#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sg8 s VAL 17 N 0.00 4.89 -1.33 1.39 1.01 0.54 -4.11 120.40 122.78 1sg8 s VAL 17 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1sg8 s VAL 17 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.19 1sg8 s VAL 17 CO 0.00 0.47 1.16 -0.62 0.00 0.00 0.00 175.10 176.11 1sg8 n GLU 18 N 3.38 -7.77 -0.48 2.72 -0.58 -1.26 -2.36 120.64 114.29 1sg8 n GLU 18 Ca -0.17 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 1sg8 n GLU 18 Cb 0.52 -5.84 0.00 0.00 -0.57 0.00 0.00 31.44 25.55 1sg8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sg8 n GLY 19 N -1.91 3.40 3.32 0.62 0.00 -1.26 -4.70 105.19 104.66 1sg8 n GLY 19 Ca -0.02 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1sg8 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sg8 s SER 20 N -0.59 -0.08 0.33 1.61 1.04 -0.67 -4.92 113.70 110.42 1sg8 s SER 20 Ca 0.00 -0.56 -0.29 0.00 0.48 0.00 0.00 55.95 55.59 1sg8 s SER 20 Cb 0.00 0.45 -0.12 0.00 0.10 0.00 0.00 66.02 66.44 1sg8 s SER 20 CO 0.00 -0.86 1.33 0.47 0.98 0.00 0.00 173.24 175.16 1sg8 n ASP 21 N -0.20 2.88 -4.80 7.02 8.00 -1.26 -0.89 116.55 127.30 1sg8 n ASP 21 Ca -0.13 1.20 -0.35 0.00 0.71 0.00 0.00 54.79 56.22 1sg8 n ASP 21 Cb 0.63 -1.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.17 1sg8 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sg8 s ALA 22 N -0.91 3.14 0.32 2.24 0.00 -0.29 -4.72 121.76 121.54 1sg8 s ALA 22 Ca 0.57 0.44 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1sg8 s ALA 22 Cb -0.57 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 1sg8 s ALA 22 CO 0.60 0.16 0.85 -1.21 0.00 0.00 0.00 175.76 176.16 1sg8 s GLU 23 N -2.61 4.30 0.19 0.00 2.02 -1.26 -4.89 118.70 116.45 1sg8 s GLU 23 Ca 0.56 1.03 -0.33 0.00 0.02 0.00 0.00 54.97 56.25 1sg8 s GLU 23 Cb -0.14 -2.60 -0.14 0.00 0.10 0.00 0.00 34.13 31.35 1sg8 s GLU 23 CO 0.18 0.21 1.38 -0.89 0.02 0.00 0.00 175.26 176.16 1sg8 n ILE 24 N 0.13 0.61 -0.83 -1.63 -0.00 -1.26 -0.76 119.36 115.62 1sg8 n ILE 24 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.62 1sg8 n ILE 24 Cb 0.52 -1.26 0.00 0.00 -0.00 0.00 0.00 39.64 38.90 1sg8 n ILE 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1sg8 n GLY 25 N 2.44 0.52 0.26 7.39 0.00 -1.26 -4.86 105.19 109.68 1sg8 n GLY 25 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1sg8 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1sg8 h MET 26 N 1.50 0.00 -1.63 1.61 -1.53 -1.33 -3.29 114.93 110.27 1sg8 h MET 26 Ca 0.00 0.00 -0.46 0.00 -3.44 0.00 0.00 59.70 55.80 1sg8 h MET 26 Cb 0.08 0.00 -0.35 0.00 -0.55 0.00 0.00 31.60 30.78 1sg8 h MET 26 CO 0.00 0.00 -1.04 0.45 0.14 0.00 0.00 176.91 176.46 1sg8 n SER 27 N -2.87 0.01 0.00 1.39 2.88 -1.26 -5.00 113.62 108.77 1sg8 n SER 27 Ca -0.00 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1sg8 n SER 27 Cb 0.21 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1sg8 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sg8 n PRO 28 N 0.71 0.00 -0.08 -1.46 -0.04 -1.24 -1.25 135.00 131.64 1sg8 n PRO 28 Ca 0.20 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1sg8 n PRO 28 Cb 0.63 -1.55 0.12 0.00 -0.04 0.00 0.00 33.50 32.66 1sg8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1sg8 n TRP 29 N -1.36 0.22 -2.10 0.54 2.14 -1.11 -1.14 117.44 114.64 1sg8 n TRP 29 Ca 0.00 -0.15 -0.42 0.00 2.07 0.00 0.00 57.50 59.01 1sg8 n TRP 29 Cb 0.05 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 1sg8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1sg8 s GLN 30 N -1.34 4.30 0.06 -2.67 2.00 -0.38 -0.78 119.66 120.85 1sg8 s GLN 30 Ca 0.26 2.18 0.07 0.00 -2.00 0.00 0.00 55.36 55.86 1sg8 s GLN 30 Cb 0.16 -3.18 -0.03 0.00 0.80 0.00 0.00 33.01 30.76 1sg8 s GLN 30 CO 0.23 -0.42 -0.18 0.08 -0.50 0.00 0.00 175.29 174.50 1sg8 s VAL 31 N 0.59 1.49 -0.18 1.34 1.01 0.12 -3.95 120.40 120.81 1sg8 s VAL 31 Ca 0.62 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1sg8 s VAL 31 Cb -0.39 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1sg8 s VAL 31 CO 0.36 0.05 -0.05 -0.32 0.00 0.00 0.00 175.10 175.13 1sg8 s MET 32 N -1.40 3.47 -0.36 2.72 1.75 0.08 -0.79 119.30 124.77 1sg8 s MET 32 Ca 0.05 -0.60 -0.18 0.00 -1.25 0.00 0.00 55.69 53.71 1sg8 s MET 32 Cb -0.09 -2.92 -0.00 0.00 2.84 0.00 0.00 34.83 34.66 1sg8 s MET 32 CO 0.02 0.01 0.51 -1.17 -0.65 0.00 0.00 175.02 173.74 1sg8 s LEU 33 N 0.93 4.40 -0.09 4.11 0.20 -0.58 -1.03 118.68 126.62 1sg8 s LEU 33 Ca -0.01 -0.11 -0.01 0.00 0.69 0.00 0.00 54.13 54.70 1sg8 s LEU 33 Cb -0.15 -2.56 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 1sg8 s LEU 33 CO 0.01 -0.50 -0.06 0.12 -0.29 0.00 0.00 176.35 175.63 1sg8 s PHE 34 N 2.37 2.97 -0.06 5.38 5.36 -0.22 -0.99 117.98 132.79 1sg8 s PHE 34 Ca 0.18 -0.07 -0.19 0.00 -0.96 0.00 0.00 56.93 55.89 1sg8 s PHE 34 Cb -0.16 -1.78 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 1sg8 s PHE 34 CO 0.14 0.23 0.53 0.50 -1.46 0.00 0.00 175.22 175.16 1sg8 s ARG 35 N -0.48 4.30 -0.02 10.12 3.52 0.18 -0.50 118.95 136.06 1sg8 s ARG 35 Ca 0.07 0.59 -0.26 0.00 -0.13 0.00 0.00 55.73 56.00 1sg8 s ARG 35 Cb -0.12 -3.38 -0.20 0.00 -1.56 0.00 0.00 34.95 29.69 1sg8 s ARG 35 CO 0.02 0.28 1.28 0.87 -0.81 0.00 0.00 175.30 176.94 1sg8 h LYS 36 N 6.13 0.00 -3.17 5.12 1.57 -1.64 -2.13 116.57 122.45 1sg8 h LYS 36 Ca -0.44 -0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.91 1sg8 h LYS 36 Cb 1.19 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.10 1sg8 h LYS 36 CO 0.72 0.48 -0.75 0.45 -0.57 0.00 0.00 179.45 179.78 1sg8 s SER 36 N -5.68 2.01 0.56 0.86 0.15 -1.26 -2.36 113.70 107.98 1sg8 s SER 36 Ca -0.16 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 55.91 1sg8 s SER 36 Cb 0.02 -0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 1sg8 s SER 36 CO 0.67 -0.32 1.06 -2.84 1.20 0.00 0.00 173.24 173.02 1sg8 s PRO 37 N 2.13 3.46 -0.09 5.44 0.02 -1.26 -5.03 135.00 139.67 1sg8 s PRO 37 Ca 0.03 1.29 -0.29 0.00 0.02 0.00 0.00 61.00 62.04 1sg8 s PRO 37 Cb -0.15 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.25 1sg8 s PRO 37 CO -0.07 -0.70 2.10 1.04 -0.33 0.00 0.00 177.00 179.03 1sg8 n GLN 38 N -1.64 2.43 -3.65 5.54 6.02 -0.99 -4.63 117.38 120.45 1sg8 n GLN 38 Ca 0.09 0.80 -0.15 0.00 -0.01 0.00 0.00 57.00 57.74 1sg8 n GLN 38 Cb 0.53 -3.11 -0.08 0.00 1.02 0.00 0.00 30.24 28.59 1sg8 n GLN 38 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1sg8 s GLU 39 N 5.38 0.78 -0.34 -1.09 2.12 -0.80 -4.97 118.70 119.77 1sg8 s GLU 39 Ca 0.95 0.39 -0.28 0.00 0.36 0.00 0.00 54.97 56.39 1sg8 s GLU 39 Cb -0.39 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.38 1sg8 s GLU 39 CO 0.39 -0.18 1.04 -1.17 -0.54 0.00 0.00 175.26 174.80 1sg8 s LEU 40 N -0.53 3.93 -0.12 2.70 0.20 -1.26 0.48 118.68 124.07 1sg8 s LEU 40 Ca -0.06 0.90 -0.07 0.00 0.69 0.00 0.00 54.13 55.58 1sg8 s LEU 40 Cb -0.03 -3.46 -0.02 0.00 -0.43 0.00 0.00 46.19 42.24 1sg8 s LEU 40 CO 0.04 -0.89 -0.14 -0.07 -0.29 0.00 0.00 176.35 175.01 1sg8 h LEU 41 N 10.14 0.00 0.00 -0.68 3.38 -1.41 -3.48 115.31 123.25 1sg8 h LEU 41 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1sg8 h LEU 41 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1sg8 h LEU 41 CO 1.02 0.64 0.00 0.00 0.09 0.00 0.00 178.44 180.20 1sg8 s GLY 43 N -0.88 1.98 0.18 0.00 0.00 0.62 -1.53 107.32 107.69 1sg8 s GLY 43 Ca 0.00 -1.84 -0.23 0.00 0.00 0.00 0.00 44.72 42.65 1sg8 s GLY 43 CO 0.00 -1.74 0.98 0.00 0.00 0.00 0.00 173.10 172.34 1sg8 s ALA 44 N -2.43 -1.56 -0.00 3.20 0.00 0.03 -3.34 121.76 117.65 1sg8 s ALA 44 Ca 0.39 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.24 1sg8 s ALA 44 Cb -0.02 0.69 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 1sg8 s ALA 44 CO 0.24 -1.05 -0.06 -1.54 0.00 0.00 0.00 175.76 173.35 1sg8 s SER 45 N -3.15 0.72 -0.38 0.00 1.04 0.61 0.11 113.70 112.65 1sg8 s SER 45 Ca 0.17 -0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.23 1sg8 s SER 45 Cb -0.02 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1sg8 s SER 45 CO 0.04 0.08 0.92 -0.22 0.98 0.00 0.00 173.24 175.04 1sg8 s LEU 46 N -0.14 4.00 -0.02 2.42 1.98 0.04 -0.36 118.68 126.60 1sg8 s LEU 46 Ca 0.02 0.50 0.12 0.00 -2.89 0.00 0.00 54.13 51.89 1sg8 s LEU 46 Cb -0.02 -3.25 -0.19 0.00 0.66 0.00 0.00 46.19 43.39 1sg8 s LEU 46 CO -0.00 -0.88 0.28 2.30 -1.89 0.00 0.00 176.35 176.15 1sg8 n ILE 47 N 6.04 0.00 -4.15 6.68 -5.35 -0.69 -1.68 119.36 120.21 1sg8 n ILE 47 Ca 0.07 -0.28 -0.16 0.00 -0.27 0.00 0.00 62.75 62.11 1sg8 n ILE 47 Cb 0.48 0.25 -0.06 0.00 -1.74 0.00 0.00 39.64 38.57 1sg8 n ILE 47 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1sg8 s SER 48 N -3.37 1.12 0.14 7.28 0.15 -1.04 -4.65 113.70 113.34 1sg8 s SER 48 Ca -0.04 -1.56 0.24 0.00 0.70 0.00 0.00 55.95 55.28 1sg8 s SER 48 Cb 0.08 0.62 0.92 0.00 -1.71 0.00 0.00 66.02 65.92 1sg8 s SER 48 CO 0.51 -1.21 1.73 -0.90 1.20 0.00 0.00 173.24 174.58 1sg8 n ASP 49 N -1.40 0.46 0.00 5.45 5.75 -1.26 -3.58 116.55 121.97 1sg8 n ASP 49 Ca 0.03 0.57 0.00 0.00 -0.01 0.00 0.00 54.79 55.38 1sg8 n ASP 49 Cb 0.62 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1sg8 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sg8 n ARG 50 N -1.96 -0.41 -5.13 0.11 1.74 -1.26 0.58 116.66 110.33 1sg8 n ARG 50 Ca 0.04 -0.23 -0.31 0.00 -0.77 0.00 0.00 57.85 56.59 1sg8 n ARG 50 Cb 0.31 -0.72 -0.17 0.00 -1.02 0.00 0.00 32.46 30.86 1sg8 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1sg8 s TRP 51 N -0.01 2.33 -0.09 -1.55 0.52 -1.23 -0.92 118.94 117.99 1sg8 s TRP 51 Ca 0.00 -0.87 0.03 0.00 0.02 0.00 0.00 56.10 55.29 1sg8 s TRP 51 Cb 0.00 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1sg8 s TRP 51 CO 0.00 -0.33 -0.21 0.08 0.02 0.00 0.00 176.95 176.51 1sg8 s VAL 52 N 0.23 1.83 -0.07 4.03 1.01 -0.93 -1.71 120.40 124.78 1sg8 s VAL 52 Ca -0.13 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.92 1sg8 s VAL 52 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1sg8 s VAL 52 CO 0.07 0.51 0.14 -0.22 0.00 0.00 0.00 175.10 175.59 1sg8 s LEU 53 N 0.46 4.29 0.00 3.92 2.96 0.51 -1.76 118.68 129.06 1sg8 s LEU 53 Ca -0.17 0.38 -0.10 0.00 -0.22 0.00 0.00 54.13 54.02 1sg8 s LEU 53 Cb -0.17 -2.25 0.04 0.00 0.50 0.00 0.00 46.19 44.31 1sg8 s LEU 53 CO 0.07 0.35 0.54 1.07 -1.32 0.00 0.00 176.35 177.06 1sg8 n THR 54 N 1.58 0.00 -3.15 3.68 5.66 -0.67 -0.28 114.28 121.10 1sg8 n THR 54 Ca -0.16 -0.66 -0.39 0.00 -3.05 0.00 0.00 64.05 59.79 1sg8 n THR 54 Cb 0.54 0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 69.93 1sg8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sg8 s ALA 55 N -1.73 3.50 0.32 1.79 0.00 -1.26 -0.45 121.76 123.94 1sg8 s ALA 55 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1sg8 s ALA 55 Cb -0.03 -2.78 0.54 0.00 0.00 0.00 0.00 23.12 20.84 1sg8 s ALA 55 CO 0.08 0.27 1.99 0.00 0.00 0.00 0.00 175.76 178.10 1sg8 h ALA 56 N 4.92 1.48 0.00 0.00 0.00 -1.70 -1.49 119.26 122.47 1sg8 h ALA 56 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sg8 h ALA 56 Cb 1.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1sg8 h ALA 56 CO 0.67 0.48 0.00 -2.39 0.00 0.00 0.00 179.25 178.01 1sg8 n HIS 57 N -4.42 0.64 0.10 0.00 1.44 -1.26 -1.05 115.22 110.66 1sg8 n HIS 57 Ca 0.08 0.29 -0.04 0.00 -2.01 0.00 0.00 57.72 56.04 1sg8 n HIS 57 Cb 0.03 -0.97 0.10 0.00 0.12 0.00 0.00 29.99 29.27 1sg8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sg8 n LEU 59 N -3.78 0.00 -3.46 0.00 4.77 -0.54 -4.90 117.00 109.09 1sg8 n LEU 59 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1sg8 n LEU 59 Cb 0.67 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.82 1sg8 n LEU 59 CO 0.44 0.18 -0.19 -0.22 -1.33 0.00 0.00 177.39 176.27 1sg8 s LEU 60 N -4.84 -0.16 0.20 2.23 2.96 -0.22 -2.14 118.68 116.72 1sg8 s LEU 60 Ca -0.09 -0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 1sg8 s LEU 60 Cb 0.11 0.45 0.01 0.00 0.50 0.00 0.00 46.19 47.26 1sg8 s LEU 60 CO 0.86 -0.34 0.48 -0.47 -1.32 0.00 0.00 176.35 175.56 1sg8 s TYR 60 N 2.34 0.06 0.00 5.38 5.04 -0.57 -4.25 117.35 125.36 1sg8 s TYR 60 Ca 0.08 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1sg8 s TYR 60 Cb -0.15 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1sg8 s TYR 60 CO -0.18 -0.92 0.00 -2.30 -1.34 0.00 0.00 175.55 170.81 1sg8 n PRO 60 N -0.33 0.00 -0.77 4.97 -0.02 -1.26 -1.62 135.00 135.97 1sg8 n PRO 60 Ca -0.07 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.48 1sg8 n PRO 60 Cb 0.62 0.00 0.37 0.00 -0.02 0.00 0.00 33.50 34.48 1sg8 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1sg8 n TRP 60 N 0.00 1.79 -3.53 6.00 8.01 -1.26 -4.96 117.44 123.49 1sg8 n TRP 60 Ca 0.00 -0.72 -0.25 0.00 -1.31 0.00 0.00 57.50 55.23 1sg8 n TRP 60 Cb 0.00 -0.42 0.06 0.00 -2.01 0.00 0.00 31.31 28.94 1sg8 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1sg8 n ASP 60 N 0.60 -6.09 -4.63 -0.99 9.92 -1.04 -5.00 116.55 109.31 1sg8 n ASP 60 Ca 0.26 -0.52 -0.35 0.00 -0.53 0.00 0.00 54.79 53.66 1sg8 n ASP 60 Cb 1.08 -4.82 -0.10 0.00 -0.64 0.00 0.00 41.12 36.64 1sg8 n ASP 60 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1sg8 s LYS 60 N -6.24 3.69 -0.40 -1.24 1.02 -0.64 -4.97 119.74 110.97 1sg8 s LYS 60 Ca 0.54 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 56.19 1sg8 s LYS 60 Cb -0.24 -3.07 0.29 0.00 -0.52 0.00 0.00 37.83 34.28 1sg8 s LYS 60 CO 0.67 0.39 1.16 -1.71 -0.92 0.00 0.00 175.35 174.94 1sg8 n ASN 60 N 3.15 -1.91 -4.79 2.83 2.85 -1.22 -1.51 115.26 114.66 1sg8 n ASN 60 Ca -0.17 -2.58 -0.36 0.00 -0.11 0.00 0.00 54.58 51.36 1sg8 n ASN 60 Cb 0.53 1.35 -0.05 0.00 1.24 0.00 0.00 39.78 42.85 1sg8 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1sg8 s PHE 60 N 0.28 3.33 0.32 1.20 0.08 -0.91 -5.04 117.98 117.24 1sg8 s PHE 60 Ca 0.26 1.66 0.07 0.00 0.12 0.00 0.00 56.93 59.04 1sg8 s PHE 60 Cb 0.25 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.61 1sg8 s PHE 60 CO -0.15 -0.44 0.28 0.95 -0.10 0.00 0.00 175.22 175.76 1sg8 s THR 60 N -1.72 3.68 0.34 0.64 -4.23 -1.26 -4.97 115.64 108.12 1sg8 s THR 60 Ca 0.57 -1.37 0.13 0.00 -1.18 0.00 0.00 61.69 59.84 1sg8 s THR 60 Cb -0.20 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.78 1sg8 s THR 60 CO 0.25 -0.20 1.60 -0.33 -0.54 0.00 0.00 174.62 175.40 1sg8 h GLU 61 N 1.28 0.07 -0.02 3.99 3.07 -1.91 -0.93 114.58 120.13 1sg8 h GLU 61 Ca -0.45 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.32 1sg8 h GLU 61 Cb 1.25 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1sg8 h GLU 61 CO 0.59 0.04 -0.38 -0.97 -1.40 0.00 0.00 179.01 176.89 1sg8 h ASN 62 N 0.07 0.05 1.04 1.42 -0.73 -1.94 -3.22 115.58 112.27 1sg8 h ASN 62 Ca 0.73 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.89 1sg8 h ASN 62 Cb 1.77 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.35 1sg8 h ASN 62 CO -0.78 0.43 0.00 0.47 -0.37 0.00 0.00 177.43 177.18 1sg8 n ASP 63 N -4.08 0.62 -4.50 1.15 8.00 -0.35 -4.88 116.55 112.51 1sg8 n ASP 63 Ca -0.02 0.60 -0.25 0.00 0.71 0.00 0.00 54.79 55.84 1sg8 n ASP 63 Cb 0.42 -0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 40.67 1sg8 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sg8 s LEU 64 N -4.26 2.66 0.07 0.64 1.43 -1.22 -1.73 118.68 116.28 1sg8 s LEU 64 Ca 0.08 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.08 1sg8 s LEU 64 Cb 0.11 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1sg8 s LEU 64 CO 0.48 -0.10 -0.07 -0.76 0.23 0.00 0.00 176.35 176.12 1sg8 s LEU 65 N -3.56 2.39 -0.22 1.79 1.43 0.34 -4.54 118.68 116.32 1sg8 s LEU 65 Ca 0.31 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1sg8 s LEU 65 Cb -0.01 -0.12 0.03 0.00 0.03 0.00 0.00 46.19 46.12 1sg8 s LEU 65 CO 0.15 -0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 175.56 1sg8 s VAL 66 N -2.55 2.34 -0.29 -1.59 1.01 -0.68 -1.06 120.40 117.57 1sg8 s VAL 66 Ca 0.01 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1sg8 s VAL 66 Cb -0.02 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1sg8 s VAL 66 CO -0.02 0.33 0.13 -0.13 0.00 0.00 0.00 175.10 175.40 1sg8 s ARG 67 N 1.27 3.42 0.09 2.72 0.52 -0.19 -0.70 118.95 126.07 1sg8 s ARG 67 Ca 0.01 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 54.64 1sg8 s ARG 67 Cb -0.15 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 1sg8 s ARG 67 CO -0.09 -0.35 -0.15 0.42 0.02 0.00 0.00 175.30 175.15 1sg8 s ILE 68 N 1.61 3.04 0.00 1.52 1.01 -0.18 -0.74 121.20 127.45 1sg8 s ILE 68 Ca 0.05 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1sg8 s ILE 68 Cb -0.17 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1sg8 s ILE 68 CO 0.05 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1sg8 n GLY 69 N 0.97 0.69 3.80 6.18 0.00 -1.25 0.53 105.19 116.12 1sg8 n GLY 69 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1sg8 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg8 s LYS 70 N -0.20 2.75 0.00 1.61 1.02 -1.26 -4.38 119.74 119.28 1sg8 s LYS 70 Ca 0.00 1.03 0.00 0.00 0.02 0.00 0.00 55.97 57.02 1sg8 s LYS 70 Cb 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1sg8 s LYS 70 CO 0.00 -1.25 0.00 1.58 -0.92 0.00 0.00 175.35 174.76 1sg8 n HIS 71 N -3.20 0.00 -3.31 3.18 -0.00 -1.26 -4.98 115.22 105.65 1sg8 n HIS 71 Ca 0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.42 1sg8 n HIS 71 Cb 0.53 0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.76 1sg8 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1sg8 s SER 72 N -4.79 6.95 0.04 0.26 0.15 -1.26 -0.77 113.70 114.28 1sg8 s SER 72 Ca 0.00 1.13 -0.25 0.00 0.70 0.00 0.00 55.95 57.53 1sg8 s SER 72 Cb 0.00 -2.33 -0.17 0.00 -1.71 0.00 0.00 66.02 61.81 1sg8 s SER 72 CO 0.00 0.21 1.52 -0.09 1.20 0.00 0.00 173.24 176.08 1sg8 h ARG 73 N 5.10 -0.15 0.00 5.44 2.43 -1.45 -3.40 114.38 122.34 1sg8 h ARG 73 Ca -0.48 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1sg8 h ARG 73 Cb 1.21 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1sg8 h ARG 73 CO 0.66 0.06 -0.69 0.25 -1.51 0.00 0.00 179.97 178.74 1sg8 n THR 74 N -5.07 1.44 -1.52 0.20 -2.24 -1.26 -4.97 114.28 100.86 1sg8 n THR 74 Ca -0.08 0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1sg8 n THR 74 Cb 0.16 -2.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.07 1sg8 n THR 74 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1sg8 n ARG 75 N -4.57 0.90 -3.07 -0.78 1.74 -1.26 -4.90 116.66 104.71 1sg8 n ARG 75 Ca -0.12 0.32 -0.44 0.00 -0.77 0.00 0.00 57.85 56.84 1sg8 n ARG 75 Cb 0.36 -1.68 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1sg8 n ARG 75 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sg8 s TYR 76 N -1.29 2.97 -1.38 -1.55 5.04 -1.26 -4.83 117.35 115.05 1sg8 s TYR 76 Ca 0.62 -0.49 -0.08 0.00 -2.44 0.00 0.00 57.07 54.68 1sg8 s TYR 76 Cb -0.64 -3.75 -0.01 0.00 0.35 0.00 0.00 41.96 37.91 1sg8 s TYR 76 CO 0.58 -1.17 2.77 0.39 -1.34 0.00 0.00 175.55 176.79 1sg8 n GLU 77 N 6.53 3.91 -1.52 4.97 1.02 -1.26 -4.97 120.64 129.32 1sg8 n GLU 77 Ca -0.05 -2.62 -0.51 0.00 -0.02 0.00 0.00 57.16 53.95 1sg8 n GLU 77 Cb 0.45 -2.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.16 1sg8 n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sg8 n ALA 77 N 2.71 -1.92 -3.52 0.62 0.00 -1.26 -1.61 120.51 115.52 1sg8 n ALA 77 Ca 0.70 0.49 -0.21 0.00 0.00 0.00 0.00 53.44 54.42 1sg8 n ALA 77 Cb 0.28 -1.88 0.08 0.00 0.00 0.00 0.00 19.45 17.94 1sg8 n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1sg8 n ASN 78 N 1.89 -4.23 0.00 0.00 3.02 -1.26 -4.65 115.26 110.02 1sg8 n ASN 78 Ca 0.17 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1sg8 n ASN 78 Cb 0.20 -5.06 0.00 0.00 -0.61 0.00 0.00 39.78 34.31 1sg8 n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1sg8 n ILE 79 N -4.58 0.00 -4.43 2.41 5.41 -0.85 -5.10 119.36 112.23 1sg8 n ILE 79 Ca -0.14 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.37 1sg8 n ILE 79 Cb 0.61 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.45 1sg8 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1sg8 s GLU 80 N -1.00 1.83 -0.03 0.38 -1.05 -0.64 -4.60 118.70 113.59 1sg8 s GLU 80 Ca 0.00 -1.69 0.00 0.00 -0.15 0.00 0.00 54.97 53.14 1sg8 s GLU 80 Cb 0.00 -1.86 0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1sg8 s GLU 80 CO 0.00 0.34 -0.00 0.21 0.95 0.00 0.00 175.26 176.75 1sg8 s LYS 81 N -3.55 0.33 -0.16 -4.83 2.36 0.19 -4.79 119.74 109.28 1sg8 s LYS 81 Ca 0.30 0.06 -0.17 0.00 -2.55 0.00 0.00 55.97 53.62 1sg8 s LYS 81 Cb -0.05 -0.50 -0.04 0.00 -1.05 0.00 0.00 37.83 36.19 1sg8 s LYS 81 CO 0.16 -0.13 0.42 0.42 1.55 0.00 0.00 175.35 177.78 1sg8 s ILE 82 N 1.00 5.20 0.03 5.43 1.09 -1.26 -1.01 121.20 131.67 1sg8 s ILE 82 Ca -0.10 0.80 0.05 0.00 -1.10 0.00 0.00 60.65 60.30 1sg8 s ILE 82 Cb -0.14 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.49 1sg8 s ILE 82 CO -0.02 0.30 -0.15 -0.44 -0.10 0.00 0.00 174.94 174.54 1sg8 s SER 83 N 0.78 1.72 0.53 3.58 0.01 0.12 -4.98 113.70 115.47 1sg8 s SER 83 Ca 0.22 -0.41 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 1sg8 s SER 83 Cb -0.15 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 1sg8 s SER 83 CO 0.08 0.08 0.87 -0.04 0.41 0.00 0.00 173.24 174.64 1sg8 s MET 84 N -0.93 3.52 -0.25 12.44 -1.94 -1.26 -1.69 119.30 129.20 1sg8 s MET 84 Ca 0.03 0.36 -0.09 0.00 -1.71 0.00 0.00 55.69 54.28 1sg8 s MET 84 Cb -0.07 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 1sg8 s MET 84 CO 0.01 -0.35 0.12 -0.51 -0.01 0.00 0.00 175.02 174.28 1sg8 s LEU 85 N -4.89 3.77 -0.13 -0.03 1.43 -1.26 -1.56 118.68 116.00 1sg8 s LEU 85 Ca 0.50 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 53.26 1sg8 s LEU 85 Cb -0.11 -2.02 -0.26 0.00 0.03 0.00 0.00 46.19 43.84 1sg8 s LEU 85 CO 0.48 0.00 0.80 -0.08 0.23 0.00 0.00 176.35 177.78 1sg8 h GLU 86 N 7.97 0.02 -3.26 1.70 4.81 -0.95 -3.43 114.58 121.44 1sg8 h GLU 86 Ca -0.37 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 58.71 1sg8 h GLU 86 Cb 1.18 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.38 1sg8 h GLU 86 CO 0.60 1.00 -0.32 0.21 -0.73 0.00 0.00 179.01 179.76 1sg8 s LYS 87 N -2.32 0.68 -0.12 1.92 2.36 -1.12 -4.93 119.74 116.21 1sg8 s LYS 87 Ca -0.18 -0.38 0.01 0.00 -2.55 0.00 0.00 55.97 52.87 1sg8 s LYS 87 Cb -0.03 0.30 -0.01 0.00 -1.05 0.00 0.00 37.83 37.04 1sg8 s LYS 87 CO 0.70 -0.20 -0.15 0.42 1.55 0.00 0.00 175.35 177.67 1sg8 s ILE 88 N -1.86 2.84 -0.23 5.43 1.01 -1.26 -0.51 121.20 126.62 1sg8 s ILE 88 Ca -0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1sg8 s ILE 88 Cb -0.04 -2.17 0.05 0.00 0.01 0.00 0.00 42.46 40.31 1sg8 s ILE 88 CO 0.01 0.53 -0.13 -0.31 0.00 0.00 0.00 174.94 175.04 1sg8 s TYR 89 N 0.36 3.04 -0.13 3.97 2.02 0.15 -5.00 117.35 121.77 1sg8 s TYR 89 Ca -0.12 -2.07 -0.03 0.00 -0.37 0.00 0.00 57.07 54.48 1sg8 s TYR 89 Cb -0.16 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1sg8 s TYR 89 CO 0.06 -0.85 -0.01 0.42 -1.57 0.00 0.00 175.55 173.61 1sg8 s ILE 90 N 1.19 4.20 0.22 2.71 1.01 -1.26 0.53 121.20 129.80 1sg8 s ILE 90 Ca -0.05 -0.26 -0.32 0.00 0.00 0.00 0.00 60.65 60.02 1sg8 s ILE 90 Cb -0.18 -2.82 -0.14 0.00 0.01 0.00 0.00 42.46 39.34 1sg8 s ILE 90 CO -0.07 0.54 1.40 1.57 0.00 0.00 0.00 174.94 178.37 1sg8 n HIS 91 N 2.93 2.06 0.25 3.97 -0.00 -1.13 -4.87 115.22 118.43 1sg8 n HIS 91 Ca -0.18 0.45 0.09 0.00 -0.00 0.00 0.00 57.72 58.08 1sg8 n HIS 91 Cb 0.53 -2.45 0.66 0.00 -0.00 0.00 0.00 29.99 28.73 1sg8 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1sg8 h PRO 92 N 4.33 0.00 -0.69 1.57 0.13 -1.95 -2.83 132.00 132.57 1sg8 h PRO 92 Ca -0.45 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.42 1sg8 h PRO 92 Cb 1.28 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1sg8 h PRO 92 CO 0.77 0.10 0.28 0.54 -0.23 0.00 0.00 178.00 179.45 1sg8 n ARG 93 N -4.12 2.98 -2.29 0.86 1.74 -1.26 -4.97 116.66 109.60 1sg8 n ARG 93 Ca -0.03 -3.07 -0.42 0.00 -0.77 0.00 0.00 57.85 53.57 1sg8 n ARG 93 Cb 0.19 -2.10 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 1sg8 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1sg8 s TYR 94 N -3.10 3.34 -0.60 -1.55 5.04 -1.07 -4.70 117.35 114.71 1sg8 s TYR 94 Ca 0.53 1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 56.32 1sg8 s TYR 94 Cb 0.43 -3.54 0.15 0.00 0.35 0.00 0.00 41.96 39.36 1sg8 s TYR 94 CO 0.10 -1.75 0.40 1.21 -1.34 0.00 0.00 175.55 174.18 1sg8 s ASN 95 N 0.81 5.10 0.32 4.32 3.84 -0.44 -4.93 114.94 123.96 1sg8 s ASN 95 Ca 0.59 -2.86 0.14 0.00 0.21 0.00 0.00 52.86 50.95 1sg8 s ASN 95 Cb -0.34 -1.82 0.48 0.00 -0.55 0.00 0.00 41.25 39.03 1sg8 s ASN 95 CO 0.32 -0.35 1.65 4.11 -2.79 0.00 0.00 177.10 180.04 1sg8 h TRP 96 N 6.97 0.00 0.15 0.43 5.08 -1.92 0.27 115.95 126.93 1sg8 h TRP 96 Ca -0.03 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 1sg8 h TRP 96 Cb 0.95 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.11 1sg8 h TRP 96 CO 0.67 0.51 -0.07 -0.09 -1.28 0.00 0.00 178.44 178.18 1sg8 h ARG 97 N 0.00 -0.19 0.00 0.12 2.43 -1.99 -3.40 114.38 111.35 1sg8 h ARG 97 Ca -0.01 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 1sg8 h ARG 97 Cb 1.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1sg8 h ARG 97 CO 0.07 0.24 -0.86 0.93 -1.51 0.00 0.00 179.97 178.84 1sg8 h GLU 97 N -0.73 0.00 0.00 0.20 5.08 -2.00 -3.46 114.58 113.66 1sg8 h GLU 97 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sg8 h GLU 97 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1sg8 h GLU 97 CO 0.03 0.97 -0.08 0.27 -1.00 0.00 0.00 179.01 179.21 1sg8 n ASN 98 N -4.49 0.00 -2.43 1.42 0.23 -1.24 -4.69 115.26 104.06 1sg8 n ASN 98 Ca -0.25 -1.16 -0.21 0.00 -0.53 0.00 0.00 54.58 52.44 1sg8 n ASN 98 Cb 0.61 -0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 1sg8 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1sg8 n LEU 99 N 0.00 -2.01 -4.76 -4.53 4.77 0.92 -4.91 117.00 106.49 1sg8 n LEU 99 Ca 0.00 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 1sg8 n LEU 99 Cb 0.53 -2.94 -0.01 0.00 -2.33 0.00 0.00 43.42 38.67 1sg8 n LEU 99 CO 0.00 -0.18 1.19 -0.62 -1.33 0.00 0.00 177.39 176.45 1sg8 s ASP 100 N -2.11 6.42 -1.37 -1.43 2.15 -1.14 -2.20 116.67 116.98 1sg8 s ASP 100 Ca 0.02 2.93 -0.09 0.00 0.43 0.00 0.00 52.55 55.84 1sg8 s ASP 100 Cb -0.01 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.99 1sg8 s ASP 100 CO 0.03 -0.86 1.12 0.54 -0.17 0.00 0.00 175.17 175.83 1sg8 n ARG 101 N 1.72 -7.35 -2.26 4.34 1.74 -1.26 -1.32 116.66 112.26 1sg8 n ARG 101 Ca 0.06 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.59 1sg8 n ARG 101 Cb 0.38 -5.80 -0.04 0.00 -1.02 0.00 0.00 32.46 25.99 1sg8 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1sg8 s ASP 102 N -3.45 5.70 -0.03 0.55 2.15 -0.94 -4.51 116.67 116.14 1sg8 s ASP 102 Ca 0.53 -1.94 -0.12 0.00 0.43 0.00 0.00 52.55 51.45 1sg8 s ASP 102 Cb -0.24 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.82 1sg8 s ASP 102 CO 0.75 -2.37 0.28 -0.51 -0.17 0.00 0.00 175.17 173.15 1sg8 s ILE 103 N 8.49 0.05 -0.01 4.11 2.07 -1.26 -3.74 121.20 130.91 1sg8 s ILE 103 Ca 0.63 -0.40 -0.19 0.00 -1.41 0.00 0.00 60.65 59.28 1sg8 s ILE 103 Cb 0.01 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.10 1sg8 s ILE 103 CO 0.11 -0.22 0.40 0.00 -1.91 0.00 0.00 174.94 173.32 1sg8 s ALA 104 N -0.99 -1.03 0.15 1.50 0.00 0.40 -2.85 121.76 118.95 1sg8 s ALA 104 Ca -0.11 0.53 0.08 0.00 0.00 0.00 0.00 51.96 52.47 1sg8 s ALA 104 Cb -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1sg8 s ALA 104 CO 0.03 -0.31 -0.10 -0.51 0.00 0.00 0.00 175.76 174.87 1sg8 s LEU 105 N -1.41 2.99 -0.05 0.00 1.43 0.19 -1.67 118.68 120.16 1sg8 s LEU 105 Ca -0.12 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1sg8 s LEU 105 Cb -0.03 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1sg8 s LEU 105 CO 0.04 0.13 0.03 -0.04 0.23 0.00 0.00 176.35 176.75 1sg8 s MET 106 N -2.61 0.17 -0.03 1.70 -1.94 -0.72 0.33 119.30 116.20 1sg8 s MET 106 Ca 0.23 0.25 -0.24 0.00 -1.71 0.00 0.00 55.69 54.23 1sg8 s MET 106 Cb -0.10 -0.63 -0.04 0.00 2.01 0.00 0.00 34.83 36.07 1sg8 s MET 106 CO 0.15 -0.29 0.71 0.21 -0.01 0.00 0.00 175.02 175.78 1sg8 s LYS 107 N 1.91 4.44 0.24 2.03 2.47 0.34 -2.19 119.74 128.97 1sg8 s LYS 107 Ca 0.02 0.92 -0.13 0.00 -1.56 0.00 0.00 55.97 55.22 1sg8 s LYS 107 Cb -0.12 -3.41 -0.08 0.00 -1.46 0.00 0.00 37.83 32.76 1sg8 s LYS 107 CO -0.03 0.17 0.63 -0.51 0.16 0.00 0.00 175.35 175.76 1sg8 s LEU 108 N 0.43 4.19 0.20 5.43 1.43 -0.10 -0.39 118.68 129.86 1sg8 s LEU 108 Ca 0.37 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.51 1sg8 s LEU 108 Cb -0.19 -3.73 0.12 0.00 0.03 0.00 0.00 46.19 42.43 1sg8 s LEU 108 CO 0.19 -0.07 1.73 0.11 0.23 0.00 0.00 176.35 178.55 1sg8 h LYS 109 N 2.74 1.11 -4.77 1.70 1.57 -1.59 -3.41 116.57 113.92 1sg8 h LYS 109 Ca -0.48 -0.24 -0.40 0.00 -1.87 0.00 0.00 60.65 57.67 1sg8 h LYS 109 Cb 1.18 -0.16 -0.29 0.00 0.08 0.00 0.00 32.23 33.04 1sg8 h LYS 109 CO 0.67 0.95 -0.78 0.15 -0.57 0.00 0.00 179.45 179.86 1sg8 s LYS 110 N -5.42 0.78 0.32 3.15 1.02 -1.26 -4.98 119.74 113.34 1sg8 s LYS 110 Ca -0.12 -0.34 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 1sg8 s LYS 110 Cb 0.15 -0.75 -0.12 0.00 -0.52 0.00 0.00 37.83 36.58 1sg8 s LYS 110 CO 0.83 0.20 1.34 -0.35 -0.92 0.00 0.00 175.35 176.46 1sg8 n PRO 111 N 2.87 2.17 -2.73 -1.68 -0.04 -1.26 -4.88 135.00 129.45 1sg8 n PRO 111 Ca -0.14 0.77 -0.31 0.00 -0.04 0.00 0.00 63.50 63.78 1sg8 n PRO 111 Cb 0.57 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 1sg8 n PRO 111 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1sg8 s VAL 112 N -0.83 4.69 -0.20 0.52 1.01 0.20 -5.00 120.40 120.79 1sg8 s VAL 112 Ca 0.58 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.33 1sg8 s VAL 112 Cb -0.57 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1sg8 s VAL 112 CO 0.59 -0.54 0.09 0.00 0.00 0.00 0.00 175.10 175.23 1sg8 s ALA 113 N -2.42 3.44 0.50 5.51 0.00 -1.26 -4.84 121.76 122.69 1sg8 s ALA 113 Ca 0.54 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1sg8 s ALA 113 Cb -0.10 -2.03 -0.08 0.00 0.00 0.00 0.00 23.12 20.91 1sg8 s ALA 113 CO 0.30 0.05 0.98 -0.06 0.00 0.00 0.00 175.76 177.03 1sg8 s PHE 114 N 0.61 3.40 0.00 0.00 0.08 -1.26 -4.88 117.98 115.93 1sg8 s PHE 114 Ca 0.04 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.59 1sg8 s PHE 114 Cb -0.13 -2.82 0.00 0.00 -0.57 0.00 0.00 43.02 39.50 1sg8 s PHE 114 CO 0.01 -0.37 0.00 -1.13 -0.10 0.00 0.00 175.22 173.63 1sg8 n SER 115 N -1.43 0.00 0.15 1.36 3.41 -0.49 -4.92 113.62 111.70 1sg8 n SER 115 Ca 0.07 -0.54 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 1sg8 n SER 115 Cb 0.54 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.04 1sg8 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1sg8 h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.98 -2.94 116.42 118.86 1sg8 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sg8 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sg8 h ASP 116 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1sg8 n TYR 117 N -2.30 0.00 -3.62 4.55 4.01 -1.26 -4.78 117.16 113.76 1sg8 n TYR 117 Ca 0.01 -0.20 -0.28 0.00 -0.16 0.00 0.00 57.90 57.27 1sg8 n TYR 117 Cb 0.16 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.02 1sg8 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1sg8 s ILE 118 N -0.40 0.21 -0.09 -0.72 1.01 -1.11 -4.21 121.20 115.90 1sg8 s ILE 118 Ca 0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1sg8 s ILE 118 Cb 0.00 -1.06 0.03 0.00 0.01 0.00 0.00 42.46 41.44 1sg8 s ILE 118 CO 0.00 -0.56 0.24 -2.28 0.00 0.00 0.00 174.94 172.34 1sg8 s HIS 119 N 1.97 -0.27 0.48 3.97 2.46 -0.29 -1.39 115.29 122.22 1sg8 s HIS 119 Ca 0.06 0.65 -0.21 0.00 0.47 0.00 0.00 55.06 56.03 1sg8 s HIS 119 Cb -0.16 0.08 -0.07 0.00 -0.13 0.00 0.00 32.58 32.29 1sg8 s HIS 119 CO -0.25 -0.14 1.11 -1.25 -2.47 0.00 0.00 174.74 171.74 1sg8 s PRO 120 N 0.30 3.70 0.25 2.88 0.04 -1.26 -2.74 135.00 138.17 1sg8 s PRO 120 Ca -0.01 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.59 1sg8 s PRO 120 Cb -0.03 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1sg8 s PRO 120 CO -0.01 -0.56 0.47 0.54 0.04 0.00 0.00 177.00 177.48 1sg8 s VAL 121 N -1.73 5.13 0.35 -0.36 0.11 -0.67 -4.94 120.40 118.28 1sg8 s VAL 121 Ca 0.66 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.28 1sg8 s VAL 121 Cb -0.23 -3.75 -0.10 0.00 -1.53 0.00 0.00 36.38 30.77 1sg8 s VAL 121 CO 0.28 -0.27 0.87 0.00 -3.33 0.00 0.00 175.10 172.65 1sg8 s LEU 123 N -2.69 4.22 0.58 0.00 1.43 -1.26 -1.29 118.68 119.67 1sg8 s LEU 123 Ca 0.55 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.17 1sg8 s LEU 123 Cb -0.13 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1sg8 s LEU 123 CO 0.18 -0.00 1.04 -2.16 0.23 0.00 0.00 176.35 175.63 1sg8 s PRO 124 N -2.80 3.43 0.45 1.29 0.04 -1.26 -4.89 135.00 131.26 1sg8 s PRO 124 Ca 0.43 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1sg8 s PRO 124 Cb -0.12 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1sg8 s PRO 124 CO 0.24 -0.71 0.04 0.16 0.04 0.00 0.00 177.00 176.77 1sg8 s ASP 125 N -2.91 3.61 0.00 6.66 3.84 -1.26 -4.84 116.67 121.77 1sg8 s ASP 125 Ca 0.62 -1.57 0.00 0.00 -0.00 0.00 0.00 52.55 51.60 1sg8 s ASP 125 Cb -0.15 0.25 0.00 0.00 -1.38 0.00 0.00 42.92 41.65 1sg8 s ASP 125 CO 0.37 -0.75 0.74 0.54 -0.00 0.00 0.00 175.17 176.07 1sg8 n ARG 126 N -1.07 0.00 -0.21 2.11 1.74 -1.26 -2.21 116.66 115.77 1sg8 n ARG 126 Ca -0.12 0.74 -0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1sg8 n ARG 126 Cb 0.67 -1.17 0.07 0.00 -1.02 0.00 0.00 32.46 31.00 1sg8 n ARG 126 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sg8 h GLU 127 N 0.00 0.02 -0.25 5.56 3.07 -2.04 0.28 114.58 121.22 1sg8 h GLU 127 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sg8 h GLU 127 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1sg8 h GLU 127 CO 0.00 0.01 0.00 2.41 -1.40 0.00 0.00 179.01 180.03 1sg8 n THR 128 N -5.39 0.00 0.00 1.13 -1.04 -0.94 -1.56 114.28 106.48 1sg8 n THR 128 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1sg8 n THR 128 Cb 0.33 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1sg8 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sg8 n ALA 129 N 0.54 0.00 0.09 2.41 0.00 0.98 -1.52 120.51 123.01 1sg8 n ALA 129 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1sg8 n ALA 129 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 1sg8 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sg8 h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.54 -3.39 113.55 113.26 1sg8 h SER 129 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1sg8 h SER 129 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1sg8 h SER 129 CO 0.00 0.30 -2.25 0.18 -0.87 0.00 0.00 176.83 174.20 1sg8 n LEU 129 N -2.86 0.01 -4.00 5.97 4.32 -0.58 -4.66 117.00 115.19 1sg8 n LEU 129 Ca -0.04 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.53 1sg8 n LEU 129 Cb 0.69 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.81 1sg8 n LEU 129 CO 0.41 0.32 2.07 0.18 -1.22 0.00 0.00 177.39 179.15 1sg8 n LEU 130 N -2.58 6.30 -4.19 2.23 4.77 -1.26 -4.81 117.00 117.46 1sg8 n LEU 130 Ca -0.23 -4.40 -0.25 0.00 -0.03 0.00 0.00 56.01 51.10 1sg8 n LEU 130 Cb 0.95 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.31 1sg8 n LEU 130 CO 0.44 1.07 -0.51 -1.10 -1.33 0.00 0.00 177.39 175.96 1sg8 s GLN 131 N 1.77 1.49 -0.01 3.23 -0.21 -1.26 -4.95 119.66 119.72 1sg8 s GLN 131 Ca 0.44 -0.68 -0.34 0.00 0.02 0.00 0.00 55.36 54.79 1sg8 s GLN 131 Cb 0.08 -1.45 -0.13 0.00 1.00 0.00 0.00 33.01 32.51 1sg8 s GLN 131 CO -0.01 0.40 1.77 0.00 -2.12 0.00 0.00 175.29 175.33 1sg8 n ALA 132 N 2.57 0.96 0.00 6.09 0.00 -1.26 -1.24 120.51 127.63 1sg8 n ALA 132 Ca -0.15 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1sg8 n ALA 132 Cb 0.54 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1sg8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sg8 n GLY 133 N 4.05 2.17 3.73 0.00 0.00 0.13 -4.93 105.19 110.34 1sg8 n GLY 133 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1sg8 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sg8 s TYR 134 N -2.18 3.42 0.03 1.61 1.51 -0.37 -4.54 117.35 116.83 1sg8 s TYR 134 Ca 0.00 1.38 -0.10 0.00 -1.01 0.00 0.00 57.07 57.34 1sg8 s TYR 134 Cb 0.00 -3.44 -0.05 0.00 -0.11 0.00 0.00 41.96 38.35 1sg8 s TYR 134 CO 0.00 -1.28 0.36 0.15 -1.11 0.00 0.00 175.55 173.67 1sg8 s LYS 135 N -0.03 3.74 0.25 -0.62 1.02 -1.26 0.09 119.74 122.93 1sg8 s LYS 135 Ca 0.54 0.17 0.06 0.00 0.02 0.00 0.00 55.97 56.76 1sg8 s LYS 135 Cb -0.33 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 1sg8 s LYS 135 CO 0.36 0.63 -0.06 0.20 -0.92 0.00 0.00 175.35 175.56 1sg8 s GLY 136 N -1.52 1.69 -0.14 -3.33 0.00 0.16 -4.87 107.32 99.31 1sg8 s GLY 136 Ca 0.28 -1.83 -0.06 0.00 0.00 0.00 0.00 44.72 43.11 1sg8 s GLY 136 CO 0.15 -1.78 0.08 -1.60 0.00 0.00 0.00 173.10 169.95 1sg8 s ARG 137 N -3.75 3.57 -0.07 2.90 3.52 0.14 -1.26 118.95 124.00 1sg8 s ARG 137 Ca 0.28 -0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.65 1sg8 s ARG 137 Cb 0.04 -3.12 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1sg8 s ARG 137 CO 0.10 0.55 -0.22 0.08 -0.81 0.00 0.00 175.30 175.01 1sg8 s VAL 138 N -0.41 1.84 0.01 7.11 1.01 -0.40 -0.54 120.40 129.02 1sg8 s VAL 138 Ca 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1sg8 s VAL 138 Cb -0.12 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1sg8 s VAL 138 CO 0.02 0.51 -0.08 0.42 0.00 0.00 0.00 175.10 175.98 1sg8 s THR 139 N 0.12 0.57 0.03 3.92 -4.23 -1.23 -2.22 115.64 112.60 1sg8 s THR 139 Ca -0.10 -0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 59.55 1sg8 s THR 139 Cb -0.15 -0.54 0.10 0.00 1.34 0.00 0.00 72.50 73.25 1sg8 s THR 139 CO 0.05 -0.03 1.22 -0.83 -0.54 0.00 0.00 174.62 174.49 1sg8 s GLY 140 N -0.69 -0.15 0.00 3.99 0.00 -0.99 -4.57 107.32 104.92 1sg8 s GLY 140 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 44.72 44.94 1sg8 s GLY 140 CO 0.00 3.50 1.23 0.79 0.00 0.00 0.00 173.10 178.62 1sg8 n TRP 141 N -0.75 0.45 -0.30 1.90 8.01 -1.26 -1.81 117.44 123.68 1sg8 n TRP 141 Ca -0.01 -0.43 -0.27 0.00 -1.31 0.00 0.00 57.50 55.48 1sg8 n TRP 141 Cb 0.60 -0.02 0.26 0.00 -2.01 0.00 0.00 31.31 30.13 1sg8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1sg8 n GLY 142 N 0.65 -3.54 3.66 6.99 0.00 -1.25 -4.51 105.19 107.20 1sg8 n GLY 142 Ca 0.12 -1.48 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 1sg8 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sg8 n ASN 143 N -4.62 1.30 -0.16 1.61 3.02 -0.12 -3.19 115.26 113.09 1sg8 n ASN 143 Ca 0.12 0.81 0.13 0.00 -0.03 0.00 0.00 54.58 55.61 1sg8 n ASN 143 Cb 0.52 -1.46 0.46 0.00 -0.61 0.00 0.00 39.78 38.69 1sg8 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1sg8 n LEU 144 N -1.24 0.73 -3.56 3.41 4.77 -0.28 -1.21 117.00 119.63 1sg8 n LEU 144 Ca 0.15 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1sg8 n LEU 144 Cb 0.48 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1sg8 n LEU 144 CO 0.48 0.14 0.70 -1.59 -1.33 0.00 0.00 177.39 175.80 1sg8 s LYS 145 N -2.56 0.70 -0.21 3.23 -2.85 -1.26 -4.40 119.74 112.39 1sg8 s LYS 145 Ca 0.24 0.13 -0.29 0.00 -1.00 0.00 0.00 55.97 55.05 1sg8 s LYS 145 Cb 0.19 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.25 1sg8 s LYS 145 CO 0.52 -0.23 1.92 -2.00 0.10 0.00 0.00 175.35 175.67 1sg8 s GLU 146 N -1.29 3.51 0.00 1.78 2.12 -1.26 -4.86 118.70 118.70 1sg8 s GLU 146 Ca -0.03 1.88 0.00 0.00 0.36 0.00 0.00 54.97 57.18 1sg8 s GLU 146 Cb -0.00 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.18 1sg8 s GLU 146 CO 0.02 -1.66 0.00 0.25 -0.54 0.00 0.00 175.26 173.33 1sg8 n THR 147 N 6.99 0.00 0.00 -1.70 -2.24 -1.26 -5.02 114.28 111.05 1sg8 n THR 147 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1sg8 n THR 147 Cb 0.45 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 1sg8 n THR 147 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1sg8 n TRP 148 N -0.10 0.00 0.00 4.78 5.03 -1.26 -5.10 117.44 120.79 1sg8 n TRP 148 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1sg8 n TRP 148 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 1sg8 n TRP 148 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1sg8 n GLY 150 N -1.51 0.07 3.72 6.99 0.00 -1.26 -5.32 105.19 107.88 1sg8 n GLY 150 Ca 0.00 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1sg8 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sg8 s GLN 151 N 0.00 4.33 0.39 1.61 -0.21 -1.26 -1.12 119.66 123.40 1sg8 s GLN 151 Ca 0.00 0.41 -0.07 0.00 0.02 0.00 0.00 55.36 55.72 1sg8 s GLN 151 Cb 0.00 -3.43 -0.05 0.00 1.00 0.00 0.00 33.01 30.53 1sg8 s GLN 151 CO 0.00 0.17 0.71 -2.14 -2.12 0.00 0.00 175.29 171.91 1sg8 s PRO 152 N 0.58 3.66 -0.04 2.91 0.02 -1.26 -4.96 135.00 135.91 1sg8 s PRO 152 Ca 0.25 0.22 0.19 0.00 0.02 0.00 0.00 61.00 61.69 1sg8 s PRO 152 Cb -0.15 -2.47 -0.30 0.00 0.02 0.00 0.00 34.50 31.61 1sg8 s PRO 152 CO 0.10 -0.01 0.40 -1.13 -0.33 0.00 0.00 177.00 176.03 1sg8 n SER 153 N -1.51 0.56 -4.13 2.53 3.41 -1.26 -4.71 113.62 108.52 1sg8 n SER 153 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1sg8 n SER 153 Cb 0.54 1.83 -0.11 0.00 -0.26 0.00 0.00 64.21 66.21 1sg8 n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sg8 s VAL 154 N -3.29 0.72 0.32 -3.33 1.01 -1.26 -1.24 120.40 113.34 1sg8 s VAL 154 Ca -0.07 -1.45 -0.27 0.00 0.00 0.00 0.00 61.98 60.19 1sg8 s VAL 154 Cb 0.12 -1.10 -0.13 0.00 0.00 0.00 0.00 36.38 35.27 1sg8 s VAL 154 CO 0.80 -0.53 0.94 -0.11 0.00 0.00 0.00 175.10 176.20 1sg8 n LEU 155 N 0.85 1.62 -4.49 3.92 7.94 0.05 -4.83 117.00 122.06 1sg8 n LEU 155 Ca -0.18 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 55.53 1sg8 n LEU 155 Cb 0.57 -1.27 -0.12 0.00 0.53 0.00 0.00 43.42 43.13 1sg8 n LEU 155 CO 0.25 -1.64 -0.47 -1.10 -1.11 0.00 0.00 177.39 173.31 1sg8 s GLN 156 N -1.62 2.08 0.05 1.96 -1.52 -0.75 -1.14 119.66 118.72 1sg8 s GLN 156 Ca 0.60 -0.99 0.06 0.00 -1.95 0.00 0.00 55.36 53.08 1sg8 s GLN 156 Cb -0.67 -2.22 -0.02 0.00 -0.22 0.00 0.00 33.01 29.87 1sg8 s GLN 156 CO 0.59 0.53 -0.17 0.14 -0.25 0.00 0.00 175.29 176.13 1sg8 s VAL 157 N -0.99 1.39 -0.16 1.09 -7.23 -0.07 -2.35 120.40 112.07 1sg8 s VAL 157 Ca 0.16 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.04 1sg8 s VAL 157 Cb -0.11 -1.23 0.04 0.00 0.56 0.00 0.00 36.38 35.64 1sg8 s VAL 157 CO 0.07 0.07 0.43 0.54 -0.31 0.00 0.00 175.10 175.91 1sg8 s VAL 158 N -0.87 0.00 -0.15 1.32 0.11 -0.94 -1.67 120.40 118.20 1sg8 s VAL 158 Ca 0.04 -0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1sg8 s VAL 158 Cb -0.08 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1sg8 s VAL 158 CO 0.02 -0.01 0.01 0.20 -3.33 0.00 0.00 175.10 171.99 1sg8 s ASN 159 N 0.17 5.20 0.04 3.54 0.01 -1.26 -1.27 114.94 121.37 1sg8 s ASN 159 Ca -0.00 -0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1sg8 s ASN 159 Cb -0.03 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 1sg8 s ASN 159 CO 0.01 0.20 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.93 1sg8 s LEU 160 N 0.16 2.19 0.14 0.60 1.43 -0.39 -4.92 118.68 117.89 1sg8 s LEU 160 Ca 0.01 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.43 1sg8 s LEU 160 Cb -0.13 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.56 1sg8 s LEU 160 CO 0.02 -0.03 0.68 -2.16 0.23 0.00 0.00 176.35 175.09 1sg8 s PRO 161 N -1.22 4.37 0.37 1.29 0.04 -1.26 -0.67 135.00 137.92 1sg8 s PRO 161 Ca -0.01 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 1sg8 s PRO 161 Cb -0.08 -3.20 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1sg8 s PRO 161 CO 0.01 0.58 1.26 0.42 0.04 0.00 0.00 177.00 179.31 1sg8 s ILE 162 N -1.19 2.83 0.03 0.56 1.01 0.11 -0.49 121.20 124.07 1sg8 s ILE 162 Ca 0.34 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.79 1sg8 s ILE 162 Cb -0.21 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1sg8 s ILE 162 CO 0.23 0.13 -0.00 -0.69 0.00 0.00 0.00 174.94 174.61 1sg8 s VAL 163 N -1.25 4.09 0.39 2.92 1.01 -0.48 0.20 120.40 127.29 1sg8 s VAL 163 Ca 0.53 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1sg8 s VAL 163 Cb -0.37 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 1sg8 s VAL 163 CO 0.47 0.28 1.42 -1.83 0.00 0.00 0.00 175.10 175.45 1sg8 s GLU 164 N -1.83 4.03 0.14 2.72 1.03 -1.26 -4.62 118.70 118.91 1sg8 s GLU 164 Ca 0.22 2.44 -0.30 0.00 0.03 0.00 0.00 54.97 57.35 1sg8 s GLU 164 Cb -0.12 -2.88 -0.06 0.00 -0.80 0.00 0.00 34.13 30.27 1sg8 s GLU 164 CO 0.13 -0.55 1.56 0.00 -1.33 0.00 0.00 175.26 175.08 1sg8 h ARG 165 N 2.86 -0.38 -0.95 -4.83 3.08 -1.98 -2.52 114.38 109.66 1sg8 h ARG 165 Ca -0.50 0.03 0.29 0.00 0.07 0.00 0.00 59.98 59.86 1sg8 h ARG 165 Cb 1.24 0.09 -0.16 0.00 0.08 0.00 0.00 29.97 31.22 1sg8 h ARG 165 CO 0.63 -0.25 0.25 -1.35 -1.07 0.00 0.00 179.97 178.18 1sg8 h PRO 166 N -0.40 0.10 -0.38 0.04 0.11 -1.99 0.30 132.00 129.78 1sg8 h PRO 166 Ca 0.10 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 1sg8 h PRO 166 Cb 0.61 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 1sg8 h PRO 166 CO -0.56 0.07 -0.18 0.28 -0.21 0.00 0.00 178.00 177.40 1sg8 h VAL 167 N 0.11 1.26 0.02 3.15 2.07 -1.83 -1.97 116.25 119.06 1sg8 h VAL 167 Ca 0.64 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1sg8 h VAL 167 Cb 1.41 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1sg8 h VAL 167 CO -0.77 0.42 -0.01 0.00 0.02 0.00 0.00 177.57 177.23 1sg8 h LYS 169 N -0.31 -0.46 0.00 0.00 1.63 -0.99 -0.57 116.57 115.87 1sg8 h LYS 169 Ca -0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1sg8 h LYS 169 Cb 0.30 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1sg8 h LYS 169 CO 0.01 -0.31 0.00 -0.25 -3.45 0.00 0.00 179.45 175.45 1sg8 n ASP 170 N -4.99 0.00 -1.12 4.20 8.00 -0.75 -2.74 116.55 119.15 1sg8 n ASP 170 Ca -0.05 -0.64 0.10 0.00 0.71 0.00 0.00 54.79 54.91 1sg8 n ASP 170 Cb 0.32 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.66 1sg8 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1sg8 n SER 171 N -0.87 3.53 -3.54 -2.24 3.41 -0.22 -4.99 113.62 108.70 1sg8 n SER 171 Ca 0.09 -1.97 -0.10 0.00 -0.26 0.00 0.00 58.87 56.63 1sg8 n SER 171 Cb 0.04 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1sg8 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1sg8 s THR 172 N -1.16 0.00 -0.42 6.66 -1.32 -1.11 -4.79 115.64 113.50 1sg8 s THR 172 Ca 0.39 -0.21 0.23 0.00 -1.21 0.00 0.00 61.69 60.89 1sg8 s THR 172 Cb 0.21 -1.24 -0.11 0.00 -1.51 0.00 0.00 72.50 69.85 1sg8 s THR 172 CO 0.29 0.00 0.95 0.54 -2.21 0.00 0.00 174.62 174.19 1sg8 n ARG 173 N -0.37 0.43 -1.76 7.08 1.74 -1.26 -4.92 116.66 117.60 1sg8 n ARG 173 Ca -0.12 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.55 1sg8 n ARG 173 Cb 0.63 -1.65 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1sg8 n ARG 173 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sg8 n ILE 174 N -2.20 1.69 -2.16 0.55 5.41 -1.26 -4.84 119.36 116.56 1sg8 n ILE 174 Ca 0.01 -0.42 -0.38 0.00 1.00 0.00 0.00 62.75 62.95 1sg8 n ILE 174 Cb 0.49 -1.95 -0.03 0.00 -0.71 0.00 0.00 39.64 37.44 1sg8 n ILE 174 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1sg8 n ARG 175 N 0.98 2.46 -1.51 0.38 0.63 -1.26 -4.96 116.66 113.38 1sg8 n ARG 175 Ca 0.04 -2.78 -0.42 0.00 -0.92 0.00 0.00 57.85 53.76 1sg8 n ARG 175 Cb 0.38 -3.49 0.00 0.00 0.45 0.00 0.00 32.46 29.80 1sg8 n ARG 175 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1sg8 n ILE 176 N 6.65 2.01 -4.49 5.15 2.08 -1.26 -4.91 119.36 124.60 1sg8 n ILE 176 Ca 0.48 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 63.05 1sg8 n ILE 176 Cb 0.45 -0.74 -0.10 0.00 -0.75 0.00 0.00 39.64 38.50 1sg8 n ILE 176 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1sg8 s THR 177 N -1.32 2.21 -0.09 1.39 2.01 -1.26 -5.02 115.64 113.56 1sg8 s THR 177 Ca 0.63 -2.26 0.30 0.00 0.31 0.00 0.00 61.69 60.67 1sg8 s THR 177 Cb -0.63 -2.47 0.33 0.00 0.01 0.00 0.00 72.50 69.74 1sg8 s THR 177 CO 0.58 -0.30 1.90 0.44 -0.69 0.00 0.00 174.62 176.54 1sg8 h ASP 178 N 2.17 0.00 -0.07 3.53 3.32 -2.03 -2.79 116.42 120.56 1sg8 h ASP 178 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1sg8 h ASP 178 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1sg8 h ASP 178 CO 0.66 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.77 1sg8 n ASN 179 N -2.72 1.12 -3.86 6.45 3.02 -1.26 -4.78 115.26 113.23 1sg8 n ASN 179 Ca 0.01 -2.06 -0.09 0.00 -0.03 0.00 0.00 54.58 52.40 1sg8 n ASN 179 Cb 0.24 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.99 1sg8 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sg8 s MET 180 N -1.43 1.14 0.15 3.52 0.23 -1.05 -1.32 119.30 120.54 1sg8 s MET 180 Ca 0.05 -1.01 -0.09 0.00 -1.03 0.00 0.00 55.69 53.61 1sg8 s MET 180 Cb 0.04 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1sg8 s MET 180 CO 0.02 -0.43 0.27 -0.59 -2.03 0.00 0.00 175.02 172.26 1sg8 s PHE 181 N -3.91 0.37 0.13 3.16 -0.12 -0.17 -4.79 117.98 112.65 1sg8 s PHE 181 Ca 0.12 -0.74 0.10 0.00 -0.05 0.00 0.00 56.93 56.35 1sg8 s PHE 181 Cb 0.02 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.31 1sg8 s PHE 181 CO -0.04 -0.69 -0.23 0.00 -0.05 0.00 0.00 175.22 174.21 1sg8 s ALA 183 N -1.28 0.51 0.00 0.00 0.00 -0.49 -1.38 121.76 119.11 1sg8 s ALA 183 Ca 0.12 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1sg8 s ALA 183 Cb -0.09 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1sg8 s ALA 183 CO 0.06 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1sg8 n GLY 184 N 0.09 3.29 3.82 0.00 0.00 0.36 -2.77 105.19 109.98 1sg8 n GLY 184 Ca -0.13 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1sg8 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sg8 s TYR 184 N -2.03 3.63 0.70 1.61 2.02 -1.26 -4.44 117.35 117.57 1sg8 s TYR 184 Ca 0.00 1.28 -0.12 0.00 -0.37 0.00 0.00 57.07 57.86 1sg8 s TYR 184 Cb 0.00 -2.54 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 1sg8 s TYR 184 CO 0.00 0.36 1.08 0.15 -1.57 0.00 0.00 175.55 175.57 1sg8 s LYS 185 N -1.99 2.72 0.58 -0.62 1.02 -1.26 -4.82 119.74 115.37 1sg8 s LYS 185 Ca 0.42 1.16 0.32 0.00 0.02 0.00 0.00 55.97 57.88 1sg8 s LYS 185 Cb -0.16 -1.95 1.41 0.00 -0.52 0.00 0.00 37.83 36.61 1sg8 s LYS 185 CO 0.20 -1.28 1.76 -1.00 -0.92 0.00 0.00 175.35 174.10 1sg8 h PRO 186 N -0.53 0.00 0.00 -1.68 0.13 -1.92 -2.54 132.00 125.46 1sg8 h PRO 186 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1sg8 h PRO 186 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1sg8 h PRO 186 CO 0.54 0.00 -0.46 -0.40 -0.23 0.00 0.00 178.00 177.45 1sg8 n ASP 186 N -3.81 1.74 -0.88 1.44 5.68 -1.26 -4.64 116.55 114.83 1sg8 n ASP 186 Ca 0.18 -3.64 0.08 0.00 -0.50 0.00 0.00 54.79 50.91 1sg8 n ASP 186 Cb 1.05 -0.50 0.23 0.00 -1.14 0.00 0.00 41.12 40.77 1sg8 n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1sg8 n GLU 186 N -1.05 2.11 -2.28 0.11 1.02 -0.96 -4.92 120.64 114.67 1sg8 n GLU 186 Ca 0.17 -1.71 -0.19 0.00 -0.02 0.00 0.00 57.16 55.41 1sg8 n GLU 186 Cb 0.71 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1sg8 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sg8 n GLY 186 N 1.27 -0.15 3.34 0.62 0.00 -1.26 -4.96 105.19 104.04 1sg8 n GLY 186 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1sg8 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg8 s LYS 186 N -4.84 0.67 0.26 1.61 1.02 -1.26 -5.18 119.74 112.02 1sg8 s LYS 186 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 55.97 56.30 1sg8 s LYS 186 Cb 0.00 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.61 1sg8 s LYS 186 CO 0.00 -0.15 0.11 0.54 -0.92 0.00 0.00 175.35 174.93 1sg8 n ARG 187 N 1.97 0.64 0.00 1.68 1.74 -1.26 -4.67 116.66 116.76 1sg8 n ARG 187 Ca -0.17 -2.24 0.00 0.00 -0.77 0.00 0.00 57.85 54.67 1sg8 n ARG 187 Cb 0.57 1.30 0.00 0.00 -1.02 0.00 0.00 32.46 33.30 1sg8 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sg8 n GLY 188 N 0.19 4.46 0.00 -0.13 0.00 -1.26 -4.91 105.19 103.55 1sg8 n GLY 188 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1sg8 n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sg8 n ASP 189 N 0.00 0.00 -4.88 1.61 2.03 -1.00 -4.65 116.55 109.66 1sg8 n ASP 189 Ca 0.00 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.01 1sg8 n ASP 189 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1sg8 n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sg8 s ALA 190 N -2.00 3.40 0.20 -1.67 0.00 -1.26 -0.34 121.76 120.09 1sg8 s ALA 190 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 1sg8 s ALA 190 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1sg8 s ALA 190 CO 0.00 0.01 0.13 0.00 0.00 0.00 0.00 175.76 175.90 1sg8 n GLU 192 N -0.28 0.18 0.00 0.00 -0.58 -1.26 -1.11 120.64 117.58 1sg8 n GLU 192 Ca 0.02 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1sg8 n GLU 192 Cb 0.66 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1sg8 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sg8 n GLY 193 N 4.82 1.91 0.06 0.62 0.00 -1.26 -0.95 105.19 110.40 1sg8 n GLY 193 Ca 0.36 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1sg8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sg8 n ASP 194 N 0.00 0.50 -4.35 1.61 8.00 -0.27 -3.83 116.55 118.21 1sg8 n ASP 194 Ca 0.00 0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 1sg8 n ASP 194 Cb 0.00 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 1sg8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1sg8 n SER 195 N -2.37 -2.29 0.00 -2.24 7.64 -1.26 -1.64 113.62 111.46 1sg8 n SER 195 Ca -0.01 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.69 1sg8 n SER 195 Cb 0.53 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 1sg8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sg8 n GLY 196 N 2.17 3.01 3.83 0.23 0.00 -0.52 -0.27 105.19 113.63 1sg8 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1sg8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sg8 s GLY 197 N -1.41 1.64 0.54 -0.02 0.00 -0.65 -3.41 107.32 104.01 1sg8 s GLY 197 Ca 0.00 -0.16 -0.20 0.00 0.00 0.00 0.00 44.72 44.35 1sg8 s GLY 197 CO 0.00 0.21 1.18 -4.14 0.00 0.00 0.00 173.10 170.35 1sg8 s PRO 198 N -5.18 3.32 -0.29 2.90 0.02 -1.26 -1.21 135.00 133.31 1sg8 s PRO 198 Ca 0.59 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.38 1sg8 s PRO 198 Cb -0.13 -2.10 0.09 0.00 0.02 0.00 0.00 34.50 32.38 1sg8 s PRO 198 CO 0.54 -0.91 0.05 0.12 -0.33 0.00 0.00 177.00 176.47 1sg8 s PHE 199 N -1.63 2.29 0.07 6.54 2.19 -1.06 -3.53 117.98 122.84 1sg8 s PHE 199 Ca 0.72 -1.97 0.07 0.00 0.33 0.00 0.00 56.93 56.08 1sg8 s PHE 199 Cb -0.28 -1.92 -0.04 0.00 -1.31 0.00 0.00 43.02 39.47 1sg8 s PHE 199 CO 0.32 -0.85 -0.16 0.14 1.83 0.00 0.00 175.22 176.49 1sg8 s VAL 200 N 1.42 2.94 0.04 3.12 -7.23 0.30 -1.04 120.40 119.94 1sg8 s VAL 200 Ca 0.06 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1sg8 s VAL 200 Cb -0.18 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1sg8 s VAL 200 CO -0.16 0.24 -0.16 -0.04 -0.31 0.00 0.00 175.10 174.67 1sg8 s MET 201 N -1.76 1.08 -0.11 4.82 -1.94 0.24 0.27 119.30 121.90 1sg8 s MET 201 Ca 0.17 -0.80 -0.08 0.00 -1.71 0.00 0.00 55.69 53.27 1sg8 s MET 201 Cb -0.11 -1.11 -0.04 0.00 2.01 0.00 0.00 34.83 35.58 1sg8 s MET 201 CO 0.08 0.28 0.18 0.21 -0.01 0.00 0.00 175.02 175.76 1sg8 s LYS 202 N -1.10 3.59 -0.26 2.03 2.20 -1.26 -0.73 119.74 124.21 1sg8 s LYS 202 Ca 0.03 -0.06 -0.18 0.00 -0.36 0.00 0.00 55.97 55.41 1sg8 s LYS 202 Cb -0.08 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1sg8 s LYS 202 CO 0.01 0.71 0.50 0.45 -0.36 0.00 0.00 175.35 176.67 1sg8 s SER 203 N -0.88 6.43 0.41 1.43 0.15 -0.63 -4.93 113.70 115.67 1sg8 s SER 203 Ca 0.16 0.52 0.10 0.00 0.70 0.00 0.00 55.95 57.42 1sg8 s SER 203 Cb -0.13 -2.28 0.91 0.00 -1.71 0.00 0.00 66.02 62.82 1sg8 s SER 203 CO 0.05 -0.27 1.99 -0.65 1.20 0.00 0.00 173.24 175.56 1sg8 h PRO 204 N 7.97 0.53 0.39 5.44 0.11 -1.96 0.89 132.00 145.36 1sg8 h PRO 204 Ca -0.30 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1sg8 h PRO 204 Cb 1.14 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1sg8 h PRO 204 CO 0.71 0.35 -0.36 0.35 -0.21 0.00 0.00 178.00 178.84 1sg8 h PHE 204 N 0.54 -1.00 -0.12 0.65 -0.00 -1.97 -3.33 116.94 111.71 1sg8 h PHE 204 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.24 1sg8 h PHE 204 Cb 0.35 0.38 0.00 0.00 -0.00 0.00 0.00 35.95 36.69 1sg8 h PHE 204 CO -0.00 -0.49 0.00 0.27 -0.00 0.00 0.00 178.31 178.09 1sg8 n ASN 204 N -4.59 2.37 -3.22 0.41 2.04 -1.20 -4.99 115.26 106.08 1sg8 n ASN 204 Ca -0.09 -2.06 -0.18 0.00 -0.44 0.00 0.00 54.58 51.80 1sg8 n ASN 204 Cb 0.33 -0.11 -0.02 0.00 -2.53 0.00 0.00 39.78 37.46 1sg8 n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1sg8 n ASN 205 N -0.19 -2.37 -4.95 0.53 6.94 0.31 -4.95 115.26 110.58 1sg8 n ASN 205 Ca 0.05 -0.21 -0.23 0.00 -0.02 0.00 0.00 54.58 54.18 1sg8 n ASN 205 Cb 0.34 -2.05 -0.01 0.00 -2.36 0.00 0.00 39.78 35.69 1sg8 n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1sg8 s ARG 206 N -5.83 3.45 -0.15 -3.83 0.52 -1.25 -4.77 118.95 107.09 1sg8 s ARG 206 Ca 0.31 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 54.98 1sg8 s ARG 206 Cb -0.18 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 1sg8 s ARG 206 CO 0.39 0.19 0.14 -1.58 0.02 0.00 0.00 175.30 174.46 1sg8 s TRP 207 N -2.24 3.53 -0.04 -0.53 0.52 -1.26 -1.61 118.94 117.30 1sg8 s TRP 207 Ca 0.39 0.46 0.05 0.00 0.02 0.00 0.00 56.10 57.02 1sg8 s TRP 207 Cb -0.09 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1sg8 s TRP 207 CO 0.34 0.57 -0.19 0.71 0.02 0.00 0.00 176.95 178.41 1sg8 s TYR 208 N -0.51 1.81 -0.52 -1.98 1.51 0.09 -1.88 117.35 115.88 1sg8 s TYR 208 Ca 0.12 -0.48 -0.21 0.00 -1.01 0.00 0.00 57.07 55.50 1sg8 s TYR 208 Cb -0.12 -1.20 0.05 0.00 -0.11 0.00 0.00 41.96 40.58 1sg8 s TYR 208 CO 0.02 -0.14 0.75 -1.14 -1.11 0.00 0.00 175.55 173.93 1sg8 s GLN 209 N -0.12 3.21 0.21 -0.62 0.74 -0.41 -0.59 119.66 122.08 1sg8 s GLN 209 Ca -0.01 -0.63 0.21 0.00 0.05 0.00 0.00 55.36 54.99 1sg8 s GLN 209 Cb -0.11 -4.07 0.02 0.00 1.10 0.00 0.00 33.01 29.95 1sg8 s GLN 209 CO 0.02 -1.31 1.08 0.52 -0.55 0.00 0.00 175.29 175.05 1sg8 h MET 210 N 9.11 0.00 -4.01 1.67 2.86 -1.42 -3.39 114.93 119.75 1sg8 h MET 210 Ca -0.27 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.12 1sg8 h MET 210 Cb 1.09 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 1sg8 h MET 210 CO 1.01 0.06 -0.14 0.20 1.06 0.00 0.00 176.91 179.10 1sg8 s GLY 211 N -4.42 1.39 -0.06 8.32 0.00 -0.99 -1.82 107.32 109.73 1sg8 s GLY 211 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1sg8 s GLY 211 CO 0.78 -0.93 -0.04 -0.42 0.00 0.00 0.00 173.10 172.49 1sg8 s ILE 212 N -2.97 0.56 -0.17 0.90 1.01 -0.95 -2.57 121.20 117.01 1sg8 s ILE 212 Ca 0.29 -0.09 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 1sg8 s ILE 212 Cb -0.01 -0.62 -0.09 0.00 0.01 0.00 0.00 42.46 41.75 1sg8 s ILE 212 CO 0.20 0.25 2.07 0.52 0.00 0.00 0.00 174.94 177.98 1sg8 n VAL 213 N 4.42 0.45 0.00 2.92 0.31 -0.35 -0.16 118.33 125.93 1sg8 n VAL 213 Ca -0.19 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1sg8 n VAL 213 Cb 0.51 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 1sg8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1sg8 n SER 214 N 9.02 0.00 -3.47 4.52 2.88 -0.67 -1.43 113.62 124.47 1sg8 n SER 214 Ca 0.28 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.72 1sg8 n SER 214 Cb 0.34 -0.33 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1sg8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1sg8 s TRP 215 N -0.83 0.40 -0.14 0.66 1.48 -1.01 -4.86 118.94 114.63 1sg8 s TRP 215 Ca 0.00 -0.83 -0.31 0.00 -1.06 0.00 0.00 56.10 53.90 1sg8 s TRP 215 Cb 0.00 0.38 0.13 0.00 -1.16 0.00 0.00 33.47 32.82 1sg8 s TRP 215 CO 0.00 -1.24 1.07 0.20 -4.06 0.00 0.00 176.95 172.92 1sg8 s GLY 216 N -3.08 -0.28 -0.99 3.67 0.00 -1.26 0.33 107.32 105.72 1sg8 s GLY 216 Ca 0.21 1.76 -0.17 0.00 0.00 0.00 0.00 44.72 46.53 1sg8 s GLY 216 CO 0.12 0.74 1.15 -0.54 0.00 0.00 0.00 173.10 174.57 1sg8 s GLU 217 N -1.94 3.74 1.49 2.90 2.02 -1.26 -4.89 118.70 120.76 1sg8 s GLU 217 Ca 0.04 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.92 1sg8 s GLU 217 Cb -0.01 -4.87 0.00 0.00 0.10 0.00 0.00 34.13 29.36 1sg8 s GLU 217 CO -0.04 -1.68 0.00 0.41 0.02 0.00 0.00 175.26 173.97 1sg8 n GLY 219 N 4.85 -0.78 2.86 -1.39 0.00 -1.26 -4.81 105.19 104.66 1sg8 n GLY 219 Ca 0.25 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 1sg8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sg8 n ASP 221 N 4.67 -5.52 -4.76 0.00 2.03 -1.26 -4.65 116.55 107.05 1sg8 n ASP 221 Ca -0.18 -0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 1sg8 n ASP 221 Cb 0.51 -4.60 -0.06 0.00 -0.72 0.00 0.00 41.12 36.25 1sg8 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sg8 s ARG 221 N -5.11 4.71 0.14 -0.67 0.52 -1.26 -4.90 118.95 112.37 1sg8 s ARG 221 Ca 0.03 1.33 -0.31 0.00 -0.52 0.00 0.00 55.73 56.26 1sg8 s ARG 221 Cb -0.01 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 32.09 1sg8 s ARG 221 CO 0.04 0.49 1.34 -0.51 0.02 0.00 0.00 175.30 176.67 1sg8 s ASP 222 N -0.95 6.88 0.00 0.23 1.11 -1.26 -1.97 116.67 120.71 1sg8 s ASP 222 Ca 0.40 2.32 0.00 0.00 0.18 0.00 0.00 52.55 55.45 1sg8 s ASP 222 Cb -0.24 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.15 1sg8 s ASP 222 CO 0.29 -0.59 0.00 0.61 1.18 0.00 0.00 175.17 176.66 1sg8 n GLY 223 N 3.04 1.27 3.53 0.21 0.00 -1.26 -4.96 105.19 107.02 1sg8 n GLY 223 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1sg8 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sg8 s LYS 224 N -0.58 1.93 0.03 1.61 3.01 -0.83 -4.77 119.74 120.13 1sg8 s LYS 224 Ca 0.00 -1.16 0.01 0.00 -1.01 0.00 0.00 55.97 53.81 1sg8 s LYS 224 Cb 0.00 -2.17 -0.02 0.00 -1.01 0.00 0.00 37.83 34.63 1sg8 s LYS 224 CO 0.00 0.48 -0.05 0.71 0.51 0.00 0.00 175.35 177.00 1sg8 s TYR 225 N -1.28 0.43 0.31 3.18 2.02 -1.26 -4.60 117.35 116.15 1sg8 s TYR 225 Ca 0.20 -0.44 -0.27 0.00 -0.37 0.00 0.00 57.07 56.20 1sg8 s TYR 225 Cb -0.10 -0.27 -0.10 0.00 -0.40 0.00 0.00 41.96 41.09 1sg8 s TYR 225 CO 0.12 -0.12 0.97 0.20 -1.57 0.00 0.00 175.55 175.15 1sg8 s GLY 226 N -1.29 2.87 -0.01 0.71 0.00 -1.11 -4.65 107.32 103.83 1sg8 s GLY 226 Ca -0.11 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1sg8 s GLY 226 CO -0.00 1.06 0.05 -1.36 0.00 0.00 0.00 173.10 172.85 1sg8 s PHE 227 N -1.51 3.21 0.03 1.90 0.40 0.15 -1.40 117.98 120.76 1sg8 s PHE 227 Ca 0.49 0.16 0.06 0.00 -0.60 0.00 0.00 56.93 57.04 1sg8 s PHE 227 Cb -0.21 -1.72 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 1sg8 s PHE 227 CO 0.27 0.52 -0.17 0.71 0.70 0.00 0.00 175.22 177.25 1sg8 s TYR 228 N -1.14 1.51 0.07 0.36 1.51 0.22 -1.67 117.35 118.21 1sg8 s TYR 228 Ca 0.21 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.62 1sg8 s TYR 228 Cb -0.12 -0.91 -0.07 0.00 -0.11 0.00 0.00 41.96 40.76 1sg8 s TYR 228 CO 0.12 0.05 1.37 0.99 -1.11 0.00 0.00 175.55 176.98 1sg8 s THR 229 N -0.76 3.53 -0.85 -0.71 2.01 0.78 -1.00 115.64 118.64 1sg8 s THR 229 Ca 0.05 1.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.85 1sg8 s THR 229 Cb -0.08 -3.67 -0.00 0.00 0.01 0.00 0.00 72.50 68.75 1sg8 s THR 229 CO 0.01 0.05 1.70 -2.28 -0.69 0.00 0.00 174.62 173.41 1sg8 s HIS 230 N 1.56 2.04 0.16 4.92 2.46 -0.44 -2.25 115.29 123.74 1sg8 s HIS 230 Ca 0.64 0.17 -0.17 0.00 0.47 0.00 0.00 55.06 56.17 1sg8 s HIS 230 Cb -0.34 -4.31 0.07 0.00 -0.13 0.00 0.00 32.58 27.87 1sg8 s HIS 230 CO 0.29 -1.97 1.71 0.28 -2.47 0.00 0.00 174.74 172.58 1sg8 h VAL 231 N 6.88 0.75 -0.31 0.89 2.07 -1.67 -2.60 116.25 122.26 1sg8 h VAL 231 Ca -0.01 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1sg8 h VAL 231 Cb 1.05 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1sg8 h VAL 231 CO 1.28 0.02 0.18 0.15 0.02 0.00 0.00 177.57 179.22 1sg8 h PHE 232 N 0.11 0.33 0.00 1.57 3.57 -1.86 -0.13 116.94 120.52 1sg8 h PHE 232 Ca 0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1sg8 h PHE 232 Cb 0.23 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1sg8 h PHE 232 CO -0.24 0.19 0.02 0.54 -2.23 0.00 0.00 178.31 176.60 1sg8 n ARG 233 N -4.92 0.10 -0.03 1.11 1.74 -1.00 -0.94 116.66 112.72 1sg8 n ARG 233 Ca -0.01 0.59 0.01 0.00 -0.77 0.00 0.00 57.85 57.68 1sg8 n ARG 233 Cb 0.06 -1.86 0.03 0.00 -1.02 0.00 0.00 32.46 29.67 1sg8 n ARG 233 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1sg8 n LEU 234 N -2.05 2.14 -0.27 0.55 4.77 -0.39 -4.73 117.00 117.02 1sg8 n LEU 234 Ca -0.01 -2.05 -0.03 0.00 -0.03 0.00 0.00 56.01 53.89 1sg8 n LEU 234 Cb 0.05 -0.05 0.14 0.00 -2.33 0.00 0.00 43.42 41.22 1sg8 n LEU 234 CO 0.07 0.54 1.14 0.50 -1.33 0.00 0.00 177.39 178.31 1sg8 h LYS 235 N 0.26 1.12 -0.69 3.23 3.64 0.69 -2.21 116.57 122.61 1sg8 h LYS 235 Ca 0.00 -0.14 0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1sg8 h LYS 235 Cb 0.56 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1sg8 h LYS 235 CO 0.00 0.84 0.46 0.87 -2.27 0.00 0.00 179.45 179.35 1sg8 h LYS 236 N 1.12 0.76 -0.24 1.90 6.56 -1.85 0.20 116.57 125.03 1sg8 h LYS 236 Ca 0.28 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.77 1sg8 h LYS 236 Cb 0.07 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 1sg8 h LYS 236 CO -0.04 0.50 -0.07 2.35 -2.06 0.00 0.00 179.45 180.13 1sg8 h TRP 237 N 0.78 0.53 -0.35 -1.35 7.01 -1.76 -1.01 115.95 119.81 1sg8 h TRP 237 Ca 0.28 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 61.20 1sg8 h TRP 237 Cb 0.14 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 1sg8 h TRP 237 CO -0.00 0.71 0.13 0.82 -2.79 0.00 0.00 178.44 177.30 1sg8 h ILE 238 N 0.21 0.91 0.00 2.65 2.04 -0.88 0.01 117.51 122.45 1sg8 h ILE 238 Ca 0.06 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1sg8 h ILE 238 Cb 0.54 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1sg8 h ILE 238 CO 0.03 0.05 -0.12 1.56 0.00 0.00 0.00 178.15 179.67 1sg8 h GLN 239 N 0.28 0.00 -0.28 2.37 4.20 -0.56 -1.62 115.11 119.50 1sg8 h GLN 239 Ca 0.16 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.68 1sg8 h GLN 239 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1sg8 h GLN 239 CO -0.16 0.12 -0.57 -0.22 -0.67 0.00 0.00 178.83 177.33 1sg8 h LYS 240 N 0.00 0.88 0.02 1.46 1.63 0.38 -2.99 116.57 117.95 1sg8 h LYS 240 Ca -0.00 -0.57 -0.27 0.00 -0.85 0.00 0.00 60.65 58.96 1sg8 h LYS 240 Cb 0.29 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 1sg8 h LYS 240 CO 0.02 1.21 -1.44 -0.39 -3.45 0.00 0.00 179.45 175.39 1sg8 h VAL 241 N 0.67 1.19 -0.34 2.00 -1.51 -1.04 -3.16 116.25 114.06 1sg8 h VAL 241 Ca 0.01 -2.96 -0.07 0.00 -1.23 0.00 0.00 66.70 62.45 1sg8 h VAL 241 Cb 1.18 2.63 -0.01 0.00 -2.13 0.00 0.00 31.29 32.96 1sg8 h VAL 241 CO 0.13 0.72 -0.07 0.40 -1.23 0.00 0.00 177.57 177.52 1sg8 h ILE 242 N 0.01 1.28 0.00 7.19 2.04 -1.39 1.32 117.51 127.96 1sg8 h ILE 242 Ca -0.19 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 1sg8 h ILE 242 Cb 1.93 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 39.31 1sg8 h ILE 242 CO 0.11 0.36 -0.34 -2.24 0.00 0.00 0.00 178.15 176.04 1sg8 h ASP 243 N 0.43 0.00 0.00 1.72 2.03 -1.69 -3.38 116.42 115.53 1sg8 h ASP 243 Ca 0.09 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.16 1sg8 h ASP 243 Cb 0.56 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.02 1sg8 h ASP 243 CO 0.03 0.28 -1.69 1.67 -1.03 0.00 0.00 179.24 178.51 1sg8 n GLN 244 N -3.15 0.47 -0.96 4.15 7.27 -1.19 -5.12 117.38 118.85 1sg8 n GLN 244 Ca 0.02 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.29 1sg8 n GLN 244 Cb 0.65 -1.31 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1sg8 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32