#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ae8 s VAL 17 N 0.00 5.29 -0.94 1.39 1.01 0.03 -4.16 120.40 123.03 1ae8 s VAL 17 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1ae8 s VAL 17 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ae8 s VAL 17 CO 0.00 0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.76 1ae8 n GLU 18 N 4.63 -0.82 0.00 2.72 -0.58 -1.26 -1.99 120.64 123.33 1ae8 n GLU 18 Ca -0.13 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1ae8 n GLU 18 Cb 0.52 -4.63 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 1ae8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ae8 n GLY 19 N -1.12 1.81 3.53 0.62 0.00 -1.26 -4.75 105.19 104.01 1ae8 n GLY 19 Ca -0.12 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 1ae8 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ae8 s SER 20 N -1.00 -0.24 0.28 1.61 1.04 -0.69 -4.89 113.70 109.80 1ae8 s SER 20 Ca 0.00 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 1ae8 s SER 20 Cb 0.00 0.58 -0.12 0.00 0.10 0.00 0.00 66.02 66.58 1ae8 s SER 20 CO 0.00 -1.06 1.63 0.47 0.98 0.00 0.00 173.24 175.26 1ae8 n ASP 21 N -0.34 3.93 -4.84 7.02 9.92 -1.26 -0.20 116.55 130.77 1ae8 n ASP 21 Ca -0.09 1.13 -0.31 0.00 -0.53 0.00 0.00 54.79 54.99 1ae8 n ASP 21 Cb 0.62 -1.59 0.05 0.00 -0.64 0.00 0.00 41.12 39.56 1ae8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ae8 s ALA 22 N 0.25 2.75 0.41 2.24 0.00 0.06 -4.79 121.76 122.68 1ae8 s ALA 22 Ca 0.66 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1ae8 s ALA 22 Cb -0.49 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1ae8 s ALA 22 CO 0.45 -1.17 0.81 -1.21 0.00 0.00 0.00 175.76 174.64 1ae8 s GLU 23 N -5.17 3.84 0.29 0.00 2.02 -1.26 -4.93 118.70 113.49 1ae8 s GLU 23 Ca 0.58 0.59 -0.30 0.00 0.02 0.00 0.00 54.97 55.85 1ae8 s GLU 23 Cb -0.13 -2.35 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 1ae8 s GLU 23 CO 0.54 -0.05 1.59 0.42 0.02 0.00 0.00 175.26 177.78 1ae8 s ILE 24 N -2.37 2.08 -0.73 -1.63 -1.09 -1.26 -2.05 121.20 114.14 1ae8 s ILE 24 Ca 0.53 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1ae8 s ILE 24 Cb -0.10 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1ae8 s ILE 24 CO 0.29 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1ae8 n GLY 25 N 2.18 0.86 0.13 6.18 0.00 -1.26 -4.92 105.19 108.36 1ae8 n GLY 25 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 1ae8 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ae8 h MET 26 N 0.17 0.08 -2.03 1.61 -1.53 -1.79 -3.37 114.93 108.07 1ae8 h MET 26 Ca -0.14 -0.07 -0.56 0.00 -3.44 0.00 0.00 59.70 55.49 1ae8 h MET 26 Cb 0.63 0.02 -0.40 0.00 -0.55 0.00 0.00 31.60 31.30 1ae8 h MET 26 CO 0.21 0.77 -1.03 0.43 0.14 0.00 0.00 176.91 177.43 1ae8 n SER 27 N -3.72 0.79 0.00 1.39 7.64 -1.26 -4.96 113.62 113.50 1ae8 n SER 27 Ca -0.02 -2.83 0.06 0.00 1.01 0.00 0.00 58.87 57.10 1ae8 n SER 27 Cb 0.70 -0.64 0.32 0.00 -1.01 0.00 0.00 64.21 63.58 1ae8 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ae8 n PRO 28 N 1.26 0.18 0.00 1.43 -0.04 -1.26 -0.17 135.00 136.40 1ae8 n PRO 28 Ca 0.23 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.97 1ae8 n PRO 28 Cb 0.52 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 1ae8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ae8 n TRP 29 N -1.28 0.00 -1.91 0.54 2.14 -0.99 -1.68 117.44 114.26 1ae8 n TRP 29 Ca 0.06 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.21 1ae8 n TRP 29 Cb 0.10 -0.05 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 1ae8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ae8 s GLN 30 N -2.41 4.20 0.03 -2.67 2.00 0.75 -1.21 119.66 120.36 1ae8 s GLN 30 Ca 0.23 2.37 0.08 0.00 -2.00 0.00 0.00 55.36 56.05 1ae8 s GLN 30 Cb 0.19 -3.34 -0.03 0.00 0.80 0.00 0.00 33.01 30.63 1ae8 s GLN 30 CO 0.51 -0.67 -0.25 0.08 -0.50 0.00 0.00 175.29 174.45 1ae8 s VAL 31 N 1.80 2.01 -0.19 1.34 1.01 -0.55 -4.11 120.40 121.72 1ae8 s VAL 31 Ca 0.72 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1ae8 s VAL 31 Cb -0.43 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1ae8 s VAL 31 CO 0.32 0.40 0.03 -0.32 0.00 0.00 0.00 175.10 175.53 1ae8 s MET 32 N -1.03 3.83 -0.33 2.72 1.75 0.39 -1.58 119.30 125.04 1ae8 s MET 32 Ca 0.10 -0.42 -0.17 0.00 -1.25 0.00 0.00 55.69 53.95 1ae8 s MET 32 Cb -0.10 -3.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.42 1ae8 s MET 32 CO 0.01 0.18 0.48 -0.51 -0.65 0.00 0.00 175.02 174.54 1ae8 s LEU 33 N 0.59 4.30 -0.14 4.11 1.43 -0.60 -0.68 118.68 127.70 1ae8 s LEU 33 Ca 0.01 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1ae8 s LEU 33 Cb -0.13 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1ae8 s LEU 33 CO 0.02 -0.42 -0.15 0.12 0.23 0.00 0.00 176.35 176.15 1ae8 s PHE 34 N 2.32 2.13 0.09 0.29 5.36 0.18 -0.03 117.98 128.31 1ae8 s PHE 34 Ca 0.18 -1.14 -0.31 0.00 -0.96 0.00 0.00 56.93 54.70 1ae8 s PHE 34 Cb -0.16 -1.56 -0.07 0.00 -0.34 0.00 0.00 43.02 40.90 1ae8 s PHE 34 CO 0.12 -0.61 1.31 0.50 -1.46 0.00 0.00 175.22 175.08 1ae8 s ARG 35 N 1.33 4.37 0.15 10.12 3.52 0.51 -0.04 118.95 138.90 1ae8 s ARG 35 Ca 0.01 1.95 -0.12 0.00 -0.13 0.00 0.00 55.73 57.44 1ae8 s ARG 35 Cb -0.13 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1ae8 s ARG 35 CO -0.08 -0.37 1.59 0.87 -0.81 0.00 0.00 175.30 176.51 1ae8 h LYS 36 N 6.81 0.90 -0.98 5.12 1.57 -1.80 -2.92 116.57 125.27 1ae8 h LYS 36 Ca -0.42 -0.31 0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1ae8 h LYS 36 Cb 1.21 -0.07 -0.24 0.00 0.08 0.00 0.00 32.23 33.21 1ae8 h LYS 36 CO 0.84 0.95 0.20 0.45 -0.57 0.00 0.00 179.45 181.33 1ae8 s SER 36 N -6.44 -0.60 0.87 0.86 0.15 -1.26 -3.88 113.70 103.40 1ae8 s SER 36 Ca -0.12 0.78 -0.12 0.00 0.70 0.00 0.00 55.95 57.19 1ae8 s SER 36 Cb 0.12 1.66 0.09 0.00 -1.71 0.00 0.00 66.02 66.18 1ae8 s SER 36 CO 0.83 -0.11 1.00 -0.81 1.20 0.00 0.00 173.24 175.35 1ae8 n PRO 37 N 5.02 -0.15 -2.52 5.44 -0.04 -1.26 -5.06 135.00 136.42 1ae8 n PRO 37 Ca -0.09 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.97 1ae8 n PRO 37 Cb 0.52 -2.27 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 1ae8 n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ae8 s GLN 38 N -4.15 3.71 0.11 0.54 -0.21 -1.25 -4.66 119.66 113.76 1ae8 s GLN 38 Ca 0.67 0.74 -0.20 0.00 0.02 0.00 0.00 55.36 56.59 1ae8 s GLN 38 Cb -0.26 -3.93 0.05 0.00 1.00 0.00 0.00 33.01 29.88 1ae8 s GLN 38 CO 0.57 -1.39 0.50 -1.83 -2.12 0.00 0.00 175.29 171.02 1ae8 s GLU 39 N 4.53 1.12 0.00 2.91 -1.05 -1.10 -4.98 118.70 120.13 1ae8 s GLU 39 Ca 0.52 -0.48 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 1ae8 s GLU 39 Cb -0.10 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.05 1ae8 s GLU 39 CO 0.31 -0.45 1.29 -1.17 0.95 0.00 0.00 175.26 176.19 1ae8 s LEU 40 N -2.51 4.32 -0.26 1.83 2.96 -1.26 -0.36 118.68 123.40 1ae8 s LEU 40 Ca -0.00 2.00 -0.16 0.00 -0.22 0.00 0.00 54.13 55.75 1ae8 s LEU 40 Cb 0.00 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.98 1ae8 s LEU 40 CO -0.09 -0.62 -0.17 0.18 -1.32 0.00 0.00 176.35 174.33 1ae8 n LEU 41 N 4.92 1.95 -3.83 -0.68 4.32 0.96 -4.88 117.00 119.76 1ae8 n LEU 41 Ca 0.11 0.36 -0.05 0.00 -0.02 0.00 0.00 56.01 56.41 1ae8 n LEU 41 Cb 0.45 -0.87 0.01 0.00 -1.62 0.00 0.00 43.42 41.39 1ae8 n LEU 41 CO 0.57 0.49 0.71 0.00 -1.22 0.00 0.00 177.39 177.94 1ae8 s GLY 43 N -3.20 1.79 0.21 0.00 0.00 0.45 -1.56 107.32 105.02 1ae8 s GLY 43 Ca 0.18 -1.82 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 1ae8 s GLY 43 CO 0.06 -1.40 0.84 0.00 0.00 0.00 0.00 173.10 172.59 1ae8 n ALA 44 N -2.35 -2.12 -3.00 3.20 0.00 -0.61 -3.62 120.51 112.02 1ae8 n ALA 44 Ca 0.13 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1ae8 n ALA 44 Cb 0.61 0.60 -0.12 0.00 0.00 0.00 0.00 19.45 20.54 1ae8 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ae8 s SER 45 N -3.03 -0.04 -0.36 0.00 1.04 -0.04 -1.48 113.70 109.79 1ae8 s SER 45 Ca 0.18 0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.43 1ae8 s SER 45 Cb -0.03 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1ae8 s SER 45 CO 0.06 -0.13 0.74 -0.22 0.98 0.00 0.00 173.24 174.68 1ae8 s LEU 46 N -0.38 4.17 -0.01 2.42 0.20 -0.35 -0.53 118.68 124.21 1ae8 s LEU 46 Ca -0.04 0.28 0.15 0.00 0.69 0.00 0.00 54.13 55.21 1ae8 s LEU 46 Cb -0.03 -2.96 -0.19 0.00 -0.43 0.00 0.00 46.19 42.59 1ae8 s LEU 46 CO 0.00 -0.70 0.57 2.30 -0.29 0.00 0.00 176.35 178.24 1ae8 n ILE 47 N 5.74 0.00 -3.51 6.68 -5.35 -0.55 -2.15 119.36 120.23 1ae8 n ILE 47 Ca 0.02 -0.20 -0.03 0.00 -0.27 0.00 0.00 62.75 62.27 1ae8 n ILE 47 Cb 0.48 0.77 0.01 0.00 -1.74 0.00 0.00 39.64 39.17 1ae8 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ae8 n SER 48 N -1.54 -1.00 0.00 7.28 3.41 -1.21 -4.72 113.62 115.83 1ae8 n SER 48 Ca 0.01 -1.63 0.09 0.00 -0.26 0.00 0.00 58.87 57.09 1ae8 n SER 48 Cb 0.29 1.65 0.40 0.00 -0.26 0.00 0.00 64.21 66.29 1ae8 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ae8 n ASP 49 N -1.11 0.00 0.00 4.04 5.75 -1.26 -3.54 116.55 120.43 1ae8 n ASP 49 Ca -0.03 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 1ae8 n ASP 49 Cb 0.29 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 1ae8 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ae8 n ARG 50 N -1.46 0.51 -4.78 0.11 5.12 -1.26 -1.12 116.66 113.78 1ae8 n ARG 50 Ca 0.05 -0.19 -0.26 0.00 -1.93 0.00 0.00 57.85 55.53 1ae8 n ARG 50 Cb 0.20 -0.63 -0.16 0.00 -1.16 0.00 0.00 32.46 30.71 1ae8 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ae8 s TRP 51 N -0.13 1.68 -0.05 -1.55 0.52 -1.23 -0.33 118.94 117.84 1ae8 s TRP 51 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 56.10 55.64 1ae8 s TRP 51 Cb 0.00 -1.15 -0.02 0.00 -1.15 0.00 0.00 33.47 31.15 1ae8 s TRP 51 CO 0.00 -0.21 -0.20 0.08 0.02 0.00 0.00 176.95 176.64 1ae8 s VAL 52 N 0.22 2.53 -0.13 4.03 1.01 0.70 -1.48 120.40 127.28 1ae8 s VAL 52 Ca -0.08 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 1ae8 s VAL 52 Cb -0.13 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1ae8 s VAL 52 CO 0.03 0.57 -0.03 -0.22 0.00 0.00 0.00 175.10 175.46 1ae8 s LEU 53 N -0.40 3.34 0.00 3.92 2.96 0.31 -0.71 118.68 128.10 1ae8 s LEU 53 Ca 0.04 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1ae8 s LEU 53 Cb -0.12 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.80 1ae8 s LEU 53 CO 0.02 0.24 0.42 1.07 -1.32 0.00 0.00 176.35 176.78 1ae8 n THR 54 N 3.08 0.00 -3.13 3.68 5.66 -0.00 -0.86 114.28 122.71 1ae8 n THR 54 Ca -0.18 -1.11 -0.39 0.00 -3.05 0.00 0.00 64.05 59.32 1ae8 n THR 54 Cb 0.53 0.77 -0.05 0.00 -1.55 0.00 0.00 70.33 70.02 1ae8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ae8 s ALA 55 N -2.23 3.44 0.35 1.79 0.00 -1.26 -1.21 121.76 122.64 1ae8 s ALA 55 Ca 0.18 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1ae8 s ALA 55 Cb -0.02 -2.83 0.77 0.00 0.00 0.00 0.00 23.12 21.05 1ae8 s ALA 55 CO 0.13 0.12 1.88 0.00 0.00 0.00 0.00 175.76 177.89 1ae8 h ALA 56 N 5.69 1.77 0.00 0.00 0.00 -1.70 -1.69 119.26 123.34 1ae8 h ALA 56 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ae8 h ALA 56 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ae8 h ALA 56 CO 0.70 0.00 0.00 1.12 0.00 0.00 0.00 179.25 181.07 1ae8 h HIS 57 N 0.75 0.00 0.00 0.00 2.07 -1.91 -0.28 115.15 115.78 1ae8 h HIS 57 Ca 0.44 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.90 1ae8 h HIS 57 Cb 0.63 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.60 1ae8 h HIS 57 CO -0.00 0.00 -0.25 0.00 -3.07 0.00 0.00 177.93 174.61 1ae8 n LEU 59 N -3.64 1.70 -3.73 0.00 4.77 -0.44 -4.85 117.00 110.81 1ae8 n LEU 59 Ca -0.01 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.68 1ae8 n LEU 59 Cb 0.38 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.10 1ae8 n LEU 59 CO 0.34 0.59 -0.37 -0.22 -1.33 0.00 0.00 177.39 176.40 1ae8 s LEU 60 N -5.56 0.59 0.08 2.23 2.96 -0.24 0.14 118.68 118.87 1ae8 s LEU 60 Ca -0.16 -0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.29 1ae8 s LEU 60 Cb 0.05 -0.39 0.05 0.00 0.50 0.00 0.00 46.19 46.40 1ae8 s LEU 60 CO 0.46 -0.24 0.53 -0.47 -1.32 0.00 0.00 176.35 175.31 1ae8 s TYR 60 N 2.00 -0.43 0.00 5.38 5.04 0.76 -4.11 117.35 126.00 1ae8 s TYR 60 Ca 0.04 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.05 1ae8 s TYR 60 Cb -0.13 0.38 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1ae8 s TYR 60 CO -0.06 -0.70 0.00 -2.30 -1.34 0.00 0.00 175.55 171.16 1ae8 n PRO 60 N 0.16 0.00 -0.11 4.97 -0.02 -1.26 -1.58 135.00 137.16 1ae8 n PRO 60 Ca -0.18 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1ae8 n PRO 60 Cb 0.62 0.00 0.10 0.00 -0.02 0.00 0.00 33.50 34.20 1ae8 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ae8 n TRP 60 N 0.00 0.21 -2.10 6.00 8.01 -1.26 -4.96 117.44 123.34 1ae8 n TRP 60 Ca 0.00 -0.68 -0.18 0.00 -1.31 0.00 0.00 57.50 55.33 1ae8 n TRP 60 Cb 0.00 -0.11 -0.03 0.00 -2.01 0.00 0.00 31.31 29.17 1ae8 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ae8 n ASP 60 N -0.55 -5.28 -4.62 -0.99 8.00 -1.13 -4.96 116.55 107.04 1ae8 n ASP 60 Ca 0.09 0.12 -0.39 0.00 0.71 0.00 0.00 54.79 55.32 1ae8 n ASP 60 Cb 0.47 -4.35 -0.08 0.00 -0.02 0.00 0.00 41.12 37.13 1ae8 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ae8 s LYS 60 N -4.50 4.05 -0.46 -1.24 2.20 -0.62 -4.96 119.74 114.22 1ae8 s LYS 60 Ca 0.00 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 55.88 1ae8 s LYS 60 Cb 0.00 -3.65 0.24 0.00 -1.51 0.00 0.00 37.83 32.91 1ae8 s LYS 60 CO 0.00 -0.31 0.76 -1.71 -0.36 0.00 0.00 175.35 173.73 1ae8 n ASN 60 N 5.40 -1.88 -4.76 1.43 5.15 -1.23 -0.17 115.26 119.20 1ae8 n ASN 60 Ca -0.06 -3.09 -0.36 0.00 -0.60 0.00 0.00 54.58 50.47 1ae8 n ASN 60 Cb 0.50 1.00 0.02 0.00 -0.53 0.00 0.00 39.78 40.77 1ae8 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ae8 s PHE 60 N 0.08 2.53 0.24 1.20 0.08 0.12 -4.99 117.98 117.24 1ae8 s PHE 60 Ca 0.33 1.52 0.08 0.00 0.12 0.00 0.00 56.93 58.98 1ae8 s PHE 60 Cb 0.20 -3.41 -0.05 0.00 -0.57 0.00 0.00 43.02 39.20 1ae8 s PHE 60 CO -0.20 -1.93 -0.11 0.99 -0.10 0.00 0.00 175.22 173.87 1ae8 s THR 60 N -1.65 1.74 0.24 0.64 2.01 -1.26 -4.87 115.64 112.49 1ae8 s THR 60 Ca 0.75 -2.19 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 1ae8 s THR 60 Cb -0.28 -2.22 0.31 0.00 0.01 0.00 0.00 72.50 70.32 1ae8 s THR 60 CO 0.31 -0.47 1.58 -0.33 -0.69 0.00 0.00 174.62 175.02 1ae8 h GLU 61 N 2.43 -0.03 0.00 4.92 4.39 -1.94 0.62 114.58 124.98 1ae8 h GLU 61 Ca -0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1ae8 h GLU 61 Cb 1.23 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1ae8 h GLU 61 CO 0.64 -0.02 0.00 0.09 -1.16 0.00 0.00 179.01 178.56 1ae8 n ASN 62 N -5.52 0.00 0.06 1.42 3.02 -1.26 -2.84 115.26 110.13 1ae8 n ASN 62 Ca 0.11 -0.32 0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1ae8 n ASN 62 Cb 0.42 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.43 1ae8 n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ae8 n ASP 63 N -1.13 0.59 -4.48 6.41 8.00 0.22 -4.99 116.55 121.17 1ae8 n ASP 63 Ca 0.12 0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.51 1ae8 n ASP 63 Cb 0.10 0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 41.98 1ae8 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ae8 s LEU 64 N -4.83 2.62 0.02 0.64 1.43 -1.13 -2.53 118.68 114.91 1ae8 s LEU 64 Ca -0.01 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 51.97 1ae8 s LEU 64 Cb 0.12 -0.91 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1ae8 s LEU 64 CO 0.82 -0.17 -0.07 -0.76 0.23 0.00 0.00 176.35 176.40 1ae8 s LEU 65 N -3.52 2.12 -0.21 1.79 1.02 0.94 -4.57 118.68 116.25 1ae8 s LEU 65 Ca 0.30 -0.30 -0.04 0.00 0.02 0.00 0.00 54.13 54.11 1ae8 s LEU 65 Cb 0.01 -0.24 -0.02 0.00 0.02 0.00 0.00 46.19 45.96 1ae8 s LEU 65 CO 0.14 -0.05 -0.02 -0.69 0.02 0.00 0.00 176.35 175.75 1ae8 s VAL 66 N -0.68 3.66 -0.22 -1.59 1.01 -0.90 0.48 120.40 122.17 1ae8 s VAL 66 Ca -0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ae8 s VAL 66 Cb -0.06 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1ae8 s VAL 66 CO 0.00 0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 175.34 1ae8 s ARG 67 N 1.19 3.35 0.05 2.72 0.52 0.15 -0.77 118.95 126.15 1ae8 s ARG 67 Ca 0.03 -0.64 0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1ae8 s ARG 67 Cb -0.14 -2.98 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 1ae8 s ARG 67 CO 0.00 -0.19 -0.17 0.42 0.02 0.00 0.00 175.30 175.38 1ae8 s ILE 68 N 1.45 2.89 0.00 1.52 1.01 0.49 -0.46 121.20 128.10 1ae8 s ILE 68 Ca 0.06 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1ae8 s ILE 68 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1ae8 s ILE 68 CO -0.04 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1ae8 n GLY 69 N 1.41 0.44 3.87 6.18 0.00 -1.26 -0.92 105.19 114.91 1ae8 n GLY 69 Ca -0.16 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1ae8 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ae8 s LYS 70 N -1.96 3.74 0.14 1.61 1.02 -1.26 -4.38 119.74 118.66 1ae8 s LYS 70 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.66 1ae8 s LYS 70 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1ae8 s LYS 70 CO 0.00 -0.30 0.00 1.58 -0.92 0.00 0.00 175.35 175.71 1ae8 n HIS 71 N -1.99 -0.87 -2.17 3.18 -0.00 -1.26 -4.95 115.22 107.15 1ae8 n HIS 71 Ca 0.05 0.15 -0.41 0.00 -0.00 0.00 0.00 57.72 57.51 1ae8 n HIS 71 Cb 0.54 0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.75 1ae8 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ae8 s SER 72 N -5.46 6.85 0.01 0.26 0.15 -1.26 -1.46 113.70 112.79 1ae8 s SER 72 Ca 0.00 2.52 -0.25 0.00 0.70 0.00 0.00 55.95 58.91 1ae8 s SER 72 Cb 0.00 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.52 1ae8 s SER 72 CO 0.00 -0.53 1.26 -0.09 1.20 0.00 0.00 173.24 175.08 1ae8 h ARG 73 N 4.67 -0.43 0.00 5.44 2.43 -1.48 -3.39 114.38 121.62 1ae8 h ARG 73 Ca -0.46 0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.56 1ae8 h ARG 73 Cb 1.22 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1ae8 h ARG 73 CO 0.73 -0.12 -2.06 0.25 -1.51 0.00 0.00 179.97 177.26 1ae8 n THR 74 N -5.16 0.75 -2.37 0.20 -2.24 -1.26 -5.00 114.28 99.21 1ae8 n THR 74 Ca -0.10 -0.68 -0.37 0.00 -2.27 0.00 0.00 64.05 60.64 1ae8 n THR 74 Cb 0.27 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1ae8 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ae8 s ARG 75 N -3.01 3.90 -0.60 -0.78 3.00 -1.26 -4.98 118.95 115.23 1ae8 s ARG 75 Ca -0.08 1.67 -0.23 0.00 0.00 0.00 0.00 55.73 57.09 1ae8 s ARG 75 Cb 0.10 -2.44 0.05 0.00 0.00 0.00 0.00 34.95 32.66 1ae8 s ARG 75 CO 0.86 -0.41 0.93 -0.47 0.00 0.00 0.00 175.30 176.22 1ae8 s TYR 76 N -1.60 2.75 -1.12 -0.53 5.04 -1.26 -4.88 117.35 115.75 1ae8 s TYR 76 Ca 0.62 -0.28 -0.19 0.00 -2.44 0.00 0.00 57.07 54.78 1ae8 s TYR 76 Cb -0.26 -4.13 -0.05 0.00 0.35 0.00 0.00 41.96 37.87 1ae8 s TYR 76 CO 0.32 -1.47 1.98 0.39 -1.34 0.00 0.00 175.55 175.43 1ae8 n GLU 77 N 7.51 2.16 -1.58 4.97 1.02 -1.26 -4.95 120.64 128.50 1ae8 n GLU 77 Ca -0.01 -2.41 -0.50 0.00 -0.02 0.00 0.00 57.16 54.22 1ae8 n GLU 77 Cb 0.46 -3.28 -0.05 0.00 -0.02 0.00 0.00 31.44 28.56 1ae8 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ae8 n ARG 77 N 7.26 1.16 -0.90 3.49 0.63 -1.26 -0.98 116.66 126.06 1ae8 n ARG 77 Ca 0.49 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1ae8 n ARG 77 Cb 0.42 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.36 1ae8 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ae8 n ASN 78 N 2.21 -3.19 0.03 6.15 5.03 -1.26 -4.78 115.26 119.46 1ae8 n ASN 78 Ca 0.16 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.61 1ae8 n ASN 78 Cb 0.22 -2.04 -0.00 0.00 -1.02 0.00 0.00 39.78 36.94 1ae8 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ae8 n ILE 79 N -2.26 0.97 -2.06 2.41 5.41 -0.15 -5.07 119.36 118.60 1ae8 n ILE 79 Ca 0.00 0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.74 1ae8 n ILE 79 Cb 0.20 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 37.64 1ae8 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ae8 s GLU 80 N -1.81 3.44 -0.05 0.38 -1.05 -0.81 -4.84 118.70 113.96 1ae8 s GLU 80 Ca -0.01 1.09 0.05 0.00 -0.15 0.00 0.00 54.97 55.95 1ae8 s GLU 80 Cb 0.00 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.63 1ae8 s GLU 80 CO 0.02 -0.70 -0.21 0.15 0.95 0.00 0.00 175.26 175.47 1ae8 s LYS 81 N -4.25 2.11 -0.16 -4.83 3.01 -0.10 -4.93 119.74 110.60 1ae8 s LYS 81 Ca 0.61 -0.74 -0.04 0.00 -1.01 0.00 0.00 55.97 54.80 1ae8 s LYS 81 Cb -0.14 -1.81 -0.03 0.00 -1.01 0.00 0.00 37.83 34.84 1ae8 s LYS 81 CO 0.39 0.31 -0.04 0.42 0.51 0.00 0.00 175.35 176.93 1ae8 s ILE 82 N -0.06 3.83 0.12 2.17 1.01 -1.26 -0.38 121.20 126.64 1ae8 s ILE 82 Ca -0.04 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1ae8 s ILE 82 Cb -0.12 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1ae8 s ILE 82 CO 0.03 0.49 -0.11 -0.44 0.00 0.00 0.00 174.94 174.91 1ae8 s SER 83 N 0.41 1.71 0.05 3.58 0.01 0.05 -4.99 113.70 114.51 1ae8 s SER 83 Ca -0.04 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.36 1ae8 s SER 83 Cb -0.14 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 1ae8 s SER 83 CO 0.03 -0.25 0.11 -0.04 0.41 0.00 0.00 173.24 173.51 1ae8 s MET 84 N -3.03 3.09 -0.01 12.44 -1.94 -1.26 -2.11 119.30 126.47 1ae8 s MET 84 Ca 0.10 -0.56 -0.21 0.00 -1.71 0.00 0.00 55.69 53.31 1ae8 s MET 84 Cb -0.02 -2.85 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1ae8 s MET 84 CO 0.01 0.60 0.62 -0.51 -0.01 0.00 0.00 175.02 175.73 1ae8 s LEU 85 N -2.22 4.40 -0.15 -0.03 1.43 -1.26 0.16 118.68 121.02 1ae8 s LEU 85 Ca 0.29 1.17 -0.08 0.00 -1.03 0.00 0.00 54.13 54.48 1ae8 s LEU 85 Cb -0.12 -2.96 -0.24 0.00 0.03 0.00 0.00 46.19 42.89 1ae8 s LEU 85 CO 0.21 0.06 0.28 1.21 0.23 0.00 0.00 176.35 178.34 1ae8 n GLU 86 N 2.93 0.72 -3.63 1.70 2.13 0.11 -4.67 120.64 119.93 1ae8 n GLU 86 Ca -0.06 0.30 -0.13 0.00 0.66 0.00 0.00 57.16 57.92 1ae8 n GLU 86 Cb 0.51 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.46 1ae8 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ae8 s LYS 87 N -2.53 0.81 -0.10 5.31 2.36 -1.12 -5.00 119.74 119.48 1ae8 s LYS 87 Ca -0.25 0.97 -0.03 0.00 -2.55 0.00 0.00 55.97 54.12 1ae8 s LYS 87 Cb 0.07 0.39 -0.03 0.00 -1.05 0.00 0.00 37.83 37.21 1ae8 s LYS 87 CO 0.73 -0.10 0.01 0.42 1.55 0.00 0.00 175.35 177.96 1ae8 s ILE 88 N 0.40 4.40 -0.11 5.43 1.01 -1.26 -1.52 121.20 129.54 1ae8 s ILE 88 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 1ae8 s ILE 88 Cb -0.05 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1ae8 s ILE 88 CO -0.00 0.59 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 1ae8 s TYR 89 N -0.73 1.24 -0.07 3.97 1.51 0.15 -5.01 117.35 118.41 1ae8 s TYR 89 Ca 0.12 -0.63 -0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1ae8 s TYR 89 Cb -0.12 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 1ae8 s TYR 89 CO 0.02 -0.48 0.13 0.42 -1.11 0.00 0.00 175.55 174.53 1ae8 s ILE 90 N 1.79 5.27 0.06 2.71 1.01 -1.26 -0.42 121.20 130.35 1ae8 s ILE 90 Ca 0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 60.65 60.32 1ae8 s ILE 90 Cb -0.13 -3.35 -0.14 0.00 0.01 0.00 0.00 42.46 38.85 1ae8 s ILE 90 CO -0.07 0.50 1.60 1.57 0.00 0.00 0.00 174.94 178.54 1ae8 n HIS 91 N 1.60 2.09 0.33 3.97 -0.00 -0.94 -4.81 115.22 117.47 1ae8 n HIS 91 Ca -0.16 0.32 0.21 0.00 -0.00 0.00 0.00 57.72 58.09 1ae8 n HIS 91 Cb 0.54 -2.51 1.16 0.00 -0.00 0.00 0.00 29.99 29.17 1ae8 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ae8 h PRO 92 N 6.37 0.00 -0.24 1.57 0.13 -1.95 -1.56 132.00 136.32 1ae8 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ae8 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ae8 h PRO 92 CO 0.88 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.19 1ae8 n ARG 93 N -3.19 2.77 -1.65 0.86 1.74 -1.26 -5.02 116.66 110.91 1ae8 n ARG 93 Ca -0.03 -2.66 -0.47 0.00 -0.77 0.00 0.00 57.85 53.92 1ae8 n ARG 93 Cb 0.09 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 29.78 1ae8 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1ae8 n TYR 94 N -0.44 2.12 -3.45 -1.55 9.36 -0.59 -4.79 117.16 117.82 1ae8 n TYR 94 Ca 0.19 0.34 -0.39 0.00 3.32 0.00 0.00 57.90 61.35 1ae8 n TYR 94 Cb 0.78 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.95 1ae8 n TYR 94 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ae8 n ASN 95 N 3.36 4.90 0.07 2.98 2.85 -0.21 -4.82 115.26 124.38 1ae8 n ASN 95 Ca 0.18 -3.15 0.12 0.00 -0.11 0.00 0.00 54.58 51.62 1ae8 n ASN 95 Cb 0.27 -1.17 0.47 0.00 1.24 0.00 0.00 39.78 40.59 1ae8 n ASN 95 CO 0.00 0.00 0.00 -2.67 -2.11 0.00 0.00 177.26 172.48 1ae8 n TRP 96 N 2.23 0.54 0.08 1.20 4.27 -1.26 -0.49 117.44 124.01 1ae8 n TRP 96 Ca 0.23 0.17 -0.09 0.00 -3.89 0.00 0.00 57.50 53.92 1ae8 n TRP 96 Cb 0.37 -0.78 -0.03 0.00 -1.36 0.00 0.00 31.31 29.52 1ae8 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ae8 h ARG 97 N 0.00 0.20 0.00 -2.67 3.08 -2.00 -3.44 114.38 109.55 1ae8 h ARG 97 Ca 0.00 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1ae8 h ARG 97 Cb 0.55 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1ae8 h ARG 97 CO 0.00 0.98 0.00 -1.91 -1.07 0.00 0.00 179.97 177.97 1ae8 n GLU 97 N -3.63 0.00 -0.20 0.04 2.13 -1.21 -5.00 120.64 112.76 1ae8 n GLU 97 Ca -0.04 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.81 1ae8 n GLU 97 Cb 0.83 -0.15 0.03 0.00 0.27 0.00 0.00 31.44 32.43 1ae8 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ae8 n ASN 98 N -2.49 0.88 -1.25 4.31 0.23 -1.17 -4.99 115.26 110.80 1ae8 n ASN 98 Ca 0.00 -2.03 -0.14 0.00 -0.53 0.00 0.00 54.58 51.88 1ae8 n ASN 98 Cb 0.00 -0.18 -0.04 0.00 -2.08 0.00 0.00 39.78 37.48 1ae8 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ae8 n LEU 99 N -0.43 -1.24 -4.76 -4.53 4.77 0.36 -4.96 117.00 106.21 1ae8 n LEU 99 Ca 0.04 0.21 -0.41 0.00 -0.03 0.00 0.00 56.01 55.82 1ae8 n LEU 99 Cb 0.57 -2.08 -0.01 0.00 -2.33 0.00 0.00 43.42 39.57 1ae8 n LEU 99 CO 0.00 -0.51 1.12 -0.62 -1.33 0.00 0.00 177.39 176.06 1ae8 s ASP 100 N -2.68 6.52 -0.94 -1.43 2.15 -1.24 -2.57 116.67 116.49 1ae8 s ASP 100 Ca 0.00 2.85 -0.01 0.00 0.43 0.00 0.00 52.55 55.83 1ae8 s ASP 100 Cb 0.00 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1ae8 s ASP 100 CO 0.00 -0.77 0.79 0.54 -0.17 0.00 0.00 175.17 175.56 1ae8 n ARG 101 N 1.42 -5.24 -2.74 4.34 1.74 -1.26 -1.05 116.66 113.88 1ae8 n ARG 101 Ca 0.04 0.66 -0.43 0.00 -0.77 0.00 0.00 57.85 57.35 1ae8 n ARG 101 Cb 0.40 -5.11 -0.01 0.00 -1.02 0.00 0.00 32.46 26.71 1ae8 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1ae8 s ASP 102 N -3.98 6.80 -0.04 0.55 2.15 -1.06 -4.29 116.67 116.79 1ae8 s ASP 102 Ca 0.04 -2.32 -0.16 0.00 0.43 0.00 0.00 52.55 50.54 1ae8 s ASP 102 Cb -0.02 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1ae8 s ASP 102 CO 0.57 -1.11 0.36 -0.51 -0.17 0.00 0.00 175.17 174.31 1ae8 s ILE 103 N 3.38 0.04 -0.09 4.11 2.07 -1.26 -3.98 121.20 125.47 1ae8 s ILE 103 Ca 0.45 -0.33 -0.25 0.00 -1.41 0.00 0.00 60.65 59.11 1ae8 s ILE 103 Cb -0.00 -0.64 0.06 0.00 0.13 0.00 0.00 42.46 42.01 1ae8 s ILE 103 CO -0.01 -0.18 0.58 0.00 -1.91 0.00 0.00 174.94 173.42 1ae8 s ALA 104 N -1.00 -1.49 -0.02 1.50 0.00 -0.35 -2.21 121.76 118.18 1ae8 s ALA 104 Ca -0.11 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1ae8 s ALA 104 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1ae8 s ALA 104 CO 0.04 -0.32 -0.13 -0.51 0.00 0.00 0.00 175.76 174.84 1ae8 s LEU 105 N -0.78 2.84 -0.13 0.00 1.43 0.44 -0.82 118.68 121.66 1ae8 s LEU 105 Ca -0.08 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1ae8 s LEU 105 Cb -0.02 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1ae8 s LEU 105 CO 0.06 0.31 -0.11 -0.04 0.23 0.00 0.00 176.35 176.80 1ae8 s MET 106 N -1.05 1.92 -0.27 1.70 -1.94 0.12 0.29 119.30 120.06 1ae8 s MET 106 Ca 0.14 -0.41 -0.19 0.00 -1.71 0.00 0.00 55.69 53.51 1ae8 s MET 106 Cb -0.11 -1.83 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 1ae8 s MET 106 CO 0.03 -0.24 0.57 0.21 -0.01 0.00 0.00 175.02 175.58 1ae8 s LYS 107 N 1.55 4.04 0.52 2.03 2.20 -0.58 -0.22 119.74 129.28 1ae8 s LYS 107 Ca 0.04 0.37 -0.21 0.00 -0.36 0.00 0.00 55.97 55.81 1ae8 s LYS 107 Cb -0.13 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 1ae8 s LYS 107 CO -0.09 -0.42 1.21 -0.51 -0.36 0.00 0.00 175.35 175.18 1ae8 s LEU 108 N 2.43 3.86 0.34 5.43 1.43 0.55 0.10 118.68 132.82 1ae8 s LEU 108 Ca 0.23 2.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.76 1ae8 s LEU 108 Cb -0.15 -4.38 0.61 0.00 0.03 0.00 0.00 46.19 42.30 1ae8 s LEU 108 CO 0.10 -1.26 2.00 0.50 0.23 0.00 0.00 176.35 177.91 1ae8 h LYS 109 N 1.53 0.87 -3.12 1.70 3.64 0.13 -3.40 116.57 117.92 1ae8 h LYS 109 Ca -0.50 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.71 1ae8 h LYS 109 Cb 1.27 -0.20 -0.19 0.00 -0.41 0.00 0.00 32.23 32.70 1ae8 h LYS 109 CO 0.58 0.58 -0.28 0.15 -2.27 0.00 0.00 179.45 178.20 1ae8 s LYS 110 N -5.76 0.69 0.46 1.90 1.02 -1.26 -4.94 119.74 111.85 1ae8 s LYS 110 Ca -0.10 -0.27 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 1ae8 s LYS 110 Cb 0.18 0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 37.71 1ae8 s LYS 110 CO 0.77 -0.20 1.35 -2.30 -0.92 0.00 0.00 175.35 174.06 1ae8 n PRO 111 N 1.13 2.01 -3.75 -1.68 -0.02 -1.26 -4.88 135.00 126.54 1ae8 n PRO 111 Ca -0.21 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 1ae8 n PRO 111 Cb 0.57 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1ae8 n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ae8 s VAL 112 N -1.22 5.25 -0.05 -1.45 0.11 -0.28 -5.01 120.40 117.75 1ae8 s VAL 112 Ca 0.63 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 59.52 1ae8 s VAL 112 Cb -0.46 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 1ae8 s VAL 112 CO 0.56 0.14 0.31 0.00 -3.33 0.00 0.00 175.10 172.78 1ae8 s ALA 113 N -1.54 3.74 0.65 1.54 0.00 -1.26 -4.82 121.76 120.07 1ae8 s ALA 113 Ca 0.36 -0.37 -0.15 0.00 0.00 0.00 0.00 51.96 51.81 1ae8 s ALA 113 Cb -0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.73 1ae8 s ALA 113 CO 0.24 0.49 1.08 -0.06 0.00 0.00 0.00 175.76 177.51 1ae8 s PHE 114 N -0.91 2.80 0.04 0.00 0.08 -1.26 -4.92 117.98 113.82 1ae8 s PHE 114 Ca 0.20 1.52 -0.01 0.00 0.12 0.00 0.00 56.93 58.76 1ae8 s PHE 114 Cb -0.15 -3.07 0.01 0.00 -0.57 0.00 0.00 43.02 39.24 1ae8 s PHE 114 CO 0.10 -1.44 0.08 -1.13 -0.10 0.00 0.00 175.22 172.73 1ae8 n SER 115 N -2.42 -0.24 0.27 1.36 3.41 -0.48 -4.95 113.62 110.58 1ae8 n SER 115 Ca 0.09 -1.17 0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1ae8 n SER 115 Cb 0.53 0.40 0.78 0.00 -0.26 0.00 0.00 64.21 65.65 1ae8 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ae8 h ASP 116 N 0.21 0.00 -0.01 4.04 3.32 -1.99 -3.09 116.42 118.90 1ae8 h ASP 116 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ae8 h ASP 116 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ae8 h ASP 116 CO 0.04 0.07 -0.32 -1.22 -1.72 0.00 0.00 179.24 176.10 1ae8 n TYR 117 N -3.85 0.00 -3.78 4.55 4.01 -1.26 -4.80 117.16 112.03 1ae8 n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 1ae8 n TYR 117 Cb 0.16 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.03 1ae8 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ae8 s ILE 118 N -1.75 0.67 -0.27 -0.72 1.01 -1.17 -4.15 121.20 114.82 1ae8 s ILE 118 Ca 0.11 -0.56 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1ae8 s ILE 118 Cb 0.11 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.57 1ae8 s ILE 118 CO 0.37 -0.11 0.75 -2.28 0.00 0.00 0.00 174.94 173.66 1ae8 s HIS 119 N 1.80 -0.79 0.51 3.97 2.46 -0.68 -1.38 115.29 121.18 1ae8 s HIS 119 Ca -0.01 1.87 -0.18 0.00 0.47 0.00 0.00 55.06 57.22 1ae8 s HIS 119 Cb -0.17 0.32 -0.08 0.00 -0.13 0.00 0.00 32.58 32.53 1ae8 s HIS 119 CO -0.07 -0.38 1.00 -1.25 -2.47 0.00 0.00 174.74 171.56 1ae8 s PRO 120 N 0.53 3.86 0.31 2.88 0.04 -1.26 -2.34 135.00 139.02 1ae8 s PRO 120 Ca -0.01 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1ae8 s PRO 120 Cb -0.05 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1ae8 s PRO 120 CO -0.02 -0.35 0.53 0.54 0.04 0.00 0.00 177.00 177.73 1ae8 s VAL 121 N -2.40 5.10 0.40 -0.36 0.11 -0.91 -4.92 120.40 117.42 1ae8 s VAL 121 Ca 0.62 -0.30 -0.14 0.00 -2.93 0.00 0.00 61.98 59.23 1ae8 s VAL 121 Cb -0.12 -3.80 -0.08 0.00 -1.53 0.00 0.00 36.38 30.84 1ae8 s VAL 121 CO 0.27 -0.43 0.81 0.00 -3.33 0.00 0.00 175.10 172.42 1ae8 s LEU 123 N -3.49 4.38 0.60 0.00 1.43 -1.26 -1.10 118.68 119.24 1ae8 s LEU 123 Ca 0.55 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 1ae8 s LEU 123 Cb -0.10 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 1ae8 s LEU 123 CO 0.24 0.28 1.19 -2.16 0.23 0.00 0.00 176.35 176.13 1ae8 s PRO 124 N -0.59 2.94 0.27 1.29 0.04 -1.26 -4.94 135.00 132.75 1ae8 s PRO 124 Ca 0.19 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.05 1ae8 s PRO 124 Cb -0.14 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1ae8 s PRO 124 CO 0.08 -1.21 0.31 0.16 0.04 0.00 0.00 177.00 176.38 1ae8 s ASP 125 N -1.73 5.88 0.27 6.66 1.47 -1.26 -4.92 116.67 123.05 1ae8 s ASP 125 Ca 0.76 -0.14 -0.00 0.00 1.18 0.00 0.00 52.55 54.35 1ae8 s ASP 125 Cb -0.29 -1.52 0.60 0.00 -0.34 0.00 0.00 42.92 41.38 1ae8 s ASP 125 CO 0.34 -0.14 1.70 -0.09 0.68 0.00 0.00 175.17 177.66 1ae8 h ARG 126 N 1.25 0.37 0.00 2.11 2.43 -1.97 -1.57 114.38 117.00 1ae8 h ARG 126 Ca -0.49 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.51 1ae8 h ARG 126 Cb 1.24 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1ae8 h ARG 126 CO 0.59 0.24 -0.71 1.05 -1.51 0.00 0.00 179.97 179.64 1ae8 h GLU 127 N 0.38 0.00 -0.74 0.20 9.09 -2.04 -2.09 114.58 119.39 1ae8 h GLU 127 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 1ae8 h GLU 127 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 1ae8 h GLU 127 CO -0.50 0.71 0.00 2.41 0.05 0.00 0.00 179.01 181.68 1ae8 n THR 128 N -3.36 0.11 0.00 -1.06 -1.04 -0.59 -1.67 114.28 106.67 1ae8 n THR 128 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ae8 n THR 128 Cb 0.79 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1ae8 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ae8 n ALA 129 N 0.43 0.00 0.06 2.41 0.00 -0.79 -1.49 120.51 121.13 1ae8 n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ae8 n ALA 129 Cb 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1ae8 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ae8 h SER 129 N 0.00 0.56 0.17 0.00 4.64 -1.59 -3.38 113.55 113.95 1ae8 h SER 129 Ca 0.00 -0.44 -0.33 0.00 -0.47 0.00 0.00 61.79 60.55 1ae8 h SER 129 Cb 0.00 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.86 1ae8 h SER 129 CO 0.00 1.23 -2.15 0.18 -0.87 0.00 0.00 176.83 175.22 1ae8 n LEU 129 N -3.77 0.29 -4.11 5.97 4.77 -0.56 -4.69 117.00 114.90 1ae8 n LEU 129 Ca -0.07 0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1ae8 n LEU 129 Cb 0.82 0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1ae8 n LEU 129 CO 0.51 0.45 2.37 0.18 -1.33 0.00 0.00 177.39 179.57 1ae8 n LEU 130 N -2.84 6.01 -4.06 2.23 4.77 -1.26 -4.82 117.00 117.03 1ae8 n LEU 130 Ca -0.27 -4.04 -0.19 0.00 -0.03 0.00 0.00 56.01 51.48 1ae8 n LEU 130 Cb 1.11 -1.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 1ae8 n LEU 130 CO 0.44 0.68 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.64 1ae8 s GLN 131 N 3.66 0.80 0.14 3.23 -0.21 -1.26 -4.95 119.66 121.06 1ae8 s GLN 131 Ca 0.50 -0.49 -0.33 0.00 0.02 0.00 0.00 55.36 55.06 1ae8 s GLN 131 Cb 0.10 -0.76 -0.13 0.00 1.00 0.00 0.00 33.01 33.22 1ae8 s GLN 131 CO -0.01 0.20 1.68 0.00 -2.12 0.00 0.00 175.29 175.03 1ae8 n ALA 132 N 2.48 1.73 0.00 6.09 0.00 -1.26 -1.03 120.51 128.52 1ae8 n ALA 132 Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ae8 n ALA 132 Cb 0.56 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1ae8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ae8 n GLY 133 N 3.75 2.22 3.74 0.00 0.00 -0.65 -4.97 105.19 109.28 1ae8 n GLY 133 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ae8 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ae8 s TYR 134 N -2.36 3.32 0.15 1.61 1.51 -0.20 -4.63 117.35 116.74 1ae8 s TYR 134 Ca 0.00 1.30 -0.10 0.00 -1.01 0.00 0.00 57.07 57.26 1ae8 s TYR 134 Cb 0.00 -3.54 -0.06 0.00 -0.11 0.00 0.00 41.96 38.25 1ae8 s TYR 134 CO 0.00 -1.62 0.47 0.15 -1.11 0.00 0.00 175.55 173.44 1ae8 s LYS 135 N -0.17 3.80 0.44 -0.62 1.02 -1.26 -0.56 119.74 122.38 1ae8 s LYS 135 Ca 0.55 0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.81 1ae8 s LYS 135 Cb -0.35 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 1ae8 s LYS 135 CO 0.38 0.46 0.11 0.20 -0.92 0.00 0.00 175.35 175.58 1ae8 s GLY 136 N -2.03 2.76 -0.02 -3.33 0.00 -0.10 -4.87 107.32 99.73 1ae8 s GLY 136 Ca 0.40 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.15 1ae8 s GLY 136 CO 0.20 -1.90 -0.07 -1.60 0.00 0.00 0.00 173.10 169.73 1ae8 s ARG 137 N -3.71 0.70 0.01 2.90 3.52 0.21 -1.00 118.95 121.58 1ae8 s ARG 137 Ca 0.19 -0.24 0.08 0.00 -0.13 0.00 0.00 55.73 55.63 1ae8 s ARG 137 Cb 0.02 -0.68 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 1ae8 s ARG 137 CO 0.12 0.10 -0.25 0.08 -0.81 0.00 0.00 175.30 174.54 1ae8 s VAL 138 N 0.12 2.00 0.09 7.11 1.01 -0.19 -0.71 120.40 129.83 1ae8 s VAL 138 Ca -0.01 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1ae8 s VAL 138 Cb -0.06 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1ae8 s VAL 138 CO -0.00 0.45 -0.10 0.42 0.00 0.00 0.00 175.10 175.87 1ae8 s THR 139 N -0.69 0.89 0.00 3.92 -4.23 -1.25 -2.00 115.64 112.28 1ae8 s THR 139 Ca 0.10 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1ae8 s THR 139 Cb -0.10 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1ae8 s THR 139 CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1ae8 n GLY 140 N 0.58 1.10 1.12 3.99 0.00 -1.11 -4.55 105.19 106.31 1ae8 n GLY 140 Ca -0.16 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.93 1ae8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ae8 n TRP 141 N -0.59 1.09 -1.00 1.61 8.01 -1.26 -2.11 117.44 123.18 1ae8 n TRP 141 Ca 0.00 -0.70 -0.30 0.00 -1.31 0.00 0.00 57.50 55.19 1ae8 n TRP 141 Cb 0.00 -0.25 0.24 0.00 -2.01 0.00 0.00 31.31 29.29 1ae8 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ae8 s GLY 142 N -1.32 1.56 0.69 6.99 0.00 -1.26 -4.65 107.32 109.34 1ae8 s GLY 142 Ca 0.41 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 1ae8 s GLY 142 CO 0.16 0.00 1.00 0.70 0.00 0.00 0.00 173.10 174.96 1ae8 n ASN 143 N -4.81 0.69 0.06 1.64 3.02 0.59 -2.85 115.26 113.60 1ae8 n ASN 143 Ca 0.12 0.71 0.12 0.00 -0.03 0.00 0.00 54.58 55.50 1ae8 n ASN 143 Cb 0.59 -1.42 0.27 0.00 -0.61 0.00 0.00 39.78 38.62 1ae8 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ae8 n LEU 144 N -1.53 0.67 -3.66 3.41 4.77 -0.27 -1.02 117.00 119.36 1ae8 n LEU 144 Ca 0.14 0.33 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1ae8 n LEU 144 Cb 0.49 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1ae8 n LEU 144 CO 0.49 -0.07 0.15 -0.54 -1.33 0.00 0.00 177.39 176.08 1ae8 s LYS 145 N -3.12 0.95 0.22 3.23 1.02 -1.26 -4.39 119.74 116.38 1ae8 s LYS 145 Ca 0.08 -0.46 -0.09 0.00 0.02 0.00 0.00 55.97 55.53 1ae8 s LYS 145 Cb 0.14 0.42 0.20 0.00 -0.52 0.00 0.00 37.83 38.07 1ae8 s LYS 145 CO 0.67 -0.34 1.87 1.49 -0.92 0.00 0.00 175.35 178.12 1ae8 h GLU 146 N 2.87 0.95 -1.32 1.68 4.81 -1.92 -3.39 114.58 118.26 1ae8 h GLU 146 Ca -0.32 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 1ae8 h GLU 146 Cb 1.22 -0.21 -0.24 0.00 0.63 0.00 0.00 28.75 30.14 1ae8 h GLU 146 CO 0.45 0.63 -0.48 0.99 -0.73 0.00 0.00 179.01 179.87 1ae8 s THR 147 N -6.12 -0.81 0.00 0.32 2.01 -1.26 -5.00 115.64 104.78 1ae8 s THR 147 Ca -0.13 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1ae8 s THR 147 Cb 0.16 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1ae8 s THR 147 CO 0.78 -0.15 0.00 -2.67 -0.69 0.00 0.00 174.62 171.89 1ae8 n TRP 148 N 5.05 0.00 -0.90 4.92 4.27 -1.26 -5.22 117.44 124.30 1ae8 n TRP 148 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 1ae8 n TRP 148 Cb 0.52 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1ae8 n TRP 148 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ae8 n GLY 150 N 5.00 5.56 3.03 -1.67 0.00 -1.26 -5.10 105.19 110.75 1ae8 n GLY 150 Ca 0.00 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1ae8 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ae8 s GLN 151 N 3.66 1.42 0.80 1.61 -0.21 -1.26 -1.12 119.66 124.56 1ae8 s GLN 151 Ca 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 55.36 54.88 1ae8 s GLN 151 Cb 0.00 -1.23 0.07 0.00 1.00 0.00 0.00 33.01 32.85 1ae8 s GLN 151 CO 0.00 0.09 1.11 -1.25 -2.12 0.00 0.00 175.29 173.12 1ae8 s PRO 152 N 0.42 1.98 -0.05 2.91 0.04 -1.26 -4.97 135.00 134.07 1ae8 s PRO 152 Ca -0.09 1.32 0.17 0.00 0.04 0.00 0.00 61.00 62.44 1ae8 s PRO 152 Cb -0.13 -1.85 -0.21 0.00 0.04 0.00 0.00 34.50 32.34 1ae8 s PRO 152 CO 0.02 -1.87 0.52 -1.13 0.04 0.00 0.00 177.00 174.58 1ae8 n SER 153 N -3.56 0.49 -4.27 6.66 3.41 -1.26 -4.76 113.62 110.34 1ae8 n SER 153 Ca 0.10 0.22 -0.15 0.00 -0.26 0.00 0.00 58.87 58.79 1ae8 n SER 153 Cb 0.52 0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 64.98 1ae8 n SER 153 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ae8 s VAL 154 N -2.80 0.89 0.25 -3.33 0.11 -1.26 -1.28 120.40 112.98 1ae8 s VAL 154 Ca -0.06 -2.01 -0.31 0.00 -2.93 0.00 0.00 61.98 56.67 1ae8 s VAL 154 Cb 0.08 -2.11 -0.13 0.00 -1.53 0.00 0.00 36.38 32.69 1ae8 s VAL 154 CO 0.83 -0.51 1.37 -0.11 -3.33 0.00 0.00 175.10 173.36 1ae8 n LEU 155 N -0.28 3.10 -4.82 2.54 7.94 -0.53 -4.84 117.00 120.11 1ae8 n LEU 155 Ca -0.07 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.76 1ae8 n LEU 155 Cb 0.63 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 43.10 1ae8 n LEU 155 CO 0.34 -0.53 -0.17 -1.10 -1.11 0.00 0.00 177.39 174.82 1ae8 s GLN 156 N -0.66 2.92 -0.04 1.96 -1.52 -0.90 -0.76 119.66 120.66 1ae8 s GLN 156 Ca 0.66 -1.05 -0.08 0.00 -1.95 0.00 0.00 55.36 52.94 1ae8 s GLN 156 Cb -0.64 -2.56 0.01 0.00 -0.22 0.00 0.00 33.01 29.60 1ae8 s GLN 156 CO 0.52 0.40 0.20 0.54 -0.25 0.00 0.00 175.29 176.70 1ae8 s VAL 157 N -2.12 0.04 -0.20 1.09 0.11 0.72 -2.74 120.40 117.30 1ae8 s VAL 157 Ca 0.33 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 1ae8 s VAL 157 Cb -0.08 -0.40 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1ae8 s VAL 157 CO 0.25 -0.18 0.53 0.54 -3.33 0.00 0.00 175.10 172.91 1ae8 s VAL 158 N -0.66 -0.00 -0.22 2.04 0.11 -0.85 -1.71 120.40 119.11 1ae8 s VAL 158 Ca -0.08 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.87 1ae8 s VAL 158 Cb -0.04 -0.74 -0.05 0.00 -1.53 0.00 0.00 36.38 34.01 1ae8 s VAL 158 CO 0.01 0.00 0.17 0.20 -3.33 0.00 0.00 175.10 172.15 1ae8 s ASN 159 N 0.42 6.18 0.04 3.54 0.01 -1.26 -1.02 114.94 122.84 1ae8 s ASN 159 Ca -0.01 0.19 0.05 0.00 -0.71 0.00 0.00 52.86 52.38 1ae8 s ASN 159 Cb -0.04 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1ae8 s ASN 159 CO -0.01 0.10 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.77 1ae8 s LEU 160 N 0.80 2.16 0.25 0.60 1.43 -0.17 -4.93 118.68 118.82 1ae8 s LEU 160 Ca 0.09 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1ae8 s LEU 160 Cb -0.13 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.34 1ae8 s LEU 160 CO 0.02 0.06 0.83 -2.16 0.23 0.00 0.00 176.35 175.33 1ae8 s PRO 161 N -1.10 4.48 0.35 1.29 0.04 -1.26 -0.93 135.00 137.87 1ae8 s PRO 161 Ca 0.03 1.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 1ae8 s PRO 161 Cb -0.08 -2.95 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1ae8 s PRO 161 CO 0.01 0.40 1.13 0.42 0.04 0.00 0.00 177.00 179.00 1ae8 s ILE 162 N -1.46 3.34 0.03 0.56 1.01 0.27 -1.41 121.20 123.54 1ae8 s ILE 162 Ca 0.44 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.34 1ae8 s ILE 162 Cb -0.19 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1ae8 s ILE 162 CO 0.24 0.18 -0.07 -0.69 0.00 0.00 0.00 174.94 174.60 1ae8 s VAL 163 N -1.34 3.63 0.20 2.92 1.01 -0.55 -1.64 120.40 124.63 1ae8 s VAL 163 Ca 0.52 -0.87 -0.32 0.00 0.00 0.00 0.00 61.98 61.30 1ae8 s VAL 163 Cb -0.30 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.33 1ae8 s VAL 163 CO 0.39 0.33 1.49 -0.62 0.00 0.00 0.00 175.10 176.68 1ae8 n GLU 164 N 1.34 2.08 -0.30 2.72 4.71 -1.26 -4.60 120.64 125.33 1ae8 n GLU 164 Ca -0.15 0.75 0.14 0.00 -0.01 0.00 0.00 57.16 57.89 1ae8 n GLU 164 Cb 0.52 -2.46 0.30 0.00 -1.01 0.00 0.00 31.44 28.80 1ae8 n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ae8 h ARG 165 N 4.99 0.25 -0.62 3.49 3.08 -1.98 -1.54 114.38 122.04 1ae8 h ARG 165 Ca -0.45 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.52 1ae8 h ARG 165 Cb 1.27 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 1ae8 h ARG 165 CO 0.82 0.16 0.11 -1.35 -1.07 0.00 0.00 179.97 178.64 1ae8 h PRO 166 N 0.25 0.99 -0.58 0.04 0.11 -1.99 -0.58 132.00 130.23 1ae8 h PRO 166 Ca 0.56 -0.24 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 1ae8 h PRO 166 Cb 1.13 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1ae8 h PRO 166 CO -0.62 0.91 0.01 0.28 -0.21 0.00 0.00 178.00 178.37 1ae8 h VAL 167 N 0.94 1.26 0.13 3.15 2.07 -1.68 -2.00 116.25 120.12 1ae8 h VAL 167 Ca 0.19 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1ae8 h VAL 167 Cb 0.39 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ae8 h VAL 167 CO 0.01 0.40 -0.20 0.00 0.02 0.00 0.00 177.57 177.80 1ae8 h LYS 169 N -0.40 1.17 0.00 0.00 1.57 -1.04 -2.66 116.57 115.21 1ae8 h LYS 169 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ae8 h LYS 169 Cb 0.41 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ae8 h LYS 169 CO -0.10 0.78 0.00 -0.25 -0.57 0.00 0.00 179.45 179.31 1ae8 n ASP 170 N -4.48 0.00 -0.19 0.86 8.00 -0.76 -3.11 116.55 116.88 1ae8 n ASP 170 Ca 0.15 -0.78 0.10 0.00 0.71 0.00 0.00 54.79 54.97 1ae8 n ASP 170 Cb 0.15 -0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 1ae8 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ae8 n SER 171 N -1.03 1.37 -4.06 -2.24 3.41 -1.00 -4.98 113.62 105.08 1ae8 n SER 171 Ca 0.20 -1.18 -0.10 0.00 -0.26 0.00 0.00 58.87 57.53 1ae8 n SER 171 Cb 0.10 0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 64.76 1ae8 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ae8 s THR 172 N -2.72 0.09 -2.51 6.66 -1.32 -1.18 -4.87 115.64 109.79 1ae8 s THR 172 Ca 0.12 -1.67 0.23 0.00 -1.21 0.00 0.00 61.69 59.15 1ae8 s THR 172 Cb 0.16 -1.95 0.10 0.00 -1.51 0.00 0.00 72.50 69.31 1ae8 s THR 172 CO 0.72 -0.40 1.16 0.54 -2.21 0.00 0.00 174.62 174.44 1ae8 n ARG 173 N -0.15 1.81 -2.61 7.08 1.74 -1.26 -4.94 116.66 118.34 1ae8 n ARG 173 Ca -0.06 -1.50 -0.39 0.00 -0.77 0.00 0.00 57.85 55.13 1ae8 n ARG 173 Cb 0.63 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.57 1ae8 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ae8 s ILE 174 N -2.14 3.80 -0.35 0.55 1.01 -1.26 -4.99 121.20 117.81 1ae8 s ILE 174 Ca 0.23 1.68 -0.29 0.00 0.00 0.00 0.00 60.65 62.28 1ae8 s ILE 174 Cb 0.19 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ae8 s ILE 174 CO 0.40 0.30 1.63 -0.60 0.00 0.00 0.00 174.94 176.68 1ae8 s ARG 175 N -1.66 3.47 0.31 2.79 3.52 -1.26 -5.01 118.95 121.11 1ae8 s ARG 175 Ca 0.47 1.25 -0.27 0.00 -0.13 0.00 0.00 55.73 57.06 1ae8 s ARG 175 Cb -0.26 -4.12 -0.10 0.00 -1.56 0.00 0.00 34.95 28.91 1ae8 s ARG 175 CO 0.33 -1.70 0.94 0.42 -0.81 0.00 0.00 175.30 174.49 1ae8 s ILE 176 N 6.18 4.19 0.43 4.11 -1.09 -1.26 -4.89 121.20 128.86 1ae8 s ILE 176 Ca 0.72 1.86 0.05 0.00 -2.23 0.00 0.00 60.65 61.05 1ae8 s ILE 176 Cb -0.19 -4.05 -0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1ae8 s ILE 176 CO 0.33 0.18 0.02 0.42 -1.23 0.00 0.00 174.94 174.66 1ae8 s THR 177 N -1.57 1.68 -0.51 2.92 -4.23 -1.26 -5.02 115.64 107.66 1ae8 s THR 177 Ca 0.49 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.21 1ae8 s THR 177 Cb -0.19 -2.76 0.21 0.00 1.34 0.00 0.00 72.50 71.10 1ae8 s THR 177 CO 0.25 0.00 1.63 0.47 -0.54 0.00 0.00 174.62 176.42 1ae8 n ASP 178 N -1.02 0.52 -0.73 3.99 8.00 -1.26 -2.45 116.55 123.59 1ae8 n ASP 178 Ca -0.08 0.66 0.04 0.00 0.71 0.00 0.00 54.79 56.12 1ae8 n ASP 178 Cb 0.67 -0.76 0.14 0.00 -0.02 0.00 0.00 41.12 41.15 1ae8 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ae8 n ASN 179 N -2.11 2.06 -4.09 -2.24 3.02 -1.26 -4.88 115.26 105.76 1ae8 n ASN 179 Ca 0.01 -2.13 -0.08 0.00 -0.03 0.00 0.00 54.58 52.35 1ae8 n ASN 179 Cb 0.16 -0.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 1ae8 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ae8 s MET 180 N -1.64 0.61 0.08 3.52 -1.94 -1.03 -1.35 119.30 117.55 1ae8 s MET 180 Ca 0.21 -1.12 -0.04 0.00 -1.71 0.00 0.00 55.69 53.02 1ae8 s MET 180 Cb 0.13 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 37.02 1ae8 s MET 180 CO 0.11 -0.07 0.08 -0.59 -0.01 0.00 0.00 175.02 174.54 1ae8 s PHE 181 N -3.33 0.43 0.23 -0.03 -0.12 -0.81 -4.82 117.98 109.53 1ae8 s PHE 181 Ca 0.03 -0.90 0.11 0.00 -0.05 0.00 0.00 56.93 56.12 1ae8 s PHE 181 Cb 0.04 -0.26 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 1ae8 s PHE 181 CO -0.07 -0.48 -0.20 0.00 -0.05 0.00 0.00 175.22 174.42 1ae8 s ALA 183 N -2.30 -0.96 0.00 0.00 0.00 0.13 -1.49 121.76 117.15 1ae8 s ALA 183 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1ae8 s ALA 183 Cb -0.05 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1ae8 s ALA 183 CO 0.11 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1ae8 n GLY 184 N 0.45 3.25 3.84 0.00 0.00 -0.50 -1.53 105.19 110.70 1ae8 n GLY 184 Ca -0.18 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1ae8 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ae8 s TYR 184 N -2.00 3.42 0.22 1.61 2.02 -1.26 -4.53 117.35 116.83 1ae8 s TYR 184 Ca 0.00 1.42 -0.18 0.00 -0.37 0.00 0.00 57.07 57.94 1ae8 s TYR 184 Cb 0.00 -2.81 -0.08 0.00 -0.40 0.00 0.00 41.96 38.67 1ae8 s TYR 184 CO 0.00 -0.61 0.69 0.15 -1.57 0.00 0.00 175.55 174.21 1ae8 s LYS 185 N -4.44 4.17 0.55 -0.62 -0.14 -1.26 -4.85 119.74 113.16 1ae8 s LYS 185 Ca 0.58 0.78 0.30 0.00 -1.36 0.00 0.00 55.97 56.27 1ae8 s LYS 185 Cb -0.11 -2.84 1.47 0.00 -1.68 0.00 0.00 37.83 34.67 1ae8 s LYS 185 CO 0.40 0.38 1.89 -1.00 -0.76 0.00 0.00 175.35 176.26 1ae8 h PRO 186 N 3.30 0.00 -0.06 -1.68 0.14 -1.95 0.37 132.00 132.12 1ae8 h PRO 186 Ca -0.48 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.65 1ae8 h PRO 186 Cb 1.19 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.33 1ae8 h PRO 186 CO 0.65 0.00 0.02 0.22 0.14 0.00 0.00 178.00 179.03 1ae8 h ASP 186 N 0.00 0.10 -0.17 1.44 1.82 -1.96 -3.35 116.42 114.29 1ae8 h ASP 186 Ca 0.35 -0.23 0.05 0.00 -0.39 0.00 0.00 57.03 56.81 1ae8 h ASP 186 Cb 1.53 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.51 1ae8 h ASP 186 CO -0.00 0.30 0.49 -0.33 -1.61 0.00 0.00 179.24 178.09 1ae8 h GLU 186 N -0.11 0.00 -5.80 0.28 5.08 -0.63 -3.46 114.58 109.93 1ae8 h GLU 186 Ca 0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.04 1ae8 h GLU 186 Cb 0.24 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.63 1ae8 h GLU 186 CO 0.00 0.00 -0.85 0.41 -1.00 0.00 0.00 179.01 177.57 1ae8 n GLY 186 N -1.36 -0.76 3.64 -3.84 0.00 -1.26 -5.00 105.19 96.62 1ae8 n GLY 186 Ca 0.02 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.36 1ae8 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ae8 s LYS 186 N -5.29 0.41 0.00 1.61 1.02 -1.26 -5.17 119.74 111.06 1ae8 s LYS 186 Ca 0.26 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.94 1ae8 s LYS 186 Cb -0.06 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.35 1ae8 s LYS 186 CO 0.78 -0.08 0.00 0.54 -0.92 0.00 0.00 175.35 175.67 1ae8 n ARG 187 N 3.60 1.99 0.00 1.68 1.74 -1.26 -4.60 116.66 119.81 1ae8 n ARG 187 Ca -0.18 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 1ae8 n ARG 187 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 1ae8 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ae8 n GLY 188 N 4.97 4.01 3.62 -0.13 0.00 -1.25 -4.91 105.19 111.50 1ae8 n GLY 188 Ca -0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.50 1ae8 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ae8 s ASP 189 N 0.00 -0.10 0.75 1.61 2.15 -0.84 -4.68 116.67 115.55 1ae8 s ASP 189 Ca 0.00 -0.12 -0.11 0.00 0.43 0.00 0.00 52.55 52.75 1ae8 s ASP 189 Cb 0.00 0.20 0.05 0.00 -0.30 0.00 0.00 42.92 42.87 1ae8 s ASP 189 CO 0.00 -0.35 1.12 0.00 -0.17 0.00 0.00 175.17 175.77 1ae8 s ALA 190 N -2.53 2.81 0.22 3.66 0.00 -1.26 -0.79 121.76 123.87 1ae8 s ALA 190 Ca 0.12 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1ae8 s ALA 190 Cb 0.02 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1ae8 s ALA 190 CO -0.04 -1.41 0.36 0.00 0.00 0.00 0.00 175.76 174.67 1ae8 n GLU 192 N -0.33 0.76 0.00 0.00 -0.58 -1.26 -0.82 120.64 118.41 1ae8 n GLU 192 Ca -0.02 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1ae8 n GLU 192 Cb 0.35 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1ae8 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ae8 n GLY 193 N 2.02 2.94 0.12 0.62 0.00 -1.26 -0.30 105.19 109.33 1ae8 n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1ae8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ae8 h ASP 194 N 0.00 0.00 -1.73 1.61 3.32 -1.32 -3.29 116.42 115.00 1ae8 h ASP 194 Ca 0.00 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 56.41 1ae8 h ASP 194 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 1ae8 h ASP 194 CO 0.00 0.01 -0.67 -1.20 -1.72 0.00 0.00 179.24 175.66 1ae8 n SER 195 N -2.69 -1.82 0.00 6.45 7.64 -1.26 -1.66 113.62 120.28 1ae8 n SER 195 Ca 0.01 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.81 1ae8 n SER 195 Cb 0.54 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1ae8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ae8 n GLY 196 N 2.07 2.93 3.81 0.23 0.00 -0.14 -0.41 105.19 113.68 1ae8 n GLY 196 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1ae8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ae8 s GLY 197 N -2.00 1.69 0.09 -0.02 0.00 -0.67 -3.54 107.32 102.87 1ae8 s GLY 197 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.60 1ae8 s GLY 197 CO 0.00 -0.26 0.36 2.56 0.00 0.00 0.00 173.10 175.76 1ae8 s PRO 198 N -5.67 3.68 -0.25 2.90 0.04 -1.26 -0.76 135.00 133.67 1ae8 s PRO 198 Ca 0.72 0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.77 1ae8 s PRO 198 Cb -0.07 -2.96 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1ae8 s PRO 198 CO 0.54 0.55 -0.04 0.12 0.04 0.00 0.00 177.00 178.21 1ae8 s PHE 199 N -1.46 3.07 0.30 0.56 2.19 0.29 -3.76 117.98 119.16 1ae8 s PHE 199 Ca 0.34 -1.40 0.09 0.00 0.33 0.00 0.00 56.93 56.29 1ae8 s PHE 199 Cb -0.13 -2.10 -0.06 0.00 -1.31 0.00 0.00 43.02 39.42 1ae8 s PHE 199 CO 0.20 -0.69 -0.11 0.14 1.83 0.00 0.00 175.22 176.59 1ae8 s VAL 200 N 1.37 2.03 0.02 3.12 -7.23 0.11 -1.47 120.40 118.35 1ae8 s VAL 200 Ca 0.01 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 1ae8 s VAL 200 Cb -0.16 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 1ae8 s VAL 200 CO -0.03 -0.30 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.38 1ae8 s MET 201 N -3.64 0.32 -0.28 4.82 -1.94 -0.13 -0.62 119.30 117.84 1ae8 s MET 201 Ca 0.30 -0.55 -0.10 0.00 -1.71 0.00 0.00 55.69 53.64 1ae8 s MET 201 Cb 0.01 -0.01 -0.03 0.00 2.01 0.00 0.00 34.83 36.81 1ae8 s MET 201 CO 0.14 -0.02 0.15 0.21 -0.01 0.00 0.00 175.02 175.49 1ae8 s LYS 202 N -1.24 3.71 0.12 2.03 2.20 -1.26 0.07 119.74 125.37 1ae8 s LYS 202 Ca -0.12 -0.47 -0.31 0.00 -0.36 0.00 0.00 55.97 54.71 1ae8 s LYS 202 Cb -0.08 -3.55 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1ae8 s LYS 202 CO -0.01 -0.25 1.47 0.45 -0.36 0.00 0.00 175.35 176.66 1ae8 s SER 203 N 1.68 6.73 0.00 1.43 0.15 0.09 -4.89 113.70 118.90 1ae8 s SER 203 Ca 0.06 2.42 0.30 0.00 0.70 0.00 0.00 55.95 59.43 1ae8 s SER 203 Cb -0.16 -2.58 1.39 0.00 -1.71 0.00 0.00 66.02 62.96 1ae8 s SER 203 CO 0.08 -0.74 2.00 -0.81 1.20 0.00 0.00 173.24 174.97 1ae8 n PRO 204 N 4.20 0.23 -0.04 5.44 -0.04 -1.26 -0.97 135.00 142.56 1ae8 n PRO 204 Ca 0.13 -0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.40 1ae8 n PRO 204 Cb 0.41 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 1ae8 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ae8 h PHE 204 N 0.00 0.19 0.00 0.54 0.04 -1.97 -3.42 116.94 112.33 1ae8 h PHE 204 Ca 0.00 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1ae8 h PHE 204 Cb 0.38 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1ae8 h PHE 204 CO 0.00 1.32 0.00 0.27 -0.60 0.00 0.00 178.31 179.30 1ae8 n ASN 204 N -4.31 0.97 0.00 2.17 2.04 -1.24 -5.02 115.26 109.87 1ae8 n ASN 204 Ca -0.20 -1.22 0.00 0.00 -0.44 0.00 0.00 54.58 52.72 1ae8 n ASN 204 Cb 0.69 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 1ae8 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ae8 n ASN 205 N -0.11 -3.87 -4.89 0.53 4.13 -0.14 -5.01 115.26 105.90 1ae8 n ASN 205 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 1ae8 n ASN 205 Cb 0.13 -1.61 -0.04 0.00 -1.54 0.00 0.00 39.78 36.72 1ae8 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ae8 s ARG 206 N -0.75 3.69 -0.08 3.52 0.52 -1.25 -4.78 118.95 119.82 1ae8 s ARG 206 Ca 0.00 0.08 -0.20 0.00 -0.52 0.00 0.00 55.73 55.09 1ae8 s ARG 206 Cb 0.00 -2.70 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 1ae8 s ARG 206 CO 0.00 0.32 0.57 -1.58 0.02 0.00 0.00 175.30 174.63 1ae8 s TRP 207 N -1.87 3.56 -0.03 -0.53 0.52 -1.26 -0.73 118.94 118.61 1ae8 s TRP 207 Ca 0.44 1.06 0.07 0.00 0.02 0.00 0.00 56.10 57.69 1ae8 s TRP 207 Cb -0.11 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1ae8 s TRP 207 CO 0.25 0.18 -0.24 0.71 0.02 0.00 0.00 176.95 177.88 1ae8 s TYR 208 N 0.52 2.41 -0.51 -1.98 2.02 0.11 -2.46 117.35 117.46 1ae8 s TYR 208 Ca 0.30 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 1ae8 s TYR 208 Cb -0.16 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1ae8 s TYR 208 CO 0.14 -0.00 0.80 -1.14 -1.57 0.00 0.00 175.55 173.78 1ae8 s GLN 209 N -0.61 3.28 -0.02 -0.62 0.74 -0.26 -0.95 119.66 121.22 1ae8 s GLN 209 Ca 0.09 -0.43 0.02 0.00 0.05 0.00 0.00 55.36 55.09 1ae8 s GLN 209 Cb -0.10 -4.04 -0.25 0.00 1.10 0.00 0.00 33.01 29.71 1ae8 s GLN 209 CO -0.00 -1.32 0.77 0.52 -0.55 0.00 0.00 175.29 174.71 1ae8 h MET 210 N 9.13 0.15 -4.58 1.67 2.86 -1.59 -3.39 114.93 119.17 1ae8 h MET 210 Ca -0.26 -0.26 -0.23 0.00 -2.06 0.00 0.00 59.70 56.90 1ae8 h MET 210 Cb 1.08 0.10 -0.15 0.00 0.06 0.00 0.00 31.60 32.69 1ae8 h MET 210 CO 1.02 0.93 -0.66 0.20 1.06 0.00 0.00 176.91 179.46 1ae8 s GLY 211 N -5.07 1.04 -0.07 8.32 0.00 -1.00 -1.94 107.32 108.60 1ae8 s GLY 211 Ca -0.09 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.19 1ae8 s GLY 211 CO 0.83 -1.44 -0.24 -0.42 0.00 0.00 0.00 173.10 171.83 1ae8 s ILE 212 N -3.85 2.13 -0.13 0.90 1.01 -1.00 -0.55 121.20 119.71 1ae8 s ILE 212 Ca 0.22 -1.03 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 1ae8 s ILE 212 Cb 0.07 -1.78 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 1ae8 s ILE 212 CO 0.01 0.57 2.13 0.52 0.00 0.00 0.00 174.94 178.17 1ae8 n VAL 213 N 3.07 0.49 -0.00 2.92 0.31 0.06 -0.82 118.33 124.37 1ae8 n VAL 213 Ca -0.18 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 63.79 1ae8 n VAL 213 Cb 0.52 -2.43 -0.01 0.00 -0.91 0.00 0.00 33.84 31.02 1ae8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ae8 n SER 214 N 10.04 1.07 -3.77 4.52 2.88 -0.84 -0.96 113.62 126.55 1ae8 n SER 214 Ca 0.27 0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.87 1ae8 n SER 214 Cb 0.42 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ae8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ae8 s TRP 215 N -2.00 -0.04 -0.26 0.66 1.48 -0.95 -4.92 118.94 112.91 1ae8 s TRP 215 Ca -0.09 -0.30 -0.29 0.00 -1.06 0.00 0.00 56.10 54.36 1ae8 s TRP 215 Cb 0.01 0.30 0.18 0.00 -1.16 0.00 0.00 33.47 32.80 1ae8 s TRP 215 CO 0.13 -0.86 1.30 0.20 -4.06 0.00 0.00 176.95 173.65 1ae8 s GLY 216 N -2.88 0.04 -0.71 3.67 0.00 -1.26 -0.30 107.32 105.88 1ae8 s GLY 216 Ca 0.10 2.74 -0.20 0.00 0.00 0.00 0.00 44.72 47.36 1ae8 s GLY 216 CO -0.03 1.16 0.91 -0.54 0.00 0.00 0.00 173.10 174.60 1ae8 s GLU 217 N -0.95 3.23 1.80 2.90 2.02 -1.26 -4.86 118.70 121.57 1ae8 s GLU 217 Ca 0.07 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1ae8 s GLU 217 Cb -0.01 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.80 1ae8 s GLU 217 CO -0.07 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 173.93 1ae8 n GLY 219 N 5.30 -1.34 2.95 -1.39 0.00 -1.26 -4.69 105.19 104.76 1ae8 n GLY 219 Ca 0.02 -1.26 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 1ae8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ae8 n ASP 221 N 4.28 -6.11 -4.77 0.00 2.03 -1.26 -4.67 116.55 106.05 1ae8 n ASP 221 Ca -0.19 -0.35 -0.38 0.00 0.52 0.00 0.00 54.79 54.38 1ae8 n ASP 221 Cb 0.51 -4.91 -0.06 0.00 -0.72 0.00 0.00 41.12 35.94 1ae8 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ae8 s ARG 221 N -5.86 4.71 0.18 -0.67 0.52 -1.26 -4.93 118.95 111.64 1ae8 s ARG 221 Ca 0.37 1.39 -0.31 0.00 -0.52 0.00 0.00 55.73 56.67 1ae8 s ARG 221 Cb -0.17 -3.04 -0.09 0.00 0.52 0.00 0.00 34.95 32.17 1ae8 s ARG 221 CO 0.46 0.41 1.43 -0.51 0.02 0.00 0.00 175.30 177.11 1ae8 s ASP 222 N -1.39 6.73 0.00 0.23 1.11 -1.26 -2.04 116.67 120.04 1ae8 s ASP 222 Ca 0.45 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.70 1ae8 s ASP 222 Cb -0.22 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.16 1ae8 s ASP 222 CO 0.28 -0.69 0.00 0.61 1.18 0.00 0.00 175.17 176.55 1ae8 n GLY 223 N 2.96 1.31 3.69 0.21 0.00 -1.26 -5.02 105.19 107.08 1ae8 n GLY 223 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1ae8 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ae8 s LYS 224 N -0.15 2.44 0.24 1.61 -0.14 -0.87 -4.80 119.74 118.08 1ae8 s LYS 224 Ca 0.00 -1.36 0.01 0.00 -1.36 0.00 0.00 55.97 53.27 1ae8 s LYS 224 Cb 0.00 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 1ae8 s LYS 224 CO 0.00 0.34 0.08 0.71 -0.76 0.00 0.00 175.35 175.72 1ae8 s TYR 225 N -2.30 1.46 0.01 3.18 2.02 -1.26 -4.72 117.35 115.75 1ae8 s TYR 225 Ca 0.33 -1.15 -0.10 0.00 -0.37 0.00 0.00 57.07 55.77 1ae8 s TYR 225 Cb -0.06 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1ae8 s TYR 225 CO 0.21 -0.32 0.34 0.20 -1.57 0.00 0.00 175.55 174.42 1ae8 s GLY 226 N -3.28 2.35 -0.10 0.71 0.00 -0.58 -4.53 107.32 101.88 1ae8 s GLY 226 Ca 0.35 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 1ae8 s GLY 226 CO 0.12 -0.13 0.01 -1.36 0.00 0.00 0.00 173.10 171.73 1ae8 s PHE 227 N -1.22 3.17 0.04 1.90 0.40 0.59 -0.69 117.98 122.17 1ae8 s PHE 227 Ca 0.26 0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.79 1ae8 s PHE 227 Cb -0.14 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 1ae8 s PHE 227 CO 0.14 0.40 -0.16 0.71 0.70 0.00 0.00 175.22 177.01 1ae8 s TYR 228 N -0.65 1.37 0.22 0.36 1.51 0.58 -2.00 117.35 118.74 1ae8 s TYR 228 Ca 0.11 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1ae8 s TYR 228 Cb -0.12 -0.81 -0.09 0.00 -0.11 0.00 0.00 41.96 40.83 1ae8 s TYR 228 CO 0.02 0.05 1.35 0.99 -1.11 0.00 0.00 175.55 176.85 1ae8 s THR 229 N -0.85 3.01 -0.99 -0.71 2.01 0.00 -1.92 115.64 116.19 1ae8 s THR 229 Ca 0.03 0.85 -0.21 0.00 0.31 0.00 0.00 61.69 62.66 1ae8 s THR 229 Cb -0.08 -3.54 0.08 0.00 0.01 0.00 0.00 72.50 68.97 1ae8 s THR 229 CO 0.01 0.14 1.33 -2.28 -0.69 0.00 0.00 174.62 173.12 1ae8 s HIS 230 N -0.03 2.78 0.16 4.92 2.46 -0.46 -2.38 115.29 122.75 1ae8 s HIS 230 Ca 0.57 -1.08 -0.16 0.00 0.47 0.00 0.00 55.06 54.86 1ae8 s HIS 230 Cb -0.38 -4.53 0.10 0.00 -0.13 0.00 0.00 32.58 27.64 1ae8 s HIS 230 CO 0.41 -1.75 1.72 0.28 -2.47 0.00 0.00 174.74 172.92 1ae8 h VAL 231 N 6.38 0.77 -0.73 0.89 2.07 -1.70 -2.14 116.25 121.78 1ae8 h VAL 231 Ca 0.19 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.73 1ae8 h VAL 231 Cb 1.01 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1ae8 h VAL 231 CO 1.30 0.03 0.40 0.15 0.02 0.00 0.00 177.57 179.47 1ae8 h PHE 232 N 0.17 0.73 0.00 1.57 3.57 -1.87 0.15 116.94 121.27 1ae8 h PHE 232 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1ae8 h PHE 232 Cb 0.24 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ae8 h PHE 232 CO -0.22 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.18 1ae8 h ARG 233 N 0.71 0.00 -0.15 1.11 2.47 -1.77 -0.82 114.38 115.93 1ae8 h ARG 233 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 1ae8 h ARG 233 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1ae8 h ARG 233 CO -0.22 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.59 1ae8 n LEU 234 N -2.63 2.33 -0.29 3.04 4.77 -0.06 -4.69 117.00 119.48 1ae8 n LEU 234 Ca -0.02 -1.44 0.07 0.00 -0.03 0.00 0.00 56.01 54.59 1ae8 n LEU 234 Cb 0.08 -0.10 0.22 0.00 -2.33 0.00 0.00 43.42 41.29 1ae8 n LEU 234 CO 0.15 0.52 1.08 0.50 -1.33 0.00 0.00 177.39 178.32 1ae8 h LYS 235 N 2.02 0.56 -0.69 3.23 3.64 -0.11 -0.91 116.57 124.32 1ae8 h LYS 235 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ae8 h LYS 235 Cb 0.57 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1ae8 h LYS 235 CO 0.00 0.37 0.38 0.87 -2.27 0.00 0.00 179.45 178.80 1ae8 h LYS 236 N 0.58 0.95 -0.54 1.90 1.79 -1.84 -0.01 116.57 119.41 1ae8 h LYS 236 Ca 0.46 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.73 1ae8 h LYS 236 Cb 0.66 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1ae8 h LYS 236 CO -0.38 0.70 -0.03 2.35 -1.08 0.00 0.00 179.45 181.02 1ae8 h TRP 237 N 0.96 1.03 0.29 -1.35 7.01 -1.53 -2.11 115.95 120.25 1ae8 h TRP 237 Ca 0.24 -0.17 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1ae8 h TRP 237 Cb 0.02 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 1ae8 h TRP 237 CO 0.01 0.93 -0.33 0.82 -2.79 0.00 0.00 178.44 177.07 1ae8 h ILE 238 N 0.87 0.30 -0.48 2.65 2.04 -0.58 -1.46 117.51 120.86 1ae8 h ILE 238 Ca 0.15 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.11 1ae8 h ILE 238 Cb 0.54 0.30 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1ae8 h ILE 238 CO 0.03 0.00 -0.07 1.56 0.00 0.00 0.00 178.15 179.67 1ae8 h GLN 239 N -0.67 0.04 -0.43 2.37 4.20 -1.13 0.20 115.11 119.70 1ae8 h GLN 239 Ca -0.01 -0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.78 1ae8 h GLN 239 Cb 0.62 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.31 1ae8 h GLN 239 CO -0.09 0.03 -0.09 -0.22 -0.67 0.00 0.00 178.83 177.79 1ae8 h LYS 240 N 0.04 0.02 -0.22 1.46 3.64 -1.13 0.26 116.57 120.64 1ae8 h LYS 240 Ca 0.23 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1ae8 h LYS 240 Cb 0.36 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1ae8 h LYS 240 CO -0.45 0.01 -0.22 -0.24 -2.27 0.00 0.00 179.45 176.28 1ae8 h VAL 241 N 0.02 1.32 -0.82 2.00 3.04 0.05 -1.05 116.25 120.82 1ae8 h VAL 241 Ca 0.21 -1.38 -0.03 0.00 -1.01 0.00 0.00 66.70 64.48 1ae8 h VAL 241 Cb 0.31 1.73 -0.04 0.00 -2.01 0.00 0.00 31.29 31.29 1ae8 h VAL 241 CO -0.43 0.43 0.39 0.40 -1.01 0.00 0.00 177.57 177.35 1ae8 h ILE 242 N 0.22 1.25 -0.03 3.17 2.04 -0.77 -1.58 117.51 121.81 1ae8 h ILE 242 Ca 0.03 -0.72 -0.19 0.00 1.00 0.00 0.00 64.86 64.98 1ae8 h ILE 242 Cb 0.77 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1ae8 h ILE 242 CO 0.05 0.31 -0.82 -2.24 0.00 0.00 0.00 178.15 175.45 1ae8 h ASP 243 N 1.16 0.39 0.87 1.72 3.04 -0.39 -0.10 116.42 123.11 1ae8 h ASP 243 Ca 0.28 -0.28 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ae8 h ASP 243 Cb 0.12 -0.12 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1ae8 h ASP 243 CO -0.03 1.05 -0.06 1.67 -2.04 0.00 0.00 179.24 179.82 1ae8 n GLN 244 N -3.76 0.07 0.00 4.15 7.27 -0.41 -4.26 117.38 120.46 1ae8 n GLN 244 Ca -0.04 -0.01 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1ae8 n GLN 244 Cb 0.76 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.91 1ae8 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ae8 n PHE 245 N -1.45 0.00 0.00 3.69 3.72 -0.61 -5.07 117.46 117.74 1ae8 n PHE 245 Ca 0.08 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1ae8 n PHE 245 Cb 0.33 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1ae8 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ae8 n GLY 246 N -0.03 0.18 0.71 1.37 0.00 -0.06 -5.01 105.19 102.35 1ae8 n GLY 246 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ae8 n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11