#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwa s VAL 2 N 0.00 5.13 0.07 3.17 1.01 -1.26 -4.51 120.40 124.01 1xwa s VAL 2 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.59 1xwa s VAL 2 Cb 0.00 -4.68 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1xwa s VAL 2 CO 0.00 -1.34 1.07 -0.47 0.00 0.00 0.00 175.10 174.36 1xwa s TYR 3 N 1.50 3.60 -0.26 5.22 6.14 -1.21 -4.78 117.35 127.57 1xwa s TYR 3 Ca 0.29 1.57 -0.15 0.00 0.64 0.00 0.00 57.07 59.42 1xwa s TYR 3 Cb -0.07 -3.23 -0.04 0.00 0.42 0.00 0.00 41.96 39.04 1xwa s TYR 3 CO -0.08 -0.49 0.38 -1.14 0.64 0.00 0.00 175.55 174.85 1xwa s GLN 4 N 0.60 4.05 0.81 4.97 0.74 -1.26 -0.56 119.66 129.01 1xwa s GLN 4 Ca 0.53 0.07 -0.13 0.00 0.05 0.00 0.00 55.36 55.88 1xwa s GLN 4 Cb -0.26 -3.63 0.08 0.00 1.10 0.00 0.00 33.01 30.31 1xwa s GLN 4 CO 0.30 -0.22 1.18 0.14 -0.55 0.00 0.00 175.29 176.14 1xwa s VAL 5 N 1.90 2.21 -0.02 1.34 -7.23 0.06 -4.91 120.40 113.74 1xwa s VAL 5 Ca 0.16 0.09 0.11 0.00 -1.81 0.00 0.00 61.98 60.52 1xwa s VAL 5 Cb -0.15 -2.44 -0.17 0.00 0.56 0.00 0.00 36.38 34.17 1xwa s VAL 5 CO 0.09 -0.07 0.23 0.29 -0.31 0.00 0.00 175.10 175.34 1xwa n LYS 6 N -3.38 0.49 -3.85 4.82 5.02 -1.26 -4.76 118.16 115.24 1xwa n LYS 6 Ca 0.13 -0.10 -0.02 0.00 -2.02 0.00 0.00 58.31 56.30 1xwa n LYS 6 Cb 0.51 -1.27 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 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 -3.39 -0.04 0.46 4.39 -4.77 -1.26 -4.92 116.67 107.15 1xwa s ASP 7 Ca -0.04 -0.55 0.20 0.00 -3.30 0.00 0.00 52.55 48.85 1xwa s ASP 7 Cb 0.07 0.45 1.10 0.00 -1.09 0.00 0.00 42.92 43.45 1xwa s ASP 7 CO 0.47 -0.88 1.97 0.50 0.70 0.00 0.00 175.17 177.93 1xwa h LYS 8 N 2.00 0.00 0.03 2.11 3.64 -1.97 -1.57 116.57 120.80 1xwa h LYS 8 Ca -0.27 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 58.87 1xwa h LYS 8 Cb 1.22 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1xwa h LYS 8 CO 0.33 0.21 -1.01 0.00 -2.27 0.00 0.00 179.45 176.71 1xwa h ALA 9 N 1.79 0.27 -0.45 5.00 0.00 -1.98 -1.70 119.26 122.19 1xwa h ALA 9 Ca -0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 1xwa h ALA 9 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1xwa h ALA 9 CO 0.03 0.80 0.06 0.22 0.00 0.00 0.00 179.25 180.37 1xwa h ASP 10 N 0.24 0.73 -0.31 0.00 3.58 -1.85 0.13 116.42 118.93 1xwa h ASP 10 Ca -0.10 -0.27 0.03 0.00 0.42 0.00 0.00 57.03 57.11 1xwa h ASP 10 Cb 1.67 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 42.49 1xwa h ASP 10 CO 0.18 0.81 0.14 0.25 -2.88 0.00 0.00 179.24 177.73 1xwa h LEU 11 N 0.62 0.18 -0.33 2.28 5.85 -1.27 0.46 115.31 123.10 1xwa h LEU 11 Ca 0.14 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1xwa h LEU 11 Cb 0.40 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1xwa h LEU 11 CO 0.01 0.14 0.13 0.44 -0.34 0.00 0.00 178.44 178.83 1xwa h ASP 12 N 0.29 0.17 0.64 1.25 3.45 -0.89 0.24 116.42 121.56 1xwa h ASP 12 Ca 0.13 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 1xwa h ASP 12 Cb 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 1xwa h ASP 12 CO -0.11 0.13 -0.02 1.23 -1.57 0.00 0.00 179.24 178.90 1xwa h GLY 13 N 0.29 0.00 1.06 2.75 0.00 -0.01 -2.38 103.07 104.78 1xwa h GLY 13 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.13 1xwa h GLY 13 CO -0.13 0.00 -1.62 -1.61 0.00 0.00 0.00 176.54 173.18 1xwa h GLN 14 N 0.00 0.46 -0.33 4.80 5.75 0.19 -3.12 115.11 122.87 1xwa h GLN 14 Ca -0.00 -0.79 -0.06 0.00 -0.15 0.00 0.00 58.65 57.65 1xwa h GLN 14 Cb 0.35 0.30 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1xwa h GLN 14 CO 0.00 1.38 -0.06 -0.07 -2.65 0.00 0.00 178.83 177.44 1xwa h LEU 15 N 0.12 0.51 -0.33 -2.39 3.38 -0.35 -1.82 115.31 114.43 1xwa h LEU 15 Ca -0.31 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1xwa h LEU 15 Cb 2.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1xwa h LEU 15 CO 0.22 0.62 0.05 0.71 0.09 0.00 0.00 178.44 180.13 1xwa h THR 16 N 0.50 1.24 -0.61 0.22 1.35 -1.52 -2.92 112.91 111.18 1xwa h THR 16 Ca 0.10 -0.84 -0.08 0.00 -0.55 0.00 0.00 66.41 65.04 1xwa h THR 16 Cb 0.41 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 1xwa h THR 16 CO 0.02 0.28 0.05 0.11 -0.25 0.00 0.00 175.52 175.73 1xwa h LYS 17 N 0.38 1.02 0.00 4.72 1.57 -1.44 -1.05 116.57 121.78 1xwa h LYS 17 Ca 0.10 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1xwa h LYS 17 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1xwa h LYS 17 CO 0.01 0.97 0.18 0.00 -0.57 0.00 0.00 179.45 180.04 1xwa h ALA 18 N 1.10 1.17 -0.45 3.86 0.00 -1.17 -3.45 119.26 120.32 1xwa h ALA 18 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xwa h ALA 18 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xwa h ALA 18 CO 0.02 -0.17 0.00 0.45 0.00 0.00 0.00 179.25 179.55 1xwa n SER 19 N -2.85 0.00 -0.97 0.00 2.88 -0.40 -0.73 113.62 111.56 1xwa n SER 19 Ca -0.02 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.60 1xwa n SER 19 Cb 0.23 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 63.92 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 2.55 3.88 0.46 0.00 -1.26 -4.23 105.19 106.59 1xwa n GLY 20 Ca 0.00 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.02 3.17 0.17 1.61 1.02 0.09 -4.72 119.74 120.06 1xwa s LYS 21 Ca 0.35 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.53 1xwa s LYS 21 Cb 0.18 -2.10 -0.08 0.00 -0.52 0.00 0.00 37.83 35.32 1xwa s LYS 21 CO 0.24 -0.78 1.20 -1.17 -0.92 0.00 0.00 175.35 173.92 1xwa s LEU 22 N -5.21 4.44 -0.14 3.17 2.96 -1.02 -4.55 118.68 118.33 1xwa s LEU 22 Ca 0.56 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.66 1xwa s LEU 22 Cb -0.11 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1xwa s LEU 22 CO 0.51 -0.38 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.36 1xwa s VAL 23 N 0.10 3.11 -0.30 1.68 1.01 0.12 -0.63 120.40 125.50 1xwa s VAL 23 Ca 0.54 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1xwa s VAL 23 Cb -0.32 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1xwa s VAL 23 CO 0.35 0.51 0.08 -0.69 0.00 0.00 0.00 175.10 175.35 1xwa s VAL 24 N 0.52 3.93 -0.23 2.92 1.01 -0.15 -0.84 120.40 127.55 1xwa s VAL 24 Ca -0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1xwa s VAL 24 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1xwa s VAL 24 CO 0.04 0.05 0.34 -0.76 0.00 0.00 0.00 175.10 174.77 1xwa s LEU 25 N 1.49 4.11 -0.46 3.92 1.43 0.13 -1.07 118.68 128.23 1xwa s LEU 25 Ca 0.02 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1xwa s LEU 25 Cb -0.17 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 43.77 1xwa s LEU 25 CO 0.02 -0.08 0.30 -0.62 0.23 0.00 0.00 176.35 176.21 1xwa s ASP 26 N 1.25 5.53 -0.27 2.29 2.15 0.09 -0.98 116.67 126.73 1xwa s ASP 26 Ca 0.15 -2.01 -0.26 0.00 0.43 0.00 0.00 52.55 50.86 1xwa s ASP 26 Cb -0.15 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1xwa s ASP 26 CO 0.08 -0.62 0.90 -0.36 -0.17 0.00 0.00 175.17 175.00 1xwa s PHE 27 N 1.20 3.25 0.32 -5.34 0.08 -0.33 -0.79 117.98 116.37 1xwa s PHE 27 Ca 0.07 1.11 0.03 0.00 0.12 0.00 0.00 56.93 58.26 1xwa s PHE 27 Cb -0.24 -3.26 -0.02 0.00 -0.57 0.00 0.00 43.02 38.92 1xwa s PHE 27 CO -0.02 -0.54 0.33 -0.59 -0.10 0.00 0.00 175.22 174.30 1xwa s PHE 28 N 3.10 1.43 -0.09 0.36 -0.12 -0.78 -2.31 117.98 119.57 1xwa s PHE 28 Ca 0.38 -1.49 -0.14 0.00 -0.05 0.00 0.00 56.93 55.62 1xwa s PHE 28 Cb -0.14 -0.47 0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1xwa s PHE 28 CO 0.10 -0.94 0.36 0.00 -0.05 0.00 0.00 175.22 174.70 1xwa s ALA 29 N -3.40 -0.91 0.41 1.99 0.00 -1.26 -1.26 121.76 117.33 1xwa s ALA 29 Ca 0.37 0.78 0.33 0.00 0.00 0.00 0.00 51.96 53.44 1xwa s ALA 29 Cb 0.02 -0.31 1.68 0.00 0.00 0.00 0.00 23.12 24.51 1xwa s ALA 29 CO 0.23 -0.22 2.13 1.79 0.00 0.00 0.00 175.76 179.69 1xwa h THR 30 N 4.21 0.29 -0.02 0.00 1.35 -2.01 -1.99 112.91 114.75 1xwa h THR 30 Ca -0.28 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1xwa h THR 30 Cb 1.18 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1xwa h THR 30 CO 0.33 0.06 -0.01 -2.67 -0.25 0.00 0.00 175.52 172.97 1xwa n TRP 31 N -3.38 0.00 -3.17 4.73 4.27 -1.26 -4.85 117.44 113.79 1xwa n TRP 31 Ca -0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 1xwa n TRP 31 Cb 0.21 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.08 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 9.50 -0.30 1.48 0.00 0.00 -1.88 -2.23 103.07 109.64 1xwa h GLY 33 Ca -0.26 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.35 1xwa h GLY 33 CO 0.86 -0.17 0.20 -2.55 0.00 0.00 0.00 176.54 174.88 1xwa h PRO 34 N -0.33 0.08 -0.45 4.80 0.11 -1.94 -0.02 132.00 134.25 1xwa h PRO 34 Ca 0.03 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 1xwa h PRO 34 Cb 0.36 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1xwa h PRO 34 CO -0.11 0.06 -0.06 0.00 -0.21 0.00 0.00 178.00 177.68 1xwa h LYS 36 N 0.68 0.35 -0.10 0.00 1.57 -0.68 -2.68 116.57 115.71 1xwa h LYS 36 Ca 0.12 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1xwa h LYS 36 Cb 0.58 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1xwa h LYS 36 CO 0.03 0.77 -0.37 1.98 -0.57 0.00 0.00 179.45 181.29 1xwa h MET 37 N 0.28 0.21 0.00 3.15 4.05 -0.77 -3.06 114.93 118.78 1xwa h MET 37 Ca 0.01 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1xwa h MET 37 Cb 0.98 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 1xwa h MET 37 CO 0.08 0.56 -0.63 1.51 0.23 0.00 0.00 176.91 178.66 1xwa n ILE 38 N -4.06 0.34 -0.17 1.77 0.13 -0.78 -4.39 119.36 112.20 1xwa n ILE 38 Ca -0.01 -0.27 -0.03 0.00 -1.10 0.00 0.00 62.75 61.34 1xwa n ILE 38 Cb 0.45 -0.11 0.03 0.00 -0.84 0.00 0.00 39.64 39.17 1xwa n ILE 38 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1xwa h SER 39 N 0.00 -0.75 -0.95 9.51 0.87 -1.37 -1.13 113.55 119.74 1xwa h SER 39 Ca 0.00 0.19 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 1xwa h SER 39 Cb 0.74 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 63.05 1xwa h SER 39 CO 0.00 -0.24 0.60 -0.65 -0.53 0.00 0.00 176.83 176.01 1xwa h PRO 40 N -0.08 0.88 -0.62 2.24 0.11 -1.78 -1.02 132.00 131.74 1xwa h PRO 40 Ca 0.25 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 1xwa h PRO 40 Cb 0.47 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 1xwa h PRO 40 CO -0.60 0.58 0.15 -0.22 -0.21 0.00 0.00 178.00 177.71 1xwa h LYS 41 N 0.91 0.99 -0.86 1.05 1.63 -1.51 -1.13 116.57 117.65 1xwa h LYS 41 Ca 0.46 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 1xwa h LYS 41 Cb 0.50 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 1xwa h LYS 41 CO -0.22 0.90 0.46 -0.07 -3.45 0.00 0.00 179.45 177.07 1xwa h LEU 42 N 0.91 1.08 0.08 5.20 3.38 -0.56 -0.15 115.31 125.24 1xwa h LEU 42 Ca 0.19 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xwa h LEU 42 Cb 0.36 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xwa h LEU 42 CO 0.00 0.88 -0.04 0.58 0.09 0.00 0.00 178.44 179.96 1xwa h VAL 43 N 1.20 0.99 -0.63 1.22 2.07 -0.99 0.24 116.25 120.35 1xwa h VAL 43 Ca 0.30 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1xwa h VAL 43 Cb 0.05 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 1xwa h VAL 43 CO -0.05 0.06 0.28 -0.08 0.02 0.00 0.00 177.57 177.80 1xwa h GLU 44 N -0.20 0.48 -0.38 1.57 4.81 -0.91 -2.06 114.58 117.89 1xwa h GLU 44 Ca -0.01 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1xwa h GLU 44 Cb 0.17 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1xwa h GLU 44 CO 0.02 0.32 -0.37 -0.07 -0.73 0.00 0.00 179.01 178.17 1xwa h LEU 45 N 0.49 0.96 -1.51 1.64 3.38 -0.79 -0.92 115.31 118.56 1xwa h LEU 45 Ca 0.31 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1xwa h LEU 45 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xwa h LEU 45 CO -0.27 1.22 0.07 0.77 0.09 0.00 0.00 178.44 180.32 1xwa h SER 46 N 0.74 0.35 0.12 -0.43 4.64 -0.48 0.21 113.55 118.71 1xwa h SER 46 Ca 0.06 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 1xwa h SER 46 Cb 0.95 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.97 1xwa h SER 46 CO 0.09 0.36 -0.75 0.74 -0.87 0.00 0.00 176.83 176.40 1xwa h THR 47 N 0.39 1.51 -0.89 2.95 2.02 -1.27 -2.82 112.91 114.80 1xwa h THR 47 Ca 0.10 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 64.81 1xwa h THR 47 Cb 0.15 3.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.64 1xwa h THR 47 CO -0.00 0.70 0.53 -0.61 0.37 0.00 0.00 175.52 176.51 1xwa h GLN 48 N -0.36 1.21 -0.74 6.66 4.15 -0.87 -3.07 115.11 122.08 1xwa h GLN 48 Ca -0.13 -0.11 -0.49 0.00 0.77 0.00 0.00 58.65 58.69 1xwa h GLN 48 Cb 1.57 -0.25 -0.29 0.00 0.21 0.00 0.00 27.48 28.72 1xwa h GLN 48 CO 0.14 0.84 0.03 1.19 -1.93 0.00 0.00 178.83 179.11 1xwa n PHE 49 N -4.36 2.49 -1.53 3.99 3.01 0.72 -4.99 117.46 116.80 1xwa n PHE 49 Ca 0.10 -2.30 -0.32 0.00 1.01 0.00 0.00 57.45 55.93 1xwa n PHE 49 Cb 0.06 -0.79 0.07 0.00 -0.01 0.00 0.00 39.48 38.81 1xwa n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xwa s ALA 50 N -3.56 2.37 0.00 4.37 0.00 -1.06 -0.91 121.76 122.96 1xwa s ALA 50 Ca 0.54 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1xwa s ALA 50 Cb 0.45 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1xwa s ALA 50 CO 0.02 -1.51 0.00 -0.25 0.00 0.00 0.00 175.76 174.02 1xwa n ASP 51 N -2.91 0.00 0.00 0.00 10.43 -1.26 -4.60 116.55 118.21 1xwa n ASP 51 Ca 0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.46 1xwa n ASP 51 Cb 0.52 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.48 1xwa n ASP 51 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1xwa n ASN 52 N 1.03 0.02 -3.96 -2.24 5.03 -1.10 -5.01 115.26 109.03 1xwa n ASN 52 Ca 0.00 -0.42 -0.11 0.00 0.87 0.00 0.00 54.58 54.92 1xwa n ASN 52 Cb 0.00 0.85 -0.12 0.00 -1.02 0.00 0.00 39.78 39.49 1xwa n ASN 52 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xwa s VAL 53 N -0.85 0.16 -0.17 2.41 1.01 -0.09 -2.43 120.40 120.45 1xwa s VAL 53 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1xwa s VAL 53 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 36.38 36.16 1xwa s VAL 53 CO 0.00 -0.33 -0.13 -0.69 0.00 0.00 0.00 175.10 173.95 1xwa s VAL 54 N -1.02 1.64 -0.22 2.92 1.01 0.20 -4.60 120.40 120.34 1xwa s VAL 54 Ca -0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 60.99 1xwa s VAL 54 Cb -0.07 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1xwa s VAL 54 CO -0.01 0.37 0.14 -0.69 0.00 0.00 0.00 175.10 174.91 1xwa s VAL 55 N 1.44 5.30 -0.10 2.92 1.01 -1.26 -0.98 120.40 128.73 1xwa s VAL 55 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.18 1xwa s VAL 55 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1xwa s VAL 55 CO -0.10 0.39 -0.13 -0.76 0.00 0.00 0.00 175.10 174.50 1xwa s LEU 56 N 0.73 1.59 0.14 3.92 1.02 -0.23 -3.33 118.68 122.53 1xwa s LEU 56 Ca 0.07 -0.37 -0.17 0.00 0.02 0.00 0.00 54.13 53.68 1xwa s LEU 56 Cb -0.12 -0.98 -0.07 0.00 0.02 0.00 0.00 46.19 45.03 1xwa s LEU 56 CO 0.02 -0.01 0.59 -0.54 0.02 0.00 0.00 176.35 176.42 1xwa s LYS 57 N 1.08 4.08 -0.23 1.70 1.02 0.28 -0.73 119.74 126.94 1xwa s LYS 57 Ca -0.06 0.62 -0.02 0.00 0.02 0.00 0.00 55.97 56.54 1xwa s LYS 57 Cb -0.15 -3.00 0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1xwa s LYS 57 CO -0.02 0.51 0.04 0.08 -0.92 0.00 0.00 175.35 175.03 1xwa s VAL 58 N -1.38 0.71 -0.39 3.17 1.01 0.03 -0.76 120.40 122.79 1xwa s VAL 58 Ca 0.36 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1xwa s VAL 58 Cb -0.16 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1xwa s VAL 58 CO 0.19 -0.31 1.31 -0.62 0.00 0.00 0.00 175.10 175.68 1xwa s ASP 59 N 1.75 6.52 0.52 3.32 -1.08 -1.26 -1.86 116.67 124.58 1xwa s ASP 59 Ca 0.01 0.87 0.20 0.00 -0.52 0.00 0.00 52.55 53.11 1xwa s ASP 59 Cb -0.17 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.11 1xwa s ASP 59 CO -0.12 -1.27 2.14 -0.37 0.52 0.00 0.00 175.17 176.07 1xwa h VAL 60 N 6.24 0.89 -0.03 1.11 -1.51 -1.47 0.34 116.25 121.81 1xwa h VAL 60 Ca -0.26 -0.14 -0.17 0.00 -1.23 0.00 0.00 66.70 64.90 1xwa h VAL 60 Cb 1.09 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 1xwa h VAL 60 CO 1.08 0.04 -0.73 0.44 -1.23 0.00 0.00 177.57 177.16 1xwa h ASP 61 N 0.00 0.25 0.41 4.19 3.32 -1.90 -2.77 116.42 119.92 1xwa h ASP 61 Ca -0.00 -0.17 -0.31 0.00 0.02 0.00 0.00 57.03 56.57 1xwa h ASP 61 Cb 0.07 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1xwa h ASP 61 CO 0.01 0.90 -1.79 -0.62 -1.72 0.00 0.00 179.24 176.01 1xwa n GLU 62 N -3.77 0.65 -2.66 3.56 1.02 -0.78 -4.39 120.64 114.27 1xwa n GLU 62 Ca -0.03 0.28 -0.28 0.00 -0.02 0.00 0.00 57.16 57.11 1xwa n GLU 62 Cb 0.71 -1.77 -0.01 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.84 0.03 0.22 0.00 5.08 -1.69 -0.60 114.58 120.46 1xwa h GLU 64 Ca 0.25 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1xwa h GLU 64 Cb 0.67 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xwa h GLU 64 CO 0.88 0.02 -0.11 -0.44 -1.00 0.00 0.00 179.01 178.37 1xwa h ASP 65 N 0.04 -0.26 -0.62 1.42 3.45 -1.88 -0.15 116.42 118.43 1xwa h ASP 65 Ca 0.44 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.80 1xwa h ASP 65 Cb 1.72 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 40.53 1xwa h ASP 65 CO -0.02 -0.14 0.08 0.40 -1.57 0.00 0.00 179.24 177.99 1xwa h ILE 66 N -0.35 1.26 -0.75 0.35 2.04 -1.54 0.33 117.51 118.85 1xwa h ILE 66 Ca -0.03 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1xwa h ILE 66 Cb 0.27 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1xwa h ILE 66 CO 0.05 0.38 0.46 0.00 0.00 0.00 0.00 178.15 179.05 1xwa h ALA 67 N 1.02 1.00 -0.32 1.87 0.00 -1.19 -0.64 119.26 120.99 1xwa h ALA 67 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1xwa h ALA 67 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xwa h ALA 67 CO 0.02 0.22 -0.10 1.98 0.00 0.00 0.00 179.25 181.37 1xwa h MET 68 N 0.88 0.64 -0.81 0.00 1.85 -0.69 -1.63 114.93 115.17 1xwa h MET 68 Ca 0.31 -0.25 0.08 0.00 -0.61 0.00 0.00 59.70 59.23 1xwa h MET 68 Cb 0.08 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.01 1xwa h MET 68 CO -0.14 0.83 0.47 1.49 -0.40 0.00 0.00 176.91 179.16 1xwa h GLU 69 N 0.41 0.78 -0.42 0.39 4.81 -0.19 -1.50 114.58 118.86 1xwa h GLU 69 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1xwa h GLU 69 Cb 0.60 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1xwa h GLU 69 CO 0.04 0.52 0.00 0.66 -0.73 0.00 0.00 179.01 179.49 1xwa n TYR 70 N -4.73 0.56 -3.89 0.92 4.02 -0.32 -4.93 117.16 108.80 1xwa n TYR 70 Ca 0.13 -0.26 -0.26 0.00 -0.01 0.00 0.00 57.90 57.49 1xwa n TYR 70 Cb 0.24 -0.03 0.01 0.00 -0.02 0.00 0.00 39.34 39.54 1xwa n TYR 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1xwa n ASN 71 N 0.58 -1.99 -4.75 7.72 3.02 -0.57 -4.94 115.26 114.33 1xwa n ASN 71 Ca 0.13 -0.89 -0.40 0.00 -0.03 0.00 0.00 54.58 53.39 1xwa n ASN 71 Cb 0.36 -3.57 -0.05 0.00 -0.61 0.00 0.00 39.78 35.91 1xwa n ASN 71 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwa s ILE 72 N -3.63 3.79 0.00 2.41 -1.09 -0.65 -4.90 121.20 117.13 1xwa s ILE 72 Ca 0.24 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 1xwa s ILE 72 Cb -0.12 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1xwa s ILE 72 CO 0.85 0.43 0.00 -1.54 -1.23 0.00 0.00 174.94 173.45 1xwa n SER 73 N 1.34 0.00 -4.42 3.58 3.41 -1.26 -4.89 113.62 111.39 1xwa n SER 73 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 1xwa n SER 73 Cb 0.46 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.28 1xwa n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1xwa s SER 74 N 0.00 3.47 -0.07 4.04 0.15 -1.26 -5.13 113.70 114.90 1xwa s SER 74 Ca 0.00 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.96 1xwa s SER 74 Cb 0.00 -0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.02 1xwa s SER 74 CO 0.00 0.18 -0.11 -0.04 1.20 0.00 0.00 173.24 174.47 1xwa s MET 75 N -2.11 1.56 0.48 5.44 1.00 -1.26 -3.60 119.30 120.81 1xwa s MET 75 Ca 0.15 -0.36 -0.08 0.00 0.00 0.00 0.00 55.69 55.41 1xwa s MET 75 Cb -0.10 -1.33 -0.05 0.00 0.00 0.00 0.00 34.83 33.35 1xwa s MET 75 CO 0.07 -0.01 0.82 -1.25 0.00 0.00 0.00 175.02 174.66 1xwa s PRO 76 N 0.77 3.63 -0.05 2.03 0.04 -1.26 -4.68 135.00 135.49 1xwa s PRO 76 Ca -0.13 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.34 1xwa s PRO 76 Cb -0.15 -2.33 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 1xwa s PRO 76 CO 0.02 -0.21 -0.19 0.99 0.04 0.00 0.00 177.00 177.65 1xwa s THR 77 N -2.69 1.57 -0.19 1.26 2.01 -0.98 -1.01 115.64 115.61 1xwa s THR 77 Ca 0.50 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 1xwa s THR 77 Cb -0.10 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1xwa s THR 77 CO 0.42 0.45 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.38 1xwa s PHE 78 N 0.09 2.94 -0.14 4.92 0.08 0.10 -1.19 117.98 124.79 1xwa s PHE 78 Ca -0.06 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.21 1xwa s PHE 78 Cb -0.13 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1xwa s PHE 78 CO 0.03 -0.39 -0.09 0.08 -0.10 0.00 0.00 175.22 174.75 1xwa s VAL 79 N 1.06 3.38 -0.21 -0.44 1.01 -0.15 -1.80 120.40 123.25 1xwa s VAL 79 Ca 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1xwa s VAL 79 Cb -0.15 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1xwa s VAL 79 CO -0.00 0.51 -0.04 -0.36 0.00 0.00 0.00 175.10 175.21 1xwa s PHE 80 N 0.32 2.96 0.13 5.22 0.40 -0.32 0.20 117.98 126.89 1xwa s PHE 80 Ca -0.08 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 55.49 1xwa s PHE 80 Cb -0.15 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1xwa s PHE 80 CO 0.05 -0.48 -0.20 -0.51 0.70 0.00 0.00 175.22 174.78 1xwa s LEU 81 N 1.33 2.36 -0.24 -0.37 1.43 -0.02 0.73 118.68 123.90 1xwa s LEU 81 Ca 0.04 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1xwa s LEU 81 Cb -0.14 -0.88 0.12 0.00 0.03 0.00 0.00 46.19 45.32 1xwa s LEU 81 CO -0.02 0.03 0.46 -0.75 0.23 0.00 0.00 176.35 176.30 1xwa s LYS 82 N -2.30 0.40 -1.32 1.70 2.20 -0.38 0.14 119.74 120.18 1xwa s LYS 82 Ca 0.11 0.91 -0.04 0.00 -0.36 0.00 0.00 55.97 56.59 1xwa s LYS 82 Cb -0.08 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1xwa s LYS 82 CO 0.05 -0.43 0.95 0.09 -0.36 0.00 0.00 175.35 175.65 1xwa n ASN 83 N 5.39 -3.12 0.00 1.43 3.02 -1.26 -1.62 115.26 119.10 1xwa n ASN 83 Ca -0.06 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1xwa n ASN 83 Cb 0.50 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 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 -1.54 0.20 3.42 7.41 0.00 -1.26 -4.98 105.19 108.44 1xwa n GLY 84 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.40 3.69 -0.19 1.61 1.01 -0.64 -5.07 120.40 119.40 1xwa s VAL 85 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1xwa s VAL 85 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1xwa s VAL 85 CO 0.00 0.46 1.28 -0.75 0.00 0.00 0.00 175.10 176.09 1xwa s LYS 86 N 0.81 4.16 -0.09 2.72 2.20 -1.26 -1.24 119.74 127.03 1xwa s LYS 86 Ca -0.01 1.58 -0.24 0.00 -0.36 0.00 0.00 55.97 56.95 1xwa s LYS 86 Cb -0.15 -3.80 -0.28 0.00 -1.51 0.00 0.00 37.83 32.09 1xwa s LYS 86 CO 0.02 -0.81 0.77 0.28 -0.36 0.00 0.00 175.35 175.25 1xwa h VAL 87 N 5.61 1.52 -2.54 4.02 2.07 -0.04 -3.49 116.25 123.41 1xwa h VAL 87 Ca -0.27 -2.44 0.14 0.00 0.82 0.00 0.00 66.70 64.96 1xwa h VAL 87 Cb 1.10 3.16 -0.06 0.00 -1.52 0.00 0.00 31.29 33.97 1xwa h VAL 87 CO 0.98 0.66 0.44 -0.70 0.02 0.00 0.00 177.57 178.97 1xwa s GLU 88 N -2.36 1.40 -0.27 1.57 2.12 -1.18 -5.02 118.70 114.96 1xwa s GLU 88 Ca -0.17 -0.81 -0.25 0.00 0.36 0.00 0.00 54.97 54.10 1xwa s GLU 88 Cb 0.00 0.46 0.09 0.00 0.26 0.00 0.00 34.13 34.93 1xwa s GLU 88 CO 0.76 -0.65 0.81 -2.00 -0.54 0.00 0.00 175.26 173.65 1xwa s GLU 89 N -3.15 0.74 0.16 4.30 2.12 -1.26 -1.17 118.70 120.43 1xwa s GLU 89 Ca 0.14 0.87 -0.20 0.00 0.36 0.00 0.00 54.97 56.13 1xwa s GLU 89 Cb -0.03 0.36 0.05 0.00 0.26 0.00 0.00 34.13 34.78 1xwa s GLU 89 CO 0.04 -0.09 0.54 -0.59 -0.54 0.00 0.00 175.26 174.63 1xwa s PHE 90 N 0.31 -0.36 0.15 5.30 -0.71 -0.74 -5.02 117.98 116.91 1xwa s PHE 90 Ca 0.01 0.09 0.10 0.00 -1.04 0.00 0.00 56.93 56.09 1xwa s PHE 90 Cb -0.05 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.18 1xwa s PHE 90 CO -0.01 -0.85 -0.20 0.00 -1.34 0.00 0.00 175.22 172.82 1xwa s ALA 91 N -3.79 2.63 0.00 1.99 0.00 -1.26 -0.72 121.76 120.60 1xwa s ALA 91 Ca 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.52 1xwa s ALA 91 Cb -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1xwa s ALA 91 CO -0.10 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.59 1xwa n GLY 92 N 0.55 3.05 3.30 0.00 0.00 -0.18 -4.90 105.19 107.01 1xwa n GLY 92 Ca -0.14 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 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 0.28 4.24 -3.83 4.61 0.00 -1.26 -4.79 120.51 119.76 1xwa n ALA 93 Ca 0.00 -3.99 -0.34 0.00 0.00 0.00 0.00 53.44 49.11 1xwa n ALA 93 Cb 0.00 -3.41 -0.12 0.00 0.00 0.00 0.00 19.45 15.92 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 3.36 5.00 0.21 0.00 3.84 -1.26 -4.97 114.94 121.12 1xwa s ASN 94 Ca 0.49 -2.48 -0.10 0.00 0.21 0.00 0.00 52.86 50.98 1xwa s ASN 94 Cb 0.05 -1.77 0.24 0.00 -0.55 0.00 0.00 41.25 39.22 1xwa s ASN 94 CO 0.02 -0.41 1.79 0.00 -2.79 0.00 0.00 177.10 175.71 1xwa h ALA 95 N 7.39 0.83 -0.40 1.71 0.00 -1.97 -1.40 119.26 125.42 1xwa h ALA 95 Ca -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xwa h ALA 95 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xwa h ALA 95 CO 0.67 -0.04 0.03 0.87 0.00 0.00 0.00 179.25 180.78 1xwa h LYS 96 N 0.58 0.68 -0.65 0.00 1.57 -1.99 -1.85 116.57 114.91 1xwa h LYS 96 Ca 0.29 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1xwa h LYS 96 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1xwa h LYS 96 CO -0.21 0.75 0.30 -0.09 -0.57 0.00 0.00 179.45 179.63 1xwa h ARG 97 N 0.52 0.93 0.10 3.15 2.43 -1.94 0.44 114.38 120.00 1xwa h ARG 97 Ca 0.12 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xwa h ARG 97 Cb 0.43 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xwa h ARG 97 CO 0.01 0.73 -0.05 1.25 -1.51 0.00 0.00 179.97 180.41 1xwa h LEU 98 N 0.93 -0.11 -0.72 3.80 5.85 -1.05 -1.23 115.31 122.78 1xwa h LEU 98 Ca 0.23 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1xwa h LEU 98 Cb 0.12 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1xwa h LEU 98 CO -0.03 0.09 0.36 -0.08 -0.34 0.00 0.00 178.44 178.44 1xwa h GLU 99 N -0.31 1.03 -0.37 1.25 4.81 -1.10 -2.70 114.58 117.20 1xwa h GLU 99 Ca -0.01 -0.15 0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1xwa h GLU 99 Cb 0.26 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.39 1xwa h GLU 99 CO 0.02 0.80 0.02 -0.44 -0.73 0.00 0.00 179.01 178.68 1xwa h ASP 100 N 1.00 -0.11 -0.33 1.04 3.45 -0.74 -0.48 116.42 120.26 1xwa h ASP 100 Ca 0.25 0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.80 1xwa h ASP 100 Cb 0.10 0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1xwa h ASP 100 CO -0.03 -0.02 0.20 0.58 -1.57 0.00 0.00 179.24 178.40 1xwa h VAL 101 N 0.12 1.05 -0.27 -1.35 2.07 -1.01 -1.54 116.25 115.32 1xwa h VAL 101 Ca 0.18 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1xwa h VAL 101 Cb 0.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xwa h VAL 101 CO -0.29 0.07 0.15 0.40 0.02 0.00 0.00 177.57 177.93 1xwa h ILE 102 N 0.41 1.11 -0.12 4.57 2.04 -1.18 -1.92 117.51 122.42 1xwa h ILE 102 Ca 0.13 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1xwa h ILE 102 Cb -0.02 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1xwa h ILE 102 CO -0.05 0.11 -0.13 0.11 0.00 0.00 0.00 178.15 178.20 1xwa h LYS 103 N 0.33 0.19 0.00 2.37 1.57 -0.91 -0.79 116.57 119.33 1xwa h LYS 103 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1xwa h LYS 103 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xwa h LYS 103 CO -0.02 0.33 -0.40 0.00 -0.57 0.00 0.00 179.45 178.79 1xwa h ALA 104 N 1.69 0.77 0.00 3.86 0.00 -1.10 -3.35 119.26 121.14 1xwa h ALA 104 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xwa h ALA 104 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xwa h ALA 104 CO 0.02 0.00 -0.04 0.09 0.00 0.00 0.00 179.25 179.32 1xwa n ASN 105 N -2.55 1.92 0.00 0.00 4.13 -0.74 -5.09 115.26 112.92 1xwa n ASN 105 Ca 0.03 -2.53 0.06 0.00 1.68 0.00 0.00 54.58 53.83 1xwa n ASN 105 Cb 0.49 -0.24 0.35 0.00 -1.54 0.00 0.00 39.78 38.83 1xwa n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54