0.00 178.44 179.72 3ia2 h LYS 189 N 0.72 0.15 -0.79 1.25 1.63 -1.96 -1.62 116.57 115.95 3ia2 h LYS 189 Ca 0.33 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 3ia2 h LYS 189 Cb 0.23 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 3ia2 h LYS 189 CO -0.20 0.24 0.44 0.00 -3.45 0.00 0.00 179.45 176.48 3ia2 h ALA 190 N 0.90 1.01 -0.47 5.00 0.00 -1.82 -0.10 119.26 123.78 3ia2 h ALA 190 Ca 0.03 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ia2 h ALA 190 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ia2 h ALA 190 CO -0.00 0.51 0.30 1.15 0.00 0.00 0.00 179.25 181.21 3ia2 h THR 191 N 1.09 1.08 -0.12 0.00 2.02 -0.81 -0.78 112.91 115.40 3ia2 h THR 191 Ca 0.28 -0.20 -0.14 0.00 0.77 0.00 0.00 66.41 67.11 3ia2 h THR 191 Cb 0.02 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3ia2 h THR 191 CO -0.05 0.11 -0.49 0.58 0.37 0.00 0.00 175.52 176.05 3ia2 h VAL 192 N 0.60 1.36 -0.87 3.16 2.07 -1.07 -3.20 116.25 118.29 3ia2 h VAL 192 Ca 0.18 -1.79 0.07 0.00 0.82 0.00 0.00 66.70 65.98 3ia2 h VAL 192 Cb -0.02 2.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.83 3ia2 h VAL 192 CO -0.07 0.54 0.57 0.44 0.02 0.00 0.00 177.57 179.07 3ia2 h ASP 193 N 0.15 0.86 -0.13 0.57 3.32 -0.89 -1.84 116.42 118.46 3ia2 h ASP 193 Ca -0.03 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3ia2 h ASP 193 Cb 1.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3ia2 h ASP 193 CO 0.10 0.54 0.01 0.00 -1.72 0.00 0.00 179.24 178.18 3ia2 h VAL 195 N 0.31 0.94 -0.49 0.00 2.07 -1.34 0.13 116.25 117.86 3ia2 h VAL 195 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3ia2 h VAL 195 Cb 0.19 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 3ia2 h VAL 195 CO 0.00 0.00 0.16 0.74 0.02 0.00 0.00 177.57 178.49 3ia2 h THR 196 N -0.04 0.80 0.66 2.57 2.02 -1.37 0.63 112.91 118.19 3ia2 h THR 196 Ca 0.01 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3ia2 h THR 196 Cb 0.05 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3ia2 h THR 196 CO -0.03 0.06 -0.49 0.00 0.37 0.00 0.00 175.52 175.43 3ia2 h ALA 197 N 1.34 -1.22 0.00 6.16 0.00 -0.78 -2.43 119.26 122.34 3ia2 h ALA 197 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 197 Cb 0.27 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ia2 h ALA 197 CO -0.26 -1.21 -0.11 0.27 0.00 0.00 0.00 179.25 177.94 3ia2 h PHE 198 N -1.10 0.00 -0.19 0.00 -5.15 -0.90 -2.06 116.94 107.54 3ia2 h PHE 198 Ca -0.09 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.52 3ia2 h PHE 198 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.07 3ia2 h PHE 198 CO -0.16 0.11 -0.56 0.00 -2.00 0.00 0.00 178.31 175.70 3ia2 h ALA 199 N 1.89 0.67 0.00 12.09 0.00 -0.81 -3.39 119.26 129.70 3ia2 h ALA 199 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ia2 h ALA 199 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ia2 h ALA 199 CO 0.01 0.69 0.00 0.39 0.00 0.00 0.00 179.25 180.35 3ia2 n GLU 200 N -3.96 4.31 -2.82 0.00 1.02 -0.92 -2.12 120.64 116.16 3ia2 n GLU 200 Ca -0.03 -0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.54 3ia2 n GLU 200 Cb 0.61 -0.64 -0.04 0.00 -0.02 0.00 0.00 31.44 31.35 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 -0.66 4.92 -0.33 2.62 2.01 -0.78 -5.01 115.64 118.41 3ia2 s THR 201 Ca 0.00 1.87 -0.13 0.00 0.31 0.00 0.00 61.69 63.73 3ia2 s THR 201 Cb 0.00 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3ia2 s THR 201 CO 0.00 0.19 0.27 -0.62 -0.69 0.00 0.00 174.62 173.77 3ia2 s ASP 202 N 0.91 6.10 -0.03 3.53 -1.08 -1.26 -4.52 116.67 120.31 3ia2 s ASP 202 Ca 0.47 -0.25 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 3ia2 s ASP 202 Cb -0.20 -2.15 0.58 0.00 -1.46 0.00 0.00 42.92 39.68 3ia2 s ASP 202 CO 0.25 -0.22 1.49 0.49 0.52 0.00 0.00 175.17 177.69 3ia2 n PHE 203 N 5.18 0.97 -0.27 -5.34 3.72 0.95 -4.53 117.46 118.14 3ia2 n PHE 203 Ca -0.12 -0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 56.68 3ia2 n PHE 203 Cb 0.50 -0.08 0.06 0.00 -0.94 0.00 0.00 39.48 39.02 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 3.57 1.11 -0.79 -1.08 3.08 -1.90 -1.28 114.38 117.09 3ia2 h ARG 204 Ca 0.00 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.87 3ia2 h ARG 204 Cb 1.05 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 3ia2 h ARG 204 CO 0.06 0.91 0.53 -1.35 -1.07 0.00 0.00 179.97 179.05 3ia2 h PRO 205 N 1.07 1.01 -0.77 0.04 0.11 -1.92 -2.47 132.00 129.05 3ia2 h PRO 205 Ca 0.25 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 3ia2 h PRO 205 Cb 0.21 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 3ia2 h PRO 205 CO -0.02 0.67 0.46 -0.44 -0.21 0.00 0.00 178.00 178.46 3ia2 h ASP 206 N 1.04 0.92 -0.79 -2.05 5.19 -1.56 -2.82 116.42 116.34 3ia2 h ASP 206 Ca 0.30 -0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.73 3ia2 h ASP 206 Cb -0.05 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.17 3ia2 h ASP 206 CO -0.08 0.71 0.52 0.24 -3.12 0.00 0.00 179.24 177.51 3ia2 h MET 207 N 1.06 0.80 0.00 3.56 2.86 -0.85 -1.22 114.93 121.16 3ia2 h MET 207 Ca 0.28 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3ia2 h MET 207 Cb -0.04 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.44 3ia2 h MET 207 CO -0.05 0.53 0.00 0.00 1.06 0.00 0.00 176.91 178.45 3ia2 h ALA 208 N 1.58 1.00 -0.02 6.32 0.00 -1.55 -2.88 119.26 123.71 3ia2 h ALA 208 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ia2 h ALA 208 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ia2 h ALA 208 CO -0.12 0.00 -0.04 1.63 0.00 0.00 0.00 179.25 180.71 3ia2 n LYS 209 N -2.51 1.97 -2.77 0.00 5.02 -0.47 -4.82 118.16 114.58 3ia2 n LYS 209 Ca 0.03 -1.48 -0.43 0.00 -2.02 0.00 0.00 58.31 54.41 3ia2 n LYS 209 Cb 0.34 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.05 4.23 -0.34 -0.18 1.01 -1.09 -4.84 121.20 117.94 3ia2 s ILE 210 Ca 0.31 0.18 0.06 0.00 0.00 0.00 0.00 60.65 61.19 3ia2 s ILE 210 Cb 0.20 -4.66 0.46 0.00 0.01 0.00 0.00 42.46 38.48 3ia2 s ILE 210 CO 0.34 -1.35 1.39 -0.90 0.00 0.00 0.00 174.94 174.41 3ia2 n ASP 211 N 7.93 4.48 -4.28 3.58 5.75 -1.26 -4.51 116.55 128.24 3ia2 n ASP 211 Ca 0.01 -3.79 -0.16 0.00 -0.01 0.00 0.00 54.79 50.85 3ia2 n ASP 211 Cb 0.47 -0.52 -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 -4.20 1.33 0.23 2.12 -7.23 -1.26 -5.11 120.40 106.28 3ia2 s VAL 212 Ca 0.50 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 3ia2 s VAL 212 Cb 0.42 -1.93 -0.14 0.00 0.56 0.00 0.00 36.38 35.29 3ia2 s VAL 212 CO 0.01 -0.68 1.33 -2.65 -0.31 0.00 0.00 175.10 172.80 3ia2 n PRO 213 N -0.26 1.81 -4.23 4.82 -0.02 -1.26 -4.77 135.00 131.09 3ia2 n PRO 213 Ca -0.09 0.65 -0.17 0.00 -2.02 0.00 0.00 63.50 61.86 3ia2 n PRO 213 Cb 0.61 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.69 3ia2 n PRO 213 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3ia2 s THR 214 N -0.16 0.53 -0.13 3.45 -1.32 -1.26 -1.10 115.64 115.65 3ia2 s THR 214 Ca 0.69 -0.27 0.02 0.00 -1.21 0.00 0.00 61.69 60.92 3ia2 s THR 214 Cb -0.69 -0.45 0.01 0.00 -1.51 0.00 0.00 72.50 69.85 3ia2 s THR 214 CO 0.51 0.16 -0.20 -0.22 -2.21 0.00 0.00 174.62 172.65 3ia2 s LEU 215 N -0.07 2.00 -0.22 9.08 2.96 0.02 -0.46 118.68 132.00 3ia2 s LEU 215 Ca 0.01 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 3ia2 s LEU 215 Cb -0.04 -1.35 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 3ia2 s LEU 215 CO -0.00 0.06 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.39 3ia2 s VAL 216 N 0.86 3.76 -0.05 1.68 1.01 0.14 -0.82 120.40 126.97 3ia2 s VAL 216 Ca -0.07 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3ia2 s VAL 216 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 3ia2 s VAL 216 CO -0.02 0.41 -0.24 -0.63 0.00 0.00 0.00 175.10 174.63 3ia2 s ILE 217 N 1.29 1.94 -0.08 2.22 1.01 -0.40 -0.27 121.20 126.92 3ia2 s ILE 217 Ca 0.04 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 3ia2 s ILE 217 Cb -0.15 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.72 3ia2 s ILE 217 CO 0.00 0.54 0.41 -2.28 0.00 0.00 0.00 174.94 173.61 3ia2 s HIS 218 N -0.14 -0.36 -0.05 3.97 2.46 -0.92 -0.86 115.29 119.38 3ia2 s HIS 218 Ca -0.03 0.73 -0.19 0.00 0.47 0.00 0.00 55.06 56.04 3ia2 s HIS 218 Cb -0.13 0.17 -0.05 0.00 -0.13 0.00 0.00 32.58 32.44 3ia2 s HIS 218 CO 0.03 -0.36 0.53 0.20 -2.47 0.00 0.00 174.74 172.67 3ia2 s GLY 219 N -0.71 2.51 -0.01 1.59 0.00 -1.26 -1.35 107.32 108.09 3ia2 s GLY 219 Ca -0.08 -0.08 0.07 0.00 0.00 0.00 0.00 44.72 44.62 3ia2 s GLY 219 CO 0.04 0.71 1.13 2.09 0.00 0.00 0.00 173.10 177.07 3ia2 n ASP 220 N 3.05 1.34 -0.68 1.64 5.68 -1.11 -2.51 116.55 123.95 3ia2 n ASP 220 Ca -0.08 -2.03 0.06 0.00 -0.50 0.00 0.00 54.79 52.24 3ia2 n ASP 220 Cb 0.51 -0.20 0.17 0.00 -1.14 0.00 0.00 41.12 40.47 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 0.78 2.96 3.62 6.12 0.00 -0.54 -4.71 105.19 113.41 3ia2 n GLY 221 Ca 0.08 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.14 5.88 0.00 1.61 -1.08 -1.04 -4.55 116.67 116.35 3ia2 s ASP 222 Ca 0.26 1.90 0.27 0.00 -0.52 0.00 0.00 52.55 54.46 3ia2 s ASP 222 Cb 0.15 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.88 3ia2 s ASP 222 CO 0.15 -1.62 1.59 0.00 0.52 0.00 0.00 175.17 175.81 3ia2 n GLN 223 N 8.28 0.50 -0.10 4.34 6.02 -1.26 -4.42 117.38 130.74 3ia2 n GLN 223 Ca 0.25 -0.26 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 3ia2 n GLN 223 Cb 0.45 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.02 1.36 -3.93 5.09 2.08 -1.26 -4.88 119.36 116.79 3ia2 n ILE 224 Ca 0.10 -0.12 -0.33 0.00 0.56 0.00 0.00 62.75 62.96 3ia2 n ILE 224 Cb 0.33 -1.99 -0.14 0.00 -0.75 0.00 0.00 39.64 37.10 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 -2.57 2.72 -0.02 1.39 1.01 -1.26 -5.07 120.40 116.60 3ia2 s VAL 225 Ca -0.29 -2.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.38 3ia2 s VAL 225 Cb 0.09 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3ia2 s VAL 225 CO 0.39 -0.48 2.04 -2.65 0.00 0.00 0.00 175.10 174.40 3ia2 n PRO 226 N 4.45 2.67 -0.22 2.72 -0.02 -1.26 -4.81 135.00 138.53 3ia2 n PRO 226 Ca -0.03 0.94 0.02 0.00 -2.02 0.00 0.00 63.50 62.41 3ia2 n PRO 226 Cb 0.42 -3.07 0.13 0.00 -0.02 0.00 0.00 33.50 30.96 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 11.69 0.37 -0.19 6.00 3.04 -1.82 -2.36 116.94 133.68 3ia2 h PHE 227 Ca -0.48 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.55 3ia2 h PHE 227 Cb 1.24 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 3ia2 h PHE 227 CO 0.96 0.05 0.13 0.93 -2.02 0.00 0.00 178.31 178.35 3ia2 h GLU 228 N 0.37 0.06 -0.01 1.11 4.39 -1.95 -1.69 114.58 116.86 3ia2 h GLU 228 Ca 0.35 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3ia2 h GLU 228 Cb 0.49 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3ia2 h GLU 228 CO -0.37 0.04 0.00 0.25 -1.16 0.00 0.00 179.01 177.77 3ia2 n THR 229 N -4.49 0.01 0.00 1.13 -2.24 -1.06 -4.44 114.28 103.19 3ia2 n THR 229 Ca 0.01 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3ia2 n THR 229 Cb 0.23 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 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 0.48 0.00 -0.29 4.28 -2.24 -0.91 -4.61 114.28 110.98 3ia2 n THR 230 Ca 0.05 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.93 3ia2 n THR 230 Cb 0.22 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.15 0.78 3.38 0.00 -1.59 0.15 103.07 106.93 3ia2 h GLY 231 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.44 3ia2 h GLY 231 CO 0.00 -0.37 0.58 1.70 0.00 0.00 0.00 176.54 178.45 3ia2 h LYS 232 N 0.13 1.05 0.10 4.80 3.64 -1.58 -2.01 116.57 122.69 3ia2 h LYS 232 Ca 0.51 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.58 3ia2 h LYS 232 Cb 0.99 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3ia2 h LYS 232 CO -0.71 0.69 -1.01 0.28 -2.27 0.00 0.00 179.45 176.43 3ia2 h VAL 233 N 1.08 1.36 -0.71 2.00 2.07 -1.02 -3.26 116.25 117.76 3ia2 h VAL 233 Ca 0.39 -2.38 0.09 0.00 0.82 0.00 0.00 66.70 65.61 3ia2 h VAL 233 Cb 0.12 2.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.59 3ia2 h VAL 233 CO -0.16 0.71 0.37 0.00 0.02 0.00 0.00 177.57 178.51 3ia2 h ALA 234 N 0.25 0.98 0.00 1.67 0.00 -0.81 -0.29 119.26 121.07 3ia2 h ALA 234 Ca -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ia2 h ALA 234 Cb 1.72 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ia2 h ALA 234 CO 0.19 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.32 3ia2 h ALA 235 N 1.42 1.78 0.21 0.00 0.00 -1.45 -1.40 119.26 119.82 3ia2 h ALA 235 Ca 0.35 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.84 3ia2 h ALA 235 Cb 0.34 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.13 3ia2 h ALA 235 CO -0.25 0.13 -1.48 0.93 0.00 0.00 0.00 179.25 178.58 3ia2 h GLU 236 N 0.00 0.44 0.00 0.00 4.39 -1.27 -3.36 114.58 114.78 3ia2 h GLU 236 Ca -0.00 -0.76 -0.11 0.00 0.34 0.00 0.00 59.36 58.83 3ia2 h GLU 236 Cb 0.19 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3ia2 h GLU 236 CO 0.01 1.35 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.62 3ia2 h LEU 237 N 0.12 0.00 -8.92 1.33 3.38 -0.69 -3.42 115.31 107.11 3ia2 h LEU 237 Ca -0.24 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.11 3ia2 h LEU 237 Cb 2.11 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.74 3ia2 h LEU 237 CO 0.24 0.52 0.16 -0.63 0.09 0.00 0.00 178.44 178.82 3ia2 s ILE 238 N -3.26 4.94 0.07 1.22 1.01 -0.56 -4.60 121.20 120.02 3ia2 s ILE 238 Ca 0.01 0.94 -0.32 0.00 0.00 0.00 0.00 60.65 61.29 3ia2 s ILE 238 Cb 0.10 -3.99 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 3ia2 s ILE 238 CO 0.73 -0.10 1.86 1.17 0.00 0.00 0.00 174.94 178.60 3ia2 n LYS 239 N 5.85 2.67 -0.94 2.79 4.81 -1.26 -1.98 118.16 130.09 3ia2 n LYS 239 Ca -0.01 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 3ia2 n LYS 239 Cb 0.49 -2.87 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 4.28 0.89 3.77 3.14 0.00 -1.26 -4.86 105.19 111.14 3ia2 n GLY 240 Ca 0.19 0.00 -0.40 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 -3.53 3.41 -0.07 4.61 0.00 -0.84 -4.64 121.76 120.71 3ia2 s ALA 241 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 3ia2 s ALA 241 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3ia2 s ALA 241 CO 0.00 -0.89 0.17 -2.00 0.00 0.00 0.00 175.76 173.04 3ia2 s GLU 242 N -2.10 3.45 -0.11 0.00 2.12 0.39 -4.94 118.70 117.51 3ia2 s GLU 242 Ca 0.54 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.70 3ia2 s GLU 242 Cb -0.42 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 30.83 3ia2 s GLU 242 CO 0.55 0.73 -0.21 -1.17 -0.54 0.00 0.00 175.26 174.62 3ia2 s LEU 243 N -1.44 2.00 -0.12 2.70 2.96 -1.26 0.25 118.68 123.76 3ia2 s LEU 243 Ca 0.21 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 3ia2 s LEU 243 Cb -0.12 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.25 3ia2 s LEU 243 CO 0.11 0.10 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.50 3ia2 s LYS 244 N 0.66 2.65 -0.24 1.98 1.02 0.63 -4.97 119.74 121.46 3ia2 s LYS 244 Ca -0.12 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.10 3ia2 s LYS 244 Cb -0.16 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 3ia2 s LYS 244 CO 0.03 -0.02 -0.00 0.08 -0.92 0.00 0.00 175.35 174.51 3ia2 s VAL 245 N 0.86 3.61 -0.37 3.17 1.01 -1.26 -2.17 120.40 125.25 3ia2 s VAL 245 Ca -0.08 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 3ia2 s VAL 245 Cb -0.15 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.53 3ia2 s VAL 245 CO -0.01 0.32 1.01 -0.31 0.00 0.00 0.00 175.10 176.11 3ia2 s TYR 246 N 1.49 3.06 0.06 5.22 1.51 -0.45 -4.95 117.35 123.30 3ia2 s TYR 246 Ca 0.05 0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 56.72 3ia2 s TYR 246 Cb -0.15 -3.79 -0.09 0.00 -0.11 0.00 0.00 41.96 37.82 3ia2 s TYR 246 CO -0.01 -0.87 1.87 0.21 -1.11 0.00 0.00 175.55 175.63 3ia2 s LYS 247 N 3.69 4.15 0.00 -0.62 2.20 -1.26 -2.19 119.74 125.71 3ia2 s LYS 247 Ca 0.42 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 3ia2 s LYS 247 Cb -0.11 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 3ia2 s LYS 247 CO 0.20 -0.89 0.00 -0.25 -0.36 0.00 0.00 175.35 174.04 3ia2 n ASP 248 N 6.71 -1.47 -4.75 1.43 8.00 -1.26 -4.91 116.55 120.29 3ia2 n ASP 248 Ca 0.19 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.31 3ia2 n ASP 248 Cb 0.40 -1.96 0.04 0.00 -0.02 0.00 0.00 41.12 39.58 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 -1.76 2.64 0.87 2.24 0.00 -0.93 -4.27 121.76 120.55 3ia2 s ALA 249 Ca 0.00 1.16 -0.07 0.00 0.00 0.00 0.00 51.96 53.05 3ia2 s ALA 249 Cb 0.00 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.73 3ia2 s ALA 249 CO 0.00 -1.29 0.72 -0.35 0.00 0.00 0.00 175.76 174.84 3ia2 n PRO 250 N -1.37 -0.46 -0.08 0.00 -0.04 -1.26 -1.47 135.00 130.31 3ia2 n PRO 250 Ca 0.12 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 3ia2 n PRO 250 Cb 0.48 -0.68 -0.04 0.00 -0.04 0.00 0.00 33.50 33.22 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 -1.15 0.45 -0.35 0.54 -0.00 -1.79 -3.30 115.15 109.55 3ia2 h HIS 251 Ca -0.24 -0.06 -0.41 0.00 -0.00 0.00 0.00 60.37 59.66 3ia2 h HIS 251 Cb 0.71 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.91 3ia2 h HIS 251 CO 0.00 0.54 0.88 0.41 -0.00 0.00 0.00 177.93 179.76 3ia2 n GLY 252 N -0.46 3.76 0.00 5.26 0.00 -0.03 -4.62 105.19 109.10 3ia2 n GLY 252 Ca -0.03 -1.50 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 2.27 0.00 0.29 1.61 1.16 -1.24 -2.28 117.46 119.26 3ia2 n PHE 253 Ca 0.53 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 56.28 3ia2 n PHE 253 Cb 0.64 -0.36 0.81 0.00 -1.61 0.00 0.00 39.48 38.97 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 3.22 1.07 0.00 1.98 0.00 -1.87 0.23 119.26 123.89 3ia2 h ALA 254 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3ia2 h ALA 254 Cb 0.34 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ia2 h ALA 254 CO 0.00 0.06 -1.07 0.28 0.00 0.00 0.00 179.25 178.53 3ia2 n VAL 255 N -3.25 1.50 0.13 0.00 0.31 -0.97 -3.64 118.33 112.42 3ia2 n VAL 255 Ca -0.01 0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 3ia2 n VAL 255 Cb 0.24 -2.16 0.15 0.00 -0.91 0.00 0.00 33.84 31.16 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 1.39 -0.63 2.52 1.35 -1.51 -3.24 112.91 111.79 3ia2 h THR 256 Ca -0.25 -2.22 -0.45 0.00 -0.55 0.00 0.00 66.41 62.94 3ia2 h THR 256 Cb 1.05 2.22 -0.40 0.00 -1.73 0.00 0.00 68.15 69.30 3ia2 h THR 256 CO -0.15 0.62 -0.86 1.41 -0.25 0.00 0.00 175.52 176.30 3ia2 n HIS 257 N -3.69 2.26 -0.08 4.73 -0.00 0.81 -4.90 115.22 114.34 3ia2 n HIS 257 Ca -0.01 -2.13 -0.06 0.00 -0.00 0.00 0.00 57.72 55.52 3ia2 n HIS 257 Cb 0.65 -0.31 -0.00 0.00 -0.00 0.00 0.00 29.99 30.32 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 2.16 0.18 -0.50 -1.41 0.00 -1.59 -1.33 119.26 116.77 3ia2 h ALA 258 Ca 0.25 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3ia2 h ALA 258 Cb 1.46 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3ia2 h ALA 258 CO 0.60 -0.48 0.08 0.37 0.00 0.00 0.00 179.25 179.81 3ia2 h GLN 259 N -0.02 0.84 -0.62 0.00 4.15 -1.90 0.01 115.11 117.56 3ia2 h GLN 259 Ca 0.15 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 3ia2 h GLN 259 Cb 0.26 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3ia2 h GLN 259 CO -0.33 0.84 0.36 0.37 -1.93 0.00 0.00 178.83 178.13 3ia2 h GLN 260 N 0.72 0.85 -0.20 1.69 4.15 -1.91 -1.70 115.11 118.71 3ia2 h GLN 260 Ca 0.15 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 3ia2 h GLN 260 Cb 0.41 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3ia2 h GLN 260 CO 0.01 0.63 0.09 1.25 -1.93 0.00 0.00 178.83 178.88 3ia2 h LEU 261 N 0.85 0.27 -0.42 -2.39 5.85 -0.96 -1.30 115.31 117.20 3ia2 h LEU 261 Ca 0.22 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3ia2 h LEU 261 Cb 0.00 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3ia2 h LEU 261 CO -0.04 0.32 -0.03 0.78 -0.34 0.00 0.00 178.44 179.14 3ia2 h ASN 262 N 0.19 -0.24 -0.40 1.25 2.35 -0.71 0.15 115.58 118.18 3ia2 h ASN 262 Ca 0.07 0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3ia2 h ASN 262 Cb 0.13 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 3ia2 h ASN 262 CO -0.01 -0.08 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.23 3ia2 h GLU 263 N 0.07 0.86 -0.43 0.81 5.08 -1.21 -2.02 114.58 117.75 3ia2 h GLU 263 Ca 0.21 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3ia2 h GLU 263 Cb 0.30 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3ia2 h GLU 263 CO -0.37 0.94 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.04 3ia2 h ASP 264 N 0.77 0.76 -0.35 1.42 3.32 -0.65 -1.07 116.42 120.62 3ia2 h ASP 264 Ca 0.12 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3ia2 h ASP 264 Cb 0.65 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3ia2 h ASP 264 CO 0.05 0.89 0.02 -0.07 -1.72 0.00 0.00 179.24 178.41 3ia2 h LEU 265 N 0.70 0.60 -0.52 1.55 3.38 -0.78 -1.69 115.31 118.54 3ia2 h LEU 265 Ca 0.12 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3ia2 h LEU 265 Cb 0.58 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ia2 h LEU 265 CO 0.04 0.74 0.27 0.25 0.09 0.00 0.00 178.44 179.82 3ia2 h LEU 266 N 0.43 0.67 -1.16 1.67 5.85 -1.21 -1.15 115.31 120.41 3ia2 h LEU 266 Ca 0.10 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ia2 h LEU 266 Cb 0.42 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ia2 h LEU 266 CO 0.01 0.60 0.21 0.00 -0.34 0.00 0.00 178.44 178.92 3ia2 h ALA 267 N 1.10 1.34 -0.42 1.25 0.00 -1.13 -1.10 119.26 120.30 3ia2 h ALA 267 Ca 0.18 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3ia2 h ALA 267 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ia2 h ALA 267 CO -0.03 0.49 -0.14 0.35 0.00 0.00 0.00 179.25 179.92 3ia2 h PHE 268 N 0.79 0.96 0.00 0.00 3.57 -0.90 -2.69 116.94 118.66 3ia2 h PHE 268 Ca 0.19 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3ia2 h PHE 268 Cb 0.17 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3ia2 h PHE 268 CO 0.01 0.97 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.71 3ia2 h LEU 269 N 0.67 0.00 -0.72 0.59 3.38 -0.70 -3.02 115.31 115.50 3ia2 h LEU 269 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ia2 h LEU 269 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ia2 h LEU 269 CO 0.05 0.29 -0.21 0.29 0.09 0.00 0.00 178.44 178.95 3ia2 n LYS 270 N -3.94 1.14 0.00 1.13 5.02 -0.46 -5.10 118.16 115.94 3ia2 n LYS 270 Ca -0.02 -0.72 0.12 0.00 -2.02 0.00 0.00 58.31 55.67 3ia2 n LYS 270 Cb 0.36 -1.49 0.69 0.00 -0.02 0.00 0.00 35.03 34.57 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77