#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ia1 h LEU 1 N 0.00 0.98 -0.34 1.04 3.38 -2.05 -0.97 115.31 117.35 2ia1 h LEU 1 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2ia1 h LEU 1 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2ia1 h LEU 1 CO 0.00 0.76 0.21 -0.08 0.09 0.00 0.00 178.44 179.42 2ia1 h GLU 2 N 1.12 0.45 -0.49 1.13 4.81 -2.05 0.30 114.58 119.85 2ia1 h GLU 2 Ca 0.29 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2ia1 h GLU 2 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2ia1 h GLU 2 CO -0.05 0.32 -0.13 0.87 -0.73 0.00 0.00 179.01 179.29 2ia1 h LYS 3 N 0.45 0.93 -0.54 1.92 1.57 -1.94 -1.37 116.57 117.58 2ia1 h LYS 3 Ca 0.12 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 2ia1 h LYS 3 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2ia1 h LYS 3 CO -0.02 1.00 -0.04 1.96 -0.57 0.00 0.00 179.45 181.77 2ia1 h GLN 4 N 0.83 0.98 -0.15 3.15 1.08 -0.85 -1.73 115.11 118.41 2ia1 h GLN 4 Ca 0.13 -0.33 -0.14 0.00 -1.45 0.00 0.00 58.65 56.85 2ia1 h GLN 4 Cb 0.67 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2ia1 h GLN 4 CO 0.05 1.01 -0.51 0.97 -0.95 0.00 0.00 178.83 179.39 2ia1 h ILE 5 N 0.86 1.33 0.00 2.54 2.10 -0.79 -2.67 117.51 120.88 2ia1 h ILE 5 Ca 0.15 -1.75 -0.06 0.00 1.08 0.00 0.00 64.86 64.27 2ia1 h ILE 5 Cb 0.59 1.77 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 2ia1 h ILE 5 CO 0.04 0.53 -0.30 -0.33 -1.08 0.00 0.00 178.15 177.01 2ia1 h GLU 6 N 0.33 0.00 -0.32 2.19 5.08 -1.07 -1.55 114.58 119.23 2ia1 h GLU 6 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2ia1 h GLU 6 Cb 1.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 2ia1 h GLU 6 CO 0.09 0.30 -0.09 0.77 -1.00 0.00 0.00 179.01 179.08 2ia1 h SER 7 N 0.00 0.52 -0.39 1.42 0.02 -0.97 -0.35 113.55 113.79 2ia1 h SER 7 Ca -0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 2ia1 h SER 7 Cb 0.58 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2ia1 h SER 7 CO 0.04 0.65 0.05 1.88 -1.14 0.00 0.00 176.83 178.32 2ia1 h TYR 8 N 0.50 0.70 -0.79 3.45 -1.99 -1.15 -0.66 116.97 117.02 2ia1 h TYR 8 Ca 0.10 -0.10 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 2ia1 h TYR 8 Cb 0.47 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.97 2ia1 h TYR 8 CO 0.02 0.70 0.46 1.88 -0.00 0.00 0.00 178.16 181.21 2ia1 h TYR 9 N 0.50 1.06 -0.41 4.88 0.05 -0.97 -0.80 116.97 121.27 2ia1 h TYR 9 Ca 0.12 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.74 2ia1 h TYR 9 Cb 0.38 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2ia1 h TYR 9 CO 0.03 0.72 -0.32 0.37 -1.05 0.00 0.00 178.16 177.90 2ia1 h GLN 10 N 1.10 0.94 -0.46 4.88 5.75 -0.90 -1.17 115.11 125.25 2ia1 h GLN 10 Ca 0.28 -0.45 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 2ia1 h GLN 10 Cb -0.02 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2ia1 h GLN 10 CO -0.05 1.11 -0.05 1.49 -2.65 0.00 0.00 178.83 178.68 2ia1 h GLU 11 N 0.78 0.84 -0.30 1.69 4.81 -0.62 0.00 114.58 121.78 2ia1 h GLU 11 Ca 0.08 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2ia1 h GLU 11 Cb 0.90 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2ia1 h GLU 11 CO 0.08 0.92 0.13 0.82 -0.73 0.00 0.00 179.01 180.23 2ia1 h ILE 12 N 0.68 1.17 -0.66 2.32 2.04 -1.14 -1.41 117.51 120.51 2ia1 h ILE 12 Ca 0.12 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2ia1 h ILE 12 Cb 0.57 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 2ia1 h ILE 12 CO 0.03 0.18 0.43 0.00 0.00 0.00 0.00 178.15 178.79 2ia1 h ALA 13 N 0.97 0.85 -0.70 1.87 0.00 -0.98 -1.73 119.26 119.54 2ia1 h ALA 13 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2ia1 h ALA 13 Cb 0.17 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2ia1 h ALA 13 CO -0.01 0.22 0.20 0.37 0.00 0.00 0.00 179.25 180.03 2ia1 h GLN 14 N 0.85 1.10 -0.61 0.00 5.75 -0.77 0.25 115.11 121.69 2ia1 h GLN 14 Ca 0.25 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 2ia1 h GLN 14 Cb -0.04 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 2ia1 h GLN 14 CO -0.08 0.95 0.07 -0.07 -2.65 0.00 0.00 178.83 177.05 2ia1 h LEU 15 N 1.05 0.96 -0.19 -2.39 3.38 -0.80 0.59 115.31 117.91 2ia1 h LEU 15 Ca 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2ia1 h LEU 15 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2ia1 h LEU 15 CO -0.00 0.98 0.00 0.40 0.09 0.00 0.00 178.44 179.90 2ia1 h ILE 16 N 0.94 1.25 -0.98 1.22 2.04 -0.93 -2.74 117.51 118.32 2ia1 h ILE 16 Ca 0.18 -0.86 0.14 0.00 1.00 0.00 0.00 64.86 65.33 2ia1 h ILE 16 Cb 0.45 1.45 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 2ia1 h ILE 16 CO 0.02 0.26 0.60 0.40 0.00 0.00 0.00 178.15 179.42 2ia1 h ILE 17 N 0.09 0.83 0.00 -0.67 2.04 -0.16 -0.51 117.51 119.14 2ia1 h ILE 17 Ca 0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2ia1 h ILE 17 Cb 0.39 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2ia1 h ILE 17 CO 0.01 0.16 -0.06 0.44 0.00 0.00 0.00 178.15 178.70 2ia1 h ASP 18 N 0.88 0.00 0.89 1.72 3.32 -0.60 -2.16 116.42 120.47 2ia1 h ASP 18 Ca 0.52 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.38 2ia1 h ASP 18 Cb 0.63 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2ia1 h ASP 18 CO -0.31 0.06 -1.20 0.24 -1.72 0.00 0.00 179.24 176.31 2ia1 h MET 19 N 0.00 0.00 -6.46 3.56 2.86 -0.87 -3.46 114.93 110.56 2ia1 h MET 19 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2ia1 h MET 19 Cb 0.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.80 2ia1 h MET 19 CO 0.01 0.47 0.80 0.42 1.06 0.00 0.00 176.91 179.67 2ia1 s ILE 20 N -2.85 3.45 -2.50 -1.22 1.01 -0.81 -4.91 121.20 113.36 2ia1 s ILE 20 Ca -0.01 0.95 0.24 0.00 0.00 0.00 0.00 60.65 61.83 2ia1 s ILE 20 Cb 0.08 -3.61 0.44 0.00 0.01 0.00 0.00 42.46 39.39 2ia1 s ILE 20 CO 0.80 0.03 1.55 -0.81 0.00 0.00 0.00 174.94 176.52 2ia1 n PRO 21 N 4.74 1.91 -4.06 2.79 -0.04 -1.26 -4.95 135.00 134.13 2ia1 n PRO 21 Ca 0.13 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 2ia1 n PRO 21 Cb 0.43 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2ia1 n PRO 21 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ia1 s GLU 22 N -1.86 1.54 0.41 0.54 -1.05 -1.26 -5.11 118.70 111.92 2ia1 s GLU 22 Ca 0.35 -1.42 -0.26 0.00 -0.15 0.00 0.00 54.97 53.49 2ia1 s GLU 22 Cb 0.20 0.42 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 2ia1 s GLU 22 CO 0.30 -0.62 1.29 0.39 0.95 0.00 0.00 175.26 177.57 2ia1 n GLU 23 N -0.39 1.99 -4.03 -4.83 1.02 -1.26 -4.95 120.64 108.19 2ia1 n GLU 23 Ca -0.00 0.71 -0.09 0.00 -0.02 0.00 0.00 57.16 57.75 2ia1 n GLU 23 Cb 0.63 -2.40 -0.11 0.00 -0.02 0.00 0.00 31.44 29.54 2ia1 n GLU 23 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2ia1 s TRP 24 N -1.18 0.40 -0.19 -0.32 1.48 -1.26 -1.64 118.94 116.23 2ia1 s TRP 24 Ca 0.60 -0.70 0.09 0.00 -1.06 0.00 0.00 56.10 55.03 2ia1 s TRP 24 Cb -0.51 -0.28 -0.18 0.00 -1.16 0.00 0.00 33.47 31.33 2ia1 s TRP 24 CO 0.59 -0.23 -0.05 0.00 -4.06 0.00 0.00 176.95 173.19 2ia1 n ALA 25 N 1.07 1.55 -3.48 2.67 0.00 0.63 -4.63 120.51 118.33 2ia1 n ALA 25 Ca -0.20 -1.05 -0.16 0.00 0.00 0.00 0.00 53.44 52.02 2ia1 n ALA 25 Cb 0.57 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 2ia1 n ALA 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ia1 s GLU 26 N -2.43 0.93 -0.01 0.00 2.12 -1.24 -1.93 118.70 116.15 2ia1 s GLU 26 Ca -0.18 0.31 0.04 0.00 0.36 0.00 0.00 54.97 55.50 2ia1 s GLU 26 Cb 0.06 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 2ia1 s GLU 26 CO 0.62 -0.26 -0.12 0.08 -0.54 0.00 0.00 175.26 175.04 2ia1 s VAL 27 N -0.91 0.97 -0.11 3.70 1.01 0.21 -1.08 120.40 124.18 2ia1 s VAL 27 Ca -0.09 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.38 2ia1 s VAL 27 Cb -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.55 2ia1 s VAL 27 CO 0.07 0.27 -0.22 -0.13 0.00 0.00 0.00 175.10 175.09 2ia1 s ARG 28 N -0.31 2.84 -0.02 2.72 0.52 -0.26 -1.16 118.95 123.29 2ia1 s ARG 28 Ca 0.05 -0.80 0.07 0.00 -0.52 0.00 0.00 55.73 54.52 2ia1 s ARG 28 Cb -0.05 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 2ia1 s ARG 28 CO -0.00 0.09 -0.23 0.12 0.02 0.00 0.00 175.30 175.30 2ia1 s PHE 29 N 0.55 2.08 -0.06 -0.53 5.36 0.30 -1.22 117.98 124.46 2ia1 s PHE 29 Ca -0.14 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 2ia1 s PHE 29 Cb -0.17 -1.34 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 2ia1 s PHE 29 CO 0.05 -0.05 -0.15 -0.47 -1.46 0.00 0.00 175.22 173.14 2ia1 s TYR 30 N -0.51 1.61 0.01 10.12 5.04 -0.23 -1.35 117.35 132.04 2ia1 s TYR 30 Ca 0.08 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 54.16 2ia1 s TYR 30 Cb -0.09 -1.13 -0.01 0.00 0.35 0.00 0.00 41.96 41.08 2ia1 s TYR 30 CO -0.01 -0.25 -0.03 0.00 -1.34 0.00 0.00 175.55 173.92 2ia1 s ALA 31 N 0.43 0.23 -0.11 3.97 0.00 -0.60 -1.26 121.76 124.42 2ia1 s ALA 31 Ca -0.11 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 2ia1 s ALA 31 Cb -0.14 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.02 2ia1 s ALA 31 CO 0.04 -0.00 0.27 -1.14 0.00 0.00 0.00 175.76 174.92 2ia1 s GLN 32 N -0.54 0.26 -0.12 0.00 0.74 0.56 -0.31 119.66 120.25 2ia1 s GLN 32 Ca -0.04 0.48 -0.09 0.00 0.05 0.00 0.00 55.36 55.76 2ia1 s GLN 32 Cb -0.04 0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.11 2ia1 s GLN 32 CO -0.00 -0.11 0.29 -2.00 -0.55 0.00 0.00 175.29 172.92 2ia1 s GLU 33 N 0.79 0.31 0.14 1.67 2.12 -0.58 -1.53 118.70 121.62 2ia1 s GLU 33 Ca -0.05 0.49 0.02 0.00 0.36 0.00 0.00 54.97 55.78 2ia1 s GLU 33 Cb -0.07 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.41 2ia1 s GLU 33 CO -0.05 -0.09 0.15 -0.40 -0.54 0.00 0.00 175.26 174.33 2ia1 n ASP 34 N 3.43 0.93 0.20 -1.70 5.68 -0.80 -4.55 116.55 119.75 2ia1 n ASP 34 Ca -0.17 -1.41 0.05 0.00 -0.50 0.00 0.00 54.79 52.75 2ia1 n ASP 34 Cb 0.56 -0.06 0.43 0.00 -1.14 0.00 0.00 41.12 40.92 2ia1 n ASP 34 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 2ia1 h HIS 35 N 0.26 0.00 -0.36 2.11 3.86 -1.96 -2.19 115.15 116.87 2ia1 h HIS 35 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2ia1 h HIS 35 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2ia1 h HIS 35 CO 0.00 0.31 0.00 -0.25 0.86 0.00 0.00 177.93 178.85 2ia1 n ASP 36 N -3.99 2.40 0.00 2.45 8.00 -1.26 -4.93 116.55 119.22 2ia1 n ASP 36 Ca -0.02 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2ia1 n ASP 36 Cb 0.37 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2ia1 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ia1 n GLY 37 N 1.26 0.94 3.73 0.44 0.00 -0.82 -5.04 105.19 105.69 2ia1 n GLY 37 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2ia1 n GLY 37 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ia1 s TRP 38 N -2.77 3.68 -0.01 1.61 -0.00 -1.26 -4.75 118.94 115.45 2ia1 s TRP 38 Ca 0.00 1.67 0.03 0.00 -0.00 0.00 0.00 56.10 57.81 2ia1 s TRP 38 Cb 0.00 -3.18 -0.01 0.00 -0.00 0.00 0.00 33.47 30.28 2ia1 s TRP 38 CO 0.00 -0.26 -0.11 0.21 -0.00 0.00 0.00 176.95 176.79 2ia1 s LYS 39 N -0.03 0.89 -0.02 5.86 2.20 -1.26 -1.90 119.74 125.48 2ia1 s LYS 39 Ca 0.49 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2ia1 s LYS 39 Cb -0.26 -0.86 0.00 0.00 -1.51 0.00 0.00 37.83 35.20 2ia1 s LYS 39 CO 0.32 0.24 -0.10 0.42 -0.36 0.00 0.00 175.35 175.86 2ia1 s ILE 40 N -0.30 0.87 -0.08 5.43 1.01 -0.58 -5.01 121.20 122.54 2ia1 s ILE 40 Ca 0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.05 2ia1 s ILE 40 Cb -0.04 -0.76 0.05 0.00 0.01 0.00 0.00 42.46 41.71 2ia1 s ILE 40 CO -0.00 0.26 0.51 0.72 0.00 0.00 0.00 174.94 176.43 2ia1 s PHE 41 N 0.09 -0.48 0.09 3.97 -0.12 -1.26 -0.33 117.98 119.94 2ia1 s PHE 41 Ca -0.02 0.93 -0.26 0.00 -0.05 0.00 0.00 56.93 57.53 2ia1 s PHE 41 Cb -0.08 0.24 0.08 0.00 -0.63 0.00 0.00 43.02 42.64 2ia1 s PHE 41 CO 0.00 -0.44 0.79 -0.59 -0.05 0.00 0.00 175.22 174.93 2ia1 s PHE 42 N -0.81 -0.38 0.11 3.49 -0.12 -0.39 -5.01 117.98 114.87 2ia1 s PHE 42 Ca -0.09 0.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 2ia1 s PHE 42 Cb -0.03 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.89 2ia1 s PHE 42 CO 0.05 -0.72 -0.06 -0.59 -0.05 0.00 0.00 175.22 173.85 2ia1 s PHE 43 N -3.40 0.94 0.14 3.49 -0.12 -1.26 -1.06 117.98 116.70 2ia1 s PHE 43 Ca 0.05 -0.91 0.08 0.00 -0.05 0.00 0.00 56.93 56.09 2ia1 s PHE 43 Cb -0.01 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 2ia1 s PHE 43 CO -0.08 -0.14 -0.17 -1.01 -0.05 0.00 0.00 175.22 173.77 2ia1 s HIS 44 N -3.61 1.69 0.05 3.49 3.76 -0.36 -1.36 115.29 118.95 2ia1 s HIS 44 Ca 0.13 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 2ia1 s HIS 44 Cb 0.05 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.85 2ia1 s HIS 44 CO -0.04 0.26 -0.07 1.52 -0.85 0.00 0.00 174.74 175.56 2ia1 s TYR 45 N -1.95 0.68 -0.29 1.40 -0.85 -0.44 -1.10 117.35 114.80 2ia1 s TYR 45 Ca 0.12 -0.59 -0.10 0.00 -0.52 0.00 0.00 57.07 55.98 2ia1 s TYR 45 Cb -0.06 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.84 2ia1 s TYR 45 CO 0.05 -0.11 0.17 -1.17 -1.52 0.00 0.00 175.55 172.97 2ia1 s LEU 46 N -1.88 4.00 0.26 -3.49 2.96 -0.24 -0.39 118.68 119.91 2ia1 s LEU 46 Ca -0.06 -0.19 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 2ia1 s LEU 46 Cb -0.07 -2.07 -0.10 0.00 0.50 0.00 0.00 46.19 44.46 2ia1 s LEU 46 CO -0.01 -0.10 1.32 -0.55 -1.32 0.00 0.00 176.35 175.69 2ia1 s SER 47 N 1.71 6.84 0.13 3.68 0.15 -0.32 -0.27 113.70 125.62 2ia1 s SER 47 Ca 0.06 2.55 -0.10 0.00 0.70 0.00 0.00 55.95 59.16 2ia1 s SER 47 Cb -0.16 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.46 2ia1 s SER 47 CO 0.09 -0.53 1.41 0.00 1.20 0.00 0.00 173.24 175.41 2ia1 h ALA 48 N 4.43 0.48 0.00 5.45 0.00 -1.59 -2.10 119.26 125.94 2ia1 h ALA 48 Ca -0.47 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 2ia1 h ALA 48 Cb 1.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ia1 h ALA 48 CO 0.72 0.68 -0.07 0.66 0.00 0.00 0.00 179.25 181.24 2ia1 h SER 49 N 0.62 0.00 1.45 0.00 4.64 -1.93 -3.38 113.55 114.96 2ia1 h SER 49 Ca 0.01 -0.97 -0.01 0.00 -0.47 0.00 0.00 61.79 60.34 2ia1 h SER 49 Cb 1.18 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2ia1 h SER 49 CO 0.12 1.03 -0.55 0.77 -0.87 0.00 0.00 176.83 177.33 2ia1 h SER 50 N -1.00 0.00 -3.22 4.97 4.64 -1.96 -3.47 113.55 113.51 2ia1 h SER 50 Ca -0.02 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.91 2ia1 h SER 50 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2ia1 h SER 50 CO -0.01 0.04 -0.53 -0.67 -0.87 0.00 0.00 176.83 174.80 2ia1 n ASP 51 N -2.90 -5.73 -4.54 4.97 2.03 -0.79 -5.00 116.55 104.59 2ia1 n ASP 51 Ca 0.01 -0.09 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 2ia1 n ASP 51 Cb 0.56 -4.70 -0.11 0.00 -0.72 0.00 0.00 41.12 36.15 2ia1 n ASP 51 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2ia1 s GLU 52 N -5.17 2.07 0.19 -0.67 2.02 -1.26 -4.87 118.70 111.02 2ia1 s GLU 52 Ca 0.08 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.77 2ia1 s GLU 52 Cb -0.04 -2.26 -0.08 0.00 0.10 0.00 0.00 34.13 31.85 2ia1 s GLU 52 CO 0.10 0.51 0.85 -1.58 0.02 0.00 0.00 175.26 175.17 2ia1 s TRP 53 N -1.14 3.94 -0.03 1.61 0.52 -1.26 -1.17 118.94 121.41 2ia1 s TRP 53 Ca 0.19 1.76 0.06 0.00 0.02 0.00 0.00 56.10 58.13 2ia1 s TRP 53 Cb -0.11 -2.87 -0.01 0.00 -1.15 0.00 0.00 33.47 29.33 2ia1 s TRP 53 CO 0.11 0.48 -0.22 0.99 0.02 0.00 0.00 176.95 178.34 2ia1 s THR 54 N -1.12 1.73 0.25 2.01 2.01 0.48 -4.96 115.64 116.05 2ia1 s THR 54 Ca 0.38 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2ia1 s THR 54 Cb -0.24 -1.45 -0.09 0.00 0.01 0.00 0.00 72.50 70.72 2ia1 s THR 54 CO 0.29 0.49 1.05 -0.54 -0.69 0.00 0.00 174.62 175.22 2ia1 s LYS 55 N -0.31 4.69 0.26 4.92 1.02 -1.26 -1.33 119.74 127.74 2ia1 s LYS 55 Ca 0.03 1.70 -0.04 0.00 0.02 0.00 0.00 55.97 57.68 2ia1 s LYS 55 Cb -0.10 -3.23 0.54 0.00 -0.52 0.00 0.00 37.83 34.52 2ia1 s LYS 55 CO 0.01 0.28 1.63 0.38 -0.92 0.00 0.00 175.35 176.73 2ia1 h ASP 56 N 4.12 -0.27 0.18 2.83 3.04 -1.60 -0.61 116.42 124.11 2ia1 h ASP 56 Ca -0.46 0.20 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 2ia1 h ASP 56 Cb 1.21 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 39.83 2ia1 h ASP 56 CO 0.68 -0.19 0.00 2.30 -2.04 0.00 0.00 179.24 179.99 2ia1 n ILE 57 N -5.33 1.46 0.95 4.15 -5.35 -1.26 -1.54 119.36 112.45 2ia1 n ILE 57 Ca 0.16 0.47 0.11 0.00 -0.27 0.00 0.00 62.75 63.22 2ia1 n ILE 57 Cb 0.55 -1.41 -0.03 0.00 -1.74 0.00 0.00 39.64 37.02 2ia1 n ILE 57 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2ia1 n ASP 58 N -1.73 0.83 -0.01 7.28 8.00 -0.24 -4.29 116.55 126.39 2ia1 n ASP 58 Ca 0.01 -0.75 -0.00 0.00 0.71 0.00 0.00 54.79 54.75 2ia1 n ASP 58 Cb 0.07 0.84 0.30 0.00 -0.02 0.00 0.00 41.12 42.31 2ia1 n ASP 58 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ia1 h ILE 59 N 0.00 1.19 0.00 0.53 2.04 -1.25 -2.81 117.51 117.22 2ia1 h ILE 59 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2ia1 h ILE 59 Cb 0.53 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2ia1 h ILE 59 CO 0.00 0.26 0.00 0.03 0.00 0.00 0.00 178.15 178.44 2ia1 h ARG 60 N 0.53 0.00 0.00 2.37 3.08 -1.75 -0.41 114.38 118.20 2ia1 h ARG 60 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2ia1 h ARG 60 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2ia1 h ARG 60 CO 0.01 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 178.47 2ia1 h ASP 61 N 0.00 0.00 0.00 7.04 3.32 -1.78 -3.33 116.42 121.67 2ia1 h ASP 61 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ia1 h ASP 61 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2ia1 h ASP 61 CO 0.00 0.00 -0.63 1.33 -1.72 0.00 0.00 179.24 178.22 2ia1 n VAL 62 N -2.69 0.00 -1.65 -1.35 0.24 -0.21 -5.06 118.33 107.61 2ia1 n VAL 62 Ca 0.03 -0.26 -0.35 0.00 -2.04 0.00 0.00 64.34 61.72 2ia1 n VAL 62 Cb 0.39 0.73 0.07 0.00 -1.47 0.00 0.00 33.84 33.56 2ia1 n VAL 62 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2ia1 s ILE 63 N -1.76 2.27 -0.34 1.34 -4.36 -0.91 -4.92 121.20 112.52 2ia1 s ILE 63 Ca 0.00 0.15 0.14 0.00 -0.26 0.00 0.00 60.65 60.68 2ia1 s ILE 63 Cb 0.02 -2.90 -0.18 0.00 1.25 0.00 0.00 42.46 40.65 2ia1 s ILE 63 CO 0.14 -0.05 0.45 0.29 0.24 0.00 0.00 174.94 176.01 2ia1 n LYS 64 N -2.23 1.50 -2.53 0.37 5.02 -1.26 -4.99 118.16 114.04 2ia1 n LYS 64 Ca 0.14 -0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 56.11 2ia1 n LYS 64 Cb 0.49 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 34.29 2ia1 n LYS 64 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ia1 s VAL 65 N -2.62 4.11 0.42 -0.18 -7.23 -1.26 -5.02 120.40 108.61 2ia1 s VAL 65 Ca 0.00 0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 59.94 2ia1 s VAL 65 Cb 0.10 -3.59 -0.10 0.00 0.56 0.00 0.00 36.38 33.34 2ia1 s VAL 65 CO 0.57 -0.58 1.23 -2.65 -0.31 0.00 0.00 175.10 173.36 2ia1 n PRO 66 N -2.43 1.84 -0.20 4.82 -0.02 -1.26 -4.88 135.00 132.87 2ia1 n PRO 66 Ca 0.03 0.65 0.08 0.00 -2.02 0.00 0.00 63.50 62.24 2ia1 n PRO 66 Cb 0.57 -2.32 0.37 0.00 -0.02 0.00 0.00 33.50 32.10 2ia1 n PRO 66 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2ia1 h GLN 67 N 2.01 0.70 -0.03 -0.52 1.08 -1.97 -0.06 115.11 116.31 2ia1 h GLN 67 Ca -0.47 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 2ia1 h GLN 67 Cb 1.30 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2ia1 h GLN 67 CO 0.60 0.46 0.02 -0.44 -0.95 0.00 0.00 178.83 178.52 2ia1 h ASP 68 N 0.72 0.00 -0.59 1.46 3.32 -1.98 -0.16 116.42 119.18 2ia1 h ASP 68 Ca 0.34 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 2ia1 h ASP 68 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2ia1 h ASP 68 CO -0.12 0.00 0.04 -0.33 -1.72 0.00 0.00 179.24 177.11 2ia1 h GLU 69 N 0.00 1.04 -0.32 3.56 5.08 -1.35 0.55 114.58 123.13 2ia1 h GLU 69 Ca 0.02 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2ia1 h GLU 69 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2ia1 h GLU 69 CO -0.00 0.99 -0.09 0.35 -1.00 0.00 0.00 179.01 179.26 2ia1 h PHE 70 N 0.96 0.70 -0.33 4.33 3.57 -1.26 -2.88 116.94 122.03 2ia1 h PHE 70 Ca 0.18 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 2ia1 h PHE 70 Cb 0.50 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ia1 h PHE 70 CO 0.03 0.81 -0.08 0.52 -2.23 0.00 0.00 178.31 177.37 2ia1 h MET 71 N 0.40 0.55 -0.24 1.11 2.86 -0.92 -0.45 114.93 118.24 2ia1 h MET 71 Ca 0.08 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2ia1 h MET 71 Cb 0.59 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2ia1 h MET 71 CO 0.03 0.63 0.07 1.49 1.06 0.00 0.00 176.91 180.19 2ia1 h GLU 72 N 0.51 0.17 -0.89 1.72 4.81 -0.81 0.25 114.58 120.34 2ia1 h GLU 72 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2ia1 h GLU 72 Cb 0.45 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 2ia1 h GLU 72 CO 0.02 0.11 0.46 0.87 -0.73 0.00 0.00 179.01 179.74 2ia1 h LYS 73 N 0.17 1.25 -0.32 1.92 1.79 -1.15 -0.39 116.57 119.84 2ia1 h LYS 73 Ca 0.11 -0.16 0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2ia1 h LYS 73 Cb 0.09 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 2ia1 h LYS 73 CO -0.12 0.93 0.17 -0.92 -1.08 0.00 0.00 179.45 178.43 2ia1 h TYR 74 N 1.25 0.31 -0.69 -1.35 3.20 -0.72 0.32 116.97 119.30 2ia1 h TYR 74 Ca 0.31 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.13 2ia1 h TYR 74 Cb 0.07 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2ia1 h TYR 74 CO 0.01 0.17 0.18 -0.91 -1.64 0.00 0.00 178.16 175.97 2ia1 h ASN 75 N 0.34 1.01 0.29 -2.11 2.35 -0.61 0.28 115.58 117.14 2ia1 h ASN 75 Ca 0.13 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2ia1 h ASN 75 Cb 0.04 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2ia1 h ASN 75 CO -0.09 0.96 -0.32 -0.33 -1.65 0.00 0.00 177.43 176.00 2ia1 h GLU 76 N 1.03 0.06 -0.03 0.81 5.08 -0.40 -0.38 114.58 120.75 2ia1 h GLU 76 Ca 0.22 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2ia1 h GLU 76 Cb 0.34 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2ia1 h GLU 76 CO -0.00 0.38 -0.44 1.25 -1.00 0.00 0.00 179.01 179.20 2ia1 h LEU 77 N 0.06 0.45 -0.76 1.33 5.85 -0.58 -2.18 115.31 119.47 2ia1 h LEU 77 Ca 0.01 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.04 2ia1 h LEU 77 Cb 0.60 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2ia1 h LEU 77 CO 0.04 1.10 0.48 -1.28 -0.34 0.00 0.00 178.44 178.45 2ia1 h SER 78 N -0.16 0.80 -0.56 1.25 0.87 -0.67 -1.35 113.55 113.74 2ia1 h SER 78 Ca -0.05 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 2ia1 h SER 78 Cb 1.14 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.90 2ia1 h SER 78 CO 0.09 0.56 -0.07 0.15 -0.53 0.00 0.00 176.83 177.03 2ia1 h PHE 79 N 0.95 1.14 -0.81 2.24 3.57 -1.14 -2.84 116.94 120.06 2ia1 h PHE 79 Ca 0.30 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2ia1 h PHE 79 Cb 0.00 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 38.40 2ia1 h PHE 79 CO -0.03 1.04 0.51 0.00 -2.23 0.00 0.00 178.31 177.59 2ia1 h ILE 81 N 0.96 0.76 -0.30 0.00 2.04 -1.09 0.13 117.51 120.00 2ia1 h ILE 81 Ca 0.34 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 66.01 2ia1 h ILE 81 Cb 0.08 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2ia1 h ILE 81 CO -0.14 0.01 -0.49 0.28 0.00 0.00 0.00 178.15 177.81 2ia1 h SER 82 N 0.05 0.91 -0.52 1.72 0.02 -1.11 -1.31 113.55 113.31 2ia1 h SER 82 Ca 0.14 -0.46 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 2ia1 h SER 82 Cb 0.20 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2ia1 h SER 82 CO -0.26 1.24 0.04 -0.78 -1.14 0.00 0.00 176.83 175.94 2ia1 h ASP 83 N 0.66 0.86 -0.27 3.07 3.58 -0.42 -1.64 116.42 122.26 2ia1 h ASP 83 Ca 0.03 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2ia1 h ASP 83 Cb 1.08 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2ia1 h ASP 83 CO 0.11 0.93 0.17 0.15 -2.88 0.00 0.00 179.24 177.72 2ia1 h PHE 84 N 0.77 0.35 -0.55 0.28 3.57 -0.69 -1.52 116.94 119.15 2ia1 h PHE 84 Ca 0.15 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2ia1 h PHE 84 Cb 0.46 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 2ia1 h PHE 84 CO 0.03 0.24 0.28 -0.09 -2.23 0.00 0.00 178.31 176.55 2ia1 h ARG 85 N 0.36 0.53 0.01 1.11 2.43 -0.95 0.19 114.38 118.05 2ia1 h ARG 85 Ca 0.10 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2ia1 h ARG 85 Cb -0.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 2ia1 h ARG 85 CO -0.02 0.35 -0.00 0.87 -1.51 0.00 0.00 179.97 179.66 2ia1 h LYS 86 N 0.55 -0.01 -0.85 0.20 1.57 -1.03 -0.16 116.57 116.84 2ia1 h LYS 86 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2ia1 h LYS 86 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2ia1 h LYS 86 CO -0.16 0.10 0.45 0.22 -0.57 0.00 0.00 179.45 179.49 2ia1 h ASP 87 N -0.11 1.08 -0.56 0.86 3.58 -0.87 0.20 116.42 120.59 2ia1 h ASP 87 Ca -0.00 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 2ia1 h ASP 87 Cb 0.11 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2ia1 h ASP 87 CO 0.00 0.88 0.24 0.22 -2.88 0.00 0.00 179.24 177.70 2ia1 h TYR 88 N 1.19 0.84 -0.59 0.28 3.20 -0.48 -2.03 116.97 119.39 2ia1 h TYR 88 Ca 0.30 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2ia1 h TYR 88 Cb 0.05 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.04 2ia1 h TYR 88 CO 0.01 0.67 0.27 0.00 -1.64 0.00 0.00 178.16 177.47 2ia1 h ALA 89 N 1.09 0.76 -0.59 1.82 0.00 -0.40 0.19 119.26 122.12 2ia1 h ALA 89 Ca 0.19 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2ia1 h ALA 89 Cb 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2ia1 h ALA 89 CO -0.02 0.33 0.33 0.93 0.00 0.00 0.00 179.25 180.83 2ia1 h GLU 90 N 0.80 0.61 0.02 0.00 4.39 -0.90 0.10 114.58 119.61 2ia1 h GLU 90 Ca 0.20 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 2ia1 h GLU 90 Cb 0.14 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2ia1 h GLU 90 CO -0.02 0.41 -0.33 0.00 -1.16 0.00 0.00 179.01 177.91 2ia1 h ALA 91 N 1.29 0.02 -0.14 3.43 0.00 -1.10 -3.35 119.26 119.42 2ia1 h ALA 91 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ia1 h ALA 91 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ia1 h ALA 91 CO -0.15 0.14 0.00 0.34 0.00 0.00 0.00 179.25 179.58 2ia1 n PHE 92 N -4.44 0.16 -0.00 0.00 7.35 0.63 -4.97 117.46 116.19 2ia1 n PHE 92 Ca -0.10 -0.08 0.00 0.00 -0.76 0.00 0.00 57.45 56.51 2ia1 n PHE 92 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2ia1 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2ia1 n GLY 93 N 1.26 1.33 3.28 7.13 0.00 0.36 -4.89 105.19 113.66 2ia1 n GLY 93 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2ia1 n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ia1 s GLU 94 N -0.00 0.64 0.52 1.61 -1.05 -1.19 -4.94 118.70 114.28 2ia1 s GLU 94 Ca 0.00 0.11 -0.09 0.00 -0.15 0.00 0.00 54.97 54.84 2ia1 s GLU 94 Cb 0.00 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2ia1 s GLU 94 CO 0.00 -0.15 0.88 -1.25 0.95 0.00 0.00 175.26 175.69 2ia1 s PRO 95 N -0.79 3.63 0.70 -4.83 0.04 -1.26 -4.13 135.00 128.36 2ia1 s PRO 95 Ca -0.09 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.31 2ia1 s PRO 95 Cb -0.04 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.26 2ia1 s PRO 95 CO 0.04 -0.31 1.08 1.67 0.04 0.00 0.00 177.00 179.52 2ia1 s TRP 96 N -2.82 2.81 -0.17 0.56 1.48 -1.26 -4.98 118.94 114.56 2ia1 s TRP 96 Ca 0.51 1.51 0.10 0.00 -1.06 0.00 0.00 56.10 57.16 2ia1 s TRP 96 Cb -0.10 -3.01 -0.23 0.00 -1.16 0.00 0.00 33.47 28.96 2ia1 s TRP 96 CO 0.45 -1.49 0.15 -1.33 -4.06 0.00 0.00 176.95 170.66 2ia1 n MET 97 N -2.95 0.68 -3.91 3.25 2.81 0.34 -4.82 117.12 112.51 2ia1 n MET 97 Ca 0.09 0.12 -0.08 0.00 -1.81 0.00 0.00 57.70 56.02 2ia1 n MET 97 Cb 0.53 -1.60 -0.03 0.00 -0.71 0.00 0.00 33.22 31.41 2ia1 n MET 97 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2ia1 s SER 98 N -6.03 -0.19 0.13 7.83 1.04 -0.84 -1.52 113.70 114.12 2ia1 s SER 98 Ca -0.16 -0.74 -0.14 0.00 0.48 0.00 0.00 55.95 55.39 2ia1 s SER 98 Cb 0.07 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.88 2ia1 s SER 98 CO 0.77 -1.26 0.36 0.72 0.98 0.00 0.00 173.24 174.81 2ia1 s PHE 99 N -3.96 -0.04 0.01 5.02 -0.12 0.57 -0.81 117.98 118.65 2ia1 s PHE 99 Ca 0.16 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 56.76 2ia1 s PHE 99 Cb -0.04 0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 2ia1 s PHE 99 CO 0.08 -0.70 -0.12 -0.65 -0.05 0.00 0.00 175.22 173.78 2ia1 s GLN 100 N -3.85 0.89 -0.03 1.99 -0.21 -0.51 -1.56 119.66 116.38 2ia1 s GLN 100 Ca 0.06 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.93 2ia1 s GLN 100 Cb 0.02 -0.86 0.03 0.00 1.00 0.00 0.00 33.01 33.20 2ia1 s GLN 100 CO -0.09 0.23 0.00 1.41 -2.12 0.00 0.00 175.29 174.72 2ia1 s MET 101 N -0.58 0.35 -0.10 2.91 -2.45 -0.46 -1.32 119.30 117.66 2ia1 s MET 101 Ca 0.03 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.56 2ia1 s MET 101 Cb -0.06 -0.55 -0.02 0.00 1.25 0.00 0.00 34.83 35.46 2ia1 s MET 101 CO 0.00 -0.15 -0.14 0.99 1.05 0.00 0.00 175.02 176.77 2ia1 s THR 102 N 1.14 3.05 0.06 10.11 2.01 0.38 -0.54 115.64 131.86 2ia1 s THR 102 Ca -0.08 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2ia1 s THR 102 Cb -0.13 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2ia1 s THR 102 CO -0.02 0.55 -0.05 0.72 -0.69 0.00 0.00 174.62 175.13 2ia1 s PHE 103 N -0.11 0.64 0.32 4.92 -0.12 -0.30 -0.61 117.98 122.72 2ia1 s PHE 103 Ca -0.01 -0.85 0.08 0.00 -0.05 0.00 0.00 56.93 56.09 2ia1 s PHE 103 Cb -0.14 -0.41 -0.06 0.00 -0.63 0.00 0.00 43.02 41.78 2ia1 s PHE 103 CO 0.04 -0.23 -0.07 0.71 -0.05 0.00 0.00 175.22 175.62 2ia1 s TYR 104 N -3.09 2.22 0.46 3.49 2.02 -0.21 -0.62 117.35 121.62 2ia1 s TYR 104 Ca 0.03 -0.60 0.18 0.00 -0.37 0.00 0.00 57.07 56.31 2ia1 s TYR 104 Cb 0.02 -1.30 1.15 0.00 -0.40 0.00 0.00 41.96 41.43 2ia1 s TYR 104 CO -0.05 0.44 1.96 0.00 -1.57 0.00 0.00 175.55 176.33 2ia1 h ALA 105 N 2.11 2.20 0.00 3.71 0.00 -1.65 -0.04 119.26 125.60 2ia1 h ALA 105 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ia1 h ALA 105 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ia1 h ALA 105 CO 0.70 -0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.24 2ia1 h SER 106 N 0.28 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 113.06 2ia1 h SER 106 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2ia1 h SER 106 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2ia1 h SER 106 CO -0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.50 2ia1 n GLY 107 N -0.72 1.00 3.76 -0.77 0.00 -0.03 -5.07 105.19 103.36 2ia1 n GLY 107 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2ia1 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ia1 s LYS 108 N -0.65 3.17 0.11 1.61 1.02 -1.26 -4.78 119.74 118.96 2ia1 s LYS 108 Ca 0.00 1.92 -0.13 0.00 0.02 0.00 0.00 55.97 57.77 2ia1 s LYS 108 Cb 0.00 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2ia1 s LYS 108 CO 0.00 -1.07 0.33 -0.59 -0.92 0.00 0.00 175.35 173.09 2ia1 s PHE 109 N -1.51 -0.08 0.02 3.18 -0.12 -1.26 -1.05 117.98 117.16 2ia1 s PHE 109 Ca 0.73 -0.27 0.02 0.00 -0.05 0.00 0.00 56.93 57.37 2ia1 s PHE 109 Cb -0.33 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2ia1 s PHE 109 CO 0.37 -0.64 -0.07 -0.80 -0.05 0.00 0.00 175.22 174.02 2ia1 s ASN 110 N -2.81 0.84 -0.00 1.98 -0.87 0.23 -4.99 114.94 109.31 2ia1 s ASN 110 Ca 0.03 -0.29 -0.14 0.00 -1.57 0.00 0.00 52.86 50.90 2ia1 s ASN 110 Cb 0.03 -0.04 0.02 0.00 -0.02 0.00 0.00 41.25 41.24 2ia1 s ASN 110 CO -0.12 -0.02 0.28 -0.51 -2.57 0.00 0.00 177.10 174.17 2ia1 s ILE 111 N -0.62 0.06 -0.11 0.60 2.07 -1.26 -0.47 121.20 121.46 2ia1 s ILE 111 Ca -0.02 -0.54 -0.12 0.00 -1.41 0.00 0.00 60.65 58.57 2ia1 s ILE 111 Cb -0.05 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 41.93 2ia1 s ILE 111 CO 0.00 -0.29 0.32 -1.81 -1.91 0.00 0.00 174.94 171.25 2ia1 s ASP 112 N -1.44 -0.33 0.02 4.50 1.01 -0.43 -5.01 116.67 114.99 2ia1 s ASP 112 Ca -0.13 0.62 0.01 0.00 0.71 0.00 0.00 52.55 53.77 2ia1 s ASP 112 Cb -0.05 0.64 -0.04 0.00 1.01 0.00 0.00 42.92 44.48 2ia1 s ASP 112 CO 0.03 -0.13 0.04 -0.36 0.21 0.00 0.00 175.17 174.95 2ia1 s PHE 113 N 0.07 3.15 0.12 4.23 0.08 -1.26 -1.42 117.98 122.95 2ia1 s PHE 113 Ca -0.01 0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.20 2ia1 s PHE 113 Cb -0.02 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 2ia1 s PHE 113 CO 0.01 0.50 -0.12 0.71 -0.10 0.00 0.00 175.22 176.22 2ia1 s TYR 114 N -1.19 1.26 -0.06 0.36 2.02 0.01 -4.99 117.35 114.75 2ia1 s TYR 114 Ca 0.23 -0.62 0.09 0.00 -0.37 0.00 0.00 57.07 56.39 2ia1 s TYR 114 Cb -0.12 -0.66 0.13 0.00 -0.40 0.00 0.00 41.96 40.91 2ia1 s TYR 114 CO 0.14 0.08 1.02 0.66 -1.57 0.00 0.00 175.55 175.89 2ia1 n TYR 115 N 0.43 0.00 -3.10 2.71 4.01 -1.26 -0.51 117.16 119.44 2ia1 n TYR 115 Ca -0.15 -0.52 -0.29 0.00 -0.16 0.00 0.00 57.90 56.78 2ia1 n TYR 115 Cb 0.58 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2ia1 n TYR 115 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2ia1 s ASP 116 N -1.76 6.48 0.12 7.72 1.01 -1.26 -4.82 116.67 124.17 2ia1 s ASP 116 Ca 0.14 0.92 -0.25 0.00 0.71 0.00 0.00 52.55 54.07 2ia1 s ASP 116 Cb 0.13 -2.23 -0.07 0.00 1.01 0.00 0.00 42.92 41.76 2ia1 s ASP 116 CO 0.01 -0.29 0.77 -0.54 0.21 0.00 0.00 175.17 175.33 2ia1 s LYS 117 N -3.69 4.54 -0.30 8.23 1.02 -1.26 -4.72 119.74 123.56 2ia1 s LYS 117 Ca 0.48 1.12 -0.13 0.00 0.02 0.00 0.00 55.97 57.46 2ia1 s LYS 117 Cb -0.10 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2ia1 s LYS 117 CO 0.30 0.46 0.27 1.21 -0.92 0.00 0.00 175.35 176.68 2ia1 s ASN 118 N -0.73 6.11 0.00 2.83 2.47 -1.26 -4.98 114.94 119.39 2ia1 s ASN 118 Ca 0.37 -0.05 0.30 0.00 0.42 0.00 0.00 52.86 53.90 2ia1 s ASN 118 Cb -0.22 -2.16 1.50 0.00 -1.45 0.00 0.00 41.25 38.92 2ia1 s ASN 118 CO 0.25 -0.16 2.03 -0.81 -3.72 0.00 0.00 177.10 174.69 2ia1 n PRO 119 N 5.19 0.53 -3.98 0.43 -0.04 -1.26 -4.90 135.00 130.97 2ia1 n PRO 119 Ca -0.12 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 2ia1 n PRO 119 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2ia1 n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ia1 s PHE 120 N -2.50 3.38 0.53 0.54 0.08 -1.26 -5.11 117.98 113.64 2ia1 s PHE 120 Ca 0.30 0.17 -0.09 0.00 0.12 0.00 0.00 56.93 57.43 2ia1 s PHE 120 Cb 0.20 -1.69 0.12 0.00 -0.57 0.00 0.00 43.02 41.08 2ia1 s PHE 120 CO 0.46 0.56 0.72 -0.40 -0.10 0.00 0.00 175.22 176.46 2ia1 n ASP 121 N 0.30 0.04 0.05 1.36 5.68 -1.26 -4.67 116.55 118.06 2ia1 n ASP 121 Ca -0.07 -1.26 -0.13 0.00 -0.50 0.00 0.00 54.79 52.84 2ia1 n ASP 121 Cb 0.51 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.87 2ia1 n ASP 121 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2ia1 h THR 122 N -1.42 1.02 0.00 2.12 2.02 -1.99 0.53 112.91 115.20 2ia1 h THR 122 Ca -0.23 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.71 2ia1 h THR 122 Cb 0.64 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2ia1 h THR 122 CO 0.16 0.06 -0.04 0.15 0.37 0.00 0.00 175.52 176.23 2ia1 h PHE 123 N -0.18 -0.09 -0.22 3.16 3.57 -2.00 -1.60 116.94 119.58 2ia1 h PHE 123 Ca -0.01 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2ia1 h PHE 123 Cb 0.15 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2ia1 h PHE 123 CO -0.04 -0.06 -0.41 1.25 -2.23 0.00 0.00 178.31 176.82 2ia1 h LEU 124 N -0.06 0.55 -0.31 0.59 5.85 -1.92 -2.13 115.31 117.88 2ia1 h LEU 124 Ca 0.01 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.51 2ia1 h LEU 124 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2ia1 h LEU 124 CO -0.04 0.90 0.16 0.74 -0.34 0.00 0.00 178.44 179.86 2ia1 h THR 125 N 0.43 1.00 -0.62 1.05 2.02 -0.61 0.32 112.91 116.50 2ia1 h THR 125 Ca 0.04 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 2ia1 h THR 125 Cb 0.90 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2ia1 h THR 125 CO 0.08 0.06 0.20 -0.09 0.37 0.00 0.00 175.52 176.14 2ia1 h ARG 126 N 0.33 0.96 -0.52 6.66 2.43 -1.08 0.59 114.38 123.75 2ia1 h ARG 126 Ca 0.13 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2ia1 h ARG 126 Cb 0.03 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2ia1 h ARG 126 CO -0.08 0.84 0.28 -0.07 -1.51 0.00 0.00 179.97 179.43 2ia1 h LEU 127 N 0.88 0.41 -0.38 3.80 3.38 -1.04 0.11 115.31 122.47 2ia1 h LEU 127 Ca 0.20 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 2ia1 h LEU 127 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2ia1 h LEU 127 CO -0.01 0.28 -0.17 0.00 0.09 0.00 0.00 178.44 178.64 2ia1 h ALA 128 N 1.27 0.54 -0.28 1.53 0.00 -0.68 -1.09 119.26 120.54 2ia1 h ALA 128 Ca 0.23 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ia1 h ALA 128 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ia1 h ALA 128 CO -0.15 0.46 0.13 2.35 0.00 0.00 0.00 179.25 182.05 2ia1 h TRP 129 N 0.59 0.25 -0.86 0.00 7.01 -0.63 -0.43 115.95 121.88 2ia1 h TRP 129 Ca 0.09 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2ia1 h TRP 129 Cb 0.71 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.66 2ia1 h TRP 129 CO 0.06 0.13 0.52 1.96 -2.79 0.00 0.00 178.44 178.32 2ia1 h GLN 130 N 0.29 1.16 -0.21 2.65 4.20 -0.66 -0.17 115.11 122.37 2ia1 h GLN 130 Ca 0.12 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2ia1 h GLN 130 Cb 0.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2ia1 h GLN 130 CO -0.09 0.81 0.13 -0.92 -0.67 0.00 0.00 178.83 178.09 2ia1 h TYR 131 N 1.18 0.24 -0.33 2.96 3.20 -0.82 0.13 116.97 123.54 2ia1 h TYR 131 Ca 0.31 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 2ia1 h TYR 131 Cb -0.05 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2ia1 h TYR 131 CO 0.00 0.15 -0.40 0.93 -1.64 0.00 0.00 178.16 177.21 2ia1 h GLU 132 N 0.27 0.85 0.09 1.82 4.39 -0.68 0.34 114.58 121.65 2ia1 h GLU 132 Ca 0.08 -0.47 -0.21 0.00 0.34 0.00 0.00 59.36 59.09 2ia1 h GLU 132 Cb -0.02 0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2ia1 h GLU 132 CO -0.03 1.11 -0.89 0.45 -1.16 0.00 0.00 179.01 178.49 2ia1 h HIS 133 N 0.63 0.73 -0.00 4.33 3.86 -1.06 -3.42 115.15 120.23 2ia1 h HIS 133 Ca 0.04 -0.46 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2ia1 h HIS 133 Cb 0.99 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.40 2ia1 h HIS 133 CO 0.07 1.31 -0.04 1.19 0.86 0.00 0.00 177.93 181.32 2ia1 n PHE 134 N -4.04 0.00 -1.15 2.45 3.72 0.41 -4.99 117.46 113.85 2ia1 n PHE 134 Ca -0.13 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.22 2ia1 n PHE 134 Cb 0.83 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.35 2ia1 n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ia1 n GLY 135 N 0.53 0.76 3.68 1.37 0.00 0.11 -4.98 105.19 106.67 2ia1 n GLY 135 Ca 0.01 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 2ia1 n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ia1 s THR 136 N -2.07 3.44 -0.21 2.61 2.01 -1.17 -4.91 115.64 115.34 2ia1 s THR 136 Ca 0.00 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 2ia1 s THR 136 Cb 0.00 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2ia1 s THR 136 CO 0.00 -0.02 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.18 2ia1 s ILE 137 N 2.96 2.81 0.00 1.82 1.01 -1.26 -4.01 121.20 124.53 2ia1 s ILE 137 Ca 0.70 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2ia1 s ILE 137 Cb -0.35 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2ia1 s ILE 137 CO 0.29 0.40 0.00 -2.65 0.00 0.00 0.00 174.94 172.98 2ia1 n PRO 138 N 4.70 -0.00 -1.17 2.79 -0.02 -1.26 -5.07 135.00 134.97 2ia1 n PRO 138 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2ia1 n PRO 138 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2ia1 n PRO 138 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2ia1 n ASP 140 N -1.03 0.00 -0.15 2.55 2.03 -1.26 -4.47 116.55 114.23 2ia1 n ASP 140 Ca 0.00 0.77 -0.09 0.00 0.52 0.00 0.00 54.79 55.99 2ia1 n ASP 140 Cb 0.00 -1.18 -0.00 0.00 -0.72 0.00 0.00 41.12 39.21 2ia1 n ASP 140 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2ia1 h SER 141 N 1.56 0.59 -0.49 1.67 4.64 -2.03 0.13 113.55 119.61 2ia1 h SER 141 Ca 0.00 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2ia1 h SER 141 Cb 0.00 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 2ia1 h SER 141 CO 0.00 0.60 0.30 0.15 -0.87 0.00 0.00 176.83 177.01 2ia1 h PHE 142 N 0.54 0.57 -0.52 4.77 3.57 -1.99 0.82 116.94 124.71 2ia1 h PHE 142 Ca 0.14 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2ia1 h PHE 142 Cb 0.20 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2ia1 h PHE 142 CO 0.00 0.34 0.01 1.88 -2.23 0.00 0.00 178.31 178.31 2ia1 h TYR 143 N 0.61 0.93 -0.36 0.41 -1.99 -1.90 -1.22 116.97 113.44 2ia1 h TYR 143 Ca 0.19 -0.13 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 2ia1 h TYR 143 Cb -0.01 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 2ia1 h TYR 143 CO -0.06 0.84 -0.08 -0.22 -0.00 0.00 0.00 178.16 178.65 2ia1 h LYS 144 N 0.81 0.70 -0.54 4.88 1.63 -0.48 -1.77 116.57 121.79 2ia1 h LYS 144 Ca 0.16 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 2ia1 h LYS 144 Cb 0.47 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 2ia1 h LYS 144 CO 0.02 0.84 0.13 1.05 -3.45 0.00 0.00 179.45 178.05 2ia1 h GLU 145 N 0.49 0.83 -0.16 1.90 4.11 -0.68 -1.29 114.58 119.79 2ia1 h GLU 145 Ca 0.09 -0.17 0.01 0.00 0.07 0.00 0.00 59.36 59.37 2ia1 h GLU 145 Cb 0.58 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ia1 h GLU 145 CO 0.03 0.75 0.06 1.15 0.07 0.00 0.00 179.01 181.06 2ia1 h THR 146 N 0.80 0.97 0.00 -1.06 2.02 -1.08 -2.42 112.91 112.15 2ia1 h THR 146 Ca 0.18 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 2ia1 h THR 146 Cb 0.29 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2ia1 h THR 146 CO -0.00 0.02 -0.11 0.25 0.37 0.00 0.00 175.52 176.05 2ia1 h LEU 147 N 0.13 0.00 -2.08 2.58 5.85 -0.91 -1.56 115.31 119.33 2ia1 h LEU 147 Ca 0.07 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.86 2ia1 h LEU 147 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2ia1 h LEU 147 CO -0.07 0.11 0.21 0.78 -0.34 0.00 0.00 178.44 179.13 2ia1 h ASN 148 N 0.00 0.00 0.18 1.25 2.35 -0.72 -0.16 115.58 118.48 2ia1 h ASN 148 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2ia1 h ASN 148 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2ia1 h ASN 148 CO 0.01 0.00 -0.23 -0.08 -1.65 0.00 0.00 177.43 175.49 2ia1 h GLU 149 N 0.00 0.09 0.09 0.81 4.81 -1.28 0.55 114.58 119.65 2ia1 h GLU 149 Ca 0.12 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2ia1 h GLU 149 Cb 0.53 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.91 2ia1 h GLU 149 CO -0.00 0.32 -0.59 -0.92 -0.73 0.00 0.00 179.01 177.08 2ia1 h TYR 150 N 0.08 0.34 -0.08 0.92 3.20 -1.20 -3.33 116.97 116.91 2ia1 h TYR 150 Ca 0.01 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 61.63 2ia1 h TYR 150 Cb 0.45 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 2ia1 h TYR 150 CO 0.00 1.23 0.04 -0.07 -1.64 0.00 0.00 178.16 177.72 2ia1 h LEU 151 N -0.59 0.09 -1.03 2.82 3.38 -0.98 -1.14 115.31 117.86 2ia1 h LEU 151 Ca -0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2ia1 h LEU 151 Cb 1.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 2ia1 h LEU 151 CO 0.09 0.08 0.07 -0.33 0.09 0.00 0.00 178.44 178.43 2ia1 h GLU 152 N 0.11 0.77 -0.29 1.13 5.08 -1.03 -0.19 114.58 120.15 2ia1 h GLU 152 Ca 0.03 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 2ia1 h GLU 152 Cb 0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 2ia1 h GLU 152 CO -0.00 0.73 -0.38 0.93 -1.00 0.00 0.00 179.01 179.29 2ia1 h GLU 153 N 0.73 0.76 -0.22 2.33 4.39 -1.35 -2.88 114.58 118.35 2ia1 h GLU 153 Ca 0.15 -0.44 0.04 0.00 0.34 0.00 0.00 59.36 59.45 2ia1 h GLU 153 Cb 0.35 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2ia1 h GLU 153 CO 0.01 1.07 0.15 0.87 -1.16 0.00 0.00 179.01 179.94 2ia1 h LYS 154 N 0.52 0.12 0.00 2.33 1.79 -0.87 -1.03 116.57 119.43 2ia1 h LYS 154 Ca 0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2ia1 h LYS 154 Cb 0.97 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 2ia1 h LYS 154 CO 0.09 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 2ia1 h ALA 155 N 1.88 1.00 -0.60 3.86 0.00 -0.82 -2.52 119.26 122.07 2ia1 h ALA 155 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ia1 h ALA 155 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ia1 h ALA 155 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.28 2ia1 n GLN 156 N -2.76 2.63 -0.63 0.00 1.13 -0.42 -4.93 117.38 112.40 2ia1 n GLN 156 Ca 0.02 -2.50 0.00 0.00 -1.94 0.00 0.00 57.00 52.57 2ia1 n GLN 156 Cb 0.30 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 29.11 2ia1 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ia1 n GLY 157 N 1.61 0.74 3.77 1.08 0.00 -0.95 -5.05 105.19 106.39 2ia1 n GLY 157 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2ia1 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ia1 s LYS 158 N -0.37 3.97 0.07 1.61 1.02 -1.02 -5.01 119.74 120.01 2ia1 s LYS 158 Ca 0.00 1.94 0.07 0.00 0.02 0.00 0.00 55.97 57.99 2ia1 s LYS 158 Cb 0.00 -2.66 -0.03 0.00 -0.52 0.00 0.00 37.83 34.62 2ia1 s LYS 158 CO 0.00 -0.42 -0.18 1.03 -0.92 0.00 0.00 175.35 174.86 2ia1 s ARG 159 N -2.34 1.06 -0.48 1.68 1.81 -1.26 -4.27 118.95 115.15 2ia1 s ARG 159 Ca 0.58 -0.98 0.05 0.00 -1.72 0.00 0.00 55.73 53.66 2ia1 s ARG 159 Cb -0.33 -1.18 0.20 0.00 -0.45 0.00 0.00 34.95 33.19 2ia1 s ARG 159 CO 0.42 0.28 0.46 0.66 -0.68 0.00 0.00 175.30 176.44 2ia1 n TYR 160 N 1.45 0.44 0.19 -0.53 4.01 -1.26 -4.98 117.16 116.48 2ia1 n TYR 160 Ca -0.19 -3.64 0.16 0.00 -0.16 0.00 0.00 57.90 54.06 2ia1 n TYR 160 Cb 0.54 -0.14 0.78 0.00 -0.31 0.00 0.00 39.34 40.21 2ia1 n TYR 160 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ia1 h PRO 161 N 4.98 0.00 0.00 -0.72 0.11 -1.99 -1.10 132.00 133.29 2ia1 h PRO 161 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2ia1 h PRO 161 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2ia1 h PRO 161 CO 0.51 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.27 2ia1 n PHE 162 N -4.05 0.49 0.28 0.65 1.16 -1.26 -2.03 117.46 112.71 2ia1 n PHE 162 Ca 0.01 0.22 0.09 0.00 -1.87 0.00 0.00 57.45 55.90 2ia1 n PHE 162 Cb 0.30 -0.85 -0.12 0.00 -1.61 0.00 0.00 39.48 37.19 2ia1 n PHE 162 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2ia1 n LEU 163 N -1.97 0.29 -4.87 5.98 4.77 -0.42 -4.81 117.00 115.97 2ia1 n LEU 163 Ca 0.01 -0.18 -0.32 0.00 -0.03 0.00 0.00 56.01 55.49 2ia1 n LEU 163 Cb 0.12 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2ia1 n LEU 163 CO 0.12 0.07 0.27 -1.61 -1.33 0.00 0.00 177.39 174.92 2ia1 s GLU 164 N -3.00 3.86 0.52 3.23 2.02 -0.86 -4.59 118.70 119.88 2ia1 s GLU 164 Ca -0.02 0.38 -0.21 0.00 0.02 0.00 0.00 54.97 55.15 2ia1 s GLU 164 Cb 0.12 -2.59 -0.08 0.00 0.10 0.00 0.00 34.13 31.68 2ia1 s GLU 164 CO 0.72 0.28 0.90 -2.30 0.02 0.00 0.00 175.26 174.88 2ia1 n PRO 165 N -0.19 1.02 -0.24 0.39 -0.01 -1.26 -5.01 135.00 129.70 2ia1 n PRO 165 Ca 0.01 0.38 -0.06 0.00 -0.01 0.00 0.00 63.50 63.82 2ia1 n PRO 165 Cb 0.53 -2.03 -0.01 0.00 -0.01 0.00 0.00 33.50 31.97 2ia1 n PRO 165 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 2ia1 n LEU 166 N 0.01 1.52 0.00 2.45 4.77 -1.26 -5.11 117.00 119.37 2ia1 n LEU 166 Ca 0.11 -1.47 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 2ia1 n LEU 166 Cb 0.44 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2ia1 n LEU 166 CO 0.53 -0.44 0.00 1.57 -1.33 0.00 0.00 177.39 177.72 2ia1 n HIS 174 N 4.18 0.00 -2.45 -1.77 -0.00 -1.26 -5.20 115.22 108.73 2ia1 n HIS 174 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.79 2ia1 n HIS 174 Cb 0.09 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.12 2ia1 n HIS 174 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ia1 n HIS 175 N 0.00 1.49 -2.84 1.57 8.25 -1.26 -5.05 115.22 117.38 2ia1 n HIS 175 Ca 0.00 -1.92 -0.29 0.00 -0.26 0.00 0.00 57.72 55.25 2ia1 n HIS 175 Cb 0.00 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 2ia1 n HIS 175 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ia1 s HIS 176 N -3.25 3.50 0.00 4.41 4.02 -1.26 -5.53 115.29 117.19 2ia1 s HIS 176 Ca 0.36 0.91 0.00 0.00 1.02 0.00 0.00 55.06 57.35 2ia1 s HIS 176 Cb 0.36 -2.35 0.00 0.00 -1.02 0.00 0.00 32.58 29.57 2ia1 s HIS 176 CO -0.03 -0.13 0.41 1.58 1.02 0.00 0.00 174.74 177.58