#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwa n ALA -3 N 0.00 -1.71 -0.63 0.00 0.00 -1.26 -3.99 120.51 112.91 1xwa n ALA -3 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1xwa n ALA -3 Cb 0.00 -3.06 0.09 0.00 0.00 0.00 0.00 19.45 16.47 1xwa n ALA -3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwa n ALA -2 N -4.46 1.08 0.00 0.00 0.00 -1.26 -4.40 120.51 111.47 1xwa n ALA -2 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1xwa n ALA -2 Cb 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1xwa n ALA -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwa n ALA -1 N -3.85 0.00 0.00 0.00 0.00 -1.26 -4.85 120.51 110.55 1xwa n ALA -1 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1xwa n ALA -1 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 1xwa n ALA -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwa n ALA 0 N 2.13 0.00 -1.08 0.00 0.00 -1.26 -4.93 120.51 115.36 1xwa n ALA 0 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1xwa n ALA 0 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 1xwa n ALA 0 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xwa n MET 1 N -0.04 3.39 -2.81 0.00 2.00 -1.26 -4.86 117.12 113.54 1xwa n MET 1 Ca 0.00 -3.06 -0.43 0.00 0.00 0.00 0.00 57.70 54.21 1xwa n MET 1 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 33.22 31.09 1xwa n MET 1 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1xwa s VAL 2 N -2.99 4.32 -0.04 2.03 1.01 -1.26 -4.33 120.40 119.14 1xwa s VAL 2 Ca 0.51 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 1xwa s VAL 2 Cb 0.42 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1xwa s VAL 2 CO 0.11 -1.56 0.65 -0.47 0.00 0.00 0.00 175.10 173.83 1xwa s TYR 3 N 4.00 3.62 -0.35 5.22 6.14 -0.99 -4.81 117.35 130.18 1xwa s TYR 3 Ca 0.29 1.22 -0.18 0.00 0.64 0.00 0.00 57.07 59.04 1xwa s TYR 3 Cb -0.11 -2.72 -0.00 0.00 0.42 0.00 0.00 41.96 39.55 1xwa s TYR 3 CO 0.04 0.20 0.52 -1.14 0.64 0.00 0.00 175.55 175.81 1xwa s GLN 4 N 0.36 3.64 0.45 4.97 0.74 -1.26 -0.47 119.66 128.09 1xwa s GLN 4 Ca 0.34 -0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.39 1xwa s GLN 4 Cb -0.18 -3.80 -0.08 0.00 1.10 0.00 0.00 33.01 30.05 1xwa s GLN 4 CO 0.18 -0.64 1.29 0.14 -0.55 0.00 0.00 175.29 175.71 1xwa s VAL 5 N 2.42 2.59 -0.09 1.34 -7.23 -0.65 -4.93 120.40 113.85 1xwa s VAL 5 Ca 0.19 0.49 0.15 0.00 -1.81 0.00 0.00 61.98 61.01 1xwa s VAL 5 Cb -0.15 -3.28 -0.20 0.00 0.56 0.00 0.00 36.38 33.31 1xwa s VAL 5 CO 0.13 0.04 0.63 0.29 -0.31 0.00 0.00 175.10 175.89 1xwa n LYS 6 N -0.24 0.64 -3.83 4.82 5.02 -1.26 -4.75 118.16 118.56 1xwa n LYS 6 Ca 0.06 0.22 -0.06 0.00 -2.02 0.00 0.00 58.31 56.51 1xwa n LYS 6 Cb 0.45 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1xwa n LYS 6 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1xwa s ASP 7 N -5.86 -0.08 0.27 4.39 -4.77 -1.26 -4.85 116.67 104.50 1xwa s ASP 7 Ca -0.05 -0.77 -0.04 0.00 -3.30 0.00 0.00 52.55 48.39 1xwa s ASP 7 Cb 0.08 0.66 0.33 0.00 -1.09 0.00 0.00 42.92 42.91 1xwa s ASP 7 CO 0.82 -1.28 1.88 0.50 0.70 0.00 0.00 175.17 177.79 1xwa h LYS 8 N 2.00 1.08 -0.48 2.11 3.64 -1.97 0.14 116.57 123.09 1xwa h LYS 8 Ca -0.27 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 1xwa h LYS 8 Cb 1.24 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1xwa h LYS 8 CO 0.33 0.82 0.04 0.00 -2.27 0.00 0.00 179.45 178.36 1xwa h ALA 9 N 1.35 0.64 -0.74 5.00 0.00 -1.99 0.14 119.26 123.66 1xwa h ALA 9 Ca 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1xwa h ALA 9 Cb 0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xwa h ALA 9 CO -0.04 0.41 0.34 0.22 0.00 0.00 0.00 179.25 180.18 1xwa h ASP 10 N 0.68 0.97 -0.07 0.00 3.58 -1.77 -0.75 116.42 119.05 1xwa h ASP 10 Ca 0.14 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1xwa h ASP 10 Cb 0.45 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.25 1xwa h ASP 10 CO 0.02 0.83 0.02 0.25 -2.88 0.00 0.00 179.24 177.48 1xwa h LEU 11 N 1.05 0.10 -0.75 2.28 5.85 -0.34 -0.48 115.31 123.03 1xwa h LEU 11 Ca 0.25 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.88 1xwa h LEU 11 Cb 0.13 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1xwa h LEU 11 CO -0.03 0.28 0.35 0.44 -0.34 0.00 0.00 178.44 179.15 1xwa h ASP 12 N -0.08 0.42 0.18 1.25 3.45 -0.52 0.17 116.42 121.30 1xwa h ASP 12 Ca 0.02 0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.48 1xwa h ASP 12 Cb 0.22 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1xwa h ASP 12 CO -0.00 0.21 -0.32 1.23 -1.57 0.00 0.00 179.24 178.79 1xwa h GLY 13 N 0.56 0.23 1.12 2.75 0.00 -0.88 -2.43 103.07 104.43 1xwa h GLY 13 Ca 0.39 -0.19 -0.15 0.00 0.00 0.00 0.00 47.33 47.37 1xwa h GLY 13 CO -0.32 0.17 -0.35 -1.61 0.00 0.00 0.00 176.54 174.43 1xwa h GLN 14 N 0.19 0.95 -0.49 4.80 5.75 0.78 -2.47 115.11 124.60 1xwa h GLN 14 Ca 0.02 -0.48 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 1xwa h GLN 14 Cb 0.66 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1xwa h GLN 14 CO 0.05 1.14 0.21 -0.07 -2.65 0.00 0.00 178.83 177.51 1xwa h LEU 15 N 0.77 0.67 -0.66 -2.39 3.38 -0.50 -1.29 115.31 115.29 1xwa h LEU 15 Ca 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xwa h LEU 15 Cb 0.95 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1xwa h LEU 15 CO 0.09 0.64 0.28 0.71 0.09 0.00 0.00 178.44 180.25 1xwa h THR 16 N 0.65 1.23 0.00 0.22 1.35 -1.40 -1.76 112.91 113.21 1xwa h THR 16 Ca 0.17 -0.71 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 1xwa h THR 16 Cb 0.17 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.05 1xwa h THR 16 CO -0.02 0.28 -0.15 0.11 -0.25 0.00 0.00 175.52 175.49 1xwa h LYS 17 N 0.92 0.00 0.00 4.72 1.57 -1.14 -0.57 116.57 122.07 1xwa h LYS 17 Ca 0.22 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1xwa h LYS 17 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1xwa h LYS 17 CO -0.02 0.15 -0.09 0.00 -0.57 0.00 0.00 179.45 178.92 1xwa h ALA 18 N 1.85 1.34 -0.86 3.86 0.00 -0.32 -3.47 119.26 121.65 1xwa h ALA 18 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xwa h ALA 18 Cb 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xwa h ALA 18 CO 0.02 0.12 0.00 0.45 0.00 0.00 0.00 179.25 179.84 1xwa n SER 19 N -3.69 0.00 -0.15 0.00 2.88 -0.22 -1.57 113.62 110.87 1xwa n SER 19 Ca -0.02 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.58 1xwa n SER 19 Cb 0.20 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 1xwa n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xwa n GLY 20 N 0.00 -0.15 3.73 0.46 0.00 -1.26 -4.33 105.19 103.64 1xwa n GLY 20 Ca 0.00 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1xwa n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwa s LYS 21 N -1.93 2.42 0.13 1.61 1.02 -0.61 -4.68 119.74 117.70 1xwa s LYS 21 Ca 0.08 1.95 -0.31 0.00 0.02 0.00 0.00 55.97 57.71 1xwa s LYS 21 Cb 0.10 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.49 1xwa s LYS 21 CO 0.43 -1.67 1.32 -1.17 -0.92 0.00 0.00 175.35 173.34 1xwa s LEU 22 N -4.63 4.38 -0.16 3.17 2.96 -0.38 -4.62 118.68 119.41 1xwa s LEU 22 Ca 0.80 2.27 -0.04 0.00 -0.22 0.00 0.00 54.13 56.93 1xwa s LEU 22 Cb -0.34 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.73 1xwa s LEU 22 CO 0.41 -0.57 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.16 1xwa s VAL 23 N 0.81 4.06 -0.31 1.68 1.01 0.85 -1.13 120.40 127.36 1xwa s VAL 23 Ca 0.61 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 1xwa s VAL 23 Cb -0.35 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.26 1xwa s VAL 23 CO 0.32 0.49 0.09 -0.69 0.00 0.00 0.00 175.10 175.31 1xwa s VAL 24 N 0.37 3.89 -0.26 2.92 1.01 -0.29 -0.95 120.40 127.09 1xwa s VAL 24 Ca -0.03 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 1xwa s VAL 24 Cb -0.14 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1xwa s VAL 24 CO 0.02 -0.02 0.51 -0.76 0.00 0.00 0.00 175.10 174.85 1xwa s LEU 25 N 1.46 4.05 -0.41 3.92 1.43 0.13 -1.24 118.68 128.03 1xwa s LEU 25 Ca 0.01 0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1xwa s LEU 25 Cb -0.18 -2.66 0.09 0.00 0.03 0.00 0.00 46.19 43.47 1xwa s LEU 25 CO 0.03 -0.28 0.23 -0.62 0.23 0.00 0.00 176.35 175.93 1xwa s ASP 26 N 1.54 5.47 -0.37 2.29 2.15 -0.02 -1.34 116.67 126.40 1xwa s ASP 26 Ca 0.21 -1.65 -0.28 0.00 0.43 0.00 0.00 52.55 51.26 1xwa s ASP 26 Cb -0.16 -1.92 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 1xwa s ASP 26 CO 0.09 -0.53 1.05 -0.36 -0.17 0.00 0.00 175.17 175.25 1xwa s PHE 27 N 1.33 3.05 0.30 -5.34 0.08 -0.69 -0.44 117.98 116.27 1xwa s PHE 27 Ca 0.04 0.97 0.07 0.00 0.12 0.00 0.00 56.93 58.12 1xwa s PHE 27 Cb -0.23 -3.85 -0.06 0.00 -0.57 0.00 0.00 43.02 38.31 1xwa s PHE 27 CO -0.00 -0.90 -0.05 0.12 -0.10 0.00 0.00 175.22 174.29 1xwa s PHE 28 N 3.78 2.07 -0.16 0.36 5.36 -0.45 -3.23 117.98 125.71 1xwa s PHE 28 Ca 0.44 -0.68 -0.13 0.00 -0.96 0.00 0.00 56.93 55.60 1xwa s PHE 28 Cb -0.11 -1.21 0.05 0.00 -0.34 0.00 0.00 43.02 41.41 1xwa s PHE 28 CO 0.20 0.33 0.42 0.00 -1.46 0.00 0.00 175.22 174.71 1xwa s ALA 29 N -2.94 -1.06 0.17 11.12 0.00 -1.26 -1.47 121.76 126.32 1xwa s ALA 29 Ca 0.31 1.30 0.35 0.00 0.00 0.00 0.00 51.96 53.92 1xwa s ALA 29 Cb 0.04 -0.77 1.56 0.00 0.00 0.00 0.00 23.12 23.95 1xwa s ALA 29 CO 0.13 -0.22 2.04 1.79 0.00 0.00 0.00 175.76 179.50 1xwa h THR 30 N 4.76 0.00 -0.02 0.00 1.35 -2.01 -2.26 112.91 114.73 1xwa h THR 30 Ca -0.30 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1xwa h THR 30 Cb 1.18 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1xwa h THR 30 CO 0.25 0.00 -0.08 -2.67 -0.25 0.00 0.00 175.52 172.77 1xwa n TRP 31 N -3.02 0.00 -3.13 4.73 4.27 -1.26 -4.87 117.44 114.16 1xwa n TRP 31 Ca -0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1xwa n TRP 31 Cb 0.25 -0.01 -0.07 0.00 -1.36 0.00 0.00 31.31 30.12 1xwa n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xwa h GLY 33 N 9.55 -0.47 1.77 0.00 0.00 -1.89 -2.37 103.07 109.65 1xwa h GLY 33 Ca -0.26 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1xwa h GLY 33 CO 0.87 -0.22 0.09 -2.55 0.00 0.00 0.00 176.54 174.72 1xwa h PRO 34 N -0.46 0.31 -0.46 4.80 0.11 -1.93 -1.95 132.00 132.42 1xwa h PRO 34 Ca 0.04 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1xwa h PRO 34 Cb 0.50 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1xwa h PRO 34 CO -0.18 0.26 0.17 0.00 -0.21 0.00 0.00 178.00 178.04 1xwa h LYS 36 N 0.60 0.53 0.00 0.00 1.57 -1.02 -2.78 116.57 115.47 1xwa h LYS 36 Ca 0.15 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1xwa h LYS 36 Cb 0.22 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1xwa h LYS 36 CO -0.01 0.78 -0.22 1.98 -0.57 0.00 0.00 179.45 181.41 1xwa h MET 37 N 0.46 0.00 0.00 3.15 4.05 -1.08 -2.63 114.93 118.88 1xwa h MET 37 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1xwa h MET 37 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 1xwa h MET 37 CO 0.06 0.22 -0.60 1.51 0.23 0.00 0.00 176.91 178.32 1xwa n ILE 38 N -4.23 0.06 -0.20 1.77 0.13 -0.90 -4.43 119.36 111.57 1xwa n ILE 38 Ca -0.02 -0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1xwa n ILE 38 Cb 0.28 0.25 0.11 0.00 -0.84 0.00 0.00 39.64 39.43 1xwa n ILE 38 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1xwa h SER 39 N 0.00 0.15 -0.14 9.51 0.02 -1.20 -1.69 113.55 120.20 1xwa h SER 39 Ca 0.00 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1xwa h SER 39 Cb 0.55 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1xwa h SER 39 CO 0.00 0.09 0.04 -0.65 -1.14 0.00 0.00 176.83 175.17 1xwa h PRO 40 N 0.36 0.29 -0.14 3.45 0.11 -1.77 -1.13 132.00 133.16 1xwa h PRO 40 Ca 0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 1xwa h PRO 40 Cb 0.41 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1xwa h PRO 40 CO -0.34 0.29 0.03 -0.22 -0.21 0.00 0.00 178.00 177.54 1xwa h LYS 41 N 0.29 0.24 -1.00 1.05 1.63 -1.60 -1.10 116.57 116.08 1xwa h LYS 41 Ca 0.07 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.85 1xwa h LYS 41 Cb 0.13 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 1xwa h LYS 41 CO -0.00 0.41 0.65 -0.07 -3.45 0.00 0.00 179.45 176.99 1xwa h LEU 42 N 0.02 1.09 -0.24 5.20 3.38 -0.90 0.90 115.31 124.77 1xwa h LEU 42 Ca 0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1xwa h LEU 42 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1xwa h LEU 42 CO 0.00 0.75 0.10 0.58 0.09 0.00 0.00 178.44 179.96 1xwa h VAL 43 N 1.27 1.16 -0.09 1.22 2.07 -1.02 -0.01 116.25 120.85 1xwa h VAL 43 Ca 0.40 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1xwa h VAL 43 Cb -0.01 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1xwa h VAL 43 CO -0.12 0.16 -0.12 -0.08 0.02 0.00 0.00 177.57 177.43 1xwa h GLU 44 N 0.24 -0.15 -0.62 1.57 4.81 -0.55 -2.63 114.58 117.24 1xwa h GLU 44 Ca 0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1xwa h GLU 44 Cb 0.16 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1xwa h GLU 44 CO -0.01 -0.10 0.19 -0.07 -0.73 0.00 0.00 179.01 178.29 1xwa h LEU 45 N -0.16 0.88 -1.05 1.64 3.38 -0.66 -1.33 115.31 118.01 1xwa h LEU 45 Ca 0.07 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1xwa h LEU 45 Cb 0.27 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1xwa h LEU 45 CO -0.19 0.83 0.63 0.77 0.09 0.00 0.00 178.44 180.58 1xwa h SER 46 N 0.92 1.02 0.01 -0.43 4.64 -0.65 -0.53 113.55 118.53 1xwa h SER 46 Ca 0.21 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.37 1xwa h SER 46 Cb 0.27 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1xwa h SER 46 CO -0.01 0.66 -0.64 0.74 -0.87 0.00 0.00 176.83 176.71 1xwa h THR 47 N 1.16 1.43 -0.73 2.95 2.02 -1.17 -2.25 112.91 116.31 1xwa h THR 47 Ca 0.41 -2.13 -0.00 0.00 0.77 0.00 0.00 66.41 65.46 1xwa h THR 47 Cb 0.14 2.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 1xwa h THR 47 CO -0.16 0.62 0.45 -0.61 0.37 0.00 0.00 175.52 176.19 1xwa h GLN 48 N -0.12 0.99 -0.26 6.66 4.15 -0.92 -3.02 115.11 122.60 1xwa h GLN 48 Ca -0.08 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 1xwa h GLN 48 Cb 1.36 -0.21 -0.08 0.00 0.21 0.00 0.00 27.48 28.76 1xwa h GLN 48 CO 0.12 0.69 -0.19 1.19 -1.93 0.00 0.00 178.83 178.71 1xwa n PHE 49 N -4.40 0.80 -0.08 3.99 3.01 -0.24 -4.77 117.46 115.78 1xwa n PHE 49 Ca 0.08 -1.57 0.25 0.00 1.01 0.00 0.00 57.45 57.21 1xwa n PHE 49 Cb 0.06 -0.43 0.71 0.00 -0.01 0.00 0.00 39.48 39.82 1xwa n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xwa h ALA 50 N 1.00 2.63 0.00 4.37 0.00 -1.26 0.39 119.26 126.39 1xwa h ALA 50 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xwa h ALA 50 Cb 1.48 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1xwa h ALA 50 CO 0.28 -0.89 -0.20 -0.44 0.00 0.00 0.00 179.25 178.00 1xwa h ASP 51 N 0.00 0.00 0.00 0.00 3.32 -1.87 -3.35 116.42 114.52 1xwa h ASP 51 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1xwa h ASP 51 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1xwa h ASP 51 CO -0.00 0.20 0.00 0.59 -1.72 0.00 0.00 179.24 178.31 1xwa n ASN 52 N -3.18 0.51 -4.07 6.45 4.13 -0.20 -4.99 115.26 113.91 1xwa n ASN 52 Ca 0.03 -0.78 -0.15 0.00 1.68 0.00 0.00 54.58 55.35 1xwa n ASN 52 Cb 0.57 0.31 -0.12 0.00 -1.54 0.00 0.00 39.78 38.99 1xwa n ASN 52 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xwa s VAL 53 N -0.31 0.68 -0.17 2.41 1.01 0.12 -1.25 120.40 122.89 1xwa s VAL 53 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1xwa s VAL 53 Cb 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 36.38 35.73 1xwa s VAL 53 CO 0.00 -0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.11 1xwa s VAL 54 N -1.03 1.49 -0.25 2.92 1.01 -0.29 -4.50 120.40 119.75 1xwa s VAL 54 Ca -0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1xwa s VAL 54 Cb -0.08 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1xwa s VAL 54 CO 0.01 0.25 0.24 -0.69 0.00 0.00 0.00 175.10 174.91 1xwa s VAL 55 N 1.48 5.29 -0.14 2.92 1.01 -1.26 -1.14 120.40 128.56 1xwa s VAL 55 Ca 0.01 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1xwa s VAL 55 Cb -0.15 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 1xwa s VAL 55 CO -0.09 0.27 -0.18 -0.76 0.00 0.00 0.00 175.10 174.34 1xwa s LEU 56 N 1.51 2.36 -0.15 3.92 1.02 -0.37 -2.34 118.68 124.63 1xwa s LEU 56 Ca 0.10 -0.50 -0.13 0.00 0.02 0.00 0.00 54.13 53.62 1xwa s LEU 56 Cb -0.15 -1.52 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 1xwa s LEU 56 CO 0.08 0.10 0.29 -0.75 0.02 0.00 0.00 176.35 176.10 1xwa s LYS 57 N 0.69 4.19 -0.29 1.70 2.20 0.38 -0.84 119.74 127.77 1xwa s LYS 57 Ca -0.08 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1xwa s LYS 57 Cb -0.16 -3.40 0.08 0.00 -1.51 0.00 0.00 37.83 32.84 1xwa s LYS 57 CO 0.02 0.30 -0.04 0.08 -0.36 0.00 0.00 175.35 175.35 1xwa s VAL 58 N 0.29 2.07 -0.32 4.02 1.01 0.41 -1.64 120.40 126.24 1xwa s VAL 58 Ca 0.17 -1.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.03 1xwa s VAL 58 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1xwa s VAL 58 CO 0.04 -0.27 1.28 -0.62 0.00 0.00 0.00 175.10 175.53 1xwa s ASP 59 N 1.09 6.66 0.62 3.32 -1.08 -1.26 -1.34 116.67 124.69 1xwa s ASP 59 Ca -0.01 1.11 0.40 0.00 -0.52 0.00 0.00 52.55 53.53 1xwa s ASP 59 Cb -0.19 -2.54 2.06 0.00 -1.46 0.00 0.00 42.92 40.79 1xwa s ASP 59 CO -0.07 -1.11 2.25 -0.37 0.52 0.00 0.00 175.17 176.39 1xwa h VAL 60 N 6.00 0.07 0.05 1.11 -1.51 -1.54 0.20 116.25 120.63 1xwa h VAL 60 Ca -0.25 -0.17 -0.25 0.00 -1.23 0.00 0.00 66.70 64.80 1xwa h VAL 60 Cb 1.09 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 1xwa h VAL 60 CO 1.04 0.01 -1.19 0.44 -1.23 0.00 0.00 177.57 176.65 1xwa h ASP 61 N 0.00 0.17 0.48 4.19 3.32 -1.91 -3.16 116.42 119.51 1xwa h ASP 61 Ca -0.00 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1xwa h ASP 61 Cb 0.16 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1xwa h ASP 61 CO 0.00 1.15 -1.64 -0.62 -1.72 0.00 0.00 179.24 176.41 1xwa n GLU 62 N -3.39 0.64 -2.88 3.56 1.02 -0.88 -4.49 120.64 114.22 1xwa n GLU 62 Ca -0.06 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 1xwa n GLU 62 Cb 0.98 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 30.68 1xwa n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwa h GLU 64 N 2.91 0.34 -0.35 0.00 5.08 -1.77 -1.64 114.58 119.15 1xwa h GLU 64 Ca 0.14 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1xwa h GLU 64 Cb 0.72 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1xwa h GLU 64 CO 0.74 0.23 0.16 -0.44 -1.00 0.00 0.00 179.01 178.70 1xwa h ASP 65 N 0.35 0.47 -0.46 1.42 3.45 -1.90 0.14 116.42 119.89 1xwa h ASP 65 Ca 0.31 -0.14 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1xwa h ASP 65 Cb 0.74 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.37 1xwa h ASP 65 CO -0.08 0.48 0.19 0.40 -1.57 0.00 0.00 179.24 178.66 1xwa h ILE 66 N 0.43 1.20 -0.48 0.35 2.04 -1.72 0.21 117.51 119.54 1xwa h ILE 66 Ca 0.12 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1xwa h ILE 66 Cb 0.15 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1xwa h ILE 66 CO -0.01 0.23 0.31 0.00 0.00 0.00 0.00 178.15 178.67 1xwa h ALA 67 N 1.04 0.61 -0.30 1.87 0.00 -1.28 -0.55 119.26 120.64 1xwa h ALA 67 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xwa h ALA 67 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1xwa h ALA 67 CO -0.01 0.07 0.14 1.98 0.00 0.00 0.00 179.25 181.42 1xwa h MET 68 N 0.64 0.44 -0.64 0.00 1.85 -0.67 -1.15 114.93 115.39 1xwa h MET 68 Ca 0.17 -0.07 0.08 0.00 -0.61 0.00 0.00 59.70 59.27 1xwa h MET 68 Cb -0.05 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 31.84 1xwa h MET 68 CO -0.04 0.43 0.31 1.49 -0.40 0.00 0.00 176.91 178.70 1xwa h GLU 69 N 0.35 0.53 -0.52 0.39 4.81 -0.01 -0.93 114.58 119.19 1xwa h GLU 69 Ca 0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xwa h GLU 69 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xwa h GLU 69 CO -0.01 0.35 0.00 0.66 -0.73 0.00 0.00 179.01 179.28 1xwa n TYR 70 N -4.89 0.64 -3.87 0.92 4.02 -0.27 -4.93 117.16 108.80 1xwa n TYR 70 Ca 0.09 -0.26 -0.30 0.00 -0.01 0.00 0.00 57.90 57.41 1xwa n TYR 70 Cb 0.23 -0.11 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1xwa n TYR 70 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1xwa n ASN 71 N 0.40 -2.75 -4.76 7.72 4.05 -0.36 -4.93 115.26 114.64 1xwa n ASN 71 Ca 0.12 -1.05 -0.40 0.00 0.45 0.00 0.00 54.58 53.70 1xwa n ASN 71 Cb 0.44 -2.99 -0.06 0.00 1.23 0.00 0.00 39.78 38.40 1xwa n ASN 71 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1xwa s ILE 72 N -3.72 4.13 0.00 -1.44 -1.09 -0.50 -4.90 121.20 113.68 1xwa s ILE 72 Ca 0.25 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.68 1xwa s ILE 72 Cb -0.10 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1xwa s ILE 72 CO 0.89 0.50 0.00 -1.54 -1.23 0.00 0.00 174.94 173.57 1xwa n SER 73 N 1.51 0.00 -4.91 3.58 3.41 -1.26 -4.89 113.62 111.07 1xwa n SER 73 Ca -0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.27 1xwa n SER 73 Cb 0.47 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 1xwa n SER 73 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xwa s SER 74 N -1.29 6.43 -0.07 4.04 0.01 -1.26 -5.10 113.70 116.45 1xwa s SER 74 Ca 0.00 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1xwa s SER 74 Cb 0.00 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.22 1xwa s SER 74 CO 0.00 0.11 -0.06 -0.04 0.41 0.00 0.00 173.24 173.66 1xwa s MET 75 N -2.58 1.15 0.62 12.44 1.00 -1.26 -3.74 119.30 126.93 1xwa s MET 75 Ca 0.38 -0.17 -0.09 0.00 0.00 0.00 0.00 55.69 55.81 1xwa s MET 75 Cb -0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 34.83 33.53 1xwa s MET 75 CO 0.26 -0.15 0.98 -1.25 0.00 0.00 0.00 175.02 174.87 1xwa s PRO 76 N 1.25 3.14 -0.05 2.03 0.04 -1.26 -4.65 135.00 135.50 1xwa s PRO 76 Ca -0.05 0.35 0.02 0.00 0.04 0.00 0.00 61.00 61.37 1xwa s PRO 76 Cb -0.14 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1xwa s PRO 76 CO -0.02 -0.72 -0.10 0.99 0.04 0.00 0.00 177.00 177.19 1xwa s THR 77 N -3.13 0.96 -0.20 1.26 2.01 -1.20 -0.65 115.64 114.70 1xwa s THR 77 Ca 0.55 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 1xwa s THR 77 Cb -0.11 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.51 1xwa s THR 77 CO 0.49 0.31 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.34 1xwa s PHE 78 N 0.50 2.99 -0.15 4.92 0.08 0.58 -1.71 117.98 125.20 1xwa s PHE 78 Ca -0.10 -0.63 -0.00 0.00 0.12 0.00 0.00 56.93 56.32 1xwa s PHE 78 Cb -0.13 -2.06 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 1xwa s PHE 78 CO 0.02 -0.33 -0.13 0.08 -0.10 0.00 0.00 175.22 174.76 1xwa s VAL 79 N 1.06 2.94 -0.20 -0.44 1.01 -0.45 -1.84 120.40 122.49 1xwa s VAL 79 Ca 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 1xwa s VAL 79 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1xwa s VAL 79 CO 0.01 0.51 0.01 -0.36 0.00 0.00 0.00 175.10 175.27 1xwa s PHE 80 N 0.63 3.08 0.14 5.22 0.40 -0.14 0.21 117.98 127.51 1xwa s PHE 80 Ca -0.07 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1xwa s PHE 80 Cb -0.16 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 1xwa s PHE 80 CO 0.03 -0.15 -0.15 -0.51 0.70 0.00 0.00 175.22 175.14 1xwa s LEU 81 N 0.86 2.44 -0.17 -0.37 1.43 -0.12 0.01 118.68 122.77 1xwa s LEU 81 Ca 0.01 -0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 52.18 1xwa s LEU 81 Cb -0.14 -0.61 0.08 0.00 0.03 0.00 0.00 46.19 45.55 1xwa s LEU 81 CO 0.02 -0.14 0.36 -0.75 0.23 0.00 0.00 176.35 176.07 1xwa s LYS 82 N -2.92 0.28 -1.46 1.70 2.20 -0.34 -0.11 119.74 119.09 1xwa s LYS 82 Ca 0.13 0.89 -0.08 0.00 -0.36 0.00 0.00 55.97 56.54 1xwa s LYS 82 Cb -0.04 0.14 0.05 0.00 -1.51 0.00 0.00 37.83 36.48 1xwa s LYS 82 CO 0.04 -0.24 0.82 0.09 -0.36 0.00 0.00 175.35 175.70 1xwa n ASN 83 N 5.13 -3.02 0.00 1.43 3.02 -1.26 -0.39 115.26 120.17 1xwa n ASN 83 Ca -0.11 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1xwa n ASN 83 Cb 0.51 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1xwa n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwa n GLY 84 N -1.67 0.33 3.74 7.41 0.00 -1.26 -4.96 105.19 108.78 1xwa n GLY 84 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1xwa n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwa s VAL 85 N -1.95 5.39 -0.05 1.61 1.01 0.48 -5.05 120.40 121.83 1xwa s VAL 85 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1xwa s VAL 85 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1xwa s VAL 85 CO 0.00 0.46 1.40 -0.75 0.00 0.00 0.00 175.10 176.21 1xwa s LYS 86 N 0.21 4.26 -0.18 2.72 2.20 -1.26 -1.20 119.74 126.48 1xwa s LYS 86 Ca 0.09 1.91 -0.14 0.00 -0.36 0.00 0.00 55.97 57.47 1xwa s LYS 86 Cb -0.11 -3.69 -0.21 0.00 -1.51 0.00 0.00 37.83 32.30 1xwa s LYS 86 CO -0.01 -0.64 0.22 0.28 -0.36 0.00 0.00 175.35 174.83 1xwa n VAL 87 N 4.97 1.64 -3.68 4.02 0.31 0.10 -4.97 118.33 120.72 1xwa n VAL 87 Ca 0.14 -0.34 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 1xwa n VAL 87 Cb 0.44 -1.88 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1xwa n VAL 87 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xwa s GLU 88 N -2.46 0.81 -0.17 5.55 2.12 -1.19 -5.02 118.70 118.34 1xwa s GLU 88 Ca -0.27 -0.44 -0.25 0.00 0.36 0.00 0.00 54.97 54.37 1xwa s GLU 88 Cb 0.07 0.28 0.06 0.00 0.26 0.00 0.00 34.13 34.80 1xwa s GLU 88 CO 0.66 -0.37 0.65 -2.00 -0.54 0.00 0.00 175.26 173.65 1xwa s GLU 89 N -2.88 0.86 0.09 4.30 2.12 -1.26 -0.97 118.70 120.96 1xwa s GLU 89 Ca 0.13 0.63 -0.23 0.00 0.36 0.00 0.00 54.97 55.86 1xwa s GLU 89 Cb 0.01 0.41 0.06 0.00 0.26 0.00 0.00 34.13 34.88 1xwa s GLU 89 CO -0.01 -0.18 0.57 -0.59 -0.54 0.00 0.00 175.26 174.51 1xwa s PHE 90 N -0.26 -0.49 0.14 5.30 -0.71 -0.77 -5.01 117.98 116.18 1xwa s PHE 90 Ca -0.04 0.44 0.08 0.00 -1.04 0.00 0.00 56.93 56.36 1xwa s PHE 90 Cb -0.03 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1xwa s PHE 90 CO 0.04 -0.74 -0.08 0.00 -1.34 0.00 0.00 175.22 173.10 1xwa s ALA 91 N -3.00 3.00 0.00 1.99 0.00 -1.26 -0.30 121.76 122.19 1xwa s ALA 91 Ca -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1xwa s ALA 91 Cb -0.00 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.24 1xwa s ALA 91 CO -0.06 0.57 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1xwa n GLY 92 N 0.38 2.95 2.80 0.00 0.00 0.18 -4.89 105.19 106.62 1xwa n GLY 92 Ca -0.12 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1xwa n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwa n ALA 93 N 0.55 5.40 -3.62 4.61 0.00 -1.26 -4.79 120.51 121.40 1xwa n ALA 93 Ca 0.00 -3.95 -0.39 0.00 0.00 0.00 0.00 53.44 49.09 1xwa n ALA 93 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 19.45 15.91 1xwa n ALA 93 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1xwa s ASN 94 N 2.88 5.59 0.18 0.00 3.84 -1.26 -4.96 114.94 121.21 1xwa s ASN 94 Ca 0.46 -2.09 -0.13 0.00 0.21 0.00 0.00 52.86 51.31 1xwa s ASN 94 Cb 0.13 -1.96 0.12 0.00 -0.55 0.00 0.00 41.25 38.99 1xwa s ASN 94 CO -0.07 -0.61 1.81 0.00 -2.79 0.00 0.00 177.10 175.44 1xwa h ALA 95 N 8.15 0.67 -0.54 1.71 0.00 -1.98 -1.81 119.26 125.46 1xwa h ALA 95 Ca -0.15 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xwa h ALA 95 Cb 1.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1xwa h ALA 95 CO 0.80 -0.01 0.21 0.87 0.00 0.00 0.00 179.25 181.12 1xwa h LYS 96 N 0.59 0.82 -0.68 0.00 1.57 -2.00 -2.43 116.57 114.44 1xwa h LYS 96 Ca 0.22 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1xwa h LYS 96 Cb 0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1xwa h LYS 96 CO -0.11 0.72 0.28 -0.09 -0.57 0.00 0.00 179.45 179.68 1xwa h ARG 97 N 0.74 1.00 -0.10 3.15 2.43 -1.93 -1.22 114.38 118.46 1xwa h ARG 97 Ca 0.18 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1xwa h ARG 97 Cb 0.21 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1xwa h ARG 97 CO -0.01 0.83 -0.04 1.25 -1.51 0.00 0.00 179.97 180.49 1xwa h LEU 98 N 0.96 -0.12 -0.79 3.80 5.85 -1.18 0.00 115.31 123.83 1xwa h LEU 98 Ca 0.23 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1xwa h LEU 98 Cb 0.19 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1xwa h LEU 98 CO -0.02 -0.05 0.35 -0.08 -0.34 0.00 0.00 178.44 178.31 1xwa h GLU 99 N -0.02 1.16 -0.30 1.25 4.81 -1.29 -2.64 114.58 117.55 1xwa h GLU 99 Ca 0.05 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1xwa h GLU 99 Cb 0.10 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1xwa h GLU 99 CO -0.11 0.91 0.18 -0.44 -0.73 0.00 0.00 179.01 178.82 1xwa h ASP 100 N 1.13 0.29 -0.63 1.04 3.45 -0.81 0.07 116.42 120.97 1xwa h ASP 100 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1xwa h ASP 100 Cb 0.16 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 38.84 1xwa h ASP 100 CO -0.03 0.21 0.41 0.58 -1.57 0.00 0.00 179.24 178.84 1xwa h VAL 101 N 0.36 1.17 -0.21 -1.35 2.07 -0.84 -0.60 116.25 116.85 1xwa h VAL 101 Ca 0.11 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1xwa h VAL 101 Cb -0.01 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1xwa h VAL 101 CO -0.05 0.16 0.02 0.40 0.02 0.00 0.00 177.57 178.13 1xwa h ILE 102 N 0.85 1.24 -0.36 4.57 2.04 -1.23 -1.84 117.51 122.77 1xwa h ILE 102 Ca 0.23 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1xwa h ILE 102 Cb -0.08 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1xwa h ILE 102 CO -0.05 0.25 0.13 0.11 0.00 0.00 0.00 178.15 178.59 1xwa h LYS 103 N 0.15 0.51 0.00 2.37 1.57 -0.78 -2.13 116.57 118.26 1xwa h LYS 103 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xwa h LYS 103 Cb 0.35 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xwa h LYS 103 CO 0.01 0.43 -0.14 0.00 -0.57 0.00 0.00 179.45 179.18 1xwa n ALA 104 N -2.48 2.54 -1.42 3.86 0.00 -0.25 -4.01 120.51 118.75 1xwa n ALA 104 Ca 0.02 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.41 1xwa n ALA 104 Cb 0.15 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.40 1xwa n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xwa n ASN 105 N -1.85 1.96 0.00 0.00 4.13 -0.71 -5.08 115.26 113.71 1xwa n ASN 105 Ca 0.06 -3.64 0.00 0.00 1.68 0.00 0.00 54.58 52.68 1xwa n ASN 105 Cb 0.38 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 1xwa n ASN 105 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84