#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr n ASN 3 N 0.00 0.00 -1.32 1.61 2.04 -1.26 -5.08 115.26 111.25 1xnr n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1xnr n ASN 3 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1xnr n ASN 3 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1xnr n LYS 4 N 0.00 0.00 0.00 -3.83 4.76 -1.26 -5.00 118.16 112.83 1xnr n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1xnr n LYS 4 Cb 0.00 -0.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.80 1xnr n LYS 4 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1xnr n ILE 5 N 1.52 0.00 -3.48 -0.18 -6.64 -1.26 -5.03 119.36 104.29 1xnr n ILE 5 Ca 0.00 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.75 1xnr n ILE 5 Cb 0.00 0.00 -0.13 0.00 -1.44 0.00 0.00 39.64 38.07 1xnr n ILE 5 CO 0.00 0.00 0.00 -2.28 -1.77 0.00 0.00 176.55 172.50 1xnr s HIS 6 N 0.00 -0.06 0.60 4.28 5.65 -1.26 -5.02 115.29 119.47 1xnr s HIS 6 Ca 0.00 -0.50 0.18 0.00 0.25 0.00 0.00 55.06 54.99 1xnr s HIS 6 Cb 0.00 -0.67 0.61 0.00 -1.18 0.00 0.00 32.58 31.34 1xnr s HIS 6 CO 0.00 -0.85 1.15 -0.35 -0.65 0.00 0.00 174.74 174.04 1xnr n PRO 7 N 5.28 0.02 -0.02 2.88 -0.04 -1.26 -0.74 135.00 141.12 1xnr n PRO 7 Ca -0.04 0.96 -0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1xnr n PRO 7 Cb 0.44 -2.44 -0.00 0.00 -0.04 0.00 0.00 33.50 31.46 1xnr n PRO 7 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1xnr h ILE 8 N 0.00 0.00 -0.58 0.52 2.04 -1.96 -3.14 117.51 114.40 1xnr h ILE 8 Ca 0.33 -0.40 0.17 0.00 1.00 0.00 0.00 64.86 65.96 1xnr h ILE 8 Cb 2.55 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1xnr h ILE 8 CO -0.00 0.00 0.56 1.23 0.00 0.00 0.00 178.15 179.93 1xnr h GLY 9 N -0.40 0.00 1.53 5.37 0.00 -1.46 1.01 103.07 109.12 1xnr h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xnr h GLY 9 CO 0.00 0.00 -0.07 0.33 0.00 0.00 0.00 176.54 176.80 1xnr n PHE 10 N -3.80 0.00 0.00 5.60 7.35 0.08 -3.98 117.46 122.72 1xnr n PHE 10 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1xnr n PHE 10 Cb 0.78 -0.34 0.00 0.00 0.35 0.00 0.00 39.48 40.27 1xnr n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1xnr n ARG 11 N -1.32 5.56 -0.14 -4.13 1.74 0.34 -4.84 116.66 113.86 1xnr n ARG 11 Ca 0.11 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.23 1xnr n ARG 11 Cb 0.29 -0.56 0.09 0.00 -1.02 0.00 0.00 32.46 31.26 1xnr n ARG 11 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xnr n LEU 12 N -1.04 -0.09 0.19 0.55 4.77 -0.48 0.20 117.00 121.09 1xnr n LEU 12 Ca 0.00 0.69 0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1xnr n LEU 12 Cb 0.00 -0.23 0.65 0.00 -2.33 0.00 0.00 43.42 41.51 1xnr n LEU 12 CO 0.00 -0.68 0.91 1.23 -1.33 0.00 0.00 177.39 177.51 1xnr h GLY 13 N 0.00 0.00 -1.72 -0.72 0.00 -1.89 -3.38 103.07 95.36 1xnr h GLY 13 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.40 1xnr h GLY 13 CO -0.40 0.00 -0.07 -0.42 0.00 0.00 0.00 176.54 175.65 1xnr s ILE 14 N -3.56 0.00 -0.44 2.60 -1.09 0.53 -4.93 121.20 114.31 1xnr s ILE 14 Ca 0.00 -1.41 -0.05 0.00 -2.23 0.00 0.00 60.65 56.96 1xnr s ILE 14 Cb 0.09 -2.56 0.05 0.00 -1.58 0.00 0.00 42.46 38.45 1xnr s ILE 14 CO 0.34 0.00 0.12 0.35 -1.23 0.00 0.00 174.94 174.52 1xnr n THR 15 N -0.50 -0.04 0.00 2.92 -2.24 -1.26 -4.60 114.28 108.56 1xnr n THR 15 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1xnr n THR 15 Cb 0.61 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1xnr n THR 15 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xnr n ARG 16 N -1.44 0.00 -4.31 -0.78 3.00 -1.26 -4.61 116.66 107.26 1xnr n ARG 16 Ca 0.01 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.69 1xnr n ARG 16 Cb 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.48 1xnr n ARG 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xnr s ASP 17 N 0.00 2.22 1.27 6.15 1.01 -1.26 -4.36 116.67 121.70 1xnr s ASP 17 Ca 0.00 -1.04 -0.17 0.00 0.71 0.00 0.00 52.55 52.04 1xnr s ASP 17 Cb 0.00 -0.08 0.30 0.00 1.01 0.00 0.00 42.92 44.15 1xnr s ASP 17 CO 0.00 -0.27 0.78 0.79 0.21 0.00 0.00 175.17 176.68 1xnr n TRP 18 N -0.32 -2.26 -1.25 4.23 8.01 -1.26 -4.93 117.44 119.65 1xnr n TRP 18 Ca -0.08 -0.34 0.02 0.00 -1.31 0.00 0.00 57.50 55.78 1xnr n TRP 18 Cb 0.61 -1.53 0.22 0.00 -2.01 0.00 0.00 31.31 28.59 1xnr n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 1xnr n GLU 19 N -4.68 2.17 -3.12 -0.99 2.13 -1.26 -4.82 120.64 110.07 1xnr n GLU 19 Ca 0.06 -3.01 0.05 0.00 0.66 0.00 0.00 57.16 54.93 1xnr n GLU 19 Cb 0.56 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1xnr n GLU 19 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1xnr s SER 20 N -2.37 -0.20 0.27 4.31 0.01 -1.26 -3.46 113.70 111.00 1xnr s SER 20 Ca 0.42 0.02 0.23 0.00 1.31 0.00 0.00 55.95 57.92 1xnr s SER 20 Cb 0.37 1.07 0.10 0.00 0.21 0.00 0.00 66.02 67.77 1xnr s SER 20 CO 0.03 -0.04 1.21 0.03 0.41 0.00 0.00 173.24 174.88 1xnr h ARG 21 N 7.00 0.00 -6.16 12.44 -0.00 -1.74 -3.48 114.38 122.44 1xnr h ARG 21 Ca -0.10 0.00 -0.73 0.00 -0.50 0.00 0.00 59.98 58.65 1xnr h ARG 21 Cb 1.18 0.00 0.02 0.00 0.00 0.00 0.00 29.97 31.16 1xnr h ARG 21 CO -0.14 0.01 0.89 -2.67 0.00 0.00 0.00 179.97 178.06 1xnr n TRP 22 N -2.81 2.04 -3.35 3.04 4.27 -1.26 -4.90 117.44 114.48 1xnr n TRP 22 Ca 0.01 0.51 -0.37 0.00 -3.89 0.00 0.00 57.50 53.76 1xnr n TRP 22 Cb 0.55 -2.46 -0.06 0.00 -1.36 0.00 0.00 31.31 27.98 1xnr n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1xnr s TYR 23 N 3.39 3.69 0.04 -2.67 6.04 -1.26 -4.93 117.35 121.65 1xnr s TYR 23 Ca 0.97 1.13 0.00 0.00 0.04 0.00 0.00 57.07 59.21 1xnr s TYR 23 Cb -1.04 -2.40 -0.03 0.00 -1.04 0.00 0.00 41.96 37.45 1xnr s TYR 23 CO 0.64 0.51 -0.04 0.00 -1.54 0.00 0.00 175.55 175.12 1xnr s ALA 24 N -1.29 0.40 0.65 3.97 0.00 -1.26 -4.86 121.76 119.36 1xnr s ALA 24 Ca 0.33 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1xnr s ALA 24 Cb -0.17 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1xnr s ALA 24 CO 0.18 -0.20 1.04 0.20 0.00 0.00 0.00 175.76 176.98 1xnr s GLY 25 N -2.05 1.68 0.00 0.00 0.00 -1.26 -4.70 107.32 100.98 1xnr s GLY 25 Ca -0.06 -0.00 0.01 0.00 0.00 0.00 0.00 44.72 44.67 1xnr s GLY 25 CO -0.04 0.29 0.45 0.58 0.00 0.00 0.00 173.10 174.37 1xnr n LYS 26 N -2.87 0.04 -0.09 2.90 -0.00 -1.26 -1.13 118.16 115.76 1xnr n LYS 26 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.30 1xnr n LYS 26 Cb 0.54 -1.38 -0.14 0.00 -0.00 0.00 0.00 35.03 34.05 1xnr n LYS 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1xnr n LYS 27 N -0.88 1.05 -0.00 -1.58 5.02 -1.26 -4.67 118.16 115.85 1xnr n LYS 27 Ca 0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xnr n LYS 27 Cb 0.00 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1xnr n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xnr n GLN 28 N -2.64 6.67 -0.32 1.97 10.64 -0.70 -4.75 117.38 128.24 1xnr n GLN 28 Ca -0.28 -0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.03 1xnr n GLN 28 Cb 1.06 -0.55 0.29 0.00 -0.86 0.00 0.00 30.24 30.18 1xnr n GLN 28 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 1xnr h TYR 29 N 0.00 0.06 0.60 2.61 -0.00 -1.40 0.45 116.97 119.29 1xnr h TYR 29 Ca 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 58.73 58.77 1xnr h TYR 29 Cb 0.02 0.13 0.00 0.00 -0.00 0.00 0.00 36.73 36.88 1xnr h TYR 29 CO 0.00 -0.38 -0.31 0.07 -0.00 0.00 0.00 178.16 177.54 1xnr h ARG 30 N 0.05 -0.81 0.00 1.82 0.11 -1.85 -2.45 114.38 111.24 1xnr h ARG 30 Ca 0.58 0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.71 1xnr h ARG 30 Cb 1.21 0.18 -0.00 0.00 1.11 0.00 0.00 29.97 32.47 1xnr h ARG 30 CO -0.84 -0.54 -0.03 1.12 0.10 0.00 0.00 179.97 179.77 1xnr h HIS 31 N -0.84 0.00 -0.07 4.08 2.07 -1.74 -2.05 115.15 116.60 1xnr h HIS 31 Ca -0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 1xnr h HIS 31 Cb 0.66 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.64 1xnr h HIS 31 CO -0.05 0.03 0.00 -0.11 -3.07 0.00 0.00 177.93 174.73 1xnr n LEU 32 N -3.11 0.35 -0.02 6.12 0.00 0.15 -3.09 117.00 117.40 1xnr n LEU 32 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 56.01 55.83 1xnr n LEU 32 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 43.42 43.85 1xnr n LEU 32 CO 0.33 0.09 -0.64 -0.11 0.00 0.00 0.00 177.39 177.05 1xnr n LEU 33 N -0.32 1.70 0.04 -1.96 7.94 -0.86 -4.38 117.00 119.17 1xnr n LEU 33 Ca 0.03 0.01 0.20 0.00 -1.11 0.00 0.00 56.01 55.14 1xnr n LEU 33 Cb 0.06 -0.14 0.72 0.00 0.53 0.00 0.00 43.42 44.59 1xnr n LEU 33 CO 0.02 0.34 1.18 0.25 -1.11 0.00 0.00 177.39 178.07 1xnr h LEU 34 N -0.08 0.00 0.55 -1.96 6.46 -1.37 0.54 115.31 119.46 1xnr h LEU 34 Ca -0.10 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.63 1xnr h LEU 34 Cb 1.12 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1xnr h LEU 34 CO -0.04 0.00 -0.26 -0.33 -0.62 0.00 0.00 178.44 177.19 1xnr h GLU 35 N 0.00 -0.71 -1.88 1.25 5.08 -1.79 -0.98 114.58 115.56 1xnr h GLU 35 Ca 0.22 0.05 0.54 0.00 -1.00 0.00 0.00 59.36 59.17 1xnr h GLU 35 Cb 0.94 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.28 1xnr h GLU 35 CO -0.00 -0.48 1.39 -0.44 -1.00 0.00 0.00 179.01 178.49 1xnr h ASP 36 N -1.05 0.00 0.00 1.42 3.32 -1.14 0.56 116.42 119.52 1xnr h ASP 36 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xnr h ASP 36 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xnr h ASP 36 CO 0.12 0.00 -0.00 1.56 -1.72 0.00 0.00 179.24 179.20 1xnr h GLN 37 N 0.00 0.00 -0.81 3.56 1.08 -0.96 -2.84 115.11 115.14 1xnr h GLN 37 Ca 0.89 0.00 0.23 0.00 -1.45 0.00 0.00 58.65 58.33 1xnr h GLN 37 Cb 3.67 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 31.07 1xnr h GLN 37 CO -0.01 0.00 0.80 0.00 -0.95 0.00 0.00 178.83 178.67 1xnr h ARG 38 N -0.46 0.00 0.70 1.46 3.08 0.33 1.74 114.38 121.22 1xnr h ARG 38 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xnr h ARG 38 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xnr h ARG 38 CO 0.00 0.00 -0.33 0.82 -1.07 0.00 0.00 179.97 179.39 1xnr h ILE 39 N 0.00 0.22 -0.57 2.04 2.04 -0.03 0.16 117.51 121.36 1xnr h ILE 39 Ca 0.38 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.94 1xnr h ILE 39 Cb 1.97 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1xnr h ILE 39 CO -0.00 0.02 -0.08 0.03 0.00 0.00 0.00 178.15 178.12 1xnr h ARG 40 N -1.09 1.06 -0.12 2.37 3.08 0.91 0.26 114.38 120.85 1xnr h ARG 40 Ca -0.10 -0.38 0.05 0.00 0.07 0.00 0.00 59.98 59.62 1xnr h ARG 40 Cb 0.75 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 1xnr h ARG 40 CO 0.16 1.08 -0.33 0.78 -1.07 0.00 0.00 179.97 180.58 1xnr h GLY 41 N 0.95 -0.48 0.56 0.04 0.00 0.23 3.17 103.07 107.53 1xnr h GLY 41 Ca 0.15 0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xnr h GLY 41 CO 0.04 -0.22 -0.00 -2.00 0.00 0.00 0.00 176.54 174.36 1xnr h LEU 42 N -0.42 -0.00 -0.57 3.11 7.12 -0.62 -3.01 115.31 120.92 1xnr h LEU 42 Ca 0.09 -0.44 -0.08 0.00 0.13 0.00 0.00 57.88 57.58 1xnr h LEU 42 Cb 0.56 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.67 1xnr h LEU 42 CO -0.35 0.44 0.04 0.25 -0.13 0.00 0.00 178.44 178.69 1xnr h LEU 43 N -0.44 0.95 -1.09 2.25 6.46 -0.09 -2.94 115.31 120.41 1xnr h LEU 43 Ca -0.00 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.38 1xnr h LEU 43 Cb 0.44 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1xnr h LEU 43 CO 0.00 1.00 -0.34 -0.33 -0.62 0.00 0.00 178.44 178.15 1xnr h GLU 44 N 0.87 0.21 -0.01 1.25 5.08 0.57 -2.23 114.58 120.32 1xnr h GLU 44 Ca 0.17 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1xnr h GLU 44 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xnr h GLU 44 CO 0.02 0.53 -0.01 1.63 -1.00 0.00 0.00 179.01 180.18 1xnr n LYS 45 N -4.09 1.30 -0.08 2.33 5.02 -1.14 -4.03 118.16 117.48 1xnr n LYS 45 Ca -0.01 -0.49 -0.17 0.00 -2.02 0.00 0.00 58.31 55.61 1xnr n LYS 45 Cb 0.42 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1xnr n LYS 45 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xnr n GLU 46 N -0.42 0.35 0.00 1.97 -0.58 -1.05 -4.66 120.64 116.25 1xnr n GLU 46 Ca 0.21 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 1xnr n GLU 46 Cb 0.24 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1xnr n GLU 46 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1xnr n LEU 47 N -3.77 2.74 0.16 -4.62 4.32 -0.87 -4.33 117.00 110.64 1xnr n LEU 47 Ca -0.31 -1.37 -0.14 0.00 -0.02 0.00 0.00 56.01 54.17 1xnr n LEU 47 Cb 0.70 -0.50 -0.08 0.00 -1.62 0.00 0.00 43.42 41.92 1xnr n LEU 47 CO 0.03 0.47 0.61 0.22 -1.22 0.00 0.00 177.39 177.49 1xnr h TYR 48 N 0.01 -0.38 -0.80 -1.77 3.20 -1.83 -2.58 116.97 112.82 1xnr h TYR 48 Ca 0.00 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.09 1xnr h TYR 48 Cb 0.93 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1xnr h TYR 48 CO 0.00 -0.08 0.78 0.66 -1.64 0.00 0.00 178.16 177.88 1xnr h SER 49 N -0.67 0.00 0.48 -2.11 4.64 -1.95 1.59 113.55 115.53 1xnr h SER 49 Ca -0.04 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1xnr h SER 49 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1xnr h SER 49 CO 0.07 0.00 -0.86 0.00 -0.87 0.00 0.00 176.83 175.17 1xnr h ALA 50 N 1.19 0.52 -3.03 5.18 0.00 -1.78 -3.48 119.26 117.86 1xnr h ALA 50 Ca 0.38 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xnr h ALA 50 Cb 1.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1xnr h ALA 50 CO -0.00 0.86 -0.00 0.41 0.00 0.00 0.00 179.25 180.52 1xnr n GLY 51 N 0.81 -0.08 3.65 0.00 0.00 0.54 -3.05 105.19 107.08 1xnr n GLY 51 Ca -0.04 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1xnr n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xnr s LEU 52 N -2.22 4.12 0.00 0.99 2.34 -1.24 -2.75 118.68 119.93 1xnr s LEU 52 Ca 0.00 1.03 0.00 0.00 0.06 0.00 0.00 54.13 55.22 1xnr s LEU 52 Cb -0.00 -3.13 0.00 0.00 -0.56 0.00 0.00 46.19 42.50 1xnr s LEU 52 CO 0.01 -0.42 0.00 0.00 -1.06 0.00 0.00 176.35 174.87 1xnr n ALA 53 N 5.54 0.00 -1.91 1.48 0.00 -0.55 -4.97 120.51 120.11 1xnr n ALA 53 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 1xnr n ALA 53 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.04 1xnr n ALA 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1xnr s ARG 54 N 0.00 1.78 -0.39 0.00 6.06 -1.26 -4.99 118.95 120.16 1xnr s ARG 54 Ca 0.00 0.02 0.11 0.00 -2.50 0.00 0.00 55.73 53.36 1xnr s ARG 54 Cb 0.00 -1.94 0.39 0.00 0.06 0.00 0.00 34.95 33.46 1xnr s ARG 54 CO 0.00 -1.71 1.14 0.28 -2.50 0.00 0.00 175.30 172.52 1xnr n VAL 55 N -3.37 0.26 -1.04 7.11 0.31 -1.26 -3.44 118.33 116.90 1xnr n VAL 55 Ca 0.09 -2.25 -0.36 0.00 -0.01 0.00 0.00 64.34 61.81 1xnr n VAL 55 Cb 0.61 0.86 0.05 0.00 -0.91 0.00 0.00 33.84 34.45 1xnr n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xnr n ASP 56 N -0.20 -4.32 -3.72 4.52 -0.08 -1.24 -4.81 116.55 106.70 1xnr n ASP 56 Ca 0.05 0.34 -0.14 0.00 -1.51 0.00 0.00 54.79 53.53 1xnr n ASP 56 Cb 0.80 -0.91 -0.09 0.00 2.34 0.00 0.00 41.12 43.25 1xnr n ASP 56 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1xnr s ILE 57 N -2.06 0.01 0.05 5.18 1.01 -1.22 -2.95 121.20 121.21 1xnr s ILE 57 Ca 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.05 1xnr s ILE 57 Cb -0.26 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1xnr s ILE 57 CO 0.74 -0.04 -0.03 -1.61 0.00 0.00 0.00 174.94 174.00 1xnr s GLU 58 N -0.11 0.57 0.37 2.79 2.02 -1.26 -2.10 118.70 120.98 1xnr s GLU 58 Ca -0.03 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.74 1xnr s GLU 58 Cb -0.03 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.41 1xnr s GLU 58 CO 0.02 -0.10 0.65 1.03 0.02 0.00 0.00 175.26 176.88 1xnr s ARG 59 N -3.53 2.11 0.00 1.61 0.52 -1.26 -2.40 118.95 116.00 1xnr s ARG 59 Ca 0.04 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.64 1xnr s ARG 59 Cb 0.05 0.54 0.00 0.00 0.52 0.00 0.00 34.95 36.06 1xnr s ARG 59 CO -0.08 -0.94 0.00 0.00 0.02 0.00 0.00 175.30 174.30 1xnr n ALA 60 N -0.55 0.00 -3.15 2.13 0.00 -1.26 -4.69 120.51 112.99 1xnr n ALA 60 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1xnr n ALA 60 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.05 1xnr n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr s ALA 61 N -0.67 -4.04 0.00 0.00 0.00 -1.26 -5.01 121.76 110.78 1xnr s ALA 61 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1xnr s ALA 61 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1xnr s ALA 61 CO 0.00 -1.96 0.00 -0.25 0.00 0.00 0.00 175.76 173.55 1xnr n ASP 62 N 5.18 0.00 -4.51 0.00 8.00 -1.26 -4.82 116.55 119.14 1xnr n ASP 62 Ca 0.06 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.18 1xnr n ASP 62 Cb 0.57 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.71 1xnr n ASP 62 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xnr n ASN 63 N 0.04 -0.57 -3.67 -2.24 3.02 -1.26 -4.79 115.26 105.78 1xnr n ASN 63 Ca 0.00 0.74 -0.12 0.00 -0.03 0.00 0.00 54.58 55.18 1xnr n ASN 63 Cb 0.00 -1.23 -0.12 0.00 -0.61 0.00 0.00 39.78 37.82 1xnr n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xnr s VAL 64 N -1.68 -0.39 0.06 2.41 1.01 -1.26 -4.03 120.40 116.52 1xnr s VAL 64 Ca 0.71 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.69 1xnr s VAL 64 Cb -0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 1xnr s VAL 64 CO 0.52 0.09 1.33 0.00 0.00 0.00 0.00 175.10 177.04 1xnr h ALA 65 N 8.00 -0.92 -5.22 5.51 0.00 -1.75 -2.57 119.26 122.30 1xnr h ALA 65 Ca -0.20 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 1xnr h ALA 65 Cb 1.12 0.62 0.16 0.00 0.00 0.00 0.00 17.79 19.70 1xnr h ALA 65 CO 0.18 -0.96 -0.72 0.28 0.00 0.00 0.00 179.25 178.02 1xnr n VAL 66 N -4.23 -6.69 -1.01 0.00 0.31 -1.26 -3.77 118.33 101.69 1xnr n VAL 66 Ca -0.06 -0.79 -0.32 0.00 -0.01 0.00 0.00 64.34 63.16 1xnr n VAL 66 Cb 0.26 -5.37 0.13 0.00 -0.91 0.00 0.00 33.84 27.96 1xnr n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xnr s THR 67 N -3.33 2.29 -0.34 2.52 2.01 -1.15 -3.68 115.64 113.96 1xnr s THR 67 Ca 0.18 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.32 1xnr s THR 67 Cb -0.02 -2.38 0.16 0.00 0.01 0.00 0.00 72.50 70.27 1xnr s THR 67 CO 0.65 -0.11 0.40 -0.69 -0.69 0.00 0.00 174.62 174.19 1xnr s VAL 68 N -2.46 -0.51 -0.12 3.82 1.01 -1.19 -3.73 120.40 117.22 1xnr s VAL 68 Ca 0.69 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1xnr s VAL 68 Cb -0.24 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1xnr s VAL 68 CO 0.54 -0.41 1.06 -1.00 0.00 0.00 0.00 175.10 175.28 1xnr s HIS 69 N 1.98 3.39 0.23 5.22 3.76 -1.22 -2.86 115.29 125.79 1xnr s HIS 69 Ca 0.13 1.47 0.02 0.00 -0.15 0.00 0.00 55.06 56.53 1xnr s HIS 69 Cb -0.13 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.25 1xnr s HIS 69 CO -0.17 -0.54 0.06 0.08 -0.85 0.00 0.00 174.74 173.32 1xnr s VAL 70 N 2.32 0.64 -0.05 -0.90 1.01 -1.05 -1.48 120.40 120.89 1xnr s VAL 70 Ca 0.49 -2.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.37 1xnr s VAL 70 Cb -0.19 -2.46 -0.31 0.00 0.00 0.00 0.00 36.38 33.42 1xnr s VAL 70 CO 0.17 -0.17 0.68 0.00 0.00 0.00 0.00 175.10 175.77 1xnr h ALA 71 N 2.48 0.16 -2.85 5.51 0.00 -1.54 0.53 119.26 123.55 1xnr h ALA 71 Ca -0.38 -1.14 -0.61 0.00 0.00 0.00 0.00 54.91 52.77 1xnr h ALA 71 Cb 1.23 0.45 -0.41 0.00 0.00 0.00 0.00 17.79 19.06 1xnr h ALA 71 CO 0.62 1.03 -0.63 0.36 0.00 0.00 0.00 179.25 180.63 1xnr n LYS 72 N -3.58 1.72 -0.38 0.00 2.85 -1.17 -4.75 118.16 112.84 1xnr n LYS 72 Ca -0.24 -4.34 0.35 0.00 -1.05 0.00 0.00 58.31 53.02 1xnr n LYS 72 Cb 1.07 -2.19 0.61 0.00 -0.65 0.00 0.00 35.03 33.87 1xnr n LYS 72 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xnr n PRO 73 N 1.89 -0.05 0.00 -1.58 -0.04 -1.26 -2.90 135.00 131.06 1xnr n PRO 73 Ca 0.23 1.25 0.00 0.00 -0.04 0.00 0.00 63.50 64.94 1xnr n PRO 73 Cb 0.38 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1xnr n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xnr n GLY 74 N -1.38 -1.55 0.40 0.55 0.00 -1.26 0.18 105.19 102.13 1xnr n GLY 74 Ca 0.37 0.33 0.32 0.00 0.00 0.00 0.00 46.02 47.04 1xnr n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xnr n VAL 75 N -0.57 -0.07 -0.04 1.61 0.31 -1.14 0.23 118.33 118.65 1xnr n VAL 75 Ca 0.00 1.08 -0.13 0.00 -0.01 0.00 0.00 64.34 65.28 1xnr n VAL 75 Cb 0.00 -1.79 -0.08 0.00 -0.91 0.00 0.00 33.84 31.07 1xnr n VAL 75 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1xnr h VAL 76 N 0.00 1.37 0.40 2.52 2.07 -0.45 -3.36 116.25 118.78 1xnr h VAL 76 Ca 0.61 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1xnr h VAL 76 Cb 2.24 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 1xnr h VAL 76 CO -0.14 0.37 -0.19 0.40 0.02 0.00 0.00 177.57 178.03 1xnr h ILE 77 N -0.15 0.30 0.00 4.57 1.08 0.35 -1.48 117.51 122.18 1xnr h ILE 77 Ca 0.01 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1xnr h ILE 77 Cb 0.65 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1xnr h ILE 77 CO 0.03 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.16 1xnr n GLY 78 N 0.12 -1.84 3.56 5.37 0.00 -0.78 0.12 105.19 111.73 1xnr n GLY 78 Ca -0.08 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 1xnr n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xnr s ARG 79 N 0.00 3.05 0.00 1.61 1.70 -1.26 -3.69 118.95 120.36 1xnr s ARG 79 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 54.85 1xnr s ARG 79 Cb 0.00 -4.88 0.00 0.00 -0.57 0.00 0.00 34.95 29.50 1xnr s ARG 79 CO 0.00 -2.63 0.00 0.41 -1.08 0.00 0.00 175.30 172.00 1xnr n GLY 80 N 6.38 2.88 0.00 3.88 0.00 -1.26 -3.56 105.19 113.51 1xnr n GLY 80 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1xnr n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 81 N -1.99 0.87 0.13 -0.02 0.00 -1.24 -5.07 105.19 97.87 1xnr n GLY 81 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xnr n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xnr n GLU 82 N 0.00 0.71 0.53 1.61 0.00 -0.93 -4.11 120.64 118.45 1xnr n GLU 82 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 57.16 57.30 1xnr n GLU 82 Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 31.44 29.62 1xnr n GLU 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1xnr h ARG 83 N -0.21 -1.30 0.00 5.31 9.65 -0.56 -2.13 114.38 125.14 1xnr h ARG 83 Ca -0.41 0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1xnr h ARG 83 Cb 1.85 0.29 0.00 0.00 -1.39 0.00 0.00 29.97 30.72 1xnr h ARG 83 CO 0.01 -0.86 0.20 1.51 2.80 0.00 0.00 179.97 183.63 1xnr n ILE 84 N -5.64 0.55 -0.11 1.20 3.06 -0.13 -0.45 119.36 117.84 1xnr n ILE 84 Ca -0.17 0.34 -0.21 0.00 -2.50 0.00 0.00 62.75 60.21 1xnr n ILE 84 Cb 0.53 -1.34 -0.08 0.00 0.54 0.00 0.00 39.64 39.29 1xnr n ILE 84 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1xnr n ARG 85 N -1.04 0.56 -0.36 9.51 3.00 -0.83 -3.25 116.66 124.25 1xnr n ARG 85 Ca 0.00 0.33 0.03 0.00 -0.00 0.00 0.00 57.85 58.21 1xnr n ARG 85 Cb 0.20 -1.54 0.18 0.00 0.00 0.00 0.00 32.46 31.30 1xnr n ARG 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xnr h VAL 86 N -1.00 1.06 -0.45 5.15 2.07 -0.46 0.30 116.25 122.92 1xnr h VAL 86 Ca -0.41 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 66.58 1xnr h VAL 86 Cb 1.31 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1xnr h VAL 86 CO -0.25 0.21 -0.29 -0.07 0.02 0.00 0.00 177.57 177.19 1xnr h LEU 87 N 1.13 1.02 -1.54 2.57 3.38 -1.47 0.98 115.31 121.38 1xnr h LEU 87 Ca 0.44 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xnr h LEU 87 Cb 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xnr h LEU 87 CO -0.19 1.23 0.00 -0.09 0.09 0.00 0.00 178.44 179.48 1xnr h ARG 88 N 0.83 0.00 0.05 1.13 2.43 -1.20 -1.76 114.38 115.86 1xnr h ARG 88 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1xnr h ARG 88 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1xnr h ARG 88 CO 0.08 0.00 -0.03 1.49 -1.51 0.00 0.00 179.97 180.00 1xnr h GLU 89 N 0.00 -0.07 -0.36 0.20 4.57 0.89 -3.26 114.58 116.55 1xnr h GLU 89 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1xnr h GLU 89 Cb 0.34 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1xnr h GLU 89 CO 0.00 0.34 0.41 0.93 -1.18 0.00 0.00 179.01 179.51 1xnr h GLU 90 N -0.98 0.00 0.00 1.92 5.08 -0.42 -2.36 114.58 117.83 1xnr h GLU 90 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xnr h GLU 90 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1xnr h GLU 90 CO 0.01 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.91 1xnr n LEU 91 N -3.69 0.00 0.18 1.33 0.00 -0.70 -2.53 117.00 111.59 1xnr n LEU 91 Ca 0.06 0.34 0.13 0.00 0.00 0.00 0.00 56.01 56.53 1xnr n LEU 91 Cb 0.57 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.63 1xnr n LEU 91 CO 0.27 0.00 0.88 0.00 0.00 0.00 0.00 177.39 178.53 1xnr h ALA 92 N -2.04 1.00 -0.46 1.96 0.00 -1.66 0.26 119.26 118.31 1xnr h ALA 92 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xnr h ALA 92 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xnr h ALA 92 CO 0.00 0.00 0.10 -0.22 0.00 0.00 0.00 179.25 179.13 1xnr h LYS 93 N 0.00 0.70 0.00 0.00 3.11 -1.41 0.14 116.57 119.12 1xnr h LYS 93 Ca 0.00 -0.14 -0.41 0.00 -2.81 0.00 0.00 60.65 57.29 1xnr h LYS 93 Cb 0.07 -0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 31.13 1xnr h LYS 93 CO 0.00 0.65 -2.33 1.28 -2.81 0.00 0.00 179.45 176.24 1xnr n LEU 94 N -4.29 1.95 0.19 5.20 4.77 0.12 -4.69 117.00 120.26 1xnr n LEU 94 Ca 0.03 0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1xnr n LEU 94 Cb 0.22 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1xnr n LEU 94 CO 0.39 0.48 0.33 0.71 -1.33 0.00 0.00 177.39 177.97 1xnr h THR 95 N -1.00 0.24 -1.05 -5.08 1.35 -0.70 -3.49 112.91 103.19 1xnr h THR 95 Ca -0.62 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1xnr h THR 95 Cb 1.54 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1xnr h THR 95 CO -0.38 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.56 1xnr n GLY 96 N 0.13 0.60 0.00 5.82 0.00 0.48 -4.98 105.19 107.23 1xnr n GLY 96 Ca -0.08 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1xnr n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xnr n LYS 97 N -0.52 0.69 -3.16 1.61 4.76 -1.26 -5.05 118.16 115.23 1xnr n LYS 97 Ca 0.00 -0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.25 1xnr n LYS 97 Cb 0.30 -0.22 0.02 0.00 -1.84 0.00 0.00 35.03 33.29 1xnr n LYS 97 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1xnr n ASN 98 N -0.10 -6.74 -4.26 4.39 3.02 -1.26 -4.31 115.26 106.00 1xnr n ASN 98 Ca 0.00 0.38 -0.21 0.00 -0.03 0.00 0.00 54.58 54.72 1xnr n ASN 98 Cb 0.06 -3.13 -0.12 0.00 -0.61 0.00 0.00 39.78 35.98 1xnr n ASN 98 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xnr s VAL 99 N -1.68 1.53 0.92 2.41 -7.23 -1.26 -4.72 120.40 110.36 1xnr s VAL 99 Ca 0.21 -1.57 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 1xnr s VAL 99 Cb -0.03 -1.48 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 1xnr s VAL 99 CO 0.65 -0.19 -0.13 0.00 -0.31 0.00 0.00 175.10 175.12 1xnr n ALA 100 N 0.93 -3.75 -2.75 1.32 0.00 -0.97 -4.88 120.51 110.42 1xnr n ALA 100 Ca -0.18 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 52.66 1xnr n ALA 100 Cb 0.55 -1.50 0.05 0.00 0.00 0.00 0.00 19.45 18.54 1xnr n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xnr n LEU 101 N 1.06 1.92 -4.00 0.00 0.00 -1.25 -4.36 117.00 110.37 1xnr n LEU 101 Ca 0.03 -3.19 -0.23 0.00 0.00 0.00 0.00 56.01 52.62 1xnr n LEU 101 Cb 0.54 0.38 0.08 0.00 0.00 0.00 0.00 43.42 44.42 1xnr n LEU 101 CO 0.52 1.14 -0.81 0.59 0.00 0.00 0.00 177.39 178.83 1xnr n ASN 102 N -0.60 -2.66 -3.74 1.96 5.03 -1.24 -4.84 115.26 109.17 1xnr n ASN 102 Ca 0.11 -0.13 -0.13 0.00 0.87 0.00 0.00 54.58 55.30 1xnr n ASN 102 Cb 0.82 -0.65 -0.10 0.00 -1.02 0.00 0.00 39.78 38.83 1xnr n ASN 102 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1xnr s VAL 103 N -2.06 0.01 0.23 2.41 1.01 -1.26 -3.17 120.40 117.57 1xnr s VAL 103 Ca 0.31 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.28 1xnr s VAL 103 Cb -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1xnr s VAL 103 CO 0.43 -0.06 -0.18 -1.10 0.00 0.00 0.00 175.10 174.19 1xnr s GLN 104 N -0.17 1.48 -0.18 2.72 -1.52 -1.13 -4.87 119.66 115.97 1xnr s GLN 104 Ca -0.03 -1.64 -0.13 0.00 -1.95 0.00 0.00 55.36 51.60 1xnr s GLN 104 Cb -0.03 -1.44 -0.05 0.00 -0.22 0.00 0.00 33.01 31.27 1xnr s GLN 104 CO 0.02 0.26 0.28 -2.00 -0.25 0.00 0.00 175.29 173.60 1xnr s GLU 105 N -3.45 4.22 -0.82 2.91 2.12 -1.26 -2.53 118.70 119.88 1xnr s GLU 105 Ca 0.25 0.04 -0.20 0.00 0.36 0.00 0.00 54.97 55.43 1xnr s GLU 105 Cb -0.03 -3.46 0.12 0.00 0.26 0.00 0.00 34.13 31.02 1xnr s GLU 105 CO 0.10 0.18 1.02 0.08 -0.54 0.00 0.00 175.26 176.10 1xnr s VAL 106 N 0.66 4.67 0.00 3.70 1.01 0.18 -4.88 120.40 125.74 1xnr s VAL 106 Ca 0.15 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1xnr s VAL 106 Cb -0.13 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1xnr s VAL 106 CO 0.04 -1.43 0.99 0.00 0.00 0.00 0.00 175.10 174.70 1xnr n GLN 107 N 6.71 0.55 0.00 2.72 -0.00 -1.26 -4.36 117.38 121.74 1xnr n GLN 107 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 1xnr n GLN 107 Cb 0.47 -1.23 0.00 0.00 -0.00 0.00 0.00 30.24 29.49 1xnr n GLN 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1xnr n ASN 108 N 1.54 0.00 -0.12 2.61 2.85 -1.26 -5.02 115.26 115.86 1xnr n ASN 108 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1xnr n ASN 108 Cb 0.27 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.29 1xnr n ASN 108 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1xnr n PRO 109 N 0.00 0.78 -0.04 1.20 -0.04 -1.26 -2.73 135.00 132.90 1xnr n PRO 109 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1xnr n PRO 109 Cb 0.00 -1.09 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 1xnr n PRO 109 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xnr n ASN 110 N -0.35 2.04 0.00 3.54 3.02 -1.26 -4.19 115.26 118.06 1xnr n ASN 110 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 1xnr n ASN 110 Cb 0.05 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 1xnr n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xnr n LEU 111 N -0.89 0.44 -4.26 3.41 4.77 -1.11 -4.19 117.00 115.17 1xnr n LEU 111 Ca 0.07 -0.44 -0.44 0.00 -0.03 0.00 0.00 56.01 55.18 1xnr n LEU 111 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 1xnr n LEU 111 CO 0.00 0.11 0.08 -0.55 -1.33 0.00 0.00 177.39 175.71 1xnr s SER 112 N -0.03 6.00 0.17 -1.43 0.15 -1.24 -4.95 113.70 112.38 1xnr s SER 112 Ca 0.00 -1.91 -0.15 0.00 0.70 0.00 0.00 55.95 54.59 1xnr s SER 112 Cb 0.00 -2.12 0.14 0.00 -1.71 0.00 0.00 66.02 62.33 1xnr s SER 112 CO 0.00 -0.77 1.68 0.00 1.20 0.00 0.00 173.24 175.36 1xnr h ALA 113 N 8.61 0.38 -0.79 5.45 0.00 -1.90 -0.03 119.26 130.97 1xnr h ALA 113 Ca -0.24 0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.04 1xnr h ALA 113 Cb 1.08 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1xnr h ALA 113 CO 0.94 -0.41 0.56 -1.35 0.00 0.00 0.00 179.25 179.00 1xnr h PRO 114 N 0.08 0.04 0.12 0.00 0.11 -1.85 0.19 132.00 130.69 1xnr h PRO 114 Ca 0.22 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1xnr h PRO 114 Cb 0.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1xnr h PRO 114 CO -0.39 0.02 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.30 1xnr h LEU 115 N 0.04 -0.14 -0.75 2.35 3.38 -1.40 -2.30 115.31 116.49 1xnr h LEU 115 Ca 0.38 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.48 1xnr h LEU 115 Cb 1.46 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.12 1xnr h LEU 115 CO -0.02 0.21 -0.27 0.52 0.09 0.00 0.00 178.44 178.97 1xnr n VAL 116 N -4.18 -0.38 0.07 1.22 0.31 -0.39 0.11 118.33 115.10 1xnr n VAL 116 Ca -0.02 1.74 -0.08 0.00 -0.01 0.00 0.00 64.34 65.97 1xnr n VAL 116 Cb 0.07 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 30.63 1xnr n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnr h ALA 117 N 1.12 -0.81 -0.97 3.52 0.00 -0.75 -2.04 119.26 119.34 1xnr h ALA 117 Ca 0.28 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.42 1xnr h ALA 117 Cb 0.47 0.62 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 1xnr h ALA 117 CO -0.75 -0.86 0.16 1.96 0.00 0.00 0.00 179.25 179.77 1xnr h GLN 118 N -0.38 0.04 0.47 0.00 4.20 0.14 0.13 115.11 119.70 1xnr h GLN 118 Ca -0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1xnr h GLN 118 Cb 0.37 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 1xnr h GLN 118 CO -0.11 0.03 -0.50 -0.09 -0.67 0.00 0.00 178.83 177.49 1xnr h ARG 119 N 0.04 -0.93 -0.90 1.46 9.65 0.29 0.11 114.38 124.10 1xnr h ARG 119 Ca 0.64 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.64 1xnr h ARG 119 Cb 1.40 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 30.14 1xnr h ARG 119 CO -0.85 -0.62 0.59 0.28 2.80 0.00 0.00 179.97 182.17 1xnr h VAL 120 N -0.97 1.10 -0.96 0.20 2.07 -0.55 0.19 116.25 117.32 1xnr h VAL 120 Ca -0.06 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1xnr h VAL 120 Cb 0.85 -0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1xnr h VAL 120 CO -0.08 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.32 1xnr h ALA 121 N 1.50 1.33 0.65 1.67 0.00 -0.25 -1.87 119.26 122.29 1xnr h ALA 121 Ca 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1xnr h ALA 121 Cb 0.14 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xnr h ALA 121 CO -0.13 0.40 -0.31 0.93 0.00 0.00 0.00 179.25 180.13 1xnr h GLU 122 N 1.12 -0.85 -0.91 0.00 5.08 0.19 -2.79 114.58 116.43 1xnr h GLU 122 Ca 0.41 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 59.02 1xnr h GLU 122 Cb 0.16 0.19 -0.17 0.00 0.50 0.00 0.00 28.75 29.43 1xnr h GLU 122 CO -0.17 -0.56 -0.17 1.96 -1.00 0.00 0.00 179.01 179.06 1xnr h GLN 123 N -0.96 0.01 -0.40 2.33 4.20 -0.88 0.03 115.11 119.43 1xnr h GLN 123 Ca -0.09 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.66 1xnr h GLN 123 Cb 0.67 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1xnr h GLN 123 CO 0.15 0.01 0.18 0.82 -0.67 0.00 0.00 178.83 179.31 1xnr h ILE 124 N 0.01 0.94 0.00 2.54 2.04 -1.32 -0.90 117.51 120.82 1xnr h ILE 124 Ca 0.46 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 66.19 1xnr h ILE 124 Cb 0.75 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1xnr h ILE 124 CO -0.91 0.07 -0.00 -0.33 0.00 0.00 0.00 178.15 176.97 1xnr h GLU 125 N 0.37 0.00 -0.65 2.37 5.08 -0.71 -1.52 114.58 119.52 1xnr h GLU 125 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xnr h GLU 125 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xnr h GLU 125 CO -0.15 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.40 1xnr n ARG 126 N -3.10 3.37 -2.22 2.33 1.74 -0.38 -4.91 116.66 113.49 1xnr n ARG 126 Ca -0.03 -2.22 -0.12 0.00 -0.77 0.00 0.00 57.85 54.72 1xnr n ARG 126 Cb 0.08 -1.86 -0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1xnr n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xnr n ARG 127 N 0.67 -0.96 -2.56 5.56 5.12 -0.57 -5.02 116.66 118.91 1xnr n ARG 127 Ca 0.20 0.58 -0.28 0.00 -1.93 0.00 0.00 57.85 56.42 1xnr n ARG 127 Cb 0.79 -4.75 -0.00 0.00 -1.16 0.00 0.00 32.46 27.34 1xnr n ARG 127 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1xnr s PHE 128 N -2.60 3.57 -0.49 -1.55 5.36 -0.96 -5.01 117.98 116.29 1xnr s PHE 128 Ca 0.00 0.89 -0.28 0.00 -0.96 0.00 0.00 56.93 56.58 1xnr s PHE 128 Cb 0.00 -2.37 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 1xnr s PHE 128 CO 0.00 -0.32 1.11 0.00 -1.46 0.00 0.00 175.22 174.56 1xnr s ALA 129 N -2.77 3.14 0.17 11.12 0.00 -1.26 -4.65 121.76 127.51 1xnr s ALA 129 Ca 0.49 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.64 1xnr s ALA 129 Cb -0.10 -3.88 0.07 0.00 0.00 0.00 0.00 23.12 19.21 1xnr s ALA 129 CO 0.45 -2.30 1.61 0.28 0.00 0.00 0.00 175.76 175.80 1xnr h VAL 130 N 6.20 0.30 -0.78 0.00 2.07 -1.95 0.10 116.25 122.18 1xnr h VAL 130 Ca -0.23 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1xnr h VAL 130 Cb 1.06 0.30 -0.14 0.00 -1.52 0.00 0.00 31.29 31.00 1xnr h VAL 130 CO 1.12 0.00 -0.36 -0.09 0.02 0.00 0.00 177.57 178.26 1xnr h ARG 131 N -0.22 -0.08 0.00 1.57 9.65 -2.00 -2.13 114.38 121.17 1xnr h ARG 131 Ca 0.18 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.06 1xnr h ARG 131 Cb 0.50 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1xnr h ARG 131 CO -0.50 -0.05 0.00 -2.13 2.80 0.00 0.00 179.97 180.08 1xnr n ARG 132 N -5.45 0.00 -0.04 0.20 0.63 -0.23 -2.11 116.66 109.66 1xnr n ARG 132 Ca 0.07 0.40 -0.01 0.00 -0.92 0.00 0.00 57.85 57.39 1xnr n ARG 132 Cb 0.38 -1.33 -0.01 0.00 0.45 0.00 0.00 32.46 31.94 1xnr n ARG 132 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xnr n ALA 133 N -1.61 -0.06 -0.10 5.13 0.00 -0.15 0.70 120.51 124.42 1xnr n ALA 133 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.46 1xnr n ALA 133 Cb 0.00 0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.55 1xnr n ALA 133 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xnr h ILE 134 N 0.00 0.72 -0.99 0.00 2.04 -1.47 0.49 117.51 118.30 1xnr h ILE 134 Ca 0.01 -0.02 0.22 0.00 1.00 0.00 0.00 64.86 66.07 1xnr h ILE 134 Cb 0.04 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 1xnr h ILE 134 CO -0.09 0.01 0.62 0.50 0.00 0.00 0.00 178.15 179.20 1xnr h LYS 135 N 0.07 0.55 0.23 2.37 1.63 0.83 -0.59 116.57 121.66 1xnr h LYS 135 Ca 0.17 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 1xnr h LYS 135 Cb 0.24 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1xnr h LYS 135 CO -0.30 0.37 -0.11 1.96 -3.45 0.00 0.00 179.45 177.91 1xnr h GLN 136 N 0.57 -0.30 -0.81 1.90 4.20 0.10 -2.79 115.11 117.98 1xnr h GLN 136 Ca 0.56 0.02 0.21 0.00 0.06 0.00 0.00 58.65 59.50 1xnr h GLN 136 Cb 1.15 0.07 -0.15 0.00 0.30 0.00 0.00 27.48 28.84 1xnr h GLN 136 CO -0.32 -0.20 -0.05 0.00 -0.67 0.00 0.00 178.83 177.60 1xnr n ALA 137 N -2.70 0.35 -0.05 3.87 0.00 0.15 0.20 120.51 122.33 1xnr n ALA 137 Ca -0.04 0.88 -0.15 0.00 0.00 0.00 0.00 53.44 54.13 1xnr n ALA 137 Cb 0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1xnr n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnr h VAL 138 N 0.00 1.33 -0.50 0.00 2.07 -1.25 -0.98 116.25 116.92 1xnr h VAL 138 Ca 0.46 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.36 1xnr h VAL 138 Cb 0.89 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 1xnr h VAL 138 CO -0.78 0.52 0.19 1.56 0.02 0.00 0.00 177.57 179.08 1xnr h GLN 139 N 0.29 0.36 0.00 1.57 1.08 0.26 0.42 115.11 119.09 1xnr h GLN 139 Ca -0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1xnr h GLN 139 Cb 1.05 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1xnr h GLN 139 CO 0.10 0.24 0.00 0.54 -0.95 0.00 0.00 178.83 178.76 1xnr n ARG 140 N -4.99 0.00 -0.31 1.46 1.74 0.53 0.31 116.66 115.40 1xnr n ARG 140 Ca 0.05 0.49 0.11 0.00 -0.77 0.00 0.00 57.85 57.73 1xnr n ARG 140 Cb 0.19 -1.36 0.24 0.00 -1.02 0.00 0.00 32.46 30.51 1xnr n ARG 140 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xnr h VAL 141 N 0.00 0.17 -0.35 1.55 2.07 -1.06 0.33 116.25 118.96 1xnr h VAL 141 Ca 0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xnr h VAL 141 Cb 0.00 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1xnr h VAL 141 CO 0.00 0.01 0.10 0.24 0.02 0.00 0.00 177.57 177.94 1xnr h MET 142 N 0.07 0.55 -0.70 1.57 2.86 0.01 -3.19 114.93 116.11 1xnr h MET 142 Ca 0.52 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 58.03 1xnr h MET 142 Cb 1.02 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 1xnr h MET 142 CO -0.80 0.59 0.42 1.49 1.06 0.00 0.00 176.91 179.66 1xnr h GLU 143 N 0.42 0.95 -2.82 1.72 4.81 0.19 -3.23 114.58 116.62 1xnr h GLU 143 Ca 0.11 -0.09 -0.75 0.00 -0.13 0.00 0.00 59.36 58.50 1xnr h GLU 143 Cb 0.27 -0.20 -0.14 0.00 0.63 0.00 0.00 28.75 29.31 1xnr h GLU 143 CO -0.00 0.68 2.26 -1.13 -0.73 0.00 0.00 179.01 180.08 1xnr n SER 144 N -4.54 7.30 0.00 1.04 3.41 -0.46 -4.96 113.62 115.42 1xnr n SER 144 Ca 0.06 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1xnr n SER 144 Cb 0.06 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 1xnr n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xnr n GLY 145 N 1.92 -0.01 1.06 5.00 0.00 -1.22 -4.83 105.19 107.10 1xnr n GLY 145 Ca 0.56 -1.40 0.06 0.00 0.00 0.00 0.00 46.02 45.24 1xnr n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 146 N 3.16 -2.12 0.54 4.61 0.00 -1.26 -4.47 120.51 120.96 1xnr n ALA 146 Ca 0.00 0.51 0.06 0.00 0.00 0.00 0.00 53.44 54.01 1xnr n ALA 146 Cb 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 1xnr n ALA 146 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xnr n LYS 147 N -3.00 1.92 0.00 0.00 5.02 -0.77 -4.98 118.16 116.35 1xnr n LYS 147 Ca -0.04 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 1xnr n LYS 147 Cb 0.42 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1xnr n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xnr n GLY 148 N 0.98 2.28 3.62 0.72 0.00 -1.20 -1.92 105.19 109.66 1xnr n GLY 148 Ca 0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 1xnr n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr s ALA 149 N -2.00 -0.03 -0.28 4.61 0.00 0.10 0.59 121.76 124.75 1xnr s ALA 149 Ca 0.00 -1.06 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1xnr s ALA 149 Cb 0.00 1.00 0.12 0.00 0.00 0.00 0.00 23.12 24.23 1xnr s ALA 149 CO 0.00 -0.87 0.94 0.21 0.00 0.00 0.00 175.76 176.03 1xnr s LYS 150 N -3.24 0.54 0.09 0.00 2.20 0.95 -1.96 119.74 118.32 1xnr s LYS 150 Ca 0.23 0.74 0.07 0.00 -0.36 0.00 0.00 55.97 56.65 1xnr s LYS 150 Cb -0.02 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1xnr s LYS 150 CO 0.14 -0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 174.95 1xnr s VAL 151 N 0.68 1.40 -0.10 4.02 1.01 -0.92 0.12 120.40 126.60 1xnr s VAL 151 Ca -0.02 -1.43 -0.05 0.00 0.00 0.00 0.00 61.98 60.49 1xnr s VAL 151 Cb -0.05 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.07 1xnr s VAL 151 CO -0.09 -0.16 0.23 -0.63 0.00 0.00 0.00 175.10 174.45 1xnr s ILE 152 N -1.26 -0.18 0.07 2.22 1.01 0.16 -4.12 121.20 119.10 1xnr s ILE 152 Ca 0.02 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.94 1xnr s ILE 152 Cb -0.10 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 1xnr s ILE 152 CO 0.03 0.09 -0.07 -0.69 0.00 0.00 0.00 174.94 174.31 1xnr s VAL 153 N 1.73 3.61 0.00 2.92 1.01 -0.67 0.00 120.40 129.00 1xnr s VAL 153 Ca -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1xnr s VAL 153 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1xnr s VAL 153 CO -0.08 0.21 0.00 -1.54 0.00 0.00 0.00 175.10 173.69 1xnr n SER 154 N 0.95 0.00 -4.41 3.32 3.41 -0.11 -1.51 113.62 115.27 1xnr n SER 154 Ca -0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.28 1xnr n SER 154 Cb 0.52 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 1xnr n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xnr s GLY 155 N 0.00 1.95 0.00 5.00 0.00 -1.02 -2.61 107.32 110.63 1xnr s GLY 155 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1xnr s GLY 155 CO 0.00 -1.75 0.00 0.54 0.00 0.00 0.00 173.10 171.89 1xnr n ARG 156 N -0.61 0.00 -1.40 2.90 1.74 -1.26 -4.61 116.66 113.41 1xnr n ARG 156 Ca -0.02 0.00 -0.48 0.00 -0.77 0.00 0.00 57.85 56.58 1xnr n ARG 156 Cb 0.66 -0.55 -0.13 0.00 -1.02 0.00 0.00 32.46 31.42 1xnr n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1xnr n ILE 157 N -2.16 0.00 -0.47 0.55 5.41 -1.26 0.16 119.36 121.59 1xnr n ILE 157 Ca 0.00 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1xnr n ILE 157 Cb 0.00 -0.58 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 1xnr n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xnr n GLY 158 N 6.87 0.74 0.00 7.39 0.00 -1.26 -3.47 105.19 115.47 1xnr n GLY 158 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1xnr n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 159 N -2.05 0.65 3.62 -0.02 0.00 0.42 -5.01 105.19 102.80 1xnr n GLY 159 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1xnr n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 160 N -2.00 1.00 0.30 4.61 0.00 -1.09 -4.79 120.51 118.54 1xnr n ALA 160 Ca 0.00 0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.77 1xnr n ALA 160 Cb 0.00 -2.56 0.96 0.00 0.00 0.00 0.00 19.45 17.85 1xnr n ALA 160 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xnr h GLU 161 N 10.63 0.00 -4.47 0.00 5.08 -1.94 -3.37 114.58 120.53 1xnr h GLU 161 Ca -0.43 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.21 1xnr h GLU 161 Cb 1.28 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.28 1xnr h GLU 161 CO 0.97 0.00 -0.45 -1.14 -1.00 0.00 0.00 179.01 177.39 1xnr s GLN 162 N -4.28 2.79 0.16 2.33 -0.44 -1.26 -4.98 119.66 113.98 1xnr s GLN 162 Ca -0.04 -1.27 -0.34 0.00 -2.50 0.00 0.00 55.36 51.20 1xnr s GLN 162 Cb 0.12 -3.86 -0.15 0.00 -1.64 0.00 0.00 33.01 27.48 1xnr s GLN 162 CO 0.40 -0.87 1.32 0.00 0.50 0.00 0.00 175.29 176.64 1xnr n ALA 163 N 5.03 -0.18 -3.00 1.58 0.00 -1.26 -4.27 120.51 118.41 1xnr n ALA 163 Ca -0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1xnr n ALA 163 Cb 0.44 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1xnr n ALA 163 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xnr n ARG 164 N 2.28 3.57 -3.26 0.00 0.63 -1.26 -4.72 116.66 113.90 1xnr n ARG 164 Ca 0.16 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.12 1xnr n ARG 164 Cb 0.25 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.13 1xnr n ARG 164 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1xnr s THR 165 N 2.28 -0.38 -0.20 5.15 2.01 -1.07 -2.45 115.64 120.99 1xnr s THR 165 Ca 0.00 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 1xnr s THR 165 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1xnr s THR 165 CO 0.00 0.00 0.28 -1.61 -0.69 0.00 0.00 174.62 172.60 1xnr s GLU 166 N 2.59 4.18 0.00 4.92 8.01 -0.57 -4.97 118.70 132.87 1xnr s GLU 166 Ca -0.01 0.02 0.00 0.00 0.01 0.00 0.00 54.97 54.99 1xnr s GLU 166 Cb -0.07 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.26 1xnr s GLU 166 CO -0.15 0.10 0.00 1.87 0.01 0.00 0.00 175.26 177.10 1xnr n TRP 167 N 4.05 0.00 -0.07 1.61 -0.00 -1.26 -1.68 117.44 120.09 1xnr n TRP 167 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1xnr n TRP 167 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 1xnr n TRP 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1xnr n ALA 168 N -3.00 -0.81 -3.65 5.87 0.00 -1.26 -4.53 120.51 113.14 1xnr n ALA 168 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1xnr n ALA 168 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 19.45 19.25 1xnr n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnr s ALA 169 N -0.12 -2.26 0.41 0.00 0.00 -1.26 -2.15 121.76 116.37 1xnr s ALA 169 Ca 0.00 1.86 0.07 0.00 0.00 0.00 0.00 51.96 53.89 1xnr s ALA 169 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1xnr s ALA 169 CO 0.00 -0.21 0.07 -0.65 0.00 0.00 0.00 175.76 174.97 1xnr s GLN 170 N 0.45 2.05 7.80 0.00 -0.21 -0.83 -4.96 119.66 123.96 1xnr s GLN 170 Ca 0.01 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 53.39 1xnr s GLN 170 Cb -0.04 -1.77 0.00 0.00 1.00 0.00 0.00 33.01 32.20 1xnr s GLN 170 CO -0.12 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 1xnr n GLY 171 N -1.06 3.17 3.03 3.09 0.00 -1.26 -0.72 105.19 111.44 1xnr n GLY 171 Ca -0.04 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 1xnr n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnr s ARG 172 N 0.00 0.54 -0.45 1.61 0.52 -0.81 -4.92 118.95 115.44 1xnr s ARG 172 Ca 0.00 -0.53 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1xnr s ARG 172 Cb 0.00 -0.42 0.24 0.00 0.52 0.00 0.00 34.95 35.29 1xnr s ARG 172 CO 0.00 0.10 0.72 0.28 0.02 0.00 0.00 175.30 176.42 1xnr n VAL 173 N 2.10 -0.31 -2.10 3.52 0.31 -1.26 -3.59 118.33 117.01 1xnr n VAL 173 Ca -0.18 -2.42 -0.39 0.00 -0.01 0.00 0.00 64.34 61.34 1xnr n VAL 173 Cb 0.56 0.11 -0.03 0.00 -0.91 0.00 0.00 33.84 33.57 1xnr n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1xnr s PRO 174 N 0.04 2.71 0.22 5.55 0.04 -1.26 -4.82 135.00 137.47 1xnr s PRO 174 Ca 0.33 0.53 0.26 0.00 0.04 0.00 0.00 61.00 62.16 1xnr s PRO 174 Cb 0.18 -4.36 0.81 0.00 0.04 0.00 0.00 34.50 31.17 1xnr s PRO 174 CO -0.18 -2.65 1.77 1.28 0.04 0.00 0.00 177.00 177.26 1xnr n LEU 175 N 12.32 0.83 0.01 -3.56 4.77 -1.26 -3.24 117.00 126.86 1xnr n LEU 175 Ca 0.18 0.59 0.02 0.00 -0.03 0.00 0.00 56.01 56.77 1xnr n LEU 175 Cb 0.52 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1xnr n LEU 175 CO 0.71 -0.21 -0.50 1.41 -1.33 0.00 0.00 177.39 177.47 1xnr n HIS 176 N -2.28 0.60 -2.15 -1.77 8.25 -1.26 -4.77 115.22 111.83 1xnr n HIS 176 Ca 0.05 0.19 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 1xnr n HIS 176 Cb 0.42 -0.92 -0.03 0.00 1.12 0.00 0.00 29.99 30.58 1xnr n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xnr s THR 177 N -3.05 3.60 -0.52 1.59 2.01 -1.20 -4.90 115.64 113.17 1xnr s THR 177 Ca -0.05 0.56 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 1xnr s THR 177 Cb 0.10 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1xnr s THR 177 CO 0.83 -0.70 1.71 -0.22 -0.69 0.00 0.00 174.62 175.55 1xnr s LEU 178 N 6.84 3.38 0.00 4.42 2.96 -1.26 -1.88 118.68 133.14 1xnr s LEU 178 Ca 0.69 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1xnr s LEU 178 Cb -0.17 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.58 1xnr s LEU 178 CO 0.30 -2.00 0.00 -2.11 -1.32 0.00 0.00 176.35 171.21 1xnr n ARG 179 N 8.82 0.00 0.00 1.98 0.00 -1.26 -4.97 116.66 121.23 1xnr n ARG 179 Ca 0.19 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.05 1xnr n ARG 179 Cb 0.50 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 33.01 1xnr n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xnr n ALA 180 N -0.63 1.48 -3.42 2.89 0.00 -0.79 -4.61 120.51 115.43 1xnr n ALA 180 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1xnr n ALA 180 Cb 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1xnr n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xnr n ASN 181 N -1.09 -6.16 -4.19 0.00 5.15 -1.26 -4.03 115.26 103.67 1xnr n ASN 181 Ca 0.01 -0.36 -0.34 0.00 -0.60 0.00 0.00 54.58 53.30 1xnr n ASN 181 Cb 0.01 -3.10 -0.15 0.00 -0.53 0.00 0.00 39.78 36.01 1xnr n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xnr s ILE 182 N -2.61 2.62 0.03 -1.44 1.01 -1.26 -2.83 121.20 116.72 1xnr s ILE 182 Ca 0.12 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.68 1xnr s ILE 182 Cb -0.02 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1xnr s ILE 182 CO 0.84 0.43 0.82 -0.62 0.00 0.00 0.00 174.94 176.41 1xnr s ASP 183 N 1.35 7.24 -0.07 3.58 3.68 0.33 -4.77 116.67 128.02 1xnr s ASP 183 Ca 0.04 1.49 0.02 0.00 2.13 0.00 0.00 52.55 56.23 1xnr s ASP 183 Cb -0.14 -2.49 -0.02 0.00 -1.45 0.00 0.00 42.92 38.81 1xnr s ASP 183 CO -0.08 -0.06 -0.13 -0.47 0.13 0.00 0.00 175.17 174.56 1xnr s TYR 184 N 0.25 2.76 -0.10 -5.34 5.04 -1.26 -0.97 117.35 117.73 1xnr s TYR 184 Ca 0.42 -0.23 -0.04 0.00 -2.44 0.00 0.00 57.07 54.78 1xnr s TYR 184 Cb -0.21 -1.69 0.05 0.00 0.35 0.00 0.00 41.96 40.47 1xnr s TYR 184 CO 0.24 0.13 0.19 0.20 -1.34 0.00 0.00 175.55 174.97 1xnr s GLY 185 N -0.51 -0.01 0.48 8.97 0.00 -0.39 -4.38 107.32 111.47 1xnr s GLY 185 Ca 0.07 0.69 0.07 0.00 0.00 0.00 0.00 44.72 45.55 1xnr s GLY 185 CO 0.02 1.72 0.67 -0.12 0.00 0.00 0.00 173.10 175.38 1xnr s PHE 186 N 2.25 2.48 -0.30 1.90 5.36 -1.26 -0.83 117.98 127.58 1xnr s PHE 186 Ca 0.02 -0.40 -0.16 0.00 -0.96 0.00 0.00 56.93 55.42 1xnr s PHE 186 Cb -0.12 -2.43 0.19 0.00 -0.34 0.00 0.00 43.02 40.32 1xnr s PHE 186 CO -0.07 -0.70 1.19 0.00 -1.46 0.00 0.00 175.22 174.19 1xnr s ALA 187 N -2.51 -2.59 1.00 11.12 0.00 -0.88 -4.65 121.76 123.25 1xnr s ALA 187 Ca 0.57 2.03 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1xnr s ALA 187 Cb -0.09 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1xnr s ALA 187 CO 0.36 -0.33 0.00 1.28 0.00 0.00 0.00 175.76 177.06 1xnr n LEU 188 N 3.25 0.00 0.00 0.00 7.99 -1.26 -0.98 117.00 126.00 1xnr n LEU 188 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1xnr n LEU 188 Cb 0.57 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.88 1xnr n LEU 188 CO 0.05 -0.04 0.00 0.00 -1.51 0.00 0.00 177.39 175.90 1xnr n ALA 189 N -3.00 0.00 -0.73 -1.18 0.00 -1.20 -4.49 120.51 109.92 1xnr n ALA 189 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1xnr n ALA 189 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1xnr n ALA 189 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xnr n ARG 190 N 0.00 -1.28 -3.48 0.00 1.74 -1.26 -3.31 116.66 109.07 1xnr n ARG 190 Ca 0.00 -0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 56.62 1xnr n ARG 190 Cb 0.00 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 1xnr n ARG 190 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xnr s THR 191 N -2.21 0.00 0.49 0.55 2.01 0.66 -4.63 115.64 112.50 1xnr s THR 191 Ca 0.53 -0.06 0.17 0.00 0.31 0.00 0.00 61.69 62.63 1xnr s THR 191 Cb -0.09 -1.07 0.31 0.00 0.01 0.00 0.00 72.50 71.66 1xnr s THR 191 CO 0.66 0.00 2.06 0.00 -0.69 0.00 0.00 174.62 176.66 1xnr h THR 192 N 2.00 0.93 0.00 -0.82 1.03 -1.95 -2.91 112.91 111.18 1xnr h THR 192 Ca -0.28 -0.06 -0.05 0.00 -0.01 0.00 0.00 66.41 66.01 1xnr h THR 192 Cb 1.28 0.75 -0.01 0.00 -1.07 0.00 0.00 68.15 69.10 1xnr h THR 192 CO 0.34 0.03 -1.85 0.00 -0.01 0.00 0.00 175.52 174.03 1xnr n TYR 193 N -4.48 0.00 -2.07 0.00 0.18 -1.26 -5.10 117.16 104.43 1xnr n TYR 193 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 1xnr n TYR 193 Cb 0.27 -0.47 0.00 0.00 -0.38 0.00 0.00 39.34 38.76 1xnr n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xnr n GLY 194 N 1.60 -0.58 3.78 -7.48 0.00 -1.10 -5.12 105.19 96.29 1xnr n GLY 194 Ca -0.07 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1xnr n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 195 N -3.40 2.87 -0.12 1.61 1.01 -1.26 -0.25 120.40 120.86 1xnr s VAL 195 Ca 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 1xnr s VAL 195 Cb 0.00 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1xnr s VAL 195 CO 0.00 -0.11 0.37 -0.76 0.00 0.00 0.00 175.10 174.60 1xnr s LEU 196 N -3.93 0.60 -0.09 3.92 2.01 -1.21 -4.77 118.68 115.20 1xnr s LEU 196 Ca 0.41 0.64 -0.02 0.00 0.01 0.00 0.00 54.13 55.17 1xnr s LEU 196 Cb -0.02 1.30 -0.03 0.00 0.01 0.00 0.00 46.19 47.45 1xnr s LEU 196 CO 0.24 -0.19 0.01 -0.83 1.01 0.00 0.00 176.35 176.59 1xnr s GLY 197 N -0.08 1.86 -0.21 -3.19 0.00 -1.26 -3.22 107.32 101.22 1xnr s GLY 197 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1xnr s GLY 197 CO 0.01 -0.55 -0.05 0.14 0.00 0.00 0.00 173.10 172.65 1xnr s VAL 198 N -0.87 1.33 -0.13 1.40 1.01 -0.16 -0.93 120.40 122.05 1xnr s VAL 198 Ca 0.13 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1xnr s VAL 198 Cb -0.11 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1xnr s VAL 198 CO 0.02 -0.02 0.02 -0.54 0.00 0.00 0.00 175.10 174.58 1xnr s LYS 199 N 1.50 3.47 -0.05 2.72 1.02 0.10 -2.07 119.74 126.44 1xnr s LYS 199 Ca -0.03 -0.40 0.04 0.00 0.02 0.00 0.00 55.97 55.60 1xnr s LYS 199 Cb -0.17 -2.97 -0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1xnr s LYS 199 CO -0.07 0.47 -0.16 0.00 -0.92 0.00 0.00 175.35 174.66 1xnr s ALA 200 N -0.22 1.48 -0.13 5.17 0.00 -0.01 0.40 121.76 128.46 1xnr s ALA 200 Ca 0.06 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1xnr s ALA 200 Cb -0.12 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.50 1xnr s ALA 200 CO 0.02 0.25 -0.13 0.71 0.00 0.00 0.00 175.76 176.61 1xnr s TYR 201 N 0.13 1.93 -0.17 0.00 1.51 0.32 -1.27 117.35 119.80 1xnr s TYR 201 Ca -0.06 -1.01 0.01 0.00 -1.01 0.00 0.00 57.07 55.00 1xnr s TYR 201 Cb -0.12 -1.45 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1xnr s TYR 201 CO 0.03 -0.58 -0.18 0.42 -1.11 0.00 0.00 175.55 174.13 1xnr s ILE 202 N 1.41 1.91 -0.03 2.71 1.01 -0.14 -0.03 121.20 128.03 1xnr s ILE 202 Ca 0.02 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1xnr s ILE 202 Cb -0.13 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1xnr s ILE 202 CO -0.08 0.51 0.29 0.12 0.00 0.00 0.00 174.94 175.79 1xnr s PHE 203 N 1.35 3.65 -0.30 3.97 5.36 0.20 -0.51 117.98 131.70 1xnr s PHE 203 Ca 0.05 0.75 -0.06 0.00 -0.96 0.00 0.00 56.93 56.71 1xnr s PHE 203 Cb -0.13 -2.11 0.18 0.00 -0.34 0.00 0.00 43.02 40.62 1xnr s PHE 203 CO -0.12 0.66 0.76 -0.48 -1.46 0.00 0.00 175.22 174.57 1xnr s LEU 204 N -1.26 -1.05 0.01 6.12 0.05 -1.13 -1.86 118.68 119.56 1xnr s LEU 204 Ca 0.22 0.77 0.00 0.00 0.05 0.00 0.00 54.13 55.17 1xnr s LEU 204 Cb -0.14 1.93 0.00 0.00 -2.05 0.00 0.00 46.19 45.92 1xnr s LEU 204 CO 0.11 -0.20 0.00 0.61 -0.55 0.00 0.00 176.35 176.32 1xnr n GLY 205 N 5.41 -3.46 0.28 -3.48 0.00 -1.26 -4.71 105.19 97.97 1xnr n GLY 205 Ca -0.04 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1xnr n GLY 205 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xnr h GLU 206 N 0.32 -0.65 0.00 1.61 4.39 -1.88 -3.39 114.58 114.98 1xnr h GLU 206 Ca 0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xnr h GLU 206 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1xnr h GLU 206 CO 0.00 -0.43 0.00 0.28 -1.16 0.00 0.00 179.01 177.70