#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 1.02 -0.66 1.04 3.38 -2.05 -2.22 115.31 115.81 2ia1 h LEU 1 Ca 0.00 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2ia1 h LEU 1 Cb 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 2ia1 h LEU 1 CO 0.00 0.86 0.38 -0.08 0.09 0.00 0.00 178.44 179.69 2ia1 h GLU 2 N 1.11 0.69 -0.43 1.13 4.81 -2.05 -0.62 114.58 119.22 2ia1 h GLU 2 Ca 0.27 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2ia1 h GLU 2 Cb 0.10 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2ia1 h GLU 2 CO -0.04 0.46 -0.07 0.87 -0.73 0.00 0.00 179.01 179.50 2ia1 h LYS 3 N 0.71 0.75 0.17 1.92 1.57 -1.92 -1.71 116.57 118.06 2ia1 h LYS 3 Ca 0.29 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2ia1 h LYS 3 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ia1 h LYS 3 CO -0.16 0.80 -0.08 1.96 -0.57 0.00 0.00 179.45 181.40 2ia1 h GLN 4 N 0.69 -0.22 -0.52 3.15 1.08 -0.80 0.49 115.11 118.97 2ia1 h GLN 4 Ca 0.13 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2ia1 h GLN 4 Cb 0.52 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.97 2ia1 h GLN 4 CO 0.03 -0.15 0.31 0.97 -0.95 0.00 0.00 178.83 179.04 2ia1 h ILE 5 N -0.23 1.16 -0.77 2.54 6.09 -0.97 -0.32 117.51 125.00 2ia1 h ILE 5 Ca -0.02 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2ia1 h ILE 5 Cb 0.18 0.46 -0.04 0.00 0.47 0.00 0.00 36.82 37.89 2ia1 h ILE 5 CO 0.03 0.16 0.48 -0.33 -3.07 0.00 0.00 178.15 175.43 2ia1 h GLU 6 N 0.70 1.03 -0.71 2.19 4.39 -1.26 -1.91 114.58 119.01 2ia1 h GLU 6 Ca 0.19 -0.08 0.09 0.00 0.34 0.00 0.00 59.36 59.89 2ia1 h GLU 6 Cb -0.01 -0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 28.35 2ia1 h GLU 6 CO -0.03 0.71 0.36 1.03 -1.16 0.00 0.00 179.01 179.92 2ia1 h SER 7 N 1.06 0.49 -0.42 1.42 0.87 0.82 0.14 113.55 117.93 2ia1 h SER 7 Ca 0.28 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.93 2ia1 h SER 7 Cb -0.07 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 2ia1 h SER 7 CO -0.06 0.29 0.21 1.88 -0.53 0.00 0.00 176.83 178.62 2ia1 h TYR 8 N 0.63 0.39 -0.63 2.24 0.05 -0.66 -1.12 116.97 117.86 2ia1 h TYR 8 Ca 0.34 0.02 0.05 0.00 0.05 0.00 0.00 58.73 59.19 2ia1 h TYR 8 Cb 0.34 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 2ia1 h TYR 8 CO -0.10 0.20 0.36 -0.92 -1.05 0.00 0.00 178.16 176.65 2ia1 h TYR 9 N 0.43 0.66 -0.66 4.88 3.20 -0.27 -0.50 116.97 124.70 2ia1 h TYR 9 Ca 0.18 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2ia1 h TYR 9 Cb 0.09 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2ia1 h TYR 9 CO -0.10 0.33 0.30 1.96 -1.64 0.00 0.00 178.16 179.00 2ia1 h GLN 10 N 0.67 0.97 -0.40 1.82 4.20 -0.20 0.31 115.11 122.48 2ia1 h GLN 10 Ca 0.28 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2ia1 h GLN 10 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2ia1 h GLN 10 CO -0.16 0.79 0.02 1.49 -0.67 0.00 0.00 178.83 180.29 2ia1 h GLU 11 N 0.93 0.70 -0.13 1.46 4.81 -0.79 -0.57 114.58 121.00 2ia1 h GLU 11 Ca 0.23 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2ia1 h GLU 11 Cb 0.16 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2ia1 h GLU 11 CO -0.02 0.78 -0.01 0.82 -0.73 0.00 0.00 179.01 179.84 2ia1 h ILE 12 N 0.53 1.27 -0.76 2.32 2.04 -0.85 -2.28 117.51 119.79 2ia1 h ILE 12 Ca 0.12 -0.87 0.03 0.00 1.00 0.00 0.00 64.86 65.14 2ia1 h ILE 12 Cb 0.45 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2ia1 h ILE 12 CO 0.02 0.25 0.48 0.00 0.00 0.00 0.00 178.15 178.90 2ia1 h ALA 13 N 0.73 0.99 -0.72 1.87 0.00 -0.34 -1.55 119.26 120.26 2ia1 h ALA 13 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2ia1 h ALA 13 Cb 0.39 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2ia1 h ALA 13 CO 0.01 0.27 0.28 0.37 0.00 0.00 0.00 179.25 180.17 2ia1 h GLN 14 N 0.93 1.07 -0.60 0.00 5.75 -0.98 0.16 115.11 121.43 2ia1 h GLN 14 Ca 0.30 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.52 2ia1 h GLN 14 Cb 0.03 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2ia1 h GLN 14 CO -0.12 0.87 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.85 2ia1 h LEU 15 N 1.04 1.06 -0.15 -2.39 3.38 -0.83 0.45 115.31 117.88 2ia1 h LEU 15 Ca 0.24 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2ia1 h LEU 15 Cb 0.21 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ia1 h LEU 15 CO -0.02 1.11 0.05 0.40 0.09 0.00 0.00 178.44 180.08 2ia1 h ILE 16 N 0.98 1.16 -0.98 1.22 2.04 -0.84 -2.45 117.51 118.63 2ia1 h ILE 16 Ca 0.17 -0.49 0.12 0.00 1.00 0.00 0.00 64.86 65.66 2ia1 h ILE 16 Cb 0.58 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 2ia1 h ILE 16 CO 0.03 0.15 0.61 0.40 0.00 0.00 0.00 178.15 179.35 2ia1 h ILE 17 N 0.07 0.92 -0.03 -0.67 2.04 -0.46 -0.58 117.51 118.80 2ia1 h ILE 17 Ca 0.05 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2ia1 h ILE 17 Cb 0.19 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2ia1 h ILE 17 CO -0.00 0.18 -0.08 0.44 0.00 0.00 0.00 178.15 178.68 2ia1 h ASP 18 N 0.98 0.04 1.04 1.72 3.32 -0.61 -2.50 116.42 120.41 2ia1 h ASP 18 Ca 0.48 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.35 2ia1 h ASP 18 Cb 0.46 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2ia1 h ASP 18 CO -0.26 0.13 -1.00 0.24 -1.72 0.00 0.00 179.24 176.63 2ia1 h MET 19 N 0.05 0.00 -6.34 3.56 2.86 -0.68 -3.45 114.93 110.93 2ia1 h MET 19 Ca 0.01 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.10 2ia1 h MET 19 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2ia1 h MET 19 CO 0.01 0.67 0.76 0.42 1.06 0.00 0.00 176.91 179.83 2ia1 s ILE 20 N -2.80 4.03 -2.13 -1.22 1.01 -0.59 -4.93 121.20 114.57 2ia1 s ILE 20 Ca 0.01 1.38 0.16 0.00 0.00 0.00 0.00 60.65 62.19 2ia1 s ILE 20 Cb 0.09 -3.88 0.38 0.00 0.01 0.00 0.00 42.46 39.05 2ia1 s ILE 20 CO 0.80 -0.00 1.41 -0.81 0.00 0.00 0.00 174.94 176.33 2ia1 n PRO 21 N 5.29 1.68 -3.95 2.79 -0.04 -1.26 -4.92 135.00 134.59 2ia1 n PRO 21 Ca 0.12 -1.04 -0.10 0.00 -0.04 0.00 0.00 63.50 62.43 2ia1 n PRO 21 Cb 0.45 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.70 1.85 0.12 0.54 -1.05 -1.26 -5.07 118.70 112.12 2ia1 s GLU 22 Ca 0.27 -1.39 -0.31 0.00 -0.15 0.00 0.00 54.97 53.39 2ia1 s GLU 22 Cb 0.14 0.52 -0.09 0.00 -0.44 0.00 0.00 34.13 34.27 2ia1 s GLU 22 CO 0.20 -0.81 1.48 -1.21 0.95 0.00 0.00 175.26 175.88 2ia1 s GLU 23 N -3.34 4.27 0.23 -4.83 2.02 -1.26 -4.97 118.70 110.81 2ia1 s GLU 23 Ca 0.21 2.20 0.11 0.00 0.02 0.00 0.00 54.97 57.51 2ia1 s GLU 23 Cb -0.02 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 2ia1 s GLU 23 CO 0.12 -0.54 -0.19 1.67 0.02 0.00 0.00 175.26 176.34 2ia1 s TRP 24 N 1.37 2.37 -0.16 1.61 1.48 -1.26 -0.47 118.94 123.88 2ia1 s TRP 24 Ca 0.67 -0.32 0.10 0.00 -1.06 0.00 0.00 56.10 55.49 2ia1 s TRP 24 Cb -0.39 -1.11 -0.16 0.00 -1.16 0.00 0.00 33.47 30.64 2ia1 s TRP 24 CO 0.30 0.59 -0.01 0.00 -4.06 0.00 0.00 176.95 173.77 2ia1 n ALA 25 N -0.15 1.63 -3.54 2.67 0.00 0.34 -4.68 120.51 116.77 2ia1 n ALA 25 Ca -0.09 -0.92 -0.16 0.00 0.00 0.00 0.00 53.44 52.26 2ia1 n ALA 25 Cb 0.57 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.36 0.95 -0.01 0.00 2.12 -1.25 -1.31 118.70 116.84 2ia1 s GLU 26 Ca -0.12 0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.77 2ia1 s GLU 26 Cb 0.05 0.45 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 2ia1 s GLU 26 CO 0.55 -0.23 -0.13 0.08 -0.54 0.00 0.00 175.26 174.99 2ia1 s VAL 27 N -0.58 1.06 -0.08 3.70 1.01 0.36 -0.32 120.40 125.55 2ia1 s VAL 27 Ca -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2ia1 s VAL 27 Cb -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2ia1 s VAL 27 CO 0.06 0.27 -0.16 -0.13 0.00 0.00 0.00 175.10 175.14 2ia1 s ARG 28 N -0.39 2.16 -0.04 2.72 0.52 -0.52 -1.21 118.95 122.19 2ia1 s ARG 28 Ca 0.05 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 2ia1 s ARG 28 Cb -0.05 -1.71 -0.00 0.00 0.52 0.00 0.00 34.95 33.70 2ia1 s ARG 28 CO -0.00 0.08 -0.18 0.12 0.02 0.00 0.00 175.30 175.34 2ia1 s PHE 29 N 0.56 1.74 -0.09 -0.53 5.36 0.57 -1.62 117.98 123.98 2ia1 s PHE 29 Ca -0.16 -0.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.36 2ia1 s PHE 29 Cb -0.17 -1.17 -0.00 0.00 -0.34 0.00 0.00 43.02 41.34 2ia1 s PHE 29 CO 0.05 -0.16 -0.24 -0.47 -1.46 0.00 0.00 175.22 172.94 2ia1 s TYR 30 N 0.01 2.51 0.01 10.12 5.04 -0.04 -1.23 117.35 133.76 2ia1 s TYR 30 Ca -0.03 -0.95 0.01 0.00 -2.44 0.00 0.00 57.07 53.65 2ia1 s TYR 30 Cb -0.11 -1.67 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 2ia1 s TYR 30 CO 0.02 -0.36 -0.04 0.00 -1.34 0.00 0.00 175.55 173.83 2ia1 s ALA 31 N 0.21 0.28 -0.14 3.97 0.00 -0.65 -1.20 121.76 124.23 2ia1 s ALA 31 Ca -0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2ia1 s ALA 31 Cb -0.17 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 22.98 2ia1 s ALA 31 CO 0.07 0.02 0.35 -1.14 0.00 0.00 0.00 175.76 175.06 2ia1 s GLN 32 N -0.50 0.34 -0.14 0.00 0.74 0.49 -0.42 119.66 120.18 2ia1 s GLN 32 Ca -0.03 0.63 -0.08 0.00 0.05 0.00 0.00 55.36 55.93 2ia1 s GLN 32 Cb -0.04 0.01 0.05 0.00 1.10 0.00 0.00 33.01 34.13 2ia1 s GLN 32 CO -0.00 -0.13 0.33 -2.00 -0.55 0.00 0.00 175.29 172.94 2ia1 s GLU 33 N 1.02 0.31 0.27 1.67 2.12 -0.56 -1.50 118.70 122.03 2ia1 s GLU 33 Ca -0.07 0.65 0.04 0.00 0.36 0.00 0.00 54.97 55.96 2ia1 s GLU 33 Cb -0.07 -0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.31 2ia1 s GLU 33 CO -0.08 -0.15 0.35 -0.40 -0.54 0.00 0.00 175.26 174.43 2ia1 n ASP 34 N 4.15 1.12 0.24 -1.70 5.68 -0.70 -4.53 116.55 120.80 2ia1 n ASP 34 Ca -0.23 -1.75 0.10 0.00 -0.50 0.00 0.00 54.79 52.41 2ia1 n ASP 34 Cb 0.54 -0.17 0.57 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 0.13 0.00 -0.28 2.11 3.86 -1.96 -1.80 115.15 117.21 2ia1 h HIS 35 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2ia1 h HIS 35 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 2ia1 h HIS 35 CO 0.00 0.20 0.00 -0.25 0.86 0.00 0.00 177.93 178.74 2ia1 n ASP 36 N -3.56 2.57 0.00 2.45 8.00 -1.26 -4.94 116.55 119.80 2ia1 n ASP 36 Ca -0.01 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2ia1 n ASP 36 Cb 0.35 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.32 0.84 3.75 0.44 0.00 -0.68 -5.03 105.19 105.82 2ia1 n GLY 37 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.76 3.59 -0.00 1.61 -0.00 -1.26 -4.76 118.94 115.35 2ia1 s TRP 38 Ca 0.00 1.63 0.02 0.00 -0.00 0.00 0.00 56.10 57.75 2ia1 s TRP 38 Cb 0.00 -3.28 -0.01 0.00 -0.00 0.00 0.00 33.47 30.18 2ia1 s TRP 38 CO 0.00 -0.60 -0.07 0.21 -0.00 0.00 0.00 176.95 176.49 2ia1 s LYS 39 N -0.77 0.53 -0.04 5.86 2.20 -1.26 -1.73 119.74 124.54 2ia1 s LYS 39 Ca 0.48 -0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2ia1 s LYS 39 Cb -0.30 -0.50 0.01 0.00 -1.51 0.00 0.00 37.83 35.52 2ia1 s LYS 39 CO 0.37 0.14 -0.08 0.42 -0.36 0.00 0.00 175.35 175.83 2ia1 s ILE 40 N -0.25 0.78 -0.10 5.43 1.01 -0.56 -5.01 121.20 122.49 2ia1 s ILE 40 Ca 0.02 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2ia1 s ILE 40 Cb -0.03 -0.73 0.04 0.00 0.01 0.00 0.00 42.46 41.76 2ia1 s ILE 40 CO -0.00 0.26 0.46 0.72 0.00 0.00 0.00 174.94 176.38 2ia1 s PHE 41 N 0.50 -0.44 0.01 3.97 -0.12 -1.26 -0.38 117.98 120.26 2ia1 s PHE 41 Ca -0.08 0.94 -0.28 0.00 -0.05 0.00 0.00 56.93 57.46 2ia1 s PHE 41 Cb -0.12 0.20 0.09 0.00 -0.63 0.00 0.00 43.02 42.56 2ia1 s PHE 41 CO 0.01 -0.36 0.81 -0.59 -0.05 0.00 0.00 175.22 175.04 2ia1 s PHE 42 N -0.50 -0.43 0.13 3.49 -0.12 -0.34 -5.02 117.98 115.20 2ia1 s PHE 42 Ca -0.06 0.39 0.05 0.00 -0.05 0.00 0.00 56.93 57.26 2ia1 s PHE 42 Cb -0.03 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 2ia1 s PHE 42 CO 0.03 -0.60 -0.11 -0.59 -0.05 0.00 0.00 175.22 173.91 2ia1 s PHE 43 N -2.81 1.25 0.13 3.49 -0.12 -1.26 -0.86 117.98 117.80 2ia1 s PHE 43 Ca 0.01 -0.70 0.08 0.00 -0.05 0.00 0.00 56.93 56.28 2ia1 s PHE 43 Cb -0.01 -0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 41.70 2ia1 s PHE 43 CO -0.07 0.08 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.98 2ia1 s HIS 44 N -2.93 1.81 0.05 3.49 3.76 -0.64 -1.49 115.29 119.35 2ia1 s HIS 44 Ca 0.13 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2ia1 s HIS 44 Cb 0.00 -0.95 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 2ia1 s HIS 44 CO 0.01 0.26 -0.08 1.52 -0.85 0.00 0.00 174.74 175.60 2ia1 s TYR 45 N -1.54 0.74 -0.30 1.40 -0.85 -0.35 -1.44 117.35 115.01 2ia1 s TYR 45 Ca 0.10 -0.54 -0.17 0.00 -0.52 0.00 0.00 57.07 55.94 2ia1 s TYR 45 Cb -0.08 -0.44 -0.02 0.00 0.38 0.00 0.00 41.96 41.80 2ia1 s TYR 45 CO 0.05 -0.08 0.48 -1.17 -1.52 0.00 0.00 175.55 173.31 2ia1 s LEU 46 N -1.77 4.17 0.10 -3.49 2.96 0.57 -0.38 118.68 120.84 2ia1 s LEU 46 Ca -0.07 0.24 -0.31 0.00 -0.22 0.00 0.00 54.13 53.78 2ia1 s LEU 46 Cb -0.08 -2.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.97 2ia1 s LEU 46 CO -0.00 -0.34 1.28 -0.55 -1.32 0.00 0.00 176.35 175.42 2ia1 s SER 47 N 1.65 6.97 0.21 3.68 0.15 -0.44 -0.51 113.70 125.42 2ia1 s SER 47 Ca 0.19 2.17 -0.07 0.00 0.70 0.00 0.00 55.95 58.94 2ia1 s SER 47 Cb -0.16 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.74 2ia1 s SER 47 CO 0.11 -0.53 1.75 0.00 1.20 0.00 0.00 173.24 175.77 2ia1 h ALA 48 N 6.59 1.01 -0.01 5.45 0.00 -1.05 -0.14 119.26 131.10 2ia1 h ALA 48 Ca -0.42 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2ia1 h ALA 48 Cb 1.21 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ia1 h ALA 48 CO 0.82 0.66 -1.02 0.66 0.00 0.00 0.00 179.25 180.37 2ia1 h SER 49 N 1.07 0.91 0.34 0.00 4.64 -1.92 -3.34 113.55 115.26 2ia1 h SER 49 Ca 0.23 -0.72 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2ia1 h SER 49 Cb 0.32 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2ia1 h SER 49 CO -0.00 1.52 -1.67 -1.54 -0.87 0.00 0.00 176.83 174.26 2ia1 n SER 50 N -3.86 0.29 -3.60 4.97 3.41 -1.24 -4.98 113.62 108.61 2ia1 n SER 50 Ca -0.11 0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 2ia1 n SER 50 Cb 0.87 1.44 0.06 0.00 -0.26 0.00 0.00 64.21 66.33 2ia1 n SER 50 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ia1 n ASP 51 N -2.42 -5.95 -4.31 4.04 2.03 -0.07 -5.01 116.55 104.88 2ia1 n ASP 51 Ca -0.03 -0.56 -0.29 0.00 0.52 0.00 0.00 54.79 54.43 2ia1 n ASP 51 Cb 0.58 -4.71 -0.15 0.00 -0.72 0.00 0.00 41.12 36.13 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 -6.31 1.68 0.25 -0.67 2.02 -1.25 -4.89 118.70 109.53 2ia1 s GLU 52 Ca 0.57 -1.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.24 2ia1 s GLU 52 Cb -0.26 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.06 2ia1 s GLU 52 CO 0.71 0.47 1.07 -1.58 0.02 0.00 0.00 175.26 175.95 2ia1 s TRP 53 N -0.77 3.65 -0.02 1.61 0.52 -1.26 -1.33 118.94 121.33 2ia1 s TRP 53 Ca 0.10 1.72 0.03 0.00 0.02 0.00 0.00 56.10 57.97 2ia1 s TRP 53 Cb -0.09 -3.23 0.00 0.00 -1.15 0.00 0.00 33.47 29.00 2ia1 s TRP 53 CO 0.02 -0.38 -0.10 0.99 0.02 0.00 0.00 176.95 177.50 2ia1 s THR 54 N -0.99 0.81 0.29 2.01 2.01 0.49 -4.95 115.64 115.32 2ia1 s THR 54 Ca 0.45 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 2ia1 s THR 54 Cb -0.30 -0.72 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 2ia1 s THR 54 CO 0.38 0.25 0.78 -0.54 -0.69 0.00 0.00 174.62 174.81 2ia1 s LYS 55 N 0.14 4.22 0.24 4.92 1.02 -1.26 -1.21 119.74 127.80 2ia1 s LYS 55 Ca -0.02 0.90 -0.07 0.00 0.02 0.00 0.00 55.97 56.80 2ia1 s LYS 55 Cb -0.08 -2.66 0.42 0.00 -0.52 0.00 0.00 37.83 34.99 2ia1 s LYS 55 CO 0.00 0.26 1.66 0.38 -0.92 0.00 0.00 175.35 176.73 2ia1 h ASP 56 N 2.87 -0.21 0.33 2.83 3.04 -1.64 -0.13 116.42 123.51 2ia1 h ASP 56 Ca -0.48 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 2ia1 h ASP 56 Cb 1.19 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.76 2ia1 h ASP 56 CO 0.65 -0.12 0.00 0.16 -2.04 0.00 0.00 179.24 177.89 2ia1 h ILE 57 N 0.16 0.00 -0.00 4.15 3.07 -1.93 -1.70 117.51 121.25 2ia1 h ILE 57 Ca 0.40 -0.11 0.00 0.00 1.55 0.00 0.00 64.86 66.70 2ia1 h ILE 57 Cb 0.69 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 2ia1 h ILE 57 CO -0.59 0.00 -0.50 0.47 -1.05 0.00 0.00 178.15 176.49 2ia1 n ASP 58 N -2.30 0.73 -0.10 2.16 8.00 -0.06 -4.08 116.55 120.90 2ia1 n ASP 58 Ca 0.00 -0.53 -0.03 0.00 0.71 0.00 0.00 54.79 54.94 2ia1 n ASP 58 Cb 0.12 0.31 0.20 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.37 1.23 -0.97 0.53 2.04 -1.32 -2.65 117.51 116.73 2ia1 h ILE 59 Ca 0.00 -0.87 0.32 0.00 1.00 0.00 0.00 64.86 65.30 2ia1 h ILE 59 Cb 0.51 0.79 -0.16 0.00 -0.74 0.00 0.00 36.82 37.23 2ia1 h ILE 59 CO 0.00 0.31 0.45 -0.09 0.00 0.00 0.00 178.15 178.83 2ia1 h ARG 60 N 0.72 0.21 0.00 2.37 2.43 -1.75 -0.82 114.38 117.54 2ia1 h ARG 60 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2ia1 h ARG 60 Cb 0.35 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2ia1 h ARG 60 CO 0.01 0.14 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.14 2ia1 h ASP 61 N 0.22 0.00 0.00 -3.80 3.32 -1.74 -3.01 116.42 111.41 2ia1 h ASP 61 Ca 0.71 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.76 2ia1 h ASP 61 Cb 1.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.18 2ia1 h ASP 61 CO -0.67 0.02 0.00 1.33 -1.72 0.00 0.00 179.24 178.20 2ia1 n VAL 62 N -3.15 0.50 -1.98 -1.35 0.24 -0.42 -5.08 118.33 107.10 2ia1 n VAL 62 Ca -0.00 -0.72 -0.41 0.00 -2.04 0.00 0.00 64.34 61.17 2ia1 n VAL 62 Cb 0.25 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 2ia1 n VAL 62 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2ia1 s ILE 63 N -0.50 2.48 -0.26 1.34 1.10 -0.57 -4.96 121.20 119.83 2ia1 s ILE 63 Ca 0.00 0.46 -0.02 0.00 -0.51 0.00 0.00 60.65 60.58 2ia1 s ILE 63 Cb 0.00 -3.29 -0.16 0.00 0.15 0.00 0.00 42.46 39.16 2ia1 s ILE 63 CO 0.00 0.10 -0.26 0.29 -2.11 0.00 0.00 174.94 172.96 2ia1 n LYS 64 N 1.14 0.64 -1.38 3.50 4.76 -1.26 -5.00 118.16 120.55 2ia1 n LYS 64 Ca 0.02 0.18 -0.31 0.00 -2.87 0.00 0.00 58.31 55.33 2ia1 n LYS 64 Cb 0.40 -1.51 0.08 0.00 -1.84 0.00 0.00 35.03 32.16 2ia1 n LYS 64 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2ia1 s VAL 65 N -2.52 3.46 0.48 -0.18 -7.23 -1.26 -5.00 120.40 108.15 2ia1 s VAL 65 Ca -0.36 0.47 -0.24 0.00 -1.81 0.00 0.00 61.98 60.05 2ia1 s VAL 65 Cb 0.10 -3.06 -0.07 0.00 0.56 0.00 0.00 36.38 33.91 2ia1 s VAL 65 CO 0.57 -0.62 1.34 -2.65 -0.31 0.00 0.00 175.10 173.44 2ia1 n PRO 66 N -3.43 1.92 0.24 4.82 -0.02 -1.26 -4.88 135.00 132.38 2ia1 n PRO 66 Ca 0.08 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.36 2ia1 n PRO 66 Cb 0.54 -2.53 0.69 0.00 -0.02 0.00 0.00 33.50 32.18 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 1.86 0.00 -0.31 -0.52 1.08 -1.97 -0.55 115.11 114.70 2ia1 h GLN 67 Ca -0.50 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.65 2ia1 h GLN 67 Cb 1.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.71 2ia1 h GLN 67 CO 0.59 0.00 -0.04 -0.44 -0.95 0.00 0.00 178.83 177.99 2ia1 h ASP 68 N 0.00 0.45 -0.73 1.46 3.32 -1.98 0.52 116.42 119.46 2ia1 h ASP 68 Ca 0.03 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2ia1 h ASP 68 Cb 0.12 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2ia1 h ASP 68 CO -0.00 0.55 0.32 -0.33 -1.72 0.00 0.00 179.24 178.06 2ia1 h GLU 69 N 0.46 1.07 -0.29 3.56 5.08 -1.45 0.25 114.58 123.26 2ia1 h GLU 69 Ca 0.10 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2ia1 h GLU 69 Cb 0.36 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2ia1 h GLU 69 CO 0.01 0.85 -0.03 0.35 -1.00 0.00 0.00 179.01 179.20 2ia1 h PHE 70 N 1.03 0.58 -0.47 4.33 3.57 -1.35 -2.84 116.94 121.80 2ia1 h PHE 70 Ca 0.25 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2ia1 h PHE 70 Cb 0.16 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2ia1 h PHE 70 CO 0.01 0.69 0.19 0.52 -2.23 0.00 0.00 178.31 177.50 2ia1 h MET 71 N 0.31 0.67 -0.10 1.11 2.86 -0.77 0.01 114.93 119.02 2ia1 h MET 71 Ca 0.08 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2ia1 h MET 71 Cb 0.48 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2ia1 h MET 71 CO 0.02 0.56 -0.11 1.49 1.06 0.00 0.00 176.91 179.93 2ia1 h GLU 72 N 0.67 -0.13 -0.83 1.72 4.81 -0.82 0.74 114.58 120.73 2ia1 h GLU 72 Ca 0.16 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2ia1 h GLU 72 Cb 0.13 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2ia1 h GLU 72 CO -0.02 -0.09 0.44 0.87 -0.73 0.00 0.00 179.01 179.48 2ia1 h LYS 73 N -0.14 1.16 -0.36 1.92 1.79 -1.11 -0.81 116.57 119.02 2ia1 h LYS 73 Ca 0.08 -0.14 0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2ia1 h LYS 73 Cb 0.25 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.64 2ia1 h LYS 73 CO -0.19 0.86 0.15 -0.92 -1.08 0.00 0.00 179.45 178.28 2ia1 h TYR 74 N 1.15 0.27 -0.72 -1.35 3.20 -0.67 0.57 116.97 119.43 2ia1 h TYR 74 Ca 0.29 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.12 2ia1 h TYR 74 Cb 0.05 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2ia1 h TYR 74 CO 0.01 0.13 0.23 -0.91 -1.64 0.00 0.00 178.16 175.98 2ia1 h ASN 75 N 0.32 1.03 0.03 -2.11 2.35 -0.60 -0.90 115.58 115.71 2ia1 h ASN 75 Ca 0.16 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.66 2ia1 h ASN 75 Cb 0.11 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 2ia1 h ASN 75 CO -0.14 0.95 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.07 2ia1 h GLU 76 N 1.07 0.29 -0.21 0.81 5.08 -0.53 -0.44 114.58 120.65 2ia1 h GLU 76 Ca 0.23 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 2ia1 h GLU 76 Cb 0.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ia1 h GLU 76 CO -0.01 0.48 -0.40 1.25 -1.00 0.00 0.00 179.01 179.33 2ia1 h LEU 77 N 0.27 0.72 -0.68 1.33 5.85 -0.42 -1.67 115.31 120.71 2ia1 h LEU 77 Ca 0.05 -0.54 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2ia1 h LEU 77 Cb 0.50 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2ia1 h LEU 77 CO 0.03 1.13 0.44 -1.28 -0.34 0.00 0.00 178.44 178.42 2ia1 h SER 78 N 0.33 0.75 -0.54 1.25 0.87 -0.87 -2.10 113.55 113.26 2ia1 h SER 78 Ca 0.01 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2ia1 h SER 78 Cb 1.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2ia1 h SER 78 CO 0.09 0.54 0.05 0.15 -0.53 0.00 0.00 176.83 177.12 2ia1 h PHE 79 N 0.89 0.99 -0.25 2.24 3.57 -1.06 -2.92 116.94 120.40 2ia1 h PHE 79 Ca 0.25 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2ia1 h PHE 79 Cb -0.07 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.33 2ia1 h PHE 79 CO -0.03 0.89 -0.26 0.00 -2.23 0.00 0.00 178.31 176.68 2ia1 h ILE 81 N -0.27 0.51 0.06 0.00 3.07 -1.38 0.30 117.51 119.80 2ia1 h ILE 81 Ca 0.14 -0.81 -0.27 0.00 1.55 0.00 0.00 64.86 65.47 2ia1 h ILE 81 Cb 0.48 1.55 0.02 0.00 -0.27 0.00 0.00 36.82 38.61 2ia1 h ILE 81 CO -0.40 0.16 -1.09 0.28 -1.05 0.00 0.00 178.15 176.05 2ia1 h SER 82 N 0.00 0.85 -0.57 2.16 0.02 -1.15 -2.58 113.55 112.28 2ia1 h SER 82 Ca -0.00 -0.79 -0.05 0.00 -0.84 0.00 0.00 61.79 60.11 2ia1 h SER 82 Cb 0.54 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2ia1 h SER 82 CO 0.02 1.54 0.15 -0.78 -1.14 0.00 0.00 176.83 176.63 2ia1 h ASP 83 N 0.27 0.86 -0.47 3.07 3.58 0.46 -1.81 116.42 122.37 2ia1 h ASP 83 Ca -0.15 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2ia1 h ASP 83 Cb 1.77 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.57 2ia1 h ASP 83 CO 0.21 0.86 0.28 0.15 -2.88 0.00 0.00 179.24 177.86 2ia1 h PHE 84 N 0.82 0.62 -0.59 0.28 3.57 -0.55 -1.67 116.94 119.42 2ia1 h PHE 84 Ca 0.18 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2ia1 h PHE 84 Cb 0.33 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2ia1 h PHE 84 CO 0.02 0.43 0.35 -0.09 -2.23 0.00 0.00 178.31 176.79 2ia1 h ARG 85 N 0.62 0.66 -0.61 1.11 2.43 -1.17 0.61 114.38 118.05 2ia1 h ARG 85 Ca 0.17 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2ia1 h ARG 85 Cb -0.01 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 2ia1 h ARG 85 CO -0.03 0.44 0.28 0.87 -1.51 0.00 0.00 179.97 180.02 2ia1 h LYS 86 N 0.68 0.88 -0.26 0.20 1.57 -1.01 -0.69 116.57 117.93 2ia1 h LYS 86 Ca 0.24 -0.13 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 2ia1 h LYS 86 Cb 0.06 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2ia1 h LYS 86 CO -0.12 0.71 -0.56 0.22 -0.57 0.00 0.00 179.45 179.13 2ia1 h ASP 87 N 0.83 0.94 -0.41 0.86 3.58 -0.89 -2.05 116.42 119.29 2ia1 h ASP 87 Ca 0.21 -0.55 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2ia1 h ASP 87 Cb 0.13 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 2ia1 h ASP 87 CO -0.03 1.32 0.23 0.22 -2.88 0.00 0.00 179.24 178.11 2ia1 h TYR 88 N 0.61 0.54 -0.71 0.28 3.20 -0.78 -0.96 116.97 119.15 2ia1 h TYR 88 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2ia1 h TYR 88 Cb 1.17 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2ia1 h TYR 88 CO 0.08 0.40 0.32 0.00 -1.64 0.00 0.00 178.16 177.32 2ia1 h ALA 89 N 1.10 1.23 -0.24 1.82 0.00 -1.09 -0.05 119.26 122.03 2ia1 h ALA 89 Ca 0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2ia1 h ALA 89 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2ia1 h ALA 89 CO -0.03 0.58 -0.28 0.93 0.00 0.00 0.00 179.25 180.46 2ia1 h GLU 90 N 1.01 0.47 0.08 0.00 4.39 -0.82 0.46 114.58 120.17 2ia1 h GLU 90 Ca 0.24 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 2ia1 h GLU 90 Cb 0.14 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2ia1 h GLU 90 CO -0.03 0.70 -0.47 0.00 -1.16 0.00 0.00 179.01 178.06 2ia1 h ALA 91 N 1.30 -0.05 -0.28 3.43 0.00 -0.91 -3.39 119.26 119.36 2ia1 h ALA 91 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2ia1 h ALA 91 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ia1 h ALA 91 CO 0.05 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.71 2ia1 n PHE 92 N -4.33 0.36 -0.08 0.00 3.01 -0.06 -4.97 117.46 111.39 2ia1 n PHE 92 Ca -0.12 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.06 2ia1 n PHE 92 Cb 0.68 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.14 2ia1 n PHE 92 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ia1 n GLY 93 N 0.90 1.58 3.35 1.37 0.00 0.15 -4.96 105.19 107.58 2ia1 n GLY 93 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.43 0.86 0.50 1.61 -1.05 -1.20 -4.97 118.70 114.02 2ia1 s GLU 94 Ca 0.00 -0.08 -0.16 0.00 -0.15 0.00 0.00 54.97 54.58 2ia1 s GLU 94 Cb 0.00 0.39 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 2ia1 s GLU 94 CO 0.00 -0.26 0.96 -1.25 0.95 0.00 0.00 175.26 175.66 2ia1 s PRO 95 N -1.55 3.94 0.63 -4.83 0.04 -1.26 -4.04 135.00 127.92 2ia1 s PRO 95 Ca -0.11 0.91 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 2ia1 s PRO 95 Cb -0.03 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2ia1 s PRO 95 CO 0.05 -0.25 1.16 1.67 0.04 0.00 0.00 177.00 179.67 2ia1 s TRP 96 N -2.60 2.47 -0.09 0.56 1.48 -1.26 -4.96 118.94 114.53 2ia1 s TRP 96 Ca 0.58 1.55 0.08 0.00 -1.06 0.00 0.00 56.10 57.25 2ia1 s TRP 96 Cb -0.10 -3.34 -0.24 0.00 -1.16 0.00 0.00 33.47 28.64 2ia1 s TRP 96 CO 0.31 -1.97 0.47 -1.33 -4.06 0.00 0.00 176.95 170.37 2ia1 n MET 97 N -1.98 0.67 -3.80 3.25 2.81 0.00 -4.82 117.12 113.26 2ia1 n MET 97 Ca 0.12 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.16 2ia1 n MET 97 Cb 0.51 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 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 -6.26 -0.23 0.07 7.83 1.04 -0.98 -1.50 113.70 113.68 2ia1 s SER 98 Ca -0.11 -0.57 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 2ia1 s SER 98 Cb 0.07 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 2ia1 s SER 98 CO 0.80 -1.09 0.16 0.72 0.98 0.00 0.00 173.24 174.81 2ia1 s PHE 99 N -3.90 0.18 -0.02 5.02 -0.12 0.44 -0.94 117.98 118.65 2ia1 s PHE 99 Ca 0.12 -0.57 0.06 0.00 -0.05 0.00 0.00 56.93 56.49 2ia1 s PHE 99 Cb -0.01 -0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2ia1 s PHE 99 CO 0.00 -0.49 -0.19 -0.65 -0.05 0.00 0.00 175.22 173.84 2ia1 s GLN 100 N -3.51 1.59 -0.02 1.99 -0.21 -0.62 -1.64 119.66 117.23 2ia1 s GLN 100 Ca 0.02 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.72 2ia1 s GLN 100 Cb 0.04 -1.53 0.02 0.00 1.00 0.00 0.00 33.01 32.53 2ia1 s GLN 100 CO -0.09 0.42 -0.02 1.41 -2.12 0.00 0.00 175.29 174.88 2ia1 s MET 101 N -0.45 0.41 -0.04 2.91 -2.45 -0.37 -1.46 119.30 117.86 2ia1 s MET 101 Ca 0.07 -0.03 0.07 0.00 -1.25 0.00 0.00 55.69 54.55 2ia1 s MET 101 Cb -0.08 -0.50 -0.01 0.00 1.25 0.00 0.00 34.83 35.49 2ia1 s MET 101 CO -0.01 -0.05 -0.25 0.99 1.05 0.00 0.00 175.02 176.75 2ia1 s THR 102 N 0.63 2.03 0.05 10.11 2.01 0.02 -0.32 115.64 130.18 2ia1 s THR 102 Ca -0.07 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.87 2ia1 s THR 102 Cb -0.10 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 2ia1 s THR 102 CO -0.01 0.57 -0.05 0.72 -0.69 0.00 0.00 174.62 175.16 2ia1 s PHE 103 N -0.31 0.56 0.23 4.92 -0.12 -0.35 -0.89 117.98 122.03 2ia1 s PHE 103 Ca 0.01 -0.71 0.10 0.00 -0.05 0.00 0.00 56.93 56.28 2ia1 s PHE 103 Cb -0.12 -0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 2ia1 s PHE 103 CO 0.02 -0.19 -0.19 0.71 -0.05 0.00 0.00 175.22 175.53 2ia1 s TYR 104 N -2.38 2.06 0.50 3.49 2.02 -0.64 -0.49 117.35 121.92 2ia1 s TYR 104 Ca -0.04 -0.42 0.27 0.00 -0.37 0.00 0.00 57.07 56.51 2ia1 s TYR 104 Cb -0.03 -0.94 1.37 0.00 -0.40 0.00 0.00 41.96 41.96 2ia1 s TYR 104 CO -0.03 0.54 1.89 0.00 -1.57 0.00 0.00 175.55 176.38 2ia1 h ALA 105 N 2.58 2.65 0.00 3.71 0.00 -1.48 -0.27 119.26 126.44 2ia1 h ALA 105 Ca -0.40 -0.02 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 19.07 2ia1 h ALA 105 CO 0.58 -0.90 0.00 0.66 0.00 0.00 0.00 179.25 179.59 2ia1 h SER 106 N 0.11 0.00 0.00 0.00 4.64 -1.96 -3.46 113.55 112.88 2ia1 h SER 106 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2ia1 h SER 106 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 2ia1 h SER 106 CO -0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 2ia1 n GLY 107 N -0.18 0.45 3.75 -0.77 0.00 -0.11 -5.07 105.19 103.26 2ia1 n GLY 107 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2ia1 n GLY 107 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ia1 n LYS 108 N -2.00 1.91 -3.89 1.61 4.81 -1.26 -4.82 118.16 114.52 2ia1 n LYS 108 Ca 0.00 0.69 -0.09 0.00 -0.87 0.00 0.00 58.31 58.04 2ia1 n LYS 108 Cb 0.00 -2.61 -0.07 0.00 0.02 0.00 0.00 35.03 32.37 2ia1 n LYS 108 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2ia1 s PHE 109 N -1.25 0.25 -0.10 5.64 -0.12 -1.26 -1.62 117.98 119.52 2ia1 s PHE 109 Ca 0.68 -0.64 -0.09 0.00 -0.05 0.00 0.00 56.93 56.82 2ia1 s PHE 109 Cb -0.43 -0.04 0.03 0.00 -0.63 0.00 0.00 43.02 41.94 2ia1 s PHE 109 CO 0.52 -0.63 0.26 1.21 -0.05 0.00 0.00 175.22 176.54 2ia1 s ASN 110 N -2.91 -0.28 -0.05 1.98 2.47 -0.07 -4.99 114.94 111.10 2ia1 s ASN 110 Ca 0.10 0.53 0.02 0.00 0.42 0.00 0.00 52.86 53.94 2ia1 s ASN 110 Cb 0.04 0.54 0.01 0.00 -1.45 0.00 0.00 41.25 40.39 2ia1 s ASN 110 CO -0.06 -0.09 -0.08 -0.51 -3.72 0.00 0.00 177.10 172.63 2ia1 s ILE 111 N 0.19 0.81 0.02 -5.21 2.07 -1.26 -0.80 121.20 117.02 2ia1 s ILE 111 Ca -0.00 -0.31 0.05 0.00 -1.41 0.00 0.00 60.65 58.98 2ia1 s ILE 111 Cb -0.02 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 2ia1 s ILE 111 CO -0.00 0.28 -0.16 -1.81 -1.91 0.00 0.00 174.94 171.33 2ia1 s ASP 112 N 0.61 1.92 0.04 4.50 -0.00 -0.54 -5.00 116.67 118.20 2ia1 s ASP 112 Ca -0.10 -0.41 0.05 0.00 -0.00 0.00 0.00 52.55 52.08 2ia1 s ASP 112 Cb -0.13 -0.16 -0.04 0.00 -0.00 0.00 0.00 42.92 42.59 2ia1 s ASP 112 CO 0.02 0.12 -0.08 -0.36 -0.00 0.00 0.00 175.17 174.86 2ia1 s PHE 113 N -0.67 2.83 0.11 4.23 0.08 -1.26 -1.59 117.98 121.71 2ia1 s PHE 113 Ca 0.05 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.04 2ia1 s PHE 113 Cb -0.07 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2ia1 s PHE 113 CO 0.01 0.38 -0.09 0.71 -0.10 0.00 0.00 175.22 176.13 2ia1 s TYR 114 N -1.08 1.05 -0.07 0.36 2.02 -0.11 -5.01 117.35 114.52 2ia1 s TYR 114 Ca 0.19 -0.78 0.11 0.00 -0.37 0.00 0.00 57.07 56.22 2ia1 s TYR 114 Cb -0.11 -0.57 0.19 0.00 -0.40 0.00 0.00 41.96 41.07 2ia1 s TYR 114 CO 0.10 -0.03 1.09 0.66 -1.57 0.00 0.00 175.55 175.80 2ia1 n TYR 115 N 0.13 0.00 -3.59 2.71 4.01 -1.26 -0.82 117.16 118.34 2ia1 n TYR 115 Ca -0.13 -0.57 -0.26 0.00 -0.16 0.00 0.00 57.90 56.78 2ia1 n TYR 115 Cb 0.60 -0.12 -0.02 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 -2.02 6.36 0.27 7.72 1.01 -1.26 -4.83 116.67 123.92 2ia1 s ASP 116 Ca 0.19 0.42 -0.25 0.00 0.71 0.00 0.00 52.55 53.61 2ia1 s ASP 116 Cb 0.18 -2.02 -0.09 0.00 1.01 0.00 0.00 42.92 42.00 2ia1 s ASP 116 CO -0.01 -0.14 0.88 -0.54 0.21 0.00 0.00 175.17 175.57 2ia1 s LYS 117 N -3.70 4.55 -0.23 8.23 1.02 -1.26 -4.74 119.74 123.60 2ia1 s LYS 117 Ca 0.39 1.23 -0.06 0.00 0.02 0.00 0.00 55.97 57.55 2ia1 s LYS 117 Cb -0.10 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 2ia1 s LYS 117 CO 0.31 0.37 0.04 1.21 -0.92 0.00 0.00 175.35 176.36 2ia1 s ASN 118 N -1.51 4.96 0.00 2.83 2.47 -1.26 -4.98 114.94 117.45 2ia1 s ASN 118 Ca 0.46 -0.22 0.30 0.00 0.42 0.00 0.00 52.86 53.81 2ia1 s ASN 118 Cb -0.20 -1.88 1.47 0.00 -1.45 0.00 0.00 41.25 39.20 2ia1 s ASN 118 CO 0.25 -0.00 2.00 -0.81 -3.72 0.00 0.00 177.10 174.81 2ia1 n PRO 119 N 4.71 0.83 -3.97 0.43 -0.04 -1.26 -4.90 135.00 130.80 2ia1 n PRO 119 Ca -0.17 -0.19 -0.31 0.00 -0.04 0.00 0.00 63.50 62.79 2ia1 n PRO 119 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.30 3.41 0.91 0.54 0.08 -1.26 -5.11 117.98 114.25 2ia1 s PHE 120 Ca 0.36 0.20 -0.15 0.00 0.12 0.00 0.00 56.93 57.46 2ia1 s PHE 120 Cb 0.21 -1.72 0.22 0.00 -0.57 0.00 0.00 43.02 41.15 2ia1 s PHE 120 CO 0.43 0.57 0.99 -0.40 -0.10 0.00 0.00 175.22 176.71 2ia1 n ASP 121 N 0.43 -0.94 0.08 1.36 5.68 -1.26 -4.68 116.55 117.22 2ia1 n ASP 121 Ca -0.07 -1.22 -0.13 0.00 -0.50 0.00 0.00 54.79 52.88 2ia1 n ASP 121 Cb 0.51 -0.83 -0.07 0.00 -1.14 0.00 0.00 41.12 39.59 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 -2.09 0.92 0.02 2.12 2.02 -1.99 0.47 112.91 114.38 2ia1 h THR 122 Ca -0.34 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.85 2ia1 h THR 122 Cb 1.00 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2ia1 h THR 122 CO 0.23 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 176.17 2ia1 h PHE 123 N -0.12 -0.27 -0.16 3.16 3.57 -2.00 -1.53 116.94 119.59 2ia1 h PHE 123 Ca -0.01 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 2ia1 h PHE 123 Cb 0.09 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2ia1 h PHE 123 CO -0.07 -0.16 -0.51 1.25 -2.23 0.00 0.00 178.31 176.58 2ia1 h LEU 124 N -0.19 0.50 -0.71 0.59 5.85 -1.92 -2.31 115.31 117.11 2ia1 h LEU 124 Ca 0.03 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2ia1 h LEU 124 Cb 0.23 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 2ia1 h LEU 124 CO -0.09 0.92 0.42 0.74 -0.34 0.00 0.00 178.44 180.10 2ia1 h THR 125 N 0.36 1.03 -0.46 1.05 2.02 -0.62 0.51 112.91 116.79 2ia1 h THR 125 Ca 0.01 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 2ia1 h THR 125 Cb 1.02 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2ia1 h THR 125 CO 0.09 0.15 0.03 -0.09 0.37 0.00 0.00 175.52 176.07 2ia1 h ARG 126 N 0.80 0.79 -0.88 6.66 2.43 -1.05 0.33 114.38 123.46 2ia1 h ARG 126 Ca 0.31 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2ia1 h ARG 126 Cb 0.12 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2ia1 h ARG 126 CO -0.15 0.83 0.56 -0.07 -1.51 0.00 0.00 179.97 179.63 2ia1 h LEU 127 N 0.64 0.92 -0.29 3.80 3.38 -0.92 0.33 115.31 123.18 2ia1 h LEU 127 Ca 0.13 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 2ia1 h LEU 127 Cb 0.45 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ia1 h LEU 127 CO 0.02 0.63 -0.53 0.00 0.09 0.00 0.00 178.44 178.64 2ia1 h ALA 128 N 1.37 0.45 -0.42 1.53 0.00 -0.64 -1.20 119.26 120.36 2ia1 h ALA 128 Ca 0.36 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ia1 h ALA 128 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ia1 h ALA 128 CO -0.13 0.66 0.21 2.35 0.00 0.00 0.00 179.25 182.34 2ia1 h TRP 129 N 0.66 0.59 -0.73 0.00 7.01 -0.55 -1.03 115.95 121.90 2ia1 h TRP 129 Ca 0.02 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 2ia1 h TRP 129 Cb 1.14 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 2ia1 h TRP 129 CO 0.07 0.47 0.36 1.96 -2.79 0.00 0.00 178.44 178.51 2ia1 h GLN 130 N 0.54 1.05 -0.42 2.65 4.20 -0.83 0.67 115.11 122.97 2ia1 h GLN 130 Ca 0.14 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2ia1 h GLN 130 Cb 0.10 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2ia1 h GLN 130 CO -0.02 0.82 0.28 -0.92 -0.67 0.00 0.00 178.83 178.32 2ia1 h TYR 131 N 1.02 0.53 -0.22 2.96 3.20 -0.85 0.24 116.97 123.85 2ia1 h TYR 131 Ca 0.25 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 2ia1 h TYR 131 Cb 0.11 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 2ia1 h TYR 131 CO 0.01 0.33 -0.14 0.93 -1.64 0.00 0.00 178.16 177.65 2ia1 h GLU 132 N 0.57 0.48 -0.01 1.82 4.39 -0.76 0.32 114.58 121.39 2ia1 h GLU 132 Ca 0.16 -0.22 -0.23 0.00 0.34 0.00 0.00 59.36 59.40 2ia1 h GLU 132 Cb -0.06 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2ia1 h GLU 132 CO -0.04 0.78 -0.94 0.45 -1.16 0.00 0.00 179.01 178.10 2ia1 h HIS 133 N 0.18 0.69 0.00 4.33 3.86 -0.82 -3.40 115.15 119.99 2ia1 h HIS 133 Ca 0.04 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2ia1 h HIS 133 Cb 0.65 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2ia1 h HIS 133 CO 0.07 1.19 0.00 1.19 0.86 0.00 0.00 177.93 181.24 2ia1 n PHE 134 N -3.77 0.00 -1.08 2.45 3.72 0.82 -4.96 117.46 114.64 2ia1 n PHE 134 Ca -0.07 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.30 2ia1 n PHE 134 Cb 0.83 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.36 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 0.44 0.59 3.72 1.37 0.00 0.10 -4.99 105.19 106.42 2ia1 n GLY 135 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.01 3.84 -0.54 2.61 2.01 -1.21 -4.92 115.64 115.41 2ia1 s THR 136 Ca 0.00 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.40 2ia1 s THR 136 Cb 0.00 -3.87 0.17 0.00 0.01 0.00 0.00 72.50 68.81 2ia1 s THR 136 CO 0.00 0.13 0.40 -0.63 -0.69 0.00 0.00 174.62 173.82 2ia1 s ILE 137 N 0.86 1.57 0.00 1.82 1.01 -1.26 -4.13 121.20 121.07 2ia1 s ILE 137 Ca 0.59 -3.35 0.00 0.00 0.00 0.00 0.00 60.65 57.89 2ia1 s ILE 137 Cb -0.31 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.11 2ia1 s ILE 137 CO 0.31 -1.10 0.00 -2.65 0.00 0.00 0.00 174.94 171.50 2ia1 n PRO 138 N 2.55 0.00 -1.97 2.79 -0.02 -1.26 -4.98 135.00 132.10 2ia1 n PRO 138 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2ia1 n PRO 138 Cb 0.41 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 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 -0.42 -9.13 -0.01 2.55 -0.08 -1.26 -4.63 116.55 103.58 2ia1 n ASP 140 Ca 0.00 1.36 -0.05 0.00 -1.51 0.00 0.00 54.79 54.59 2ia1 n ASP 140 Cb 0.00 -5.03 0.17 0.00 2.34 0.00 0.00 41.12 38.60 2ia1 n ASP 140 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2ia1 h SER 141 N 3.78 0.55 -0.46 1.67 4.64 -2.01 -1.37 113.55 120.34 2ia1 h SER 141 Ca 0.00 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.02 2ia1 h SER 141 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2ia1 h SER 141 CO 0.00 0.80 -0.12 0.15 -0.87 0.00 0.00 176.83 176.79 2ia1 h PHE 142 N 0.48 1.01 -0.43 4.77 3.04 -1.99 -0.69 116.94 123.13 2ia1 h PHE 142 Ca 0.07 -0.22 -0.11 0.00 3.98 0.00 0.00 57.97 61.69 2ia1 h PHE 142 Cb 0.70 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2ia1 h PHE 142 CO 0.03 0.99 -0.15 1.88 -2.02 0.00 0.00 178.31 179.04 2ia1 h TYR 143 N 0.74 0.98 -0.62 0.41 -1.99 -1.91 -1.43 116.97 113.14 2ia1 h TYR 143 Ca 0.12 -0.22 0.02 0.00 2.00 0.00 0.00 58.73 60.64 2ia1 h TYR 143 Cb 0.67 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 39.13 2ia1 h TYR 143 CO 0.05 0.99 0.39 -0.22 -0.00 0.00 0.00 178.16 179.37 2ia1 h LYS 144 N 0.69 0.76 -0.58 4.88 3.11 -1.15 0.31 116.57 124.59 2ia1 h LYS 144 Ca 0.10 -0.05 -0.06 0.00 -2.81 0.00 0.00 60.65 57.84 2ia1 h LYS 144 Cb 0.70 -0.17 -0.03 0.00 -1.00 0.00 0.00 32.23 31.73 2ia1 h LYS 144 CO 0.05 0.50 0.11 0.93 -2.81 0.00 0.00 179.45 178.24 2ia1 h GLU 145 N 0.78 0.91 -0.28 1.90 5.08 -0.88 -1.68 114.58 120.41 2ia1 h GLU 145 Ca 0.24 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2ia1 h GLU 145 Cb -0.03 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2ia1 h GLU 145 CO -0.08 0.83 0.04 1.15 -1.00 0.00 0.00 179.01 179.95 2ia1 h THR 146 N 0.86 1.23 -0.52 1.13 2.02 -0.92 -2.53 112.91 114.18 2ia1 h THR 146 Ca 0.18 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.63 2ia1 h THR 146 Cb 0.35 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2ia1 h THR 146 CO 0.00 0.26 0.35 0.25 0.37 0.00 0.00 175.52 176.75 2ia1 h LEU 147 N 0.27 0.39 -2.11 2.58 5.85 -0.61 -0.85 115.31 120.84 2ia1 h LEU 147 Ca 0.08 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ia1 h LEU 147 Cb 0.34 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2ia1 h LEU 147 CO 0.01 0.26 0.15 0.78 -0.34 0.00 0.00 178.44 179.29 2ia1 h ASN 148 N 0.45 0.00 -0.73 1.25 2.35 -0.86 -0.93 115.58 117.10 2ia1 h ASN 148 Ca 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2ia1 h ASN 148 Cb 0.32 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 2ia1 h ASN 148 CO -0.06 0.00 0.44 -0.33 -1.65 0.00 0.00 177.43 175.83 2ia1 h GLU 149 N 0.00 0.99 -0.10 0.81 5.08 -1.13 0.65 114.58 120.88 2ia1 h GLU 149 Ca 0.09 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ia1 h GLU 149 Cb 0.39 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ia1 h GLU 149 CO -0.00 0.70 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.73 2ia1 h TYR 150 N 1.00 0.25 -0.51 4.33 5.03 -1.30 -3.04 116.97 122.73 2ia1 h TYR 150 Ca 0.26 -0.07 0.04 0.00 2.58 0.00 0.00 58.73 61.55 2ia1 h TYR 150 Cb -0.03 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 2ia1 h TYR 150 CO -0.01 0.59 0.34 -0.07 -1.32 0.00 0.00 178.16 177.69 2ia1 h LEU 151 N -0.17 0.45 -0.87 2.82 3.38 -1.02 -1.06 115.31 118.84 2ia1 h LEU 151 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2ia1 h LEU 151 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ia1 h LEU 151 CO 0.02 0.31 -0.48 -0.33 0.09 0.00 0.00 178.44 178.05 2ia1 h GLU 152 N 0.52 0.00 -0.10 1.13 5.08 -0.85 0.31 114.58 120.68 2ia1 h GLU 152 Ca 0.21 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2ia1 h GLU 152 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2ia1 h GLU 152 CO -0.06 0.48 -0.33 0.93 -1.00 0.00 0.00 179.01 179.03 2ia1 h GLU 153 N 0.00 0.39 -0.89 2.33 4.39 -1.16 -3.10 114.58 116.53 2ia1 h GLU 153 Ca -0.00 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.46 2ia1 h GLU 153 Cb 0.97 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 2ia1 h GLU 153 CO 0.06 0.92 0.56 0.87 -1.16 0.00 0.00 179.01 180.27 2ia1 h LYS 154 N -0.06 1.01 0.00 2.33 1.79 -0.96 -2.28 116.57 118.41 2ia1 h LYS 154 Ca -0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2ia1 h LYS 154 Cb 0.96 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2ia1 h LYS 154 CO 0.07 0.67 -0.02 0.00 -1.08 0.00 0.00 179.45 179.09 2ia1 h ALA 155 N 1.41 1.90 -0.03 3.86 0.00 -0.94 -0.09 119.26 125.36 2ia1 h ALA 155 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2ia1 h ALA 155 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2ia1 h ALA 155 CO -0.16 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.15 2ia1 n GLN 156 N -4.41 1.17 -0.29 0.00 6.02 -0.89 -4.86 117.38 114.11 2ia1 n GLN 156 Ca -0.03 -0.25 0.00 0.00 -0.01 0.00 0.00 57.00 56.71 2ia1 n GLN 156 Cb 0.10 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.03 2ia1 n GLN 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ia1 n GLY 157 N 0.89 0.82 3.79 1.08 0.00 -0.05 -5.07 105.19 106.65 2ia1 n GLY 157 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.71 4.21 0.06 1.61 1.02 -1.04 -5.02 119.74 119.87 2ia1 s LYS 158 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 55.97 57.37 2ia1 s LYS 158 Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 2ia1 s LYS 158 CO 0.00 -0.07 -0.10 1.03 -0.92 0.00 0.00 175.35 175.29 2ia1 s ARG 159 N -2.70 0.64 -0.49 1.68 1.81 -1.26 -4.22 118.95 114.41 2ia1 s ARG 159 Ca 0.59 -0.85 0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2ia1 s ARG 159 Cb -0.17 -0.47 0.22 0.00 -0.45 0.00 0.00 34.95 34.07 2ia1 s ARG 159 CO 0.22 0.09 0.51 0.66 -0.68 0.00 0.00 175.30 176.10 2ia1 n TYR 160 N 1.33 0.72 0.26 -0.53 4.02 -1.26 -4.97 117.16 116.72 2ia1 n TYR 160 Ca -0.22 -3.70 0.12 0.00 -0.01 0.00 0.00 57.90 54.09 2ia1 n TYR 160 Cb 0.55 -0.25 0.77 0.00 -0.02 0.00 0.00 39.34 40.39 2ia1 n TYR 160 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2ia1 h PRO 161 N 4.70 0.00 0.00 -0.72 0.11 -1.98 -1.45 132.00 132.65 2ia1 h PRO 161 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2ia1 h PRO 161 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2ia1 h PRO 161 CO 0.54 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.30 2ia1 n PHE 162 N -4.20 0.00 0.39 0.65 -1.74 -1.26 -1.69 117.46 109.60 2ia1 n PHE 162 Ca -0.02 0.00 0.06 0.00 -0.56 0.00 0.00 57.45 56.93 2ia1 n PHE 162 Cb 0.14 -0.47 -0.08 0.00 1.52 0.00 0.00 39.48 40.59 2ia1 n PHE 162 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 2ia1 n LEU 163 N -1.47 0.39 -4.88 5.98 4.77 -0.55 -4.78 117.00 116.46 2ia1 n LEU 163 Ca 0.01 -0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.35 2ia1 n LEU 163 Cb 0.05 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 2ia1 n LEU 163 CO 0.04 0.10 0.14 -1.61 -1.33 0.00 0.00 177.39 174.72 2ia1 s GLU 164 N -2.46 3.74 0.98 3.23 2.02 -0.68 -4.57 118.70 120.96 2ia1 s GLU 164 Ca 0.01 0.15 -0.12 0.00 0.02 0.00 0.00 54.97 55.03 2ia1 s GLU 164 Cb 0.09 -2.77 0.18 0.00 0.10 0.00 0.00 34.13 31.73 2ia1 s GLU 164 CO 0.53 0.41 1.09 -1.25 0.02 0.00 0.00 175.26 176.06 2ia1 s PRO 165 N -2.61 0.56 1.12 0.39 0.04 -1.26 -5.01 135.00 128.23 2ia1 s PRO 165 Ca 0.43 0.66 -0.19 0.00 0.04 0.00 0.00 61.00 61.94 2ia1 s PRO 165 Cb -0.12 -1.74 0.29 0.00 0.04 0.00 0.00 34.50 32.97 2ia1 s PRO 165 CO 0.22 -2.68 0.72 1.28 0.04 0.00 0.00 177.00 176.59 2ia1 n LEU 166 N -4.16 0.00 -2.20 -3.56 7.99 -1.26 -5.09 117.00 108.72 2ia1 n LEU 166 Ca 0.06 -0.74 -0.01 0.00 -0.01 0.00 0.00 56.01 55.31 2ia1 n LEU 166 Cb 0.56 -0.78 0.05 0.00 -0.11 0.00 0.00 43.42 43.13 2ia1 n LEU 166 CO 0.57 -2.42 0.25 1.41 -1.51 0.00 0.00 177.39 175.69 2ia1 n HIS 175 N -5.04 -0.18 -3.22 -1.77 8.25 -1.26 -5.23 115.22 106.77 2ia1 n HIS 175 Ca 0.11 -1.40 -0.28 0.00 -0.26 0.00 0.00 57.72 55.89 2ia1 n HIS 175 Cb 0.47 0.43 -0.03 0.00 1.12 0.00 0.00 29.99 31.99 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 -1.23 3.49 0.00 4.41 3.76 -1.26 -5.54 115.29 118.92 2ia1 s HIS 176 Ca 0.19 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.77 2ia1 s HIS 176 Cb 0.32 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.87 2ia1 s HIS 176 CO -0.09 0.09 0.50 1.58 -0.85 0.00 0.00 174.74 175.97