#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 0.00 0.16 2.03 1.01 -1.26 -4.83 120.40 117.51 1xwa s VAL 2 Ca 0.00 -0.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 1xwa s VAL 2 Cb 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.78 1xwa s VAL 2 CO 0.00 -0.00 1.58 -0.47 0.00 0.00 0.00 175.10 176.21 1xwa s TYR 3 N 0.19 3.00 -0.26 5.22 6.14 -1.26 -4.83 117.35 125.54 1xwa s TYR 3 Ca -0.00 0.59 -0.06 0.00 0.64 0.00 0.00 57.07 58.24 1xwa s TYR 3 Cb -0.02 -3.94 -0.01 0.00 0.42 0.00 0.00 41.96 38.41 1xwa s TYR 3 CO 0.00 -3.50 0.04 -1.14 0.64 0.00 0.00 175.55 171.59 1xwa s GLN 4 N 1.28 3.32 0.79 4.97 0.74 -1.26 -1.30 119.66 128.19 1xwa s GLN 4 Ca 0.71 -0.69 -0.14 0.00 0.05 0.00 0.00 55.36 55.28 1xwa s GLN 4 Cb -0.44 -3.24 0.05 0.00 1.10 0.00 0.00 33.01 30.48 1xwa s GLN 4 CO 0.31 -0.30 1.04 1.33 -0.55 0.00 0.00 175.29 177.12 1xwa n VAL 5 N 4.85 2.15 -0.05 1.34 0.24 -0.68 -4.95 118.33 121.25 1xwa n VAL 5 Ca -0.16 -0.27 -0.01 0.00 -2.04 0.00 0.00 64.34 61.86 1xwa n VAL 5 Cb 0.50 -1.11 -0.13 0.00 -1.47 0.00 0.00 33.84 31.63 1xwa n VAL 5 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1xwa n LYS 6 N -2.57 1.04 -3.84 7.34 5.02 -1.26 -4.77 118.16 119.11 1xwa n LYS 6 Ca 0.13 -0.07 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 1xwa n LYS 6 Cb 0.50 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 -4.48 -0.04 0.45 4.39 -4.77 -1.26 -4.89 116.67 106.07 1xwa s ASP 7 Ca -0.07 -0.64 0.12 0.00 -3.30 0.00 0.00 52.55 48.65 1xwa s ASP 7 Cb 0.07 0.52 1.01 0.00 -1.09 0.00 0.00 42.92 43.43 1xwa s ASP 7 CO 0.66 -1.02 2.05 0.50 0.70 0.00 0.00 175.17 178.06 1xwa h LYS 8 N 2.00 0.20 -0.20 2.11 3.64 -1.97 -1.69 116.57 120.65 1xwa h LYS 8 Ca -0.27 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.00 1xwa h LYS 8 Cb 1.22 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1xwa h LYS 8 CO 0.34 0.21 -0.22 0.00 -2.27 0.00 0.00 179.45 177.51 1xwa h ALA 9 N 1.82 0.30 -0.56 5.00 0.00 -1.99 -1.72 119.26 122.11 1xwa h ALA 9 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xwa h ALA 9 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xwa h ALA 9 CO 0.00 0.25 0.29 0.22 0.00 0.00 0.00 179.25 180.01 1xwa h ASP 10 N 0.18 0.70 -0.27 0.00 3.58 -1.84 -1.63 116.42 117.14 1xwa h ASP 10 Ca 0.03 -0.06 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 1xwa h ASP 10 Cb 0.77 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.65 1xwa h ASP 10 CO 0.05 0.58 -0.40 0.25 -2.88 0.00 0.00 179.24 176.84 1xwa h LEU 11 N 0.79 0.82 -1.04 2.28 5.85 -1.24 0.88 115.31 123.65 1xwa h LEU 11 Ca 0.20 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1xwa h LEU 11 Cb 0.05 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1xwa h LEU 11 CO -0.03 1.17 0.53 0.44 -0.34 0.00 0.00 178.44 180.21 1xwa h ASP 12 N 0.49 1.05 0.05 1.25 3.45 -0.92 0.50 116.42 122.28 1xwa h ASP 12 Ca 0.03 -0.06 -0.22 0.00 0.43 0.00 0.00 57.03 57.20 1xwa h ASP 12 Cb 1.00 -0.26 0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1xwa h ASP 12 CO 0.09 0.80 -0.84 1.23 -1.57 0.00 0.00 179.24 178.96 1xwa h GLY 13 N 1.22 0.70 1.38 2.75 0.00 -1.19 -2.61 103.07 105.30 1xwa h GLY 13 Ca 0.31 -1.05 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 1xwa h GLY 13 CO -0.06 0.94 -0.04 -1.61 0.00 0.00 0.00 176.54 175.77 1xwa h GLN 14 N 0.41 0.75 -0.10 4.80 5.75 -0.44 -1.50 115.11 124.77 1xwa h GLN 14 Ca -0.07 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1xwa h GLN 14 Cb 1.46 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.92 1xwa h GLN 14 CO 0.16 0.79 0.02 -0.07 -2.65 0.00 0.00 178.83 177.08 1xwa h LEU 15 N 0.70 0.16 -0.77 -2.39 3.38 -0.88 -2.05 115.31 113.47 1xwa h LEU 15 Ca 0.13 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1xwa h LEU 15 Cb 0.49 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1xwa h LEU 15 CO 0.02 0.38 0.50 0.71 0.09 0.00 0.00 178.44 180.15 1xwa h THR 16 N -0.06 1.15 0.00 0.22 1.35 -1.30 -1.95 112.91 112.32 1xwa h THR 16 Ca 0.03 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.52 1xwa h THR 16 Cb 0.29 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1xwa h THR 16 CO 0.00 0.18 -0.15 0.50 -0.25 0.00 0.00 175.52 175.80 1xwa h LYS 17 N 0.99 0.00 0.00 4.72 3.64 -1.13 -2.39 116.57 122.41 1xwa h LYS 17 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xwa h LYS 17 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xwa h LYS 17 CO -0.09 0.15 0.03 0.00 -2.27 0.00 0.00 179.45 177.27 1xwa n ALA 18 N -2.42 0.98 -0.97 5.00 0.00 -0.73 -4.89 120.51 117.47 1xwa n ALA 18 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1xwa n ALA 18 Cb 0.23 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1xwa n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwa n SER 19 N -1.89 0.00 -1.79 0.00 2.88 -0.90 -1.50 113.62 110.42 1xwa n SER 19 Ca -0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.47 1xwa n SER 19 Cb 0.04 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.74 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 3.30 3.90 0.46 0.00 -1.26 -4.56 105.19 107.03 1xwa n GLY 20 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.51 2.97 0.08 1.61 1.02 -0.56 -4.81 119.74 117.54 1xwa s LYS 21 Ca 0.44 0.19 -0.28 0.00 0.02 0.00 0.00 55.97 56.34 1xwa s LYS 21 Cb 0.36 -2.19 -0.06 0.00 -0.52 0.00 0.00 37.83 35.42 1xwa s LYS 21 CO 0.11 -0.77 0.90 -1.17 -0.92 0.00 0.00 175.35 173.50 1xwa s LEU 22 N -5.10 4.48 -0.13 3.17 2.96 -0.94 -4.46 118.68 118.65 1xwa s LEU 22 Ca 0.55 1.68 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1xwa s LEU 22 Cb -0.11 -3.48 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 1xwa s LEU 22 CO 0.48 -0.05 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.69 1xwa s VAL 23 N 0.05 3.59 -0.32 1.68 1.01 0.43 -1.19 120.40 125.65 1xwa s VAL 23 Ca 0.45 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1xwa s VAL 23 Cb -0.22 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1xwa s VAL 23 CO 0.28 0.52 0.05 -0.69 0.00 0.00 0.00 175.10 175.26 1xwa s VAL 24 N 0.17 3.35 -0.20 2.92 1.01 -0.25 -1.07 120.40 126.33 1xwa s VAL 24 Ca -0.04 -1.29 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 1xwa s VAL 24 Cb -0.14 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1xwa s VAL 24 CO 0.04 -0.15 0.53 -0.76 0.00 0.00 0.00 175.10 174.76 1xwa s LEU 25 N 1.32 4.15 -0.44 3.92 1.43 0.14 -0.84 118.68 128.35 1xwa s LEU 25 Ca -0.03 0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 53.71 1xwa s LEU 25 Cb -0.20 -2.74 0.11 0.00 0.03 0.00 0.00 46.19 43.40 1xwa s LEU 25 CO 0.01 -0.19 0.27 -0.62 0.23 0.00 0.00 176.35 176.05 1xwa s ASP 26 N 1.14 5.48 -0.28 2.29 2.15 0.89 -1.61 116.67 126.74 1xwa s ASP 26 Ca 0.25 -1.94 -0.27 0.00 0.43 0.00 0.00 52.55 51.01 1xwa s ASP 26 Cb -0.15 -1.92 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 1xwa s ASP 26 CO 0.10 -0.61 0.97 -0.36 -0.17 0.00 0.00 175.17 175.09 1xwa s PHE 27 N 1.26 3.24 0.27 -5.34 0.08 -0.26 -0.45 117.98 116.78 1xwa s PHE 27 Ca 0.07 1.18 0.03 0.00 0.12 0.00 0.00 56.93 58.32 1xwa s PHE 27 Cb -0.24 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.79 1xwa s PHE 27 CO -0.02 -0.59 0.18 -0.59 -0.10 0.00 0.00 175.22 174.09 1xwa s PHE 28 N 3.26 1.49 -0.04 0.36 -0.12 -0.48 -2.32 117.98 120.13 1xwa s PHE 28 Ca 0.41 -1.44 -0.04 0.00 -0.05 0.00 0.00 56.93 55.81 1xwa s PHE 28 Cb -0.14 -0.73 0.01 0.00 -0.63 0.00 0.00 43.02 41.54 1xwa s PHE 28 CO 0.11 -0.64 0.12 0.00 -0.05 0.00 0.00 175.22 174.76 1xwa s ALA 29 N -3.75 -0.29 0.38 1.99 0.00 -1.26 -1.52 121.76 117.30 1xwa s ALA 29 Ca 0.38 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1xwa s ALA 29 Cb 0.05 -0.19 0.74 0.00 0.00 0.00 0.00 23.12 23.72 1xwa s ALA 29 CO 0.18 -0.06 1.99 1.79 0.00 0.00 0.00 175.76 179.66 1xwa h THR 30 N 4.94 1.14 -0.00 0.00 1.35 -2.01 -1.71 112.91 116.63 1xwa h THR 30 Ca -0.25 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1xwa h THR 30 Cb 1.20 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1xwa h THR 30 CO 0.43 0.17 -0.00 -2.67 -0.25 0.00 0.00 175.52 173.20 1xwa n TRP 31 N -4.40 0.00 -3.10 4.73 4.27 -1.26 -4.76 117.44 112.93 1xwa n TRP 31 Ca 0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.21 1xwa n TRP 31 Cb 0.12 -0.07 -0.07 0.00 -1.36 0.00 0.00 31.31 29.94 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 9.73 0.07 1.99 0.00 0.00 -1.86 -2.40 103.07 110.60 1xwa h GLY 33 Ca -0.25 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1xwa h GLY 33 CO 0.90 -0.07 -0.02 -2.55 0.00 0.00 0.00 176.54 174.80 1xwa h PRO 34 N -0.03 0.01 -0.39 4.80 0.11 -1.93 -0.54 132.00 134.02 1xwa h PRO 34 Ca 0.07 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 1xwa h PRO 34 Cb 0.14 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1xwa h PRO 34 CO -0.15 0.03 -0.25 0.00 -0.21 0.00 0.00 178.00 177.42 1xwa h LYS 36 N 0.65 0.60 0.00 0.00 1.57 -0.90 -2.89 116.57 115.61 1xwa h LYS 36 Ca 0.08 -0.37 -0.04 0.00 -1.87 0.00 0.00 60.65 58.45 1xwa h LYS 36 Cb 0.82 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1xwa h LYS 36 CO 0.07 0.98 -0.17 1.98 -0.57 0.00 0.00 179.45 181.74 1xwa h MET 37 N 0.46 0.00 0.00 3.15 4.05 -0.97 -2.72 114.93 118.90 1xwa h MET 37 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1xwa h MET 37 Cb 1.08 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 1xwa h MET 37 CO 0.10 0.17 -0.84 1.51 0.23 0.00 0.00 176.91 178.08 1xwa n ILE 38 N -3.52 0.02 -0.23 1.77 0.13 -0.86 -4.48 119.36 112.20 1xwa n ILE 38 Ca -0.01 -0.04 0.04 0.00 -1.10 0.00 0.00 62.75 61.64 1xwa n ILE 38 Cb 0.32 0.60 0.16 0.00 -0.84 0.00 0.00 39.64 39.89 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 0.09 -0.98 9.51 0.87 -1.26 -2.12 113.55 119.66 1xwa h SER 39 Ca 0.00 0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1xwa h SER 39 Cb 0.54 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 1xwa h SER 39 CO 0.00 0.02 0.64 -0.65 -0.53 0.00 0.00 176.83 176.31 1xwa h PRO 40 N 0.32 1.29 -0.16 2.24 0.11 -1.78 -2.35 132.00 131.67 1xwa h PRO 40 Ca 0.38 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1xwa h PRO 40 Cb 0.61 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1xwa h PRO 40 CO -0.44 0.86 -0.20 -0.22 -0.21 0.00 0.00 178.00 177.78 1xwa h LYS 41 N 1.33 0.27 -0.30 1.05 1.63 -1.69 -2.49 116.57 116.36 1xwa h LYS 41 Ca 0.36 -0.08 -0.16 0.00 -0.85 0.00 0.00 60.65 59.92 1xwa h LYS 41 Cb -0.15 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 1xwa h LYS 41 CO -0.08 0.47 -0.43 -0.07 -3.45 0.00 0.00 179.45 175.89 1xwa h LEU 42 N 0.25 0.91 -0.59 5.20 3.38 -1.14 -1.32 115.31 122.00 1xwa h LEU 42 Ca 0.04 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xwa h LEU 42 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1xwa h LEU 42 CO 0.03 1.24 0.37 0.58 0.09 0.00 0.00 178.44 180.74 1xwa h VAL 43 N 0.60 1.17 -0.24 1.22 2.07 -1.26 0.14 116.25 119.95 1xwa h VAL 43 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1xwa h VAL 43 Cb 1.03 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xwa h VAL 43 CO 0.10 0.17 0.10 -0.08 0.02 0.00 0.00 177.57 177.89 1xwa h GLU 44 N 0.80 0.36 -0.31 1.57 4.81 -1.39 -1.47 114.58 118.95 1xwa h GLU 44 Ca 0.21 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1xwa h GLU 44 Cb -0.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1xwa h GLU 44 CO -0.04 0.39 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.43 1xwa h LEU 45 N 0.25 0.51 -0.48 1.64 3.38 -0.97 0.19 115.31 119.84 1xwa h LEU 45 Ca 0.08 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1xwa h LEU 45 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xwa h LEU 45 CO -0.01 0.68 -0.43 0.77 0.09 0.00 0.00 178.44 179.53 1xwa h SER 46 N 0.49 0.83 -0.01 -0.43 4.64 -0.54 -0.62 113.55 117.90 1xwa h SER 46 Ca 0.09 -0.39 -0.14 0.00 -0.47 0.00 0.00 61.79 60.87 1xwa h SER 46 Cb 0.52 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1xwa h SER 46 CO 0.03 1.14 -0.55 0.71 -0.87 0.00 0.00 176.83 177.29 1xwa h THR 47 N 0.62 1.44 -0.09 2.95 1.35 -1.02 -2.80 112.91 115.37 1xwa h THR 47 Ca 0.04 -2.04 -0.07 0.00 -0.55 0.00 0.00 66.41 63.79 1xwa h THR 47 Cb 1.00 2.59 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 1xwa h THR 47 CO 0.09 0.59 -0.28 -0.61 -0.25 0.00 0.00 175.52 175.06 1xwa h GLN 48 N -0.14 0.16 -0.40 4.72 4.15 -0.65 -3.17 115.11 119.79 1xwa h GLN 48 Ca -0.07 -0.06 -0.18 0.00 0.77 0.00 0.00 58.65 59.12 1xwa h GLN 48 Cb 1.26 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 28.83 1xwa h GLN 48 CO 0.11 0.44 0.00 1.19 -1.93 0.00 0.00 178.83 178.64 1xwa n PHE 49 N -4.15 1.26 -0.68 3.99 3.01 -0.24 -5.03 117.46 115.62 1xwa n PHE 49 Ca -0.01 -1.51 -0.29 0.00 1.01 0.00 0.00 57.45 56.65 1xwa n PHE 49 Cb 0.37 -0.51 0.21 0.00 -0.01 0.00 0.00 39.48 39.54 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 -3.18 0.35 0.00 4.37 0.00 -1.05 -0.50 121.76 121.73 1xwa s ALA 50 Ca 0.45 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1xwa s ALA 50 Cb 0.40 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1xwa s ALA 50 CO 0.02 -3.35 0.00 -0.25 0.00 0.00 0.00 175.76 172.19 1xwa n ASP 51 N -4.59 0.00 -0.00 0.00 10.43 -1.26 -4.39 116.55 116.74 1xwa n ASP 51 Ca 0.06 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.45 1xwa n ASP 51 Cb 0.54 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.46 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 1.80 2.22 -3.99 -2.24 5.03 -1.11 -4.95 115.26 112.02 1xwa n ASN 52 Ca 0.00 -0.28 -0.17 0.00 0.87 0.00 0.00 54.58 55.00 1xwa n ASN 52 Cb 0.00 1.13 -0.15 0.00 -1.02 0.00 0.00 39.78 39.75 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 -1.97 0.55 -0.19 2.41 1.01 0.34 -2.21 120.40 120.35 1xwa s VAL 53 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xwa s VAL 53 Cb 0.04 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 35.98 1xwa s VAL 53 CO 0.21 0.16 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 1xwa s VAL 54 N -0.16 1.99 -0.26 2.92 1.01 -0.33 -4.46 120.40 121.10 1xwa s VAL 54 Ca 0.03 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1xwa s VAL 54 Cb -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1xwa s VAL 54 CO -0.00 0.45 0.17 -0.69 0.00 0.00 0.00 175.10 175.02 1xwa s VAL 55 N 1.30 5.19 -0.16 2.92 1.01 -1.26 -1.09 120.40 128.31 1xwa s VAL 55 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1xwa s VAL 55 Cb -0.14 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1xwa s VAL 55 CO -0.12 0.29 -0.14 -0.76 0.00 0.00 0.00 175.10 174.37 1xwa s LEU 56 N 1.55 2.54 -0.18 3.92 1.02 -0.02 -4.29 118.68 123.22 1xwa s LEU 56 Ca 0.07 -0.44 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 1xwa s LEU 56 Cb -0.15 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.43 1xwa s LEU 56 CO 0.08 0.09 0.20 -0.75 0.02 0.00 0.00 176.35 175.99 1xwa s LYS 57 N 0.80 4.19 -0.24 1.70 2.20 -0.42 -0.07 119.74 127.89 1xwa s LYS 57 Ca -0.05 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 1xwa s LYS 57 Cb -0.15 -3.41 0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1xwa s LYS 57 CO 0.00 0.29 -0.13 0.08 -0.36 0.00 0.00 175.35 175.24 1xwa s VAL 58 N 0.34 2.19 -0.30 4.02 1.01 0.41 -1.68 120.40 126.39 1xwa s VAL 58 Ca 0.12 -1.44 -0.28 0.00 0.00 0.00 0.00 61.98 60.38 1xwa s VAL 58 Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1xwa s VAL 58 CO 0.01 0.11 1.01 -0.62 0.00 0.00 0.00 175.10 175.62 1xwa s ASP 59 N 1.16 6.92 0.44 3.32 -1.08 -1.26 -1.38 116.67 124.77 1xwa s ASP 59 Ca -0.05 1.05 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 1xwa s ASP 59 Cb -0.18 -2.52 0.99 0.00 -1.46 0.00 0.00 42.92 39.75 1xwa s ASP 59 CO -0.07 -0.79 1.88 -0.37 0.52 0.00 0.00 175.17 176.34 1xwa h VAL 60 N 5.65 0.78 0.00 1.11 -1.51 -1.55 0.41 116.25 121.13 1xwa h VAL 60 Ca -0.21 -1.07 -0.13 0.00 -1.23 0.00 0.00 66.70 64.06 1xwa h VAL 60 Cb 1.07 1.66 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 1xwa h VAL 60 CO 0.99 0.25 -0.64 0.44 -1.23 0.00 0.00 177.57 177.39 1xwa h ASP 61 N 0.00 0.00 0.07 4.19 3.32 -1.91 -3.13 116.42 118.96 1xwa h ASP 61 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1xwa h ASP 61 Cb 0.64 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 1xwa h ASP 61 CO 0.03 0.64 -2.29 -0.62 -1.72 0.00 0.00 179.24 175.29 1xwa n GLU 62 N -3.53 0.68 -2.99 3.56 1.02 -1.00 -4.58 120.64 113.80 1xwa n GLU 62 Ca -0.00 0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1xwa n GLU 62 Cb 0.69 -1.56 -0.04 0.00 -0.02 0.00 0.00 31.44 30.51 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 3.20 0.78 -0.86 0.00 5.08 -1.77 -1.74 114.58 119.27 1xwa h GLU 64 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xwa h GLU 64 Cb 0.52 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1xwa h GLU 64 CO 0.84 0.52 0.46 -0.44 -1.00 0.00 0.00 179.01 179.38 1xwa h ASP 65 N 0.80 1.08 -0.25 1.42 3.45 -1.90 -0.90 116.42 120.13 1xwa h ASP 65 Ca 0.46 -0.10 -0.19 0.00 0.43 0.00 0.00 57.03 57.62 1xwa h ASP 65 Cb 0.61 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 1xwa h ASP 65 CO -0.22 0.87 -0.59 0.40 -1.57 0.00 0.00 179.24 178.13 1xwa h ILE 66 N 1.20 1.27 -0.44 0.35 2.04 -1.75 -0.95 117.51 119.24 1xwa h ILE 66 Ca 0.30 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.42 1xwa h ILE 66 Cb 0.04 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1xwa h ILE 66 CO -0.05 0.58 0.22 0.00 0.00 0.00 0.00 178.15 178.91 1xwa h ALA 67 N 0.67 0.55 -0.48 1.87 0.00 -0.99 -1.88 119.26 119.01 1xwa h ALA 67 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xwa h ALA 67 Cb 1.21 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1xwa h ALA 67 CO 0.13 -0.13 0.05 1.98 0.00 0.00 0.00 179.25 181.28 1xwa h MET 68 N 0.45 0.82 -0.96 0.00 1.85 -1.08 -1.98 114.93 114.03 1xwa h MET 68 Ca 0.19 -0.23 0.08 0.00 -0.61 0.00 0.00 59.70 59.12 1xwa h MET 68 Cb 0.09 -0.09 -0.07 0.00 0.43 0.00 0.00 31.60 31.97 1xwa h MET 68 CO -0.13 0.84 0.62 1.49 -0.40 0.00 0.00 176.91 179.33 1xwa h GLU 69 N 0.68 1.03 -0.57 0.39 4.81 -0.74 -1.40 114.58 118.78 1xwa h GLU 69 Ca 0.14 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xwa h GLU 69 Cb 0.43 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1xwa h GLU 69 CO 0.01 0.68 0.00 0.66 -0.73 0.00 0.00 179.01 179.64 1xwa n TYR 70 N -4.52 0.89 -3.75 0.92 4.02 -0.75 -4.95 117.16 109.02 1xwa n TYR 70 Ca 0.15 -0.39 -0.28 0.00 -0.01 0.00 0.00 57.90 57.38 1xwa n TYR 70 Cb 0.23 -0.10 0.03 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.87 -3.42 -4.79 7.72 4.05 -0.53 -4.95 115.26 114.22 1xwa n ASN 71 Ca 0.18 -0.98 -0.39 0.00 0.45 0.00 0.00 54.58 53.84 1xwa n ASN 71 Cb 0.56 -3.43 -0.06 0.00 1.23 0.00 0.00 39.78 38.08 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 -3.62 4.56 0.00 -1.44 -1.09 -0.78 -4.94 121.20 113.89 1xwa s ILE 72 Ca 0.28 1.48 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1xwa s ILE 72 Cb -0.10 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1xwa s ILE 72 CO 0.86 0.52 0.00 -1.54 -1.23 0.00 0.00 174.94 173.55 1xwa n SER 73 N 1.76 0.00 -4.31 3.58 3.41 -1.26 -4.89 113.62 111.91 1xwa n SER 73 Ca -0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.27 1xwa n SER 73 Cb 0.50 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.22 2.85 -0.04 4.04 0.01 -1.26 -5.14 113.70 113.93 1xwa s SER 74 Ca 0.00 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1xwa s SER 74 Cb 0.00 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1xwa s SER 74 CO 0.00 0.16 -0.24 -0.04 0.41 0.00 0.00 173.24 173.53 1xwa s MET 75 N -1.58 2.27 0.47 12.44 -1.94 -1.26 -3.50 119.30 126.20 1xwa s MET 75 Ca 0.10 -0.86 -0.09 0.00 -1.71 0.00 0.00 55.69 53.13 1xwa s MET 75 Cb -0.10 -2.01 -0.05 0.00 2.01 0.00 0.00 34.83 34.69 1xwa s MET 75 CO 0.03 0.42 0.83 -1.25 -0.01 0.00 0.00 175.02 175.04 1xwa s PRO 76 N -0.28 3.67 -0.08 2.03 0.04 -1.26 -4.59 135.00 134.52 1xwa s PRO 76 Ca 0.01 0.43 0.04 0.00 0.04 0.00 0.00 61.00 61.53 1xwa s PRO 76 Cb -0.12 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 1xwa s PRO 76 CO 0.02 -0.20 -0.22 0.99 0.04 0.00 0.00 177.00 177.64 1xwa s THR 77 N -2.65 1.84 -0.20 1.26 2.01 -0.98 0.22 115.64 117.13 1xwa s THR 77 Ca 0.51 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1xwa s THR 77 Cb -0.10 -1.59 -0.01 0.00 0.01 0.00 0.00 72.50 70.80 1xwa s THR 77 CO 0.40 0.51 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.44 1xwa s PHE 78 N 0.24 2.96 -0.17 4.92 0.08 -0.43 -1.10 117.98 124.48 1xwa s PHE 78 Ca -0.13 -0.78 -0.02 0.00 0.12 0.00 0.00 56.93 56.11 1xwa s PHE 78 Cb -0.16 -2.07 -0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1xwa s PHE 78 CO 0.06 -0.43 -0.09 0.08 -0.10 0.00 0.00 175.22 174.75 1xwa s VAL 79 N 1.21 3.28 -0.23 -0.44 1.01 -0.63 -2.34 120.40 122.26 1xwa s VAL 79 Ca 0.03 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1xwa s VAL 79 Cb -0.14 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1xwa s VAL 79 CO -0.01 0.48 0.06 -0.36 0.00 0.00 0.00 175.10 175.27 1xwa s PHE 80 N 0.77 3.11 0.12 5.22 0.40 0.20 -0.69 117.98 127.12 1xwa s PHE 80 Ca -0.03 -0.31 0.11 0.00 -0.60 0.00 0.00 56.93 56.09 1xwa s PHE 80 Cb -0.15 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.16 1xwa s PHE 80 CO 0.01 -0.23 -0.26 -0.51 0.70 0.00 0.00 175.22 174.94 1xwa s LEU 81 N 1.26 2.36 -0.20 -0.37 2.01 -0.23 -0.61 118.68 122.90 1xwa s LEU 81 Ca 0.05 -0.71 -0.06 0.00 0.01 0.00 0.00 54.13 53.42 1xwa s LEU 81 Cb -0.15 -1.27 0.10 0.00 0.01 0.00 0.00 46.19 44.88 1xwa s LEU 81 CO 0.03 0.19 0.40 -0.75 1.01 0.00 0.00 176.35 177.23 1xwa s LYS 82 N -2.00 0.32 -1.40 1.70 2.20 -0.33 -0.43 119.74 119.80 1xwa s LYS 82 Ca 0.14 0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 56.68 1xwa s LYS 82 Cb -0.10 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1xwa s LYS 82 CO 0.06 -0.33 0.47 0.09 -0.36 0.00 0.00 175.35 175.28 1xwa n ASN 83 N 5.38 -0.51 -2.67 1.43 3.02 -1.26 -1.97 115.26 118.68 1xwa n ASN 83 Ca -0.07 -0.98 -0.18 0.00 -0.03 0.00 0.00 54.58 53.32 1xwa n ASN 83 Cb 0.50 -3.20 0.05 0.00 -0.61 0.00 0.00 39.78 36.52 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 -1.91 -0.19 3.02 7.41 0.00 -1.26 -5.02 105.19 107.24 1xwa n GLY 84 Ca -0.30 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.17 -0.19 -0.71 1.61 1.01 -0.83 -5.09 120.40 113.02 1xwa s VAL 85 Ca 0.38 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 62.30 1xwa s VAL 85 Cb -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.83 1xwa s VAL 85 CO 0.47 0.09 1.49 -0.75 0.00 0.00 0.00 175.10 176.39 1xwa s LYS 86 N 1.73 3.01 0.27 2.72 2.20 -1.26 -1.19 119.74 127.23 1xwa s LYS 86 Ca -0.05 -0.00 0.04 0.00 -0.36 0.00 0.00 55.97 55.60 1xwa s LYS 86 Cb -0.11 -4.31 0.39 0.00 -1.51 0.00 0.00 37.83 32.28 1xwa s LYS 86 CO -0.08 -2.37 1.67 -0.24 -0.36 0.00 0.00 175.35 173.97 1xwa h VAL 87 N 6.36 1.31 -1.65 4.02 3.04 -1.20 -3.48 116.25 124.65 1xwa h VAL 87 Ca -0.25 -1.54 0.29 0.00 -1.01 0.00 0.00 66.70 64.19 1xwa h VAL 87 Cb 1.08 1.65 -0.11 0.00 -2.01 0.00 0.00 31.29 31.90 1xwa h VAL 87 CO 1.26 0.47 0.75 -0.70 -1.01 0.00 0.00 177.57 178.34 1xwa s GLU 88 N -4.16 0.57 -0.10 4.17 2.12 -1.16 -5.03 118.70 115.11 1xwa s GLU 88 Ca -0.05 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 1xwa s GLU 88 Cb 0.13 0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.81 1xwa s GLU 88 CO 0.79 -0.26 0.79 -2.00 -0.54 0.00 0.00 175.26 174.04 1xwa s GLU 89 N -2.62 0.89 0.07 4.30 2.12 -1.26 -0.63 118.70 121.57 1xwa s GLU 89 Ca 0.13 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.46 1xwa s GLU 89 Cb 0.03 0.42 0.08 0.00 0.26 0.00 0.00 34.13 34.92 1xwa s GLU 89 CO -0.03 -0.27 0.70 -0.59 -0.54 0.00 0.00 175.26 174.54 1xwa s PHE 90 N -1.07 -0.50 0.12 5.30 -0.71 -0.99 -5.03 117.98 115.09 1xwa s PHE 90 Ca -0.07 0.44 0.08 0.00 -1.04 0.00 0.00 56.93 56.34 1xwa s PHE 90 Cb -0.00 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 1xwa s PHE 90 CO 0.07 -0.72 -0.15 0.00 -1.34 0.00 0.00 175.22 173.08 1xwa s ALA 91 N -3.08 2.77 0.00 1.99 0.00 -1.26 -1.32 121.76 120.86 1xwa s ALA 91 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1xwa s ALA 91 Cb -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1xwa s ALA 91 CO -0.08 0.60 0.00 0.41 0.00 0.00 0.00 175.76 176.69 1xwa n GLY 92 N 0.71 2.84 2.70 0.00 0.00 0.13 -4.86 105.19 106.72 1xwa n GLY 92 Ca -0.15 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 0.38 5.83 -3.34 4.61 0.00 -1.26 -4.70 120.51 122.03 1xwa n ALA 93 Ca 0.00 -3.99 -0.46 0.00 0.00 0.00 0.00 53.44 48.99 1xwa n ALA 93 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 19.45 16.12 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 2.16 6.53 0.22 0.00 3.84 -1.26 -4.93 114.94 121.50 1xwa s ASN 94 Ca 0.48 -2.42 -0.08 0.00 0.21 0.00 0.00 52.86 51.04 1xwa s ASN 94 Cb 0.13 -2.20 0.26 0.00 -0.55 0.00 0.00 41.25 38.90 1xwa s ASN 94 CO -0.06 -0.65 1.83 0.00 -2.79 0.00 0.00 177.10 175.43 1xwa h ALA 95 N 8.09 1.00 -0.47 1.71 0.00 -1.98 0.10 119.26 127.70 1xwa h ALA 95 Ca -0.02 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1xwa h ALA 95 Cb 1.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xwa h ALA 95 CO 0.84 0.17 -0.24 -0.22 0.00 0.00 0.00 179.25 179.80 1xwa h LYS 96 N 0.82 0.99 -0.43 0.00 3.11 -1.99 -1.69 116.57 117.38 1xwa h LYS 96 Ca 0.32 -0.44 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 1xwa h LYS 96 Cb 0.14 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 1xwa h LYS 96 CO -0.16 1.11 0.07 -0.09 -2.81 0.00 0.00 179.45 177.57 1xwa h ARG 97 N 0.84 0.70 -0.33 1.90 2.43 -1.86 -1.08 114.38 116.98 1xwa h ARG 97 Ca 0.10 -0.19 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1xwa h ARG 97 Cb 0.82 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 1xwa h ARG 97 CO 0.07 0.74 -0.05 1.25 -1.51 0.00 0.00 179.97 180.46 1xwa h LEU 98 N 0.56 -0.25 -0.96 3.80 5.85 -0.63 -1.53 115.31 122.15 1xwa h LEU 98 Ca 0.13 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1xwa h LEU 98 Cb 0.37 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1xwa h LEU 98 CO 0.01 -0.08 0.03 -0.08 -0.34 0.00 0.00 178.44 177.97 1xwa h GLU 99 N 0.03 0.78 -0.30 1.25 4.81 -1.11 -2.83 114.58 117.21 1xwa h GLU 99 Ca 0.16 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xwa h GLU 99 Cb 0.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1xwa h GLU 99 CO -0.32 0.78 0.15 -0.44 -0.73 0.00 0.00 179.01 178.44 1xwa h ASP 100 N 0.74 0.21 -0.35 1.04 3.45 -0.40 -0.82 116.42 120.30 1xwa h ASP 100 Ca 0.15 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1xwa h ASP 100 Cb 0.41 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 1xwa h ASP 100 CO 0.01 0.16 0.23 0.58 -1.57 0.00 0.00 179.24 178.65 1xwa h VAL 101 N 0.31 1.10 0.40 -1.35 2.07 -1.16 -1.31 116.25 116.30 1xwa h VAL 101 Ca 0.13 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1xwa h VAL 101 Cb 0.05 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1xwa h VAL 101 CO -0.09 0.09 -0.19 0.40 0.02 0.00 0.00 177.57 177.80 1xwa h ILE 102 N 0.47 0.61 -0.53 4.57 2.04 -1.26 -1.64 117.51 121.77 1xwa h ILE 102 Ca 0.13 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1xwa h ILE 102 Cb -0.04 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1xwa h ILE 102 CO -0.03 0.00 0.35 0.11 0.00 0.00 0.00 178.15 178.59 1xwa h LYS 103 N -0.54 0.65 0.00 2.37 1.57 -1.08 0.33 116.57 119.87 1xwa h LYS 103 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xwa h LYS 103 Cb 0.41 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xwa h LYS 103 CO 0.09 0.43 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 1xwa h ALA 104 N 1.68 1.00 0.00 3.86 0.00 -1.01 -3.26 119.26 121.52 1xwa h ALA 104 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xwa h ALA 104 Cb -0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xwa h ALA 104 CO -0.05 0.00 -0.01 0.09 0.00 0.00 0.00 179.25 179.28 1xwa n ASN 105 N -2.61 1.73 0.00 0.00 4.13 -0.63 -5.08 115.26 112.79 1xwa n ASN 105 Ca 0.04 -1.98 0.15 0.00 1.68 0.00 0.00 54.58 54.47 1xwa n ASN 105 Cb 0.43 -0.05 0.91 0.00 -1.54 0.00 0.00 39.78 39.53 1xwa n ASN 105 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54