#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 0.15 0.09 0.44 -4.23 -1.26 -0.75 115.64 110.08 3ia2 s THR 2 Ca 0.00 -1.23 0.01 0.00 -1.18 0.00 0.00 61.69 59.29 3ia2 s THR 2 Cb 0.00 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 3ia2 s THR 2 CO 0.00 -0.68 -0.06 0.72 -0.54 0.00 0.00 174.62 174.06 3ia2 s PHE 3 N -2.52 0.83 -0.24 3.99 -0.12 -0.77 -4.97 117.98 114.18 3ia2 s PHE 3 Ca -0.06 -0.90 -0.07 0.00 -0.05 0.00 0.00 56.93 55.84 3ia2 s PHE 3 Cb -0.02 -0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 41.85 3ia2 s PHE 3 CO -0.05 -0.17 0.07 0.08 -0.05 0.00 0.00 175.22 175.10 3ia2 s VAL 4 N -3.50 4.39 0.97 -2.49 1.01 -1.26 -0.57 120.40 118.95 3ia2 s VAL 4 Ca 0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3ia2 s VAL 4 Cb 0.04 -3.04 0.17 0.00 0.00 0.00 0.00 36.38 33.55 3ia2 s VAL 4 CO -0.05 0.35 1.09 0.00 0.00 0.00 0.00 175.10 176.48 3ia2 s ALA 5 N 1.49 1.03 0.31 5.51 0.00 0.75 -4.85 121.76 126.00 3ia2 s ALA 5 Ca 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3ia2 s ALA 5 Cb -0.15 -3.19 0.73 0.00 0.00 0.00 0.00 23.12 20.51 3ia2 s ALA 5 CO 0.04 -2.77 1.82 -0.22 0.00 0.00 0.00 175.76 174.63 3ia2 h LYS 6 N -1.85 0.77 -0.07 0.00 3.64 -1.96 0.16 116.57 117.25 3ia2 h LYS 6 Ca -0.53 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3ia2 h LYS 6 Cb 1.31 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3ia2 h LYS 6 CO 0.54 0.51 0.00 -0.40 -2.27 0.00 0.00 179.45 177.83 3ia2 n ASP 7 N -4.67 0.86 0.00 4.20 5.68 -1.26 -4.88 116.55 116.48 3ia2 n ASP 7 Ca 0.21 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 3ia2 n ASP 7 Cb 0.50 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3ia2 n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ia2 n GLY 8 N 0.99 0.32 3.67 6.12 0.00 0.04 -5.05 105.19 111.28 3ia2 n GLY 8 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 3.57 -0.17 2.61 2.01 -1.26 -4.68 115.64 115.72 3ia2 s THR 9 Ca 0.00 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.52 3ia2 s THR 9 Cb 0.00 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 3ia2 s THR 9 CO 0.00 -0.05 1.01 -1.58 -0.69 0.00 0.00 174.62 173.32 3ia2 s GLN 10 N 3.43 4.33 -0.19 4.92 0.74 -1.26 -0.18 119.66 131.45 3ia2 s GLN 10 Ca 0.70 1.35 -0.04 0.00 0.05 0.00 0.00 55.36 57.42 3ia2 s GLN 10 Cb -0.33 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.16 3ia2 s GLN 10 CO 0.28 -0.48 -0.02 0.42 -0.55 0.00 0.00 175.29 174.94 3ia2 s ILE 11 N 2.63 3.78 0.19 -2.34 -1.09 0.26 -0.92 121.20 123.72 3ia2 s ILE 11 Ca 0.45 -0.37 -0.25 0.00 -2.23 0.00 0.00 60.65 58.25 3ia2 s ILE 11 Cb -0.16 -2.70 -0.08 0.00 -1.58 0.00 0.00 42.46 37.93 3ia2 s ILE 11 CO 0.12 0.44 0.79 -0.47 -1.23 0.00 0.00 174.94 174.59 3ia2 s TYR 12 N 0.96 3.86 0.14 3.97 5.04 -1.26 -1.86 117.35 128.20 3ia2 s TYR 12 Ca 0.01 1.63 -0.13 0.00 -2.44 0.00 0.00 57.07 56.14 3ia2 s TYR 12 Cb -0.14 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.41 3ia2 s TYR 12 CO 0.01 0.46 0.34 -0.59 -1.34 0.00 0.00 175.55 174.43 3ia2 s PHE 13 N -1.25 0.03 -0.04 4.97 -0.71 0.07 -0.67 117.98 120.40 3ia2 s PHE 13 Ca 0.38 -0.40 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 3ia2 s PHE 13 Cb -0.22 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.70 3ia2 s PHE 13 CO 0.26 -0.70 -0.20 0.15 -1.34 0.00 0.00 175.22 173.39 3ia2 s LYS 14 N -3.87 2.34 -0.28 1.99 1.02 0.37 -1.30 119.74 120.01 3ia2 s LYS 14 Ca 0.08 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 55.25 3ia2 s LYS 14 Cb 0.02 -2.22 0.09 0.00 -0.52 0.00 0.00 37.83 35.20 3ia2 s LYS 14 CO -0.08 0.58 0.07 0.34 -0.92 0.00 0.00 175.35 175.34 3ia2 s ASP 15 N -0.65 3.89 -0.01 2.83 -1.08 -1.26 -1.64 116.67 118.75 3ia2 s ASP 15 Ca 0.10 -1.49 0.05 0.00 -0.52 0.00 0.00 52.55 50.69 3ia2 s ASP 15 Cb -0.10 -0.92 -0.03 0.00 -1.46 0.00 0.00 42.92 40.41 3ia2 s ASP 15 CO -0.00 -0.37 -0.15 0.26 0.52 0.00 0.00 175.17 175.43 3ia2 s TRP 16 N 1.57 2.67 0.00 -5.34 0.51 0.43 -4.99 118.94 113.80 3ia2 s TRP 16 Ca 0.06 -0.18 0.00 0.00 -2.12 0.00 0.00 56.10 53.86 3ia2 s TRP 16 Cb -0.18 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.91 3ia2 s TRP 16 CO -0.19 0.23 0.00 0.41 -0.51 0.00 0.00 176.95 176.89 3ia2 n GLY 17 N 1.97 -1.69 3.13 0.98 0.00 -1.26 -0.69 105.19 107.62 3ia2 n GLY 17 Ca -0.17 -1.28 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 -4.69 113.70 106.80 3ia2 s SER 18 Ca 0.00 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.36 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 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3ia2 n GLY 19 N 0.01 0.21 3.76 7.32 0.00 -1.26 -2.93 105.19 112.29 3ia2 n GLY 19 Ca -0.10 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 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 4.18 0.20 1.61 1.02 -1.26 -4.10 119.74 121.39 3ia2 s LYS 20 Ca 0.00 2.47 -0.25 0.00 0.02 0.00 0.00 55.97 58.21 3ia2 s LYS 20 Cb 0.00 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.19 3ia2 s LYS 20 CO 0.00 -0.51 0.80 -1.25 -0.92 0.00 0.00 175.35 173.47 3ia2 s PRO 21 N -0.99 4.55 -0.15 -1.68 0.04 -1.26 -1.65 135.00 133.86 3ia2 s PRO 21 Ca 0.58 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.79 3ia2 s PRO 21 Cb -0.45 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 30.96 3ia2 s PRO 21 CO 0.51 0.51 -0.15 0.08 0.04 0.00 0.00 177.00 177.99 3ia2 s VAL 22 N -1.26 1.60 -0.19 -0.36 1.01 0.11 -1.58 120.40 119.73 3ia2 s VAL 22 Ca 0.39 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3ia2 s VAL 22 Cb -0.22 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 3ia2 s VAL 22 CO 0.26 0.46 -0.05 -0.22 0.00 0.00 0.00 175.10 175.55 3ia2 s LEU 23 N 1.43 2.95 -0.13 3.92 0.20 -0.32 -0.68 118.68 126.05 3ia2 s LEU 23 Ca 0.04 -0.32 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 3ia2 s LEU 23 Cb -0.13 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.86 3ia2 s LEU 23 CO -0.10 0.05 0.04 -0.36 -0.29 0.00 0.00 176.35 175.69 3ia2 s PHE 24 N 1.06 3.26 -0.23 5.38 0.40 0.41 -0.94 117.98 127.33 3ia2 s PHE 24 Ca 0.01 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 3ia2 s PHE 24 Cb -0.15 -1.92 0.05 0.00 0.51 0.00 0.00 43.02 41.51 3ia2 s PHE 24 CO -0.00 0.39 -0.14 0.45 0.70 0.00 0.00 175.22 176.61 3ia2 s SER 25 N -0.43 4.01 0.86 1.36 0.15 0.72 -3.86 113.70 116.51 3ia2 s SER 25 Ca 0.09 -1.15 -0.12 0.00 0.70 0.00 0.00 55.95 55.47 3ia2 s SER 25 Cb -0.12 -1.52 0.11 0.00 -1.71 0.00 0.00 66.02 62.78 3ia2 s SER 25 CO 0.02 -0.13 1.12 -1.38 1.20 0.00 0.00 173.24 174.07 3ia2 s HIS 26 N 1.17 2.64 0.39 3.44 -3.43 -1.26 -1.47 115.29 116.76 3ia2 s HIS 26 Ca -0.04 0.99 -0.03 0.00 -0.80 0.00 0.00 55.06 55.18 3ia2 s HIS 26 Cb -0.18 -3.27 0.08 0.00 -1.43 0.00 0.00 32.58 27.78 3ia2 s HIS 26 CO -0.08 -2.13 0.53 0.41 -2.00 0.00 0.00 174.74 171.48 3ia2 n GLY 27 N -2.13 0.07 3.77 -1.38 0.00 -1.20 -3.31 105.19 101.00 3ia2 n GLY 27 Ca 0.07 -1.90 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.70 2.69 0.00 1.61 -0.00 -1.26 -3.24 118.94 117.05 3ia2 s TRP 28 Ca 0.33 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 3ia2 s TRP 28 Cb -0.02 -3.86 0.00 0.00 -0.00 0.00 0.00 33.47 29.59 3ia2 s TRP 28 CO 0.23 -2.58 0.00 1.28 -0.00 0.00 0.00 176.95 175.87 3ia2 n LEU 29 N 0.30 0.00 0.00 5.86 4.77 -1.26 -4.95 117.00 121.72 3ia2 n LEU 29 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3ia2 n LEU 29 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ia2 n LEU 29 CO 0.60 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.84 3ia2 n LEU 30 N 0.00 0.00 0.00 2.23 4.77 -1.20 -3.35 117.00 119.45 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 -0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 3ia2 n ASP 31 N -0.03 0.00 0.30 -1.43 5.68 -1.26 -4.39 116.55 115.41 3ia2 n ASP 31 Ca 0.00 -0.61 0.19 0.00 -0.50 0.00 0.00 54.79 53.86 3ia2 n ASP 31 Cb 0.00 0.00 1.00 0.00 -1.14 0.00 0.00 41.12 40.98 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 1.83 1.37 0.00 2.12 0.00 -1.90 -1.70 119.26 120.98 3ia2 h ALA 32 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 -0.11 -0.00 -0.44 0.00 0.00 0.00 179.25 178.70 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 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3ia2 h ASP 33 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 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 -0.03 3.56 -0.00 -1.72 -2.34 114.93 114.40 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 3ia2 h MET 34 CO 0.00 0.00 -0.09 0.91 -0.00 0.00 0.00 176.91 177.73 3ia2 n TRP 35 N -2.87 0.00 -0.35 -0.10 7.02 -0.82 -4.66 117.44 115.66 3ia2 n TRP 35 Ca -0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.60 3ia2 n TRP 35 Cb 0.14 -0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.36 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 4.02 0.72 -0.12 -0.99 4.11 -1.55 0.04 114.58 120.81 3ia2 h GLU 36 Ca 0.00 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.19 3ia2 h GLU 36 Cb 0.90 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3ia2 h GLU 36 CO 0.00 0.47 -0.74 1.88 0.07 0.00 0.00 179.01 180.69 3ia2 h TYR 37 N 0.74 0.80 -0.38 2.06 0.05 -1.84 -1.80 116.97 116.59 3ia2 h TYR 37 Ca 0.58 -0.35 -0.13 0.00 0.05 0.00 0.00 58.73 58.88 3ia2 h TYR 37 Cb 0.93 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 3ia2 h TYR 37 CO -0.00 1.14 -0.29 1.96 -1.05 0.00 0.00 178.16 179.92 3ia2 h GLN 38 N 0.41 0.82 -0.09 4.88 7.50 -1.53 -1.72 115.11 125.38 3ia2 h GLN 38 Ca -0.04 -0.37 -0.01 0.00 0.50 0.00 0.00 58.65 58.73 3ia2 h GLN 38 Cb 1.34 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 28.85 3ia2 h GLN 38 CO 0.14 1.00 0.02 0.52 -1.50 0.00 0.00 178.83 179.02 3ia2 h MET 39 N 0.70 0.14 -0.74 1.46 2.86 -1.01 -1.31 114.93 117.02 3ia2 h MET 39 Ca 0.08 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3ia2 h MET 39 Cb 0.83 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3ia2 h MET 39 CO 0.07 0.31 0.37 1.49 1.06 0.00 0.00 176.91 180.21 3ia2 h GLU 40 N -0.06 1.06 -0.16 1.72 4.22 -1.34 0.12 114.58 120.15 3ia2 h GLU 40 Ca 0.03 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.33 3ia2 h GLU 40 Cb 0.23 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ia2 h GLU 40 CO -0.00 0.82 0.09 -0.92 -2.18 0.00 0.00 179.01 176.82 3ia2 h TYR 41 N 1.04 0.17 0.09 0.92 3.20 -1.20 -2.16 116.97 119.03 3ia2 h TYR 41 Ca 0.26 0.01 -0.28 0.00 3.14 0.00 0.00 58.73 61.85 3ia2 h TYR 41 Cb 0.10 -0.06 0.02 0.00 1.54 0.00 0.00 36.73 38.33 3ia2 h TYR 41 CO 0.01 0.11 -1.17 -0.07 -1.64 0.00 0.00 178.16 175.39 3ia2 h LEU 42 N 0.19 0.78 -1.08 2.82 3.38 -1.07 -3.22 115.31 117.11 3ia2 h LEU 42 Ca 0.06 -0.70 -0.05 0.00 0.09 0.00 0.00 57.88 57.28 3ia2 h LEU 42 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3ia2 h LEU 42 CO -0.03 1.51 -0.24 0.28 0.09 0.00 0.00 178.44 180.05 3ia2 h SER 43 N 0.26 0.00 0.15 -0.43 0.02 -0.99 -0.85 113.55 111.72 3ia2 h SER 43 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 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 0.22 0.24 -0.02 -1.54 -1.14 0.00 0.00 176.83 174.59 3ia2 n SER 44 N -3.41 0.31 -0.72 3.07 3.41 -0.81 -3.64 113.62 111.82 3ia2 n SER 44 Ca 0.00 -0.87 0.06 0.00 -0.26 0.00 0.00 58.87 57.80 3ia2 n SER 44 Cb 0.44 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.86 1.29 -0.31 4.33 1.74 -0.37 -4.98 116.66 117.49 3ia2 n ARG 45 Ca 0.20 -3.02 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3ia2 n ARG 45 Cb 0.20 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.85 0.83 3.50 -0.13 0.00 -1.12 -5.01 105.19 102.41 3ia2 n GLY 46 Ca 0.16 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 2.47 -0.18 1.61 2.02 -0.90 -4.30 117.35 116.07 3ia2 s TYR 47 Ca 0.00 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.26 3ia2 s TYR 47 Cb 0.00 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 3ia2 s TYR 47 CO 0.00 0.51 0.35 0.50 -1.57 0.00 0.00 175.55 175.34 3ia2 s ARG 48 N -2.78 4.23 -0.06 -0.62 3.52 -0.66 -3.78 118.95 118.80 3ia2 s ARG 48 Ca 0.23 0.17 0.04 0.00 -0.13 0.00 0.00 55.73 56.04 3ia2 s ARG 48 Cb -0.08 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3ia2 s ARG 48 CO 0.13 0.11 -0.19 0.95 -0.81 0.00 0.00 175.30 175.48 3ia2 s THR 49 N 0.86 2.58 -0.03 4.11 -4.23 0.13 0.08 115.64 119.14 3ia2 s THR 49 Ca 0.18 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.84 3ia2 s THR 49 Cb -0.14 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.71 3ia2 s THR 49 CO 0.06 0.57 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.96 3ia2 s ILE 50 N -0.32 1.03 -0.12 2.99 1.09 0.14 -0.43 121.20 125.58 3ia2 s ILE 50 Ca 0.02 -0.51 -0.07 0.00 -1.10 0.00 0.00 60.65 58.99 3ia2 s ILE 50 Cb -0.13 -0.89 0.05 0.00 -1.06 0.00 0.00 42.46 40.43 3ia2 s ILE 50 CO 0.02 0.30 0.29 0.00 -0.10 0.00 0.00 174.94 175.46 3ia2 s ALA 51 N 0.04 -0.71 0.23 9.38 0.00 -0.65 -0.44 121.76 129.61 3ia2 s ALA 51 Ca -0.01 1.09 0.10 0.00 0.00 0.00 0.00 51.96 53.13 3ia2 s ALA 51 Cb -0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 3ia2 s ALA 51 CO 0.01 -0.20 -0.06 -0.59 0.00 0.00 0.00 175.76 174.91 3ia2 s PHE 52 N 1.06 2.62 -0.27 0.00 -0.71 -1.25 -0.48 117.98 118.96 3ia2 s PHE 52 Ca -0.07 -0.23 -0.19 0.00 -1.04 0.00 0.00 56.93 55.39 3ia2 s PHE 52 Cb -0.08 -1.21 -0.02 0.00 -1.21 0.00 0.00 43.02 40.50 3ia2 s PHE 52 CO -0.08 0.59 0.56 -0.51 -1.34 0.00 0.00 175.22 174.44 3ia2 s ASP 53 N -3.32 6.48 0.46 1.98 1.01 0.15 -3.89 116.67 119.54 3ia2 s ASP 53 Ca 0.29 0.56 -0.24 0.00 0.71 0.00 0.00 52.55 53.86 3ia2 s ASP 53 Cb -0.07 -2.30 -0.09 0.00 1.01 0.00 0.00 42.92 41.47 3ia2 s ASP 53 CO 0.17 -0.33 1.18 -1.14 0.21 0.00 0.00 175.17 175.26 3ia2 n ARG 54 N 5.63 1.64 -1.58 8.23 0.63 -1.26 -4.37 116.66 125.58 3ia2 n ARG 54 Ca -0.03 0.59 -0.51 0.00 -0.92 0.00 0.00 57.85 56.99 3ia2 n ARG 54 Cb 0.49 -2.29 -0.05 0.00 0.45 0.00 0.00 32.46 31.06 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 -0.17 1.07 -0.29 -0.14 1.85 -1.26 -0.53 116.66 117.19 3ia2 n ARG 55 Ca 0.08 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.32 3ia2 n ARG 55 Cb 0.41 -1.94 0.00 0.00 -1.05 0.00 0.00 32.46 29.88 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 2.21 0.93 3.28 2.89 0.00 0.02 -4.96 105.19 109.56 3ia2 n GLY 56 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3ia2 n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ia2 s PHE 57 N -2.73 1.50 0.00 1.61 0.40 0.31 -0.36 117.98 118.71 3ia2 s PHE 57 Ca 0.00 -0.59 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 3ia2 s PHE 57 Cb 0.00 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3ia2 s PHE 57 CO 0.00 0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.54 3ia2 n GLY 58 N 0.11 3.39 0.85 4.36 0.00 -1.26 -1.74 105.19 110.90 3ia2 n GLY 58 Ca -0.12 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 2.10 -2.45 1.61 1.74 -1.26 -4.65 116.66 127.75 3ia2 n ARG 59 Ca 0.00 -1.68 -0.28 0.00 -0.77 0.00 0.00 57.85 55.12 3ia2 n ARG 59 Cb 0.00 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 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 -1.36 6.18 0.98 0.55 0.01 -0.71 -4.57 113.70 114.77 3ia2 s SER 60 Ca 0.35 1.01 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 3ia2 s SER 60 Cb 0.19 -2.23 0.18 0.00 0.21 0.00 0.00 66.02 64.37 3ia2 s SER 60 CO 0.27 -0.70 1.11 -1.81 0.41 0.00 0.00 173.24 172.52 3ia2 s ASP 61 N -4.15 2.46 -0.67 2.44 1.01 -0.10 -4.52 116.67 113.14 3ia2 s ASP 61 Ca 0.50 1.93 0.05 0.00 0.71 0.00 0.00 52.55 55.74 3ia2 s ASP 61 Cb -0.10 -2.47 0.21 0.00 1.01 0.00 0.00 42.92 41.57 3ia2 s ASP 61 CO 0.47 -3.35 0.61 0.00 0.21 0.00 0.00 175.17 173.11 3ia2 n GLN 62 N -4.38 2.14 -2.16 8.23 6.02 -1.26 -0.80 117.38 125.18 3ia2 n GLN 62 Ca 0.09 -4.56 -0.37 0.00 -0.01 0.00 0.00 57.00 52.14 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 -1.93 3.61 0.22 -1.09 0.04 -1.26 -4.94 135.00 129.64 3ia2 s PRO 63 Ca 0.32 1.87 0.05 0.00 0.04 0.00 0.00 61.00 63.28 3ia2 s PRO 63 Cb 0.05 -2.36 0.19 0.00 0.04 0.00 0.00 34.50 32.42 3ia2 s PRO 63 CO -0.10 -0.70 1.51 2.35 0.04 0.00 0.00 177.00 180.11 3ia2 h TRP 64 N 1.89 0.22 -1.86 0.56 2.91 -2.01 -3.45 115.95 114.22 3ia2 h TRP 64 Ca -0.50 -0.10 -0.54 0.00 1.13 0.00 0.00 58.89 58.89 3ia2 h TRP 64 Cb 1.26 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.80 3ia2 h TRP 64 CO 0.52 0.80 -0.53 0.95 -1.03 0.00 0.00 178.44 179.15 3ia2 s THR 65 N -3.54 3.01 0.00 2.65 -4.23 -1.26 -4.72 115.64 107.56 3ia2 s THR 65 Ca -0.03 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3ia2 s THR 65 Cb 0.12 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3ia2 s THR 65 CO 0.80 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 175.32 3ia2 n GLY 66 N -1.18 0.63 2.55 3.99 0.00 -1.26 -4.97 105.19 104.96 3ia2 n GLY 66 Ca -0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 0.30 7.13 -4.02 1.61 3.02 -1.26 -4.47 115.26 117.57 3ia2 n ASN 67 Ca 0.00 -2.96 -0.09 0.00 -0.03 0.00 0.00 54.58 51.50 3ia2 n ASN 67 Cb 0.00 -1.47 -0.08 0.00 -0.61 0.00 0.00 39.78 37.62 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 1.24 0.17 0.29 6.41 1.47 -1.26 -4.59 116.67 120.39 3ia2 s ASP 68 Ca 0.54 -0.96 0.01 0.00 1.18 0.00 0.00 52.55 53.32 3ia2 s ASP 68 Cb 0.16 0.36 0.43 0.00 -0.34 0.00 0.00 42.92 43.53 3ia2 s ASP 68 CO -0.06 -0.80 1.78 1.88 0.68 0.00 0.00 175.17 178.64 3ia2 h TYR 69 N 2.71 0.67 -0.61 2.11 0.05 -1.93 -0.50 116.97 119.47 3ia2 h TYR 69 Ca -0.33 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.36 3ia2 h TYR 69 Cb 1.21 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3ia2 h TYR 69 CO 0.42 0.69 0.39 -0.44 -1.05 0.00 0.00 178.16 178.17 3ia2 h ASP 70 N 0.57 0.67 -0.31 3.88 3.32 -1.97 0.65 116.42 123.23 3ia2 h ASP 70 Ca 0.11 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 3ia2 h ASP 70 Cb 0.49 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3ia2 h ASP 70 CO 0.03 0.48 -0.14 0.74 -1.72 0.00 0.00 179.24 178.63 3ia2 h THR 71 N 0.79 1.29 -0.72 0.35 2.02 -1.72 -1.77 112.91 113.15 3ia2 h THR 71 Ca 0.23 -1.23 0.06 0.00 0.77 0.00 0.00 66.41 66.24 3ia2 h THR 71 Cb -0.05 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 3ia2 h THR 71 CO -0.07 0.40 0.41 -0.26 0.37 0.00 0.00 175.52 176.37 3ia2 h PHE 72 N 0.41 0.76 -0.74 3.16 0.04 -0.81 0.76 116.94 120.51 3ia2 h PHE 72 Ca 0.07 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3ia2 h PHE 72 Cb 0.66 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 3ia2 h PHE 72 CO 0.06 0.36 0.26 0.00 -0.60 0.00 0.00 178.31 178.39 3ia2 h ALA 73 N 1.37 0.97 -0.04 2.45 0.00 -0.74 -2.18 119.26 121.10 3ia2 h ALA 73 Ca 0.33 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 73 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ia2 h ALA 73 CO -0.19 0.63 -0.53 -0.44 0.00 0.00 0.00 179.25 178.71 3ia2 h ASP 74 N 1.09 0.12 -0.43 0.00 3.32 -0.54 -0.96 116.42 119.02 3ia2 h ASP 74 Ca 0.24 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ia2 h ASP 74 Cb 0.27 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3ia2 h ASP 74 CO -0.01 0.64 0.24 0.44 -1.72 0.00 0.00 179.24 178.83 3ia2 h ASP 75 N 0.09 0.53 -0.67 6.45 3.32 -0.57 -0.88 116.42 124.69 3ia2 h ASP 75 Ca -0.00 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3ia2 h ASP 75 Cb 0.97 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3ia2 h ASP 75 CO 0.08 0.45 0.36 0.40 -1.72 0.00 0.00 179.24 178.81 3ia2 h ILE 76 N 0.56 1.21 -0.60 0.35 2.04 -1.08 -1.61 117.51 118.39 3ia2 h ILE 76 Ca 0.15 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3ia2 h ILE 76 Cb 0.03 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 3ia2 h ILE 76 CO -0.03 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.69 3ia2 h ALA 77 N 1.18 0.78 -0.31 1.87 0.00 -0.88 -0.59 119.26 121.32 3ia2 h ALA 77 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ia2 h ALA 77 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ia2 h ALA 77 CO -0.04 0.03 0.12 0.37 0.00 0.00 0.00 179.25 179.73 3ia2 h GLN 78 N 0.64 0.47 -0.47 0.00 4.15 -0.80 -1.19 115.11 117.92 3ia2 h GLN 78 Ca 0.26 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.65 3ia2 h GLN 78 Cb 0.11 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.68 3ia2 h GLN 78 CO -0.15 0.49 0.17 1.25 -1.93 0.00 0.00 178.83 178.66 3ia2 h LEU 79 N 0.35 0.17 -0.37 -2.39 5.85 -0.80 1.04 115.31 119.17 3ia2 h LEU 79 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ia2 h LEU 79 Cb 0.20 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 3ia2 h LEU 79 CO -0.01 0.13 0.17 0.40 -0.34 0.00 0.00 178.44 178.79 3ia2 h ILE 80 N 0.34 1.17 -0.20 4.05 2.04 -0.92 -1.90 117.51 122.10 3ia2 h ILE 80 Ca 0.22 -0.51 -0.19 0.00 1.00 0.00 0.00 64.86 65.39 3ia2 h ILE 80 Cb 0.23 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3ia2 h ILE 80 CO -0.23 0.19 -0.62 -0.33 0.00 0.00 0.00 178.15 177.16 3ia2 h GLU 81 N 0.46 0.70 -0.78 2.37 5.08 -0.76 0.07 114.58 121.72 3ia2 h GLU 81 Ca 0.13 -0.48 0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3ia2 h GLU 81 Cb 0.14 0.07 -0.14 0.00 0.50 0.00 0.00 28.75 29.32 3ia2 h GLU 81 CO -0.01 1.10 -0.30 1.25 -1.00 0.00 0.00 179.01 180.05 3ia2 h HIS 82 N 0.51 -0.78 -0.02 4.33 2.76 0.13 -1.20 115.15 120.89 3ia2 h HIS 82 Ca -0.01 0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3ia2 h HIS 82 Cb 1.21 0.46 0.00 0.00 1.55 0.00 0.00 27.41 30.63 3ia2 h HIS 82 CO 0.06 -0.38 -0.02 1.28 -1.30 0.00 0.00 177.93 177.58 3ia2 n LEU 83 N -5.48 2.03 -3.81 0.26 4.77 -0.73 -4.96 117.00 109.09 3ia2 n LEU 83 Ca 0.09 -0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 55.15 3ia2 n LEU 83 Cb 0.39 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3ia2 n LEU 83 CO -0.05 0.34 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.58 3ia2 n ASP 84 N 0.56 -1.22 -4.77 -1.43 2.03 -0.14 -4.92 116.55 106.66 3ia2 n ASP 84 Ca 0.17 -0.88 -0.39 0.00 0.52 0.00 0.00 54.79 54.21 3ia2 n ASP 84 Cb 0.44 -3.71 -0.04 0.00 -0.72 0.00 0.00 41.12 37.10 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 -6.82 4.34 0.05 -2.67 1.43 -0.29 -5.02 118.68 109.70 3ia2 s LEU 85 Ca 0.07 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 3ia2 s LEU 85 Cb -0.04 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 3ia2 s LEU 85 CO 0.84 -0.36 -0.09 -0.54 0.23 0.00 0.00 176.35 176.43 3ia2 s LYS 86 N -1.98 0.60 -1.46 1.70 1.02 -1.26 -4.82 119.74 113.54 3ia2 s LYS 86 Ca 0.52 -0.84 -0.12 0.00 0.02 0.00 0.00 55.97 55.55 3ia2 s LYS 86 Cb -0.28 -0.37 0.05 0.00 -0.52 0.00 0.00 37.83 36.72 3ia2 s LYS 86 CO 0.36 0.06 1.05 0.39 -0.92 0.00 0.00 175.35 176.29 3ia2 n GLU 87 N 1.29 -6.50 -2.56 1.68 1.02 -0.65 -4.53 120.64 110.39 3ia2 n GLU 87 Ca -0.22 0.70 -0.41 0.00 -0.02 0.00 0.00 57.16 57.21 3ia2 n GLU 87 Cb 0.55 -5.66 -0.04 0.00 -0.02 0.00 0.00 31.44 26.27 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 -3.30 3.97 -0.32 2.62 1.01 0.43 -4.31 120.40 120.50 3ia2 s VAL 88 Ca 0.63 1.72 -0.12 0.00 0.00 0.00 0.00 61.98 64.20 3ia2 s VAL 88 Cb -0.30 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 3ia2 s VAL 88 CO 0.77 0.30 0.23 -0.89 0.00 0.00 0.00 175.10 175.51 3ia2 s THR 89 N -0.30 5.29 -0.09 3.92 2.01 -0.61 -0.26 115.64 125.60 3ia2 s THR 89 Ca 0.48 -0.11 -0.20 0.00 0.31 0.00 0.00 61.69 62.17 3ia2 s THR 89 Cb -0.28 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3ia2 s THR 89 CO 0.34 0.06 0.58 -0.76 -0.69 0.00 0.00 174.62 174.15 3ia2 s LEU 90 N 1.74 4.30 -0.15 4.42 1.43 -0.34 -1.17 118.68 128.90 3ia2 s LEU 90 Ca 0.06 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 3ia2 s LEU 90 Cb -0.17 -2.87 0.03 0.00 0.03 0.00 0.00 46.19 43.21 3ia2 s LEU 90 CO 0.11 -0.04 -0.09 -0.69 0.23 0.00 0.00 176.35 175.86 3ia2 s VAL 91 N 0.65 1.32 -0.05 -1.59 1.01 -0.11 0.29 120.40 121.92 3ia2 s VAL 91 Ca 0.31 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3ia2 s VAL 91 Cb -0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.86 3ia2 s VAL 91 CO 0.14 0.30 -0.23 -0.83 0.00 0.00 0.00 175.10 174.48 3ia2 s GLY 92 N 1.57 1.19 -0.11 4.51 0.00 -0.30 -0.20 107.32 113.98 3ia2 s GLY 92 Ca 0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 3ia2 s GLY 92 CO -0.09 -0.63 -0.07 -0.12 0.00 0.00 0.00 173.10 172.19 3ia2 s PHE 93 N -0.21 2.94 0.00 1.90 5.36 -0.55 -0.57 117.98 126.86 3ia2 s PHE 93 Ca -0.01 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 3ia2 s PHE 93 Cb -0.12 -1.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.75 3ia2 s PHE 93 CO 0.02 0.12 0.00 0.45 -1.46 0.00 0.00 175.22 174.36 3ia2 n SER 94 N 2.86 0.00 0.31 6.13 2.88 -0.29 -0.06 113.62 125.45 3ia2 n SER 94 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 3ia2 n SER 94 Cb 0.53 0.00 0.96 0.00 -0.75 0.00 0.00 64.21 64.95 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 -1.72 114.93 109.90 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 0.02 0.00 0.78 -0.00 0.00 0.00 176.91 177.71 3ia2 h GLY 96 N 0.85 0.00 1.86 -3.00 0.00 -0.47 -1.70 103.07 100.60 3ia2 h GLY 96 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3ia2 h GLY 96 CO 0.00 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.87 3ia2 h GLY 97 N 2.43 0.18 0.90 4.60 0.00 -1.37 -3.15 103.07 106.67 3ia2 h GLY 97 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3ia2 h GLY 97 CO 0.00 0.14 -0.02 -1.33 0.00 0.00 0.00 176.54 175.33 3ia2 h GLY 98 N 1.10 0.63 2.00 4.60 0.00 -1.45 -2.68 103.07 107.27 3ia2 h GLY 98 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 3ia2 h GLY 98 CO 0.05 0.44 -0.63 1.29 0.00 0.00 0.00 176.54 177.69 3ia2 h ASP 99 N 0.38 0.00 0.04 0.19 3.04 -1.59 -0.59 116.42 117.90 3ia2 h ASP 99 Ca 0.09 0.00 -0.19 0.00 -3.24 0.00 0.00 57.03 53.69 3ia2 h ASP 99 Cb 0.47 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.76 3ia2 h ASP 99 CO 0.02 0.63 -0.67 -0.37 -2.04 0.00 0.00 179.24 176.81 3ia2 h VAL 100 N 0.00 1.33 -0.27 4.15 -1.51 -1.62 -0.66 116.25 117.66 3ia2 h VAL 100 Ca -0.01 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.49 3ia2 h VAL 100 Cb 1.35 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.42 3ia2 h VAL 100 CO 0.08 0.61 0.09 0.00 -1.23 0.00 0.00 177.57 177.12 3ia2 h ALA 101 N 0.84 0.36 0.00 5.19 0.00 -1.37 -2.68 119.26 121.59 3ia2 h ALA 101 Ca -0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3ia2 h ALA 101 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ia2 h ALA 101 CO 0.13 -0.03 -0.32 -0.09 0.00 0.00 0.00 179.25 178.94 3ia2 h ARG 102 N 0.28 0.00 -0.19 0.00 9.65 -1.09 -0.86 114.38 122.18 3ia2 h ARG 102 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 3ia2 h ARG 102 Cb 0.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 3ia2 h ARG 102 CO -0.00 0.32 0.12 -0.92 2.80 0.00 0.00 179.97 182.28 3ia2 h TYR 103 N 0.00 0.25 -0.62 2.20 3.20 -0.94 -0.19 116.97 120.86 3ia2 h TYR 103 Ca -0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3ia2 h TYR 103 Cb 0.56 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 3ia2 h TYR 103 CO 0.00 0.18 0.14 0.82 -1.64 0.00 0.00 178.16 177.67 3ia2 h ILE 104 N 0.24 1.25 -0.81 1.81 2.04 -1.09 0.18 117.51 121.13 3ia2 h ILE 104 Ca 0.07 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3ia2 h ILE 104 Cb 0.00 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3ia2 h ILE 104 CO -0.01 0.35 0.52 0.00 0.00 0.00 0.00 178.15 179.01 3ia2 h ALA 105 N 1.04 1.03 0.07 1.87 0.00 -0.99 0.63 119.26 122.91 3ia2 h ALA 105 Ca 0.19 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.75 3ia2 h ALA 105 Cb 0.36 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ia2 h ALA 105 CO 0.00 0.46 -1.46 0.00 0.00 0.00 0.00 179.25 178.26 3ia2 h ARG 106 N 1.11 0.15 -0.00 0.00 3.08 -0.82 -3.40 114.38 114.50 3ia2 h ARG 106 Ca 0.30 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ia2 h ARG 106 Cb -0.10 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3ia2 h ARG 106 CO -0.06 0.97 -0.10 0.72 -1.07 0.00 0.00 179.97 180.43 3ia2 n HIS 107 N -3.35 0.00 -0.10 3.04 8.25 0.61 -5.09 115.22 118.58 3ia2 n HIS 107 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3ia2 n HIS 107 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 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 0.75 -2.49 0.53 -1.41 0.00 0.21 -4.71 105.19 98.07 3ia2 n GLY 108 Ca 0.01 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.84 3.04 -0.13 1.61 3.41 -1.26 -4.51 113.62 114.94 3ia2 n SER 109 Ca 0.00 -3.13 0.10 0.00 -0.26 0.00 0.00 58.87 55.58 3ia2 n SER 109 Cb 0.00 -0.50 0.44 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.92 1.89 -0.17 7.33 0.00 -1.98 -0.77 119.26 126.48 3ia2 h ALA 110 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.90 3ia2 n ARG 111 N -4.48 2.12 -4.37 0.00 1.74 -1.26 -4.73 116.66 105.67 3ia2 n ARG 111 Ca 0.10 -1.66 -0.34 0.00 -0.77 0.00 0.00 57.85 55.18 3ia2 n ARG 111 Cb 0.32 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.80 3.87 -0.10 1.55 1.01 -0.30 -0.43 120.40 124.20 3ia2 s VAL 112 Ca 0.34 -0.36 0.21 0.00 0.00 0.00 0.00 61.98 62.16 3ia2 s VAL 112 Cb 0.20 -2.70 -0.27 0.00 0.00 0.00 0.00 36.38 33.61 3ia2 s VAL 112 CO 0.30 0.49 0.44 0.00 0.00 0.00 0.00 175.10 176.33 3ia2 n ALA 113 N 3.61 2.37 -3.63 5.51 0.00 0.65 -4.77 120.51 124.25 3ia2 n ALA 113 Ca -0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 3ia2 n ALA 113 Cb 0.52 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.36 -0.02 0.00 0.00 -1.21 -4.33 107.32 96.63 3ia2 s GLY 114 Ca -0.08 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.51 3ia2 s GLY 114 CO 0.87 0.22 -0.05 -2.27 0.00 0.00 0.00 173.10 171.88 3ia2 s LEU 115 N -2.73 1.74 -0.10 0.66 2.96 -0.26 -1.20 118.68 119.75 3ia2 s LEU 115 Ca 0.12 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 3ia2 s LEU 115 Cb 0.02 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.39 3ia2 s LEU 115 CO -0.03 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 3ia2 s VAL 116 N 0.26 1.39 -0.30 1.68 1.01 0.15 -0.95 120.40 123.63 3ia2 s VAL 116 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3ia2 s VAL 116 Cb -0.07 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.08 3ia2 s VAL 116 CO -0.00 0.42 -0.01 -0.76 0.00 0.00 0.00 175.10 174.75 3ia2 s LEU 117 N 0.96 3.86 -0.27 3.92 1.43 -0.27 -1.15 118.68 127.15 3ia2 s LEU 117 Ca -0.08 -1.26 -0.07 0.00 -1.03 0.00 0.00 54.13 51.70 3ia2 s LEU 117 Cb -0.15 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3ia2 s LEU 117 CO -0.01 -0.25 0.07 -0.76 0.23 0.00 0.00 176.35 175.63 3ia2 s LEU 118 N 1.25 3.62 -1.74 1.79 1.43 0.27 -1.10 118.68 124.20 3ia2 s LEU 118 Ca -0.05 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 3ia2 s LEU 118 Cb -0.20 -1.89 0.17 0.00 0.03 0.00 0.00 46.19 44.30 3ia2 s LEU 118 CO -0.01 -0.11 0.73 0.61 0.23 0.00 0.00 176.35 177.79 3ia2 n GLY 119 N 4.89 -0.43 3.86 -3.19 0.00 -0.02 -1.13 105.19 109.18 3ia2 n GLY 119 Ca -0.15 0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3ia2 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia2 s ALA 120 N -3.31 3.27 -0.85 4.61 0.00 -1.26 -3.04 121.76 121.18 3ia2 s ALA 120 Ca 0.74 -0.09 0.23 0.00 0.00 0.00 0.00 51.96 52.84 3ia2 s ALA 120 Cb -0.41 -2.82 0.93 0.00 0.00 0.00 0.00 23.12 20.82 3ia2 s ALA 120 CO 0.95 -0.05 1.73 1.33 0.00 0.00 0.00 175.76 179.72 3ia2 n VAL 121 N -1.33 0.56 -1.95 0.00 0.24 -1.05 -4.26 118.33 110.55 3ia2 n VAL 121 Ca 0.04 0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 62.01 3ia2 n VAL 121 Cb 0.54 -0.78 0.03 0.00 -1.47 0.00 0.00 33.84 32.16 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 2.44 -0.76 3.34 -4.23 -1.26 -2.15 115.64 109.94 3ia2 s THR 122 Ca 0.10 0.32 0.25 0.00 -1.18 0.00 0.00 61.69 61.18 3ia2 s THR 122 Cb 0.13 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.90 3ia2 s THR 122 CO 0.44 -0.01 1.45 -0.81 -0.54 0.00 0.00 174.62 175.15 3ia2 n PRO 123 N -0.97 0.20 -3.54 3.99 -0.04 -1.26 -3.53 135.00 129.85 3ia2 n PRO 123 Ca 0.10 0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.52 3ia2 n PRO 123 Cb 0.47 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 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 -3.90 -0.46 -0.05 1.53 2.34 -0.91 -0.01 118.68 117.21 3ia2 s LEU 124 Ca 0.08 0.38 -0.09 0.00 0.06 0.00 0.00 54.13 54.56 3ia2 s LEU 124 Cb 0.15 2.12 -0.03 0.00 -0.56 0.00 0.00 46.19 47.87 3ia2 s LEU 124 CO 0.69 -0.51 -0.18 0.33 -1.06 0.00 0.00 176.35 175.62 3ia2 n PHE 125 N 0.50 0.00 -2.06 3.48 -0.00 -1.20 -4.64 117.46 113.54 3ia2 n PHE 125 Ca -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.04 3ia2 n PHE 125 Cb 0.59 -0.25 0.05 0.00 -0.00 0.00 0.00 39.48 39.86 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 -4.35 1.62 0.47 7.13 0.00 -0.96 -1.56 107.32 109.67 3ia2 s GLY 126 Ca -0.15 -0.54 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 3ia2 s GLY 126 CO 0.22 -0.18 1.39 1.20 0.00 0.00 0.00 173.10 175.73 3ia2 s GLN 127 N -5.28 3.59 0.20 2.90 -0.21 0.37 -4.46 119.66 116.78 3ia2 s GLN 127 Ca 0.58 2.32 0.03 0.00 0.02 0.00 0.00 55.36 58.31 3ia2 s GLN 127 Cb -0.11 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.29 3ia2 s GLN 127 CO 0.49 -0.86 -0.00 0.15 -2.12 0.00 0.00 175.29 172.94 3ia2 s LYS 128 N -2.55 1.22 0.31 2.91 -0.14 -0.96 -4.90 119.74 115.63 3ia2 s LYS 128 Ca 0.63 -1.60 0.04 0.00 -1.36 0.00 0.00 55.97 53.68 3ia2 s LYS 128 Cb -0.42 -0.44 0.64 0.00 -1.68 0.00 0.00 37.83 35.93 3ia2 s LYS 128 CO 0.53 -0.11 1.85 -1.35 -0.76 0.00 0.00 175.35 175.51 3ia2 h PRO 129 N 2.59 0.87 -0.51 -1.68 0.11 -2.01 0.13 132.00 131.51 3ia2 h PRO 129 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3ia2 h PRO 129 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3ia2 h PRO 129 CO 0.63 0.58 0.00 -0.40 -0.21 0.00 0.00 178.00 178.60 3ia2 n ASP 130 N -4.59 2.77 -3.19 -2.05 5.75 -1.26 -4.38 116.55 109.60 3ia2 n ASP 130 Ca 0.18 -1.99 -0.19 0.00 -0.01 0.00 0.00 54.79 52.78 3ia2 n ASP 130 Cb 0.38 -0.34 -0.04 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.02 0.11 0.30 2.11 9.36 0.45 -4.93 117.16 125.58 3ia2 n TYR 131 Ca 0.17 -3.77 0.18 0.00 3.32 0.00 0.00 57.90 57.80 3ia2 n TYR 131 Cb 0.44 -0.41 0.87 0.00 -0.63 0.00 0.00 39.34 39.62 3ia2 n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3ia2 h PRO 132 N 3.19 0.00 0.00 2.98 0.13 -1.72 -1.80 132.00 134.77 3ia2 h PRO 132 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ia2 h PRO 132 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3ia2 h PRO 132 CO 0.50 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.27 3ia2 n GLN 133 N -2.84 0.05 -0.86 0.86 0.00 -1.26 -4.82 117.38 108.51 3ia2 n GLN 133 Ca -0.01 0.15 -0.29 0.00 0.00 0.00 0.00 57.00 56.84 3ia2 n GLN 133 Cb 0.15 -1.57 0.24 0.00 0.00 0.00 0.00 30.24 29.06 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 -3.12 1.53 -0.02 2.61 0.00 -0.72 -4.95 107.32 102.66 3ia2 s GLY 134 Ca 0.10 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 3ia2 s GLY 134 CO 0.44 0.17 1.11 0.14 0.00 0.00 0.00 173.10 174.96 3ia2 s VAL 135 N -2.75 4.44 0.28 1.40 1.01 -0.60 -4.35 120.40 119.84 3ia2 s VAL 135 Ca 0.69 1.75 -0.30 0.00 0.00 0.00 0.00 61.98 64.12 3ia2 s VAL 135 Cb -0.15 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 31.98 3ia2 s VAL 135 CO 0.58 0.07 1.39 -2.65 0.00 0.00 0.00 175.10 174.49 3ia2 n PRO 136 N 4.53 2.15 0.30 2.72 -0.02 -1.26 -0.48 135.00 142.95 3ia2 n PRO 136 Ca 0.09 0.76 0.17 0.00 -2.02 0.00 0.00 63.50 62.50 3ia2 n PRO 136 Cb 0.48 -2.41 0.94 0.00 -0.02 0.00 0.00 33.50 32.49 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 3.67 0.00 -1.37 2.45 3.38 -1.93 -1.70 115.31 119.80 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 0.71 0.04 0.00 -2.24 0.09 0.00 0.00 178.44 177.04 3ia2 h ASP 138 N 0.00 0.00 -0.50 -0.43 2.03 -1.98 0.08 116.42 115.62 3ia2 h ASP 138 Ca -0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 3ia2 h ASP 138 Cb 0.17 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.64 3ia2 h ASP 138 CO 0.00 0.00 0.16 0.58 -1.03 0.00 0.00 179.24 178.96 3ia2 h VAL 139 N 0.00 1.23 0.01 4.15 2.07 -1.67 -1.87 116.25 120.17 3ia2 h VAL 139 Ca 0.00 -0.75 -0.20 0.00 0.82 0.00 0.00 66.70 66.57 3ia2 h VAL 139 Cb 0.50 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3ia2 h VAL 139 CO 0.00 0.28 -0.89 -0.26 0.02 0.00 0.00 177.57 176.72 3ia2 h PHE 140 N 0.67 0.20 -1.00 1.57 0.04 -1.44 -2.46 116.94 114.52 3ia2 h PHE 140 Ca 0.16 -0.12 0.03 0.00 2.80 0.00 0.00 57.97 60.84 3ia2 h PHE 140 Cb 0.26 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 3ia2 h PHE 140 CO 0.01 0.95 0.66 0.00 -0.60 0.00 0.00 178.31 179.33 3ia2 h ALA 141 N 1.01 1.32 -0.51 2.45 0.00 -0.94 -1.85 119.26 120.73 3ia2 h ALA 141 Ca -0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3ia2 h ALA 141 Cb 1.54 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ia2 h ALA 141 CO 0.13 0.58 -0.13 -0.09 0.00 0.00 0.00 179.25 179.74 3ia2 h ARG 142 N 1.29 0.97 -0.26 0.00 2.43 -1.14 -1.48 114.38 116.19 3ia2 h ARG 142 Ca 0.39 -0.36 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3ia2 h ARG 142 Cb -0.04 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.38 3ia2 h ARG 142 CO -0.11 1.03 -0.23 0.74 -1.51 0.00 0.00 179.97 179.89 3ia2 h PHE 143 N 0.86 -0.60 -0.46 2.20 -1.00 -0.96 -1.18 116.94 115.80 3ia2 h PHE 143 Ca 0.13 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3ia2 h PHE 143 Cb 0.68 0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 3ia2 h PHE 143 CO 0.04 -0.30 0.30 0.87 -1.61 0.00 0.00 178.31 177.61 3ia2 h LYS 144 N -0.22 0.61 -0.66 1.51 1.57 -1.05 0.15 116.57 118.47 3ia2 h LYS 144 Ca 0.14 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ia2 h LYS 144 Cb 0.44 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 3ia2 h LYS 144 CO -0.39 0.42 0.39 1.15 -0.57 0.00 0.00 179.45 180.45 3ia2 h THR 145 N 0.62 1.02 -0.37 -0.16 2.02 -0.94 -0.33 112.91 114.78 3ia2 h THR 145 Ca 0.17 -0.25 -0.16 0.00 0.77 0.00 0.00 66.41 66.93 3ia2 h THR 145 Cb -0.06 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3ia2 h THR 145 CO -0.04 0.13 -0.40 -0.33 0.37 0.00 0.00 175.52 175.25 3ia2 h GLU 146 N 0.74 0.93 -0.42 6.66 5.08 -0.88 -3.06 114.58 123.63 3ia2 h GLU 146 Ca 0.28 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3ia2 h GLU 146 Cb 0.11 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3ia2 h GLU 146 CO -0.15 1.16 0.10 -0.07 -1.00 0.00 0.00 179.01 179.06 3ia2 h LEU 147 N 0.75 0.56 -0.09 1.33 3.38 -0.57 -0.98 115.31 119.70 3ia2 h LEU 147 Ca 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ia2 h LEU 147 Cb 1.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ia2 h LEU 147 CO 0.10 0.57 -0.01 0.18 0.09 0.00 0.00 178.44 179.36 3ia2 n LEU 148 N -4.32 0.15 -0.13 1.67 4.77 -0.17 -2.95 117.00 116.03 3ia2 n LEU 148 Ca 0.03 0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.80 3ia2 n LEU 148 Cb 0.20 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3ia2 n LEU 148 CO 0.38 0.03 -1.36 0.29 -1.33 0.00 0.00 177.39 175.40 3ia2 n LYS 149 N -1.01 0.54 -3.02 3.23 5.02 -0.85 -4.97 118.16 117.10 3ia2 n LYS 149 Ca 0.19 0.24 -0.04 0.00 -2.02 0.00 0.00 58.31 56.67 3ia2 n LYS 149 Cb 0.19 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 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 -7.27 -1.11 0.31 4.39 -1.08 -0.43 -5.02 116.67 106.47 3ia2 s ASP 150 Ca -0.35 -1.43 0.08 0.00 -0.52 0.00 0.00 52.55 50.33 3ia2 s ASP 150 Cb 0.14 1.68 0.50 0.00 -1.46 0.00 0.00 42.92 43.78 3ia2 s ASP 150 CO 0.44 -0.12 1.72 0.08 0.52 0.00 0.00 175.17 177.81 3ia2 h ARG 151 N 5.98 0.16 -0.18 4.34 0.11 -1.70 -2.38 114.38 120.72 3ia2 h ARG 151 Ca 0.07 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ia2 h ARG 151 Cb 1.12 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.19 3ia2 h ARG 151 CO 0.08 0.56 0.11 0.00 0.10 0.00 0.00 179.97 180.82 3ia2 h ALA 152 N 1.43 0.22 -0.04 0.08 0.00 -1.94 -0.76 119.26 118.25 3ia2 h ALA 152 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3ia2 h ALA 152 Cb 0.81 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3ia2 h ALA 152 CO 0.06 -0.31 -0.61 0.37 0.00 0.00 0.00 179.25 178.76 3ia2 h GLN 153 N 0.23 0.14 -0.04 0.00 5.75 -1.96 -2.38 115.11 116.85 3ia2 h GLN 153 Ca 0.07 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3ia2 h GLN 153 Cb -0.02 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3ia2 h GLN 153 CO -0.02 0.71 -0.06 0.35 -2.65 0.00 0.00 178.83 177.15 3ia2 h PHE 154 N 0.10 -0.15 -0.25 3.99 3.57 -1.02 -0.20 116.94 122.98 3ia2 h PHE 154 Ca -0.01 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3ia2 h PHE 154 Cb 1.11 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 3ia2 h PHE 154 CO 0.01 -0.10 -0.06 0.82 -2.23 0.00 0.00 178.31 176.75 3ia2 h ILE 155 N -0.09 0.75 -0.36 1.41 2.04 -1.02 -0.01 117.51 120.23 3ia2 h ILE 155 Ca 0.04 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3ia2 h ILE 155 Cb 0.15 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3ia2 h ILE 155 CO -0.10 0.00 0.13 -1.28 0.00 0.00 0.00 178.15 176.91 3ia2 h SER 156 N 0.01 0.16 0.26 1.72 0.87 -1.13 -1.50 113.55 113.93 3ia2 h SER 156 Ca 0.12 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3ia2 h SER 156 Cb 0.18 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3ia2 h SER 156 CO -0.26 0.13 -0.22 0.44 -0.53 0.00 0.00 176.83 176.39 3ia2 h ASP 157 N 0.29 0.00 0.59 6.23 3.32 -0.70 -2.87 116.42 123.28 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 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ia2 h ASP 157 CO -0.15 0.22 -0.30 0.15 -1.72 0.00 0.00 179.24 177.44 3ia2 h PHE 158 N 0.00 0.00 -0.82 4.55 3.04 0.07 -3.18 116.94 120.60 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 0.41 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.82 3ia2 h PHE 158 CO 0.00 0.30 0.37 -0.91 -2.02 0.00 0.00 178.31 176.05 3ia2 h ASN 159 N 0.00 0.38 0.61 0.41 2.35 -1.26 -1.33 115.58 116.74 3ia2 h ASN 159 Ca -0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3ia2 h ASN 159 Cb 0.67 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.11 3ia2 h ASN 159 CO 0.04 0.13 -0.37 0.00 -1.65 0.00 0.00 177.43 175.58 3ia2 h ALA 160 N 1.58 -1.19 0.00 -0.83 0.00 -1.76 -1.41 119.26 115.66 3ia2 h ALA 160 Ca 0.46 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ia2 h ALA 160 Cb 0.72 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ia2 h ALA 160 CO -0.41 -1.15 -0.29 -1.00 0.00 0.00 0.00 179.25 176.39 3ia2 h PRO 161 N -0.91 0.00 -0.01 0.00 0.13 -1.76 0.16 132.00 129.61 3ia2 h PRO 161 Ca -0.08 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3ia2 h PRO 161 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 3ia2 h PRO 161 CO 0.09 0.29 0.00 0.35 -0.23 0.00 0.00 178.00 178.50 3ia2 h PHE 162 N 0.00 0.01 -0.02 1.56 3.57 -1.06 -3.05 116.94 117.95 3ia2 h PHE 162 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3ia2 h PHE 162 Cb 0.69 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3ia2 h PHE 162 CO 0.00 0.07 -0.08 0.66 -2.23 0.00 0.00 178.31 176.73 3ia2 n TYR 163 N -5.05 0.00 -1.82 0.41 4.01 -0.55 -1.10 117.16 113.06 3ia2 n TYR 163 Ca -0.07 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 3ia2 n TYR 163 Cb 0.06 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.28 0.42 0.25 2.72 0.00 -0.12 -4.71 105.19 105.03 3ia2 n GLY 164 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 1.12 0.00 -0.61 2.04 -0.97 0.12 117.51 119.21 3ia2 h ILE 165 Ca -0.21 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3ia2 h ILE 165 Cb 0.95 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3ia2 h ILE 165 CO 0.27 0.16 0.00 -0.46 0.00 0.00 0.00 178.15 178.12 3ia2 n ASN 166 N -4.37 0.00 -2.77 1.72 6.94 -1.24 -3.91 115.26 111.62 3ia2 n ASN 166 Ca -0.01 0.14 -0.14 0.00 -0.02 0.00 0.00 54.58 54.55 3ia2 n ASN 166 Cb 0.19 -0.36 0.01 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.36 1.51 -0.63 -3.83 5.02 -0.03 -4.99 118.16 113.85 3ia2 n LYS 167 Ca 0.09 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 52.85 3ia2 n LYS 167 Cb 0.20 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.05 0.80 3.88 0.72 0.00 -1.18 -4.99 105.19 104.38 3ia2 n GLY 168 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ia2 n GLY 168 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ia2 s GLN 169 N -0.37 3.71 -0.23 1.61 2.00 -0.84 -5.03 119.66 120.51 3ia2 s GLN 169 Ca 0.00 0.09 -0.02 0.00 -2.00 0.00 0.00 55.36 53.43 3ia2 s GLN 169 Cb 0.00 -2.84 0.01 0.00 0.80 0.00 0.00 33.01 30.99 3ia2 s GLN 169 CO 0.00 0.45 -0.06 0.08 -0.50 0.00 0.00 175.29 175.26 3ia2 s VAL 170 N -1.63 3.01 -0.03 1.34 1.01 -1.26 -4.35 120.40 118.49 3ia2 s VAL 170 Ca 0.41 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3ia2 s VAL 170 Cb -0.12 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3ia2 s VAL 170 CO 0.22 0.31 -0.06 -0.69 0.00 0.00 0.00 175.10 174.88 3ia2 s VAL 171 N 1.38 0.60 0.82 2.92 1.01 -1.26 -4.99 120.40 120.89 3ia2 s VAL 171 Ca 0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 3ia2 s VAL 171 Cb -0.15 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.75 3ia2 s VAL 171 CO -0.05 0.21 1.11 -0.94 0.00 0.00 0.00 175.10 175.43 3ia2 s SER 172 N 0.38 3.96 0.34 3.32 1.04 -1.26 -4.90 113.70 116.58 3ia2 s SER 172 Ca -0.05 1.95 0.02 0.00 0.48 0.00 0.00 55.95 58.36 3ia2 s SER 172 Cb -0.09 -2.54 0.61 0.00 0.10 0.00 0.00 66.02 64.10 3ia2 s SER 172 CO 0.00 -2.40 1.96 1.56 0.98 0.00 0.00 173.24 175.34 3ia2 h GLN 173 N -1.37 0.75 -0.30 4.02 1.08 -2.01 -2.75 115.11 114.54 3ia2 h GLN 173 Ca -0.43 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 3ia2 h GLN 173 Cb 1.24 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.49 3ia2 h GLN 173 CO 0.48 0.57 0.08 0.78 -0.95 0.00 0.00 178.83 179.79 3ia2 h GLY 174 N 0.84 0.36 0.99 3.46 0.00 -1.99 0.63 103.07 107.36 3ia2 h GLY 174 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3ia2 h GLY 174 CO -0.03 0.01 0.32 -2.08 0.00 0.00 0.00 176.54 174.76 3ia2 h VAL 175 N 0.20 1.20 -0.73 4.60 2.07 -1.88 -0.40 116.25 121.31 3ia2 h VAL 175 Ca 0.14 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3ia2 h VAL 175 Cb 0.13 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3ia2 h VAL 175 CO -0.16 0.23 0.21 1.56 0.02 0.00 0.00 177.57 179.42 3ia2 h GLN 176 N 0.83 1.14 -0.33 1.57 4.20 -1.20 -0.22 115.11 121.11 3ia2 h GLN 176 Ca 0.21 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3ia2 h GLN 176 Cb 0.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3ia2 h GLN 176 CO -0.03 0.98 0.07 1.15 -0.67 0.00 0.00 178.83 180.33 3ia2 h THR 177 N 1.09 1.22 -0.78 -0.54 2.02 -0.59 -2.12 112.91 113.21 3ia2 h THR 177 Ca 0.23 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3ia2 h THR 177 Cb 0.33 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3ia2 h THR 177 CO -0.00 0.25 0.29 -0.61 0.37 0.00 0.00 175.52 175.82 3ia2 h GLN 178 N 0.37 1.18 -0.24 6.66 4.15 -0.88 -0.50 115.11 125.85 3ia2 h GLN 178 Ca 0.10 -0.23 0.02 0.00 0.77 0.00 0.00 58.65 59.31 3ia2 h GLN 178 Cb 0.31 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 3ia2 h GLN 178 CO 0.00 0.97 0.11 1.15 -1.93 0.00 0.00 178.83 179.13 3ia2 h THR 179 N 1.14 0.98 -0.39 2.39 2.02 -0.91 -1.33 112.91 116.82 3ia2 h THR 179 Ca 0.26 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3ia2 h THR 179 Cb 0.25 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3ia2 h THR 179 CO -0.02 0.04 0.15 0.25 0.37 0.00 0.00 175.52 176.32 3ia2 h LEU 180 N 0.24 0.54 -0.31 2.58 5.85 -1.13 -1.86 115.31 121.21 3ia2 h LEU 180 Ca 0.10 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ia2 h LEU 180 Cb 0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3ia2 h LEU 180 CO -0.08 0.57 0.05 -0.61 -0.34 0.00 0.00 178.44 178.03 3ia2 h GLN 181 N 0.48 0.16 -0.39 1.25 4.15 -0.80 -1.17 115.11 118.78 3ia2 h GLN 181 Ca 0.13 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3ia2 h GLN 181 Cb 0.20 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3ia2 h GLN 181 CO -0.01 0.10 0.15 0.82 -1.93 0.00 0.00 178.83 177.96 3ia2 h ILE 182 N 0.16 1.20 -0.32 2.39 2.04 -1.20 -3.00 117.51 118.77 3ia2 h ILE 182 Ca 0.15 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3ia2 h ILE 182 Cb 0.17 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3ia2 h ILE 182 CO -0.20 0.22 0.10 0.00 0.00 0.00 0.00 178.15 178.28 3ia2 h ALA 183 N 0.99 1.58 0.00 1.87 0.00 -0.92 -2.06 119.26 120.72 3ia2 h ALA 183 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ia2 h ALA 183 Cb 0.20 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ia2 h ALA 183 CO -0.01 0.33 -0.08 -0.07 0.00 0.00 0.00 179.25 179.42 3ia2 h LEU 184 N 0.46 0.00 -1.77 0.00 3.38 -1.08 -2.52 115.31 113.78 3ia2 h LEU 184 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ia2 h LEU 184 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ia2 h LEU 184 CO -0.01 0.08 -0.13 -0.07 0.09 0.00 0.00 178.44 178.40 3ia2 h LEU 185 N 0.00 0.00-10.32 1.67 3.38 -1.33 -3.45 115.31 105.25 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 0.59 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.48 3ia2 h LEU 185 CO 0.01 0.13 0.29 0.00 0.09 0.00 0.00 178.44 178.96 3ia2 s ALA 186 N -4.72 1.96 0.21 1.53 0.00 -0.95 -4.57 121.76 115.22 3ia2 s ALA 186 Ca -0.04 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 3ia2 s ALA 186 Cb 0.16 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 3ia2 s ALA 186 CO 0.68 -2.01 1.09 0.45 0.00 0.00 0.00 175.76 175.97 3ia2 s SER 187 N -3.41 7.29 0.20 0.00 0.15 0.51 -4.96 113.70 113.48 3ia2 s SER 187 Ca 0.62 2.13 -0.11 0.00 0.70 0.00 0.00 55.95 59.29 3ia2 s SER 187 Cb -0.17 -2.61 0.19 0.00 -1.71 0.00 0.00 66.02 61.71 3ia2 s SER 187 CO 0.56 -0.18 1.81 0.25 1.20 0.00 0.00 173.24 176.88 3ia2 h LEU 188 N 4.72 0.52 -0.23 3.45 5.85 -1.95 -0.92 115.31 126.75 3ia2 h LEU 188 Ca -0.45 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 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 0.35 0.08 0.50 -0.34 0.00 0.00 178.44 179.74 3ia2 h LYS 189 N 0.65 0.34 -0.81 1.25 1.63 -1.96 -1.98 116.57 115.69 3ia2 h LYS 189 Ca 0.26 -0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 3ia2 h LYS 189 Cb 0.13 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3ia2 h LYS 189 CO -0.15 0.40 0.35 0.00 -3.45 0.00 0.00 179.45 176.60 3ia2 h ALA 190 N 0.92 1.08 -0.51 5.00 0.00 -1.84 0.20 119.26 124.12 3ia2 h ALA 190 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3ia2 h ALA 190 Cb 0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3ia2 h ALA 190 CO -0.01 0.66 0.33 1.15 0.00 0.00 0.00 179.25 181.39 3ia2 h THR 191 N 1.17 1.12 -0.10 0.00 2.02 -0.95 -0.81 112.91 115.37 3ia2 h THR 191 Ca 0.27 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 67.09 3ia2 h THR 191 Cb 0.18 0.38 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3ia2 h THR 191 CO -0.03 0.12 -0.47 0.58 0.37 0.00 0.00 175.52 176.10 3ia2 h VAL 192 N 0.68 1.38 -0.85 3.16 2.07 -1.13 -3.22 116.25 118.33 3ia2 h VAL 192 Ca 0.19 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 65.97 3ia2 h VAL 192 Cb -0.07 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3ia2 h VAL 192 CO -0.04 0.54 0.56 0.44 0.02 0.00 0.00 177.57 179.08 3ia2 h ASP 193 N 0.08 0.84 -0.16 0.57 3.32 -0.82 -1.77 116.42 118.47 3ia2 h ASP 193 Ca -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3ia2 h ASP 193 Cb 1.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 3ia2 h ASP 193 CO 0.10 0.54 0.01 0.00 -1.72 0.00 0.00 179.24 178.16 3ia2 h VAL 195 N 0.39 0.91 -0.57 0.00 2.07 -1.33 0.48 116.25 118.20 3ia2 h VAL 195 Ca 0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3ia2 h VAL 195 Cb 0.25 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3ia2 h VAL 195 CO 0.01 0.00 0.18 0.74 0.02 0.00 0.00 177.57 178.51 3ia2 h THR 196 N -0.06 0.75 0.60 2.57 2.02 -1.38 0.26 112.91 117.67 3ia2 h THR 196 Ca 0.02 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3ia2 h THR 196 Cb 0.08 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3ia2 h THR 196 CO -0.04 0.06 -0.30 0.00 0.37 0.00 0.00 175.52 175.61 3ia2 h ALA 197 N 1.41 -0.82 0.00 6.16 0.00 -0.72 -2.53 119.26 122.76 3ia2 h ALA 197 Ca 0.29 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ia2 h ALA 197 Cb 0.37 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ia2 h ALA 197 CO -0.32 -0.96 -0.09 0.27 0.00 0.00 0.00 179.25 178.15 3ia2 h PHE 198 N -0.82 0.00 -0.35 0.00 -5.15 -0.82 -2.01 116.94 107.78 3ia2 h PHE 198 Ca -0.08 0.00 -0.16 0.00 -0.20 0.00 0.00 57.97 57.52 3ia2 h PHE 198 Cb 0.63 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.80 3ia2 h PHE 198 CO -0.04 0.09 -0.42 0.00 -2.00 0.00 0.00 178.31 175.93 3ia2 h ALA 199 N 1.91 0.58 -0.00 12.09 0.00 -0.91 -3.40 119.26 129.54 3ia2 h ALA 199 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ia2 h ALA 199 Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ia2 h ALA 199 CO 0.01 0.68 -0.07 0.39 0.00 0.00 0.00 179.25 180.26 3ia2 n GLU 200 N -4.04 6.00 -2.51 0.00 1.02 -0.96 -2.27 120.64 117.89 3ia2 n GLU 200 Ca -0.03 -0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 3ia2 n GLU 200 Cb 0.56 -0.60 -0.03 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 -1.07 4.29 -0.34 2.62 2.01 -0.76 -5.01 115.64 117.37 3ia2 s THR 201 Ca 0.01 1.64 -0.14 0.00 0.31 0.00 0.00 61.69 63.51 3ia2 s THR 201 Cb 0.01 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 3ia2 s THR 201 CO 0.06 0.12 0.30 -0.62 -0.69 0.00 0.00 174.62 173.79 3ia2 s ASP 202 N 1.07 6.12 -0.06 3.53 -1.08 -1.26 -4.53 116.67 120.45 3ia2 s ASP 202 Ca 0.57 -0.34 0.20 0.00 -0.52 0.00 0.00 52.55 52.45 3ia2 s ASP 202 Cb -0.27 -2.17 0.66 0.00 -1.46 0.00 0.00 42.92 39.69 3ia2 s ASP 202 CO 0.28 -0.29 1.57 0.49 0.52 0.00 0.00 175.17 177.74 3ia2 n PHE 203 N 5.24 1.20 -0.28 -5.34 3.72 0.99 -4.53 117.46 118.46 3ia2 n PHE 203 Ca -0.11 -0.56 -0.06 0.00 -0.05 0.00 0.00 57.45 56.66 3ia2 n PHE 203 Cb 0.49 -0.13 0.06 0.00 -0.94 0.00 0.00 39.48 38.96 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 4.00 1.18 -0.90 -1.08 3.08 -1.90 -1.55 114.38 117.20 3ia2 h ARG 204 Ca 0.00 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3ia2 h ARG 204 Cb 1.22 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 3ia2 h ARG 204 CO 0.12 0.99 0.60 -1.35 -1.07 0.00 0.00 179.97 179.26 3ia2 h PRO 205 N 1.13 1.17 -0.91 0.04 0.11 -1.93 -2.69 132.00 128.93 3ia2 h PRO 205 Ca 0.25 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.33 3ia2 h PRO 205 Cb 0.29 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.08 3ia2 h PRO 205 CO -0.01 0.78 0.59 -0.44 -0.21 0.00 0.00 178.00 178.70 3ia2 h ASP 206 N 1.21 0.96 -0.82 -2.05 5.19 -1.60 -2.65 116.42 116.66 3ia2 h ASP 206 Ca 0.34 -0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.85 3ia2 h ASP 206 Cb -0.12 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 39.13 3ia2 h ASP 206 CO -0.08 0.65 0.53 0.24 -3.12 0.00 0.00 179.24 177.46 3ia2 h MET 207 N 1.12 0.72 0.00 3.56 2.86 -1.04 0.07 114.93 122.23 3ia2 h MET 207 Ca 0.37 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 3ia2 h MET 207 Cb 0.05 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3ia2 h MET 207 CO -0.14 0.48 0.00 0.00 1.06 0.00 0.00 176.91 178.31 3ia2 h ALA 208 N 1.59 1.00 -0.01 6.32 0.00 -1.52 -2.89 119.26 123.75 3ia2 h ALA 208 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3ia2 h ALA 208 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ia2 h ALA 208 CO -0.15 0.00 -0.48 1.63 0.00 0.00 0.00 179.25 180.25 3ia2 n LYS 209 N -2.34 0.76 -2.76 0.00 4.76 0.00 -4.84 118.16 113.74 3ia2 n LYS 209 Ca 0.03 -0.56 -0.43 0.00 -2.87 0.00 0.00 58.31 54.49 3ia2 n LYS 209 Cb 0.30 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3ia2 n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ia2 s ILE 210 N -2.62 4.27 -0.31 -0.18 1.01 -1.09 -4.85 121.20 117.43 3ia2 s ILE 210 Ca 0.18 0.47 0.07 0.00 0.00 0.00 0.00 60.65 61.38 3ia2 s ILE 210 Cb 0.18 -4.60 0.46 0.00 0.01 0.00 0.00 42.46 38.51 3ia2 s ILE 210 CO 0.61 -1.19 1.31 -0.90 0.00 0.00 0.00 174.94 174.77 3ia2 n ASP 211 N 7.77 4.17 -4.31 3.58 5.75 -1.26 -4.54 116.55 127.71 3ia2 n ASP 211 Ca 0.04 -3.79 -0.17 0.00 -0.01 0.00 0.00 54.79 50.86 3ia2 n ASP 211 Cb 0.48 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 40.00 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 -4.16 1.46 0.20 2.12 -7.23 -1.26 -5.11 120.40 106.41 3ia2 s VAL 212 Ca 0.49 -2.14 -0.33 0.00 -1.81 0.00 0.00 61.98 58.19 3ia2 s VAL 212 Cb 0.41 -2.00 -0.14 0.00 0.56 0.00 0.00 36.38 35.21 3ia2 s VAL 212 CO 0.01 -0.63 1.43 -2.65 -0.31 0.00 0.00 175.10 172.94 3ia2 n PRO 213 N -0.31 1.91 -4.27 4.82 -0.02 -1.26 -4.77 135.00 131.10 3ia2 n PRO 213 Ca -0.09 0.68 -0.19 0.00 -2.02 0.00 0.00 63.50 61.89 3ia2 n PRO 213 Cb 0.61 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.28 0.61 -0.16 3.45 2.01 -1.26 -1.10 115.64 119.47 3ia2 s THR 214 Ca 0.73 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.49 3ia2 s THR 214 Cb -0.70 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.25 3ia2 s THR 214 CO 0.46 0.20 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.19 3ia2 s LEU 215 N 0.30 2.30 -0.21 4.42 2.96 -0.13 -0.29 118.68 128.04 3ia2 s LEU 215 Ca -0.04 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3ia2 s LEU 215 Cb -0.08 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3ia2 s LEU 215 CO 0.00 0.06 0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 3ia2 s VAL 216 N 0.92 4.11 -0.05 1.68 1.01 0.10 -1.11 120.40 127.06 3ia2 s VAL 216 Ca -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.74 3ia2 s VAL 216 Cb -0.15 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3ia2 s VAL 216 CO -0.03 0.41 -0.22 -0.63 0.00 0.00 0.00 175.10 174.63 3ia2 s ILE 217 N 1.08 1.79 -0.10 2.22 1.01 -0.26 -0.32 121.20 126.62 3ia2 s ILE 217 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 3ia2 s ILE 217 Cb -0.14 -1.52 0.03 0.00 0.01 0.00 0.00 42.46 40.84 3ia2 s ILE 217 CO 0.02 0.50 0.37 -2.28 0.00 0.00 0.00 174.94 173.56 3ia2 s HIS 218 N -0.08 -0.36 0.00 3.97 2.46 -0.87 -0.84 115.29 119.57 3ia2 s HIS 218 Ca -0.04 0.80 -0.22 0.00 0.47 0.00 0.00 55.06 56.07 3ia2 s HIS 218 Cb -0.13 0.14 -0.05 0.00 -0.13 0.00 0.00 32.58 32.41 3ia2 s HIS 218 CO 0.03 -0.28 0.67 0.20 -2.47 0.00 0.00 174.74 172.89 3ia2 s GLY 219 N -0.31 2.67 -0.00 1.59 0.00 -1.26 -1.25 107.32 108.76 3ia2 s GLY 219 Ca -0.05 0.13 0.07 0.00 0.00 0.00 0.00 44.72 44.88 3ia2 s GLY 219 CO 0.02 0.94 1.16 2.09 0.00 0.00 0.00 173.10 177.31 3ia2 n ASP 220 N 2.93 1.33 -0.81 1.64 5.68 -1.08 -2.52 116.55 123.71 3ia2 n ASP 220 Ca -0.04 -2.02 0.07 0.00 -0.50 0.00 0.00 54.79 52.30 3ia2 n ASP 220 Cb 0.51 -0.18 0.21 0.00 -1.14 0.00 0.00 41.12 40.51 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 0.84 3.16 3.62 6.12 0.00 -0.46 -4.76 105.19 113.70 3ia2 n GLY 221 Ca 0.08 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.28 5.96 0.03 1.61 -1.08 -1.05 -4.57 116.67 116.29 3ia2 s ASP 222 Ca 0.32 1.83 0.25 0.00 -0.52 0.00 0.00 52.55 54.43 3ia2 s ASP 222 Cb 0.21 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.73 3ia2 s ASP 222 CO 0.15 -1.57 1.47 0.00 0.52 0.00 0.00 175.17 175.74 3ia2 n GLN 223 N 8.19 0.07 -0.11 4.34 6.02 -1.26 -4.38 117.38 130.25 3ia2 n GLN 223 Ca 0.24 0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 57.03 3ia2 n GLN 223 Cb 0.45 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.09 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 -1.66 1.42 -3.94 5.09 2.08 -1.26 -4.86 119.36 116.24 3ia2 n ILE 224 Ca 0.05 -0.21 -0.33 0.00 0.56 0.00 0.00 62.75 62.82 3ia2 n ILE 224 Cb 0.36 -1.97 -0.14 0.00 -0.75 0.00 0.00 39.64 37.14 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 2.63 0.01 1.39 1.01 -1.26 -5.08 120.40 116.54 3ia2 s VAL 225 Ca -0.33 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.17 3ia2 s VAL 225 Cb 0.11 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3ia2 s VAL 225 CO 0.43 -0.58 1.99 -2.65 0.00 0.00 0.00 175.10 174.29 3ia2 n PRO 226 N 4.39 2.78 -0.17 2.72 -0.02 -1.26 -4.79 135.00 138.64 3ia2 n PRO 226 Ca 0.00 1.01 -0.01 0.00 -2.02 0.00 0.00 63.50 62.48 3ia2 n PRO 226 Cb 0.42 -3.01 0.08 0.00 -0.02 0.00 0.00 33.50 30.97 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 10.87 0.11 -0.60 6.00 3.04 -1.82 -2.56 116.94 131.98 3ia2 h PHE 227 Ca -0.49 0.03 0.07 0.00 3.98 0.00 0.00 57.97 61.57 3ia2 h PHE 227 Cb 1.24 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 39.75 3ia2 h PHE 227 CO 0.95 -0.05 0.40 0.93 -2.02 0.00 0.00 178.31 178.52 3ia2 h GLU 228 N 0.20 0.51 -0.14 1.11 4.39 -1.95 -1.63 114.58 117.06 3ia2 h GLU 228 Ca 0.28 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3ia2 h GLU 228 Cb 0.41 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3ia2 h GLU 228 CO -0.39 0.34 0.00 0.25 -1.16 0.00 0.00 179.01 178.05 3ia2 n THR 229 N -4.48 0.27 0.00 1.13 -2.24 -1.09 -4.33 114.28 103.54 3ia2 n THR 229 Ca 0.09 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3ia2 n THR 229 Cb 0.28 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.26 4.28 -2.24 -0.96 -4.62 114.28 111.36 3ia2 n THR 230 Ca 0.11 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.96 3ia2 n THR 230 Cb 0.41 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.09 0.48 3.38 0.00 -1.58 0.12 103.07 106.56 3ia2 h GLY 231 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.40 3ia2 h GLY 231 CO 0.00 -0.25 0.40 1.70 0.00 0.00 0.00 176.54 178.39 3ia2 h LYS 232 N 0.24 0.65 0.10 4.80 3.64 -1.56 -1.82 116.57 122.62 3ia2 h LYS 232 Ca 0.45 -0.04 -0.28 0.00 -1.27 0.00 0.00 60.65 59.51 3ia2 h LYS 232 Cb 0.81 -0.15 0.03 0.00 -0.41 0.00 0.00 32.23 32.51 3ia2 h LYS 232 CO -0.56 0.43 -1.16 0.28 -2.27 0.00 0.00 179.45 176.17 3ia2 h VAL 233 N 0.67 1.30 -0.91 2.00 2.07 -1.24 -3.26 116.25 116.88 3ia2 h VAL 233 Ca 0.37 -2.41 0.07 0.00 0.82 0.00 0.00 66.70 65.55 3ia2 h VAL 233 Cb 0.38 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 3ia2 h VAL 233 CO -0.26 0.73 0.57 0.00 0.02 0.00 0.00 177.57 178.63 3ia2 h ALA 234 N 0.28 1.27 0.00 1.67 0.00 -0.60 -0.89 119.26 120.99 3ia2 h ALA 234 Ca -0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3ia2 h ALA 234 Cb 1.84 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3ia2 h ALA 234 CO 0.22 0.31 -0.14 0.00 0.00 0.00 0.00 179.25 179.65 3ia2 h ALA 235 N 1.43 1.60 0.16 0.00 0.00 -1.39 -1.60 119.26 119.46 3ia2 h ALA 235 Ca 0.40 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.87 3ia2 h ALA 235 Cb 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ia2 h ALA 235 CO -0.18 0.17 -1.54 0.93 0.00 0.00 0.00 179.25 178.63 3ia2 h GLU 236 N 0.00 0.33 0.00 0.00 5.08 -1.31 -3.37 114.58 115.31 3ia2 h GLU 236 Ca -0.00 -0.57 -0.11 0.00 -1.00 0.00 0.00 59.36 57.68 3ia2 h GLU 236 Cb 0.27 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3ia2 h GLU 236 CO 0.02 1.23 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.67 3ia2 h LEU 237 N 0.09 0.00 -8.83 1.33 3.38 -0.87 -3.42 115.31 106.99 3ia2 h LEU 237 Ca -0.26 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.09 3ia2 h LEU 237 Cb 2.06 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.68 3ia2 h LEU 237 CO 0.19 0.52 0.17 -0.63 0.09 0.00 0.00 178.44 178.78 3ia2 s ILE 238 N -3.22 4.89 0.10 1.22 1.01 -0.63 -4.59 121.20 119.98 3ia2 s ILE 238 Ca 0.02 0.73 -0.32 0.00 0.00 0.00 0.00 60.65 61.08 3ia2 s ILE 238 Cb 0.09 -4.06 -0.12 0.00 0.01 0.00 0.00 42.46 38.39 3ia2 s ILE 238 CO 0.73 -0.26 1.78 1.17 0.00 0.00 0.00 174.94 178.37 3ia2 n LYS 239 N 6.02 2.55 -1.00 2.79 4.81 -1.26 -1.90 118.16 130.17 3ia2 n LYS 239 Ca -0.01 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 3ia2 n LYS 239 Cb 0.49 -2.79 0.00 0.00 0.02 0.00 0.00 35.03 32.75 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 4.07 0.83 3.76 3.14 0.00 -1.26 -4.87 105.19 110.86 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 -3.35 3.15 -0.04 4.61 0.00 -0.80 -4.62 121.76 120.71 3ia2 s ALA 241 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 3ia2 s ALA 241 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3ia2 s ALA 241 CO 0.00 -0.96 0.15 -2.00 0.00 0.00 0.00 175.76 172.95 3ia2 s GLU 242 N -2.44 3.37 -0.10 0.00 2.12 0.61 -4.95 118.70 117.30 3ia2 s GLU 242 Ca 0.61 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.67 3ia2 s GLU 242 Cb -0.38 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 30.94 3ia2 s GLU 242 CO 0.48 0.70 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.53 3ia2 s LEU 243 N -1.64 1.94 -0.12 2.70 2.96 -1.26 0.02 118.68 123.28 3ia2 s LEU 243 Ca 0.23 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 3ia2 s LEU 243 Cb -0.12 -1.24 0.01 0.00 0.50 0.00 0.00 46.19 45.34 3ia2 s LEU 243 CO 0.14 0.10 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.55 3ia2 s LYS 244 N 0.56 2.53 -0.23 1.98 1.02 0.56 -4.97 119.74 121.19 3ia2 s LYS 244 Ca -0.15 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 3ia2 s LYS 244 Cb -0.17 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 3ia2 s LYS 244 CO 0.05 -0.03 0.04 0.08 -0.92 0.00 0.00 175.35 174.57 3ia2 s VAL 245 N 0.89 4.19 -0.30 3.17 1.01 -1.26 -2.05 120.40 126.04 3ia2 s VAL 245 Ca -0.07 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 3ia2 s VAL 245 Cb -0.15 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3ia2 s VAL 245 CO -0.01 0.37 0.85 -0.31 0.00 0.00 0.00 175.10 176.00 3ia2 s TYR 246 N 1.39 3.20 0.01 5.22 1.51 -0.38 -4.95 117.35 123.35 3ia2 s TYR 246 Ca 0.05 0.91 -0.30 0.00 -1.01 0.00 0.00 57.07 56.72 3ia2 s TYR 246 Cb -0.15 -3.29 -0.08 0.00 -0.11 0.00 0.00 41.96 38.33 3ia2 s TYR 246 CO 0.02 -0.59 1.80 0.21 -1.11 0.00 0.00 175.55 175.88 3ia2 s LYS 247 N 3.08 4.16 0.00 -0.62 2.20 -1.26 -2.52 119.74 124.78 3ia2 s LYS 247 Ca 0.35 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 3ia2 s LYS 247 Cb -0.14 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.19 3ia2 s LYS 247 CO 0.13 -0.88 0.00 -0.25 -0.36 0.00 0.00 175.35 173.99 3ia2 n ASP 248 N 7.04 0.00 -4.70 1.43 8.00 -1.26 -4.93 116.55 122.14 3ia2 n ASP 248 Ca 0.18 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 3ia2 n ASP 248 Cb 0.41 -0.80 0.03 0.00 -0.02 0.00 0.00 41.12 40.75 3ia2 n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ia2 n ALA 249 N 0.69 1.12 -1.55 2.24 0.00 -1.05 -4.29 120.51 117.66 3ia2 n ALA 249 Ca 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 3ia2 n ALA 249 Cb 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 19.45 17.23 3ia2 n ALA 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ia2 n PRO 250 N -0.63 -0.07 -0.03 0.00 -0.04 -1.26 -1.35 135.00 131.61 3ia2 n PRO 250 Ca 0.10 -0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 62.93 3ia2 n PRO 250 Cb 0.43 -0.26 -0.06 0.00 -0.04 0.00 0.00 33.50 33.57 3ia2 n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3ia2 h HIS 251 N -0.95 0.20 -0.23 0.54 -0.00 -1.79 -3.31 115.15 109.62 3ia2 h HIS 251 Ca -0.09 -0.03 -0.43 0.00 -0.00 0.00 0.00 60.37 59.82 3ia2 h HIS 251 Cb 0.27 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.57 3ia2 h HIS 251 CO 0.00 0.37 1.32 0.41 -0.00 0.00 0.00 177.93 180.02 3ia2 n GLY 252 N -0.47 3.75 0.00 5.26 0.00 -0.26 -4.63 105.19 108.84 3ia2 n GLY 252 Ca -0.06 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 2.59 0.00 0.27 1.61 1.16 -1.25 -2.24 117.46 119.61 3ia2 n PHE 253 Ca 0.57 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 56.30 3ia2 n PHE 253 Cb 0.60 -0.35 0.75 0.00 -1.61 0.00 0.00 39.48 38.86 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 3.15 1.12 0.00 1.98 0.00 -1.87 0.24 119.26 123.88 3ia2 h ALA 254 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3ia2 h ALA 254 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ia2 h ALA 254 CO 0.00 0.11 -0.97 0.28 0.00 0.00 0.00 179.25 178.67 3ia2 n VAL 255 N -3.37 1.48 0.16 0.00 0.31 -0.95 -3.63 118.33 112.34 3ia2 n VAL 255 Ca -0.01 0.07 0.03 0.00 -0.01 0.00 0.00 64.34 64.42 3ia2 n VAL 255 Cb 0.26 -2.19 0.24 0.00 -0.91 0.00 0.00 33.84 31.24 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 1.09 -0.71 2.52 1.35 -1.52 -3.24 112.91 111.41 3ia2 h THR 256 Ca -0.21 -1.85 -0.47 0.00 -0.55 0.00 0.00 66.41 63.33 3ia2 h THR 256 Cb 0.97 2.08 -0.42 0.00 -1.73 0.00 0.00 68.15 69.05 3ia2 h THR 256 CO -0.13 0.48 -0.90 1.41 -0.25 0.00 0.00 175.52 176.14 3ia2 n HIS 257 N -3.58 2.38 -0.02 4.73 -0.00 0.84 -4.92 115.22 114.65 3ia2 n HIS 257 Ca -0.00 -2.25 -0.09 0.00 -0.00 0.00 0.00 57.72 55.38 3ia2 n HIS 257 Cb 0.58 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.24 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 2.32 0.00 -0.46 -1.41 0.00 -1.59 -1.11 119.26 117.02 3ia2 h ALA 258 Ca 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3ia2 h ALA 258 Cb 1.44 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 3ia2 h ALA 258 CO 0.61 -0.56 0.18 0.37 0.00 0.00 0.00 179.25 179.86 3ia2 h GLN 259 N -0.13 0.69 -0.70 0.00 4.15 -1.90 0.12 115.11 117.33 3ia2 h GLN 259 Ca 0.10 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ia2 h GLN 259 Cb 0.28 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 3ia2 h GLN 259 CO -0.24 0.63 0.43 0.37 -1.93 0.00 0.00 178.83 178.09 3ia2 h GLN 260 N 0.60 0.95 -0.34 1.69 4.15 -1.92 -1.46 115.11 118.78 3ia2 h GLN 260 Ca 0.15 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3ia2 h GLN 260 Cb 0.20 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3ia2 h GLN 260 CO -0.01 0.67 0.10 1.25 -1.93 0.00 0.00 178.83 178.90 3ia2 h LEU 261 N 0.96 0.50 -0.41 -2.39 5.85 -0.84 -1.17 115.31 117.82 3ia2 h LEU 261 Ca 0.25 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3ia2 h LEU 261 Cb -0.05 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.79 3ia2 h LEU 261 CO -0.05 0.58 0.04 0.78 -0.34 0.00 0.00 178.44 179.45 3ia2 h ASN 262 N 0.40 -0.08 -0.22 1.25 2.35 -0.42 -0.16 115.58 118.70 3ia2 h ASN 262 Ca 0.11 0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.82 3ia2 h ASN 262 Cb 0.26 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 3ia2 h ASN 262 CO -0.00 -0.00 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.18 3ia2 h GLU 263 N 0.16 0.70 -0.40 0.81 5.08 -1.15 -1.91 114.58 117.87 3ia2 h GLU 263 Ca 0.20 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 3ia2 h GLU 263 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ia2 h GLU 263 CO -0.30 0.89 -0.24 -0.44 -1.00 0.00 0.00 179.01 177.92 3ia2 h ASP 264 N 0.61 0.85 -0.40 1.42 3.32 -0.78 -1.16 116.42 120.28 3ia2 h ASP 264 Ca 0.08 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 3ia2 h ASP 264 Cb 0.76 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3ia2 h ASP 264 CO 0.06 1.06 0.15 -0.07 -1.72 0.00 0.00 179.24 178.72 3ia2 h LEU 265 N 0.72 0.55 -0.59 1.55 3.38 -0.85 -1.46 115.31 118.62 3ia2 h LEU 265 Ca 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3ia2 h LEU 265 Cb 0.78 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 3ia2 h LEU 265 CO 0.06 0.58 0.35 0.25 0.09 0.00 0.00 178.44 179.77 3ia2 h LEU 266 N 0.50 0.71 -0.77 1.67 5.85 -1.22 -1.40 115.31 120.65 3ia2 h LEU 266 Ca 0.13 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ia2 h LEU 266 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3ia2 h LEU 266 CO -0.01 0.57 0.29 0.00 -0.34 0.00 0.00 178.44 178.94 3ia2 h ALA 267 N 1.17 1.00 -0.44 1.25 0.00 -1.08 -1.35 119.26 119.82 3ia2 h ALA 267 Ca 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ia2 h ALA 267 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3ia2 h ALA 267 CO -0.04 0.65 0.20 0.35 0.00 0.00 0.00 179.25 180.40 3ia2 h PHE 268 N 1.12 0.65 -0.29 0.00 3.57 -0.95 -1.96 116.94 119.08 3ia2 h PHE 268 Ca 0.25 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3ia2 h PHE 268 Cb 0.25 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3ia2 h PHE 268 CO 0.02 0.54 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.56 3ia2 h LEU 269 N 0.57 0.42 -1.51 0.59 3.38 -0.90 -2.68 115.31 115.18 3ia2 h LEU 269 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ia2 h LEU 269 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ia2 h LEU 269 CO -0.02 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.30 3ia2 n LYS 270 N -4.30 1.98 0.00 1.13 5.02 -0.54 -5.11 118.16 116.34 3ia2 n LYS 270 Ca 0.01 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 3ia2 n LYS 270 Cb 0.23 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3ia2 n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77