#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 0.07 -4.92 0.00 7.64 -1.26 -4.84 113.62 110.30 1ao3 n SER 2 Ca 0.00 -0.49 -0.28 0.00 1.01 0.00 0.00 58.87 59.10 1ao3 n SER 2 Cb 0.00 0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 1ao3 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ao3 s GLN 3 N -0.08 3.51 0.08 1.43 0.00 -1.26 -4.83 119.66 118.50 1ao3 s GLN 3 Ca 0.00 -0.36 -0.32 0.00 -0.00 0.00 0.00 55.36 54.68 1ao3 s GLN 3 Cb 0.00 -2.89 -0.11 0.00 0.00 0.00 0.00 33.01 30.00 1ao3 s GLN 3 CO 0.00 0.46 1.81 -0.35 0.00 0.00 0.00 175.29 177.21 1ao3 n PRO 4 N -0.38 2.54 -3.69 9.60 -0.04 -1.25 -4.47 135.00 137.31 1ao3 n PRO 4 Ca -0.05 0.93 -0.15 0.00 -0.04 0.00 0.00 63.50 64.19 1ao3 n PRO 4 Cb 0.53 -2.79 -0.14 0.00 -0.04 0.00 0.00 33.50 31.06 1ao3 n PRO 4 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ao3 s LEU 5 N 2.78 0.13 -0.39 1.53 0.20 -0.68 -1.73 118.68 120.52 1ao3 s LEU 5 Ca 0.84 0.42 -0.15 0.00 0.69 0.00 0.00 54.13 55.93 1ao3 s LEU 5 Cb -0.56 0.47 0.01 0.00 -0.43 0.00 0.00 46.19 45.68 1ao3 s LEU 5 CO 0.41 -0.21 0.31 -1.81 -0.29 0.00 0.00 176.35 174.76 1ao3 s ASP 6 N 1.90 6.11 -0.08 3.68 1.01 -0.36 -0.51 116.67 128.43 1ao3 s ASP 6 Ca -0.02 -0.70 0.03 0.00 0.71 0.00 0.00 52.55 52.57 1ao3 s ASP 6 Cb -0.12 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 1ao3 s ASP 6 CO -0.07 -0.40 -0.18 -0.69 0.21 0.00 0.00 175.17 174.03 1ao3 s VAL 7 N 1.77 2.63 -0.19 -1.27 1.01 0.06 -1.98 120.40 122.44 1ao3 s VAL 7 Ca 0.07 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1ao3 s VAL 7 Cb -0.18 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1ao3 s VAL 7 CO 0.11 0.56 -0.03 -0.63 0.00 0.00 0.00 175.10 175.11 1ao3 s ILE 8 N -0.13 3.71 -0.38 2.22 1.01 -0.24 -1.36 121.20 126.02 1ao3 s ILE 8 Ca -0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 1ao3 s ILE 8 Cb -0.14 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1ao3 s ILE 8 CO 0.04 0.45 0.38 -0.76 0.00 0.00 0.00 174.94 175.05 1ao3 s LEU 9 N 0.90 4.70 -0.55 2.97 1.43 0.00 -0.81 118.68 127.32 1ao3 s LEU 9 Ca -0.00 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1ao3 s LEU 9 Cb -0.15 -2.33 0.14 0.00 0.03 0.00 0.00 46.19 43.88 1ao3 s LEU 9 CO 0.01 -0.45 0.45 -0.22 0.23 0.00 0.00 176.35 176.37 1ao3 s LEU 10 N 2.02 5.97 0.42 1.79 2.96 0.93 -1.54 118.68 131.24 1ao3 s LEU 10 Ca 0.11 -2.03 -0.22 0.00 -0.22 0.00 0.00 54.13 51.78 1ao3 s LEU 10 Cb -0.17 -2.09 -0.11 0.00 0.50 0.00 0.00 46.19 44.32 1ao3 s LEU 10 CO 0.12 -0.72 0.96 -0.76 -1.32 0.00 0.00 176.35 174.64 1ao3 s LEU 11 N 1.21 3.98 -0.53 -0.68 1.43 -0.36 -2.10 118.68 121.63 1ao3 s LEU 11 Ca 0.07 1.73 -0.27 0.00 -1.03 0.00 0.00 54.13 54.63 1ao3 s LEU 11 Cb -0.25 -4.47 0.03 0.00 0.03 0.00 0.00 46.19 41.53 1ao3 s LEU 11 CO -0.01 -0.36 1.09 -0.62 0.23 0.00 0.00 176.35 176.68 1ao3 s ASP 12 N -2.09 6.49 -0.21 2.29 -1.08 -1.26 -1.41 116.67 119.40 1ao3 s ASP 12 Ca 0.61 0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.91 1ao3 s ASP 12 Cb -0.11 -2.52 0.52 0.00 -1.46 0.00 0.00 42.92 39.36 1ao3 s ASP 12 CO 0.15 -1.30 1.44 0.61 0.52 0.00 0.00 175.17 176.59 1ao3 n GLY 13 N 4.99 4.30 3.86 2.66 0.00 0.80 -4.86 105.19 116.94 1ao3 n GLY 13 Ca 0.08 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.10 4.94 -0.13 1.61 1.04 -0.63 -0.45 113.70 117.98 1ao3 s SER 14 Ca 0.43 1.11 0.02 0.00 0.48 0.00 0.00 55.95 58.00 1ao3 s SER 14 Cb 0.36 -1.84 0.24 0.00 0.10 0.00 0.00 66.02 64.89 1ao3 s SER 14 CO 0.06 -1.66 1.21 -1.20 0.98 0.00 0.00 173.24 172.63 1ao3 n SER 15 N -3.21 3.08 0.11 7.02 7.64 0.12 -4.50 113.62 123.88 1ao3 n SER 15 Ca 0.07 -2.49 -0.13 0.00 1.01 0.00 0.00 58.87 57.33 1ao3 n SER 15 Cb 0.58 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.62 -0.23 -2.07 6.43 0.02 -1.93 -3.46 113.55 112.93 1ao3 h SER 16 Ca 0.16 -0.22 -0.57 0.00 -0.84 0.00 0.00 61.79 60.31 1ao3 h SER 16 Cb 1.47 0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.97 1ao3 h SER 16 CO 0.32 0.12 -0.63 -0.36 -1.14 0.00 0.00 176.83 175.14 1ao3 s PHE 17 N -4.75 2.61 0.52 3.45 0.40 -1.26 -5.08 117.98 113.86 1ao3 s PHE 17 Ca -0.14 -0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 55.67 1ao3 s PHE 17 Cb 0.02 -1.33 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 1ao3 s PHE 17 CO 0.59 0.54 0.55 -2.30 0.70 0.00 0.00 175.22 175.30 1ao3 n PRO 18 N -0.92 0.58 0.04 0.24 -0.02 -1.26 -4.80 135.00 128.85 1ao3 n PRO 18 Ca -0.05 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 1ao3 n PRO 18 Cb 0.60 -1.66 0.20 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.39 1.15 0.22 3.55 0.00 -1.26 -1.06 120.51 121.72 1ao3 n ALA 19 Ca 0.11 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1ao3 n ALA 19 Cb 0.45 -1.13 0.52 0.00 0.00 0.00 0.00 19.45 19.29 1ao3 n ALA 19 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ao3 h SER 20 N 0.00 0.00 -0.47 0.00 4.64 -2.02 -2.12 113.55 113.57 1ao3 h SER 20 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1ao3 h SER 20 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1ao3 h SER 20 CO 0.00 0.21 0.16 1.88 -0.87 0.00 0.00 176.83 178.21 1ao3 h TYR 21 N 0.00 0.80 -0.49 4.77 -1.99 -1.41 -2.84 116.97 115.81 1ao3 h TYR 21 Ca -0.00 -0.06 -0.02 0.00 2.00 0.00 0.00 58.73 60.65 1ao3 h TYR 21 Cb 0.41 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 1ao3 h TYR 21 CO 0.00 0.66 0.22 0.35 -0.00 0.00 0.00 178.16 179.39 1ao3 h PHE 22 N 0.77 0.69 0.00 4.88 3.57 -1.56 -1.29 116.94 123.99 1ao3 h PHE 22 Ca 0.18 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ao3 h PHE 22 Cb 0.24 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ao3 h PHE 22 CO 0.01 0.52 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.11 1ao3 h ASP 23 N 0.69 0.00 0.03 0.41 3.32 -1.54 -0.57 116.42 118.77 1ao3 h ASP 23 Ca 0.17 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.01 1ao3 h ASP 23 Cb 0.10 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ao3 h ASP 23 CO -0.02 0.06 -0.86 -0.08 -1.72 0.00 0.00 179.24 176.62 1ao3 h GLU 24 N 0.00 0.53 -0.72 3.56 4.57 -1.29 -2.46 114.58 118.77 1ao3 h GLU 24 Ca -0.00 -0.61 0.05 0.00 -1.18 0.00 0.00 59.36 57.62 1ao3 h GLU 24 Cb 0.38 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1ao3 h GLU 24 CO 0.01 1.23 0.43 0.52 -1.18 0.00 0.00 179.01 180.02 1ao3 h MET 25 N 0.08 0.79 0.00 1.92 2.86 -0.93 0.24 114.93 119.89 1ao3 h MET 25 Ca -0.12 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1ao3 h MET 25 Cb 1.56 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1ao3 h MET 25 CO 0.17 0.53 -0.31 0.87 1.06 0.00 0.00 176.91 179.22 1ao3 h LYS 26 N 0.82 0.00 0.00 1.72 1.57 -1.15 -0.39 116.57 119.13 1ao3 h LYS 26 Ca 0.31 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.92 1ao3 h LYS 26 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1ao3 h LYS 26 CO -0.15 0.31 -0.78 0.77 -0.57 0.00 0.00 179.45 179.03 1ao3 h SER 27 N 0.00 0.00 -0.29 0.86 0.02 -0.55 -1.86 113.55 111.73 1ao3 h SER 27 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1ao3 h SER 27 Cb 0.58 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1ao3 h SER 27 CO 0.04 0.78 0.09 0.15 -1.14 0.00 0.00 176.83 176.75 1ao3 h PHE 28 N 0.00 0.47 -0.51 3.45 3.57 0.62 -2.44 116.94 122.10 1ao3 h PHE 28 Ca -0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1ao3 h PHE 28 Cb 1.42 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1ao3 h PHE 28 CO 0.00 0.49 -0.02 0.00 -2.23 0.00 0.00 178.31 176.55 1ao3 h ALA 29 N 0.92 0.69 -0.71 2.41 0.00 -1.01 -2.04 119.26 119.52 1ao3 h ALA 29 Ca 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1ao3 h ALA 29 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ao3 h ALA 29 CO -0.00 0.52 0.22 0.87 0.00 0.00 0.00 179.25 180.86 1ao3 h LYS 30 N 0.78 1.09 -0.35 0.00 1.57 -1.29 -1.80 116.57 116.56 1ao3 h LYS 30 Ca 0.14 -0.23 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1ao3 h LYS 30 Cb 0.55 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1ao3 h LYS 30 CO 0.03 0.93 -0.43 0.00 -0.57 0.00 0.00 179.45 179.42 1ao3 h ALA 31 N 1.18 0.58 -0.24 3.86 0.00 -1.32 0.09 119.26 123.41 1ao3 h ALA 31 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ao3 h ALA 31 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ao3 h ALA 31 CO -0.01 0.68 0.16 0.35 0.00 0.00 0.00 179.25 180.43 1ao3 h PHE 32 N 0.72 0.30 0.01 0.00 3.57 -1.19 -1.07 116.94 119.28 1ao3 h PHE 32 Ca 0.05 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ao3 h PHE 32 Cb 1.02 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1ao3 h PHE 32 CO 0.06 0.20 -0.00 0.82 -2.23 0.00 0.00 178.31 177.16 1ao3 h ILE 33 N 0.32 1.07 -0.29 1.41 2.04 -1.19 0.14 117.51 121.01 1ao3 h ILE 33 Ca 0.09 -0.23 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1ao3 h ILE 33 Cb -0.03 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ao3 h ILE 33 CO -0.02 0.06 0.20 0.28 0.00 0.00 0.00 178.15 178.67 1ao3 h SER 34 N -0.11 0.10 0.91 1.72 0.02 -0.82 -1.77 113.55 113.61 1ao3 h SER 34 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1ao3 h SER 34 Cb 0.10 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1ao3 h SER 34 CO 0.00 0.07 -1.10 0.50 -1.14 0.00 0.00 176.83 175.16 1ao3 h LYS 35 N 0.11 0.02 -7.05 3.45 1.63 -0.43 -3.48 116.57 110.83 1ao3 h LYS 35 Ca 0.13 -0.04 -0.53 0.00 -0.85 0.00 0.00 60.65 59.36 1ao3 h LYS 35 Cb 0.38 0.01 0.11 0.00 -0.60 0.00 0.00 32.23 32.13 1ao3 h LYS 35 CO -0.02 0.96 0.53 0.00 -3.45 0.00 0.00 179.45 177.48 1ao3 s ALA 36 N -2.69 2.79 -1.15 5.00 0.00 0.40 -4.95 121.76 121.16 1ao3 s ALA 36 Ca -0.00 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1ao3 s ALA 36 Cb 0.10 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.90 1ao3 s ALA 36 CO 0.83 -1.09 1.36 1.21 0.00 0.00 0.00 175.76 178.06 1ao3 s ASN 37 N -1.26 7.00 -0.06 0.00 2.47 -1.26 -5.00 114.94 116.83 1ao3 s ASN 37 Ca 0.71 -2.84 -0.24 0.00 0.42 0.00 0.00 52.86 50.91 1ao3 s ASN 37 Cb -0.34 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.03 1ao3 s ASN 37 CO 0.40 -0.79 0.74 -0.63 -3.72 0.00 0.00 177.10 173.10 1ao3 s ILE 38 N 1.68 5.02 -0.07 -5.21 1.01 -1.26 -1.07 121.20 121.30 1ao3 s ILE 38 Ca 0.40 1.54 -0.32 0.00 0.00 0.00 0.00 60.65 62.27 1ao3 s ILE 38 Cb -0.03 -4.08 0.12 0.00 0.01 0.00 0.00 42.46 38.47 1ao3 s ILE 38 CO -0.02 0.23 1.13 -0.83 0.00 0.00 0.00 174.94 175.45 1ao3 s GLY 39 N 0.84 -0.35 0.48 6.18 0.00 -1.02 -4.82 107.32 108.63 1ao3 s GLY 39 Ca 0.40 1.10 0.15 0.00 0.00 0.00 0.00 44.72 46.37 1ao3 s GLY 39 CO 0.19 0.34 2.07 -2.55 0.00 0.00 0.00 173.10 173.15 1ao3 h PRO 40 N 2.00 0.00 -0.12 2.90 0.11 -1.96 -2.19 132.00 132.74 1ao3 h PRO 40 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1ao3 h PRO 40 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ao3 h PRO 40 CO 0.26 0.09 0.00 0.54 -0.21 0.00 0.00 178.00 178.68 1ao3 n ARG 41 N -4.42 2.06 0.00 1.05 1.74 -1.26 -4.97 116.66 110.85 1ao3 n ARG 41 Ca -0.03 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.41 1ao3 n ARG 41 Cb 0.17 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.97 0.00 -4.76 0.55 4.32 -0.82 -3.93 117.00 111.38 1ao3 n LEU 42 Ca 0.18 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.79 1ao3 n LEU 42 Cb 0.73 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.46 1ao3 n LEU 42 CO 0.07 0.00 0.05 -0.89 -1.22 0.00 0.00 177.39 175.40 1ao3 s THR 43 N 3.59 5.23 -0.12 -5.08 2.01 -0.23 -1.69 115.64 119.35 1ao3 s THR 43 Ca 0.00 0.69 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1ao3 s THR 43 Cb 0.00 -3.68 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1ao3 s THR 43 CO 0.00 0.43 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.04 1ao3 s GLN 44 N 0.05 2.92 -0.06 4.92 -0.21 0.34 -2.43 119.66 125.20 1ao3 s GLN 44 Ca 0.20 -0.83 0.04 0.00 0.02 0.00 0.00 55.36 54.80 1ao3 s GLN 44 Cb -0.14 -2.31 -0.00 0.00 1.00 0.00 0.00 33.01 31.56 1ao3 s GLN 44 CO 0.07 0.06 -0.18 0.54 -2.12 0.00 0.00 175.29 173.66 1ao3 s VAL 45 N 0.64 1.53 0.07 1.09 0.11 -1.26 -0.76 120.40 121.83 1ao3 s VAL 45 Ca -0.12 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.24 1ao3 s VAL 45 Cb -0.16 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.32 1ao3 s VAL 45 CO 0.02 0.44 -0.12 -0.55 -3.33 0.00 0.00 175.10 171.56 1ao3 s SER 46 N 0.16 4.23 -0.15 3.54 0.15 -0.47 -4.83 113.70 116.33 1ao3 s SER 46 Ca -0.08 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1ao3 s SER 46 Cb -0.13 -0.80 0.03 0.00 -1.71 0.00 0.00 66.02 63.41 1ao3 s SER 46 CO 0.03 0.22 -0.10 -0.69 1.20 0.00 0.00 173.24 173.90 1ao3 s VAL 47 N -1.09 1.37 0.42 4.45 1.01 -0.33 -0.82 120.40 125.41 1ao3 s VAL 47 Ca 0.18 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1ao3 s VAL 47 Cb -0.11 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.82 1ao3 s VAL 47 CO 0.10 0.32 0.08 -0.76 0.00 0.00 0.00 175.10 174.84 1ao3 s LEU 48 N 1.55 2.93 -0.04 3.92 1.02 -0.59 -1.13 118.68 126.34 1ao3 s LEU 48 Ca 0.03 -1.28 -0.12 0.00 0.02 0.00 0.00 54.13 52.78 1ao3 s LEU 48 Cb -0.14 -1.09 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1ao3 s LEU 48 CO -0.09 -0.52 0.28 0.00 0.02 0.00 0.00 176.35 176.04 1ao3 s GLN 49 N -3.80 0.54 0.24 1.70 -2.07 -0.87 -1.23 119.66 114.17 1ao3 s GLN 49 Ca 0.35 -0.03 0.11 0.00 -1.82 0.00 0.00 55.36 53.98 1ao3 s GLN 49 Cb 0.07 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1ao3 s GLN 49 CO 0.19 -0.13 -0.16 1.52 -1.32 0.00 0.00 175.29 175.39 1ao3 s TYR 50 N -0.87 2.42 0.00 9.60 1.13 -0.50 -1.76 117.35 127.37 1ao3 s TYR 50 Ca -0.09 -0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1ao3 s TYR 50 Cb -0.05 -1.11 0.00 0.00 -1.10 0.00 0.00 41.96 39.70 1ao3 s TYR 50 CO 0.03 0.61 0.00 0.41 -2.51 0.00 0.00 175.55 174.09 1ao3 n GLY 51 N -0.33 0.16 0.29 5.49 0.00 -1.26 -0.14 105.19 109.40 1ao3 n GLY 51 Ca -0.08 0.45 0.06 0.00 0.00 0.00 0.00 46.02 46.44 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 0.26 -5.17 1.61 0.02 -1.57 -3.39 113.55 105.31 1ao3 h SER 52 Ca 0.00 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 1ao3 h SER 52 Cb 0.00 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 62.34 1ao3 h SER 52 CO 0.00 0.19 -0.38 0.27 -1.14 0.00 0.00 176.83 175.77 1ao3 s ILE 53 N -5.29 0.14 -0.20 3.27 -4.36 -1.26 -5.00 121.20 108.50 1ao3 s ILE 53 Ca -0.07 -1.21 -0.13 0.00 -0.26 0.00 0.00 60.65 58.98 1ao3 s ILE 53 Cb 0.17 -1.37 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 1ao3 s ILE 53 CO 0.70 -0.65 0.27 -0.89 0.24 0.00 0.00 174.94 174.62 1ao3 s THR 54 N -3.87 5.30 0.16 8.37 2.01 -1.26 -4.52 115.64 121.84 1ao3 s THR 54 Ca 0.06 0.45 0.10 0.00 0.31 0.00 0.00 61.69 62.61 1ao3 s THR 54 Cb 0.05 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1ao3 s THR 54 CO -0.10 0.34 -0.20 0.42 -0.69 0.00 0.00 174.62 174.38 1ao3 s THR 55 N 0.88 2.62 -0.39 -0.82 -4.23 -0.72 -4.96 115.64 108.02 1ao3 s THR 55 Ca 0.14 -1.77 -0.14 0.00 -1.18 0.00 0.00 61.69 58.73 1ao3 s THR 55 Cb -0.13 -2.23 0.01 0.00 1.34 0.00 0.00 72.50 71.48 1ao3 s THR 55 CO 0.05 -0.02 0.28 -0.63 -0.54 0.00 0.00 174.62 173.76 1ao3 s ILE 56 N -1.42 5.24 -0.13 2.99 1.01 -1.26 -2.05 121.20 125.58 1ao3 s ILE 56 Ca 0.19 -0.55 0.17 0.00 0.00 0.00 0.00 60.65 60.46 1ao3 s ILE 56 Cb -0.09 -3.86 -0.23 0.00 0.01 0.00 0.00 42.46 38.29 1ao3 s ILE 56 CO 0.10 -0.23 0.43 0.47 0.00 0.00 0.00 174.94 175.71 1ao3 n ASP 57 N 5.14 0.40 -3.74 3.58 8.00 -0.28 -4.72 116.55 124.92 1ao3 n ASP 57 Ca -0.11 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1ao3 n ASP 57 Cb 0.48 0.66 -0.16 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.72 0.78 0.74 2.53 1.01 -0.70 -4.87 120.40 117.17 1ao3 s VAL 58 Ca -0.07 -1.07 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 1ao3 s VAL 58 Cb 0.08 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 35.12 1ao3 s VAL 58 CO 0.83 -0.47 1.04 -2.16 0.00 0.00 0.00 175.10 174.35 1ao3 s PRO 59 N 1.70 1.84 0.90 2.72 0.04 -1.26 -1.18 135.00 139.76 1ao3 s PRO 59 Ca 0.05 -0.52 -0.12 0.00 0.04 0.00 0.00 61.00 60.45 1ao3 s PRO 59 Cb -0.17 -2.18 0.13 0.00 0.04 0.00 0.00 34.50 32.32 1ao3 s PRO 59 CO -0.18 -1.44 1.12 -1.58 0.04 0.00 0.00 177.00 174.96 1ao3 s TRP 60 N -3.29 2.50 -0.68 0.56 0.23 -1.26 -4.35 118.94 112.65 1ao3 s TRP 60 Ca 0.64 0.95 -0.02 0.00 -2.03 0.00 0.00 56.10 55.64 1ao3 s TRP 60 Cb -0.08 -3.30 -0.02 0.00 0.03 0.00 0.00 33.47 30.09 1ao3 s TRP 60 CO 0.45 -2.34 0.58 0.09 0.96 0.00 0.00 176.95 176.70 1ao3 n ASN 61 N -3.77 -3.34 -4.35 2.95 3.02 -1.26 -4.92 115.26 103.59 1ao3 n ASN 61 Ca 0.06 -0.40 -0.24 0.00 -0.03 0.00 0.00 54.58 53.97 1ao3 n ASN 61 Cb 0.58 -3.32 -0.12 0.00 -0.61 0.00 0.00 39.78 36.31 1ao3 n ASN 61 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ao3 s VAL 62 N -3.23 1.96 0.22 2.41 1.01 -1.26 -5.10 120.40 116.40 1ao3 s VAL 62 Ca 0.13 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.95 1ao3 s VAL 62 Cb -0.02 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.41 1ao3 s VAL 62 CO 0.44 -0.19 1.43 -0.69 0.00 0.00 0.00 175.10 176.10 1ao3 s VAL 63 N -1.70 2.81 -0.10 2.92 1.01 -1.26 -4.85 120.40 119.24 1ao3 s VAL 63 Ca 0.15 0.65 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1ao3 s VAL 63 Cb -0.07 -3.42 -0.11 0.00 0.00 0.00 0.00 36.38 32.78 1ao3 s VAL 63 CO 0.07 0.09 1.92 -2.65 0.00 0.00 0.00 175.10 174.52 1ao3 n PRO 64 N 2.76 1.01 -3.69 2.72 -0.02 -1.26 -4.74 135.00 131.78 1ao3 n PRO 64 Ca 0.08 -0.56 -0.38 0.00 -2.02 0.00 0.00 63.50 60.61 1ao3 n PRO 64 Cb 0.41 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.96 1ao3 n PRO 64 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1ao3 s GLU 65 N 2.31 3.04 0.25 -0.52 2.56 -1.26 -4.92 118.70 120.15 1ao3 s GLU 65 Ca 0.31 -0.91 -0.05 0.00 0.00 0.00 0.00 54.97 54.32 1ao3 s GLU 65 Cb 0.14 -3.52 0.37 0.00 2.00 0.00 0.00 34.13 33.11 1ao3 s GLU 65 CO -0.00 -0.52 1.84 0.87 -0.56 0.00 0.00 175.26 176.88 1ao3 h LYS 66 N 8.31 0.91 -0.97 4.30 1.57 -1.97 -0.33 116.57 128.40 1ao3 h LYS 66 Ca -0.29 -0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1ao3 h LYS 66 Cb 1.12 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.15 1ao3 h LYS 66 CO 0.62 0.60 0.61 0.00 -0.57 0.00 0.00 179.45 180.72 1ao3 h ALA 67 N 1.43 1.60 -0.14 3.86 0.00 -1.97 0.24 119.26 124.28 1ao3 h ALA 67 Ca 0.39 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1ao3 h ALA 67 Cb 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ao3 h ALA 67 CO -0.20 0.16 -0.46 1.25 0.00 0.00 0.00 179.25 179.99 1ao3 h HIS 68 N 0.92 0.74 -0.11 0.00 -0.00 -1.47 -2.92 115.15 112.31 1ao3 h HIS 68 Ca 0.48 -0.30 -0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1ao3 h HIS 68 Cb 0.53 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 1ao3 h HIS 68 CO -0.00 1.07 -0.16 -0.07 -0.00 0.00 0.00 177.93 178.77 1ao3 h LEU 69 N 0.20 0.16 -0.76 0.26 3.38 -0.27 -2.62 115.31 115.66 1ao3 h LEU 69 Ca -0.02 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1ao3 h LEU 69 Cb 1.09 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1ao3 h LEU 69 CO 0.10 0.34 -0.47 -0.07 0.09 0.00 0.00 178.44 178.43 1ao3 h LEU 70 N 0.16 0.00 -0.31 1.67 3.38 -0.95 -2.64 115.31 116.63 1ao3 h LEU 70 Ca 0.03 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 1ao3 h LEU 70 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ao3 h LEU 70 CO 0.02 0.47 -0.75 0.28 0.09 0.00 0.00 178.44 178.55 1ao3 h SER 71 N 0.00 0.67 -0.22 -0.43 0.02 -1.27 -1.71 113.55 110.59 1ao3 h SER 71 Ca -0.00 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1ao3 h SER 71 Cb 1.03 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1ao3 h SER 71 CO 0.06 1.20 0.03 -0.07 -1.14 0.00 0.00 176.83 176.91 1ao3 h LEU 72 N 0.38 0.36 -0.26 5.07 4.07 -1.41 -2.47 115.31 121.05 1ao3 h LEU 72 Ca -0.04 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.62 1ao3 h LEU 72 Cb 1.34 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 1ao3 h LEU 72 CO 0.14 0.54 0.07 0.58 -1.08 0.00 0.00 178.44 178.69 1ao3 h VAL 73 N 0.17 1.21 -1.01 1.22 2.07 -1.52 -2.99 116.25 115.41 1ao3 h VAL 73 Ca 0.07 -0.69 0.25 0.00 0.82 0.00 0.00 66.70 67.15 1ao3 h VAL 73 Cb 0.34 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 1ao3 h VAL 73 CO 0.01 0.22 0.65 -0.78 0.02 0.00 0.00 177.57 177.69 1ao3 h ASP 74 N 0.26 0.45 0.81 0.57 3.58 -1.18 0.25 116.42 121.16 1ao3 h ASP 74 Ca 0.08 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1ao3 h ASP 74 Cb 0.28 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ao3 h ASP 74 CO 0.00 0.12 -0.14 0.55 -2.88 0.00 0.00 179.24 176.89 1ao3 n VAL 75 N -4.59 0.00 -1.75 2.25 3.14 -0.94 -4.90 118.33 111.53 1ao3 n VAL 75 Ca 0.24 -0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.24 1ao3 n VAL 75 Cb 0.82 -0.28 0.06 0.00 -1.06 0.00 0.00 33.84 33.38 1ao3 n VAL 75 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 1ao3 s MET 76 N -2.95 2.82 0.00 1.45 -1.94 0.88 -5.03 119.30 114.54 1ao3 s MET 76 Ca 0.15 2.16 0.00 0.00 -1.71 0.00 0.00 55.69 56.29 1ao3 s MET 76 Cb 0.19 -2.04 -0.00 0.00 2.01 0.00 0.00 34.83 34.99 1ao3 s MET 76 CO 0.57 -1.42 -0.01 -0.65 -0.01 0.00 0.00 175.02 173.50 1ao3 s GLN 77 N -3.16 0.08 0.06 2.03 -0.21 -1.26 -5.09 119.66 112.11 1ao3 s GLN 77 Ca 0.78 -0.10 -0.35 0.00 0.02 0.00 0.00 55.36 55.71 1ao3 s GLN 77 Cb -0.39 -0.02 -0.14 0.00 1.00 0.00 0.00 33.01 33.46 1ao3 s GLN 77 CO 0.44 0.00 1.64 -2.13 -2.12 0.00 0.00 175.29 173.12 1ao3 n ARG 78 N 2.86 1.99 -0.00 2.91 0.63 -1.26 -4.91 116.66 118.87 1ao3 n ARG 78 Ca -0.14 0.72 -0.13 0.00 -0.92 0.00 0.00 57.85 57.39 1ao3 n ARG 78 Cb 0.59 -2.49 -0.09 0.00 0.45 0.00 0.00 32.46 30.92 1ao3 n ARG 78 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ao3 h GLU 79 N 6.74 0.04 0.00 -0.14 4.57 -1.91 -3.50 114.58 120.38 1ao3 h GLU 79 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1ao3 h GLU 79 Cb 1.27 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1ao3 h GLU 79 CO 0.90 0.35 0.00 0.41 -1.18 0.00 0.00 179.01 179.49 1ao3 n GLY 80 N -0.22 0.06 0.00 1.92 0.00 0.40 -4.93 105.19 102.42 1ao3 n GLY 80 Ca -0.08 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 0.19 -0.83 3.81 -0.02 0.00 -1.26 -2.18 105.19 104.91 1ao3 n GLY 81 Ca 0.00 -2.26 -0.31 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.89 2.79 -1.12 1.61 0.04 -1.26 0.14 135.00 136.31 1ao3 s PRO 82 Ca 0.00 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 1ao3 s PRO 82 Cb 0.00 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.63 1ao3 s PRO 82 CO 0.00 -1.21 1.53 -1.12 0.04 0.00 0.00 177.00 176.25 1ao3 s SER 83 N -3.74 6.65 -1.11 6.66 0.01 -1.26 -4.03 113.70 116.88 1ao3 s SER 83 Ca 0.59 -1.90 -0.07 0.00 1.31 0.00 0.00 55.95 55.88 1ao3 s SER 83 Cb -0.14 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 63.81 1ao3 s SER 83 CO 0.55 -1.33 1.34 0.00 0.41 0.00 0.00 173.24 174.21 1ao3 n GLN 84 N 8.45 4.02 -0.21 12.44 6.02 -1.26 -0.47 117.38 146.37 1ao3 n GLN 84 Ca 0.38 -4.45 -0.09 0.00 -0.01 0.00 0.00 57.00 52.83 1ao3 n GLN 84 Cb 0.49 -2.56 0.02 0.00 1.02 0.00 0.00 30.24 29.21 1ao3 n GLN 84 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1ao3 h ILE 85 N 3.57 1.26 -0.13 5.09 2.04 -1.89 -2.35 117.51 125.09 1ao3 h ILE 85 Ca 0.20 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.10 1ao3 h ILE 85 Cb 0.73 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1ao3 h ILE 85 CO 1.21 0.37 -0.09 1.23 0.00 0.00 0.00 178.15 180.87 1ao3 h GLY 86 N 0.88 0.03 1.28 5.37 0.00 -1.79 -1.05 103.07 107.79 1ao3 h GLY 86 Ca 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 1ao3 h GLY 86 CO 0.01 -0.10 0.24 -1.80 0.00 0.00 0.00 176.54 174.90 1ao3 h ASP 87 N -0.09 0.85 -0.21 0.19 3.58 -1.82 -1.76 116.42 117.17 1ao3 h ASP 87 Ca 0.08 -0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.26 1ao3 h ASP 87 Cb 0.21 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1ao3 h ASP 87 CO -0.19 0.76 -0.44 0.00 -2.88 0.00 0.00 179.24 176.49 1ao3 h ALA 88 N 1.36 0.65 -0.34 -0.78 0.00 -0.91 -1.51 119.26 117.73 1ao3 h ALA 88 Ca 0.21 -0.47 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 1ao3 h ALA 88 Cb 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ao3 h ALA 88 CO -0.02 0.67 -0.43 1.25 0.00 0.00 0.00 179.25 180.72 1ao3 h LEU 89 N 0.62 0.96 -0.69 0.00 5.85 -1.04 -0.92 115.31 120.09 1ao3 h LEU 89 Ca 0.04 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.29 1ao3 h LEU 89 Cb 1.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1ao3 h LEU 89 CO 0.10 1.26 0.44 1.23 -0.34 0.00 0.00 178.44 181.13 1ao3 h GLY 90 N 0.68 0.99 0.95 3.75 0.00 -1.20 0.09 103.07 108.33 1ao3 h GLY 90 Ca 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1ao3 h GLY 90 CO 0.10 0.29 0.10 -2.75 0.00 0.00 0.00 176.54 174.28 1ao3 h PHE 91 N 0.86 0.75 -0.71 5.60 3.04 -1.14 -2.86 116.94 122.48 1ao3 h PHE 91 Ca 0.27 -0.09 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 1ao3 h PHE 91 Cb 0.00 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 1ao3 h PHE 91 CO -0.04 0.70 0.36 0.00 -2.02 0.00 0.00 178.31 177.31 1ao3 h ALA 92 N 0.96 1.30 -0.45 2.41 0.00 -0.32 -1.57 119.26 121.58 1ao3 h ALA 92 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ao3 h ALA 92 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ao3 h ALA 92 CO 0.00 0.56 -0.19 0.28 0.00 0.00 0.00 179.25 179.90 1ao3 h VAL 93 N 1.00 1.27 -0.15 0.00 2.07 -0.90 -1.86 116.25 117.68 1ao3 h VAL 93 Ca 0.25 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1ao3 h VAL 93 Cb 0.07 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1ao3 h VAL 93 CO -0.04 0.45 -0.24 0.03 0.02 0.00 0.00 177.57 177.79 1ao3 h ARG 94 N 0.78 0.43 -0.16 1.57 3.08 -1.27 -2.37 114.38 116.44 1ao3 h ARG 94 Ca 0.11 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ao3 h ARG 94 Cb 0.72 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1ao3 h ARG 94 CO 0.06 0.85 0.10 -0.92 -1.07 0.00 0.00 179.97 178.99 1ao3 h TYR 95 N 0.05 0.20 0.00 3.04 3.20 -1.24 0.72 116.97 122.94 1ao3 h TYR 95 Ca 0.01 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1ao3 h TYR 95 Cb 0.82 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 1ao3 h TYR 95 CO 0.10 0.14 -0.53 1.25 -1.64 0.00 0.00 178.16 177.47 1ao3 h LEU 96 N 0.22 0.00 -2.97 2.82 5.85 -1.26 -3.26 115.31 116.70 1ao3 h LEU 96 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ao3 h LEU 96 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1ao3 h LEU 96 CO -0.01 0.53 0.00 0.35 -0.34 0.00 0.00 178.44 178.97 1ao3 n THR 97 N -3.26 1.29 -2.94 1.05 -2.24 -0.50 -4.82 114.28 102.86 1ao3 n THR 97 Ca 0.02 -1.20 -0.40 0.00 -2.27 0.00 0.00 64.05 60.19 1ao3 n THR 97 Cb 0.73 0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.21 7.27 -0.03 3.42 0.15 0.13 -4.97 113.70 118.46 1ao3 s SER 98 Ca 0.27 1.51 -0.25 0.00 0.70 0.00 0.00 55.95 58.19 1ao3 s SER 98 Cb 0.17 -2.49 -0.19 0.00 -1.71 0.00 0.00 66.02 61.80 1ao3 s SER 98 CO 0.14 0.01 1.15 1.05 1.20 0.00 0.00 173.24 176.79 1ao3 h GLU 99 N 5.60 -0.11 0.00 5.44 4.11 -1.89 -3.31 114.58 124.42 1ao3 h GLU 99 Ca -0.44 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1ao3 h GLU 99 Cb 1.21 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1ao3 h GLU 99 CO 0.71 0.35 0.00 0.00 0.07 0.00 0.00 179.01 180.14 1ao3 n MET 100 N -4.91 0.12 -0.00 1.06 0.00 -1.26 -3.66 117.12 108.48 1ao3 n MET 100 Ca -0.08 0.20 0.08 0.00 0.00 0.00 0.00 57.70 57.90 1ao3 n MET 100 Cb 0.26 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.88 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 -1.36 0.00 0.00 3.17 8.25 -1.25 -4.99 115.22 119.04 1ao3 n HIS 101 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ao3 n HIS 101 Cb 0.12 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 1.43 1.45 3.72 -1.41 0.00 -1.24 -4.48 105.19 104.66 1ao3 n GLY 102 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.27 3.84 0.07 4.61 0.00 -1.24 -4.75 121.76 123.02 1ao3 s ALA 103 Ca 0.00 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 1ao3 s ALA 103 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.41 1ao3 s ALA 103 CO 0.00 -0.87 0.99 1.03 0.00 0.00 0.00 175.76 176.91 1ao3 s ARG 104 N 1.28 4.62 0.18 0.00 0.52 -1.26 -4.78 118.95 119.51 1ao3 s ARG 104 Ca 0.73 1.47 -0.30 0.00 -0.52 0.00 0.00 55.73 57.11 1ao3 s ARG 104 Cb -0.46 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 31.53 1ao3 s ARG 104 CO 0.32 0.07 1.01 -2.14 0.02 0.00 0.00 175.30 174.58 1ao3 s PRO 105 N 0.45 4.70 0.00 3.54 0.02 -1.26 -3.23 135.00 139.22 1ao3 s PRO 105 Ca 0.50 1.58 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1ao3 s PRO 105 Cb -0.23 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1ao3 s PRO 105 CO 0.29 0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.62 1ao3 n GLY 106 N 1.91 1.09 3.85 0.52 0.00 -1.26 -5.05 105.19 106.25 1ao3 n GLY 106 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.31 3.27 0.61 4.61 0.00 -1.20 -4.97 121.76 121.77 1ao3 s ALA 107 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.82 1ao3 s ALA 107 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1ao3 s ALA 107 CO 0.00 0.16 1.15 -1.12 0.00 0.00 0.00 175.76 175.95 1ao3 s SER 108 N -2.58 5.21 -0.05 0.00 0.01 -0.71 -4.82 113.70 110.76 1ao3 s SER 108 Ca 0.55 2.20 0.06 0.00 1.31 0.00 0.00 55.95 60.07 1ao3 s SER 108 Cb -0.10 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1ao3 s SER 108 CO 0.22 -1.57 -0.24 -0.54 0.41 0.00 0.00 173.24 171.51 1ao3 s LYS 109 N -3.62 2.50 -0.18 12.44 -0.14 -1.26 -1.23 119.74 128.25 1ao3 s LYS 109 Ca 0.72 -0.90 -0.18 0.00 -1.36 0.00 0.00 55.97 54.25 1ao3 s LYS 109 Cb -0.25 -2.16 0.05 0.00 -1.68 0.00 0.00 37.83 33.79 1ao3 s LYS 109 CO 0.35 0.41 0.52 0.00 -0.76 0.00 0.00 175.35 175.88 1ao3 s ALA 110 N -0.24 -1.29 -0.10 5.17 0.00 -0.84 -1.24 121.76 123.22 1ao3 s ALA 110 Ca -0.01 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.40 1ao3 s ALA 110 Cb -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.21 1ao3 s ALA 110 CO 0.03 -0.25 -0.18 0.54 0.00 0.00 0.00 175.76 175.90 1ao3 s VAL 111 N 0.17 1.63 -0.36 0.00 0.11 0.14 -1.08 120.40 121.00 1ao3 s VAL 111 Ca -0.01 -0.74 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 1ao3 s VAL 111 Cb -0.04 -1.45 0.00 0.00 -1.53 0.00 0.00 36.38 33.36 1ao3 s VAL 111 CO 0.01 0.47 0.24 -0.69 -3.33 0.00 0.00 175.10 171.80 1ao3 s VAL 112 N 0.74 5.07 -0.16 2.04 1.01 0.01 -0.76 120.40 128.34 1ao3 s VAL 112 Ca -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ao3 s VAL 112 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1ao3 s VAL 112 CO 0.02 -0.13 -0.07 -0.51 0.00 0.00 0.00 175.10 174.41 1ao3 s ILE 113 N 1.67 3.43 -0.15 2.22 2.07 -0.63 -0.05 121.20 129.76 1ao3 s ILE 113 Ca 0.05 -0.51 -0.16 0.00 -1.41 0.00 0.00 60.65 58.62 1ao3 s ILE 113 Cb -0.18 -2.50 -0.04 0.00 0.13 0.00 0.00 42.46 39.87 1ao3 s ILE 113 CO 0.09 0.49 0.38 -0.76 -1.91 0.00 0.00 174.94 173.23 1ao3 s LEU 114 N 0.64 4.24 -0.09 8.50 1.43 -0.89 -0.62 118.68 131.89 1ao3 s LEU 114 Ca -0.04 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1ao3 s LEU 114 Cb -0.15 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.57 1ao3 s LEU 114 CO 0.03 0.04 -0.11 -0.69 0.23 0.00 0.00 176.35 175.84 1ao3 s VAL 115 N 0.64 1.17 -0.11 -1.59 1.01 -0.16 -4.10 120.40 117.26 1ao3 s VAL 115 Ca 0.20 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1ao3 s VAL 115 Cb -0.14 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.06 1ao3 s VAL 115 CO 0.07 0.38 0.16 0.35 0.00 0.00 0.00 175.10 176.06 1ao3 n THR 116 N 4.31 0.00 -4.35 3.92 -2.24 -1.26 -1.19 114.28 113.46 1ao3 n THR 116 Ca -0.19 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1ao3 n THR 116 Cb 0.51 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.13 1.91 0.06 3.42 2.15 -1.26 -3.73 116.67 117.09 1ao3 s ASP 117 Ca -0.00 -1.71 -0.22 0.00 0.43 0.00 0.00 52.55 51.05 1ao3 s ASP 117 Cb 0.04 0.53 -0.06 0.00 -0.30 0.00 0.00 42.92 43.13 1ao3 s ASP 117 CO 0.22 -1.01 0.65 0.68 -0.17 0.00 0.00 175.17 175.53 1ao3 s VAL 118 N -3.42 4.73 0.30 1.11 -7.23 -1.22 -4.37 120.40 110.29 1ao3 s VAL 118 Ca 0.36 1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 61.60 1ao3 s VAL 118 Cb 0.03 -3.99 -0.12 0.00 0.56 0.00 0.00 36.38 32.86 1ao3 s VAL 118 CO 0.23 0.47 1.59 -0.24 -0.31 0.00 0.00 175.10 176.83 1ao3 n SER 119 N 2.22 3.83 0.22 4.85 2.88 -1.26 -4.82 113.62 121.54 1ao3 n SER 119 Ca -0.07 1.15 0.14 0.00 -1.33 0.00 0.00 58.87 58.76 1ao3 n SER 119 Cb 0.50 -1.59 0.34 0.00 -0.75 0.00 0.00 64.21 62.71 1ao3 n SER 119 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1ao3 h VAL 120 N 3.31 0.00 -2.18 2.46 3.04 -1.17 -3.45 116.25 118.27 1ao3 h VAL 120 Ca -0.47 -0.80 -0.59 0.00 -1.01 0.00 0.00 66.70 63.83 1ao3 h VAL 120 Cb 1.23 1.79 -0.14 0.00 -2.01 0.00 0.00 31.29 32.16 1ao3 h VAL 120 CO 0.78 0.00 -0.70 1.51 -1.01 0.00 0.00 177.57 178.15 1ao3 s ASP 121 N -5.87 3.47 0.37 3.17 1.47 -1.26 -5.06 116.67 112.98 1ao3 s ASP 121 Ca 0.06 -1.14 -0.27 0.00 1.18 0.00 0.00 52.55 52.37 1ao3 s ASP 121 Cb 0.07 -0.30 -0.09 0.00 -0.34 0.00 0.00 42.92 42.26 1ao3 s ASP 121 CO 0.62 -0.16 1.30 -0.55 0.68 0.00 0.00 175.17 177.06 1ao3 s SER 122 N -3.54 6.52 0.00 2.11 0.15 -1.26 -4.50 113.70 113.18 1ao3 s SER 122 Ca 0.31 2.65 0.16 0.00 0.70 0.00 0.00 55.95 59.77 1ao3 s SER 122 Cb 0.01 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.80 1ao3 s SER 122 CO 0.15 -0.70 1.00 1.33 1.20 0.00 0.00 173.24 176.22 1ao3 n VAL 123 N 0.42 0.00 -0.01 4.45 0.24 -1.26 -4.24 118.33 117.93 1ao3 n VAL 123 Ca 0.02 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 1ao3 n VAL 123 Cb 0.43 1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 34.08 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 3.09 0.12 0.28 -1.34 5.19 -1.97 -1.93 116.42 119.87 1ao3 h ASP 124 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1ao3 h ASP 124 Cb 0.66 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1ao3 h ASP 124 CO 0.00 0.09 -0.19 0.00 -3.12 0.00 0.00 179.24 176.02 1ao3 h ALA 125 N 1.06 -0.45 -0.83 3.45 0.00 -1.97 -0.50 119.26 120.02 1ao3 h ALA 125 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ao3 h ALA 125 Cb -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1ao3 h ALA 125 CO -0.02 -0.77 0.55 0.00 0.00 0.00 0.00 179.25 179.01 1ao3 h ALA 126 N 0.23 1.52 -0.69 0.00 0.00 -1.82 0.19 119.26 118.70 1ao3 h ALA 126 Ca -0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ao3 h ALA 126 Cb 0.39 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ao3 h ALA 126 CO 0.01 0.38 0.17 0.00 0.00 0.00 0.00 179.25 179.81 1ao3 h ALA 127 N 1.53 1.00 -0.11 0.00 0.00 -0.91 -0.28 119.26 120.47 1ao3 h ALA 127 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ao3 h ALA 127 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ao3 h ALA 127 CO -0.11 0.65 0.03 -0.44 0.00 0.00 0.00 179.25 179.38 1ao3 h ASP 128 N 1.04 0.17 -0.22 0.00 3.32 0.38 -2.56 116.42 118.55 1ao3 h ASP 128 Ca 0.22 -0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1ao3 h ASP 128 Cb 0.36 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1ao3 h ASP 128 CO 0.00 0.34 0.16 0.00 -1.72 0.00 0.00 179.24 178.02 1ao3 h ALA 129 N 0.83 2.17 -0.12 3.45 0.00 -0.34 -1.30 119.26 123.96 1ao3 h ALA 129 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ao3 h ALA 129 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ao3 h ALA 129 CO -0.00 -0.23 -0.24 0.00 0.00 0.00 0.00 179.25 178.78 1ao3 h ALA 130 N 1.89 0.19 -0.25 0.00 0.00 -0.66 -3.11 119.26 117.32 1ao3 h ALA 130 Ca 0.10 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1ao3 h ALA 130 Cb 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ao3 h ALA 130 CO -0.00 0.16 -0.27 0.07 0.00 0.00 0.00 179.25 179.21 1ao3 h ARG 131 N -0.05 0.62 0.00 0.00 0.11 -1.05 0.38 114.38 114.39 1ao3 h ARG 131 Ca 0.00 -0.33 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 1ao3 h ARG 131 Cb 0.82 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.92 1ao3 h ARG 131 CO 0.05 0.94 -0.01 0.66 0.10 0.00 0.00 179.97 181.71 1ao3 h SER 132 N 0.33 0.00 -0.64 0.08 4.64 -1.39 -0.10 113.55 116.47 1ao3 h SER 132 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ao3 h SER 132 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1ao3 h SER 132 CO 0.07 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.63 1ao3 n ASN 133 N -3.19 3.80 -3.27 4.97 3.02 -1.10 -4.95 115.26 114.53 1ao3 n ASN 133 Ca -0.02 -2.00 -0.23 0.00 -0.03 0.00 0.00 54.58 52.30 1ao3 n ASN 133 Cb 0.14 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 38.94 1ao3 n ASN 133 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ao3 n ARG 134 N 1.61 -6.12 -3.63 3.52 3.00 -0.05 -4.97 116.66 110.01 1ao3 n ARG 134 Ca 0.23 0.87 -0.37 0.00 -0.00 0.00 0.00 57.85 58.58 1ao3 n ARG 134 Cb 0.62 -5.81 -0.11 0.00 0.00 0.00 0.00 32.46 27.16 1ao3 n ARG 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ao3 s VAL 135 N -3.24 5.23 -0.11 5.15 1.01 0.09 -4.43 120.40 124.11 1ao3 s VAL 135 Ca 0.43 0.14 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1ao3 s VAL 135 Cb -0.19 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ao3 s VAL 135 CO 0.53 0.29 0.77 -0.89 0.00 0.00 0.00 175.10 175.80 1ao3 s THR 136 N 1.51 4.97 -0.07 3.92 2.01 -0.37 -4.34 115.64 123.27 1ao3 s THR 136 Ca 0.07 1.56 0.03 0.00 0.31 0.00 0.00 61.69 63.66 1ao3 s THR 136 Cb -0.15 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 1ao3 s THR 136 CO 0.08 0.15 -0.16 0.68 -0.69 0.00 0.00 174.62 174.68 1ao3 s VAL 137 N 1.40 2.85 -0.37 3.82 -7.23 -1.26 -0.69 120.40 118.93 1ao3 s VAL 137 Ca 0.39 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.78 1ao3 s VAL 137 Cb -0.17 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.75 1ao3 s VAL 137 CO 0.16 0.57 0.11 -0.36 -0.31 0.00 0.00 175.10 175.28 1ao3 s PHE 138 N -0.40 3.66 0.14 2.82 0.08 0.06 -4.66 117.98 119.68 1ao3 s PHE 138 Ca 0.04 -2.71 -0.26 0.00 0.12 0.00 0.00 56.93 54.13 1ao3 s PHE 138 Cb -0.12 -3.00 -0.07 0.00 -0.57 0.00 0.00 43.02 39.25 1ao3 s PHE 138 CO 0.02 -0.95 0.79 -2.14 -0.10 0.00 0.00 175.22 172.84 1ao3 s PRO 139 N 1.02 4.57 -0.26 0.24 0.02 -1.24 -1.61 135.00 137.75 1ao3 s PRO 139 Ca 0.09 1.17 0.01 0.00 0.02 0.00 0.00 61.00 62.29 1ao3 s PRO 139 Cb -0.21 -3.29 0.07 0.00 0.02 0.00 0.00 34.50 31.09 1ao3 s PRO 139 CO -0.06 0.49 -0.03 0.42 -0.33 0.00 0.00 177.00 177.49 1ao3 s ILE 140 N -0.85 1.63 0.05 2.83 1.01 0.20 -1.47 121.20 124.60 1ao3 s ILE 140 Ca 0.37 -1.42 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 1ao3 s ILE 140 Cb -0.23 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 1ao3 s ILE 140 CO 0.26 -0.21 0.62 -0.83 0.00 0.00 0.00 174.94 174.78 1ao3 s GLY 141 N 1.32 2.68 -0.09 6.18 0.00 0.35 -0.99 107.32 116.78 1ao3 s GLY 141 Ca -0.03 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1ao3 s GLY 141 CO -0.08 0.70 -0.16 -0.42 0.00 0.00 0.00 173.10 173.15 1ao3 s ILE 142 N -0.59 1.44 0.00 0.90 1.01 -0.34 -0.62 121.20 123.01 1ao3 s ILE 142 Ca 0.32 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1ao3 s ILE 142 Cb -0.19 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1ao3 s ILE 142 CO 0.19 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1ao3 n GLY 143 N 3.88 -0.04 0.28 6.18 0.00 0.15 -4.56 105.19 111.08 1ao3 n GLY 143 Ca -0.21 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.38 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 0.74 0.45 -0.18 1.61 5.68 -1.26 -4.78 116.55 118.81 1ao3 n ASP 144 Ca 0.00 -1.89 0.09 0.00 -0.50 0.00 0.00 54.79 52.49 1ao3 n ASP 144 Cb 0.00 -0.17 -0.06 0.00 -1.14 0.00 0.00 41.12 39.75 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 -0.23 1.17 -1.88 0.11 1.74 -1.26 -4.98 116.66 111.33 1ao3 n ARG 145 Ca 0.02 -0.37 -0.31 0.00 -0.77 0.00 0.00 57.85 56.41 1ao3 n ARG 145 Cb 0.61 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.50 3.46 -0.38 -1.55 -0.85 -1.24 -3.45 117.35 110.83 1ao3 s TYR 146 Ca 0.11 1.35 -0.20 0.00 -0.52 0.00 0.00 57.07 57.81 1ao3 s TYR 146 Cb 0.15 -2.78 0.01 0.00 0.38 0.00 0.00 41.96 39.71 1ao3 s TYR 146 CO 0.64 -0.79 0.59 0.34 -1.52 0.00 0.00 175.55 174.81 1ao3 s ASP 147 N -3.88 6.35 0.40 -0.18 -1.08 -1.26 -4.85 116.67 112.17 1ao3 s ASP 147 Ca 0.57 -0.09 0.10 0.00 -0.52 0.00 0.00 52.55 52.60 1ao3 s ASP 147 Cb -0.12 -2.30 0.90 0.00 -1.46 0.00 0.00 42.92 39.94 1ao3 s ASP 147 CO 0.50 -0.61 1.98 0.00 0.52 0.00 0.00 175.17 177.56 1ao3 h ALA 148 N 8.59 1.85 -0.12 3.66 0.00 -1.98 -0.43 119.26 130.83 1ao3 h ALA 148 Ca -0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1ao3 h ALA 148 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ao3 h ALA 148 CO 0.83 0.03 -0.24 0.00 0.00 0.00 0.00 179.25 179.87 1ao3 h ALA 149 N 1.67 1.38 -0.34 0.00 0.00 -2.00 -2.02 119.26 117.95 1ao3 h ALA 149 Ca 0.28 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ao3 h ALA 149 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ao3 h ALA 149 CO -0.09 0.43 -0.29 1.96 0.00 0.00 0.00 179.25 181.27 1ao3 h GLN 150 N 0.19 0.79 -0.83 0.00 4.20 -1.49 -2.32 115.11 115.65 1ao3 h GLN 150 Ca 0.03 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1ao3 h GLN 150 Cb 0.53 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 1ao3 h GLN 150 CO 0.04 1.03 0.49 -0.07 -0.67 0.00 0.00 178.83 179.65 1ao3 h LEU 151 N 0.57 1.00 -0.74 1.46 3.38 -1.20 -2.14 115.31 117.64 1ao3 h LEU 151 Ca 0.06 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ao3 h LEU 151 Cb 0.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1ao3 h LEU 151 CO 0.07 0.78 0.24 -0.09 0.09 0.00 0.00 178.44 179.53 1ao3 h ARG 152 N 1.14 1.15 -0.07 1.13 2.43 -1.21 -2.84 114.38 116.10 1ao3 h ARG 152 Ca 0.30 -0.24 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 1ao3 h ARG 152 Cb -0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1ao3 h ARG 152 CO -0.05 0.97 -0.70 -0.84 -1.51 0.00 0.00 179.97 177.83 1ao3 h ILE 153 N 1.09 1.39 -0.22 1.20 -0.00 -1.20 -3.09 117.51 116.69 1ao3 h ILE 153 Ca 0.24 -2.13 -0.02 0.00 -0.00 0.00 0.00 64.86 62.94 1ao3 h ILE 153 Cb 0.30 2.10 -0.01 0.00 -0.00 0.00 0.00 36.82 39.21 1ao3 h ILE 153 CO -0.01 0.64 0.03 -0.07 -0.00 0.00 0.00 178.15 178.74 1ao3 h LEU 154 N 0.24 0.29 0.00 0.16 3.38 -1.28 -1.08 115.31 117.02 1ao3 h LEU 154 Ca -0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ao3 h LEU 154 Cb 1.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ao3 h LEU 154 CO 0.12 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1ao3 n ALA 155 N -2.49 2.24 -1.00 1.53 0.00 -1.08 -4.71 120.51 115.00 1ao3 n ALA 155 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ao3 n ALA 155 Cb 0.17 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1ao3 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ao3 n GLY 156 N 0.49 3.16 0.37 0.00 0.00 -0.41 -3.17 105.19 105.62 1ao3 n GLY 156 Ca 0.14 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1ao3 n GLY 156 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ao3 h PRO 157 N 0.00 0.74 -0.04 1.61 0.11 -1.91 -1.98 132.00 130.54 1ao3 h PRO 157 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 1ao3 h PRO 157 Cb 0.00 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1ao3 h PRO 157 CO 0.00 0.49 -0.23 0.00 -0.21 0.00 0.00 178.00 178.05 1ao3 h ALA 158 N 1.61 1.56 -0.99 -0.75 0.00 -1.92 -3.48 119.26 115.29 1ao3 h ALA 158 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ao3 h ALA 158 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ao3 h ALA 158 CO -0.31 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1ao3 n GLY 159 N -0.82 3.24 0.00 0.00 0.00 -0.75 -1.88 105.19 104.98 1ao3 n GLY 159 Ca -0.02 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.80 1ao3 n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ao3 n ASP 160 N 2.52 0.00 0.25 1.61 8.00 -1.26 -2.21 116.55 125.46 1ao3 n ASP 160 Ca 0.00 0.45 0.12 0.00 0.71 0.00 0.00 54.79 56.07 1ao3 n ASP 160 Cb 0.00 -0.47 0.68 0.00 -0.02 0.00 0.00 41.12 41.31 1ao3 n ASP 160 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1ao3 h SER 161 N 0.00 0.00 -0.02 -2.24 0.02 -1.78 -2.61 113.55 106.92 1ao3 h SER 161 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ao3 h SER 161 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1ao3 h SER 161 CO 0.00 0.14 -0.06 0.59 -1.14 0.00 0.00 176.83 176.36 1ao3 n ASN 162 N -3.62 2.24 -4.80 3.07 4.13 -0.94 -4.97 115.26 110.36 1ao3 n ASN 162 Ca -0.02 -1.62 -0.38 0.00 1.68 0.00 0.00 54.58 54.25 1ao3 n ASN 162 Cb 0.27 0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.54 1ao3 n ASN 162 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ao3 s VAL 163 N -1.49 4.98 -0.13 2.41 1.01 -0.99 -3.59 120.40 122.60 1ao3 s VAL 163 Ca 0.18 0.99 0.02 0.00 0.00 0.00 0.00 61.98 63.18 1ao3 s VAL 163 Cb 0.14 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1ao3 s VAL 163 CO 0.25 0.51 -0.20 -0.69 0.00 0.00 0.00 175.10 174.96 1ao3 s VAL 164 N -0.65 1.90 -0.24 2.92 1.01 -0.54 -4.99 120.40 119.81 1ao3 s VAL 164 Ca 0.26 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ao3 s VAL 164 Cb -0.17 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 1ao3 s VAL 164 CO 0.14 0.52 -0.01 -0.54 0.00 0.00 0.00 175.10 175.21 1ao3 s LYS 165 N 0.89 3.30 -0.09 2.72 1.02 -1.26 -0.50 119.74 125.83 1ao3 s LYS 165 Ca -0.06 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1ao3 s LYS 165 Cb -0.15 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.02 1ao3 s LYS 165 CO -0.02 -0.26 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.55 1ao3 s LEU 166 N 1.48 3.06 0.03 3.17 1.02 0.21 -4.98 118.68 122.67 1ao3 s LEU 166 Ca 0.05 -0.10 0.09 0.00 0.02 0.00 0.00 54.13 54.18 1ao3 s LEU 166 Cb -0.15 -1.68 -0.23 0.00 0.02 0.00 0.00 46.19 44.16 1ao3 s LEU 166 CO -0.02 0.31 0.94 0.06 0.02 0.00 0.00 176.35 177.66 1ao3 h GLN 167 N 5.67 0.03 -5.17 1.70 -0.00 -1.86 0.45 115.11 115.92 1ao3 h GLN 167 Ca -0.43 -0.04 -0.42 0.00 -0.00 0.00 0.00 58.65 57.76 1ao3 h GLN 167 Cb 1.18 0.02 -0.24 0.00 -0.00 0.00 0.00 27.48 28.43 1ao3 h GLN 167 CO 0.54 0.77 -0.78 1.03 -0.00 0.00 0.00 178.83 180.39 1ao3 s ARG 168 N -2.65 0.85 0.41 0.06 0.52 -1.26 -3.84 118.95 113.04 1ao3 s ARG 168 Ca -0.03 -0.73 0.08 0.00 -0.52 0.00 0.00 55.73 54.53 1ao3 s ARG 168 Cb 0.09 -0.83 0.86 0.00 0.52 0.00 0.00 34.95 35.58 1ao3 s ARG 168 CO 0.82 0.20 2.04 0.97 0.02 0.00 0.00 175.30 179.35 1ao3 h ILE 169 N 4.53 1.11 0.00 1.52 6.09 -1.95 -1.13 117.51 127.68 1ao3 h ILE 169 Ca -0.37 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 1ao3 h ILE 169 Cb 1.18 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.12 1ao3 h ILE 169 CO 0.44 0.12 0.00 -0.62 -3.07 0.00 0.00 178.15 175.02 1ao3 n GLU 170 N -4.44 0.17 0.07 2.19 4.71 -1.26 -1.35 120.64 120.72 1ao3 n GLU 170 Ca 0.02 0.49 0.13 0.00 -0.01 0.00 0.00 57.16 57.79 1ao3 n GLU 170 Cb 0.10 -1.88 0.37 0.00 -1.01 0.00 0.00 31.44 29.02 1ao3 n GLU 170 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ao3 n ASP 171 N -2.21 0.64 0.44 1.62 8.00 -0.43 -4.33 116.55 120.28 1ao3 n ASP 171 Ca 0.01 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 55.74 1ao3 n ASP 171 Cb 0.16 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 40.73 1ao3 n ASP 171 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ao3 h LEU 172 N 0.00 -0.96 -1.36 0.64 5.85 -1.33 -2.81 115.31 115.34 1ao3 h LEU 172 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1ao3 h LEU 172 Cb 0.69 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ao3 h LEU 172 CO 0.00 -0.62 -0.16 1.55 -0.34 0.00 0.00 178.44 178.87 1ao3 h PRO 173 N -1.27 0.23 0.00 5.25 0.13 -1.77 -1.78 132.00 132.79 1ao3 h PRO 173 Ca -0.12 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ao3 h PRO 173 Cb 0.87 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ao3 h PRO 173 CO 0.19 0.40 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1ao3 h THR 174 N 0.22 0.00 0.00 1.56 1.03 -1.74 -0.94 112.91 113.04 1ao3 h THR 174 Ca 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1ao3 h THR 174 Cb 0.42 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1ao3 h THR 174 CO 0.03 0.00 0.00 -0.03 -0.01 0.00 0.00 175.52 175.51 1ao3 h MET 175 N 0.00 0.00 0.00 0.00 -1.53 -1.05 -1.41 114.93 110.94 1ao3 h MET 175 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1ao3 h MET 175 Cb 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 1ao3 h MET 175 CO 0.00 0.00 -1.29 1.33 0.14 0.00 0.00 176.91 177.09 1ao3 n VAL 176 N -3.01 0.00 0.03 -5.77 0.24 -0.41 -4.45 118.33 104.96 1ao3 n VAL 176 Ca 0.02 -0.21 -0.17 0.00 -2.04 0.00 0.00 64.34 61.94 1ao3 n VAL 176 Cb 0.40 0.38 -0.14 0.00 -1.47 0.00 0.00 33.84 33.01 1ao3 n VAL 176 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1ao3 h THR 177 N 0.00 0.90 -0.42 3.34 1.35 -1.40 -3.37 112.91 113.30 1ao3 h THR 177 Ca 0.00 -2.62 -0.27 0.00 -0.55 0.00 0.00 66.41 62.98 1ao3 h THR 177 Cb 0.38 2.60 -0.10 0.00 -1.73 0.00 0.00 68.15 69.30 1ao3 h THR 177 CO 0.00 0.77 0.19 -0.11 -0.25 0.00 0.00 175.52 176.12 1ao3 n LEU 178 N -3.37 6.03 0.00 3.87 7.94 -0.54 -4.89 117.00 126.05 1ao3 n LEU 178 Ca -0.22 -3.25 0.00 0.00 -1.11 0.00 0.00 56.01 51.43 1ao3 n LEU 178 Cb 1.05 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.83 1ao3 n LEU 178 CO 0.47 1.36 0.00 0.61 -1.11 0.00 0.00 177.39 178.72 1ao3 n GLY 179 N 1.05 3.69 2.14 -3.96 0.00 -1.26 -4.87 105.19 101.97 1ao3 n GLY 179 Ca 0.29 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 6.84 -0.04 1.61 4.13 -1.26 -4.51 115.26 122.03 1ao3 n ASN 180 Ca 0.00 -3.30 -0.14 0.00 1.68 0.00 0.00 54.58 52.82 1ao3 n ASN 180 Cb 0.00 -1.06 -0.11 0.00 -1.54 0.00 0.00 39.78 37.06 1ao3 n ASN 180 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ao3 h SER 181 N 1.89 0.04 0.14 6.41 0.02 -1.89 -2.89 113.55 117.27 1ao3 h SER 181 Ca 0.40 -0.73 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1ao3 h SER 181 Cb 0.82 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1ao3 h SER 181 CO 1.02 0.77 -0.07 0.15 -1.14 0.00 0.00 176.83 177.56 1ao3 h PHE 182 N -0.68 -0.18 -0.12 3.45 3.57 -1.80 -2.37 116.94 118.81 1ao3 h PHE 182 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1ao3 h PHE 182 Cb 0.77 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1ao3 h PHE 182 CO 0.18 0.00 0.16 -0.07 -2.23 0.00 0.00 178.31 176.35 1ao3 h LEU 183 N -0.33 0.00 -0.13 0.59 4.07 -1.90 0.17 115.31 117.78 1ao3 h LEU 183 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 1ao3 h LEU 183 Cb 0.26 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1ao3 h LEU 183 CO 0.03 0.00 0.04 0.45 -1.08 0.00 0.00 178.44 177.88 1ao3 h HIS 184 N 0.00 0.20 0.00 1.13 3.86 -1.20 -2.35 115.15 116.79 1ao3 h HIS 184 Ca 0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1ao3 h HIS 184 Cb 0.37 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 1ao3 h HIS 184 CO 0.00 0.32 -0.02 -0.22 0.86 0.00 0.00 177.93 178.88 1ao3 h LYS 185 N 0.03 0.00 0.15 2.45 3.64 -0.50 -3.04 116.57 119.31 1ao3 h LYS 185 Ca 0.04 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 1ao3 h LYS 185 Cb 0.21 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1ao3 h LYS 185 CO -0.00 0.02 -0.97 -0.07 -2.27 0.00 0.00 179.45 176.15 1ao3 h LEU 186 N 0.00 0.58 0.00 5.20 3.38 -1.07 -3.52 115.31 119.89 1ao3 h LEU 186 Ca -0.00 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1ao3 h LEU 186 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ao3 h LEU 186 CO 0.00 1.46 0.00 0.00 0.09 0.00 0.00 178.44 180.00