#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ao3 n SER 2 N 0.00 0.48 -4.86 0.00 3.41 -1.26 -4.73 113.62 106.66 1ao3 n SER 2 Ca 0.00 -0.16 -0.36 0.00 -0.26 0.00 0.00 58.87 58.09 1ao3 n SER 2 Cb 0.00 0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1ao3 n SER 2 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ao3 s GLN 3 N -3.02 3.81 0.07 4.33 -1.52 -1.26 -4.88 119.66 117.20 1ao3 s GLN 3 Ca 0.11 0.26 -0.31 0.00 -1.95 0.00 0.00 55.36 53.47 1ao3 s GLN 3 Cb 0.17 -3.09 -0.09 0.00 -0.22 0.00 0.00 33.01 29.78 1ao3 s GLN 3 CO 0.69 0.62 1.70 -1.25 -0.25 0.00 0.00 175.29 176.80 1ao3 s PRO 4 N -1.54 4.18 -0.05 2.91 0.04 -1.25 -4.53 135.00 134.75 1ao3 s PRO 4 Ca 0.28 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1ao3 s PRO 4 Cb -0.15 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 30.78 1ao3 s PRO 4 CO 0.15 -0.77 -0.04 -1.17 0.04 0.00 0.00 177.00 175.22 1ao3 s LEU 5 N 2.79 1.18 -0.35 -3.56 2.96 -0.61 -1.29 118.68 119.81 1ao3 s LEU 5 Ca 0.76 -0.13 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 1ao3 s LEU 5 Cb -0.41 -0.48 0.00 0.00 0.50 0.00 0.00 46.19 45.80 1ao3 s LEU 5 CO 0.33 -0.08 0.23 -1.81 -1.32 0.00 0.00 176.35 173.69 1ao3 s ASP 6 N 1.17 5.88 -0.03 3.68 1.01 0.55 -0.59 116.67 128.34 1ao3 s ASP 6 Ca -0.07 -0.67 0.06 0.00 0.71 0.00 0.00 52.55 52.59 1ao3 s ASP 6 Cb -0.14 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1ao3 s ASP 6 CO -0.01 -0.30 -0.22 0.54 0.21 0.00 0.00 175.17 175.38 1ao3 s VAL 7 N 1.65 1.79 -0.20 -1.27 0.11 -0.01 -1.55 120.40 120.92 1ao3 s VAL 7 Ca 0.05 -0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1ao3 s VAL 7 Cb -0.18 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.16 1ao3 s VAL 7 CO 0.09 0.51 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.70 1ao3 s ILE 8 N -0.39 3.59 -0.51 7.04 1.01 -0.17 -1.82 121.20 129.95 1ao3 s ILE 8 Ca 0.05 -0.43 -0.21 0.00 0.00 0.00 0.00 60.65 60.05 1ao3 s ILE 8 Cb -0.10 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.80 1ao3 s ILE 8 CO 0.00 0.43 0.74 -0.76 0.00 0.00 0.00 174.94 175.36 1ao3 s LEU 9 N 1.16 4.58 -0.75 2.97 1.02 -0.15 -0.90 118.68 126.61 1ao3 s LEU 9 Ca 0.02 -0.60 -0.13 0.00 0.02 0.00 0.00 54.13 53.44 1ao3 s LEU 9 Cb -0.15 -2.64 0.20 0.00 0.02 0.00 0.00 46.19 43.62 1ao3 s LEU 9 CO -0.00 -0.98 0.68 -0.22 0.02 0.00 0.00 176.35 175.85 1ao3 s LEU 10 N 3.12 6.50 0.48 1.79 2.96 0.57 -0.65 118.68 133.45 1ao3 s LEU 10 Ca 0.22 -2.52 -0.21 0.00 -0.22 0.00 0.00 54.13 51.40 1ao3 s LEU 10 Cb -0.16 -2.17 -0.08 0.00 0.50 0.00 0.00 46.19 44.28 1ao3 s LEU 10 CO 0.16 -0.61 1.06 -0.76 -1.32 0.00 0.00 176.35 174.88 1ao3 s LEU 11 N 0.43 3.88 -0.56 -0.68 1.43 0.80 -1.76 118.68 122.22 1ao3 s LEU 11 Ca 0.15 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.99 1ao3 s LEU 11 Cb -0.15 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.62 1ao3 s LEU 11 CO -0.06 -0.81 1.02 -0.62 0.23 0.00 0.00 176.35 176.11 1ao3 s ASP 12 N -1.86 6.37 -0.30 2.29 -1.08 -1.26 -1.40 116.67 119.43 1ao3 s ASP 12 Ca 0.67 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 52.58 1ao3 s ASP 12 Cb -0.19 -2.47 0.71 0.00 -1.46 0.00 0.00 42.92 39.51 1ao3 s ASP 12 CO 0.23 -1.32 1.73 0.61 0.52 0.00 0.00 175.17 176.94 1ao3 n GLY 13 N 5.11 3.76 3.88 2.66 0.00 0.21 -4.85 105.19 115.94 1ao3 n GLY 13 Ca 0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 1ao3 n GLY 13 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ao3 s SER 14 N -1.25 5.16 -0.00 1.61 1.04 -0.73 -0.28 113.70 119.25 1ao3 s SER 14 Ca 0.53 1.10 0.03 0.00 0.48 0.00 0.00 55.95 58.08 1ao3 s SER 14 Cb 0.43 -1.83 0.08 0.00 0.10 0.00 0.00 66.02 64.79 1ao3 s SER 14 CO 0.12 -1.52 1.05 -1.20 0.98 0.00 0.00 173.24 172.67 1ao3 n SER 15 N -3.12 0.51 0.02 7.02 7.64 0.20 -4.39 113.62 121.51 1ao3 n SER 15 Ca 0.07 -2.00 -0.11 0.00 1.01 0.00 0.00 58.87 57.83 1ao3 n SER 15 Cb 0.58 -0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 1ao3 n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ao3 h SER 16 N 0.52 -1.02 -1.44 6.43 0.02 -1.93 -3.44 113.55 112.69 1ao3 h SER 16 Ca 0.00 0.14 -0.60 0.00 -0.84 0.00 0.00 61.79 60.49 1ao3 h SER 16 Cb 0.14 0.42 -0.11 0.00 0.14 0.00 0.00 62.40 63.00 1ao3 h SER 16 CO 0.00 -0.38 -0.53 -0.36 -1.14 0.00 0.00 176.83 174.43 1ao3 s PHE 17 N -5.99 2.45 0.69 3.45 0.08 -1.26 -5.10 117.98 112.29 1ao3 s PHE 17 Ca -0.15 -0.67 -0.17 0.00 0.12 0.00 0.00 56.93 56.06 1ao3 s PHE 17 Cb 0.10 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 1ao3 s PHE 17 CO 0.65 0.26 1.18 -2.30 -0.10 0.00 0.00 175.22 174.91 1ao3 n PRO 18 N -1.16 0.79 0.05 0.24 -0.02 -1.26 -4.86 135.00 128.77 1ao3 n PRO 18 Ca -0.05 0.33 0.03 0.00 -2.02 0.00 0.00 63.50 61.79 1ao3 n PRO 18 Cb 0.66 -2.41 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 1ao3 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ao3 n ALA 19 N -2.29 0.88 0.65 3.55 0.00 -1.26 -0.99 120.51 121.05 1ao3 n ALA 19 Ca 0.15 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1ao3 n ALA 19 Cb 0.49 -0.96 0.38 0.00 0.00 0.00 0.00 19.45 19.35 1ao3 n ALA 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ao3 n SER 20 N -1.68 0.74 0.11 0.00 3.41 -1.26 -2.90 113.62 112.04 1ao3 n SER 20 Ca -0.00 0.48 -0.04 0.00 -0.26 0.00 0.00 58.87 59.05 1ao3 n SER 20 Cb 0.08 -0.60 0.13 0.00 -0.26 0.00 0.00 64.21 63.57 1ao3 n SER 20 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1ao3 h TYR 21 N 0.00 0.16 -0.31 7.33 -1.99 -1.40 -3.09 116.97 117.66 1ao3 h TYR 21 Ca 0.00 -0.07 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1ao3 h TYR 21 Cb 0.72 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 1ao3 h TYR 21 CO 0.00 0.72 0.00 0.35 -0.00 0.00 0.00 178.16 179.23 1ao3 h PHE 22 N 0.09 0.49 0.00 4.88 3.57 -1.69 -1.26 116.94 123.02 1ao3 h PHE 22 Ca -0.01 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1ao3 h PHE 22 Cb 1.14 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 1ao3 h PHE 22 CO 0.01 0.49 -0.15 -0.44 -2.23 0.00 0.00 178.31 175.99 1ao3 h ASP 23 N 0.46 0.00 0.47 0.41 5.19 -1.63 -0.81 116.42 120.51 1ao3 h ASP 23 Ca 0.10 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.31 1ao3 h ASP 23 Cb 0.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1ao3 h ASP 23 CO 0.01 0.15 -0.86 -0.08 -3.12 0.00 0.00 179.24 175.34 1ao3 h GLU 24 N 0.00 0.27 -0.15 3.56 4.57 -1.31 -1.83 114.58 119.70 1ao3 h GLU 24 Ca -0.00 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 57.76 1ao3 h GLU 24 Cb 0.41 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1ao3 h GLU 24 CO 0.02 0.98 -0.51 0.52 -1.18 0.00 0.00 179.01 178.84 1ao3 h MET 25 N 0.16 0.40 -0.32 1.92 2.86 -0.99 -1.48 114.93 117.47 1ao3 h MET 25 Ca -0.05 -0.23 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 1ao3 h MET 25 Cb 1.48 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 1ao3 h MET 25 CO 0.14 0.82 -0.43 0.87 1.06 0.00 0.00 176.91 179.36 1ao3 h LYS 26 N 0.32 0.82 -0.34 1.72 1.57 -1.12 -1.28 116.57 118.25 1ao3 h LYS 26 Ca 0.01 -0.45 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 1ao3 h LYS 26 Cb 1.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 1ao3 h LYS 26 CO 0.09 1.08 -0.22 0.77 -0.57 0.00 0.00 179.45 180.60 1ao3 h SER 27 N 0.66 0.67 -0.16 0.86 0.02 -1.11 -1.15 113.55 113.34 1ao3 h SER 27 Ca 0.04 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1ao3 h SER 27 Cb 1.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1ao3 h SER 27 CO 0.10 0.89 0.07 0.15 -1.14 0.00 0.00 176.83 176.89 1ao3 h PHE 28 N 0.59 0.24 -0.56 3.45 3.57 -1.13 -1.77 116.94 121.32 1ao3 h PHE 28 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1ao3 h PHE 28 Cb 0.70 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1ao3 h PHE 28 CO 0.03 0.30 0.29 0.00 -2.23 0.00 0.00 178.31 176.70 1ao3 h ALA 29 N 0.91 0.72 -0.71 2.41 0.00 -1.00 0.01 119.26 121.61 1ao3 h ALA 29 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ao3 h ALA 29 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ao3 h ALA 29 CO -0.00 0.26 0.21 0.87 0.00 0.00 0.00 179.25 180.58 1ao3 h LYS 30 N 0.75 1.10 -0.32 0.00 1.57 -1.18 -0.68 116.57 117.81 1ao3 h LYS 30 Ca 0.19 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ao3 h LYS 30 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1ao3 h LYS 30 CO -0.03 0.95 0.07 0.00 -0.57 0.00 0.00 179.45 179.88 1ao3 h ALA 31 N 1.16 0.43 -0.35 3.86 0.00 -1.02 -0.43 119.26 122.91 1ao3 h ALA 31 Ca 0.23 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ao3 h ALA 31 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ao3 h ALA 31 CO -0.00 0.10 0.18 0.35 0.00 0.00 0.00 179.25 179.87 1ao3 h PHE 32 N 0.36 0.34 -0.51 0.00 3.04 -0.77 -2.22 116.94 117.18 1ao3 h PHE 32 Ca 0.10 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1ao3 h PHE 32 Cb 0.30 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 1ao3 h PHE 32 CO 0.02 0.19 0.20 0.82 -2.02 0.00 0.00 178.31 177.52 1ao3 h ILE 33 N 0.38 1.19 0.00 1.41 2.04 -0.93 -1.60 117.51 119.99 1ao3 h ILE 33 Ca 0.14 -0.58 -0.08 0.00 1.00 0.00 0.00 64.86 65.34 1ao3 h ILE 33 Cb 0.04 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ao3 h ILE 33 CO -0.09 0.23 -0.39 0.28 0.00 0.00 0.00 178.15 178.18 1ao3 h SER 34 N 0.72 0.00 0.22 1.72 0.02 -0.49 -3.13 113.55 112.61 1ao3 h SER 34 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1ao3 h SER 34 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1ao3 h SER 34 CO -0.02 0.39 -1.51 0.29 -1.14 0.00 0.00 176.83 174.84 1ao3 n LYS 35 N -3.80 0.47 -2.04 3.45 5.02 -0.96 -4.97 118.16 115.34 1ao3 n LYS 35 Ca -0.01 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 1ao3 n LYS 35 Cb 0.46 -1.57 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1ao3 n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ao3 s ALA 36 N -3.35 2.56 -1.25 7.82 0.00 -0.64 -4.91 121.76 122.00 1ao3 s ALA 36 Ca -0.02 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1ao3 s ALA 36 Cb 0.14 -3.40 0.16 0.00 0.00 0.00 0.00 23.12 20.01 1ao3 s ALA 36 CO 0.86 -1.07 1.62 -1.71 0.00 0.00 0.00 175.76 175.46 1ao3 n ASN 37 N -1.66 5.12 -4.69 0.00 4.05 -1.26 -4.99 115.26 111.83 1ao3 n ASN 37 Ca 0.12 -3.01 -0.42 0.00 0.45 0.00 0.00 54.58 51.72 1ao3 n ASN 37 Cb 0.50 -1.56 -0.03 0.00 1.23 0.00 0.00 39.78 39.93 1ao3 n ASN 37 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1ao3 s ILE 38 N 1.48 3.82 -0.29 -1.44 -1.09 -1.26 -0.83 121.20 121.60 1ao3 s ILE 38 Ca 0.43 1.22 -0.35 0.00 -2.23 0.00 0.00 60.65 59.72 1ao3 s ILE 38 Cb 0.02 -3.78 0.17 0.00 -1.58 0.00 0.00 42.46 37.29 1ao3 s ILE 38 CO 0.01 0.02 1.38 -0.83 -1.23 0.00 0.00 174.94 174.29 1ao3 s GLY 39 N 1.63 -0.10 0.62 6.18 0.00 -0.48 -4.82 107.32 110.35 1ao3 s GLY 39 Ca 0.62 2.24 0.40 0.00 0.00 0.00 0.00 44.72 47.98 1ao3 s GLY 39 CO 0.26 0.80 2.24 -0.56 0.00 0.00 0.00 173.10 175.84 1ao3 h PRO 40 N 2.01 0.00 -0.01 2.90 0.13 -1.84 -2.34 132.00 132.85 1ao3 h PRO 40 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1ao3 h PRO 40 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ao3 h PRO 40 CO 0.19 0.01 -0.04 0.54 -0.23 0.00 0.00 178.00 178.48 1ao3 n ARG 41 N -3.17 0.83 0.00 0.86 1.74 -1.26 -4.96 116.66 110.70 1ao3 n ARG 41 Ca -0.02 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 1ao3 n ARG 41 Cb 0.15 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1ao3 n ARG 41 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ao3 n LEU 42 N 0.48 0.00 -4.83 0.55 7.99 -0.88 -3.94 117.00 116.37 1ao3 n LEU 42 Ca 0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 55.69 1ao3 n LEU 42 Cb 0.27 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.52 1ao3 n LEU 42 CO 0.08 0.00 -0.04 -0.89 -1.51 0.00 0.00 177.39 175.03 1ao3 s THR 43 N 3.11 5.28 -0.11 -5.08 2.01 -0.01 -1.57 115.64 119.28 1ao3 s THR 43 Ca 0.00 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.53 1ao3 s THR 43 Cb 0.00 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.96 1ao3 s THR 43 CO 0.00 0.56 -0.18 -1.10 -0.69 0.00 0.00 174.62 173.22 1ao3 s GLN 44 N -0.77 2.48 -0.10 4.92 -1.52 0.24 -1.39 119.66 123.52 1ao3 s GLN 44 Ca 0.18 -0.66 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1ao3 s GLN 44 Cb -0.14 -2.05 -0.02 0.00 -0.22 0.00 0.00 33.01 30.59 1ao3 s GLN 44 CO 0.07 -0.03 -0.16 0.08 -0.25 0.00 0.00 175.29 175.01 1ao3 s VAL 45 N 0.88 2.83 0.03 1.09 1.01 -1.26 -0.83 120.40 124.14 1ao3 s VAL 45 Ca -0.08 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.22 1ao3 s VAL 45 Cb -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1ao3 s VAL 45 CO -0.01 0.55 -0.23 -0.55 0.00 0.00 0.00 175.10 174.86 1ao3 s SER 46 N 0.04 2.72 -0.20 3.32 0.15 -0.75 -4.79 113.70 114.18 1ao3 s SER 46 Ca -0.06 -0.51 0.01 0.00 0.70 0.00 0.00 55.95 56.09 1ao3 s SER 46 Cb -0.15 -0.25 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1ao3 s SER 46 CO 0.05 0.22 -0.17 -0.69 1.20 0.00 0.00 173.24 173.85 1ao3 s VAL 47 N -0.72 2.20 0.30 4.45 1.01 -0.10 -0.98 120.40 126.56 1ao3 s VAL 47 Ca 0.09 -1.01 0.11 0.00 0.00 0.00 0.00 61.98 61.17 1ao3 s VAL 47 Cb -0.09 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1ao3 s VAL 47 CO 0.01 0.44 -0.17 -0.76 0.00 0.00 0.00 175.10 174.62 1ao3 s LEU 48 N 1.28 2.63 0.01 3.92 1.02 0.17 -1.86 118.68 125.85 1ao3 s LEU 48 Ca 0.03 -1.08 -0.03 0.00 0.02 0.00 0.00 54.13 53.08 1ao3 s LEU 48 Cb -0.14 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 45.00 1ao3 s LEU 48 CO -0.11 -0.04 0.03 0.00 0.02 0.00 0.00 176.35 176.26 1ao3 s GLN 49 N -3.54 0.37 0.22 1.70 -2.07 -0.74 -0.14 119.66 115.46 1ao3 s GLN 49 Ca 0.31 -0.54 0.11 0.00 -1.82 0.00 0.00 55.36 53.42 1ao3 s GLN 49 Cb -0.03 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 1ao3 s GLN 49 CO 0.15 -0.07 -0.21 1.52 -1.32 0.00 0.00 175.29 175.36 1ao3 s TYR 50 N -1.45 2.34 0.00 9.60 1.13 -0.49 -1.10 117.35 127.38 1ao3 s TYR 50 Ca -0.15 -0.33 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1ao3 s TYR 50 Cb -0.09 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.66 1ao3 s TYR 50 CO -0.00 0.57 0.00 0.41 -2.51 0.00 0.00 175.55 174.02 1ao3 n GLY 51 N -0.04 1.06 0.33 5.49 0.00 -1.26 0.64 105.19 111.41 1ao3 n GLY 51 Ca -0.10 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1ao3 n GLY 51 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ao3 h SER 52 N 0.00 0.60 -5.38 1.61 0.02 -1.39 -3.40 113.55 105.61 1ao3 h SER 52 Ca 0.00 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1ao3 h SER 52 Cb 0.00 -0.15 -0.15 0.00 0.14 0.00 0.00 62.40 62.25 1ao3 h SER 52 CO 0.00 0.43 -0.63 0.27 -1.14 0.00 0.00 176.83 175.76 1ao3 s ILE 53 N -5.61 0.12 -0.20 3.27 -4.36 -1.26 -4.99 121.20 108.17 1ao3 s ILE 53 Ca -0.09 -1.86 -0.10 0.00 -0.26 0.00 0.00 60.65 58.34 1ao3 s ILE 53 Cb 0.18 -1.94 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 1ao3 s ILE 53 CO 0.75 -0.54 0.15 -0.89 0.24 0.00 0.00 174.94 174.64 1ao3 s THR 54 N -4.02 5.40 -0.05 8.37 2.01 -1.26 -4.47 115.64 121.62 1ao3 s THR 54 Ca 0.21 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.47 1ao3 s THR 54 Cb 0.07 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1ao3 s THR 54 CO -0.00 0.43 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.31 1ao3 s THR 55 N 0.42 2.99 -0.43 -0.82 2.01 -0.26 -4.97 115.64 114.58 1ao3 s THR 55 Ca 0.09 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 1ao3 s THR 55 Cb -0.11 -2.16 0.04 0.00 0.01 0.00 0.00 72.50 70.27 1ao3 s THR 55 CO -0.01 0.59 0.32 -0.63 -0.69 0.00 0.00 174.62 174.20 1ao3 s ILE 56 N -0.71 5.15 -0.18 1.82 1.01 -1.26 -1.80 121.20 125.23 1ao3 s ILE 56 Ca 0.11 -0.84 0.18 0.00 0.00 0.00 0.00 60.65 60.10 1ao3 s ILE 56 Cb -0.11 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.16 1ao3 s ILE 56 CO 0.00 -0.40 0.12 0.47 0.00 0.00 0.00 174.94 175.14 1ao3 n ASP 57 N 5.15 0.08 -3.78 3.58 8.00 -0.78 -4.73 116.55 124.06 1ao3 n ASP 57 Ca -0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 1ao3 n ASP 57 Cb 0.46 1.12 -0.15 0.00 -0.02 0.00 0.00 41.12 42.53 1ao3 n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ao3 s VAL 58 N -2.61 1.18 0.93 2.53 1.01 -0.96 -4.92 120.40 117.55 1ao3 s VAL 58 Ca -0.10 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.06 1ao3 s VAL 58 Cb 0.07 -1.88 0.19 0.00 0.00 0.00 0.00 36.38 34.75 1ao3 s VAL 58 CO 0.83 -0.68 1.29 -2.16 0.00 0.00 0.00 175.10 174.37 1ao3 s PRO 59 N 1.37 0.82 0.40 2.72 0.04 -1.26 -0.92 135.00 138.17 1ao3 s PRO 59 Ca 0.11 -0.41 -0.26 0.00 0.04 0.00 0.00 61.00 60.48 1ao3 s PRO 59 Cb -0.18 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ao3 s PRO 59 CO -0.20 -2.29 1.27 -1.58 0.04 0.00 0.00 177.00 174.25 1ao3 s TRP 60 N -3.82 2.88 -0.09 0.56 0.23 -1.26 -4.74 118.94 112.70 1ao3 s TRP 60 Ca 0.72 1.44 -0.04 0.00 -2.03 0.00 0.00 56.10 56.20 1ao3 s TRP 60 Cb -0.05 -3.61 0.05 0.00 0.03 0.00 0.00 33.47 29.89 1ao3 s TRP 60 CO 0.52 -1.92 0.19 1.21 0.96 0.00 0.00 176.95 177.91 1ao3 s ASN 61 N -0.81 0.29 0.37 2.95 3.04 -1.26 -4.97 114.94 114.56 1ao3 s ASN 61 Ca 0.57 0.40 0.14 0.00 0.04 0.00 0.00 52.86 54.00 1ao3 s ASN 61 Cb -0.37 0.34 0.72 0.00 -1.54 0.00 0.00 41.25 40.41 1ao3 s ASN 61 CO 0.47 -0.21 1.81 0.58 -3.04 0.00 0.00 177.10 176.71 1ao3 h VAL 62 N 6.20 1.19 -2.28 -5.21 2.07 -1.95 -3.30 116.25 112.97 1ao3 h VAL 62 Ca -0.26 -1.36 -0.60 0.00 0.82 0.00 0.00 66.70 65.30 1ao3 h VAL 62 Cb 1.13 1.75 -0.42 0.00 -1.52 0.00 0.00 31.29 32.23 1ao3 h VAL 62 CO 0.25 0.38 -0.63 0.52 0.02 0.00 0.00 177.57 178.12 1ao3 n VAL 63 N -3.96 2.06 -2.51 2.57 0.31 -1.26 -4.66 118.33 110.88 1ao3 n VAL 63 Ca -0.02 -5.09 -0.41 0.00 -0.01 0.00 0.00 64.34 58.81 1ao3 n VAL 63 Cb 0.43 -2.10 -0.04 0.00 -0.91 0.00 0.00 33.84 31.23 1ao3 n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ao3 s PRO 64 N -2.26 4.55 -0.16 5.55 0.04 -1.24 -5.06 135.00 136.42 1ao3 s PRO 64 Ca 0.38 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1ao3 s PRO 64 Cb 0.13 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1ao3 s PRO 64 CO -0.04 -0.02 -0.14 -1.21 0.04 0.00 0.00 177.00 175.64 1ao3 s GLU 65 N 0.14 2.26 0.30 4.56 0.41 -1.26 -4.92 118.70 120.19 1ao3 s GLU 65 Ca 0.52 -0.62 0.05 0.00 -0.41 0.00 0.00 54.97 54.51 1ao3 s GLU 65 Cb -0.29 -2.18 0.80 0.00 -1.78 0.00 0.00 34.13 30.68 1ao3 s GLU 65 CO 0.33 -0.28 1.66 0.87 -0.49 0.00 0.00 175.26 177.35 1ao3 h LYS 66 N 8.03 0.27 -0.97 1.61 1.57 -1.96 0.92 116.57 126.03 1ao3 h LYS 66 Ca -0.36 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1ao3 h LYS 66 Cb 1.13 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.31 1ao3 h LYS 66 CO 0.52 0.18 0.63 0.00 -0.57 0.00 0.00 179.45 180.21 1ao3 h ALA 67 N 1.78 1.46 -0.10 3.86 0.00 -1.99 -0.87 119.26 123.40 1ao3 h ALA 67 Ca 0.59 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.27 1ao3 h ALA 67 Cb 1.22 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ao3 h ALA 67 CO -0.61 0.38 -0.83 0.45 0.00 0.00 0.00 179.25 178.64 1ao3 h HIS 68 N 1.10 0.90 -0.17 0.00 3.86 -1.29 -2.42 115.15 117.12 1ao3 h HIS 68 Ca 0.43 -0.42 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1ao3 h HIS 68 Cb 0.23 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1ao3 h HIS 68 CO -0.00 1.23 0.06 -0.07 0.86 0.00 0.00 177.93 180.01 1ao3 h LEU 69 N 0.42 0.08 -0.74 2.43 3.38 -0.51 -1.74 115.31 118.63 1ao3 h LEU 69 Ca -0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ao3 h LEU 69 Cb 1.45 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1ao3 h LEU 69 CO 0.16 0.07 0.46 -0.07 0.09 0.00 0.00 178.44 179.15 1ao3 h LEU 70 N 0.15 0.88 -0.92 1.67 3.38 -1.19 -1.74 115.31 117.54 1ao3 h LEU 70 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ao3 h LEU 70 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1ao3 h LEU 70 CO -0.07 0.67 0.58 0.28 0.09 0.00 0.00 178.44 179.99 1ao3 h SER 71 N 1.01 1.08 -0.27 -0.43 0.02 -1.13 0.21 113.55 114.04 1ao3 h SER 71 Ca 0.27 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1ao3 h SER 71 Cb -0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1ao3 h SER 71 CO -0.05 0.81 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.29 1ao3 h LEU 72 N 1.26 0.64 -0.17 5.07 4.07 -0.76 -2.79 115.31 122.62 1ao3 h LEU 72 Ca 0.33 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 58.05 1ao3 h LEU 72 Cb -0.10 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 1ao3 h LEU 72 CO -0.07 0.76 -0.18 0.58 -1.08 0.00 0.00 178.44 178.46 1ao3 h VAL 73 N 0.61 1.34 -0.88 1.22 2.07 -0.53 -3.24 116.25 116.83 1ao3 h VAL 73 Ca 0.11 -1.34 0.22 0.00 0.82 0.00 0.00 66.70 66.51 1ao3 h VAL 73 Cb 0.50 1.82 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 1ao3 h VAL 73 CO 0.03 0.40 0.37 0.44 0.02 0.00 0.00 177.57 178.83 1ao3 h ASP 74 N 0.08 0.28 1.24 0.57 3.32 -0.75 0.25 116.42 121.41 1ao3 h ASP 74 Ca 0.03 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ao3 h ASP 74 Cb 0.72 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1ao3 h ASP 74 CO 0.04 -0.02 0.00 1.62 -1.72 0.00 0.00 179.24 179.17 1ao3 h VAL 75 N 0.37 0.00 -3.70 -1.35 3.04 -1.52 -3.46 116.25 109.63 1ao3 h VAL 75 Ca 0.55 -0.46 -0.56 0.00 -1.01 0.00 0.00 66.70 65.22 1ao3 h VAL 75 Cb 1.04 1.37 0.13 0.00 -2.01 0.00 0.00 31.29 31.82 1ao3 h VAL 75 CO -0.54 0.00 0.54 0.23 -1.01 0.00 0.00 177.57 176.79 1ao3 n MET 76 N -2.46 1.93 -3.81 4.17 2.81 0.08 -5.02 117.12 114.82 1ao3 n MET 76 Ca 0.04 0.69 -0.12 0.00 -1.81 0.00 0.00 57.70 56.49 1ao3 n MET 76 Cb 0.36 -2.45 -0.12 0.00 -0.71 0.00 0.00 33.22 30.29 1ao3 n MET 76 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1ao3 s GLN 77 N -2.37 0.20 0.50 0.03 -1.52 -1.26 -5.08 119.66 110.16 1ao3 s GLN 77 Ca 0.63 0.24 -0.23 0.00 -1.95 0.00 0.00 55.36 54.05 1ao3 s GLN 77 Cb -0.48 0.10 -0.06 0.00 -0.22 0.00 0.00 33.01 32.35 1ao3 s GLN 77 CO 0.56 -0.02 1.39 2.89 -0.25 0.00 0.00 175.29 179.86 1ao3 n ARG 78 N 2.98 1.94 0.08 2.91 1.85 -1.26 -4.96 116.66 120.20 1ao3 n ARG 78 Ca -0.12 0.70 -0.10 0.00 -1.00 0.00 0.00 57.85 57.32 1ao3 n ARG 78 Cb 0.59 -2.60 -0.01 0.00 -1.05 0.00 0.00 32.46 29.39 1ao3 n ARG 78 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ao3 h GLU 79 N 1.81 0.29 0.00 2.89 4.39 -1.88 -3.50 114.58 118.57 1ao3 h GLU 79 Ca -0.51 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 58.88 1ao3 h GLU 79 Cb 1.29 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1ao3 h GLU 79 CO 0.59 1.00 0.00 0.41 -1.16 0.00 0.00 179.01 179.85 1ao3 n GLY 80 N 0.85 -1.69 0.00 -3.84 0.00 0.62 -4.76 105.19 96.36 1ao3 n GLY 80 Ca -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1ao3 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ao3 n GLY 81 N -1.98 -3.02 3.80 -0.02 0.00 -1.26 -1.43 105.19 101.27 1ao3 n GLY 81 Ca 0.00 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.54 1ao3 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ao3 s PRO 82 N -0.99 2.32 -0.99 1.61 0.04 -1.26 -0.63 135.00 135.10 1ao3 s PRO 82 Ca 0.00 0.84 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 1ao3 s PRO 82 Cb 0.00 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1ao3 s PRO 82 CO 0.00 -1.50 1.25 -1.12 0.04 0.00 0.00 177.00 175.66 1ao3 s SER 83 N -3.75 6.64 -0.95 6.66 0.01 -1.26 -4.06 113.70 116.99 1ao3 s SER 83 Ca 0.60 -2.00 -0.09 0.00 1.31 0.00 0.00 55.95 55.77 1ao3 s SER 83 Cb -0.15 -2.44 0.24 0.00 0.21 0.00 0.00 66.02 63.88 1ao3 s SER 83 CO 0.55 -1.14 0.89 -1.10 0.41 0.00 0.00 173.24 172.85 1ao3 s GLN 84 N 3.18 3.74 0.12 12.44 -0.21 -1.26 -0.61 119.66 137.05 1ao3 s GLN 84 Ca 0.37 -2.92 -0.12 0.00 0.02 0.00 0.00 55.36 52.71 1ao3 s GLN 84 Cb -0.03 -4.36 -0.07 0.00 1.00 0.00 0.00 33.01 29.54 1ao3 s GLN 84 CO -0.08 -1.26 1.43 0.82 -2.12 0.00 0.00 175.29 174.08 1ao3 h ILE 85 N 4.23 1.28 -0.47 1.08 2.04 -1.92 -2.26 117.51 121.50 1ao3 h ILE 85 Ca 0.14 -1.59 0.06 0.00 1.00 0.00 0.00 64.86 64.46 1ao3 h ILE 85 Cb 0.93 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1ao3 h ILE 85 CO 0.88 0.52 0.18 1.23 0.00 0.00 0.00 178.15 180.96 1ao3 h GLY 86 N 0.64 0.62 0.90 5.37 0.00 -1.80 0.10 103.07 108.90 1ao3 h GLY 86 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1ao3 h GLY 86 CO 0.10 0.03 0.03 -1.80 0.00 0.00 0.00 176.54 174.90 1ao3 h ASP 87 N 0.36 0.53 -0.53 0.19 3.58 -1.83 -2.19 116.42 116.53 1ao3 h ASP 87 Ca 0.22 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1ao3 h ASP 87 Cb 0.20 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1ao3 h ASP 87 CO -0.21 0.68 0.25 0.00 -2.88 0.00 0.00 179.24 177.08 1ao3 h ALA 88 N 0.87 0.68 -0.39 -0.78 0.00 -0.87 -2.35 119.26 116.42 1ao3 h ALA 88 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ao3 h ALA 88 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ao3 h ALA 88 CO 0.01 0.24 -0.22 1.25 0.00 0.00 0.00 179.25 180.54 1ao3 h LEU 89 N 0.71 0.78 -0.69 0.00 5.85 -0.76 -1.82 115.31 119.37 1ao3 h LEU 89 Ca 0.18 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1ao3 h LEU 89 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ao3 h LEU 89 CO -0.02 0.98 -0.06 1.23 -0.34 0.00 0.00 178.44 180.23 1ao3 h GLY 90 N 0.96 1.03 0.90 3.75 0.00 -1.28 -1.26 103.07 107.18 1ao3 h GLY 90 Ca 0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1ao3 h GLY 90 CO 0.06 0.71 0.08 -2.75 0.00 0.00 0.00 176.54 174.64 1ao3 h PHE 91 N 0.87 0.26 -0.97 5.60 3.57 -1.31 -2.27 116.94 122.69 1ao3 h PHE 91 Ca 0.15 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ao3 h PHE 91 Cb 0.59 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 1ao3 h PHE 91 CO 0.04 0.30 0.60 0.00 -2.23 0.00 0.00 178.31 177.02 1ao3 h ALA 92 N 0.94 1.24 -0.75 2.41 0.00 -1.17 -0.95 119.26 120.98 1ao3 h ALA 92 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ao3 h ALA 92 Cb 0.14 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1ao3 h ALA 92 CO -0.01 0.67 0.29 0.28 0.00 0.00 0.00 179.25 180.48 1ao3 h VAL 93 N 1.33 1.25 -0.04 0.00 2.07 -1.05 -2.20 116.25 117.62 1ao3 h VAL 93 Ca 0.35 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 1ao3 h VAL 93 Cb -0.09 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1ao3 h VAL 93 CO -0.07 0.33 -0.66 0.03 0.02 0.00 0.00 177.57 177.22 1ao3 h ARG 94 N 1.09 0.17 0.00 1.57 3.08 -0.79 -2.29 114.38 117.21 1ao3 h ARG 94 Ca 0.25 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1ao3 h ARG 94 Cb 0.22 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ao3 h ARG 94 CO -0.02 0.76 -0.43 -0.92 -1.07 0.00 0.00 179.97 178.30 1ao3 h TYR 95 N 0.12 0.00 0.00 3.04 3.20 -1.03 -1.76 116.97 120.53 1ao3 h TYR 95 Ca -0.01 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1ao3 h TYR 95 Cb 1.18 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 1ao3 h TYR 95 CO 0.02 0.43 -0.45 1.25 -1.64 0.00 0.00 178.16 177.76 1ao3 h LEU 96 N 0.00 0.00 -2.69 2.82 5.85 -1.18 -3.22 115.31 116.89 1ao3 h LEU 96 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ao3 h LEU 96 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1ao3 h LEU 96 CO 0.06 0.17 0.00 0.35 -0.34 0.00 0.00 178.44 178.68 1ao3 n THR 97 N -3.02 0.86 -2.92 1.05 -2.24 -0.88 -4.77 114.28 102.35 1ao3 n THR 97 Ca 0.02 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.43 1ao3 n THR 97 Cb 0.61 0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1ao3 n THR 97 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ao3 s SER 98 N -0.98 6.30 0.16 3.42 0.15 -0.67 -4.92 113.70 117.15 1ao3 s SER 98 Ca 0.20 -0.53 -0.14 0.00 0.70 0.00 0.00 55.95 56.18 1ao3 s SER 98 Cb 0.11 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.07 1ao3 s SER 98 CO 0.14 -1.15 1.74 1.05 1.20 0.00 0.00 173.24 176.22 1ao3 h GLU 99 N 9.24 0.76 0.00 5.44 9.09 -1.90 -2.33 114.58 134.88 1ao3 h GLU 99 Ca -0.27 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.03 1ao3 h GLU 99 Cb 1.08 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1ao3 h GLU 99 CO 1.06 0.63 0.00 0.00 0.05 0.00 0.00 179.01 180.76 1ao3 n MET 100 N -4.58 0.25 -0.02 1.06 0.00 -1.26 -2.73 117.12 109.84 1ao3 n MET 100 Ca 0.02 0.12 0.08 0.00 0.00 0.00 0.00 57.70 57.93 1ao3 n MET 100 Cb 0.13 -1.50 -0.16 0.00 0.00 0.00 0.00 33.22 31.68 1ao3 n MET 100 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1ao3 n HIS 101 N -1.27 0.05 0.00 3.17 8.25 -0.89 -5.01 115.22 119.53 1ao3 n HIS 101 Ca 0.08 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ao3 n HIS 101 Cb 0.13 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1ao3 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ao3 n GLY 102 N 1.33 1.10 3.77 -1.41 0.00 -1.11 -4.62 105.19 104.26 1ao3 n GLY 102 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1ao3 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ao3 s ALA 103 N -0.99 3.42 -0.11 4.61 0.00 -1.19 -4.93 121.76 122.58 1ao3 s ALA 103 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 1ao3 s ALA 103 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1ao3 s ALA 103 CO 0.00 -0.67 0.61 1.03 0.00 0.00 0.00 175.76 176.73 1ao3 s ARG 104 N -1.91 4.36 0.55 0.00 3.00 -1.26 -4.55 118.95 119.14 1ao3 s ARG 104 Ca 0.51 0.68 0.22 0.00 0.00 0.00 0.00 55.73 57.14 1ao3 s ARG 104 Cb -0.39 -3.47 1.51 0.00 0.00 0.00 0.00 34.95 32.60 1ao3 s ARG 104 CO 0.51 0.04 2.19 -1.35 0.00 0.00 0.00 175.30 176.69 1ao3 h PRO 105 N 6.87 0.00 -0.57 3.54 0.11 -1.94 -2.37 132.00 137.64 1ao3 h PRO 105 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ao3 h PRO 105 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ao3 h PRO 105 CO 0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1ao3 n GLY 106 N -1.45 3.00 3.93 -0.55 0.00 -1.26 -4.97 105.19 103.89 1ao3 n GLY 106 Ca -0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 1ao3 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ao3 s ALA 107 N -2.26 3.90 0.42 4.61 0.00 -0.89 -4.90 121.76 122.64 1ao3 s ALA 107 Ca 0.51 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.30 1ao3 s ALA 107 Cb 0.36 -1.89 -0.08 0.00 0.00 0.00 0.00 23.12 21.50 1ao3 s ALA 107 CO 0.19 0.50 1.11 -1.12 0.00 0.00 0.00 175.76 176.44 1ao3 s SER 108 N -3.17 6.53 -0.10 0.00 0.01 -0.41 -4.81 113.70 111.76 1ao3 s SER 108 Ca 0.36 2.18 0.02 0.00 1.31 0.00 0.00 55.95 59.82 1ao3 s SER 108 Cb -0.11 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.51 1ao3 s SER 108 CO 0.29 -0.66 -0.15 -0.54 0.41 0.00 0.00 173.24 172.59 1ao3 s LYS 109 N -2.52 3.03 -0.04 12.44 3.01 -1.26 -0.33 119.74 134.07 1ao3 s LYS 109 Ca 0.59 -0.72 -0.11 0.00 -1.01 0.00 0.00 55.97 54.73 1ao3 s LYS 109 Cb -0.26 -2.50 0.02 0.00 -1.01 0.00 0.00 37.83 34.08 1ao3 s LYS 109 CO 0.32 0.35 0.26 0.00 0.51 0.00 0.00 175.35 176.79 1ao3 s ALA 110 N -0.03 -0.64 -0.07 5.17 0.00 -0.60 -1.63 121.76 123.97 1ao3 s ALA 110 Ca -0.04 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1ao3 s ALA 110 Cb -0.14 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ao3 s ALA 110 CO 0.04 -0.20 -0.07 0.54 0.00 0.00 0.00 175.76 176.07 1ao3 s VAL 111 N -0.83 0.83 -0.37 0.00 0.11 -0.64 -1.00 120.40 118.48 1ao3 s VAL 111 Ca -0.09 -0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.60 1ao3 s VAL 111 Cb -0.05 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 34.00 1ao3 s VAL 111 CO 0.02 0.31 0.21 -0.69 -3.33 0.00 0.00 175.10 171.61 1ao3 s VAL 112 N 1.17 4.56 -0.19 2.04 1.01 -0.08 -0.75 120.40 128.16 1ao3 s VAL 112 Ca -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1ao3 s VAL 112 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1ao3 s VAL 112 CO -0.02 -0.24 -0.02 -0.51 0.00 0.00 0.00 175.10 174.31 1ao3 s ILE 113 N 1.55 3.80 -0.11 2.22 2.07 -0.81 -0.31 121.20 129.60 1ao3 s ILE 113 Ca 0.02 -0.37 -0.22 0.00 -1.41 0.00 0.00 60.65 58.67 1ao3 s ILE 113 Cb -0.19 -2.70 -0.03 0.00 0.13 0.00 0.00 42.46 39.66 1ao3 s ILE 113 CO 0.07 0.45 0.64 -0.76 -1.91 0.00 0.00 174.94 173.42 1ao3 s LEU 114 N 0.89 4.27 -0.11 8.50 1.02 -0.72 -0.83 118.68 131.68 1ao3 s LEU 114 Ca 0.00 1.02 0.01 0.00 0.02 0.00 0.00 54.13 55.19 1ao3 s LEU 114 Cb -0.14 -2.95 0.02 0.00 0.02 0.00 0.00 46.19 43.13 1ao3 s LEU 114 CO 0.02 -0.13 -0.14 -0.69 0.02 0.00 0.00 176.35 175.42 1ao3 s VAL 115 N 1.04 1.46 0.00 -1.59 1.01 0.04 -4.20 120.40 118.15 1ao3 s VAL 115 Ca 0.33 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1ao3 s VAL 115 Cb -0.17 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1ao3 s VAL 115 CO 0.14 0.44 0.12 0.35 0.00 0.00 0.00 175.10 176.15 1ao3 n THR 116 N 4.35 0.00 -4.15 3.92 -2.24 -1.26 -0.73 114.28 114.17 1ao3 n THR 116 Ca -0.18 -0.37 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 1ao3 n THR 116 Cb 0.51 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 1ao3 n THR 116 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ao3 s ASP 117 N -0.50 1.12 0.17 3.42 2.15 -1.26 -3.85 116.67 117.93 1ao3 s ASP 117 Ca 0.00 -1.56 -0.26 0.00 0.43 0.00 0.00 52.55 51.15 1ao3 s ASP 117 Cb 0.00 0.62 -0.08 0.00 -0.30 0.00 0.00 42.92 43.16 1ao3 s ASP 117 CO 0.00 -1.21 0.80 -0.69 -0.17 0.00 0.00 175.17 173.90 1ao3 s VAL 118 N -3.21 4.34 0.04 1.11 1.01 -1.25 -4.37 120.40 118.07 1ao3 s VAL 118 Ca 0.34 1.77 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1ao3 s VAL 118 Cb 0.01 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1ao3 s VAL 118 CO 0.22 0.51 1.12 -0.55 0.00 0.00 0.00 175.10 176.41 1ao3 s SER 119 N -1.10 7.18 0.30 3.32 0.15 -1.26 -4.73 113.70 117.55 1ao3 s SER 119 Ca 0.37 1.90 0.26 0.00 0.70 0.00 0.00 55.95 59.17 1ao3 s SER 119 Cb -0.23 -2.58 0.96 0.00 -1.71 0.00 0.00 66.02 62.46 1ao3 s SER 119 CO 0.27 -0.40 1.76 -0.37 1.20 0.00 0.00 173.24 175.70 1ao3 h VAL 120 N 4.61 0.00 -1.86 4.45 -1.51 -1.26 -3.45 116.25 117.24 1ao3 h VAL 120 Ca -0.41 -0.37 -0.60 0.00 -1.23 0.00 0.00 66.70 64.08 1ao3 h VAL 120 Cb 1.22 1.22 -0.12 0.00 -2.13 0.00 0.00 31.29 31.48 1ao3 h VAL 120 CO 0.79 0.00 -0.63 1.51 -1.23 0.00 0.00 177.57 178.01 1ao3 s ASP 121 N -4.62 3.99 0.09 4.19 1.47 -1.26 -5.06 116.67 115.48 1ao3 s ASP 121 Ca 0.06 -1.14 -0.30 0.00 1.18 0.00 0.00 52.55 52.35 1ao3 s ASP 121 Cb 0.10 -0.44 -0.06 0.00 -0.34 0.00 0.00 42.92 42.18 1ao3 s ASP 121 CO 0.48 -0.29 1.18 -0.55 0.68 0.00 0.00 175.17 176.67 1ao3 s SER 122 N -3.69 7.11 0.00 2.11 0.15 -1.26 -4.53 113.70 113.59 1ao3 s SER 122 Ca 0.35 2.04 0.24 0.00 0.70 0.00 0.00 55.95 59.28 1ao3 s SER 122 Cb 0.03 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.98 1ao3 s SER 122 CO 0.18 -0.42 1.27 1.33 1.20 0.00 0.00 173.24 176.81 1ao3 n VAL 123 N 3.52 0.00 0.05 4.45 0.24 -1.26 -4.30 118.33 121.04 1ao3 n VAL 123 Ca 0.07 -0.43 -0.12 0.00 -2.04 0.00 0.00 64.34 61.83 1ao3 n VAL 123 Cb 0.46 1.36 -0.06 0.00 -1.47 0.00 0.00 33.84 34.12 1ao3 n VAL 123 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ao3 h ASP 124 N 4.03 -0.10 -0.42 -1.34 3.32 -1.96 -2.02 116.42 117.94 1ao3 h ASP 124 Ca 0.00 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1ao3 h ASP 124 Cb 0.91 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1ao3 h ASP 124 CO 0.00 -0.06 0.05 0.00 -1.72 0.00 0.00 179.24 177.51 1ao3 h ALA 125 N 0.91 0.57 -0.07 3.45 0.00 -1.97 -2.12 119.26 120.02 1ao3 h ALA 125 Ca 0.01 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ao3 h ALA 125 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ao3 h ALA 125 CO -0.02 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.37 1ao3 h ALA 126 N 0.92 1.59 -0.07 0.00 0.00 -1.81 0.11 119.26 120.01 1ao3 h ALA 126 Ca 0.13 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1ao3 h ALA 126 Cb 0.41 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ao3 h ALA 126 CO 0.01 0.30 -0.65 0.00 0.00 0.00 0.00 179.25 178.91 1ao3 h ALA 127 N 1.72 0.77 0.08 0.00 0.00 -1.18 -1.86 119.26 118.80 1ao3 h ALA 127 Ca 0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ao3 h ALA 127 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ao3 h ALA 127 CO 0.02 0.76 -0.04 -0.44 0.00 0.00 0.00 179.25 179.55 1ao3 h ASP 128 N 0.19 -0.09 -1.00 0.00 3.32 -0.65 -2.49 116.42 115.70 1ao3 h ASP 128 Ca -0.01 -0.33 0.13 0.00 0.02 0.00 0.00 57.03 56.83 1ao3 h ASP 128 Cb 1.18 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1ao3 h ASP 128 CO 0.10 0.30 0.62 0.00 -1.72 0.00 0.00 179.24 178.54 1ao3 h ALA 129 N 0.37 1.52 -0.22 3.45 0.00 -0.99 -0.88 119.26 122.51 1ao3 h ALA 129 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ao3 h ALA 129 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ao3 h ALA 129 CO 0.02 0.18 0.09 0.00 0.00 0.00 0.00 179.25 179.54 1ao3 h ALA 130 N 1.55 0.29 -0.18 0.00 0.00 -1.24 -2.67 119.26 117.01 1ao3 h ALA 130 Ca 0.51 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 1ao3 h ALA 130 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1ao3 h ALA 130 CO -0.28 -0.12 -0.38 0.07 0.00 0.00 0.00 179.25 178.54 1ao3 h ARG 131 N 0.20 0.41 0.00 0.00 0.11 -0.85 -0.30 114.38 113.94 1ao3 h ARG 131 Ca 0.07 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1ao3 h ARG 131 Cb 0.18 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1ao3 h ARG 131 CO -0.01 0.73 0.00 -1.13 0.10 0.00 0.00 179.97 179.66 1ao3 n SER 132 N -4.04 0.00 -0.91 0.08 3.41 -0.42 -1.97 113.62 109.76 1ao3 n SER 132 Ca -0.01 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1ao3 n SER 132 Cb 0.48 -0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.20 1ao3 n SER 132 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ao3 n ASN 133 N -1.45 3.47 -3.95 4.04 3.02 -0.98 -4.97 115.26 114.45 1ao3 n ASN 133 Ca 0.08 -2.21 -0.29 0.00 -0.03 0.00 0.00 54.58 52.12 1ao3 n ASN 133 Cb 0.29 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 1ao3 n ASN 133 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ao3 n ARG 134 N 0.61 -4.51 -3.65 3.52 1.74 -0.83 -4.96 116.66 108.57 1ao3 n ARG 134 Ca 0.17 0.52 -0.37 0.00 -0.77 0.00 0.00 57.85 57.39 1ao3 n ARG 134 Cb 0.59 -5.17 -0.11 0.00 -1.02 0.00 0.00 32.46 26.74 1ao3 n ARG 134 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ao3 s VAL 135 N -3.49 5.01 -0.15 1.55 1.01 -0.16 -4.33 120.40 119.84 1ao3 s VAL 135 Ca 0.44 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 1ao3 s VAL 135 Cb -0.22 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1ao3 s VAL 135 CO 0.86 0.29 0.87 -0.89 0.00 0.00 0.00 175.10 176.22 1ao3 s THR 136 N 1.64 4.87 -0.22 3.92 2.01 -0.64 -4.25 115.64 122.97 1ao3 s THR 136 Ca 0.07 1.72 -0.08 0.00 0.31 0.00 0.00 61.69 63.71 1ao3 s THR 136 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1ao3 s THR 136 CO 0.08 0.03 0.10 -0.69 -0.69 0.00 0.00 174.62 173.45 1ao3 s VAL 137 N 2.04 4.89 -0.64 3.82 1.01 -1.26 -1.63 120.40 128.64 1ao3 s VAL 137 Ca 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1ao3 s VAL 137 Cb -0.17 -3.25 0.17 0.00 0.00 0.00 0.00 36.38 33.12 1ao3 s VAL 137 CO 0.14 0.39 0.47 -0.36 0.00 0.00 0.00 175.10 175.74 1ao3 s PHE 138 N 0.88 3.46 -0.11 5.22 0.40 0.07 -4.58 117.98 123.31 1ao3 s PHE 138 Ca 0.05 -2.58 -0.29 0.00 -0.60 0.00 0.00 56.93 53.51 1ao3 s PHE 138 Cb -0.13 -3.29 -0.01 0.00 0.51 0.00 0.00 43.02 40.09 1ao3 s PHE 138 CO 0.03 -0.87 0.98 -2.14 0.70 0.00 0.00 175.22 173.92 1ao3 s PRO 139 N 0.06 4.41 -0.37 0.24 0.02 -1.25 -1.93 135.00 136.18 1ao3 s PRO 139 Ca 0.16 1.34 -0.07 0.00 0.02 0.00 0.00 61.00 62.45 1ao3 s PRO 139 Cb -0.19 -3.55 0.06 0.00 0.02 0.00 0.00 34.50 30.84 1ao3 s PRO 139 CO -0.04 -0.32 0.17 0.42 -0.33 0.00 0.00 177.00 176.90 1ao3 s ILE 140 N 2.03 3.93 -0.00 2.83 1.01 -0.01 -1.55 121.20 129.44 1ao3 s ILE 140 Ca 0.47 -1.29 -0.23 0.00 0.00 0.00 0.00 60.65 59.61 1ao3 s ILE 140 Cb -0.18 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1ao3 s ILE 140 CO 0.17 -0.34 0.67 -0.83 0.00 0.00 0.00 174.94 174.62 1ao3 s GLY 141 N 1.69 2.67 -0.12 6.18 0.00 0.15 -0.78 107.32 117.11 1ao3 s GLY 141 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.88 1ao3 s GLY 141 CO 0.02 0.95 -0.17 -0.42 0.00 0.00 0.00 173.10 173.48 1ao3 s ILE 142 N 0.06 1.67 0.00 0.90 1.01 0.09 -1.05 121.20 123.89 1ao3 s ILE 142 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1ao3 s ILE 142 Cb -0.19 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.77 1ao3 s ILE 142 CO 0.19 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.22 1ao3 n GLY 143 N 4.13 0.44 0.00 6.18 0.00 -0.44 -4.56 105.19 110.94 1ao3 n GLY 143 Ca -0.19 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ao3 n GLY 143 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ao3 n ASP 144 N 1.47 0.49 -0.00 1.61 5.68 -1.26 -4.79 116.55 119.74 1ao3 n ASP 144 Ca 0.00 -1.23 0.10 0.00 -0.50 0.00 0.00 54.79 53.16 1ao3 n ASP 144 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 1ao3 n ASP 144 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ao3 n ARG 145 N -0.12 0.19 -1.75 0.11 1.74 -1.26 -4.98 116.66 110.59 1ao3 n ARG 145 Ca 0.00 -0.04 -0.31 0.00 -0.77 0.00 0.00 57.85 56.73 1ao3 n ARG 145 Cb 0.41 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 1ao3 n ARG 145 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1ao3 s TYR 146 N -3.09 3.27 -0.39 -1.55 -0.85 -1.25 -3.78 117.35 109.71 1ao3 s TYR 146 Ca 0.05 1.39 -0.18 0.00 -0.52 0.00 0.00 57.07 57.81 1ao3 s TYR 146 Cb 0.15 -2.84 0.01 0.00 0.38 0.00 0.00 41.96 39.66 1ao3 s TYR 146 CO 0.87 -1.01 0.49 0.34 -1.52 0.00 0.00 175.55 174.72 1ao3 s ASP 147 N -3.76 6.25 0.36 -0.18 2.15 -1.26 -4.88 116.67 115.34 1ao3 s ASP 147 Ca 0.58 -0.36 0.09 0.00 0.43 0.00 0.00 52.55 53.28 1ao3 s ASP 147 Cb -0.13 -2.25 0.81 0.00 -0.30 0.00 0.00 42.92 41.05 1ao3 s ASP 147 CO 0.51 -0.55 1.88 0.00 -0.17 0.00 0.00 175.17 176.84 1ao3 h ALA 148 N 8.64 1.82 -1.00 3.66 0.00 -1.99 -1.22 119.26 129.17 1ao3 h ALA 148 Ca -0.27 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1ao3 h ALA 148 Cb 1.12 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1ao3 h ALA 148 CO 0.79 -0.05 0.66 0.00 0.00 0.00 0.00 179.25 180.66 1ao3 h ALA 149 N 1.60 1.29 -0.33 0.00 0.00 -2.00 -2.07 119.26 117.75 1ao3 h ALA 149 Ca 0.44 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 1ao3 h ALA 149 Cb 0.68 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ao3 h ALA 149 CO -0.19 0.66 -0.16 1.96 0.00 0.00 0.00 179.25 181.51 1ao3 h GLN 150 N 1.35 0.70 -0.66 0.00 4.20 -1.66 -2.10 115.11 116.94 1ao3 h GLN 150 Ca 0.37 -0.31 0.10 0.00 0.06 0.00 0.00 58.65 58.87 1ao3 h GLN 150 Cb -0.15 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.54 1ao3 h GLN 150 CO -0.08 0.91 0.28 -0.07 -0.67 0.00 0.00 178.83 179.20 1ao3 h LEU 151 N 0.48 0.32 -0.09 1.46 3.38 -1.13 -1.79 115.31 117.93 1ao3 h LEU 151 Ca 0.07 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ao3 h LEU 151 Cb 0.70 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ao3 h LEU 151 CO 0.05 0.18 0.06 -0.09 0.09 0.00 0.00 178.44 178.73 1ao3 h ARG 152 N 0.48 0.12 -0.59 1.13 1.12 -1.18 -2.91 114.38 112.56 1ao3 h ARG 152 Ca 0.33 -0.01 0.08 0.00 -1.11 0.00 0.00 59.98 59.27 1ao3 h ARG 152 Cb 0.39 -0.03 -0.07 0.00 -0.01 0.00 0.00 29.97 30.26 1ao3 h ARG 152 CO -0.30 0.13 0.23 0.82 -3.11 0.00 0.00 179.97 177.74 1ao3 h ILE 153 N 0.09 0.80 -0.99 1.20 2.04 -0.88 -2.18 117.51 117.59 1ao3 h ILE 153 Ca 0.03 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.87 1ao3 h ILE 153 Cb 0.03 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.38 1ao3 h ILE 153 CO -0.01 0.08 0.61 -0.07 0.00 0.00 0.00 178.15 178.76 1ao3 h LEU 154 N 0.42 0.89 -1.54 1.44 4.07 -1.16 -1.35 115.31 118.08 1ao3 h LEU 154 Ca 0.29 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.29 1ao3 h LEU 154 Cb 0.33 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 1ao3 h LEU 154 CO -0.28 0.47 -0.03 0.00 -1.08 0.00 0.00 178.44 177.52 1ao3 h ALA 155 N 1.54 1.02 0.00 1.53 0.00 -1.22 -3.44 119.26 118.69 1ao3 h ALA 155 Ca 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1ao3 h ALA 155 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ao3 h ALA 155 CO -0.27 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1ao3 n GLY 156 N -0.06 -1.10 3.68 0.00 0.00 -0.51 -4.29 105.19 102.91 1ao3 n GLY 156 Ca 0.00 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 1ao3 n GLY 156 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ao3 n PRO 157 N -1.16 2.30 -2.51 1.61 -0.02 -1.26 -0.88 135.00 133.08 1ao3 n PRO 157 Ca 0.00 0.83 -0.21 0.00 -2.02 0.00 0.00 63.50 62.11 1ao3 n PRO 157 Cb 0.00 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 30.84 1ao3 n PRO 157 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ao3 n ALA 158 N 4.17 -0.69 -0.27 3.55 0.00 -1.26 -4.86 120.51 121.15 1ao3 n ALA 158 Ca 0.18 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1ao3 n ALA 158 Cb 0.30 -2.43 0.28 0.00 0.00 0.00 0.00 19.45 17.60 1ao3 n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ao3 n GLY 159 N -1.09 2.45 0.42 0.00 0.00 -0.06 -4.62 105.19 102.30 1ao3 n GLY 159 Ca -0.22 -0.71 0.22 0.00 0.00 0.00 0.00 46.02 45.32 1ao3 n GLY 159 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ao3 h ASP 160 N 3.88 0.23 0.46 1.61 3.58 -1.88 0.48 116.42 124.78 1ao3 h ASP 160 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ao3 h ASP 160 Cb 0.94 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1ao3 h ASP 160 CO 0.00 0.09 0.00 -1.20 -2.88 0.00 0.00 179.24 175.25 1ao3 n SER 161 N -4.42 0.00 0.02 2.28 7.64 -1.26 -2.78 113.62 115.10 1ao3 n SER 161 Ca 0.18 0.06 0.11 0.00 1.01 0.00 0.00 58.87 60.23 1ao3 n SER 161 Cb 0.78 -0.32 0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1ao3 n SER 161 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ao3 n ASN 162 N -1.32 0.64 -4.66 6.43 3.02 0.16 -4.90 115.26 114.63 1ao3 n ASN 162 Ca 0.09 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 1ao3 n ASN 162 Cb 0.19 0.77 -0.03 0.00 -0.61 0.00 0.00 39.78 40.10 1ao3 n ASN 162 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ao3 s VAL 163 N -3.14 4.77 -0.06 2.41 1.01 -1.12 -3.86 120.40 120.41 1ao3 s VAL 163 Ca 0.05 1.87 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1ao3 s VAL 163 Cb 0.15 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1ao3 s VAL 163 CO 0.80 -0.08 -0.07 -0.69 0.00 0.00 0.00 175.10 175.06 1ao3 s VAL 164 N 2.68 3.73 -0.18 2.92 1.01 -0.60 -5.03 120.40 124.94 1ao3 s VAL 164 Ca 0.42 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ao3 s VAL 164 Cb -0.16 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.74 1ao3 s VAL 164 CO 0.10 0.59 -0.04 -0.54 0.00 0.00 0.00 175.10 175.21 1ao3 s LYS 165 N -0.85 1.33 -0.05 2.72 1.02 -1.26 -0.67 119.74 121.98 1ao3 s LYS 165 Ca 0.13 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.56 1ao3 s LYS 165 Cb -0.11 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1ao3 s LYS 165 CO 0.02 -0.48 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.43 1ao3 s LEU 166 N 1.64 3.41 0.15 3.17 1.02 -0.21 -4.99 118.68 122.86 1ao3 s LEU 166 Ca -0.00 0.04 0.15 0.00 0.02 0.00 0.00 54.13 54.33 1ao3 s LEU 166 Cb -0.16 -1.82 -0.06 0.00 0.02 0.00 0.00 46.19 44.16 1ao3 s LEU 166 CO -0.07 0.34 1.12 0.06 0.02 0.00 0.00 176.35 177.82 1ao3 h GLN 167 N 4.95 0.00 -5.59 1.70 3.07 -1.86 -1.16 115.11 116.21 1ao3 h GLN 167 Ca -0.50 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 57.79 1ao3 h GLN 167 Cb 1.18 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 28.54 1ao3 h GLN 167 CO 0.54 0.46 -0.78 1.03 0.09 0.00 0.00 178.83 180.17 1ao3 s ARG 168 N -2.90 0.99 0.47 0.06 0.52 -1.26 -3.59 118.95 113.23 1ao3 s ARG 168 Ca 0.00 -1.13 0.25 0.00 -0.52 0.00 0.00 55.73 54.33 1ao3 s ARG 168 Cb 0.08 -1.01 1.08 0.00 0.52 0.00 0.00 34.95 35.62 1ao3 s ARG 168 CO 0.79 0.22 1.90 0.97 0.02 0.00 0.00 175.30 179.19 1ao3 h ILE 169 N 3.89 0.54 0.00 1.52 6.09 -1.95 -1.99 117.51 125.62 1ao3 h ILE 169 Ca -0.42 -0.95 -0.01 0.00 -1.37 0.00 0.00 64.86 62.11 1ao3 h ILE 169 Cb 1.19 1.65 -0.00 0.00 0.47 0.00 0.00 36.82 40.13 1ao3 h ILE 169 CO 0.45 0.19 -0.07 -0.33 -3.07 0.00 0.00 178.15 175.32 1ao3 h GLU 170 N 0.00 0.00 0.00 2.19 3.07 -1.98 -2.44 114.58 115.42 1ao3 h GLU 170 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ao3 h GLU 170 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1ao3 h GLU 170 CO 0.03 0.07 0.00 -0.44 -1.40 0.00 0.00 179.01 177.26 1ao3 h ASP 171 N 0.00 0.00 0.54 1.42 3.32 -1.78 -3.38 116.42 116.55 1ao3 h ASP 171 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ao3 h ASP 171 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 1ao3 h ASP 171 CO 0.01 0.00 -0.26 0.25 -1.72 0.00 0.00 179.24 177.52 1ao3 h LEU 172 N 0.00 -0.62 -0.80 1.55 5.85 -1.55 -2.97 115.31 116.77 1ao3 h LEU 172 Ca 0.00 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ao3 h LEU 172 Cb 0.66 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1ao3 h LEU 172 CO 0.00 -0.30 0.51 -0.65 -0.34 0.00 0.00 178.44 177.66 1ao3 h PRO 173 N -0.95 0.95 0.00 5.25 0.11 -1.78 -2.00 132.00 133.59 1ao3 h PRO 173 Ca -0.07 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1ao3 h PRO 173 Cb 0.63 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1ao3 h PRO 173 CO 0.12 0.63 -0.01 1.79 -0.21 0.00 0.00 178.00 180.32 1ao3 h THR 174 N 0.98 0.37 -0.19 -1.15 1.35 -1.75 -0.95 112.91 111.57 1ao3 h THR 174 Ca 0.33 -0.05 0.02 0.00 -0.55 0.00 0.00 66.41 66.15 1ao3 h THR 174 Cb 0.04 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.48 1ao3 h THR 174 CO -0.12 0.01 0.13 -0.03 -0.25 0.00 0.00 175.52 175.25 1ao3 h MET 175 N 0.00 0.18 0.00 4.72 -1.53 -1.19 -2.07 114.93 115.04 1ao3 h MET 175 Ca -0.00 -0.01 -0.43 0.00 -3.44 0.00 0.00 59.70 55.81 1ao3 h MET 175 Cb 0.03 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 30.97 1ao3 h MET 175 CO 0.00 0.12 -2.51 0.28 0.14 0.00 0.00 176.91 174.94 1ao3 n VAL 176 N -4.51 1.52 -0.18 -5.77 0.31 -0.40 -4.57 118.33 104.72 1ao3 n VAL 176 Ca 0.00 -0.46 -0.04 0.00 -0.01 0.00 0.00 64.34 63.83 1ao3 n VAL 176 Cb 0.13 -1.70 0.06 0.00 -0.91 0.00 0.00 33.84 31.42 1ao3 n VAL 176 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1ao3 h THR 177 N -0.59 1.00 -2.58 2.52 1.35 -1.47 -3.35 112.91 109.79 1ao3 h THR 177 Ca -0.65 -0.20 -0.67 0.00 -0.55 0.00 0.00 66.41 64.34 1ao3 h THR 177 Cb 1.73 0.36 -0.17 0.00 -1.73 0.00 0.00 68.15 68.34 1ao3 h THR 177 CO -0.29 0.11 0.62 -0.76 -0.25 0.00 0.00 175.52 174.95 1ao3 s LEU 178 N -10.24 4.84 0.00 3.87 1.43 -0.78 -4.88 118.68 112.92 1ao3 s LEU 178 Ca -0.13 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.42 1ao3 s LEU 178 Cb 0.14 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1ao3 s LEU 178 CO 0.74 -1.22 0.00 0.61 0.23 0.00 0.00 176.35 176.71 1ao3 n GLY 179 N 5.39 0.78 0.64 -3.19 0.00 -1.26 -4.80 105.19 102.76 1ao3 n GLY 179 Ca 0.09 -2.02 0.03 0.00 0.00 0.00 0.00 46.02 44.12 1ao3 n GLY 179 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ao3 n ASN 180 N -0.12 0.73 -0.11 1.61 3.02 -1.26 -4.78 115.26 114.36 1ao3 n ASN 180 Ca 0.00 -2.32 -0.14 0.00 -0.03 0.00 0.00 54.58 52.10 1ao3 n ASN 180 Cb 0.00 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1ao3 n ASN 180 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ao3 h SER 181 N 0.28 0.95 -0.79 6.41 0.02 -1.89 -2.04 113.55 116.48 1ao3 h SER 181 Ca -0.05 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 1ao3 h SER 181 Cb 1.41 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1ao3 h SER 181 CO 0.02 1.24 0.39 0.15 -1.14 0.00 0.00 176.83 177.49 1ao3 h PHE 182 N 0.68 1.12 -0.34 3.45 3.57 -1.90 0.41 116.94 123.93 1ao3 h PHE 182 Ca 0.05 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1ao3 h PHE 182 Cb 0.98 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1ao3 h PHE 182 CO 0.07 0.81 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.85 1ao3 h LEU 183 N 1.11 0.63 -1.35 0.59 3.38 -1.94 0.29 115.31 118.01 1ao3 h LEU 183 Ca 0.27 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ao3 h LEU 183 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ao3 h LEU 183 CO -0.04 0.82 -0.25 -0.74 0.09 0.00 0.00 178.44 178.32 1ao3 h HIS 184 N 0.43 0.11 0.00 1.13 2.76 -0.90 0.15 115.15 118.83 1ao3 h HIS 184 Ca 0.09 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.13 1ao3 h HIS 184 Cb 0.52 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1ao3 h HIS 184 CO 0.04 0.36 -0.54 -0.22 -1.30 0.00 0.00 177.93 176.27 1ao3 h LYS 185 N 0.10 0.00 0.08 5.26 3.64 0.22 -3.11 116.57 122.75 1ao3 h LYS 185 Ca 0.02 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 1ao3 h LYS 185 Cb 0.51 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ao3 h LYS 185 CO 0.04 0.54 -1.02 1.25 -2.27 0.00 0.00 179.45 177.99 1ao3 h LEU 186 N 0.00 0.76 -0.46 5.20 5.85 0.54 -3.50 115.31 123.69 1ao3 h LEU 186 Ca -0.01 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1ao3 h LEU 186 Cb 1.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1ao3 h LEU 186 CO 0.07 1.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.66