#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ai8 s VAL 17 N 0.00 3.94 -1.03 1.39 1.01 0.81 -3.99 120.40 122.53 1ai8 s VAL 17 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ai8 s VAL 17 Cb 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ai8 s VAL 17 CO 0.00 0.47 0.27 -0.62 0.00 0.00 0.00 175.10 175.23 1ai8 n GLU 18 N 3.73 -2.50 0.00 2.72 -0.58 -1.26 -2.11 120.64 120.64 1ai8 n GLU 18 Ca -0.17 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 1ai8 n GLU 18 Cb 0.52 -4.79 0.00 0.00 -0.57 0.00 0.00 31.44 26.60 1ai8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ai8 n GLY 19 N -1.17 1.54 3.24 0.62 0.00 -1.26 -4.67 105.19 103.49 1ai8 n GLY 19 Ca -0.10 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1ai8 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ai8 s SER 20 N -1.00 0.12 0.33 1.61 1.04 -0.37 -4.93 113.70 110.50 1ai8 s SER 20 Ca 0.00 -0.77 -0.29 0.00 0.48 0.00 0.00 55.95 55.37 1ai8 s SER 20 Cb 0.00 0.36 -0.11 0.00 0.10 0.00 0.00 66.02 66.37 1ai8 s SER 20 CO 0.00 -0.77 1.49 -1.81 0.98 0.00 0.00 173.24 173.13 1ai8 s ASP 21 N -2.91 6.44 0.49 7.02 1.01 -1.26 -0.79 116.67 126.67 1ai8 s ASP 21 Ca 0.10 2.93 -0.20 0.00 0.71 0.00 0.00 52.55 56.10 1ai8 s ASP 21 Cb 0.05 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.24 1ai8 s ASP 21 CO -0.07 -0.83 1.03 0.00 0.21 0.00 0.00 175.17 175.51 1ai8 s ALA 22 N -0.65 2.89 0.60 5.23 0.00 0.58 -4.78 121.76 125.63 1ai8 s ALA 22 Ca 0.56 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1ai8 s ALA 22 Cb -0.46 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 1ai8 s ALA 22 CO 0.55 -0.29 1.02 -1.21 0.00 0.00 0.00 175.76 175.84 1ai8 s GLU 23 N -3.32 3.59 0.10 0.00 2.02 -1.26 -4.93 118.70 114.90 1ai8 s GLU 23 Ca 0.66 0.86 -0.31 0.00 0.02 0.00 0.00 54.97 56.20 1ai8 s GLU 23 Cb -0.15 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 1ai8 s GLU 23 CO 0.21 -0.58 1.60 0.42 0.02 0.00 0.00 175.26 176.93 1ai8 s ILE 24 N -2.97 2.93 -0.92 -1.63 -1.09 -1.26 -2.26 121.20 114.00 1ai8 s ILE 24 Ca 0.57 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1ai8 s ILE 24 Cb -0.11 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.43 1ai8 s ILE 24 CO 0.47 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1ai8 n GLY 25 N 3.88 0.98 0.15 6.18 0.00 -1.26 -4.91 105.19 110.20 1ai8 n GLY 25 Ca 0.15 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.48 1ai8 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ai8 h MET 26 N 0.00 0.17 -2.02 1.61 -1.53 -1.82 -3.37 114.93 107.97 1ai8 h MET 26 Ca -0.18 -0.14 -0.54 0.00 -3.44 0.00 0.00 59.70 55.39 1ai8 h MET 26 Cb 0.61 0.03 -0.40 0.00 -0.55 0.00 0.00 31.60 31.30 1ai8 h MET 26 CO 0.26 0.80 -1.08 0.45 0.14 0.00 0.00 176.91 177.48 1ai8 n SER 27 N -3.78 0.75 0.05 1.39 2.88 -1.26 -4.98 113.62 108.66 1ai8 n SER 27 Ca -0.02 -2.86 0.09 0.00 -1.33 0.00 0.00 58.87 54.74 1ai8 n SER 27 Cb 0.68 -0.63 0.38 0.00 -0.75 0.00 0.00 64.21 63.88 1ai8 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ai8 n PRO 28 N 1.01 0.07 0.00 -1.46 -0.04 -1.26 -0.17 135.00 133.15 1ai8 n PRO 28 Ca 0.23 0.31 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1ai8 n PRO 28 Cb 0.55 -1.63 0.57 0.00 -0.04 0.00 0.00 33.50 32.95 1ai8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ai8 n TRP 29 N -1.76 0.00 -1.89 0.54 2.14 -0.82 -1.41 117.44 114.24 1ai8 n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 1ai8 n TRP 29 Cb 0.19 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1ai8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ai8 s GLN 30 N -2.31 4.19 0.01 -2.67 2.00 0.76 -0.82 119.66 120.83 1ai8 s GLN 30 Ca 0.32 2.43 0.05 0.00 -2.00 0.00 0.00 55.36 56.16 1ai8 s GLN 30 Cb 0.20 -3.10 -0.02 0.00 0.80 0.00 0.00 33.01 30.89 1ai8 s GLN 30 CO 0.44 -0.59 -0.14 0.08 -0.50 0.00 0.00 175.29 174.58 1ai8 s VAL 31 N 0.63 1.12 -0.21 1.34 1.01 -0.51 -3.81 120.40 119.97 1ai8 s VAL 31 Ca 0.67 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1ai8 s VAL 31 Cb -0.45 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1ai8 s VAL 31 CO 0.38 0.17 -0.00 -0.32 0.00 0.00 0.00 175.10 175.32 1ai8 s MET 32 N -0.71 3.58 -0.26 2.72 1.75 -0.45 -0.27 119.30 125.66 1ai8 s MET 32 Ca 0.04 -0.53 -0.24 0.00 -1.25 0.00 0.00 55.69 53.70 1ai8 s MET 32 Cb -0.07 -3.08 -0.00 0.00 2.84 0.00 0.00 34.83 34.52 1ai8 s MET 32 CO 0.00 -0.03 0.82 -0.51 -0.65 0.00 0.00 175.02 174.65 1ai8 s LEU 33 N 1.12 4.08 -0.08 4.11 1.43 0.19 -0.99 118.68 128.52 1ai8 s LEU 33 Ca 0.02 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1ai8 s LEU 33 Cb -0.14 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 42.92 1ai8 s LEU 33 CO 0.01 -0.54 -0.19 0.12 0.23 0.00 0.00 176.35 175.99 1ai8 s PHE 34 N 2.87 2.05 -0.06 0.29 5.36 0.40 -0.27 117.98 128.62 1ai8 s PHE 34 Ca 0.34 -0.80 -0.27 0.00 -0.96 0.00 0.00 56.93 55.24 1ai8 s PHE 34 Cb -0.15 -1.41 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1ai8 s PHE 34 CO 0.08 -0.35 0.87 0.50 -1.46 0.00 0.00 175.22 174.87 1ai8 s ARG 35 N 0.46 4.46 0.31 10.12 3.52 0.11 -0.78 118.95 137.16 1ai8 s ARG 35 Ca -0.16 1.18 0.03 0.00 -0.13 0.00 0.00 55.73 56.65 1ai8 s ARG 35 Cb -0.17 -3.48 0.52 0.00 -1.56 0.00 0.00 34.95 30.26 1ai8 s ARG 35 CO 0.06 -0.09 1.84 0.87 -0.81 0.00 0.00 175.30 177.17 1ai8 h LYS 36 N 6.91 0.59 -1.33 5.12 1.57 -1.75 -2.39 116.57 125.30 1ai8 h LYS 36 Ca -0.38 -0.14 0.14 0.00 -1.87 0.00 0.00 60.65 58.40 1ai8 h LYS 36 Cb 1.19 -0.08 -0.22 0.00 0.08 0.00 0.00 32.23 33.20 1ai8 h LYS 36 CO 0.78 0.62 0.07 0.45 -0.57 0.00 0.00 179.45 180.80 1ai8 s SER 37 N -6.71 -0.81 0.65 0.86 0.15 -1.26 -3.88 113.70 102.70 1ai8 s SER 37 Ca -0.08 1.05 -0.18 0.00 0.70 0.00 0.00 55.95 57.45 1ai8 s SER 37 Cb 0.15 1.90 -0.01 0.00 -1.71 0.00 0.00 66.02 66.36 1ai8 s SER 37 CO 0.78 -0.15 1.28 -2.16 1.20 0.00 0.00 173.24 174.18 1ai8 s PRO 37 N 2.65 2.53 -0.45 5.44 0.04 -1.26 -5.05 135.00 138.90 1ai8 s PRO 37 Ca -0.03 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 1ai8 s PRO 37 Cb -0.09 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.62 1ai8 s PRO 37 CO -0.18 -1.60 1.33 -0.65 0.04 0.00 0.00 177.00 175.94 1ai8 s GLN 38 N -3.44 3.59 0.11 4.56 -0.21 -1.24 -4.63 119.66 118.39 1ai8 s GLN 38 Ca 0.81 0.77 -0.20 0.00 0.02 0.00 0.00 55.36 56.76 1ai8 s GLN 38 Cb -0.36 -4.00 0.05 0.00 1.00 0.00 0.00 33.01 29.70 1ai8 s GLN 38 CO 0.40 -1.56 0.49 -1.83 -2.12 0.00 0.00 175.29 170.66 1ai8 s GLU 39 N 4.87 1.11 0.12 2.91 -1.05 -0.90 -4.97 118.70 120.79 1ai8 s GLU 39 Ca 0.56 -0.51 -0.30 0.00 -0.15 0.00 0.00 54.97 54.57 1ai8 s GLU 39 Cb -0.11 0.50 -0.07 0.00 -0.44 0.00 0.00 34.13 34.01 1ai8 s GLU 39 CO 0.32 -0.44 1.14 -1.17 0.95 0.00 0.00 175.26 176.06 1ai8 s LEU 40 N -2.55 4.43 -0.17 1.83 0.20 -1.26 0.08 118.68 121.23 1ai8 s LEU 40 Ca 0.00 2.05 -0.05 0.00 0.69 0.00 0.00 54.13 56.81 1ai8 s LEU 40 Cb 0.00 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 42.08 1ai8 s LEU 40 CO -0.09 -0.34 -0.20 0.18 -0.29 0.00 0.00 176.35 175.61 1ai8 n LEU 41 N 3.09 1.84 -3.84 -0.68 4.77 0.63 -4.88 117.00 117.94 1ai8 n LEU 41 Ca 0.06 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1ai8 n LEU 41 Cb 0.46 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1ai8 n LEU 41 CO 0.55 0.51 0.75 0.00 -1.33 0.00 0.00 177.39 177.86 1ai8 s GLY 43 N -3.23 1.81 0.19 0.00 0.00 0.11 -0.64 107.32 105.55 1ai8 s GLY 43 Ca 0.18 -1.58 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 1ai8 s GLY 43 CO 0.05 -1.20 0.91 0.00 0.00 0.00 0.00 173.10 172.86 1ai8 n ALA 44 N -2.44 -2.33 -3.13 3.20 0.00 0.63 -3.40 120.51 113.04 1ai8 n ALA 44 Ca 0.11 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1ai8 n ALA 44 Cb 0.60 0.56 -0.11 0.00 0.00 0.00 0.00 19.45 20.51 1ai8 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ai8 s SER 45 N -3.17 -0.14 -0.27 0.00 1.04 0.12 -1.42 113.70 109.87 1ai8 s SER 45 Ca 0.20 0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.58 1ai8 s SER 45 Cb -0.03 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 1ai8 s SER 45 CO 0.06 -0.25 0.62 -0.22 0.98 0.00 0.00 173.24 174.42 1ai8 s LEU 46 N -0.68 4.09 0.00 2.42 2.96 -0.00 -0.17 118.68 127.30 1ai8 s LEU 46 Ca -0.08 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.52 1ai8 s LEU 46 Cb -0.04 -2.82 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 1ai8 s LEU 46 CO 0.01 -0.39 0.52 2.30 -1.32 0.00 0.00 176.35 177.47 1ai8 n ILE 47 N 5.25 0.00 -3.80 6.68 -5.35 -0.69 -1.48 119.36 119.97 1ai8 n ILE 47 Ca -0.01 -0.38 -0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1ai8 n ILE 47 Cb 0.49 1.07 0.02 0.00 -1.74 0.00 0.00 39.64 39.48 1ai8 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ai8 n SER 48 N -0.57 -1.51 0.00 7.28 3.41 -1.20 -4.75 113.62 116.28 1ai8 n SER 48 Ca 0.03 -1.83 0.12 0.00 -0.26 0.00 0.00 58.87 56.93 1ai8 n SER 48 Cb 0.17 2.47 0.67 0.00 -0.26 0.00 0.00 64.21 67.26 1ai8 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ai8 n ASP 49 N -1.21 0.00 0.00 4.04 5.75 -1.26 -3.65 116.55 120.21 1ai8 n ASP 49 Ca -0.03 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.38 1ai8 n ASP 49 Cb 0.49 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1ai8 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ai8 n ARG 50 N -1.16 0.00 -4.73 0.11 1.74 -1.26 -0.58 116.66 110.78 1ai8 n ARG 50 Ca 0.15 -0.31 -0.25 0.00 -0.77 0.00 0.00 57.85 56.66 1ai8 n ARG 50 Cb 0.15 -0.45 -0.16 0.00 -1.02 0.00 0.00 32.46 30.97 1ai8 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ai8 s TRP 51 N 0.00 1.61 -0.05 -1.55 0.52 -1.24 -0.71 118.94 117.52 1ai8 s TRP 51 Ca 0.00 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.63 1ai8 s TRP 51 Cb 0.00 -1.13 -0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1ai8 s TRP 51 CO 0.00 -0.23 -0.19 0.08 0.02 0.00 0.00 176.95 176.64 1ai8 s VAL 52 N 0.34 1.57 -0.10 4.03 1.01 -0.31 -1.70 120.40 125.23 1ai8 s VAL 52 Ca -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1ai8 s VAL 52 Cb -0.14 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1ai8 s VAL 52 CO 0.03 0.45 0.07 -0.22 0.00 0.00 0.00 175.10 175.43 1ai8 s LEU 53 N 0.09 3.95 0.39 3.92 2.96 0.76 -0.22 118.68 130.54 1ai8 s LEU 53 Ca -0.06 0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 54.02 1ai8 s LEU 53 Cb -0.13 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.67 1ai8 s LEU 53 CO 0.03 0.39 0.73 0.28 -1.32 0.00 0.00 176.35 176.47 1ai8 s THR 54 N -0.96 0.00 0.07 3.68 -1.32 -0.36 -0.70 115.64 116.06 1ai8 s THR 54 Ca 0.14 -1.13 -0.25 0.00 -1.21 0.00 0.00 61.69 59.24 1ai8 s THR 54 Cb -0.12 -2.91 -0.06 0.00 -1.51 0.00 0.00 72.50 67.90 1ai8 s THR 54 CO 0.03 0.00 0.78 0.00 -2.21 0.00 0.00 174.62 173.22 1ai8 s ALA 55 N -2.31 3.38 0.40 11.08 0.00 -1.26 -0.82 121.76 132.24 1ai8 s ALA 55 Ca 0.19 0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.59 1ai8 s ALA 55 Cb -0.04 -3.01 0.96 0.00 0.00 0.00 0.00 23.12 21.03 1ai8 s ALA 55 CO 0.14 0.10 1.92 0.00 0.00 0.00 0.00 175.76 177.93 1ai8 h ALA 56 N 5.40 1.98 0.00 0.00 0.00 -1.68 -1.87 119.26 123.09 1ai8 h ALA 56 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ai8 h ALA 56 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ai8 h ALA 56 CO 0.70 -0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.39 1ai8 n HIS 57 N -4.49 0.00 0.37 0.00 1.44 -1.26 -0.91 115.22 110.37 1ai8 n HIS 57 Ca 0.14 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.98 1ai8 n HIS 57 Cb 0.45 -0.42 0.32 0.00 0.12 0.00 0.00 29.99 30.45 1ai8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ai8 n LEU 59 N -2.77 1.48 -3.66 0.00 4.77 -0.70 -4.92 117.00 111.21 1ai8 n LEU 59 Ca 0.04 -0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.77 1ai8 n LEU 59 Cb 0.46 -0.07 -0.18 0.00 -2.33 0.00 0.00 43.42 41.30 1ai8 n LEU 59 CO 0.31 0.41 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.22 1ai8 s LEU 60 N -5.01 0.29 0.17 2.23 2.96 -0.09 -0.90 118.68 118.33 1ai8 s LEU 60 Ca -0.08 -0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 1ai8 s LEU 60 Cb 0.03 -0.22 0.04 0.00 0.50 0.00 0.00 46.19 46.54 1ai8 s LEU 60 CO 0.24 -0.29 0.52 -0.47 -1.32 0.00 0.00 176.35 175.04 1ai8 s TYR 60 N 2.13 -0.26 0.00 5.38 5.04 0.11 -4.05 117.35 125.71 1ai8 s TYR 60 Ca 0.04 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1ai8 s TYR 60 Cb -0.14 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1ai8 s TYR 60 CO -0.06 -0.86 0.00 -2.30 -1.34 0.00 0.00 175.55 170.99 1ai8 n PRO 60 N -0.33 0.00 -0.15 4.97 -0.02 -1.26 -1.92 135.00 136.29 1ai8 n PRO 60 Ca -0.13 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1ai8 n PRO 60 Cb 0.63 -0.54 0.14 0.00 -0.02 0.00 0.00 33.50 33.71 1ai8 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ai8 n TRP 60 N -0.03 0.28 -3.87 6.00 8.01 -1.26 -4.97 117.44 121.59 1ai8 n TRP 60 Ca 0.00 -0.78 -0.29 0.00 -1.31 0.00 0.00 57.50 55.11 1ai8 n TRP 60 Cb 0.00 -0.15 0.03 0.00 -2.01 0.00 0.00 31.31 29.19 1ai8 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ai8 n ASP 60 N -0.73 -5.04 -4.64 -0.99 8.00 -1.07 -4.97 116.55 107.11 1ai8 n ASP 60 Ca 0.13 -0.75 -0.37 0.00 0.71 0.00 0.00 54.79 54.51 1ai8 n ASP 60 Cb 0.57 -4.04 -0.10 0.00 -0.02 0.00 0.00 41.12 37.54 1ai8 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ai8 s LYS 60 N -6.58 4.04 -0.48 -1.24 2.20 -0.81 -4.98 119.74 111.89 1ai8 s LYS 60 Ca 0.66 -0.25 0.05 0.00 -0.36 0.00 0.00 55.97 56.06 1ai8 s LYS 60 Cb -0.32 -3.57 0.20 0.00 -1.51 0.00 0.00 37.83 32.62 1ai8 s LYS 60 CO 0.82 -0.02 0.82 -1.71 -0.36 0.00 0.00 175.35 174.90 1ai8 n ASN 60 N 4.53 -3.04 -4.78 1.43 2.85 -1.23 0.07 115.26 115.09 1ai8 n ASN 60 Ca -0.14 -2.63 -0.38 0.00 -0.11 0.00 0.00 54.58 51.33 1ai8 n ASN 60 Cb 0.52 1.58 -0.05 0.00 1.24 0.00 0.00 39.78 43.07 1ai8 n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ai8 s PHE 60 N 0.85 3.50 0.32 1.20 0.08 -0.08 -5.02 117.98 118.83 1ai8 s PHE 60 Ca 0.29 1.71 0.07 0.00 0.12 0.00 0.00 56.93 59.12 1ai8 s PHE 60 Cb 0.05 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 1ai8 s PHE 60 CO -0.08 -0.30 0.31 -0.08 -0.10 0.00 0.00 175.22 174.97 1ai8 s THR 60 N -1.52 3.82 0.22 0.64 -1.32 -1.26 -4.93 115.64 111.29 1ai8 s THR 60 Ca 0.52 -1.30 -0.10 0.00 -1.21 0.00 0.00 61.69 59.60 1ai8 s THR 60 Cb -0.23 -3.28 0.24 0.00 -1.51 0.00 0.00 72.50 67.72 1ai8 s THR 60 CO 0.29 -0.21 1.64 -0.33 -2.21 0.00 0.00 174.62 173.81 1ai8 h GLU 61 N 1.23 0.08 0.00 7.08 3.07 -1.94 -1.08 114.58 123.01 1ai8 h GLU 61 Ca -0.46 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1ai8 h GLU 61 Cb 1.25 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 1ai8 h GLU 61 CO 0.58 0.05 0.00 0.09 -1.40 0.00 0.00 179.01 178.33 1ai8 n ASN 62 N -5.35 0.00 0.04 1.42 3.02 -1.26 -1.25 115.26 111.88 1ai8 n ASN 62 Ca 0.10 -1.15 0.12 0.00 -0.03 0.00 0.00 54.58 53.63 1ai8 n ASN 62 Cb 0.39 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.81 1ai8 n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ai8 n ASP 63 N -0.84 0.58 -4.40 6.41 8.00 -0.41 -4.95 116.55 120.95 1ai8 n ASP 63 Ca 0.14 0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.49 1ai8 n ASP 63 Cb 0.06 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 1ai8 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ai8 s LEU 64 N -3.73 2.53 0.04 0.64 1.43 -0.38 -2.21 118.68 116.99 1ai8 s LEU 64 Ca 0.09 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1ai8 s LEU 64 Cb 0.15 -0.70 -0.02 0.00 0.03 0.00 0.00 46.19 45.65 1ai8 s LEU 64 CO 0.69 -0.23 0.00 -0.76 0.23 0.00 0.00 176.35 176.28 1ai8 s LEU 65 N -3.39 2.22 -0.11 1.79 1.43 0.04 -4.46 118.68 116.20 1ai8 s LEU 65 Ca 0.26 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1ai8 s LEU 65 Cb 0.01 0.26 0.01 0.00 0.03 0.00 0.00 46.19 46.51 1ai8 s LEU 65 CO 0.10 -0.46 -0.16 -0.69 0.23 0.00 0.00 176.35 175.36 1ai8 s VAL 66 N -2.64 1.58 -0.22 -1.59 1.01 -0.56 -0.45 120.40 117.52 1ai8 s VAL 66 Ca -0.05 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1ai8 s VAL 66 Cb -0.01 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1ai8 s VAL 66 CO -0.05 0.46 -0.04 -0.13 0.00 0.00 0.00 175.10 175.34 1ai8 s ARG 67 N 0.91 3.34 -0.04 2.72 0.52 -0.17 -0.02 118.95 126.22 1ai8 s ARG 67 Ca -0.08 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.51 1ai8 s ARG 67 Cb -0.15 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 1ai8 s ARG 67 CO -0.01 -0.22 -0.12 0.42 0.02 0.00 0.00 175.30 175.40 1ai8 s ILE 68 N 1.47 3.25 0.00 1.52 1.01 0.50 -1.34 121.20 127.62 1ai8 s ILE 68 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1ai8 s ILE 68 Cb -0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1ai8 s ILE 68 CO -0.03 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.06 1ai8 n GLY 69 N 2.11 0.49 3.91 6.18 0.00 -1.25 0.06 105.19 116.70 1ai8 n GLY 69 Ca -0.17 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 1ai8 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ai8 s LYS 70 N -3.22 3.55 0.19 1.61 1.02 -1.26 -4.26 119.74 117.36 1ai8 s LYS 70 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.06 1ai8 s LYS 70 Cb 0.00 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1ai8 s LYS 70 CO 0.00 -0.08 0.00 1.58 -0.92 0.00 0.00 175.35 175.93 1ai8 n HIS 71 N -2.00 -1.27 -2.18 3.18 -0.00 -1.26 -4.93 115.22 106.76 1ai8 n HIS 71 Ca -0.01 0.22 -0.41 0.00 -0.00 0.00 0.00 57.72 57.53 1ai8 n HIS 71 Cb 0.55 0.31 -0.02 0.00 -0.00 0.00 0.00 29.99 30.82 1ai8 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ai8 s SER 72 N -5.45 6.86 -0.01 0.26 0.15 -1.26 0.03 113.70 114.29 1ai8 s SER 72 Ca 0.00 2.61 -0.25 0.00 0.70 0.00 0.00 55.95 59.01 1ai8 s SER 72 Cb 0.00 -2.64 -0.19 0.00 -1.71 0.00 0.00 66.02 61.48 1ai8 s SER 72 CO 0.00 -0.47 1.26 -0.09 1.20 0.00 0.00 173.24 175.14 1ai8 h ARG 73 N 3.51 -0.10 0.00 5.44 2.43 -1.08 -3.40 114.38 121.18 1ai8 h ARG 73 Ca -0.48 0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.35 1ai8 h ARG 73 Cb 1.22 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1ai8 h ARG 73 CO 0.66 0.31 -2.29 0.25 -1.51 0.00 0.00 179.97 177.39 1ai8 n THR 74 N -4.94 1.27 -2.19 0.20 -2.24 -1.26 -4.99 114.28 100.13 1ai8 n THR 74 Ca -0.08 -0.79 -0.37 0.00 -2.27 0.00 0.00 64.05 60.54 1ai8 n THR 74 Cb 0.24 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1ai8 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ai8 s ARG 75 N -2.47 3.52 -0.40 -0.78 3.00 -1.26 -4.96 118.95 115.59 1ai8 s ARG 75 Ca -0.09 1.78 -0.25 0.00 0.00 0.00 0.00 55.73 57.17 1ai8 s ARG 75 Cb 0.06 -2.25 0.02 0.00 0.00 0.00 0.00 34.95 32.78 1ai8 s ARG 75 CO 0.77 -0.75 0.90 -0.47 0.00 0.00 0.00 175.30 175.75 1ai8 s TYR 76 N -1.58 3.02 -1.22 -0.53 5.04 -1.26 -4.88 117.35 115.93 1ai8 s TYR 76 Ca 0.68 0.57 -0.14 0.00 -2.44 0.00 0.00 57.07 55.74 1ai8 s TYR 76 Cb -0.29 -3.73 0.16 0.00 0.35 0.00 0.00 41.96 38.45 1ai8 s TYR 76 CO 0.34 -0.92 1.48 0.39 -1.34 0.00 0.00 175.55 175.49 1ai8 n GLU 77 N 6.87 3.36 -1.67 4.97 1.02 -1.26 -4.98 120.64 128.94 1ai8 n GLU 77 Ca 0.06 -3.79 -0.45 0.00 -0.02 0.00 0.00 57.16 52.96 1ai8 n GLU 77 Cb 0.48 -3.08 -0.03 0.00 -0.02 0.00 0.00 31.44 28.79 1ai8 n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ai8 n ARG 77 N 5.87 2.06 -0.84 3.49 0.63 -1.26 -0.73 116.66 125.88 1ai8 n ARG 77 Ca 0.38 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 58.05 1ai8 n ARG 77 Cb 0.43 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1ai8 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ai8 n ASN 78 N 2.50 -1.19 0.06 6.15 5.03 -1.26 -4.73 115.26 121.82 1ai8 n ASN 78 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 1ai8 n ASN 78 Cb 0.31 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 37.75 1ai8 n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ai8 n ILE 79 N -2.15 0.80 -2.62 2.41 5.41 -0.74 -5.07 119.36 117.40 1ai8 n ILE 79 Ca 0.00 0.26 -0.32 0.00 1.00 0.00 0.00 62.75 63.70 1ai8 n ILE 79 Cb 0.06 -1.36 -0.04 0.00 -0.71 0.00 0.00 39.64 37.60 1ai8 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ai8 s GLU 80 N -2.00 3.94 -0.11 0.38 -1.05 0.09 -4.78 118.70 115.17 1ai8 s GLU 80 Ca 0.00 0.82 0.03 0.00 -0.15 0.00 0.00 54.97 55.67 1ai8 s GLU 80 Cb 0.00 -2.23 0.01 0.00 -0.44 0.00 0.00 34.13 31.47 1ai8 s GLU 80 CO 0.00 -0.15 -0.19 0.15 0.95 0.00 0.00 175.26 176.02 1ai8 s LYS 81 N -3.83 2.62 -0.18 -4.83 -0.14 0.11 -4.87 119.74 108.62 1ai8 s LYS 81 Ca 0.57 -0.72 -0.09 0.00 -1.36 0.00 0.00 55.97 54.37 1ai8 s LYS 81 Cb -0.10 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 33.90 1ai8 s LYS 81 CO 0.28 0.03 0.13 0.42 -0.76 0.00 0.00 175.35 175.45 1ai8 s ILE 82 N 0.71 5.42 0.08 2.17 1.01 -1.26 -0.37 121.20 128.97 1ai8 s ILE 82 Ca -0.11 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1ai8 s ILE 82 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1ai8 s ILE 82 CO 0.02 0.48 -0.18 -0.44 0.00 0.00 0.00 174.94 174.82 1ai8 s SER 83 N 0.05 2.11 0.22 3.58 0.01 0.97 -4.98 113.70 115.66 1ai8 s SER 83 Ca 0.09 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 1ai8 s SER 83 Cb -0.11 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1ai8 s SER 83 CO -0.01 0.01 0.41 -0.04 0.41 0.00 0.00 173.24 174.03 1ai8 s MET 84 N -1.73 3.53 -0.07 12.44 -1.94 -1.26 -1.49 119.30 128.78 1ai8 s MET 84 Ca 0.03 -0.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 1ai8 s MET 84 Cb -0.10 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.88 1ai8 s MET 84 CO 0.03 0.37 0.36 -0.51 -0.01 0.00 0.00 175.02 175.26 1ai8 s LEU 85 N -3.42 4.37 -0.16 -0.03 1.43 -1.26 -1.11 118.68 118.49 1ai8 s LEU 85 Ca 0.39 0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.04 1ai8 s LEU 85 Cb -0.11 -2.50 -0.23 0.00 0.03 0.00 0.00 46.19 43.38 1ai8 s LEU 85 CO 0.29 0.22 0.45 -0.08 0.23 0.00 0.00 176.35 177.46 1ai8 h GLU 86 N 5.61 0.06 -2.03 1.70 4.81 -0.69 -3.43 114.58 120.61 1ai8 h GLU 86 Ca -0.47 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 1ai8 h GLU 86 Cb 1.20 0.04 -0.20 0.00 0.63 0.00 0.00 28.75 30.42 1ai8 h GLU 86 CO 0.67 1.05 0.14 0.21 -0.73 0.00 0.00 179.01 180.36 1ai8 s LYS 87 N -2.35 0.92 -0.11 1.92 2.47 -1.13 -5.00 119.74 116.44 1ai8 s LYS 87 Ca -0.24 0.69 -0.04 0.00 -1.56 0.00 0.00 55.97 54.82 1ai8 s LYS 87 Cb 0.03 0.44 -0.04 0.00 -1.46 0.00 0.00 37.83 36.80 1ai8 s LYS 87 CO 0.66 -0.19 0.05 0.42 0.16 0.00 0.00 175.35 176.45 1ai8 s ILE 88 N -0.25 4.68 -0.12 5.43 1.01 -1.26 -0.83 121.20 129.86 1ai8 s ILE 88 Ca -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1ai8 s ILE 88 Cb -0.03 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.45 1ai8 s ILE 88 CO 0.04 0.58 -0.07 -0.31 0.00 0.00 0.00 174.94 175.18 1ai8 s TYR 89 N -0.65 1.53 -0.06 3.97 2.02 0.42 -5.02 117.35 119.56 1ai8 s TYR 89 Ca 0.11 -0.80 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1ai8 s TYR 89 Cb -0.12 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 1ai8 s TYR 89 CO 0.02 -0.53 -0.03 0.42 -1.57 0.00 0.00 175.55 173.86 1ai8 s ILE 90 N 1.69 3.99 0.12 2.71 1.01 -1.26 -0.56 121.20 128.91 1ai8 s ILE 90 Ca 0.04 -0.44 -0.35 0.00 0.00 0.00 0.00 60.65 59.90 1ai8 s ILE 90 Cb -0.13 -2.68 -0.16 0.00 0.01 0.00 0.00 42.46 39.49 1ai8 s ILE 90 CO -0.08 0.54 1.23 1.57 0.00 0.00 0.00 174.94 178.20 1ai8 n HIS 91 N 1.99 1.33 0.30 3.97 -0.00 -1.01 -4.81 115.22 116.98 1ai8 n HIS 91 Ca -0.17 0.69 0.19 0.00 -0.00 0.00 0.00 57.72 58.42 1ai8 n HIS 91 Cb 0.53 -2.29 0.87 0.00 -0.00 0.00 0.00 29.99 29.10 1ai8 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ai8 h PRO 92 N 3.86 0.00 -0.50 1.57 0.13 -1.95 -1.96 132.00 133.16 1ai8 h PRO 92 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1ai8 h PRO 92 Cb 1.35 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.26 1ai8 h PRO 92 CO 0.73 0.02 -0.32 0.54 -0.23 0.00 0.00 178.00 178.74 1ai8 n ARG 93 N -3.15 2.50 -1.88 0.86 1.74 -1.26 -4.98 116.66 110.49 1ai8 n ARG 93 Ca -0.01 -3.57 -0.42 0.00 -0.77 0.00 0.00 57.85 53.08 1ai8 n ARG 93 Cb 0.22 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.64 1ai8 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ai8 s TYR 94 N -3.44 1.92 -0.92 -1.55 5.04 -0.74 -4.68 117.35 112.99 1ai8 s TYR 94 Ca 0.48 0.04 -0.13 0.00 -2.44 0.00 0.00 57.07 55.02 1ai8 s TYR 94 Cb 0.41 -4.03 0.23 0.00 0.35 0.00 0.00 41.96 38.92 1ai8 s TYR 94 CO -0.00 -4.37 0.88 1.21 -1.34 0.00 0.00 175.55 171.93 1ai8 s ASN 95 N 3.35 6.92 0.15 4.32 3.84 0.43 -4.82 114.94 129.13 1ai8 s ASN 95 Ca 0.78 -2.92 0.26 0.00 0.21 0.00 0.00 52.86 51.18 1ai8 s ASN 95 Cb -0.38 -2.22 0.67 0.00 -0.55 0.00 0.00 41.25 38.77 1ai8 s ASN 95 CO 0.34 -0.51 1.61 -2.67 -2.79 0.00 0.00 177.10 173.07 1ai8 n TRP 96 N 3.74 0.67 0.04 0.43 4.27 -1.26 -0.30 117.44 125.02 1ai8 n TRP 96 Ca 0.17 0.19 -0.15 0.00 -3.89 0.00 0.00 57.50 53.83 1ai8 n TRP 96 Cb 0.45 -0.76 -0.05 0.00 -1.36 0.00 0.00 31.31 29.59 1ai8 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ai8 h ARG 97 N 0.00 0.55 0.00 -2.67 3.08 -1.99 -3.45 114.38 109.90 1ai8 h ARG 97 Ca 0.00 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1ai8 h ARG 97 Cb 0.71 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1ai8 h ARG 97 CO 0.00 1.16 -0.01 -1.91 -1.07 0.00 0.00 179.97 178.14 1ai8 n GLU 97 N -3.83 0.01 -0.35 0.04 2.13 -1.25 -4.99 120.64 112.40 1ai8 n GLU 97 Ca -0.07 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.78 1ai8 n GLU 97 Cb 0.80 -0.14 0.04 0.00 0.27 0.00 0.00 31.44 32.42 1ai8 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ai8 n ASN 98 N -2.58 0.77 -2.91 4.31 6.94 -1.24 -4.98 115.26 115.56 1ai8 n ASN 98 Ca -0.00 -2.32 -0.22 0.00 -0.02 0.00 0.00 54.58 52.02 1ai8 n ASN 98 Cb 0.01 -0.27 0.02 0.00 -2.36 0.00 0.00 39.78 37.18 1ai8 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ai8 n LEU 99 N -0.46 -2.37 -4.75 -4.53 4.77 0.59 -4.93 117.00 105.32 1ai8 n LEU 99 Ca 0.05 -0.22 -0.41 0.00 -0.03 0.00 0.00 56.01 55.39 1ai8 n LEU 99 Cb 0.67 -2.86 -0.02 0.00 -2.33 0.00 0.00 43.42 38.88 1ai8 n LEU 99 CO 0.00 0.12 1.08 -0.62 -1.33 0.00 0.00 177.39 176.64 1ai8 s ASP 100 N -2.55 6.67 -1.18 -1.43 2.15 -1.19 -2.73 116.67 116.41 1ai8 s ASP 100 Ca 0.24 2.68 -0.01 0.00 0.43 0.00 0.00 52.55 55.89 1ai8 s ASP 100 Cb -0.11 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1ai8 s ASP 100 CO 0.30 -0.67 0.99 0.54 -0.17 0.00 0.00 175.17 176.16 1ai8 n ARG 101 N 1.95 -6.57 -2.39 4.34 1.74 -1.26 -0.43 116.66 114.05 1ai8 n ARG 101 Ca 0.05 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.55 1ai8 n ARG 101 Cb 0.41 -5.74 -0.01 0.00 -1.02 0.00 0.00 32.46 26.09 1ai8 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ai8 n ASP 102 N -3.01 4.43 -3.76 0.55 2.03 -1.11 -4.32 116.55 111.36 1ai8 n ASP 102 Ca -0.23 -2.86 -0.13 0.00 0.52 0.00 0.00 54.79 52.08 1ai8 n ASP 102 Cb 0.65 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 1ai8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ai8 s ILE 103 N 5.59 0.06 -0.01 5.18 2.07 -1.26 -3.71 121.20 129.12 1ai8 s ILE 103 Ca 0.57 -0.46 -0.27 0.00 -1.41 0.00 0.00 60.65 59.07 1ai8 s ILE 103 Cb 0.04 -0.61 0.06 0.00 0.13 0.00 0.00 42.46 42.09 1ai8 s ILE 103 CO 0.08 -0.26 0.62 0.00 -1.91 0.00 0.00 174.94 173.47 1ai8 s ALA 104 N -1.29 -1.60 0.08 1.50 0.00 0.00 -2.40 121.76 118.05 1ai8 s ALA 104 Ca -0.13 1.03 0.09 0.00 0.00 0.00 0.00 51.96 52.95 1ai8 s ALA 104 Cb -0.05 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1ai8 s ALA 104 CO 0.04 -0.43 -0.21 -0.51 0.00 0.00 0.00 175.76 174.65 1ai8 s LEU 105 N -1.49 2.49 -0.16 0.00 1.43 0.28 -1.22 118.68 120.00 1ai8 s LEU 105 Ca -0.09 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ai8 s LEU 105 Cb -0.01 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.83 1ai8 s LEU 105 CO 0.05 0.22 -0.07 -0.04 0.23 0.00 0.00 176.35 176.74 1ai8 s MET 106 N -1.74 1.64 -0.03 1.70 -1.94 0.69 -0.44 119.30 119.18 1ai8 s MET 106 Ca 0.15 -0.54 -0.21 0.00 -1.71 0.00 0.00 55.69 53.38 1ai8 s MET 106 Cb -0.10 -2.03 -0.05 0.00 2.01 0.00 0.00 34.83 34.66 1ai8 s MET 106 CO 0.06 -0.39 0.60 0.21 -0.01 0.00 0.00 175.02 175.50 1ai8 s LYS 107 N 1.59 4.35 0.31 2.03 2.20 -0.01 -1.17 119.74 129.04 1ai8 s LYS 107 Ca 0.01 0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 56.20 1ai8 s LYS 107 Cb -0.15 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.71 1ai8 s LYS 107 CO -0.08 0.28 0.74 -0.51 -0.36 0.00 0.00 175.35 175.41 1ai8 s LEU 108 N 0.12 4.09 0.15 5.43 1.43 0.11 -0.06 118.68 129.96 1ai8 s LEU 108 Ca 0.32 1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 1ai8 s LEU 108 Cb -0.18 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.04 1ai8 s LEU 108 CO 0.17 -0.18 1.78 0.11 0.23 0.00 0.00 176.35 178.46 1ai8 h LYS 109 N 2.38 0.38 -5.62 1.70 1.57 -1.38 -3.41 116.57 112.19 1ai8 h LYS 109 Ca -0.48 -0.02 -0.49 0.00 -1.87 0.00 0.00 60.65 57.79 1ai8 h LYS 109 Cb 1.18 -0.08 -0.24 0.00 0.08 0.00 0.00 32.23 33.16 1ai8 h LYS 109 CO 0.65 0.25 -0.81 0.15 -0.57 0.00 0.00 179.45 179.12 1ai8 s LYS 110 N -6.16 1.07 0.47 3.15 1.02 -1.26 -4.97 119.74 113.06 1ai8 s LYS 110 Ca -0.13 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 54.76 1ai8 s LYS 110 Cb 0.11 -1.14 -0.09 0.00 -0.52 0.00 0.00 37.83 36.20 1ai8 s LYS 110 CO 0.71 0.28 1.12 -2.30 -0.92 0.00 0.00 175.35 174.25 1ai8 n PRO 111 N 1.75 1.49 -3.65 -1.68 -0.02 -1.26 -4.89 135.00 126.74 1ai8 n PRO 111 Ca -0.18 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 1ai8 n PRO 111 Cb 0.54 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1ai8 n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ai8 s VAL 112 N -1.30 5.20 -0.03 -1.45 0.11 0.26 -5.02 120.40 118.17 1ai8 s VAL 112 Ca 0.66 0.43 -0.26 0.00 -2.93 0.00 0.00 61.98 59.88 1ai8 s VAL 112 Cb -0.50 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1ai8 s VAL 112 CO 0.55 0.44 0.83 0.00 -3.33 0.00 0.00 175.10 173.58 1ai8 s ALA 113 N -1.23 3.26 0.48 1.54 0.00 -1.26 -4.83 121.76 119.71 1ai8 s ALA 113 Ca 0.26 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.33 1ai8 s ALA 113 Cb -0.14 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1ai8 s ALA 113 CO 0.14 -0.15 1.08 -0.06 0.00 0.00 0.00 175.76 176.77 1ai8 s PHE 114 N 0.85 2.96 0.00 0.00 0.08 -1.26 -4.88 117.98 115.72 1ai8 s PHE 114 Ca 0.44 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.07 1ai8 s PHE 114 Cb -0.19 -3.18 0.00 0.00 -0.57 0.00 0.00 43.02 39.08 1ai8 s PHE 114 CO 0.23 -1.06 0.00 -1.13 -0.10 0.00 0.00 175.22 173.16 1ai8 n SER 115 N -0.79 0.00 0.28 1.36 3.41 -0.46 -4.96 113.62 112.46 1ai8 n SER 115 Ca 0.09 -0.80 0.17 0.00 -0.26 0.00 0.00 58.87 58.06 1ai8 n SER 115 Cb 0.51 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.23 1ai8 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ai8 h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.98 -3.07 116.42 118.72 1ai8 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ai8 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ai8 h ASP 116 CO 0.00 0.05 -0.19 -1.22 -1.72 0.00 0.00 179.24 176.16 1ai8 n TYR 117 N -3.21 0.00 -3.86 4.55 4.01 -1.26 -4.76 117.16 112.63 1ai8 n TYR 117 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1ai8 n TYR 117 Cb 0.26 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.12 1ai8 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ai8 s ILE 118 N -1.25 0.83 -0.28 -0.72 1.01 -1.16 -4.20 121.20 115.43 1ai8 s ILE 118 Ca 0.07 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1ai8 s ILE 118 Cb 0.07 -0.91 0.13 0.00 0.01 0.00 0.00 42.46 41.75 1ai8 s ILE 118 CO 0.22 0.31 1.06 -2.28 0.00 0.00 0.00 174.94 174.24 1ai8 s HIS 119 N 1.79 -0.45 0.36 3.97 2.46 -0.50 -1.36 115.29 121.55 1ai8 s HIS 119 Ca 0.05 1.09 -0.25 0.00 0.47 0.00 0.00 55.06 56.41 1ai8 s HIS 119 Cb -0.13 0.37 -0.09 0.00 -0.13 0.00 0.00 32.58 32.60 1ai8 s HIS 119 CO -0.07 -0.22 1.01 -1.25 -2.47 0.00 0.00 174.74 171.74 1ai8 s PRO 120 N 0.21 4.38 0.38 2.88 0.04 -1.26 -1.94 135.00 139.70 1ai8 s PRO 120 Ca 0.03 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 1ai8 s PRO 120 Cb -0.05 -2.71 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1ai8 s PRO 120 CO -0.07 0.07 0.65 0.54 0.04 0.00 0.00 177.00 178.23 1ai8 s VAL 121 N -1.60 4.99 0.33 -0.36 0.11 -0.55 -4.92 120.40 118.41 1ai8 s VAL 121 Ca 0.53 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.41 1ai8 s VAL 121 Cb -0.21 -3.82 -0.09 0.00 -1.53 0.00 0.00 36.38 30.72 1ai8 s VAL 121 CO 0.27 -0.60 0.75 0.00 -3.33 0.00 0.00 175.10 172.19 1ai8 s LEU 123 N -3.05 4.40 0.22 0.00 1.43 -1.26 -1.09 118.68 119.34 1ai8 s LEU 123 Ca 0.54 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.91 1ai8 s LEU 123 Cb -0.10 -2.18 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 1ai8 s LEU 123 CO 0.18 0.38 1.17 -2.16 0.23 0.00 0.00 176.35 176.15 1ai8 s PRO 124 N -0.96 4.53 0.79 1.29 0.04 -1.26 -4.93 135.00 134.50 1ai8 s PRO 124 Ca 0.16 1.87 -0.09 0.00 0.04 0.00 0.00 61.00 62.98 1ai8 s PRO 124 Cb -0.13 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 31.31 1ai8 s PRO 124 CO 0.06 0.01 1.12 0.16 0.04 0.00 0.00 177.00 178.38 1ai8 s ASP 125 N -0.24 4.24 0.20 6.66 1.47 -1.26 -4.85 116.67 122.88 1ai8 s ASP 125 Ca 0.50 0.34 -0.11 0.00 1.18 0.00 0.00 52.55 54.45 1ai8 s ASP 125 Cb -0.33 -0.76 0.22 0.00 -0.34 0.00 0.00 42.92 41.71 1ai8 s ASP 125 CO 0.39 -1.99 1.76 -0.09 0.68 0.00 0.00 175.17 175.91 1ai8 h ARG 126 N -0.94 0.41 -0.43 2.11 2.43 -1.97 -2.92 114.38 113.07 1ai8 h ARG 126 Ca -0.43 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 1ai8 h ARG 126 Cb 1.29 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1ai8 h ARG 126 CO 0.52 0.27 -0.18 0.93 -1.51 0.00 0.00 179.97 180.00 1ai8 h GLU 127 N 0.42 0.88 -1.04 0.20 4.39 -2.04 -1.35 114.58 116.04 1ai8 h GLU 127 Ca 0.27 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ai8 h GLU 127 Cb 0.29 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ai8 h GLU 127 CO -0.26 1.02 0.00 2.41 -1.16 0.00 0.00 179.01 181.02 1ai8 n THR 128 N -4.22 0.13 0.00 1.13 -1.04 -1.10 -1.15 114.28 108.02 1ai8 n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ai8 n THR 128 Cb 0.43 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1ai8 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ai8 n ALA 129 N 0.64 0.00 0.10 2.41 0.00 -0.51 -1.43 120.51 121.73 1ai8 n ALA 129 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ai8 n ALA 129 Cb 0.09 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.61 1ai8 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ai8 h SER 129 N 0.00 0.15 0.00 0.00 0.02 -1.40 -3.36 113.55 108.95 1ai8 h SER 129 Ca 0.00 -0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 60.73 1ai8 h SER 129 Cb 0.00 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1ai8 h SER 129 CO 0.00 0.83 -1.94 0.18 -1.14 0.00 0.00 176.83 174.76 1ai8 n LEU 129 N -3.73 0.00 -4.25 5.07 4.77 -0.51 -4.71 117.00 113.64 1ai8 n LEU 129 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.52 1ai8 n LEU 129 Cb 0.71 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1ai8 n LEU 129 CO 0.45 0.15 1.57 0.18 -1.33 0.00 0.00 177.39 178.42 1ai8 n LEU 130 N -2.31 5.75 -4.06 2.23 4.77 -1.26 -4.79 117.00 117.33 1ai8 n LEU 130 Ca -0.12 -4.55 -0.18 0.00 -0.03 0.00 0.00 56.01 51.12 1ai8 n LEU 130 Cb 0.68 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.07 1ai8 n LEU 130 CO 0.37 0.99 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.88 1ai8 s GLN 131 N 1.00 0.75 0.10 3.23 -0.21 -1.26 -4.93 119.66 118.33 1ai8 s GLN 131 Ca 0.41 -0.49 -0.36 0.00 0.02 0.00 0.00 55.36 54.95 1ai8 s GLN 131 Cb 0.01 -0.70 -0.15 0.00 1.00 0.00 0.00 33.01 33.17 1ai8 s GLN 131 CO 0.00 0.18 1.46 0.00 -2.12 0.00 0.00 175.29 174.82 1ai8 n ALA 132 N 2.43 0.05 0.00 6.09 0.00 -1.26 -1.43 120.51 126.38 1ai8 n ALA 132 Ca -0.16 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ai8 n ALA 132 Cb 0.56 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ai8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ai8 n GLY 133 N 2.97 2.76 3.73 0.00 0.00 -0.29 -4.97 105.19 109.40 1ai8 n GLY 133 Ca 0.18 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1ai8 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ai8 s TYR 134 N -1.78 3.16 -0.02 1.61 1.51 -0.52 -4.60 117.35 116.71 1ai8 s TYR 134 Ca 0.00 1.03 -0.07 0.00 -1.01 0.00 0.00 57.07 57.02 1ai8 s TYR 134 Cb 0.00 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1ai8 s TYR 134 CO 0.00 -2.42 0.25 0.15 -1.11 0.00 0.00 175.55 172.42 1ai8 s LYS 135 N 0.24 3.58 0.49 -0.62 1.02 -1.26 -0.62 119.74 122.56 1ai8 s LYS 135 Ca 0.61 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.58 1ai8 s LYS 135 Cb -0.39 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 1ai8 s LYS 135 CO 0.37 0.68 0.06 0.20 -0.92 0.00 0.00 175.35 175.74 1ai8 s GLY 136 N -1.50 2.82 -0.06 -3.33 0.00 0.00 -4.84 107.32 100.40 1ai8 s GLY 136 Ca 0.24 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1ai8 s GLY 136 CO 0.13 -2.14 -0.15 -1.60 0.00 0.00 0.00 173.10 169.35 1ai8 s ARG 137 N -3.89 1.81 -0.06 2.90 3.52 0.14 -0.84 118.95 122.54 1ai8 s ARG 137 Ca 0.17 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.29 1ai8 s ARG 137 Cb 0.03 -1.51 -0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1ai8 s ARG 137 CO 0.09 0.13 -0.20 0.08 -0.81 0.00 0.00 175.30 174.59 1ai8 s VAL 138 N 0.37 2.50 0.06 7.11 1.01 -0.01 -0.44 120.40 131.00 1ai8 s VAL 138 Ca -0.10 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1ai8 s VAL 138 Cb -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ai8 s VAL 138 CO 0.03 0.57 -0.13 0.42 0.00 0.00 0.00 175.10 176.00 1ai8 s THR 139 N -0.31 1.00 0.00 3.92 -4.23 -1.24 -1.33 115.64 113.45 1ai8 s THR 139 Ca 0.02 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1ai8 s THR 139 Cb -0.13 -0.98 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1ai8 s THR 139 CO 0.02 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1ai8 n GLY 140 N 1.33 1.06 1.23 3.99 0.00 -0.81 -4.49 105.19 107.51 1ai8 n GLY 140 Ca -0.21 -0.86 0.08 0.00 0.00 0.00 0.00 46.02 45.02 1ai8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ai8 n TRP 141 N -0.33 1.27 -0.96 1.61 8.01 -1.26 -1.78 117.44 124.00 1ai8 n TRP 141 Ca 0.00 -0.75 -0.29 0.00 -1.31 0.00 0.00 57.50 55.14 1ai8 n TRP 141 Cb 0.00 -0.32 0.22 0.00 -2.01 0.00 0.00 31.31 29.20 1ai8 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ai8 s GLY 142 N -1.37 1.55 0.52 6.99 0.00 -1.26 -4.57 107.32 109.18 1ai8 s GLY 142 Ca 0.45 -0.61 -0.21 0.00 0.00 0.00 0.00 44.72 44.35 1ai8 s GLY 142 CO 0.14 0.17 0.96 0.70 0.00 0.00 0.00 173.10 175.06 1ai8 n ASN 143 N -4.67 0.89 0.11 1.64 4.13 0.15 -2.68 115.26 114.82 1ai8 n ASN 143 Ca 0.08 0.90 0.12 0.00 1.68 0.00 0.00 54.58 57.37 1ai8 n ASN 143 Cb 0.58 -1.36 0.21 0.00 -1.54 0.00 0.00 39.78 37.67 1ai8 n ASN 143 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1ai8 h LEU 144 N 0.96 0.00 -7.98 3.41 3.38 -0.55 -0.72 115.31 113.82 1ai8 h LEU 144 Ca -0.47 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.49 1ai8 h LEU 144 Cb 1.35 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1ai8 h LEU 144 CO 0.53 0.04 0.25 -1.59 0.09 0.00 0.00 178.44 177.76 1ai8 s LYS 145 N -3.18 1.79 -0.06 1.13 -2.85 -1.26 -4.24 119.74 111.07 1ai8 s LYS 145 Ca 0.07 -1.01 -0.15 0.00 -1.00 0.00 0.00 55.97 53.88 1ai8 s LYS 145 Cb 0.11 0.60 -0.10 0.00 -2.06 0.00 0.00 37.83 36.38 1ai8 s LYS 145 CO 0.69 -0.82 0.60 1.49 0.10 0.00 0.00 175.35 177.40 1ai8 h GLU 146 N 2.00 -0.28 -0.14 1.78 4.81 -1.93 -3.48 114.58 117.34 1ai8 h GLU 146 Ca -0.20 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1ai8 h GLU 146 Cb 1.25 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 1ai8 h GLU 146 CO 0.25 -0.01 0.05 0.00 -0.73 0.00 0.00 179.01 178.57 1ai8 h THR 147 N -1.01 1.16 -1.15 0.32 1.03 -1.98 -3.50 112.91 107.78 1ai8 h THR 147 Ca -0.03 -0.49 -0.07 0.00 -0.01 0.00 0.00 66.41 65.81 1ai8 h THR 147 Cb 0.40 1.22 0.04 0.00 -1.07 0.00 0.00 68.15 68.75 1ai8 h THR 147 CO 0.05 0.15 -0.03 2.29 -0.01 0.00 0.00 175.52 177.96 1ai8 n LYS 149 N -4.87 0.38 0.00 0.00 -0.00 -1.26 -5.13 118.16 107.28 1ai8 n LYS 149 Ca -0.05 -0.28 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1ai8 n LYS 149 Cb 0.13 -0.88 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 1ai8 n LYS 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ai8 n GLY 150 N 0.45 -1.12 3.49 2.58 0.00 -1.26 -4.04 105.19 105.29 1ai8 n GLY 150 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1ai8 n GLY 150 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ai8 s GLN 151 N -0.55 1.82 0.65 1.61 2.00 -1.26 0.01 119.66 123.94 1ai8 s GLN 151 Ca 0.00 -1.15 -0.11 0.00 -2.00 0.00 0.00 55.36 52.09 1ai8 s GLN 151 Cb 0.00 -2.13 -0.02 0.00 0.80 0.00 0.00 33.01 31.66 1ai8 s GLN 151 CO 0.00 0.49 1.04 -1.25 -0.50 0.00 0.00 175.29 175.07 1ai8 s PRO 152 N -2.07 3.30 0.05 1.67 0.04 -1.26 -4.92 135.00 131.81 1ai8 s PRO 152 Ca 0.18 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 1ai8 s PRO 152 Cb -0.11 -2.04 -0.28 0.00 0.04 0.00 0.00 34.50 32.12 1ai8 s PRO 152 CO 0.10 -0.81 1.10 1.03 0.04 0.00 0.00 177.00 178.46 1ai8 h SER 153 N -0.44 0.85 -4.11 6.66 0.87 -1.97 -3.42 113.55 111.98 1ai8 h SER 153 Ca -0.44 -0.81 -0.38 0.00 -1.23 0.00 0.00 61.79 58.92 1ai8 h SER 153 Cb 1.20 -0.27 -0.14 0.00 -0.44 0.00 0.00 62.40 62.75 1ai8 h SER 153 CO 0.59 1.57 -0.62 0.68 -0.53 0.00 0.00 176.83 178.53 1ai8 s VAL 154 N -3.03 0.76 0.14 2.23 -7.23 -1.26 -0.55 120.40 111.47 1ai8 s VAL 154 Ca -0.10 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 57.73 1ai8 s VAL 154 Cb 0.05 -2.66 -0.16 0.00 0.56 0.00 0.00 36.38 34.17 1ai8 s VAL 154 CO 0.92 -0.03 1.23 -0.11 -0.31 0.00 0.00 175.10 176.81 1ai8 n LEU 155 N -0.52 1.63 -4.77 1.32 7.94 0.10 -4.81 117.00 117.89 1ai8 n LEU 155 Ca -0.01 1.13 -0.28 0.00 -1.11 0.00 0.00 56.01 55.74 1ai8 n LEU 155 Cb 0.66 -1.22 -0.06 0.00 0.53 0.00 0.00 43.42 43.33 1ai8 n LEU 155 CO 0.39 -1.18 -0.25 -1.10 -1.11 0.00 0.00 177.39 174.14 1ai8 s GLN 156 N -0.07 2.83 0.01 1.96 -1.52 -0.73 -0.31 119.66 121.83 1ai8 s GLN 156 Ca 0.77 -0.82 0.01 0.00 -1.95 0.00 0.00 55.36 53.37 1ai8 s GLN 156 Cb -0.88 -2.65 -0.01 0.00 -0.22 0.00 0.00 33.01 29.26 1ai8 s GLN 156 CO 0.50 0.52 -0.03 0.08 -0.25 0.00 0.00 175.29 176.11 1ai8 s VAL 157 N -1.58 0.18 -0.20 1.09 1.01 0.03 -1.92 120.40 119.02 1ai8 s VAL 157 Ca 0.30 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1ai8 s VAL 157 Cb -0.11 -0.22 0.06 0.00 0.00 0.00 0.00 36.38 36.11 1ai8 s VAL 157 CO 0.22 -0.16 0.51 0.54 0.00 0.00 0.00 175.10 176.21 1ai8 s VAL 158 N -0.59 -0.01 -0.13 2.92 0.11 -0.44 -1.24 120.40 121.01 1ai8 s VAL 158 Ca -0.05 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 58.89 1ai8 s VAL 158 Cb -0.04 -0.73 -0.05 0.00 -1.53 0.00 0.00 36.38 34.03 1ai8 s VAL 158 CO -0.00 0.01 0.30 0.20 -3.33 0.00 0.00 175.10 172.28 1ai8 s ASN 159 N 0.81 6.48 -0.03 3.54 0.01 -1.26 -0.83 114.94 123.66 1ai8 s ASN 159 Ca -0.04 0.57 -0.02 0.00 -0.71 0.00 0.00 52.86 52.66 1ai8 s ASN 159 Cb -0.05 -2.18 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1ai8 s ASN 159 CO -0.06 0.16 0.06 -0.76 -1.51 0.00 0.00 177.10 174.99 1ai8 s LEU 160 N 0.13 1.66 0.13 0.60 1.43 -0.02 -4.96 118.68 117.65 1ai8 s LEU 160 Ca 0.17 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 1ai8 s LEU 160 Cb -0.13 0.20 -0.07 0.00 0.03 0.00 0.00 46.19 46.22 1ai8 s LEU 160 CO 0.05 -0.04 1.14 -2.16 0.23 0.00 0.00 176.35 175.58 1ai8 s PRO 161 N 0.17 4.52 0.45 1.29 0.04 -1.26 -0.82 135.00 139.39 1ai8 s PRO 161 Ca -0.01 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 1ai8 s PRO 161 Cb -0.02 -3.31 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 1ai8 s PRO 161 CO -0.00 -0.08 1.41 0.42 0.04 0.00 0.00 177.00 178.79 1ai8 s ILE 162 N 0.33 2.11 0.02 0.56 1.01 0.21 -0.92 121.20 124.52 1ai8 s ILE 162 Ca 0.53 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1ai8 s ILE 162 Cb -0.29 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1ai8 s ILE 162 CO 0.33 0.01 -0.03 -0.69 0.00 0.00 0.00 174.94 174.56 1ai8 s VAL 163 N -1.21 3.93 0.28 2.92 1.01 -0.29 -1.13 120.40 125.91 1ai8 s VAL 163 Ca 0.61 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 1ai8 s VAL 163 Cb -0.43 -2.77 -0.14 0.00 0.00 0.00 0.00 36.38 33.04 1ai8 s VAL 163 CO 0.55 0.32 1.13 -0.62 0.00 0.00 0.00 175.10 176.48 1ai8 n GLU 164 N 1.25 1.58 -0.30 2.72 4.71 -1.26 -4.62 120.64 124.72 1ai8 n GLU 164 Ca -0.14 0.56 -0.04 0.00 -0.01 0.00 0.00 57.16 57.53 1ai8 n GLU 164 Cb 0.52 -2.02 0.08 0.00 -1.01 0.00 0.00 31.44 29.01 1ai8 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1ai8 h ARG 165 N 2.52 1.08 -0.58 3.49 2.43 -1.97 -1.59 114.38 119.75 1ai8 h ARG 165 Ca -0.42 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1ai8 h ARG 165 Cb 1.32 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1ai8 h ARG 165 CO 0.64 0.72 0.24 -1.35 -1.51 0.00 0.00 179.97 178.71 1ai8 h PRO 166 N 1.11 0.84 -0.50 0.20 0.11 -1.99 -1.28 132.00 130.48 1ai8 h PRO 166 Ca 0.30 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 1ai8 h PRO 166 Cb -0.12 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.82 1ai8 h PRO 166 CO -0.06 0.68 0.16 0.28 -0.21 0.00 0.00 178.00 178.85 1ai8 h VAL 167 N 0.83 1.23 -0.14 3.15 2.07 -1.75 -1.41 116.25 120.23 1ai8 h VAL 167 Ca 0.20 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1ai8 h VAL 167 Cb 0.15 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1ai8 h VAL 167 CO -0.02 0.28 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1ai8 h LYS 169 N 0.00 0.41 0.00 0.00 1.63 -1.09 -2.51 116.57 115.01 1ai8 h LYS 169 Ca 0.07 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1ai8 h LYS 169 Cb 0.10 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1ai8 h LYS 169 CO -0.14 0.27 0.00 -0.25 -3.45 0.00 0.00 179.45 175.88 1ai8 n ASP 170 N -4.94 0.00 -0.28 4.20 8.00 -0.54 -3.04 116.55 119.94 1ai8 n ASP 170 Ca 0.04 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.32 1ai8 n ASP 170 Cb 0.16 -0.20 0.11 0.00 -0.02 0.00 0.00 41.12 41.17 1ai8 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ai8 n SER 171 N -1.20 1.39 -4.06 -2.24 3.41 -0.87 -4.99 113.62 105.06 1ai8 n SER 171 Ca 0.15 -1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 57.56 1ai8 n SER 171 Cb 0.18 0.45 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 1ai8 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ai8 s THR 172 N -2.64 0.07 -0.63 6.66 -1.32 -1.17 -4.82 115.64 111.80 1ai8 s THR 172 Ca 0.17 -1.65 0.21 0.00 -1.21 0.00 0.00 61.69 59.21 1ai8 s THR 172 Cb 0.18 -1.99 -0.26 0.00 -1.51 0.00 0.00 72.50 68.91 1ai8 s THR 172 CO 0.62 -0.33 0.73 0.54 -2.21 0.00 0.00 174.62 173.97 1ai8 n ARG 173 N -0.18 0.34 -2.25 7.08 1.74 -1.26 -4.95 116.66 117.18 1ai8 n ARG 173 Ca -0.06 -0.07 -0.39 0.00 -0.77 0.00 0.00 57.85 56.56 1ai8 n ARG 173 Cb 0.63 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 1ai8 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ai8 s ILE 174 N -3.15 3.04 -0.46 0.55 -1.09 -1.26 -4.96 121.20 113.88 1ai8 s ILE 174 Ca 0.02 0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 59.08 1ai8 s ILE 174 Cb 0.15 -3.55 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 1ai8 s ILE 174 CO 0.86 0.14 1.19 -0.60 -1.23 0.00 0.00 174.94 175.30 1ai8 s ARG 175 N -2.10 3.71 0.29 2.79 3.52 -1.26 -5.00 118.95 120.90 1ai8 s ARG 175 Ca 0.54 0.66 -0.27 0.00 -0.13 0.00 0.00 55.73 56.53 1ai8 s ARG 175 Cb -0.33 -3.93 -0.10 0.00 -1.56 0.00 0.00 34.95 29.03 1ai8 s ARG 175 CO 0.43 -1.40 0.93 0.42 -0.81 0.00 0.00 175.30 174.86 1ai8 s ILE 176 N 4.63 4.19 0.33 4.11 -1.09 -1.26 -4.86 121.20 127.24 1ai8 s ILE 176 Ca 0.51 1.88 0.06 0.00 -2.23 0.00 0.00 60.65 60.86 1ai8 s ILE 176 Cb -0.09 -4.10 -0.07 0.00 -1.58 0.00 0.00 42.46 36.63 1ai8 s ILE 176 CO 0.31 0.26 -0.00 0.42 -1.23 0.00 0.00 174.94 174.70 1ai8 s THR 177 N -1.48 1.59 -1.09 2.92 -4.23 -1.26 -5.01 115.64 107.09 1ai8 s THR 177 Ca 0.47 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1ai8 s THR 177 Cb -0.21 -2.71 0.08 0.00 1.34 0.00 0.00 72.50 71.00 1ai8 s THR 177 CO 0.26 -0.12 1.24 0.47 -0.54 0.00 0.00 174.62 175.93 1ai8 n ASP 178 N -0.72 0.00 -0.72 3.99 8.00 -1.26 -1.71 116.55 124.13 1ai8 n ASP 178 Ca -0.04 0.43 0.06 0.00 0.71 0.00 0.00 54.79 55.95 1ai8 n ASP 178 Cb 0.65 -0.46 0.17 0.00 -0.02 0.00 0.00 41.12 41.47 1ai8 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ai8 n ASN 179 N -1.46 2.09 -4.18 -2.24 3.02 -1.26 -4.85 115.26 106.39 1ai8 n ASN 179 Ca 0.02 -2.03 -0.12 0.00 -0.03 0.00 0.00 54.58 52.43 1ai8 n ASN 179 Cb 0.09 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.89 1ai8 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ai8 s MET 180 N -1.52 0.86 0.06 3.52 -1.94 -0.69 -0.11 119.30 119.48 1ai8 s MET 180 Ca 0.25 -1.29 -0.11 0.00 -1.71 0.00 0.00 55.69 52.83 1ai8 s MET 180 Cb 0.14 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.65 1ai8 s MET 180 CO 0.17 0.02 0.24 -0.59 -0.01 0.00 0.00 175.02 174.85 1ai8 s PHE 181 N -3.24 0.01 0.22 -0.03 -0.12 -0.77 -4.82 117.98 109.22 1ai8 s PHE 181 Ca 0.10 -0.26 0.11 0.00 -0.05 0.00 0.00 56.93 56.84 1ai8 s PHE 181 Cb 0.02 0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1ai8 s PHE 181 CO -0.03 -0.50 -0.22 0.00 -0.05 0.00 0.00 175.22 174.42 1ai8 s ALA 183 N -1.89 -0.09 0.00 0.00 0.00 -0.54 -1.14 121.76 118.10 1ai8 s ALA 183 Ca 0.23 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1ai8 s ALA 183 Cb -0.07 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1ai8 s ALA 183 CO 0.11 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1ai8 n GLY 184 N 0.36 3.35 3.87 0.00 0.00 -0.10 -2.26 105.19 110.41 1ai8 n GLY 184 Ca -0.17 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 1ai8 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ai8 s TYR 184 N -2.03 3.44 0.53 1.61 2.02 -1.26 -4.53 117.35 117.13 1ai8 s TYR 184 Ca 0.00 1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 57.72 1ai8 s TYR 184 Cb 0.00 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 1ai8 s TYR 184 CO 0.00 -0.02 0.81 0.15 -1.57 0.00 0.00 175.55 174.92 1ai8 s LYS 185 N -3.57 2.99 0.30 -0.62 1.02 -1.26 -4.82 119.74 113.78 1ai8 s LYS 185 Ca 0.51 -0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 1ai8 s LYS 185 Cb -0.10 -2.38 0.44 0.00 -0.52 0.00 0.00 37.83 35.26 1ai8 s LYS 185 CO 0.27 -0.52 1.97 -1.35 -0.92 0.00 0.00 175.35 174.80 1ai8 h PRO 186 N 0.06 1.09 0.00 -1.68 0.11 -1.96 -2.60 132.00 127.02 1ai8 h PRO 186 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ai8 h PRO 186 Cb 1.25 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ai8 h PRO 186 CO 0.59 0.72 0.00 -0.40 -0.21 0.00 0.00 178.00 178.70 1ai8 n ASP 186 N -4.41 0.00 -0.08 -2.05 5.68 -1.26 -3.52 116.55 110.92 1ai8 n ASP 186 Ca 0.09 0.35 0.12 0.00 -0.50 0.00 0.00 54.79 54.85 1ai8 n ASP 186 Cb 0.03 -0.44 0.29 0.00 -1.14 0.00 0.00 41.12 39.86 1ai8 n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ai8 n GLU 186 N -1.44 0.27 0.00 0.11 1.02 -0.98 -4.97 120.64 114.64 1ai8 n GLU 186 Ca 0.07 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1ai8 n GLU 186 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1ai8 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ai8 n GLY 186 N 1.45 1.65 3.62 0.62 0.00 -1.23 -4.95 105.19 106.36 1ai8 n GLY 186 Ca 0.08 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ai8 n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ai8 n LYS 186 N 0.00 0.52 -2.53 1.61 5.02 -1.26 -5.03 118.16 116.48 1ai8 n LYS 186 Ca 0.00 0.23 -0.06 0.00 -2.02 0.00 0.00 58.31 56.47 1ai8 n LYS 186 Cb 0.00 -2.24 -0.02 0.00 -0.02 0.00 0.00 35.03 32.75 1ai8 n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ai8 n ARG 187 N -1.92 1.00 0.00 1.97 1.74 -1.26 -4.76 116.66 113.44 1ai8 n ARG 187 Ca 0.13 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.45 1ai8 n ARG 187 Cb 0.49 0.38 0.00 0.00 -1.02 0.00 0.00 32.46 32.31 1ai8 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ai8 n GLY 188 N 1.98 3.89 3.66 -0.13 0.00 -1.26 -4.90 105.19 108.43 1ai8 n GLY 188 Ca -0.02 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 1ai8 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ai8 s ASP 189 N 0.00 -0.14 0.63 1.61 2.15 -0.90 -4.63 116.67 115.39 1ai8 s ASP 189 Ca 0.00 -0.21 -0.05 0.00 0.43 0.00 0.00 52.55 52.71 1ai8 s ASP 189 Cb 0.00 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 42.96 1ai8 s ASP 189 CO 0.00 -0.56 0.93 0.00 -0.17 0.00 0.00 175.17 175.37 1ai8 s ALA 190 N -2.83 3.30 0.31 3.66 0.00 -1.26 -0.14 121.76 124.81 1ai8 s ALA 190 Ca 0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1ai8 s ALA 190 Cb 0.01 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1ai8 s ALA 190 CO -0.02 -0.99 0.45 0.00 0.00 0.00 0.00 175.76 175.20 1ai8 n GLU 192 N -0.50 1.78 0.00 0.00 2.13 -1.26 -1.08 120.64 121.70 1ai8 n GLU 192 Ca -0.00 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1ai8 n GLU 192 Cb 0.51 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1ai8 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ai8 n GLY 193 N 4.07 0.93 0.13 8.31 0.00 -1.26 -0.68 105.19 116.69 1ai8 n GLY 193 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.34 1ai8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ai8 h ASP 194 N 0.00 0.00 -2.00 1.61 3.32 -1.46 -3.30 116.42 114.58 1ai8 h ASP 194 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1ai8 h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1ai8 h ASP 194 CO 0.00 0.14 -0.09 -1.20 -1.72 0.00 0.00 179.24 176.36 1ai8 n SER 195 N -2.84 0.43 0.00 6.45 7.64 -1.26 -1.72 113.62 122.33 1ai8 n SER 195 Ca -0.01 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1ai8 n SER 195 Cb 0.61 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1ai8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ai8 n GLY 196 N 1.48 2.90 3.82 0.23 0.00 -0.22 0.07 105.19 113.48 1ai8 n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1ai8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ai8 s GLY 197 N -2.13 1.59 0.04 -0.02 0.00 -0.70 -3.08 107.32 103.01 1ai8 s GLY 197 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 44.72 44.10 1ai8 s GLY 197 CO 0.00 -0.04 0.24 2.56 0.00 0.00 0.00 173.10 175.85 1ai8 s PRO 198 N -5.39 3.49 -0.40 2.90 0.04 -1.26 -0.84 135.00 133.54 1ai8 s PRO 198 Ca 0.64 -0.28 -0.08 0.00 0.04 0.00 0.00 61.00 61.32 1ai8 s PRO 198 Cb -0.13 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.45 1ai8 s PRO 198 CO 0.52 0.62 0.22 0.12 0.04 0.00 0.00 177.00 178.52 1ai8 s PHE 199 N -1.43 3.35 0.30 0.56 2.19 0.51 -3.62 117.98 119.83 1ai8 s PHE 199 Ca 0.32 -1.62 0.08 0.00 0.33 0.00 0.00 56.93 56.04 1ai8 s PHE 199 Cb -0.13 -2.86 -0.04 0.00 -1.31 0.00 0.00 43.02 38.68 1ai8 s PHE 199 CO 0.22 -0.84 0.14 0.14 1.83 0.00 0.00 175.22 176.71 1ai8 s VAL 200 N 1.38 3.53 -0.00 3.12 -7.23 0.42 -1.36 120.40 120.25 1ai8 s VAL 200 Ca 0.03 -1.64 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1ai8 s VAL 200 Cb -0.22 -3.07 -0.00 0.00 0.56 0.00 0.00 36.38 33.65 1ai8 s VAL 200 CO 0.01 -0.27 0.03 -0.04 -0.31 0.00 0.00 175.10 174.52 1ai8 s MET 201 N -3.82 0.16 -0.38 4.82 -1.94 0.01 0.26 119.30 118.41 1ai8 s MET 201 Ca 0.36 -0.18 -0.14 0.00 -1.71 0.00 0.00 55.69 54.02 1ai8 s MET 201 Cb -0.05 0.06 0.01 0.00 2.01 0.00 0.00 34.83 36.86 1ai8 s MET 201 CO 0.23 -0.03 0.27 0.21 -0.01 0.00 0.00 175.02 175.69 1ai8 s LYS 202 N -0.52 3.12 0.10 2.03 2.20 -1.26 -0.44 119.74 124.97 1ai8 s LYS 202 Ca -0.06 -0.90 -0.32 0.00 -0.36 0.00 0.00 55.97 54.32 1ai8 s LYS 202 Cb -0.04 -3.88 -0.12 0.00 -1.51 0.00 0.00 37.83 32.28 1ai8 s LYS 202 CO -0.00 -0.64 1.78 0.45 -0.36 0.00 0.00 175.35 176.58 1ai8 n SER 203 N 5.12 3.72 0.00 1.43 2.88 -0.32 -4.87 113.62 121.58 1ai8 n SER 203 Ca -0.12 1.01 0.11 0.00 -1.33 0.00 0.00 58.87 58.54 1ai8 n SER 203 Cb 0.48 -1.49 0.50 0.00 -0.75 0.00 0.00 64.21 62.95 1ai8 n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ai8 n PRO 204 N 5.22 0.10 0.05 -1.46 -0.04 -1.26 -0.92 135.00 136.70 1ai8 n PRO 204 Ca 0.18 0.11 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 1ai8 n PRO 204 Cb 0.34 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 1ai8 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ai8 h PHE 204 N 0.00 0.60 0.00 0.54 -1.00 -1.97 -3.41 116.94 111.71 1ai8 h PHE 204 Ca 0.00 -0.44 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1ai8 h PHE 204 Cb 0.33 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1ai8 h PHE 204 CO 0.00 1.56 0.00 0.27 -1.61 0.00 0.00 178.31 178.53 1ai8 n ASN 204 N -3.83 1.19 -3.66 2.17 2.04 -1.25 -5.03 115.26 106.89 1ai8 n ASN 204 Ca -0.22 -1.35 -0.26 0.00 -0.44 0.00 0.00 54.58 52.30 1ai8 n ASN 204 Cb 0.96 0.00 0.06 0.00 -2.53 0.00 0.00 39.78 38.27 1ai8 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ai8 n ASN 205 N -0.18 -5.79 -4.45 0.53 3.02 -0.10 -5.00 115.26 103.29 1ai8 n ASN 205 Ca 0.00 -0.60 -0.29 0.00 -0.03 0.00 0.00 54.58 53.66 1ai8 n ASN 205 Cb 0.14 -4.59 -0.12 0.00 -0.61 0.00 0.00 39.78 34.61 1ai8 n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ai8 s ARG 206 N -6.38 1.64 -0.03 3.52 0.52 -1.25 -4.89 118.95 112.09 1ai8 s ARG 206 Ca 0.59 -1.24 -0.22 0.00 -0.52 0.00 0.00 55.73 54.34 1ai8 s ARG 206 Cb -0.28 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.11 1ai8 s ARG 206 CO 0.73 0.47 0.64 -1.58 0.02 0.00 0.00 175.30 175.58 1ai8 s TRP 207 N -1.11 3.64 -0.02 -0.53 0.52 -1.26 -1.17 118.94 119.01 1ai8 s TRP 207 Ca 0.16 1.22 0.06 0.00 0.02 0.00 0.00 56.10 57.57 1ai8 s TRP 207 Cb -0.10 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.51 1ai8 s TRP 207 CO 0.08 0.25 -0.21 0.71 0.02 0.00 0.00 176.95 177.80 1ai8 s TYR 208 N 0.19 1.91 -0.46 -1.98 2.02 0.42 -2.51 117.35 116.94 1ai8 s TYR 208 Ca 0.33 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.44 1ai8 s TYR 208 Cb -0.18 -1.24 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 1ai8 s TYR 208 CO 0.18 -0.05 0.67 -1.14 -1.57 0.00 0.00 175.55 173.63 1ai8 s GLN 209 N -0.44 3.26 -0.06 -0.62 0.74 -0.25 -0.81 119.66 121.49 1ai8 s GLN 209 Ca 0.07 -0.43 0.15 0.00 0.05 0.00 0.00 55.36 55.19 1ai8 s GLN 209 Cb -0.09 -3.98 -0.22 0.00 1.10 0.00 0.00 33.01 29.82 1ai8 s GLN 209 CO -0.00 -1.08 0.55 -1.33 -0.55 0.00 0.00 175.29 172.87 1ai8 n MET 210 N 6.36 0.64 -4.07 1.67 2.81 -0.47 -4.31 117.12 119.75 1ai8 n MET 210 Ca -0.02 0.20 -0.10 0.00 -1.81 0.00 0.00 57.70 55.97 1ai8 n MET 210 Cb 0.47 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 31.18 1ai8 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ai8 s GLY 211 N -5.12 0.86 -0.10 3.03 0.00 -0.91 -1.75 107.32 103.33 1ai8 s GLY 211 Ca -0.06 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.45 1ai8 s GLY 211 CO 0.83 -1.07 -0.13 -0.42 0.00 0.00 0.00 173.10 172.31 1ai8 s ILE 212 N -4.05 1.33 -0.15 0.90 1.01 -0.83 -0.37 121.20 119.05 1ai8 s ILE 212 Ca 0.26 -0.54 -0.36 0.00 0.00 0.00 0.00 60.65 60.00 1ai8 s ILE 212 Cb 0.04 -1.24 -0.13 0.00 0.01 0.00 0.00 42.46 41.14 1ai8 s ILE 212 CO 0.05 0.41 1.83 0.52 0.00 0.00 0.00 174.94 177.75 1ai8 n VAL 213 N 4.26 0.48 0.02 2.92 0.31 -0.02 -0.23 118.33 126.07 1ai8 n VAL 213 Ca -0.19 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.05 1ai8 n VAL 213 Cb 0.51 -1.65 -0.00 0.00 -0.91 0.00 0.00 33.84 31.79 1ai8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ai8 n SER 214 N 6.16 0.72 -3.58 4.52 2.88 -0.62 -1.05 113.62 122.65 1ai8 n SER 214 Ca 0.24 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.79 1ai8 n SER 214 Cb 0.24 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.42 1ai8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ai8 s TRP 215 N -1.66 0.16 0.13 0.66 1.48 -0.92 -4.93 118.94 113.85 1ai8 s TRP 215 Ca -0.03 -0.63 -0.24 0.00 -1.06 0.00 0.00 56.10 54.14 1ai8 s TRP 215 Cb 0.00 0.53 0.08 0.00 -1.16 0.00 0.00 33.47 32.93 1ai8 s TRP 215 CO 0.04 -1.26 1.10 0.20 -4.06 0.00 0.00 176.95 172.97 1ai8 s GLY 216 N -3.02 -0.01 -0.44 3.67 0.00 -1.26 -0.19 107.32 106.08 1ai8 s GLY 216 Ca 0.17 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.78 1ai8 s GLY 216 CO 0.10 2.70 0.18 1.85 0.00 0.00 0.00 173.10 177.93 1ai8 s GLU 217 N -2.26 1.61 1.74 2.90 2.12 -1.26 -5.00 118.70 118.55 1ai8 s GLU 217 Ca 0.22 -2.18 0.00 0.00 0.36 0.00 0.00 54.97 53.37 1ai8 s GLU 217 Cb -0.01 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1ai8 s GLU 217 CO 0.03 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.10 1ai8 n GLY 219 N 3.65 -1.63 2.80 -1.50 0.00 -1.26 -4.75 105.19 102.50 1ai8 n GLY 219 Ca 0.05 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 1ai8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ai8 n ASP 221 N 4.76 -5.97 -4.78 0.00 2.03 -1.26 -4.53 116.55 106.81 1ai8 n ASP 221 Ca -0.15 -0.16 -0.37 0.00 0.52 0.00 0.00 54.79 54.63 1ai8 n ASP 221 Cb 0.50 -4.88 -0.06 0.00 -0.72 0.00 0.00 41.12 35.96 1ai8 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ai8 s ARG 221 N -5.36 4.62 0.26 -0.67 0.52 -1.26 -4.91 118.95 112.16 1ai8 s ARG 221 Ca 0.15 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.42 1ai8 s ARG 221 Cb -0.07 -2.87 -0.11 0.00 0.52 0.00 0.00 34.95 32.43 1ai8 s ARG 221 CO 0.19 0.31 1.51 -0.51 0.02 0.00 0.00 175.30 176.82 1ai8 s ASP 222 N -1.55 6.54 0.00 0.23 1.11 -1.26 -2.25 116.67 119.48 1ai8 s ASP 222 Ca 0.49 2.78 0.00 0.00 0.18 0.00 0.00 52.55 56.00 1ai8 s ASP 222 Cb -0.20 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.17 1ai8 s ASP 222 CO 0.25 -0.79 0.00 0.61 1.18 0.00 0.00 175.17 176.42 1ai8 n GLY 223 N 2.23 1.36 3.55 0.21 0.00 -1.26 -5.02 105.19 106.25 1ai8 n GLY 223 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1ai8 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ai8 s LYS 224 N -0.06 1.99 0.07 1.61 -0.14 -0.95 -4.76 119.74 117.50 1ai8 s LYS 224 Ca 0.00 -1.18 0.04 0.00 -1.36 0.00 0.00 55.97 53.47 1ai8 s LYS 224 Cb 0.00 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.94 1ai8 s LYS 224 CO 0.00 0.47 -0.12 0.71 -0.76 0.00 0.00 175.35 175.64 1ai8 s TYR 225 N -1.41 1.07 0.31 3.18 2.02 -1.26 -4.79 117.35 116.46 1ai8 s TYR 225 Ca 0.22 -0.48 -0.22 0.00 -0.37 0.00 0.00 57.07 56.21 1ai8 s TYR 225 Cb -0.10 -0.61 -0.09 0.00 -0.40 0.00 0.00 41.96 40.76 1ai8 s TYR 225 CO 0.13 0.02 0.86 0.20 -1.57 0.00 0.00 175.55 175.19 1ai8 s GLY 226 N -1.76 2.63 -0.04 0.71 0.00 -0.96 -4.59 107.32 103.31 1ai8 s GLY 226 Ca -0.03 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.05 1ai8 s GLY 226 CO 0.02 0.71 -0.07 -1.36 0.00 0.00 0.00 173.10 172.40 1ai8 s PHE 227 N -1.72 2.92 0.04 1.90 0.40 0.74 -1.47 117.98 120.79 1ai8 s PHE 227 Ca 0.50 0.00 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 1ai8 s PHE 227 Cb -0.16 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 1ai8 s PHE 227 CO 0.20 0.35 -0.15 0.71 0.70 0.00 0.00 175.22 177.04 1ai8 s TYR 228 N -0.88 1.30 0.30 0.36 1.51 0.14 -1.59 117.35 118.49 1ai8 s TYR 228 Ca 0.14 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.56 1ai8 s TYR 228 Cb -0.11 -0.77 -0.10 0.00 -0.11 0.00 0.00 41.96 40.87 1ai8 s TYR 228 CO 0.04 0.04 1.38 0.99 -1.11 0.00 0.00 175.55 176.88 1ai8 s THR 229 N -0.83 2.63 -0.61 -0.71 2.01 0.68 -1.85 115.64 116.96 1ai8 s THR 229 Ca 0.02 0.59 -0.22 0.00 0.31 0.00 0.00 61.69 62.40 1ai8 s THR 229 Cb -0.08 -3.38 0.07 0.00 0.01 0.00 0.00 72.50 69.12 1ai8 s THR 229 CO 0.01 0.12 0.88 -2.28 -0.69 0.00 0.00 174.62 172.66 1ai8 s HIS 230 N -0.69 2.79 0.13 4.92 2.46 0.85 -1.97 115.29 123.79 1ai8 s HIS 230 Ca 0.53 -0.50 -0.17 0.00 0.47 0.00 0.00 55.06 55.39 1ai8 s HIS 230 Cb -0.41 -4.11 -0.02 0.00 -0.13 0.00 0.00 32.58 27.91 1ai8 s HIS 230 CO 0.50 -1.46 1.71 0.28 -2.47 0.00 0.00 174.74 173.30 1ai8 h VAL 231 N 5.96 1.16 -0.95 0.89 2.07 -1.65 -2.93 116.25 120.80 1ai8 h VAL 231 Ca -0.28 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1ai8 h VAL 231 Cb 1.08 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1ai8 h VAL 231 CO 1.12 0.17 0.62 0.15 0.02 0.00 0.00 177.57 179.65 1ai8 h PHE 232 N 0.44 1.17 0.00 1.57 3.57 -1.86 -1.20 116.94 120.63 1ai8 h PHE 232 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1ai8 h PHE 232 Cb 0.10 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.45 1ai8 h PHE 232 CO -0.02 0.70 0.00 0.00 -2.23 0.00 0.00 178.31 176.76 1ai8 h ARG 233 N 1.23 0.00 -0.11 1.11 3.08 -1.89 -2.48 114.38 115.31 1ai8 h ARG 233 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1ai8 h ARG 233 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ai8 h ARG 233 CO -0.10 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.08 1ai8 n LEU 234 N -2.59 2.64 0.19 3.04 4.77 -0.51 -4.70 117.00 119.84 1ai8 n LEU 234 Ca -0.00 -2.54 0.04 0.00 -0.03 0.00 0.00 56.01 53.48 1ai8 n LEU 234 Cb 0.16 -0.28 0.35 0.00 -2.33 0.00 0.00 43.42 41.32 1ai8 n LEU 234 CO 0.18 0.64 0.69 0.50 -1.33 0.00 0.00 177.39 178.07 1ai8 h LYS 235 N 0.71 0.00 -0.60 3.23 3.64 -0.93 -2.63 116.57 119.99 1ai8 h LYS 235 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ai8 h LYS 235 Cb 0.88 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1ai8 h LYS 235 CO 0.04 0.39 0.17 0.87 -2.27 0.00 0.00 179.45 178.65 1ai8 h LYS 236 N 0.00 0.91 -0.23 1.90 1.57 -1.84 0.12 116.57 119.00 1ai8 h LYS 236 Ca -0.00 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1ai8 h LYS 236 Cb 0.81 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ai8 h LYS 236 CO 0.05 0.80 -0.19 2.35 -0.57 0.00 0.00 179.45 181.89 1ai8 h TRP 237 N 0.88 0.64 -0.22 -1.35 7.01 -1.85 -1.89 115.95 119.17 1ai8 h TRP 237 Ca 0.20 -0.18 0.05 0.00 2.11 0.00 0.00 58.89 61.06 1ai8 h TRP 237 Cb 0.28 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1ai8 h TRP 237 CO 0.02 0.85 -0.06 0.82 -2.79 0.00 0.00 178.44 177.28 1ai8 h ILE 238 N 0.24 0.76 -0.50 2.65 2.04 -1.07 -1.12 117.51 120.51 1ai8 h ILE 238 Ca 0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1ai8 h ILE 238 Cb 0.73 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1ai8 h ILE 238 CO 0.05 0.00 0.14 -0.61 0.00 0.00 0.00 178.15 177.73 1ai8 h GLN 239 N -0.01 0.75 -0.43 2.37 5.75 -0.80 -1.76 115.11 120.97 1ai8 h GLN 239 Ca 0.11 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 58.36 1ai8 h GLN 239 Cb 0.17 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1ai8 h GLN 239 CO -0.23 0.66 -0.20 -0.22 -2.65 0.00 0.00 178.83 176.19 1ai8 h LYS 240 N 0.73 0.86 -0.16 1.69 3.64 -0.61 0.23 116.57 122.95 1ai8 h LYS 240 Ca 0.17 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1ai8 h LYS 240 Cb 0.24 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ai8 h LYS 240 CO -0.01 0.98 -0.24 0.28 -2.27 0.00 0.00 179.45 178.19 1ai8 h VAL 241 N 0.75 1.35 -0.40 2.00 2.07 -0.96 -1.05 116.25 120.01 1ai8 h VAL 241 Ca 0.10 -1.47 -0.13 0.00 0.82 0.00 0.00 66.70 66.03 1ai8 h VAL 241 Cb 0.73 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1ai8 h VAL 241 CO 0.06 0.44 -0.24 0.40 0.02 0.00 0.00 177.57 178.25 1ai8 h ILE 242 N 0.07 1.28 -0.43 4.57 2.04 -1.26 0.40 117.51 124.19 1ai8 h ILE 242 Ca 0.01 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 1ai8 h ILE 242 Cb 0.82 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 1ai8 h ILE 242 CO 0.06 0.47 -0.01 0.44 0.00 0.00 0.00 178.15 179.10 1ai8 h ASP 243 N 0.69 0.74 0.07 1.72 3.32 -0.55 -3.00 116.42 119.41 1ai8 h ASP 243 Ca 0.09 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 56.65 1ai8 h ASP 243 Cb 0.81 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ai8 h ASP 243 CO 0.07 0.88 -0.64 -0.61 -1.72 0.00 0.00 179.24 177.21 1ai8 h GLN 244 N 0.59 0.55 -0.00 3.56 4.15 -1.20 -3.51 115.11 119.25 1ai8 h GLN 244 Ca 0.12 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1ai8 h GLN 244 Cb 0.50 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1ai8 h GLN 244 CO 0.02 1.01 0.00 1.19 -1.93 0.00 0.00 178.83 179.12