#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgn n ASP 2 N 0.00 5.23 -0.09 3.17 8.00 -1.26 -4.69 116.55 126.92 1xgn n ASP 2 Ca 0.00 -3.01 0.11 0.00 0.71 0.00 0.00 54.79 52.60 1xgn n ASP 2 Cb 0.00 -1.54 0.48 0.00 -0.02 0.00 0.00 41.12 40.04 1xgn n ASP 2 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1xgn h THR 3 N 4.43 0.92 -0.86 -3.53 1.35 -2.03 0.44 112.91 113.63 1xgn h THR 3 Ca 0.32 -0.16 0.08 0.00 -0.55 0.00 0.00 66.41 66.11 1xgn h THR 3 Cb 0.83 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.62 1xgn h THR 3 CO 1.30 0.08 0.56 -0.33 -0.25 0.00 0.00 175.52 176.88 1xgn h GLU 4 N 0.45 0.87 0.10 4.72 3.07 -1.99 0.12 114.58 121.93 1xgn h GLU 4 Ca 0.27 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1xgn h GLU 4 Cb 0.47 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1xgn h GLU 4 CO -0.08 0.58 -0.05 -0.22 -1.40 0.00 0.00 179.01 177.84 1xgn h LYS 5 N 0.90 -0.13 -0.91 2.33 1.63 -0.49 -2.20 116.57 117.69 1xgn h LYS 5 Ca 0.39 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.25 1xgn h LYS 5 Cb 0.33 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 1xgn h LYS 5 CO -0.15 0.17 0.60 -0.07 -3.45 0.00 0.00 179.45 176.55 1xgn h LEU 6 N -0.43 0.95 -0.57 5.20 4.07 -1.08 -0.22 115.31 123.23 1xgn h LEU 6 Ca -0.01 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.96 1xgn h LEU 6 Cb 0.36 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1xgn h LEU 6 CO 0.02 0.63 0.36 -0.03 -1.08 0.00 0.00 178.44 178.35 1xgn h MET 7 N 1.09 0.70 -0.39 1.13 4.05 -0.63 0.63 114.93 121.52 1xgn h MET 7 Ca 0.38 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.68 1xgn h MET 7 Cb 0.10 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1xgn h MET 7 CO -0.13 0.47 -0.07 -0.22 0.23 0.00 0.00 176.91 177.19 1xgn h LYS 8 N 0.72 0.73 -0.59 0.39 1.63 -0.74 -0.87 116.57 117.85 1xgn h LYS 8 Ca 0.22 -0.27 0.11 0.00 -0.85 0.00 0.00 60.65 59.87 1xgn h LYS 8 Cb -0.02 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.47 1xgn h LYS 8 CO -0.08 0.86 0.09 0.00 -3.45 0.00 0.00 179.45 176.87 1xgn h ALA 9 N 0.85 0.66 -0.12 5.00 0.00 0.19 -1.48 119.26 124.36 1xgn h ALA 9 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1xgn h ALA 9 Cb 0.57 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xgn h ALA 9 CO 0.03 -0.33 -0.01 0.78 0.00 0.00 0.00 179.25 179.71 1xgn h GLY 10 N 0.21 0.23 -0.09 0.00 0.00 0.47 -0.70 103.07 103.20 1xgn h GLY 10 Ca 0.31 -0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.54 1xgn h GLY 10 CO -0.43 0.17 -0.25 -2.09 0.00 0.00 0.00 176.54 173.94 1xgn h GLU 11 N -0.08 -0.17 0.93 4.80 4.81 -0.51 0.67 114.58 125.03 1xgn h GLU 11 Ca 0.03 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1xgn h GLU 11 Cb 0.40 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1xgn h GLU 11 CO 0.01 -0.11 -0.48 0.82 -0.73 0.00 0.00 179.01 178.51 1xgn h ILE 12 N -0.18 0.00 -0.92 2.32 2.04 -1.27 0.24 117.51 119.74 1xgn h ILE 12 Ca 0.19 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.20 1xgn h ILE 12 Cb 0.48 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.41 1xgn h ILE 12 CO -0.52 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.25 1xgn h ALA 13 N -1.31 0.12 -0.58 1.87 0.00 -0.09 0.93 119.26 120.20 1xgn h ALA 13 Ca -0.13 0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1xgn h ALA 13 Cb 1.01 0.97 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1xgn h ALA 13 CO 0.18 -0.63 0.06 1.57 0.00 0.00 0.00 179.25 180.43 1xgn h LYS 14 N -0.03 0.97 0.02 0.00 2.10 0.55 0.41 116.57 120.58 1xgn h LYS 14 Ca 0.33 -0.26 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1xgn h LYS 14 Cb 0.59 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1xgn h LYS 14 CO -0.93 0.92 -0.03 0.87 -2.00 0.00 0.00 179.45 178.28 1xgn h LYS 15 N 0.90 -0.05 -0.98 0.07 1.79 0.43 0.29 116.57 119.02 1xgn h LYS 15 Ca 0.18 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.89 1xgn h LYS 15 Cb 0.45 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 1xgn h LYS 15 CO 0.02 -0.03 0.65 -0.24 -1.08 0.00 0.00 179.45 178.76 1xgn h VAL 16 N -0.05 0.59 0.84 0.50 3.04 -0.88 0.22 116.25 120.52 1xgn h VAL 16 Ca -0.00 -0.12 -0.04 0.00 -1.01 0.00 0.00 66.70 65.52 1xgn h VAL 16 Cb 0.05 0.20 0.01 0.00 -2.01 0.00 0.00 31.29 29.53 1xgn h VAL 16 CO -0.01 0.07 -0.43 -0.09 -1.01 0.00 0.00 177.57 176.10 1xgn h ARG 17 N 0.36 -1.12 -0.14 4.17 2.43 0.91 0.61 114.38 121.60 1xgn h ARG 17 Ca 0.53 0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.80 1xgn h ARG 17 Cb 1.40 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 1xgn h ARG 17 CO -0.21 -0.74 0.10 0.93 -1.51 0.00 0.00 179.97 178.54 1xgn h GLU 18 N -1.16 0.04 -0.03 0.20 5.08 0.13 0.19 114.58 119.03 1xgn h GLU 18 Ca -0.12 -0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.00 1xgn h GLU 18 Cb 0.90 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.15 1xgn h GLU 18 CO 0.18 0.02 -0.95 0.87 -1.00 0.00 0.00 179.01 178.13 1xgn h LYS 19 N 0.04 0.60 -0.44 2.33 1.57 -0.27 -3.14 116.57 117.27 1xgn h LYS 19 Ca 0.06 -0.61 -0.13 0.00 -1.87 0.00 0.00 60.65 58.11 1xgn h LYS 19 Cb 0.21 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1xgn h LYS 19 CO -0.00 1.22 -0.23 0.00 -0.57 0.00 0.00 179.45 179.87 1xgn h ALA 20 N 0.57 0.76 -0.97 3.86 0.00 0.23 -2.72 119.26 120.99 1xgn h ALA 20 Ca -0.10 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1xgn h ALA 20 Cb 1.59 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1xgn h ALA 20 CO 0.18 0.66 0.61 0.82 0.00 0.00 0.00 179.25 181.52 1xgn h ILE 21 N 0.77 0.97 -0.15 0.00 2.04 -0.73 0.39 117.51 120.81 1xgn h ILE 21 Ca 0.10 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xgn h ILE 21 Cb 0.78 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1xgn h ILE 21 CO 0.06 0.18 0.00 0.29 0.00 0.00 0.00 178.15 178.69 1xgn n LYS 22 N -4.61 1.39 -0.09 2.37 4.76 -1.03 -3.30 118.16 117.64 1xgn n LYS 22 Ca 0.17 -0.55 0.05 0.00 -2.87 0.00 0.00 58.31 55.12 1xgn n LYS 22 Cb 0.29 -1.17 0.10 0.00 -1.84 0.00 0.00 35.03 32.40 1xgn n LYS 22 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1xgn n LEU 23 N -0.04 2.42 -2.84 -0.35 0.00 0.12 -4.74 117.00 111.57 1xgn n LEU 23 Ca 0.05 -2.52 -0.34 0.00 0.00 0.00 0.00 56.01 53.20 1xgn n LEU 23 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 43.42 43.33 1xgn n LEU 23 CO 0.04 0.62 1.63 0.00 0.00 0.00 0.00 177.39 179.68 1xgn n ALA 24 N -0.76 6.49 -2.38 1.96 0.00 -1.21 -4.97 120.51 119.65 1xgn n ALA 24 Ca 0.09 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.42 1xgn n ALA 24 Cb 0.48 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1xgn n ALA 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xgn s ARG 25 N -2.82 4.37 0.33 0.00 3.52 -1.26 -4.16 118.95 118.94 1xgn s ARG 25 Ca 0.54 1.80 -0.26 0.00 -0.13 0.00 0.00 55.73 57.68 1xgn s ARG 25 Cb 0.37 -3.45 -0.14 0.00 -1.56 0.00 0.00 34.95 30.18 1xgn s ARG 25 CO -0.28 -0.39 0.80 -0.35 -0.81 0.00 0.00 175.30 174.27 1xgn n PRO 26 N 4.58 0.92 -1.88 5.12 -0.04 -1.26 -3.68 135.00 138.77 1xgn n PRO 26 Ca 0.11 0.33 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 1xgn n PRO 26 Cb 0.45 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1xgn n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xgn n GLY 27 N 1.50 -1.99 3.49 0.55 0.00 -0.77 -4.97 105.19 103.00 1xgn n GLY 27 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1xgn n GLY 27 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xgn s MET 28 N -1.01 0.34 0.00 1.61 0.00 -1.24 -4.90 119.30 114.10 1xgn s MET 28 Ca 0.04 0.75 -0.30 0.00 0.00 0.00 0.00 55.69 56.18 1xgn s MET 28 Cb -0.01 0.35 -0.09 0.00 0.00 0.00 0.00 34.83 35.08 1xgn s MET 28 CO 0.23 -0.10 2.01 1.28 0.00 0.00 0.00 175.02 178.43 1xgn n LEU 29 N 4.61 4.05 -0.30 4.11 7.99 -1.26 -2.00 117.00 134.20 1xgn n LEU 29 Ca -0.12 0.82 0.13 0.00 -0.01 0.00 0.00 56.01 56.82 1xgn n LEU 29 Cb 0.54 -1.53 0.30 0.00 -0.11 0.00 0.00 43.42 42.62 1xgn n LEU 29 CO -0.02 0.09 1.04 -0.07 -1.51 0.00 0.00 177.39 176.92 1xgn h LEU 30 N 11.13 0.32 -0.00 2.23 -0.00 -1.40 0.16 115.31 127.74 1xgn h LEU 30 Ca -0.49 0.15 0.03 0.00 -0.00 0.00 0.00 57.88 57.58 1xgn h LEU 30 Cb 1.24 0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.99 1xgn h LEU 30 CO 0.94 -0.00 -0.33 0.25 -0.00 0.00 0.00 178.44 179.30 1xgn h LEU 31 N 0.40 -0.99 -0.22 1.67 6.46 -1.87 0.38 115.31 121.14 1xgn h LEU 31 Ca 0.55 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 58.46 1xgn h LEU 31 Cb 1.04 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 1xgn h LEU 31 CO -0.53 -0.39 0.10 -0.08 -0.62 0.00 0.00 178.44 176.93 1xgn h GLU 32 N -0.48 0.22 -0.21 1.25 4.81 -1.18 0.25 114.58 119.23 1xgn h GLU 32 Ca 0.06 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1xgn h GLU 32 Cb 0.57 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1xgn h GLU 32 CO -0.27 0.15 -0.20 1.25 -0.73 0.00 0.00 179.01 179.21 1xgn h LEU 33 N 0.23 -0.63 0.35 1.64 6.46 -0.17 0.64 115.31 123.84 1xgn h LEU 33 Ca 0.09 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1xgn h LEU 33 Cb 0.03 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1xgn h LEU 33 CO -0.07 -0.24 -0.35 0.00 -0.62 0.00 0.00 178.44 177.16 1xgn h ALA 34 N 0.87 -1.04 -0.97 1.25 0.00 0.19 -1.98 119.26 117.59 1xgn h ALA 34 Ca 0.13 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1xgn h ALA 34 Cb 0.40 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.65 1xgn h ALA 34 CO -0.34 -1.06 -0.53 0.39 0.00 0.00 0.00 179.25 177.72 1xgn n GLU 35 N -4.52 -0.38 0.12 0.00 -0.58 0.84 -1.39 120.64 114.73 1xgn n GLU 35 Ca -0.08 1.47 -0.13 0.00 -0.42 0.00 0.00 57.16 57.99 1xgn n GLU 35 Cb 0.32 -2.16 -0.06 0.00 -0.57 0.00 0.00 31.44 28.97 1xgn n GLU 35 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1xgn h SER 36 N 0.00 -0.99 -0.68 1.62 0.02 -0.74 -0.42 113.55 112.36 1xgn h SER 36 Ca 0.20 0.11 0.14 0.00 -0.84 0.00 0.00 61.79 61.40 1xgn h SER 36 Cb 0.44 0.38 -0.13 0.00 0.14 0.00 0.00 62.40 63.23 1xgn h SER 36 CO -0.92 -0.43 -0.15 0.40 -1.14 0.00 0.00 176.83 174.59 1xgn h ILE 37 N -0.57 0.33 -0.18 3.27 2.04 -0.44 0.52 117.51 122.48 1xgn h ILE 37 Ca 0.03 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 1xgn h ILE 37 Cb 0.60 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1xgn h ILE 37 CO -0.20 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.68 1xgn h GLU 38 N 0.01 0.13 -0.91 2.37 5.08 -0.29 0.46 114.58 121.44 1xgn h GLU 38 Ca 0.33 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.72 1xgn h GLU 38 Cb 0.51 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1xgn h GLU 38 CO -0.68 0.09 0.59 0.87 -1.00 0.00 0.00 179.01 178.87 1xgn h LYS 39 N 0.14 1.12 -0.22 2.33 6.56 0.76 0.14 116.57 127.40 1xgn h LYS 39 Ca 0.08 -0.07 0.03 0.00 -1.06 0.00 0.00 60.65 59.63 1xgn h LYS 39 Cb 0.05 -0.25 -0.03 0.00 -0.57 0.00 0.00 32.23 31.43 1xgn h LYS 39 CO -0.09 0.74 0.03 1.98 -2.06 0.00 0.00 179.45 180.05 1xgn h MET 40 N 1.15 0.10 -0.93 3.15 4.05 0.10 0.48 114.93 123.04 1xgn h MET 40 Ca 0.36 -0.01 0.15 0.00 -0.28 0.00 0.00 59.70 59.92 1xgn h MET 40 Cb -0.01 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 30.67 1xgn h MET 40 CO -0.12 0.07 0.54 0.82 0.23 0.00 0.00 176.91 178.45 1xgn h ILE 41 N 0.11 0.79 0.28 1.77 2.04 0.13 -0.95 117.51 121.67 1xgn h ILE 41 Ca 0.10 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 1xgn h ILE 41 Cb 0.11 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1xgn h ILE 41 CO -0.15 0.14 -0.13 0.24 0.00 0.00 0.00 178.15 178.25 1xgn h MET 42 N 0.78 -0.36 -0.49 2.37 2.86 0.22 -2.63 114.93 117.69 1xgn h MET 42 Ca 0.50 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.26 1xgn h MET 42 Cb 0.65 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 32.30 1xgn h MET 42 CO -0.33 -0.14 -0.14 0.93 1.06 0.00 0.00 176.91 178.28 1xgn h GLU 43 N -0.51 -0.03 0.00 1.72 5.08 0.10 0.28 114.58 121.22 1xgn h GLU 43 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xgn h GLU 43 Cb 0.38 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xgn h GLU 43 CO 0.06 -0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.33 1xgn n LEU 44 N -5.37 0.00 -1.72 1.33 4.32 -0.63 -4.81 117.00 110.13 1xgn n LEU 44 Ca 0.04 0.17 -0.04 0.00 -0.02 0.00 0.00 56.01 56.17 1xgn n LEU 44 Cb 0.27 -0.17 0.02 0.00 -1.62 0.00 0.00 43.42 41.92 1xgn n LEU 44 CO 0.10 -0.16 0.02 0.61 -1.22 0.00 0.00 177.39 176.74 1xgn n GLY 45 N -0.98 0.32 3.33 -0.72 0.00 0.09 -5.04 105.19 102.19 1xgn n GLY 45 Ca 0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1xgn n GLY 45 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xgn s GLY 46 N -3.23 -0.30 -0.14 -0.02 0.00 -1.00 -4.99 107.32 97.63 1xgn s GLY 46 Ca 0.04 0.94 -0.07 0.00 0.00 0.00 0.00 44.72 45.64 1xgn s GLY 46 CO 0.18 0.73 0.10 0.54 0.00 0.00 0.00 173.10 174.64 1xgn s LYS 47 N -0.49 3.61 0.11 2.90 -0.14 -1.05 -3.65 119.74 121.02 1xgn s LYS 47 Ca -0.06 -0.24 -0.33 0.00 -1.36 0.00 0.00 55.97 53.98 1xgn s LYS 47 Cb -0.03 -3.17 -0.12 0.00 -1.68 0.00 0.00 37.83 32.83 1xgn s LYS 47 CO 0.03 0.57 1.75 -2.30 -0.76 0.00 0.00 175.35 174.64 1xgn n PRO 48 N 2.63 2.46 0.11 -1.68 -0.02 -1.26 0.40 135.00 137.64 1xgn n PRO 48 Ca -0.18 0.89 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 1xgn n PRO 48 Cb 0.54 -2.73 0.44 0.00 -0.02 0.00 0.00 33.50 31.72 1xgn n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xgn n ALA 49 N 4.90 2.08 -3.58 3.55 0.00 -0.69 -4.74 120.51 122.03 1xgn n ALA 49 Ca 0.18 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1xgn n ALA 49 Cb 0.33 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 1xgn n ALA 49 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1xgn s PHE 50 N -3.16 -0.18 0.47 0.00 -0.71 -1.26 -4.18 117.98 108.95 1xgn s PHE 50 Ca 0.09 0.15 -0.23 0.00 -1.04 0.00 0.00 56.93 55.89 1xgn s PHE 50 Cb 0.12 0.51 -0.09 0.00 -1.21 0.00 0.00 43.02 42.35 1xgn s PHE 50 CO 0.52 -0.26 1.03 -2.30 -1.34 0.00 0.00 175.22 172.87 1xgn n PRO 51 N -0.01 1.33 -2.22 1.99 -0.02 -1.26 -4.50 135.00 130.31 1xgn n PRO 51 Ca -0.02 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 1xgn n PRO 51 Cb 0.59 -2.12 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 1xgn n PRO 51 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xgn s VAL 52 N -1.33 3.86 -0.16 -1.45 0.11 -1.26 -4.86 120.40 115.31 1xgn s VAL 52 Ca 0.66 0.98 -0.23 0.00 -2.93 0.00 0.00 61.98 60.45 1xgn s VAL 52 Cb -0.51 -3.83 -0.02 0.00 -1.53 0.00 0.00 36.38 30.48 1xgn s VAL 52 CO 0.55 -0.31 0.74 0.20 -3.33 0.00 0.00 175.10 172.95 1xgn s ASN 53 N 3.58 6.87 -0.49 3.54 0.02 -1.12 -4.67 114.94 122.67 1xgn s ASN 53 Ca 0.66 1.06 0.03 0.00 -1.02 0.00 0.00 52.86 53.59 1xgn s ASN 53 Cb -0.23 -2.41 0.13 0.00 0.02 0.00 0.00 41.25 38.76 1xgn s ASN 53 CO 0.26 -0.31 0.26 -0.76 0.02 0.00 0.00 177.10 176.57 1xgn s LEU 54 N 1.83 3.58 -0.57 0.60 1.43 -0.58 -1.58 118.68 123.40 1xgn s LEU 54 Ca 0.35 -2.86 -0.09 0.00 -1.03 0.00 0.00 54.13 50.50 1xgn s LEU 54 Cb -0.16 -1.36 0.15 0.00 0.03 0.00 0.00 46.19 44.84 1xgn s LEU 54 CO 0.13 -0.24 0.44 -0.94 0.23 0.00 0.00 176.35 175.97 1xgn s SER 55 N -0.03 5.80 0.32 2.29 1.04 -1.07 -4.67 113.70 117.38 1xgn s SER 55 Ca 0.18 -2.24 -0.28 0.00 0.48 0.00 0.00 55.95 54.09 1xgn s SER 55 Cb -0.25 -2.02 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 1xgn s SER 55 CO -0.00 -0.61 1.07 0.27 0.98 0.00 0.00 173.24 174.95 1xgn s ILE 56 N 0.86 3.60 0.00 -1.02 -0.00 -1.26 -2.99 121.20 120.40 1xgn s ILE 56 Ca 0.10 1.48 0.00 0.00 -0.00 0.00 0.00 60.65 62.23 1xgn s ILE 56 Cb -0.22 -3.89 0.00 0.00 -0.00 0.00 0.00 42.46 38.35 1xgn s ILE 56 CO -0.03 0.26 0.00 0.59 -0.00 0.00 0.00 174.94 175.76 1xgn n ASN 57 N 0.80 0.00 0.06 4.36 3.02 0.52 -2.00 115.26 122.02 1xgn n ASN 57 Ca 0.01 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.67 1xgn n ASN 57 Cb 0.46 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.09 1xgn n ASN 57 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xgn n GLU 58 N 0.00 0.12 -2.56 3.52 0.00 -1.26 -1.40 120.64 119.06 1xgn n GLU 58 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 57.16 56.96 1xgn n GLU 58 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 31.44 29.74 1xgn n GLU 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xgn s ILE 59 N -3.11 4.29 0.01 3.84 1.01 -0.85 -1.49 121.20 124.90 1xgn s ILE 59 Ca 0.09 1.43 -0.25 0.00 0.00 0.00 0.00 60.65 61.91 1xgn s ILE 59 Cb 0.12 -4.40 -0.18 0.00 0.01 0.00 0.00 42.46 38.01 1xgn s ILE 59 CO 0.44 -0.65 1.38 0.00 0.00 0.00 0.00 174.94 176.10 1xgn h ALA 60 N 8.88 -0.10 -1.44 9.38 0.00 -1.01 -3.40 119.26 131.57 1xgn h ALA 60 Ca -0.23 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 54.84 1xgn h ALA 60 Cb 1.07 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 1xgn h ALA 60 CO 1.06 -0.39 0.83 0.00 0.00 0.00 0.00 179.25 180.75 1xgn s ALA 61 N -4.88 -2.23 0.00 0.00 0.00 -1.21 -4.88 121.76 108.56 1xgn s ALA 61 Ca -0.15 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1xgn s ALA 61 Cb 0.03 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1xgn s ALA 61 CO 0.64 -1.03 0.00 0.72 0.00 0.00 0.00 175.76 176.09 1xgn n HIS 62 N -0.47 0.00 -4.12 0.00 8.25 -1.26 -0.88 115.22 116.73 1xgn n HIS 62 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 1xgn n HIS 62 Cb 0.63 -0.49 -0.11 0.00 1.12 0.00 0.00 29.99 31.14 1xgn n HIS 62 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1xgn s TYR 63 N -2.00 3.17 -0.07 4.41 6.14 -1.26 -3.92 117.35 123.82 1xgn s TYR 63 Ca 0.00 -0.07 -0.02 0.00 0.64 0.00 0.00 57.07 57.62 1xgn s TYR 63 Cb 0.00 -2.05 0.03 0.00 0.42 0.00 0.00 41.96 40.37 1xgn s TYR 63 CO 0.00 0.07 0.04 -0.08 0.64 0.00 0.00 175.55 176.23 1xgn s THR 64 N 0.42 0.07 1.03 4.34 -1.32 -1.26 -1.52 115.64 117.40 1xgn s THR 64 Ca 0.01 0.21 -0.15 0.00 -1.21 0.00 0.00 61.69 60.55 1xgn s THR 64 Cb -0.13 -0.36 0.07 0.00 -1.51 0.00 0.00 72.50 70.57 1xgn s THR 64 CO 0.01 0.13 0.24 -0.81 -2.21 0.00 0.00 174.62 171.98 1xgn n PRO 65 N 5.24 -0.93 -4.11 7.08 -0.04 -1.26 -4.85 135.00 136.14 1xgn n PRO 65 Ca -0.05 -0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.03 1xgn n PRO 65 Cb 0.50 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 32.04 1xgn n PRO 65 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xgn s TYR 66 N -2.32 0.67 0.04 0.54 -0.85 -1.26 -4.54 117.35 109.63 1xgn s TYR 66 Ca 0.57 -0.39 -0.37 0.00 -0.52 0.00 0.00 57.07 56.36 1xgn s TYR 66 Cb -0.17 -0.40 -0.16 0.00 0.38 0.00 0.00 41.96 41.61 1xgn s TYR 66 CO 0.67 -0.05 1.46 1.63 -1.52 0.00 0.00 175.55 177.73 1xgn n LYS 67 N 1.85 1.37 -1.38 -3.49 4.76 -1.26 -0.99 118.16 119.02 1xgn n LYS 67 Ca -0.20 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1xgn n LYS 67 Cb 0.55 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 1xgn n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xgn n GLY 68 N 2.98 0.98 3.46 0.72 0.00 -1.26 -5.06 105.19 107.01 1xgn n GLY 68 Ca 0.19 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1xgn n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xgn s ASP 69 N -2.62 4.71 0.08 1.61 3.68 -0.16 -5.02 116.67 118.95 1xgn s ASP 69 Ca 0.00 -0.18 0.19 0.00 2.13 0.00 0.00 52.55 54.69 1xgn s ASP 69 Cb 0.00 -1.78 -0.13 0.00 -1.45 0.00 0.00 42.92 39.56 1xgn s ASP 69 CO 0.00 0.13 0.80 0.35 0.13 0.00 0.00 175.17 176.57 1xgn n THR 70 N 3.82 0.86 -1.70 1.71 -2.24 -1.26 -4.79 114.28 110.68 1xgn n THR 70 Ca -0.17 -0.63 -0.60 0.00 -2.27 0.00 0.00 64.05 60.38 1xgn n THR 70 Cb 0.52 -0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 1xgn n THR 70 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xgn n THR 71 N -2.73 0.19 -4.45 4.28 -2.24 -1.26 -4.84 114.28 103.23 1xgn n THR 71 Ca -0.07 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 1xgn n THR 71 Cb 0.73 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.87 1xgn n THR 71 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1xgn s VAL 72 N 2.93 1.23 0.92 2.28 -7.23 -1.26 -1.01 120.40 118.26 1xgn s VAL 72 Ca 0.98 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 60.06 1xgn s VAL 72 Cb -1.17 -1.09 0.15 0.00 0.56 0.00 0.00 36.38 34.83 1xgn s VAL 72 CO 0.67 0.09 1.14 -0.76 -0.31 0.00 0.00 175.10 175.93 1xgn s LEU 73 N -1.04 2.73 0.12 1.32 1.43 -0.85 -4.79 118.68 117.60 1xgn s LEU 73 Ca 0.03 2.12 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1xgn s LEU 73 Cb -0.08 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 1xgn s LEU 73 CO 0.01 -3.11 -0.02 -0.54 0.23 0.00 0.00 176.35 172.93 1xgn s LYS 74 N -4.66 0.89 -0.21 1.70 1.02 -1.26 -1.85 119.74 115.38 1xgn s LYS 74 Ca 0.66 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 1xgn s LYS 74 Cb -0.22 -0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.00 1xgn s LYS 74 CO 0.58 -0.11 1.56 -2.00 -0.92 0.00 0.00 175.35 174.46 1xgn s GLU 75 N -3.91 3.87 0.00 1.68 2.12 -1.26 -2.17 118.70 119.03 1xgn s GLU 75 Ca 0.17 1.66 0.00 0.00 0.36 0.00 0.00 54.97 57.16 1xgn s GLU 75 Cb 0.06 -3.99 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1xgn s GLU 75 CO -0.02 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.92 1xgn n GLY 76 N 4.50 0.74 3.77 -1.50 0.00 -0.83 -5.02 105.19 106.86 1xgn n GLY 76 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1xgn n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgn s ASP 77 N -1.85 6.53 -0.75 1.61 -0.00 -0.92 -4.76 116.67 116.53 1xgn s ASP 77 Ca 0.00 2.21 -0.12 0.00 -0.00 0.00 0.00 52.55 54.65 1xgn s ASP 77 Cb 0.00 -2.60 0.20 0.00 -0.00 0.00 0.00 42.92 40.52 1xgn s ASP 77 CO 0.00 -0.66 0.67 -0.31 -0.00 0.00 0.00 175.17 174.87 1xgn s TYR 78 N -1.54 3.64 0.13 4.23 1.51 -1.26 -0.10 117.35 123.96 1xgn s TYR 78 Ca 0.59 -2.09 -0.29 0.00 -1.01 0.00 0.00 57.07 54.28 1xgn s TYR 78 Cb -0.27 -3.68 -0.07 0.00 -0.11 0.00 0.00 41.96 37.84 1xgn s TYR 78 CO 0.33 -0.96 0.90 -1.17 -1.11 0.00 0.00 175.55 173.54 1xgn s LEU 79 N 0.26 4.53 -0.34 -1.29 2.96 0.11 -0.36 118.68 124.55 1xgn s LEU 79 Ca 0.16 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.84 1xgn s LEU 79 Cb -0.14 -3.49 0.10 0.00 0.50 0.00 0.00 46.19 43.15 1xgn s LEU 79 CO -0.07 0.02 0.05 -0.54 -1.32 0.00 0.00 176.35 174.49 1xgn s LYS 80 N -0.33 1.57 -0.25 1.98 1.02 -1.16 -0.05 119.74 122.52 1xgn s LYS 80 Ca 0.43 -1.84 -0.19 0.00 0.02 0.00 0.00 55.97 54.39 1xgn s LYS 80 Cb -0.23 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1xgn s LYS 80 CO 0.29 -0.93 0.54 0.42 -0.92 0.00 0.00 175.35 174.75 1xgn s ILE 81 N 0.93 5.06 -0.29 2.17 1.01 -0.46 -2.60 121.20 127.03 1xgn s ILE 81 Ca 0.10 0.96 0.02 0.00 0.00 0.00 0.00 60.65 61.73 1xgn s ILE 81 Cb -0.19 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.49 1xgn s ILE 81 CO -0.07 0.09 -0.05 -0.62 0.00 0.00 0.00 174.94 174.29 1xgn s ASP 82 N 1.44 4.60 0.00 3.58 3.68 -0.61 -1.00 116.67 128.37 1xgn s ASP 82 Ca 0.23 -1.54 -0.01 0.00 2.13 0.00 0.00 52.55 53.36 1xgn s ASP 82 Cb -0.16 -1.60 -0.04 0.00 -1.45 0.00 0.00 42.92 39.68 1xgn s ASP 82 CO 0.09 -0.25 0.11 -0.69 0.13 0.00 0.00 175.17 174.56 1xgn s VAL 83 N 1.09 4.88 -0.05 1.11 1.01 0.68 -2.81 120.40 126.30 1xgn s VAL 83 Ca -0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1xgn s VAL 83 Cb -0.20 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1xgn s VAL 83 CO -0.05 0.32 0.16 -0.83 0.00 0.00 0.00 175.10 174.70 1xgn s GLY 84 N -1.85 -0.10 0.06 4.51 0.00 -1.26 -1.71 107.32 106.97 1xgn s GLY 84 Ca 0.25 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 45.28 1xgn s GLY 84 CO 0.16 0.31 0.15 -1.34 0.00 0.00 0.00 173.10 172.38 1xgn s VAL 85 N -0.11 0.14 0.01 1.40 -7.23 -0.83 -1.70 120.40 112.08 1xgn s VAL 85 Ca -0.02 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 58.94 1xgn s VAL 85 Cb -0.02 -1.17 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 1xgn s VAL 85 CO 0.00 -0.64 0.09 -1.38 -0.31 0.00 0.00 175.10 172.86 1xgn s HIS 86 N -3.32 0.12 -0.21 2.82 -3.43 0.16 -1.44 115.29 110.01 1xgn s HIS 86 Ca 0.01 -0.29 0.01 0.00 -0.80 0.00 0.00 55.06 53.99 1xgn s HIS 86 Cb 0.03 -0.10 0.04 0.00 -1.43 0.00 0.00 32.58 31.12 1xgn s HIS 86 CO -0.08 -0.27 -0.12 0.42 -2.00 0.00 0.00 174.74 172.70 1xgn s ILE 87 N -1.56 1.79 0.00 -5.38 -1.09 0.58 -2.54 121.20 112.99 1xgn s ILE 87 Ca -0.14 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1xgn s ILE 87 Cb -0.07 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 1xgn s ILE 87 CO 0.00 0.17 0.00 0.47 -1.23 0.00 0.00 174.94 174.35 1xgn n ASP 88 N 4.63 -3.55 0.00 3.58 10.43 -1.26 -0.12 116.55 130.26 1xgn n ASP 88 Ca -0.15 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.21 1xgn n ASP 88 Cb 0.46 -2.92 0.00 0.00 1.84 0.00 0.00 41.12 40.50 1xgn n ASP 88 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xgn n GLY 89 N -0.33 1.83 3.63 0.44 0.00 -1.26 -4.96 105.19 104.54 1xgn n GLY 89 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1xgn n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xgn s PHE 90 N -1.69 3.14 0.58 1.61 0.08 0.83 -2.44 117.98 120.09 1xgn s PHE 90 Ca 0.00 1.08 -0.08 0.00 0.12 0.00 0.00 56.93 58.05 1xgn s PHE 90 Cb 0.00 -3.64 -0.02 0.00 -0.57 0.00 0.00 43.02 38.79 1xgn s PHE 90 CO 0.00 -0.76 0.93 0.42 -0.10 0.00 0.00 175.22 175.71 1xgn s ILE 91 N 3.55 4.45 -0.22 0.64 -1.09 -1.26 -0.31 121.20 126.96 1xgn s ILE 91 Ca 0.43 0.44 -0.09 0.00 -2.23 0.00 0.00 60.65 59.20 1xgn s ILE 91 Cb -0.12 -3.75 0.09 0.00 -1.58 0.00 0.00 42.46 37.10 1xgn s ILE 91 CO 0.16 -0.87 0.49 0.00 -1.23 0.00 0.00 174.94 173.49 1xgn s ALA 92 N -3.02 -1.38 -0.13 9.38 0.00 -0.52 -4.80 121.76 121.30 1xgn s ALA 92 Ca 0.53 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.25 1xgn s ALA 92 Cb -0.11 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1xgn s ALA 92 CO 0.49 -0.64 -0.12 0.34 0.00 0.00 0.00 175.76 175.82 1xgn s ASP 93 N 2.31 2.45 0.04 0.00 2.15 -1.26 -1.97 116.67 120.38 1xgn s ASP 93 Ca -0.05 -0.41 0.01 0.00 0.43 0.00 0.00 52.55 52.53 1xgn s ASP 93 Cb -0.10 -1.04 -0.02 0.00 -0.30 0.00 0.00 42.92 41.45 1xgn s ASP 93 CO -0.15 -0.06 -0.06 -0.89 -0.17 0.00 0.00 175.17 173.84 1xgn s THR 94 N 1.46 0.40 0.05 1.71 2.01 -0.70 -2.80 115.64 117.78 1xgn s THR 94 Ca 0.03 -1.07 -0.10 0.00 0.31 0.00 0.00 61.69 60.85 1xgn s THR 94 Cb -0.13 -0.56 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1xgn s THR 94 CO -0.08 -0.45 0.21 0.00 -0.69 0.00 0.00 174.62 173.61 1xgn s ALA 95 N -1.54 -0.39 -0.03 7.40 0.00 -1.04 -0.23 121.76 125.92 1xgn s ALA 95 Ca -0.11 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.36 1xgn s ALA 95 Cb -0.09 0.33 0.04 0.00 0.00 0.00 0.00 23.12 23.40 1xgn s ALA 95 CO -0.00 -0.40 0.42 0.14 0.00 0.00 0.00 175.76 175.91 1xgn s VAL 96 N -2.84 0.04 0.15 0.00 -7.23 -0.17 -0.22 120.40 110.13 1xgn s VAL 96 Ca -0.03 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1xgn s VAL 96 Cb 0.00 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.18 1xgn s VAL 96 CO -0.05 -0.18 0.32 -0.89 -0.31 0.00 0.00 175.10 173.98 1xgn s THR 97 N -1.28 5.27 -0.14 5.32 2.01 -0.68 -1.35 115.64 124.79 1xgn s THR 97 Ca -0.13 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1xgn s THR 97 Cb -0.04 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.84 1xgn s THR 97 CO 0.06 -0.07 0.24 -0.69 -0.69 0.00 0.00 174.62 173.47 1xgn s VAL 98 N -1.74 -0.37 -0.68 3.82 1.01 0.92 -4.97 120.40 118.40 1xgn s VAL 98 Ca 0.37 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1xgn s VAL 98 Cb -0.11 -0.49 0.06 0.00 0.00 0.00 0.00 36.38 35.83 1xgn s VAL 98 CO 0.28 0.03 1.06 -0.60 0.00 0.00 0.00 175.10 175.88 1xgn s ARG 99 N 2.38 3.15 -0.41 2.72 3.52 -1.25 0.08 118.95 129.13 1xgn s ARG 99 Ca 0.03 -0.60 -0.41 0.00 -0.13 0.00 0.00 55.73 54.62 1xgn s ARG 99 Cb -0.13 -4.20 -0.16 0.00 -1.56 0.00 0.00 34.95 28.90 1xgn s ARG 99 CO -0.09 -1.89 1.99 0.28 -0.81 0.00 0.00 175.30 174.77 1xgn n VAL 100 N 6.09 0.11 -1.54 7.11 0.31 0.86 -1.46 118.33 129.82 1xgn n VAL 100 Ca -0.01 -0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1xgn n VAL 100 Cb 0.47 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 1xgn n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xgn n GLY 101 N 6.01 0.66 3.44 2.92 0.00 -1.26 -1.96 105.19 115.00 1xgn n GLY 101 Ca 0.42 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1xgn n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xgn s MET 102 N -3.24 1.38 0.67 1.61 1.00 -0.53 -4.89 119.30 115.30 1xgn s MET 102 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 55.69 54.27 1xgn s MET 102 Cb 0.00 0.40 0.01 0.00 0.00 0.00 0.00 34.83 35.24 1xgn s MET 102 CO 0.00 -0.54 1.05 -1.21 0.00 0.00 0.00 175.02 174.32 1xgn s GLU 103 N -4.04 2.96 0.62 2.03 8.01 -1.26 -4.54 118.70 122.49 1xgn s GLU 103 Ca 0.25 0.40 -0.18 0.00 0.01 0.00 0.00 54.97 55.46 1xgn s GLU 103 Cb 0.02 -2.08 -0.02 0.00 -4.31 0.00 0.00 34.13 27.74 1xgn s GLU 103 CO 0.08 -0.91 1.18 -1.83 0.01 0.00 0.00 175.26 173.79 1xgn s GLU 104 N -5.26 2.85 0.43 1.61 -1.05 -1.26 -4.81 118.70 111.20 1xgn s GLU 104 Ca 0.57 1.72 0.06 0.00 -0.15 0.00 0.00 54.97 57.17 1xgn s GLU 104 Cb -0.11 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 31.60 1xgn s GLU 104 CO 0.51 -1.27 0.08 0.16 0.95 0.00 0.00 175.26 175.68 1xgn s ASP 105 N -1.84 4.12 0.27 0.83 1.47 -1.26 -5.00 116.67 115.25 1xgn s ASP 105 Ca 0.75 -1.30 -0.04 0.00 1.18 0.00 0.00 52.55 53.13 1xgn s ASP 105 Cb -0.28 -0.29 0.52 0.00 -0.34 0.00 0.00 42.92 42.53 1xgn s ASP 105 CO 0.36 -0.55 1.45 1.21 0.68 0.00 0.00 175.17 178.31 1xgn n GLU 106 N -1.12 -0.08 0.48 2.11 4.07 -1.26 -1.38 120.64 123.45 1xgn n GLU 106 Ca -0.05 1.42 -0.20 0.00 -0.06 0.00 0.00 57.16 58.27 1xgn n GLU 106 Cb 0.66 -2.17 -0.10 0.00 -0.06 0.00 0.00 31.44 29.77 1xgn n GLU 106 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1xgn h LEU 107 N 0.00 -1.01 -0.99 4.31 6.46 -1.96 -2.16 115.31 119.96 1xgn h LEU 107 Ca 0.49 0.03 0.27 0.00 -0.12 0.00 0.00 57.88 58.55 1xgn h LEU 107 Cb 0.84 0.26 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 1xgn h LEU 107 CO -0.92 -0.72 0.55 0.24 -0.62 0.00 0.00 178.44 176.97 1xgn h MET 108 N -1.20 0.43 0.43 1.25 2.86 -1.63 0.85 114.93 117.92 1xgn h MET 108 Ca -0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1xgn h MET 108 Cb 0.92 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1xgn h MET 108 CO 0.20 0.29 -0.49 1.49 1.06 0.00 0.00 176.91 179.46 1xgn h GLU 109 N 0.45 -0.89 -0.90 1.72 4.81 -0.86 -2.10 114.58 116.79 1xgn h GLU 109 Ca 0.67 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 60.07 1xgn h GLU 109 Cb 1.39 0.20 -0.13 0.00 0.63 0.00 0.00 28.75 30.84 1xgn h GLU 109 CO -0.54 -0.60 -0.48 0.00 -0.73 0.00 0.00 179.01 176.66 1xgn h ALA 110 N -0.90 -0.23 0.13 2.92 0.00 -0.22 0.26 119.26 121.23 1xgn h ALA 110 Ca -0.05 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xgn h ALA 110 Cb 0.82 1.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 1xgn h ALA 110 CO -0.09 -0.81 -0.35 0.00 0.00 0.00 0.00 179.25 178.00 1xgn h ALA 111 N 0.86 -0.61 0.16 0.00 0.00 -1.32 0.25 119.26 118.60 1xgn h ALA 111 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xgn h ALA 111 Cb 0.52 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1xgn h ALA 111 CO -0.90 -0.90 -0.23 -0.22 0.00 0.00 0.00 179.25 176.99 1xgn h LYS 112 N -0.59 -0.44 -0.81 0.00 3.64 -0.34 0.26 116.57 118.29 1xgn h LYS 112 Ca 0.03 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1xgn h LYS 112 Cb 0.61 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1xgn h LYS 112 CO -0.20 -0.29 0.53 1.49 -2.27 0.00 0.00 179.45 178.71 1xgn h GLU 113 N -0.46 0.89 -0.74 1.90 4.57 -0.42 0.12 114.58 120.46 1xgn h GLU 113 Ca 0.01 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1xgn h GLU 113 Cb 0.45 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1xgn h GLU 113 CO -0.10 0.59 0.27 0.00 -1.18 0.00 0.00 179.01 178.60 1xgn h ALA 114 N 1.55 0.96 -0.16 2.92 0.00 0.41 -1.63 119.26 123.31 1xgn h ALA 114 Ca 0.34 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xgn h ALA 114 Cb 0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1xgn h ALA 114 CO -0.12 0.61 -0.09 1.25 0.00 0.00 0.00 179.25 180.90 1xgn h LEU 115 N 1.08 -0.29 0.46 0.00 5.85 0.21 -2.57 115.31 120.04 1xgn h LEU 115 Ca 0.24 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 1xgn h LEU 115 Cb 0.25 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1xgn h LEU 115 CO -0.02 -0.12 -0.37 0.78 -0.34 0.00 0.00 178.44 178.37 1xgn h ASN 116 N -0.08 -0.99 -0.97 1.25 2.35 -0.67 -2.82 115.58 113.65 1xgn h ASN 116 Ca 0.09 0.07 0.29 0.00 -0.55 0.00 0.00 56.30 56.20 1xgn h ASN 116 Cb 0.22 0.31 -0.18 0.00 0.05 0.00 0.00 38.32 38.72 1xgn h ASN 116 CO -0.21 -0.52 0.10 0.00 -1.65 0.00 0.00 177.43 175.14 1xgn n ALA 117 N -2.63 0.57 0.21 -0.83 0.00 -0.66 0.53 120.51 117.70 1xgn n ALA 117 Ca -0.10 1.03 -0.14 0.00 0.00 0.00 0.00 53.44 54.24 1xgn n ALA 117 Cb 0.36 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1xgn n ALA 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xgn h ALA 118 N 1.94 -1.05 -0.75 0.00 0.00 -1.24 -1.98 119.26 116.18 1xgn h ALA 118 Ca 0.62 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.50 1xgn h ALA 118 Cb 1.36 0.64 -0.13 0.00 0.00 0.00 0.00 17.79 19.66 1xgn h ALA 118 CO -0.89 -1.08 -0.42 0.82 0.00 0.00 0.00 179.25 177.68 1xgn h ILE 119 N -0.76 0.07 -1.10 0.00 2.04 0.31 0.20 117.51 118.27 1xgn h ILE 119 Ca -0.05 0.00 0.37 0.00 1.00 0.00 0.00 64.86 66.18 1xgn h ILE 119 Cb 0.67 0.07 -0.14 0.00 -0.74 0.00 0.00 36.82 36.67 1xgn h ILE 119 CO -0.06 0.00 0.66 0.28 0.00 0.00 0.00 178.15 179.02 1xgn h SER 120 N -0.13 0.39 0.34 1.72 0.02 0.13 0.11 113.55 116.14 1xgn h SER 120 Ca 0.24 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1xgn h SER 120 Cb 0.56 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1xgn h SER 120 CO -0.80 -0.19 -0.87 1.33 -1.14 0.00 0.00 176.83 175.16 1xgn n VAL 121 N -4.95 0.08 -1.70 2.27 0.24 0.63 -4.93 118.33 109.96 1xgn n VAL 121 Ca 0.34 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 62.10 1xgn n VAL 121 Cb 1.17 0.41 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1xgn n VAL 121 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xgn n ALA 122 N -1.65 2.40 -3.61 2.33 0.00 0.37 -4.92 120.51 115.43 1xgn n ALA 122 Ca 0.03 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1xgn n ALA 122 Cb 0.38 -2.49 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 1xgn n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xgn s ARG 123 N 1.32 0.24 0.52 0.00 3.52 -1.26 -4.39 118.95 118.90 1xgn s ARG 123 Ca 0.77 -0.05 -0.23 0.00 -0.13 0.00 0.00 55.73 56.09 1xgn s ARG 123 Cb -0.55 0.11 -0.06 0.00 -1.56 0.00 0.00 34.95 32.90 1xgn s ARG 123 CO 0.34 -0.10 1.38 0.00 -0.81 0.00 0.00 175.30 176.12 1xgn s ALA 124 N -1.94 2.93 0.00 6.12 0.00 -0.89 -2.06 121.76 125.91 1xgn s ALA 124 Ca 0.09 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1xgn s ALA 124 Cb -0.01 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1xgn s ALA 124 CO -0.05 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.78 1xgn n GLY 125 N 0.69 0.85 3.67 0.00 0.00 0.12 -4.90 105.19 105.61 1xgn n GLY 125 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1xgn n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgn s VAL 126 N -3.13 5.10 0.00 1.61 1.01 -0.88 -4.83 120.40 119.29 1xgn s VAL 126 Ca 0.00 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 1xgn s VAL 126 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1xgn s VAL 126 CO 0.00 0.18 1.18 -1.61 0.00 0.00 0.00 175.10 174.86 1xgn s GLU 127 N 1.54 4.41 0.32 2.72 2.02 -1.26 -0.99 118.70 127.46 1xgn s GLU 127 Ca 0.25 1.70 0.06 0.00 0.02 0.00 0.00 54.97 57.00 1xgn s GLU 127 Cb -0.15 -3.46 0.89 0.00 0.10 0.00 0.00 34.13 31.51 1xgn s GLU 127 CO 0.10 -0.33 1.58 0.82 0.02 0.00 0.00 175.26 177.45 1xgn h ILE 128 N 4.77 0.02 -1.72 -1.63 1.08 -1.02 0.20 117.51 119.22 1xgn h ILE 128 Ca -0.38 -0.00 0.50 0.00 -0.39 0.00 0.00 64.86 64.59 1xgn h ILE 128 Cb 1.19 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 34.87 1xgn h ILE 128 CO 0.84 0.00 1.23 0.07 -0.69 0.00 0.00 178.15 179.60 1xgn h LYS 129 N 0.01 0.01 0.10 2.37 2.10 -1.58 0.92 116.57 120.51 1xgn h LYS 129 Ca 0.66 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.30 1xgn h LYS 129 Cb 1.47 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 1xgn h LYS 129 CO -0.88 0.01 -0.05 0.93 -2.00 0.00 0.00 179.45 177.46 1xgn h GLU 130 N 0.01 -0.13 -0.72 0.07 4.39 -0.91 0.82 114.58 118.11 1xgn h GLU 130 Ca 0.83 0.01 0.16 0.00 0.34 0.00 0.00 59.36 60.70 1xgn h GLU 130 Cb 3.29 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 31.85 1xgn h GLU 130 CO -0.04 0.12 0.13 -0.07 -1.16 0.00 0.00 179.01 177.98 1xgn h LEU 131 N -0.36 -0.08 0.18 1.33 3.38 0.72 -1.28 115.31 119.20 1xgn h LEU 131 Ca -0.01 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1xgn h LEU 131 Cb 0.30 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xgn h LEU 131 CO 0.02 -0.07 -0.19 1.23 0.09 0.00 0.00 178.44 179.52 1xgn h GLY 132 N 0.22 -0.93 -0.92 0.83 0.00 -0.88 -0.71 103.07 100.68 1xgn h GLY 132 Ca 0.40 0.42 0.35 0.00 0.00 0.00 0.00 47.33 48.50 1xgn h GLY 132 CO -0.54 -0.31 0.36 1.17 0.00 0.00 0.00 176.54 177.22 1xgn n LYS 133 N -3.48 -0.06 0.20 4.80 4.81 0.22 -0.22 118.16 124.43 1xgn n LYS 133 Ca -0.04 1.30 -0.08 0.00 -0.87 0.00 0.00 58.31 58.62 1xgn n LYS 133 Cb 0.17 -2.26 -0.04 0.00 0.02 0.00 0.00 35.03 32.92 1xgn n LYS 133 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xgn h ALA 134 N 1.84 -0.91 -1.16 3.14 0.00 -0.26 0.13 119.26 122.03 1xgn h ALA 134 Ca 0.72 -0.12 0.35 0.00 0.00 0.00 0.00 54.91 55.86 1xgn h ALA 134 Cb 1.81 0.21 -0.12 0.00 0.00 0.00 0.00 17.79 19.69 1xgn h ALA 134 CO -0.75 -0.87 0.73 0.82 0.00 0.00 0.00 179.25 179.18 1xgn h ILE 135 N -0.65 0.30 0.35 0.00 2.04 0.77 -0.07 117.51 120.25 1xgn h ILE 135 Ca -0.05 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xgn h ILE 135 Cb 0.41 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1xgn h ILE 135 CO 0.09 0.04 -0.17 -0.08 0.00 0.00 0.00 178.15 178.04 1xgn h GLU 136 N 0.24 -0.45 -1.06 2.37 4.81 -0.32 -3.08 114.58 117.10 1xgn h GLU 136 Ca 0.72 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 60.26 1xgn h GLU 136 Cb 2.02 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 31.40 1xgn h GLU 136 CO -0.40 -0.30 0.67 -0.91 -0.73 0.00 0.00 179.01 177.34 1xgn h ASN 137 N -0.79 0.47 1.30 1.04 2.35 0.98 0.78 115.58 121.71 1xgn h ASN 137 Ca -0.05 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1xgn h ASN 137 Cb 0.36 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1xgn h ASN 137 CO 0.08 0.06 -0.09 -0.08 -1.65 0.00 0.00 177.43 175.75 1xgn h GLU 138 N 0.39 0.00 0.03 0.81 4.57 -1.20 -2.14 114.58 117.04 1xgn h GLU 138 Ca 0.62 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.43 1xgn h GLU 138 Cb 1.55 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.09 1xgn h GLU 138 CO -0.34 0.09 -2.13 -0.89 -1.18 0.00 0.00 179.01 174.56 1xgn n ILE 139 N -3.17 1.57 -0.22 2.32 5.41 0.24 -3.94 119.36 121.58 1xgn n ILE 139 Ca 0.02 -0.40 -0.02 0.00 1.00 0.00 0.00 62.75 63.34 1xgn n ILE 139 Cb 0.43 -1.77 0.18 0.00 -0.71 0.00 0.00 39.64 37.77 1xgn n ILE 139 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1xgn h ARG 140 N -0.53 1.00 -0.73 0.38 3.08 -0.81 -1.68 114.38 115.09 1xgn h ARG 140 Ca -0.54 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.40 1xgn h ARG 140 Cb 1.70 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 31.52 1xgn h ARG 140 CO -0.19 0.76 0.49 1.57 -1.07 0.00 0.00 179.97 181.53 1xgn h LYS 141 N 1.01 0.96 0.00 0.04 2.10 -1.58 0.13 116.57 119.23 1xgn h LYS 141 Ca 0.25 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.84 1xgn h LYS 141 Cb 0.07 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 1xgn h LYS 141 CO -0.04 0.63 0.00 0.54 -2.00 0.00 0.00 179.45 178.59 1xgn n ARG 142 N -4.43 0.99 -1.67 0.07 3.00 -0.67 -4.86 116.66 109.09 1xgn n ARG 142 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 57.85 57.89 1xgn n ARG 142 Cb 0.04 -1.20 -0.01 0.00 0.00 0.00 0.00 32.46 31.29 1xgn n ARG 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xgn n GLY 143 N 0.68 0.39 3.72 -0.13 0.00 0.46 -5.04 105.19 105.27 1xgn n GLY 143 Ca 0.10 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1xgn n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xgn s PHE 144 N -2.12 2.49 -0.20 1.61 2.99 -0.94 -5.03 117.98 116.78 1xgn s PHE 144 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 56.93 56.26 1xgn s PHE 144 Cb 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 43.02 41.13 1xgn s PHE 144 CO 0.00 0.23 -0.10 0.15 -0.00 0.00 0.00 175.22 175.50 1xgn s LYS 145 N -3.87 3.28 0.84 0.44 1.02 -0.20 -3.94 119.74 117.31 1xgn s LYS 145 Ca 0.37 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.56 1xgn s LYS 145 Cb 0.05 -2.84 0.10 0.00 -0.52 0.00 0.00 37.83 34.61 1xgn s LYS 145 CO 0.20 -0.14 1.09 -1.25 -0.92 0.00 0.00 175.35 174.33 1xgn s PRO 146 N 1.27 1.71 -0.48 -1.68 0.04 -1.26 0.69 135.00 135.29 1xgn s PRO 146 Ca 0.03 0.86 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 1xgn s PRO 146 Cb -0.14 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.60 1xgn s PRO 146 CO -0.04 -1.94 0.51 0.42 0.04 0.00 0.00 177.00 175.98 1xgn s ILE 147 N -2.98 5.05 0.27 0.56 1.01 0.72 -4.47 121.20 121.36 1xgn s ILE 147 Ca 0.62 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 1xgn s ILE 147 Cb -0.17 -4.19 0.26 0.00 0.01 0.00 0.00 42.46 38.37 1xgn s ILE 147 CO 0.56 -0.66 1.81 -0.37 0.00 0.00 0.00 174.94 176.29 1xgn h VAL 148 N 5.80 0.87 -0.00 2.92 -1.51 0.32 -3.21 116.25 121.43 1xgn h VAL 148 Ca -0.28 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 1xgn h VAL 148 Cb 1.10 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1xgn h VAL 148 CO 0.90 0.16 -0.28 -0.46 -1.23 0.00 0.00 177.57 176.67 1xgn n ASN 149 N -4.71 0.75 -4.83 4.19 0.23 -1.26 -4.82 115.26 104.82 1xgn n ASN 149 Ca 0.17 -0.62 -0.36 0.00 -0.53 0.00 0.00 54.58 53.24 1xgn n ASN 149 Cb 0.36 0.10 -0.07 0.00 -2.08 0.00 0.00 39.78 38.09 1xgn n ASN 149 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xgn s LEU 150 N -2.64 4.30 0.20 -4.53 1.43 -1.21 -5.03 118.68 111.20 1xgn s LEU 150 Ca 0.22 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1xgn s LEU 150 Cb 0.19 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1xgn s LEU 150 CO 0.55 0.34 0.37 -0.94 0.23 0.00 0.00 176.35 176.91 1xgn s SER 151 N -0.63 -0.04 1.18 2.29 1.04 -1.26 -4.36 113.70 111.92 1xgn s SER 151 Ca 0.13 -0.85 -0.13 0.00 0.48 0.00 0.00 55.95 55.58 1xgn s SER 151 Cb -0.12 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.69 1xgn s SER 151 CO 0.02 -0.99 0.61 0.61 0.98 0.00 0.00 173.24 174.47 1xgn n GLY 152 N -0.29 -2.94 3.55 7.32 0.00 -0.38 -4.76 105.19 107.69 1xgn n GLY 152 Ca -0.06 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 1xgn n GLY 152 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xgn s HIS 153 N -2.04 -0.57 -0.06 1.61 -3.43 -0.92 -2.27 115.29 107.60 1xgn s HIS 153 Ca 0.41 1.05 -0.30 0.00 -0.80 0.00 0.00 55.06 55.42 1xgn s HIS 153 Cb -0.05 0.41 -0.03 0.00 -1.43 0.00 0.00 32.58 31.48 1xgn s HIS 153 CO 0.32 -0.49 1.13 0.21 -2.00 0.00 0.00 174.74 173.91 1xgn s LYS 154 N -0.96 4.39 0.00 -0.38 2.20 0.19 -0.99 119.74 124.18 1xgn s LYS 154 Ca -0.07 1.58 -0.02 0.00 -0.36 0.00 0.00 55.97 57.10 1xgn s LYS 154 Cb -0.01 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1xgn s LYS 154 CO 0.06 -0.38 0.18 0.42 -0.36 0.00 0.00 175.35 175.27 1xgn s ILE 155 N 2.05 5.38 0.00 5.43 1.01 -0.12 0.16 121.20 135.11 1xgn s ILE 155 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1xgn s ILE 155 Cb -0.23 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1xgn s ILE 155 CO 0.21 0.30 0.00 -0.62 0.00 0.00 0.00 174.94 174.83 1xgn n GLU 156 N 0.88 1.29 -2.97 2.79 1.02 0.14 -4.33 120.64 119.46 1xgn n GLU 156 Ca -0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1xgn n GLU 156 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.89 1xgn n GLU 156 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1xgn s ARG 157 N 1.41 4.01 -1.22 3.49 6.06 -1.26 -3.93 118.95 127.51 1xgn s ARG 157 Ca 0.00 0.62 -0.07 0.00 -2.50 0.00 0.00 55.73 53.78 1xgn s ARG 157 Cb 0.00 -3.70 0.06 0.00 0.06 0.00 0.00 34.95 31.36 1xgn s ARG 157 CO 0.00 -0.61 0.40 0.66 -2.50 0.00 0.00 175.30 173.25 1xgn n TYR 158 N 6.08 -1.73 -3.42 5.12 4.01 -1.02 -4.90 117.16 121.29 1xgn n TYR 158 Ca 0.03 0.38 -0.21 0.00 -0.16 0.00 0.00 57.90 57.94 1xgn n TYR 158 Cb 0.48 -2.91 -0.10 0.00 -0.31 0.00 0.00 39.34 36.49 1xgn n TYR 158 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1xgn s LYS 159 N -5.81 0.42 0.20 -0.72 -0.14 -1.25 -4.78 119.74 107.66 1xgn s LYS 159 Ca 0.32 -0.60 -0.11 0.00 -1.36 0.00 0.00 55.97 54.23 1xgn s LYS 159 Cb -0.17 -0.86 0.14 0.00 -1.68 0.00 0.00 37.83 35.26 1xgn s LYS 159 CO 0.39 -1.10 1.85 1.25 -0.76 0.00 0.00 175.35 176.98 1xgn h LEU 160 N 7.76 0.86 -7.30 3.17 5.85 -1.87 0.41 115.31 124.20 1xgn h LEU 160 Ca -0.06 -0.06 -0.63 0.00 0.84 0.00 0.00 57.88 57.97 1xgn h LEU 160 Cb 1.04 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 41.45 1xgn h LEU 160 CO 0.30 0.67 -0.70 -2.28 -0.34 0.00 0.00 178.44 176.09 1xgn s HIS 161 N -6.00 2.76 -2.00 1.25 2.46 -1.26 -4.21 115.29 108.28 1xgn s HIS 161 Ca -0.13 -2.73 0.12 0.00 0.47 0.00 0.00 55.06 52.79 1xgn s HIS 161 Cb 0.15 -2.42 0.73 0.00 -0.13 0.00 0.00 32.58 30.90 1xgn s HIS 161 CO 0.78 -0.82 1.17 0.00 -2.47 0.00 0.00 174.74 173.41 1xgn n ALA 162 N 3.71 2.10 -0.28 1.58 0.00 0.12 -4.83 120.51 122.91 1xgn n ALA 162 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xgn n ALA 162 Cb 0.36 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1xgn n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgn n GLY 163 N 0.05 1.03 3.38 0.00 0.00 -1.26 -4.99 105.19 103.39 1xgn n GLY 163 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1xgn n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xgn s ILE 164 N -2.11 -0.72 0.05 -0.61 1.01 -1.26 -5.03 121.20 112.53 1xgn s ILE 164 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1xgn s ILE 164 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1xgn s ILE 164 CO 0.00 0.00 0.12 -0.44 0.00 0.00 0.00 174.94 174.62 1xgn s SER 165 N 2.74 5.86 -0.90 3.58 0.01 -1.26 -0.64 113.70 123.09 1xgn s SER 165 Ca 0.02 0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 1xgn s SER 165 Cb -0.10 -1.69 0.22 0.00 0.21 0.00 0.00 66.02 64.66 1xgn s SER 165 CO -0.18 0.21 0.78 -0.63 0.41 0.00 0.00 173.24 173.83 1xgn s ILE 166 N -1.37 4.42 0.47 1.44 1.01 -0.96 -4.87 121.20 121.34 1xgn s ILE 166 Ca 0.29 -3.81 -0.24 0.00 0.00 0.00 0.00 60.65 56.88 1xgn s ILE 166 Cb -0.12 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1xgn s ILE 166 CO 0.21 -1.09 1.30 -0.81 0.00 0.00 0.00 174.94 174.56 1xgn n PRO 167 N 2.39 1.89 -0.83 2.79 -0.04 -1.26 -1.25 135.00 138.68 1xgn n PRO 167 Ca 0.21 0.68 -0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1xgn n PRO 167 Cb 0.37 -2.46 0.01 0.00 -0.04 0.00 0.00 33.50 31.37 1xgn n PRO 167 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xgn n ASN 168 N -0.19 6.06 -3.68 3.54 5.03 -1.26 -4.15 115.26 120.60 1xgn n ASN 168 Ca 0.08 -2.84 -0.15 0.00 0.87 0.00 0.00 54.58 52.54 1xgn n ASN 168 Cb 0.42 -1.12 -0.08 0.00 -1.02 0.00 0.00 39.78 37.98 1xgn n ASN 168 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xgn s ILE 169 N -1.39 0.03 -0.25 2.41 -1.09 -1.26 -4.25 121.20 115.41 1xgn s ILE 169 Ca 0.26 -0.28 -0.20 0.00 -2.23 0.00 0.00 60.65 58.20 1xgn s ILE 169 Cb 0.19 -0.74 -0.02 0.00 -1.58 0.00 0.00 42.46 40.31 1xgn s ILE 169 CO -0.02 -0.15 0.64 -0.47 -1.23 0.00 0.00 174.94 173.70 1xgn s TYR 170 N -1.12 3.30 -0.01 3.97 6.14 -1.26 -4.37 117.35 123.99 1xgn s TYR 170 Ca -0.11 0.84 0.03 0.00 0.64 0.00 0.00 57.07 58.47 1xgn s TYR 170 Cb -0.03 -2.84 -0.01 0.00 0.42 0.00 0.00 41.96 39.50 1xgn s TYR 170 CO 0.06 -0.31 -0.10 1.03 0.64 0.00 0.00 175.55 176.87 1xgn s ARG 171 N 2.43 0.84 0.37 4.97 0.52 -1.26 -4.98 118.95 121.84 1xgn s ARG 171 Ca 0.27 -0.36 0.26 0.00 -0.52 0.00 0.00 55.73 55.38 1xgn s ARG 171 Cb -0.16 -0.81 1.30 0.00 0.52 0.00 0.00 34.95 35.80 1xgn s ARG 171 CO 0.09 0.21 1.80 -1.00 0.02 0.00 0.00 175.30 176.41 1xgn h PRO 172 N 5.95 0.00 -0.04 3.54 0.13 -1.98 -3.17 132.00 136.43 1xgn h PRO 172 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xgn h PRO 172 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xgn h PRO 172 CO 0.49 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.87 1xgn n HIS 173 N -2.44 0.04 -1.63 1.56 1.44 -1.26 -4.64 115.22 108.28 1xgn n HIS 173 Ca -0.00 -0.03 -0.42 0.00 -2.01 0.00 0.00 57.72 55.25 1xgn n HIS 173 Cb 0.12 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.22 1xgn n HIS 173 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1xgn n ASP 174 N 0.76 3.72 -2.05 4.39 8.00 -1.20 -4.65 116.55 125.52 1xgn n ASP 174 Ca 0.08 -2.81 -0.23 0.00 0.71 0.00 0.00 54.79 52.54 1xgn n ASP 174 Cb 0.35 -1.57 0.16 0.00 -0.02 0.00 0.00 41.12 40.03 1xgn n ASP 174 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xgn n ASN 175 N 6.28 4.37 -4.78 -2.24 2.04 -1.26 -1.59 115.26 118.07 1xgn n ASN 175 Ca 0.52 -3.69 -0.36 0.00 -0.44 0.00 0.00 54.58 50.61 1xgn n ASN 175 Cb 0.39 -0.81 -0.04 0.00 -2.53 0.00 0.00 39.78 36.78 1xgn n ASN 175 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1xgn s TYR 176 N -3.41 3.28 -0.20 -2.53 6.14 -1.26 -4.82 117.35 114.54 1xgn s TYR 176 Ca 0.56 1.65 -0.02 0.00 0.64 0.00 0.00 57.07 59.89 1xgn s TYR 176 Cb 0.47 -3.11 -0.00 0.00 0.42 0.00 0.00 41.96 39.74 1xgn s TYR 176 CO 0.06 -0.58 -0.08 0.54 0.64 0.00 0.00 175.55 176.12 1xgn s VAL 177 N -1.68 3.10 0.42 3.14 0.11 -1.26 -0.77 120.40 123.46 1xgn s VAL 177 Ca 0.58 -0.59 -0.25 0.00 -2.93 0.00 0.00 61.98 58.79 1xgn s VAL 177 Cb -0.21 -2.38 -0.10 0.00 -1.53 0.00 0.00 36.38 32.15 1xgn s VAL 177 CO 0.27 0.46 1.08 0.18 -3.33 0.00 0.00 175.10 173.76 1xgn n LEU 178 N 4.53 3.01 -3.99 2.54 4.77 -0.16 -4.74 117.00 122.95 1xgn n LEU 178 Ca -0.19 1.06 -0.09 0.00 -0.03 0.00 0.00 56.01 56.77 1xgn n LEU 178 Cb 0.51 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 1xgn n LEU 178 CO 0.29 -1.25 -0.19 -0.54 -1.33 0.00 0.00 177.39 174.37 1xgn s LYS 179 N -2.07 0.85 0.30 3.23 1.02 -1.26 0.12 119.74 121.93 1xgn s LYS 179 Ca 0.63 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 1xgn s LYS 179 Cb -0.55 0.29 -0.13 0.00 -0.52 0.00 0.00 37.83 36.93 1xgn s LYS 179 CO 0.57 -0.25 1.32 0.39 -0.92 0.00 0.00 175.35 176.46 1xgn n GLU 180 N -0.05 2.04 0.00 1.68 1.02 -1.25 -1.52 120.64 122.56 1xgn n GLU 180 Ca -0.12 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1xgn n GLU 180 Cb 0.62 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1xgn n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xgn n GLY 181 N 1.39 3.07 3.70 0.62 0.00 -0.44 -4.97 105.19 108.56 1xgn n GLY 181 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xgn n GLY 181 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgn s ASP 182 N -0.50 6.71 -0.12 1.61 -0.00 -0.58 -4.71 116.67 119.09 1xgn s ASP 182 Ca 0.00 2.40 0.01 0.00 -0.00 0.00 0.00 52.55 54.96 1xgn s ASP 182 Cb 0.00 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.33 1xgn s ASP 182 CO 0.00 -0.77 -0.15 0.54 -0.00 0.00 0.00 175.17 174.79 1xgn s VAL 183 N 1.78 2.89 0.31 -1.27 0.11 -1.26 0.83 120.40 123.78 1xgn s VAL 183 Ca 0.68 -0.72 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1xgn s VAL 183 Cb -0.38 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 1xgn s VAL 183 CO 0.30 0.53 0.11 -0.36 -3.33 0.00 0.00 175.10 172.36 1xgn s PHE 184 N 0.27 1.70 -0.08 1.54 0.08 -0.57 -0.94 117.98 119.98 1xgn s PHE 184 Ca -0.11 -1.20 0.01 0.00 0.12 0.00 0.00 56.93 55.75 1xgn s PHE 184 Cb -0.16 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 1xgn s PHE 184 CO 0.06 -0.30 -0.09 0.00 -0.10 0.00 0.00 175.22 174.78 1xgn s ALA 185 N -3.52 1.21 -0.32 5.36 0.00 -0.16 0.41 121.76 124.74 1xgn s ALA 185 Ca 0.35 -0.42 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 1xgn s ALA 185 Cb 0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1xgn s ALA 185 CO 0.15 -0.11 0.22 0.42 0.00 0.00 0.00 175.76 176.44 1xgn s ILE 186 N 1.12 5.20 -0.53 0.00 -1.09 -0.67 -2.17 121.20 123.06 1xgn s ILE 186 Ca -0.06 -0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1xgn s ILE 186 Cb -0.14 -3.62 0.21 0.00 -1.58 0.00 0.00 42.46 37.32 1xgn s ILE 186 CO -0.01 0.06 0.51 -1.84 -1.23 0.00 0.00 174.94 172.43 1xgn n GLU 187 N 5.08 1.22 -1.85 2.79 0.28 -1.26 -2.61 120.64 124.29 1xgn n GLU 187 Ca -0.13 -3.82 -0.42 0.00 -0.16 0.00 0.00 57.16 52.63 1xgn n GLU 187 Cb 0.50 -1.83 -0.02 0.00 1.43 0.00 0.00 31.44 31.53 1xgn n GLU 187 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1xgn s PRO 188 N -1.17 4.17 -0.07 3.44 0.04 -1.22 -4.54 135.00 135.65 1xgn s PRO 188 Ca 0.33 2.49 0.05 0.00 0.04 0.00 0.00 61.00 63.91 1xgn s PRO 188 Cb 0.08 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.55 1xgn s PRO 188 CO -0.13 -0.58 -0.21 -0.06 0.04 0.00 0.00 177.00 176.06 1xgn s PHE 189 N 0.19 2.16 -0.01 0.56 0.08 -1.26 -3.36 117.98 116.34 1xgn s PHE 189 Ca 0.64 -0.74 0.03 0.00 0.12 0.00 0.00 56.93 56.98 1xgn s PHE 189 Cb -0.46 -1.45 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1xgn s PHE 189 CO 0.44 -0.27 -0.10 0.00 -0.10 0.00 0.00 175.22 175.19 1xgn s ALA 190 N 0.15 0.86 0.32 5.36 0.00 -0.73 -0.20 121.76 127.51 1xgn s ALA 190 Ca -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.50 1xgn s ALA 190 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1xgn s ALA 190 CO 0.05 0.18 0.17 -0.08 0.00 0.00 0.00 175.76 176.08 1xgn s THR 191 N -0.09 0.32 -1.08 0.00 -1.32 0.22 -1.32 115.64 112.37 1xgn s THR 191 Ca 0.02 -2.00 0.11 0.00 -1.21 0.00 0.00 61.69 58.61 1xgn s THR 191 Cb -0.06 -2.49 0.26 0.00 -1.51 0.00 0.00 72.50 68.70 1xgn s THR 191 CO -0.00 0.00 1.16 2.30 -2.21 0.00 0.00 174.62 175.87 1xgn n ILE 192 N -0.62 0.74 -0.62 5.08 -5.35 -1.01 -1.03 119.36 116.55 1xgn n ILE 192 Ca 0.01 -0.87 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 1xgn n ILE 192 Cb 0.65 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1xgn n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xgn n GLY 193 N 0.57 1.75 0.28 3.28 0.00 -1.26 -4.87 105.19 104.93 1xgn n GLY 193 Ca 0.11 -1.80 0.17 0.00 0.00 0.00 0.00 46.02 44.50 1xgn n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgn h ALA 194 N -1.16 1.04 0.00 4.61 0.00 -1.93 -3.45 119.26 118.36 1xgn h ALA 194 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xgn h ALA 194 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xgn h ALA 194 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 1xgn n GLY 195 N -0.23 0.59 3.06 0.00 0.00 -1.26 -4.97 105.19 102.37 1xgn n GLY 195 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1xgn n GLY 195 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xgn s GLN 196 N -0.70 0.52 0.14 1.61 -2.07 -1.26 0.10 119.66 117.99 1xgn s GLN 196 Ca 0.00 -0.89 0.03 0.00 -1.82 0.00 0.00 55.36 52.68 1xgn s GLN 196 Cb 0.00 -0.06 -0.04 0.00 -1.09 0.00 0.00 33.01 31.83 1xgn s GLN 196 CO 0.00 -0.02 0.21 0.08 -1.32 0.00 0.00 175.29 174.24 1xgn s VAL 197 N -2.23 5.01 0.01 3.63 1.01 -1.26 -1.23 120.40 125.34 1xgn s VAL 197 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1xgn s VAL 197 Cb -0.04 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1xgn s VAL 197 CO -0.03 -0.05 -0.04 -0.51 0.00 0.00 0.00 175.10 174.47 1xgn s ILE 198 N -1.69 0.31 0.24 2.22 2.07 0.47 -4.84 121.20 119.98 1xgn s ILE 198 Ca 0.33 -0.46 -0.28 0.00 -1.41 0.00 0.00 60.65 58.84 1xgn s ILE 198 Cb -0.11 -0.32 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 1xgn s ILE 198 CO 0.26 -0.10 0.90 -1.83 -1.91 0.00 0.00 174.94 172.26 1xgn s GLU 199 N -0.60 4.71 0.13 3.50 1.03 -1.26 -0.96 118.70 125.26 1xgn s GLU 199 Ca -0.04 1.36 -0.01 0.00 0.03 0.00 0.00 54.97 56.31 1xgn s GLU 199 Cb -0.04 -3.15 -0.04 0.00 -0.80 0.00 0.00 34.13 30.09 1xgn s GLU 199 CO -0.00 0.47 0.05 0.14 -1.33 0.00 0.00 175.26 174.59 1xgn s VAL 200 N -1.28 0.18 0.56 1.83 -7.23 0.16 -4.95 120.40 109.66 1xgn s VAL 200 Ca 0.42 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.49 1xgn s VAL 200 Cb -0.23 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.62 1xgn s VAL 200 CO 0.28 -0.49 1.08 -2.16 -0.31 0.00 0.00 175.10 173.50 1xgn s PRO 201 N -4.03 3.41 0.57 4.82 0.04 -1.26 -2.49 135.00 136.07 1xgn s PRO 201 Ca 0.23 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1xgn s PRO 201 Cb 0.07 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.66 1xgn s PRO 201 CO 0.02 -0.76 0.79 -1.25 0.04 0.00 0.00 177.00 175.84 1xgn s PRO 202 N -3.62 2.29 -0.44 0.56 0.04 -1.26 -4.86 135.00 127.71 1xgn s PRO 202 Ca 0.67 -1.40 -0.08 0.00 0.04 0.00 0.00 61.00 60.23 1xgn s PRO 202 Cb -0.19 -2.59 0.10 0.00 0.04 0.00 0.00 34.50 31.86 1xgn s PRO 202 CO 0.30 -0.86 0.30 0.95 0.04 0.00 0.00 177.00 177.72 1xgn s THR 203 N -2.71 4.10 -2.37 1.26 -4.23 -1.26 -2.74 115.64 107.69 1xgn s THR 203 Ca 0.61 -1.68 0.23 0.00 -1.18 0.00 0.00 61.69 59.67 1xgn s THR 203 Cb -0.07 -3.64 0.47 0.00 1.34 0.00 0.00 72.50 70.59 1xgn s THR 203 CO 0.39 -0.67 1.57 0.18 -0.54 0.00 0.00 174.62 175.55 1xgn n LEU 204 N 4.87 1.81 -4.01 4.79 7.99 -1.26 -4.89 117.00 126.31 1xgn n LEU 204 Ca -0.08 -0.72 -0.10 0.00 -0.01 0.00 0.00 56.01 55.10 1xgn n LEU 204 Cb 0.42 -0.09 -0.11 0.00 -0.11 0.00 0.00 43.42 43.53 1xgn n LEU 204 CO 0.40 0.36 -0.37 -0.63 -1.51 0.00 0.00 177.39 175.64 1xgn s ILE 205 N -1.82 0.24 0.08 -0.08 1.01 -1.26 -0.23 121.20 119.14 1xgn s ILE 205 Ca 0.34 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1xgn s ILE 205 Cb 0.19 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 1xgn s ILE 205 CO 0.28 -0.47 0.16 -0.31 0.00 0.00 0.00 174.94 174.60 1xgn s TYR 206 N -1.46 0.21 -0.03 3.97 2.02 -0.54 -2.66 117.35 118.86 1xgn s TYR 206 Ca -0.14 -0.65 -0.00 0.00 -0.37 0.00 0.00 57.07 55.91 1xgn s TYR 206 Cb -0.10 -0.11 0.03 0.00 -0.40 0.00 0.00 41.96 41.38 1xgn s TYR 206 CO -0.01 -0.52 0.02 1.41 -1.57 0.00 0.00 175.55 174.89 1xgn s MET 207 N -3.87 0.08 0.53 -0.62 -2.45 0.85 -0.63 119.30 113.19 1xgn s MET 207 Ca 0.05 0.17 -0.22 0.00 -1.25 0.00 0.00 55.69 54.44 1xgn s MET 207 Cb 0.05 -0.36 -0.05 0.00 1.25 0.00 0.00 34.83 35.72 1xgn s MET 207 CO -0.11 -0.17 1.32 -0.47 1.05 0.00 0.00 175.02 176.63 1xgn s TYR 208 N 1.17 2.39 0.00 4.11 5.04 -1.26 0.14 117.35 128.94 1xgn s TYR 208 Ca -0.08 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.96 1xgn s TYR 208 Cb -0.13 -3.71 0.00 0.00 0.35 0.00 0.00 41.96 38.47 1xgn s TYR 208 CO -0.03 -2.62 0.00 1.33 -1.34 0.00 0.00 175.55 172.89 1xgn n VAL 209 N -0.96 0.00 -3.54 3.14 0.24 0.18 -4.75 118.33 112.65 1xgn n VAL 209 Ca 0.10 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.26 1xgn n VAL 209 Cb 0.46 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 1xgn n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xgn s ARG 210 N -1.41 0.85 0.26 7.34 1.70 -1.11 -5.05 118.95 121.53 1xgn s ARG 210 Ca 0.00 0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 55.09 1xgn s ARG 210 Cb 0.00 0.40 -0.09 0.00 -0.57 0.00 0.00 34.95 34.69 1xgn s ARG 210 CO 0.00 -0.28 0.97 -0.51 -1.08 0.00 0.00 175.30 174.40 1xgn s ASP 211 N -1.34 7.53 0.12 -2.89 -0.00 -1.26 -4.30 116.67 114.53 1xgn s ASP 211 Ca -0.05 1.98 -0.12 0.00 -0.00 0.00 0.00 52.55 54.37 1xgn s ASP 211 Cb -0.00 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 40.32 1xgn s ASP 211 CO 0.04 0.07 0.29 0.68 -0.00 0.00 0.00 175.17 176.25 1xgn s VAL 212 N -1.25 0.10 -0.62 -1.27 -7.23 -1.26 -5.05 120.40 103.81 1xgn s VAL 212 Ca 0.43 -0.98 -0.25 0.00 -1.81 0.00 0.00 61.98 59.37 1xgn s VAL 212 Cb -0.26 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.36 1xgn s VAL 212 CO 0.32 -0.45 1.08 -2.16 -0.31 0.00 0.00 175.10 173.57 1xgn s PRO 213 N -3.86 3.29 -0.12 4.82 0.04 -1.26 -4.99 135.00 132.93 1xgn s PRO 213 Ca 0.06 -0.27 -0.17 0.00 0.04 0.00 0.00 61.00 60.66 1xgn s PRO 213 Cb 0.03 -4.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1xgn s PRO 213 CO -0.09 -1.75 0.44 0.54 0.04 0.00 0.00 177.00 176.17 1xgn s VAL 214 N 4.60 5.20 0.08 -0.36 0.11 -1.26 -5.00 120.40 123.77 1xgn s VAL 214 Ca 0.32 0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 60.15 1xgn s VAL 214 Cb -0.11 -3.77 -0.27 0.00 -1.53 0.00 0.00 36.38 30.69 1xgn s VAL 214 CO 0.18 0.36 1.15 0.03 -3.33 0.00 0.00 175.10 173.48 1xgn h ARG 215 N 6.57 0.48 -7.24 1.54 2.47 -2.00 -3.44 114.38 112.75 1xgn h ARG 215 Ca -0.42 -0.66 -0.52 0.00 -1.26 0.00 0.00 59.98 57.13 1xgn h ARG 215 Cb 1.18 0.22 0.14 0.00 -1.65 0.00 0.00 29.97 29.86 1xgn h ARG 215 CO 0.75 1.28 0.33 0.14 0.56 0.00 0.00 179.97 183.03 1xgn s VAL 216 N -2.93 2.84 0.05 2.04 -7.23 -1.26 -4.99 120.40 108.91 1xgn s VAL 216 Ca -0.07 0.34 -0.32 0.00 -1.81 0.00 0.00 61.98 60.11 1xgn s VAL 216 Cb 0.07 -2.76 -0.18 0.00 0.56 0.00 0.00 36.38 34.06 1xgn s VAL 216 CO 0.91 -0.29 1.44 0.00 -0.31 0.00 0.00 175.10 176.85 1xgn h ALA 217 N -0.74 -1.27 0.22 1.32 0.00 -2.01 -3.15 119.26 113.63 1xgn h ALA 217 Ca -0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 1xgn h ALA 217 Cb 1.26 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1xgn h ALA 217 CO 0.50 -1.19 -0.13 1.96 0.00 0.00 0.00 179.25 180.39 1xgn h GLN 218 N -1.21 -0.31 -1.03 0.00 7.50 -1.99 -3.10 115.11 114.97 1xgn h GLN 218 Ca -0.12 0.02 0.37 0.00 0.50 0.00 0.00 58.65 59.42 1xgn h GLN 218 Cb 0.89 0.07 -0.16 0.00 0.05 0.00 0.00 27.48 28.34 1xgn h GLN 218 CO 0.20 -0.21 0.59 0.00 -1.50 0.00 0.00 178.83 177.90 1xgn h ALA 219 N -1.70 2.11 0.03 3.87 0.00 -1.80 0.28 119.26 122.05 1xgn h ALA 219 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1xgn h ALA 219 Cb 0.26 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1xgn h ALA 219 CO 0.03 -0.79 -0.36 -0.09 0.00 0.00 0.00 179.25 178.04 1xgn h ARG 220 N 0.19 -0.45 -0.27 0.00 2.43 -1.50 0.31 114.38 115.09 1xgn h ARG 220 Ca 0.78 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.85 1xgn h ARG 220 Cb 1.97 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1xgn h ARG 220 CO -0.64 -0.30 -0.37 0.35 -1.51 0.00 0.00 179.97 177.49 1xgn h PHE 221 N -0.47 0.89 -0.87 2.20 3.57 -0.94 -2.51 116.94 118.80 1xgn h PHE 221 Ca 0.00 -0.29 0.13 0.00 3.53 0.00 0.00 57.97 61.34 1xgn h PHE 221 Cb 0.49 -0.18 -0.09 0.00 2.79 0.00 0.00 35.95 38.97 1xgn h PHE 221 CO -0.44 1.06 0.48 1.25 -2.23 0.00 0.00 178.31 178.43 1xgn h LEU 222 N 0.46 0.63 0.44 0.59 5.85 -0.31 0.26 115.31 123.23 1xgn h LEU 222 Ca 0.03 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xgn h LEU 222 Cb 0.96 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 1xgn h LEU 222 CO 0.09 0.31 -0.25 0.25 -0.34 0.00 0.00 178.44 178.49 1xgn h LEU 223 N 0.72 -0.63 -0.90 2.25 7.12 -0.28 -2.12 115.31 121.47 1xgn h LEU 223 Ca 0.45 0.03 0.24 0.00 0.13 0.00 0.00 57.88 58.73 1xgn h LEU 223 Cb 0.56 0.18 -0.16 0.00 -0.53 0.00 0.00 40.66 40.71 1xgn h LEU 223 CO -0.32 -0.41 0.08 0.00 -0.13 0.00 0.00 178.44 177.67 1xgn h ALA 224 N -0.12 1.10 0.18 1.25 0.00 -0.11 -0.57 119.26 121.01 1xgn h ALA 224 Ca -0.05 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xgn h ALA 224 Cb 0.53 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xgn h ALA 224 CO 0.06 -0.51 -0.09 -0.22 0.00 0.00 0.00 179.25 178.50 1xgn h LYS 225 N 0.09 -0.24 -0.46 0.00 3.64 -0.56 -1.18 116.57 117.86 1xgn h LYS 225 Ca 0.54 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 60.03 1xgn h LYS 225 Cb 1.08 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.85 1xgn h LYS 225 CO -0.78 0.02 -0.20 0.82 -2.27 0.00 0.00 179.45 177.04 1xgn h ILE 226 N -0.48 0.39 -0.46 2.00 2.04 -0.65 0.74 117.51 121.10 1xgn h ILE 226 Ca -0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.92 1xgn h ILE 226 Cb 0.37 0.39 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 1xgn h ILE 226 CO 0.04 0.00 0.01 0.50 0.00 0.00 0.00 178.15 178.70 1xgn h LYS 227 N -0.10 0.12 0.32 2.37 3.64 -1.02 0.07 116.57 121.96 1xgn h LYS 227 Ca 0.22 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1xgn h LYS 227 Cb 0.44 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1xgn h LYS 227 CO -0.53 0.08 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.49 1xgn h ARG 228 N 0.12 -0.41 -0.06 1.90 2.43 0.15 -2.86 114.38 115.64 1xgn h ARG 228 Ca 0.23 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.40 1xgn h ARG 228 Cb 0.34 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1xgn h ARG 228 CO -0.38 -0.27 -0.07 0.93 -1.51 0.00 0.00 179.97 178.67 1xgn h GLU 229 N -0.85 0.09 0.00 0.20 4.39 0.43 -3.38 114.58 115.46 1xgn h GLU 229 Ca -0.04 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1xgn h GLU 229 Cb 0.32 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1xgn h GLU 229 CO 0.07 0.17 -1.42 0.66 -1.16 0.00 0.00 179.01 177.33 1xgn n TYR 230 N -4.40 0.00 -4.25 4.33 4.01 -0.00 -5.06 117.16 111.78 1xgn n TYR 230 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xgn n TYR 230 Cb 0.18 -0.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1xgn n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xgn n GLY 231 N 3.01 -0.74 0.28 2.72 0.00 -1.08 -3.57 105.19 105.81 1xgn n GLY 231 Ca -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1xgn n GLY 231 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgn n THR 232 N 0.00 0.00 -4.23 2.61 -2.24 -1.26 -4.50 114.28 104.66 1xgn n THR 232 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 1xgn n THR 232 Cb 0.00 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1xgn n THR 232 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xgn s LEU 233 N -0.44 3.18 0.41 3.22 1.43 -1.23 -4.80 118.68 120.44 1xgn s LEU 233 Ca 0.00 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 1xgn s LEU 233 Cb 0.00 -1.86 -0.09 0.00 0.03 0.00 0.00 46.19 44.27 1xgn s LEU 233 CO 0.00 0.11 1.40 -2.84 0.23 0.00 0.00 176.35 175.25 1xgn s PRO 234 N -2.80 3.91 0.20 1.29 0.02 -1.26 -4.45 135.00 131.90 1xgn s PRO 234 Ca 0.26 2.38 0.03 0.00 0.02 0.00 0.00 61.00 63.69 1xgn s PRO 234 Cb -0.09 -2.79 -0.05 0.00 0.02 0.00 0.00 34.50 31.59 1xgn s PRO 234 CO 0.17 -0.62 -0.02 -0.59 -0.33 0.00 0.00 177.00 175.60 1xgn s PHE 235 N -1.19 1.40 0.23 6.54 -0.12 0.20 -4.29 117.98 120.75 1xgn s PHE 235 Ca 0.57 -0.92 0.06 0.00 -0.05 0.00 0.00 56.93 56.59 1xgn s PHE 235 Cb -0.43 -0.79 -0.03 0.00 -0.63 0.00 0.00 43.02 41.14 1xgn s PHE 235 CO 0.56 -0.06 0.28 0.00 -0.05 0.00 0.00 175.22 175.94 1xgn s ALA 236 N -3.47 3.77 0.06 1.99 0.00 -1.26 -1.47 121.76 121.39 1xgn s ALA 236 Ca 0.25 -1.29 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 1xgn s ALA 236 Cb 0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 23.12 21.49 1xgn s ALA 236 CO 0.06 0.28 1.57 -0.92 0.00 0.00 0.00 175.76 176.75 1xgn h TYR 237 N 1.44 0.14 -0.86 0.00 3.20 -0.95 -2.63 116.97 117.31 1xgn h TYR 237 Ca -0.50 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 61.52 1xgn h TYR 237 Cb 1.23 -0.04 -0.16 0.00 1.54 0.00 0.00 36.73 39.30 1xgn h TYR 237 CO 0.51 0.28 -0.28 -0.09 -1.64 0.00 0.00 178.16 176.94 1xgn h ARG 238 N -0.04 -0.02 0.00 1.82 2.43 -1.80 0.28 114.38 117.05 1xgn h ARG 238 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xgn h ARG 238 Cb 0.21 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1xgn h ARG 238 CO -0.00 -0.02 0.31 -1.49 -1.51 0.00 0.00 179.97 177.26 1xgn h TRP 239 N -0.03 0.00 -0.00 2.20 4.06 -1.83 -0.84 115.95 119.51 1xgn h TRP 239 Ca 0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.33 1xgn h TRP 239 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.78 1xgn h TRP 239 CO -0.72 0.00 -0.14 1.28 -3.56 0.00 0.00 178.44 175.29 1xgn n LEU 240 N -2.35 0.47 0.21 -4.49 4.77 0.96 -4.71 117.00 111.87 1xgn n LEU 240 Ca -0.01 -0.62 0.10 0.00 -0.03 0.00 0.00 56.01 55.45 1xgn n LEU 240 Cb 0.34 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.96 1xgn n LEU 240 CO 0.08 0.11 0.89 1.56 -1.33 0.00 0.00 177.39 178.70 1xgn h GLN 241 N 0.21 0.00 0.00 3.23 4.20 -0.83 0.40 115.11 122.32 1xgn h GLN 241 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xgn h GLN 241 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1xgn h GLN 241 CO 0.00 0.00 -0.51 0.27 -0.67 0.00 0.00 178.83 177.92 1xgn n ASN 242 N -2.31 0.51 -0.09 1.46 6.94 -1.26 -4.16 115.26 116.35 1xgn n ASN 242 Ca -0.01 -0.24 0.14 0.00 -0.02 0.00 0.00 54.58 54.44 1xgn n ASN 242 Cb 0.27 0.25 0.51 0.00 -2.36 0.00 0.00 39.78 38.46 1xgn n ASN 242 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1xgn n ASP 243 N -1.52 0.45 0.00 0.53 9.92 0.14 -4.97 116.55 121.10 1xgn n ASP 243 Ca 0.05 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.96 1xgn n ASP 243 Cb 0.34 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1xgn n ASP 243 CO 0.00 0.00 0.00 1.15 0.13 0.00 0.00 177.20 178.48 1xgn n MET 244 N -1.13 0.00 -1.09 -1.24 0.00 -1.26 -5.03 117.12 107.37 1xgn n MET 244 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.50 1xgn n MET 244 Cb 0.31 0.00 0.12 0.00 0.00 0.00 0.00 33.22 33.65 1xgn n MET 244 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1xgn s PRO 245 N -2.00 1.79 0.14 3.17 0.04 -1.26 -4.67 135.00 132.20 1xgn s PRO 245 Ca 0.00 1.39 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1xgn s PRO 245 Cb 0.00 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 1xgn s PRO 245 CO 0.00 -2.03 1.56 0.93 0.04 0.00 0.00 177.00 177.50 1xgn h GLU 246 N -1.26 -0.42 -0.80 4.56 4.39 -1.98 0.40 114.58 119.46 1xgn h GLU 246 Ca -0.44 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.48 1xgn h GLU 246 Cb 1.25 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.87 1xgn h GLU 246 CO 0.47 -0.28 0.18 0.78 -1.16 0.00 0.00 179.01 179.00 1xgn h GLY 247 N -0.43 1.14 0.37 -3.84 0.00 -1.99 0.28 103.07 98.59 1xgn h GLY 247 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1xgn h GLY 247 CO -0.53 -0.28 -0.06 -1.61 0.00 0.00 0.00 176.54 174.06 1xgn h GLN 248 N 0.22 0.05 0.08 4.80 4.15 -1.75 -3.01 115.11 119.65 1xgn h GLN 248 Ca 0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1xgn h GLN 248 Cb 0.88 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1xgn h GLN 248 CO -0.60 0.73 -0.20 1.25 -1.93 0.00 0.00 178.83 178.08 1xgn h LEU 249 N -0.61 -0.60 -1.48 -2.39 5.85 -0.35 0.78 115.31 116.50 1xgn h LEU 249 Ca -0.00 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.08 1xgn h LEU 249 Cb 0.74 0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 1xgn h LEU 249 CO 0.01 -0.23 0.73 0.11 -0.34 0.00 0.00 178.44 178.73 1xgn h LYS 250 N -0.32 0.27 0.29 1.25 1.57 -1.11 0.91 116.57 119.44 1xgn h LYS 250 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xgn h LYS 250 Cb 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xgn h LYS 250 CO -0.09 0.18 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.75 1xgn h LEU 251 N 0.27 -0.33 -0.94 2.94 -0.00 -1.16 0.14 115.31 116.23 1xgn h LEU 251 Ca 0.63 0.01 0.28 0.00 -0.00 0.00 0.00 57.88 58.79 1xgn h LEU 251 Cb 1.81 0.09 -0.15 0.00 -0.00 0.00 0.00 40.66 42.41 1xgn h LEU 251 CO -0.26 -0.17 0.38 0.00 -0.00 0.00 0.00 178.44 178.38 1xgn h ALA 252 N -1.68 1.58 0.70 1.53 0.00 -0.06 0.26 119.26 121.59 1xgn h ALA 252 Ca -0.04 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xgn h ALA 252 Cb 0.30 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xgn h ALA 252 CO 0.07 -0.52 -0.34 1.25 0.00 0.00 0.00 179.25 179.71 1xgn h LEU 253 N 0.25 -0.80 -0.81 0.00 5.85 -0.78 0.84 115.31 119.87 1xgn h LEU 253 Ca 0.64 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.46 1xgn h LEU 253 Cb 1.37 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.54 1xgn h LEU 253 CO -0.64 -0.48 0.45 0.50 -0.34 0.00 0.00 178.44 177.93 1xgn h LYS 254 N -1.09 0.73 0.58 1.25 3.11 0.92 0.23 116.57 122.29 1xgn h LYS 254 Ca -0.10 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 1xgn h LYS 254 Cb 0.75 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.80 1xgn h LYS 254 CO 0.16 0.48 -0.48 1.15 -2.81 0.00 0.00 179.45 177.95 1xgn h THR 255 N 0.75 0.05 -0.89 1.00 2.02 -0.36 0.44 112.91 115.92 1xgn h THR 255 Ca 0.40 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.82 1xgn h THR 255 Cb 0.40 0.05 -0.14 0.00 -1.74 0.00 0.00 68.15 66.71 1xgn h THR 255 CO -0.26 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 175.79 1xgn h LEU 256 N -1.04 -0.02 0.10 2.58 4.07 0.11 -1.22 115.31 119.89 1xgn h LEU 256 Ca -0.07 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1xgn h LEU 256 Cb 0.88 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1xgn h LEU 256 CO -0.01 -0.17 -0.05 -0.08 -1.08 0.00 0.00 178.44 177.05 1xgn h GLU 257 N 0.19 -0.13 -0.73 1.13 4.81 0.33 -1.59 114.58 118.59 1xgn h GLU 257 Ca 0.56 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.93 1xgn h GLU 257 Cb 1.14 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 1xgn h GLU 257 CO -0.67 0.19 0.30 -0.22 -0.73 0.00 0.00 179.01 177.87 1xgn h LYS 258 N -0.46 0.44 -0.09 1.92 3.64 0.25 0.46 116.57 122.73 1xgn h LYS 258 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xgn h LYS 258 Cb 0.38 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xgn h LYS 258 CO 0.02 0.29 0.00 0.00 -2.27 0.00 0.00 179.45 177.49 1xgn n ALA 259 N -2.50 2.38 -3.52 5.00 0.00 -0.91 -4.89 120.51 116.07 1xgn n ALA 259 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 1xgn n ALA 259 Cb 0.39 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.89 1xgn n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgn n GLY 260 N 0.35 -0.68 0.03 0.00 0.00 0.16 -4.92 105.19 100.13 1xgn n GLY 260 Ca 0.00 0.31 -0.02 0.00 0.00 0.00 0.00 46.02 46.31 1xgn n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgn n ALA 261 N -3.94 1.90 -2.59 4.61 0.00 -0.61 -4.43 120.51 115.45 1xgn n ALA 261 Ca -0.20 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.63 1xgn n ALA 261 Cb 0.64 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 20.02 1xgn n ALA 261 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1xgn s ILE 262 N -2.21 1.22 -0.06 0.00 -4.36 -1.25 0.51 121.20 115.06 1xgn s ILE 262 Ca -0.03 -0.93 -0.02 0.00 -0.26 0.00 0.00 60.65 59.41 1xgn s ILE 262 Cb 0.02 -1.07 -0.04 0.00 1.25 0.00 0.00 42.46 42.62 1xgn s ILE 262 CO 0.27 0.13 0.07 -0.47 0.24 0.00 0.00 174.94 175.18 1xgn s TYR 263 N -0.70 3.31 -0.14 1.37 5.04 0.37 -4.51 117.35 122.09 1xgn s TYR 263 Ca 0.04 0.27 -0.05 0.00 -2.44 0.00 0.00 57.07 54.89 1xgn s TYR 263 Cb -0.07 -1.80 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 1xgn s TYR 263 CO 0.01 0.56 0.04 0.20 -1.34 0.00 0.00 175.55 175.02 1xgn s GLY 264 N -1.29 1.89 -0.33 8.97 0.00 -1.26 -0.11 107.32 115.19 1xgn s GLY 264 Ca 0.18 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 1xgn s GLY 264 CO 0.08 -0.22 0.05 -0.19 0.00 0.00 0.00 173.10 172.82 1xgn s TYR 265 N -0.20 3.46 0.48 1.90 2.02 -1.09 -5.02 117.35 118.90 1xgn s TYR 265 Ca 0.07 -2.32 0.06 0.00 -0.37 0.00 0.00 57.07 54.51 1xgn s TYR 265 Cb -0.12 -2.57 0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1xgn s TYR 265 CO 0.02 -0.89 0.66 -1.25 -1.57 0.00 0.00 175.55 172.52 1xgn s PRO 266 N 1.13 2.65 0.12 -1.71 0.04 -1.26 -4.08 135.00 131.89 1xgn s PRO 266 Ca 0.01 -1.16 -0.34 0.00 0.04 0.00 0.00 61.00 59.55 1xgn s PRO 266 Cb -0.20 -2.66 -0.18 0.00 0.04 0.00 0.00 34.50 31.50 1xgn s PRO 266 CO -0.04 -0.50 0.95 0.28 0.04 0.00 0.00 177.00 177.73 1xgn n VAL 267 N -2.06 0.90 -4.84 -0.36 0.31 -1.04 -4.57 118.33 106.67 1xgn n VAL 267 Ca 0.09 -0.22 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1xgn n VAL 267 Cb 0.60 -0.31 -0.13 0.00 -0.91 0.00 0.00 33.84 33.08 1xgn n VAL 267 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xgn s LEU 268 N 1.09 2.76 0.21 7.52 1.43 -0.06 0.36 118.68 132.00 1xgn s LEU 268 Ca 0.77 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.70 1xgn s LEU 268 Cb -1.02 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1xgn s LEU 268 CO 0.55 0.30 -0.06 -0.54 0.23 0.00 0.00 176.35 176.82 1xgn s LYS 269 N -0.43 1.30 -0.03 1.70 1.02 -0.13 -0.43 119.74 122.74 1xgn s LYS 269 Ca 0.05 -1.62 -0.29 0.00 0.02 0.00 0.00 55.97 54.13 1xgn s LYS 269 Cb -0.12 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1xgn s LYS 269 CO 0.02 0.02 0.94 -2.00 -0.92 0.00 0.00 175.35 173.41 1xgn s GLU 270 N -3.77 4.52 0.21 1.68 -6.30 -0.56 -0.40 118.70 114.09 1xgn s GLU 270 Ca 0.25 1.34 0.11 0.00 -2.50 0.00 0.00 54.97 54.16 1xgn s GLU 270 Cb 0.03 -3.47 0.59 0.00 0.00 0.00 0.00 34.13 31.28 1xgn s GLU 270 CO 0.07 -0.07 1.24 0.44 0.02 0.00 0.00 175.26 176.96 1xgn n ILE 271 N 3.98 1.01 -1.87 -3.70 -5.35 -0.37 0.46 119.36 113.53 1xgn n ILE 271 Ca 0.05 0.66 0.05 0.00 -0.27 0.00 0.00 62.75 63.25 1xgn n ILE 271 Cb 0.51 -1.66 0.11 0.00 -1.74 0.00 0.00 39.64 36.85 1xgn n ILE 271 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1xgn n ARG 272 N -1.87 0.79 -1.68 6.28 3.00 -1.26 -4.97 116.66 116.94 1xgn n ARG 272 Ca -0.01 -2.44 -0.16 0.00 -0.01 0.00 0.00 57.85 55.23 1xgn n ARG 272 Cb 0.18 -0.91 -0.05 0.00 0.00 0.00 0.00 32.46 31.68 1xgn n ARG 272 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1xgn n ASN 273 N -0.48 -4.27 -4.76 0.55 3.02 0.17 -4.89 115.26 104.60 1xgn n ASN 273 Ca 0.12 0.32 -0.37 0.00 -0.03 0.00 0.00 54.58 54.62 1xgn n ASN 273 Cb 0.84 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 36.19 1xgn n ASN 273 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xgn s GLY 274 N -2.26 2.76 0.49 7.41 0.00 -1.26 -4.64 107.32 109.82 1xgn s GLY 274 Ca 0.00 1.00 -0.23 0.00 0.00 0.00 0.00 44.72 45.48 1xgn s GLY 274 CO 0.00 1.43 1.31 -0.42 0.00 0.00 0.00 173.10 175.43 1xgn s ILE 275 N -1.55 2.41 -0.03 0.90 -1.09 -1.26 -4.17 121.20 116.41 1xgn s ILE 275 Ca 0.69 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 59.49 1xgn s ILE 275 Cb -0.30 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.40 1xgn s ILE 275 CO 0.35 0.01 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.21 1xgn s VAL 276 N -1.34 1.43 0.02 2.92 1.01 -0.49 -2.41 120.40 121.54 1xgn s VAL 276 Ca 0.65 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1xgn s VAL 276 Cb -0.38 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1xgn s VAL 276 CO 0.46 0.41 -0.13 0.00 0.00 0.00 0.00 175.10 175.84 1xgn s ALA 277 N -0.14 1.05 0.06 5.51 0.00 -0.43 -4.72 121.76 123.08 1xgn s ALA 277 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 1xgn s ALA 277 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1xgn s ALA 277 CO 0.01 0.22 0.09 1.14 0.00 0.00 0.00 175.76 177.21 1xgn s GLN 278 N -0.77 0.67 -0.12 0.00 -2.07 -1.26 -1.77 119.66 114.33 1xgn s GLN 278 Ca 0.02 -0.94 -0.07 0.00 -1.82 0.00 0.00 55.36 52.56 1xgn s GLN 278 Cb -0.06 0.26 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1xgn s GLN 278 CO 0.00 -0.17 0.29 -0.06 -1.32 0.00 0.00 175.29 174.03 1xgn s PHE 279 N -3.33 -0.40 0.03 9.60 0.08 -1.21 -1.68 117.98 121.06 1xgn s PHE 279 Ca 0.01 0.91 0.04 0.00 0.12 0.00 0.00 56.93 58.01 1xgn s PHE 279 Cb 0.03 0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.57 1xgn s PHE 279 CO -0.08 -0.25 -0.12 -2.00 -0.10 0.00 0.00 175.22 172.66 1xgn s GLU 280 N 1.21 0.82 -0.11 0.44 2.12 0.69 -3.40 118.70 120.46 1xgn s GLU 280 Ca -0.09 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.46 1xgn s GLU 280 Cb -0.09 -0.78 0.03 0.00 0.26 0.00 0.00 34.13 33.55 1xgn s GLU 280 CO -0.09 0.19 0.29 -1.01 -0.54 0.00 0.00 175.26 174.11 1xgn s HIS 281 N -0.85 -0.34 0.29 5.30 3.76 -1.07 -2.51 115.29 119.87 1xgn s HIS 281 Ca -0.00 0.82 -0.09 0.00 -0.15 0.00 0.00 55.06 55.64 1xgn s HIS 281 Cb -0.07 0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.66 1xgn s HIS 281 CO 0.01 -0.18 0.61 0.99 -0.85 0.00 0.00 174.74 175.32 1xgn s THR 282 N 0.41 4.91 0.11 1.30 2.01 -1.12 -1.67 115.64 121.60 1xgn s THR 282 Ca -0.02 0.40 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1xgn s THR 282 Cb -0.04 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1xgn s THR 282 CO -0.02 -0.24 0.12 0.27 -0.69 0.00 0.00 174.62 174.06 1xgn s ILE 283 N -2.02 0.13 -0.05 1.82 -4.36 0.17 -2.03 121.20 114.86 1xgn s ILE 283 Ca 0.47 -1.60 0.05 0.00 -0.26 0.00 0.00 60.65 59.31 1xgn s ILE 283 Cb -0.11 -1.73 -0.00 0.00 1.25 0.00 0.00 42.46 41.87 1xgn s ILE 283 CO 0.26 -0.58 -0.18 -0.63 0.24 0.00 0.00 174.94 174.04 1xgn s ILE 284 N -3.96 1.54 -0.19 8.37 1.01 -0.27 -1.51 121.20 126.19 1xgn s ILE 284 Ca 0.15 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1xgn s ILE 284 Cb 0.06 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1xgn s ILE 284 CO -0.04 0.44 0.42 -0.69 0.00 0.00 0.00 174.94 175.07 1xgn s VAL 285 N 0.02 5.19 0.26 2.92 1.01 0.24 -1.40 120.40 128.64 1xgn s VAL 285 Ca -0.04 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1xgn s VAL 285 Cb -0.12 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1xgn s VAL 285 CO 0.03 0.26 0.27 -0.70 0.00 0.00 0.00 175.10 174.95 1xgn s GLU 286 N 1.22 3.07 0.64 2.72 2.56 -0.78 -1.33 118.70 126.80 1xgn s GLU 286 Ca 0.21 -0.99 0.38 0.00 0.00 0.00 0.00 54.97 54.56 1xgn s GLU 286 Cb -0.15 -2.67 2.11 0.00 2.00 0.00 0.00 34.13 35.43 1xgn s GLU 286 CO 0.08 0.36 2.26 0.87 -0.56 0.00 0.00 175.26 178.27 1xgn h LYS 287 N 1.33 0.00 0.00 4.30 1.57 -1.94 -2.37 116.57 119.47 1xgn h LYS 287 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1xgn h LYS 287 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xgn h LYS 287 CO 0.60 0.00 -0.34 -0.25 -0.57 0.00 0.00 179.45 178.89 1xgn n ASP 288 N -3.32 0.01 0.00 0.86 10.43 -1.26 -4.26 116.55 119.01 1xgn n ASP 288 Ca -0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.34 1xgn n ASP 288 Cb 0.14 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.10 1xgn n ASP 288 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1xgn n SER 289 N -2.66 0.57 -3.68 -2.24 3.41 -1.26 -4.67 113.62 103.09 1xgn n SER 289 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1xgn n SER 289 Cb 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.07 1xgn n SER 289 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xgn s VAL 290 N 1.77 0.06 -0.09 -3.33 -7.23 -1.26 -1.86 120.40 108.45 1xgn s VAL 290 Ca 0.00 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1xgn s VAL 290 Cb 0.00 -1.32 0.02 0.00 0.56 0.00 0.00 36.38 35.64 1xgn s VAL 290 CO 0.00 -0.25 -0.09 0.27 -0.31 0.00 0.00 175.10 174.71 1xgn s ILE 291 N -3.83 1.04 -0.60 -0.62 -4.36 -0.50 -4.92 121.20 107.41 1xgn s ILE 291 Ca 0.05 -0.35 -0.28 0.00 -0.26 0.00 0.00 60.65 59.81 1xgn s ILE 291 Cb 0.01 -1.01 0.03 0.00 1.25 0.00 0.00 42.46 42.74 1xgn s ILE 291 CO -0.09 0.35 1.23 -0.69 0.24 0.00 0.00 174.94 175.98 1xgn s VAL 292 N 1.23 3.95 -1.86 8.37 1.01 -1.26 -1.12 120.40 130.72 1xgn s VAL 292 Ca -0.04 0.82 0.04 0.00 0.00 0.00 0.00 61.98 62.81 1xgn s VAL 292 Cb -0.14 -4.72 0.12 0.00 0.00 0.00 0.00 36.38 31.64 1xgn s VAL 292 CO -0.03 -1.38 0.80 0.35 0.00 0.00 0.00 175.10 174.84 1xgn n THR 293 N 6.66 0.23 -4.14 3.92 -2.24 -0.86 -4.40 114.28 113.45 1xgn n THR 293 Ca 0.08 0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.66 1xgn n THR 293 Cb 0.49 -0.99 -0.17 0.00 -2.10 0.00 0.00 70.33 67.56 1xgn n THR 293 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1xgn s THR 294 N -2.14 1.04 0.00 4.28 -4.23 -1.26 -3.87 115.64 109.47 1xgn s THR 294 Ca 0.06 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1xgn s THR 294 Cb 0.03 -1.02 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1xgn s THR 294 CO 0.06 0.36 0.00 1.21 -0.54 0.00 0.00 174.62 175.70