#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nrw s LEU 3 N 0.00 1.17 -0.11 -0.35 0.20 -1.10 -0.77 118.68 117.72 1nrw s LEU 3 Ca 0.00 0.17 -0.00 0.00 0.69 0.00 0.00 54.13 54.99 1nrw s LEU 3 Cb 0.00 0.19 0.02 0.00 -0.43 0.00 0.00 46.19 45.98 1nrw s LEU 3 CO 0.00 -0.10 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.24 1nrw s ILE 4 N 0.75 1.06 -0.18 6.68 1.01 -0.21 -1.52 121.20 128.80 1nrw s ILE 4 Ca -0.06 -0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 1nrw s ILE 4 Cb -0.08 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1nrw s ILE 4 CO -0.03 0.37 0.22 0.00 0.00 0.00 0.00 174.94 175.50 1nrw s ALA 5 N 1.56 3.63 -0.12 9.38 0.00 0.52 -1.03 121.76 135.69 1nrw s ALA 5 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.42 1nrw s ALA 5 Cb -0.13 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.71 1nrw s ALA 5 CO -0.07 0.10 -0.12 0.42 0.00 0.00 0.00 175.76 176.08 1nrw s ILE 6 N 0.48 1.36 0.66 0.00 1.01 0.23 -1.41 121.20 123.53 1nrw s ILE 6 Ca 0.13 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1nrw s ILE 6 Cb -0.12 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1nrw s ILE 6 CO 0.02 0.42 1.17 -0.62 0.00 0.00 0.00 174.94 175.93 1nrw s ASP 7 N 1.37 4.81 0.00 3.58 2.15 -0.83 -0.81 116.67 126.93 1nrw s ASP 7 Ca 0.01 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.24 1nrw s ASP 7 Cb -0.13 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1nrw s ASP 7 CO -0.07 -1.85 0.00 -0.11 -0.17 0.00 0.00 175.17 172.98 1nrw n LEU 8 N -2.25 1.56 -4.77 -1.34 7.94 -1.15 -2.02 117.00 114.97 1nrw n LEU 8 Ca 0.12 0.06 -0.40 0.00 -1.11 0.00 0.00 56.01 54.68 1nrw n LEU 8 Cb 0.51 -0.09 0.01 0.00 0.53 0.00 0.00 43.42 44.37 1nrw n LEU 8 CO 0.46 -0.09 1.08 -1.81 -1.11 0.00 0.00 177.39 175.92 1nrw s ASP 9 N -1.44 6.11 0.00 1.96 1.01 -1.26 -1.39 116.67 121.66 1nrw s ASP 9 Ca 0.00 2.93 0.00 0.00 0.71 0.00 0.00 52.55 56.19 1nrw s ASP 9 Cb 0.00 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1nrw s ASP 9 CO 0.00 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 174.97 1nrw n GLY 10 N 0.56 0.18 0.00 0.21 0.00 -1.25 -4.65 105.19 100.23 1nrw n GLY 10 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1nrw n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nrw n THR 11 N -2.06 0.00 -0.12 2.61 -1.04 -1.06 -4.49 114.28 108.11 1nrw n THR 11 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1nrw n THR 11 Cb 0.12 -0.21 0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1nrw n THR 11 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1nrw h LEU 12 N 0.00 0.91 -9.75 -4.42 5.85 -0.71 -3.42 115.31 103.76 1nrw h LEU 12 Ca 0.00 -0.34 -0.54 0.00 0.84 0.00 0.00 57.88 57.84 1nrw h LEU 12 Cb 0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1nrw h LEU 12 CO 0.00 1.09 0.10 -0.76 -0.34 0.00 0.00 178.44 178.53 1nrw s LEU 13 N -8.99 4.51 0.00 2.25 1.43 -0.48 -4.60 118.68 112.80 1nrw s LEU 13 Ca -0.10 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1nrw s LEU 13 Cb 0.13 -3.26 0.06 0.00 0.03 0.00 0.00 46.19 43.14 1nrw s LEU 13 CO 0.85 0.18 0.35 -0.46 0.23 0.00 0.00 176.35 177.50 1nrw n ASN 14 N 1.39 0.16 0.00 2.29 0.23 -0.76 -3.77 115.26 114.81 1nrw n ASN 14 Ca -0.06 -1.21 0.06 0.00 -0.53 0.00 0.00 54.58 52.84 1nrw n ASN 14 Cb 0.50 -0.25 0.32 0.00 -2.08 0.00 0.00 39.78 38.26 1nrw n ASN 14 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1nrw n SER 15 N -3.15 0.00 -0.75 0.53 3.41 -1.26 -1.14 113.62 111.26 1nrw n SER 15 Ca 0.05 0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.89 1nrw n SER 15 Cb 0.17 -0.32 0.19 0.00 -0.26 0.00 0.00 64.21 63.98 1nrw n SER 15 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nrw n LYS 16 N -1.32 2.92 -2.96 4.33 5.02 -1.26 -4.65 118.16 120.23 1nrw n LYS 16 Ca 0.06 -2.27 -0.21 0.00 -2.02 0.00 0.00 58.31 53.86 1nrw n LYS 16 Cb 0.11 -1.42 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1nrw n LYS 16 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1nrw n HIS 17 N 0.37 -1.86 -4.23 2.13 -0.00 -0.29 -4.89 115.22 106.45 1nrw n HIS 17 Ca 0.15 0.49 -0.23 0.00 0.46 0.00 0.00 57.72 58.58 1nrw n HIS 17 Cb 0.55 -4.36 -0.06 0.00 -0.12 0.00 0.00 29.99 26.00 1nrw n HIS 17 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 1nrw s GLN 18 N -5.63 2.52 -0.34 1.57 -0.21 -1.26 -4.84 119.66 111.47 1nrw s GLN 18 Ca 0.28 -1.27 -0.10 0.00 0.02 0.00 0.00 55.36 54.29 1nrw s GLN 18 Cb -0.12 -2.32 0.01 0.00 1.00 0.00 0.00 33.01 31.58 1nrw s GLN 18 CO 0.35 0.38 0.18 0.08 -2.12 0.00 0.00 175.29 174.16 1nrw s VAL 19 N -2.22 4.64 0.86 1.09 1.01 -1.26 -1.82 120.40 122.70 1nrw s VAL 19 Ca 0.32 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 1nrw s VAL 19 Cb -0.07 -3.47 0.11 0.00 0.00 0.00 0.00 36.38 32.96 1nrw s VAL 19 CO 0.22 -0.07 1.13 -0.94 0.00 0.00 0.00 175.10 175.43 1nrw s SER 20 N 1.60 3.48 0.26 3.32 1.04 -1.26 -4.75 113.70 117.38 1nrw s SER 20 Ca 0.04 2.07 -0.05 0.00 0.48 0.00 0.00 55.95 58.49 1nrw s SER 20 Cb -0.18 -2.55 0.31 0.00 0.10 0.00 0.00 66.02 63.70 1nrw s SER 20 CO 0.07 -2.73 1.92 -0.07 0.98 0.00 0.00 173.24 173.42 1nrw h LEU 21 N -1.59 1.12 -0.47 2.42 3.38 -1.99 -0.02 115.31 118.16 1nrw h LEU 21 Ca -0.43 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 1nrw h LEU 21 Cb 1.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1nrw h LEU 21 CO 0.45 0.79 0.27 -0.33 0.09 0.00 0.00 178.44 179.71 1nrw h GLU 22 N 1.31 0.65 -0.41 1.13 3.07 -1.99 -0.36 114.58 117.98 1nrw h GLU 22 Ca 0.38 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.03 1nrw h GLU 22 Cb -0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1nrw h GLU 22 CO -0.10 0.50 -0.27 -0.91 -1.40 0.00 0.00 179.01 176.84 1nrw h ASN 23 N 0.62 0.89 -0.33 1.42 4.21 -1.79 -0.93 115.58 119.69 1nrw h ASN 23 Ca 0.17 -0.35 -0.02 0.00 1.21 0.00 0.00 56.30 57.31 1nrw h ASN 23 Cb 0.03 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.97 1nrw h ASN 23 CO -0.03 1.10 0.13 -0.08 -1.29 0.00 0.00 177.43 177.27 1nrw h GLU 24 N 0.74 0.49 -0.89 0.81 4.81 -0.76 -0.78 114.58 119.00 1nrw h GLU 24 Ca 0.09 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1nrw h GLU 24 Cb 0.82 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 1nrw h GLU 24 CO 0.07 0.48 0.54 -0.91 -0.73 0.00 0.00 179.01 178.47 1nrw h ASN 25 N 0.38 1.06 -0.75 1.04 2.35 -0.96 -1.77 115.58 116.93 1nrw h ASN 25 Ca 0.11 -0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1nrw h ASN 25 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1nrw h ASN 25 CO -0.01 0.81 0.28 0.00 -1.65 0.00 0.00 177.43 176.86 1nrw h ALA 26 N 1.30 0.98 -0.24 -0.83 0.00 -0.79 -0.51 119.26 119.17 1nrw h ALA 26 Ca 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nrw h ALA 26 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1nrw h ALA 26 CO -0.06 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.81 1nrw h LEU 27 N 1.10 0.36 -1.07 0.00 3.38 -0.76 -1.65 115.31 116.65 1nrw h LEU 27 Ca 0.25 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1nrw h LEU 27 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1nrw h LEU 27 CO -0.02 0.49 -0.07 0.03 0.09 0.00 0.00 178.44 178.96 1nrw h ARG 28 N 0.21 0.57 -0.56 1.13 3.08 -1.19 -1.82 114.38 115.80 1nrw h ARG 28 Ca 0.07 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1nrw h ARG 28 Cb 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1nrw h ARG 28 CO 0.00 0.65 -0.09 0.37 -1.07 0.00 0.00 179.97 179.84 1nrw h GLN 29 N 0.54 1.04 -0.62 0.04 5.75 -0.92 0.24 115.11 121.18 1nrw h GLN 29 Ca 0.10 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 1nrw h GLN 29 Cb 0.45 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 1nrw h GLN 29 CO 0.02 1.07 0.32 0.00 -2.65 0.00 0.00 178.83 177.59 1nrw h ALA 30 N 0.94 0.80 -0.13 3.38 0.00 -0.97 0.78 119.26 124.05 1nrw h ALA 30 Ca 0.15 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1nrw h ALA 30 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nrw h ALA 30 CO 0.05 0.34 -0.34 1.96 0.00 0.00 0.00 179.25 181.26 1nrw h GLN 31 N 0.85 0.27 -0.26 0.00 4.20 -1.07 -0.80 115.11 118.29 1nrw h GLN 31 Ca 0.22 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 1nrw h GLN 31 Cb 0.09 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1nrw h GLN 31 CO -0.03 0.58 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.43 1nrw h ARG 32 N 0.23 0.47 0.00 1.46 2.43 -0.16 -1.72 114.38 117.10 1nrw h ARG 32 Ca 0.03 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1nrw h ARG 32 Cb 0.72 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1nrw h ARG 32 CO 0.05 0.65 0.00 -0.25 -1.51 0.00 0.00 179.97 178.92 1nrw n ASP 33 N -4.16 0.00 0.00 -3.80 8.00 0.19 -4.87 116.55 111.92 1nrw n ASP 33 Ca -0.00 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1nrw n ASP 33 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1nrw n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nrw n GLY 34 N 0.83 0.56 3.76 0.44 0.00 -0.65 -5.04 105.19 105.09 1nrw n GLY 34 Ca 0.20 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1nrw n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nrw s ILE 35 N -2.00 4.94 -0.20 -0.61 1.01 -0.36 -4.98 121.20 118.99 1nrw s ILE 35 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.60 1nrw s ILE 35 Cb 0.00 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1nrw s ILE 35 CO 0.00 0.40 1.07 -1.61 0.00 0.00 0.00 174.94 174.80 1nrw s GLU 36 N -0.06 4.28 -0.17 2.79 0.41 0.05 -4.06 118.70 121.94 1nrw s GLU 36 Ca 0.31 1.41 -0.07 0.00 -0.41 0.00 0.00 54.97 56.22 1nrw s GLU 36 Cb -0.18 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 1nrw s GLU 36 CO 0.17 -0.60 0.05 0.08 -0.49 0.00 0.00 175.26 174.46 1nrw s VAL 37 N 3.09 4.66 -0.06 2.63 1.01 -1.26 -1.05 120.40 129.42 1nrw s VAL 37 Ca 0.46 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1nrw s VAL 37 Cb -0.16 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1nrw s VAL 37 CO 0.09 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 1nrw s VAL 38 N 0.28 1.42 -0.19 2.92 1.01 -0.20 -1.42 120.40 124.22 1nrw s VAL 38 Ca 0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1nrw s VAL 38 Cb -0.13 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1nrw s VAL 38 CO 0.01 0.41 0.04 -0.69 0.00 0.00 0.00 175.10 174.87 1nrw s VAL 39 N 0.34 4.42 -0.13 2.92 1.01 -0.29 0.77 120.40 129.44 1nrw s VAL 39 Ca -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1nrw s VAL 39 Cb -0.14 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1nrw s VAL 39 CO 0.04 0.44 -0.22 -0.55 0.00 0.00 0.00 175.10 174.80 1nrw s SER 40 N 0.71 3.10 0.12 3.32 0.15 0.01 -0.34 113.70 120.76 1nrw s SER 40 Ca 0.02 -0.59 -0.06 0.00 0.70 0.00 0.00 55.95 56.01 1nrw s SER 40 Cb -0.14 -1.43 -0.02 0.00 -1.71 0.00 0.00 66.02 62.72 1nrw s SER 40 CO 0.02 0.10 0.17 0.28 1.20 0.00 0.00 173.24 175.01 1nrw s THR 41 N 0.70 0.12 -1.04 6.45 -1.32 0.29 -2.93 115.64 117.92 1nrw s THR 41 Ca -0.10 -1.46 0.26 0.00 -1.21 0.00 0.00 61.69 59.18 1nrw s THR 41 Cb -0.16 -1.65 0.07 0.00 -1.51 0.00 0.00 72.50 69.25 1nrw s THR 41 CO 0.01 -0.55 1.54 0.61 -2.21 0.00 0.00 174.62 174.02 1nrw n GLY 42 N -0.10 -1.28 3.91 6.08 0.00 -1.26 -1.72 105.19 110.82 1nrw n GLY 42 Ca -0.11 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1nrw n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nrw s ARG 43 N -2.97 0.17 0.48 1.61 0.52 -1.26 -3.75 118.95 113.75 1nrw s ARG 43 Ca 0.12 -0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 1nrw s ARG 43 Cb 0.18 -1.80 -0.07 0.00 0.52 0.00 0.00 34.95 33.78 1nrw s ARG 43 CO 0.65 -2.72 0.92 0.00 0.02 0.00 0.00 175.30 174.17 1nrw s ALA 44 N -3.89 3.16 0.27 2.13 0.00 -1.26 -0.61 121.76 121.57 1nrw s ALA 44 Ca 0.76 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.77 1nrw s ALA 44 Cb -0.03 -2.98 0.51 0.00 0.00 0.00 0.00 23.12 20.62 1nrw s ALA 44 CO 0.54 -0.18 1.84 1.25 0.00 0.00 0.00 175.76 179.21 1nrw h HIS 45 N 0.98 1.12 0.00 0.00 2.76 -1.94 -0.52 115.15 117.56 1nrw h HIS 45 Ca -0.47 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.70 1nrw h HIS 45 Cb 1.19 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1nrw h HIS 45 CO 0.63 0.47 -0.17 0.27 -1.30 0.00 0.00 177.93 177.83 1nrw h PHE 46 N 1.01 0.00 -0.36 5.26 -5.15 -1.96 -2.14 116.94 113.59 1nrw h PHE 46 Ca 0.47 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 58.12 1nrw h PHE 46 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.57 1nrw h PHE 46 CO -0.01 0.17 -0.29 -0.44 -2.00 0.00 0.00 178.31 175.73 1nrw h ASP 47 N 0.00 0.80 0.00 -0.68 3.32 -1.47 -1.14 116.42 117.25 1nrw h ASP 47 Ca -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1nrw h ASP 47 Cb 0.50 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1nrw h ASP 47 CO 0.02 1.04 0.00 0.52 -1.72 0.00 0.00 179.24 179.10 1nrw n VAL 48 N -4.08 0.44 0.00 -1.35 0.31 -0.81 -3.37 118.33 109.47 1nrw n VAL 48 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1nrw n VAL 48 Cb 0.47 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1nrw n VAL 48 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nrw n SER 50 N 0.66 0.00 0.05 4.52 7.64 -0.43 -1.07 113.62 124.99 1nrw n SER 50 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1nrw n SER 50 Cb 0.24 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 1nrw n SER 50 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1nrw h ILE 51 N 0.00 0.95 0.10 0.44 2.04 -1.84 -3.40 117.51 115.80 1nrw h ILE 51 Ca 0.00 -2.47 -0.27 0.00 1.00 0.00 0.00 64.86 63.12 1nrw h ILE 51 Cb 0.00 2.74 0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1nrw h ILE 51 CO 0.00 0.82 -1.18 -0.26 0.00 0.00 0.00 178.15 177.53 1nrw h PHE 52 N -0.01 0.70 -0.32 1.37 -1.00 -1.42 -3.37 116.94 112.89 1nrw h PHE 52 Ca -0.34 -0.46 0.07 0.00 2.81 0.00 0.00 57.97 60.06 1nrw h PHE 52 Cb 2.00 -0.05 -0.08 0.00 3.61 0.00 0.00 35.95 41.43 1nrw h PHE 52 CO 0.11 1.32 -0.30 0.93 -1.61 0.00 0.00 178.31 178.76 1nrw h GLU 53 N 0.18 -0.26 0.00 1.51 4.39 -1.80 -0.42 114.58 118.18 1nrw h GLU 53 Ca -0.14 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1nrw h GLU 53 Cb 1.86 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.57 1nrw h GLU 53 CO 0.21 -0.17 -0.03 -1.35 -1.16 0.00 0.00 179.01 176.51 1nrw h PRO 54 N -0.27 0.00 -0.01 2.33 0.11 -1.79 -1.95 132.00 130.43 1nrw h PRO 54 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1nrw h PRO 54 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1nrw h PRO 54 CO -0.47 0.03 -0.58 1.28 -0.21 0.00 0.00 178.00 178.04 1nrw n LEU 55 N -3.50 1.16 -0.61 2.35 4.77 -0.48 -4.96 117.00 115.74 1nrw n LEU 55 Ca -0.03 -0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 55.48 1nrw n LEU 55 Cb 0.13 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1nrw n LEU 55 CO 0.25 0.24 -0.08 0.61 -1.33 0.00 0.00 177.39 177.09 1nrw n GLY 56 N 1.44 0.98 3.73 -0.72 0.00 -0.29 -4.99 105.19 105.35 1nrw n GLY 56 Ca 0.08 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 1nrw n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nrw s ILE 57 N -2.26 4.85 -0.15 -0.61 1.01 -0.86 -5.03 121.20 118.14 1nrw s ILE 57 Ca 0.00 1.61 -0.02 0.00 0.00 0.00 0.00 60.65 62.23 1nrw s ILE 57 Cb 0.00 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.41 1nrw s ILE 57 CO 0.00 0.31 0.01 -0.54 0.00 0.00 0.00 174.94 174.72 1nrw s LYS 58 N 0.32 0.76 0.25 2.79 1.02 -1.26 -4.54 119.74 119.08 1nrw s LYS 58 Ca 0.39 -0.29 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1nrw s LYS 58 Cb -0.20 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 1nrw s LYS 58 CO 0.22 -0.51 0.13 0.95 -0.92 0.00 0.00 175.35 175.22 1nrw s THR 59 N 1.86 0.27 0.56 2.17 -4.23 -1.26 -4.87 115.64 110.14 1nrw s THR 59 Ca 0.01 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 1nrw s THR 59 Cb -0.15 -2.55 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1nrw s THR 59 CO -0.07 0.00 1.13 0.26 -0.54 0.00 0.00 174.62 175.40 1nrw s TRP 60 N -3.85 2.66 -0.08 3.99 0.52 -0.51 -3.37 118.94 118.31 1nrw s TRP 60 Ca 0.38 1.54 -0.00 0.00 0.02 0.00 0.00 56.10 58.04 1nrw s TRP 60 Cb 0.07 -3.27 0.02 0.00 -1.15 0.00 0.00 33.47 29.14 1nrw s TRP 60 CO 0.15 -1.60 -0.04 0.08 0.02 0.00 0.00 176.95 175.56 1nrw s VAL 61 N -1.86 0.62 -0.25 4.03 1.01 -0.15 -1.14 120.40 122.66 1nrw s VAL 61 Ca 0.72 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 1nrw s VAL 61 Cb -0.23 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1nrw s VAL 61 CO 0.29 0.29 0.10 -0.63 0.00 0.00 0.00 175.10 175.15 1nrw s ILE 62 N 1.60 4.55 0.41 2.22 1.01 0.54 -1.06 121.20 130.47 1nrw s ILE 62 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1nrw s ILE 62 Cb -0.13 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1nrw s ILE 62 CO -0.04 0.32 0.07 -0.94 0.00 0.00 0.00 174.94 174.35 1nrw s SER 63 N 1.62 3.08 -1.49 3.58 1.04 0.27 -0.55 113.70 121.26 1nrw s SER 63 Ca 0.06 -1.56 -0.11 0.00 0.48 0.00 0.00 55.95 54.83 1nrw s SER 63 Cb -0.15 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.29 1nrw s SER 63 CO 0.05 -0.78 0.92 0.00 0.98 0.00 0.00 173.24 174.42 1nrw n ALA 64 N -0.93 -1.44 -2.63 5.32 0.00 0.22 -1.81 120.51 119.24 1nrw n ALA 64 Ca -0.08 0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 1nrw n ALA 64 Cb 0.66 -3.95 0.01 0.00 0.00 0.00 0.00 19.45 16.17 1nrw n ALA 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nrw n ASN 65 N -2.88 -5.66 0.00 0.00 5.15 -0.70 -2.28 115.26 108.89 1nrw n ASN 65 Ca -0.03 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1nrw n ASN 65 Cb 0.56 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.20 1nrw n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nrw n GLY 66 N -1.22 0.76 0.16 8.20 0.00 -0.75 -2.32 105.19 110.02 1nrw n GLY 66 Ca -0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1nrw n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nrw h ALA 67 N 0.00 0.76 -4.10 4.61 0.00 -1.07 -3.36 119.26 116.11 1nrw h ALA 67 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 54.91 54.22 1nrw h ALA 67 Cb 0.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 17.51 1nrw h ALA 67 CO 0.00 0.31 -0.80 0.08 0.00 0.00 0.00 179.25 178.85 1nrw s VAL 68 N -3.12 0.92 -0.05 0.00 1.01 -0.85 0.17 120.40 118.49 1nrw s VAL 68 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1nrw s VAL 68 Cb 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1nrw s VAL 68 CO 0.73 0.26 -0.07 -0.63 0.00 0.00 0.00 175.10 175.40 1nrw s ILE 69 N -0.23 0.69 0.10 2.22 1.01 -0.67 -0.56 121.20 123.76 1nrw s ILE 69 Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.52 1nrw s ILE 69 Cb -0.05 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1nrw s ILE 69 CO -0.00 0.25 -0.15 -1.00 0.00 0.00 0.00 174.94 174.04 1nrw s HIS 70 N 0.76 1.42 0.77 3.97 3.76 -0.22 -0.34 115.29 125.41 1nrw s HIS 70 Ca -0.12 -0.50 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 1nrw s HIS 70 Cb -0.14 -0.77 0.14 0.00 1.11 0.00 0.00 32.58 32.93 1nrw s HIS 70 CO 0.01 0.13 1.06 0.16 -0.85 0.00 0.00 174.74 175.25 1nrw s ASP 71 N -2.14 4.09 0.44 1.40 1.47 -0.03 -0.97 116.67 120.93 1nrw s ASP 71 Ca 0.05 -0.29 0.19 0.00 1.18 0.00 0.00 52.55 53.69 1nrw s ASP 71 Cb -0.07 -0.01 1.15 0.00 -0.34 0.00 0.00 42.92 43.65 1nrw s ASP 71 CO 0.03 -2.04 1.88 -0.65 0.68 0.00 0.00 175.17 175.07 1nrw h PRO 72 N -0.74 0.32 -0.23 2.11 0.11 -1.89 -0.49 132.00 131.19 1nrw h PRO 72 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1nrw h PRO 72 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nrw h PRO 72 CO 0.39 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 1nrw n GLU 73 N -4.46 1.88 -0.54 1.05 -0.58 -1.26 -4.43 120.64 112.30 1nrw n GLU 73 Ca 0.17 -1.33 0.00 0.00 -0.42 0.00 0.00 57.16 55.58 1nrw n GLU 73 Cb 0.69 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 1nrw n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nrw n GLY 74 N 1.19 0.72 3.74 0.62 0.00 -0.19 -5.04 105.19 106.22 1nrw n GLY 74 Ca 0.16 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1nrw n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nrw s ARG 75 N -0.57 4.62 0.08 1.61 0.52 -1.26 -4.75 118.95 119.19 1nrw s ARG 75 Ca 0.00 1.70 -0.30 0.00 -0.52 0.00 0.00 55.73 56.61 1nrw s ARG 75 Cb 0.00 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 32.14 1nrw s ARG 75 CO 0.00 0.11 1.12 -1.17 0.02 0.00 0.00 175.30 175.39 1nrw s LEU 76 N -0.48 4.40 -0.02 2.53 2.96 -1.26 -0.85 118.68 125.95 1nrw s LEU 76 Ca 0.48 1.95 0.07 0.00 -0.22 0.00 0.00 54.13 56.42 1nrw s LEU 76 Cb -0.29 -3.58 -0.11 0.00 0.50 0.00 0.00 46.19 42.70 1nrw s LEU 76 CO 0.35 -0.36 0.14 -1.22 -1.32 0.00 0.00 176.35 173.94 1nrw n TYR 77 N 3.54 0.00 -3.63 5.38 4.02 0.54 -4.94 117.16 122.07 1nrw n TYR 77 Ca 0.07 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.90 1nrw n TYR 77 Cb 0.47 -0.21 -0.06 0.00 -0.02 0.00 0.00 39.34 39.53 1nrw n TYR 77 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1nrw s HIS 78 N -2.46 -0.21 -0.07 -0.72 2.46 -1.09 -4.93 115.29 108.26 1nrw s HIS 78 Ca -0.03 0.44 -0.00 0.00 0.47 0.00 0.00 55.06 55.94 1nrw s HIS 78 Cb 0.04 0.45 0.02 0.00 -0.13 0.00 0.00 32.58 32.97 1nrw s HIS 78 CO 0.31 -0.15 -0.04 -1.01 -2.47 0.00 0.00 174.74 171.38 1nrw s HIS 79 N -0.50 0.95 -0.27 3.88 3.76 -1.25 -1.68 115.29 120.18 1nrw s HIS 79 Ca 0.05 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1nrw s HIS 79 Cb -0.03 -0.88 0.07 0.00 1.11 0.00 0.00 32.58 32.85 1nrw s HIS 79 CO -0.07 -0.32 -0.04 -2.00 -0.85 0.00 0.00 174.74 171.45 1nrw s GLU 80 N 1.45 1.77 0.32 1.40 2.56 0.13 -5.01 118.70 121.32 1nrw s GLU 80 Ca -0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 54.97 53.62 1nrw s GLU 80 Cb -0.13 -2.80 -0.04 0.00 2.00 0.00 0.00 34.13 33.16 1nrw s GLU 80 CO -0.03 -0.69 0.54 0.95 -0.56 0.00 0.00 175.26 175.47 1nrw s THR 81 N 1.19 5.10 -0.07 -1.70 -4.23 -1.26 -4.71 115.64 109.95 1nrw s THR 81 Ca -0.02 -0.33 -0.20 0.00 -1.18 0.00 0.00 61.69 59.95 1nrw s THR 81 Cb -0.19 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 1nrw s THR 81 CO -0.07 -0.48 0.57 -0.63 -0.54 0.00 0.00 174.62 173.47 1nrw s ILE 82 N -2.23 5.06 0.14 2.99 1.01 0.03 -4.69 121.20 123.51 1nrw s ILE 82 Ca 0.41 1.18 -0.34 0.00 0.00 0.00 0.00 60.65 61.89 1nrw s ILE 82 Cb -0.10 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 38.30 1nrw s ILE 82 CO 0.34 0.34 1.36 -0.67 0.00 0.00 0.00 174.94 176.31 1nrw n ASP 83 N 3.39 2.03 -0.28 3.58 -0.08 -1.26 -4.62 116.55 119.32 1nrw n ASP 83 Ca -0.05 1.12 0.10 0.00 -1.51 0.00 0.00 54.79 54.45 1nrw n ASP 83 Cb 0.51 -1.28 0.35 0.00 2.34 0.00 0.00 41.12 43.04 1nrw n ASP 83 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1nrw h LYS 84 N 4.53 0.74 -0.23 -0.67 1.57 -1.97 0.90 116.57 121.44 1nrw h LYS 84 Ca -0.46 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.15 1nrw h LYS 84 Cb 1.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1nrw h LYS 84 CO 0.78 0.49 -0.41 0.87 -0.57 0.00 0.00 179.45 180.61 1nrw h LYS 85 N 0.76 0.55 -0.25 3.15 1.57 -1.99 0.01 116.57 120.37 1nrw h LYS 85 Ca 0.44 -0.28 -0.16 0.00 -1.87 0.00 0.00 60.65 58.78 1nrw h LYS 85 Cb 0.62 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nrw h LYS 85 CO -0.21 0.86 -0.50 -0.09 -0.57 0.00 0.00 179.45 178.95 1nrw h ARG 86 N 0.45 0.70 -0.58 3.15 9.65 -1.62 -1.73 114.38 124.40 1nrw h ARG 86 Ca 0.04 -0.42 -0.06 0.00 -1.10 0.00 0.00 59.98 58.44 1nrw h ARG 86 Cb 0.91 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1nrw h ARG 86 CO 0.08 1.04 0.13 0.00 2.80 0.00 0.00 179.97 184.02 1nrw h ALA 87 N 0.89 0.77 -0.46 2.80 0.00 -0.62 -0.61 119.26 122.02 1nrw h ALA 87 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nrw h ALA 87 Cb 1.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1nrw h ALA 87 CO 0.10 0.49 0.31 -0.92 0.00 0.00 0.00 179.25 179.22 1nrw h TYR 88 N 0.85 0.58 -0.11 0.00 3.20 -0.85 -0.70 116.97 119.94 1nrw h TYR 88 Ca 0.18 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1nrw h TYR 88 Cb 0.36 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1nrw h TYR 88 CO 0.03 0.36 0.01 0.22 -1.64 0.00 0.00 178.16 177.14 1nrw h ASP 89 N 0.62 -0.02 -0.05 -2.11 1.82 -0.94 -0.37 116.42 115.38 1nrw h ASP 89 Ca 0.17 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1nrw h ASP 89 Cb -0.07 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 39.97 1nrw h ASP 89 CO -0.04 0.01 0.02 0.40 -1.61 0.00 0.00 179.24 178.02 1nrw h ILE 90 N 0.05 1.09 -0.58 2.25 2.04 -0.85 -2.25 117.51 119.25 1nrw h ILE 90 Ca 0.05 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1nrw h ILE 90 Cb 0.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1nrw h ILE 90 CO -0.07 0.07 0.03 -0.07 0.00 0.00 0.00 178.15 178.11 1nrw h LEU 91 N -0.03 0.94 -0.72 1.44 3.38 -1.05 -0.38 115.31 118.89 1nrw h LEU 91 Ca 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1nrw h LEU 91 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1nrw h LEU 91 CO -0.00 0.98 0.37 0.77 0.09 0.00 0.00 178.44 180.64 1nrw h SER 92 N 0.90 0.93 -0.05 -0.43 4.64 -1.00 -0.88 113.55 117.66 1nrw h SER 92 Ca 0.17 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 1nrw h SER 92 Cb 0.48 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1nrw h SER 92 CO 0.02 0.78 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.50 1nrw h TRP 93 N 1.01 0.11 -0.61 4.77 7.01 -1.08 -1.19 115.95 125.97 1nrw h TRP 93 Ca 0.25 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.26 1nrw h TRP 93 Cb 0.08 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 1nrw h TRP 93 CO 0.00 0.42 0.37 -0.07 -2.79 0.00 0.00 178.44 176.37 1nrw h LEU 94 N -0.23 0.59 -0.27 0.65 3.38 -0.92 -0.40 115.31 118.11 1nrw h LEU 94 Ca 0.01 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1nrw h LEU 94 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1nrw h LEU 94 CO 0.00 0.40 -0.22 -0.08 0.09 0.00 0.00 178.44 178.64 1nrw h GLU 95 N 0.71 0.62 0.00 1.13 4.81 -1.16 -1.10 114.58 119.59 1nrw h GLU 95 Ca 0.25 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1nrw h GLU 95 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1nrw h GLU 95 CO -0.12 0.91 -0.26 0.66 -0.73 0.00 0.00 179.01 179.47 1nrw h SER 96 N 0.35 0.00 -0.51 1.04 4.64 -1.00 -2.69 113.55 115.37 1nrw h SER 96 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nrw h SER 96 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1nrw h SER 96 CO 0.06 0.26 0.00 -0.62 -0.87 0.00 0.00 176.83 175.66 1nrw n GLU 97 N -3.85 2.40 -2.77 4.77 -0.58 -0.18 -4.95 120.64 115.48 1nrw n GLU 97 Ca -0.02 -1.93 -0.17 0.00 -0.42 0.00 0.00 57.16 54.62 1nrw n GLU 97 Cb 0.35 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1nrw n GLU 97 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nrw n ASN 98 N 0.97 -5.04 -4.87 1.62 3.02 -1.02 -5.02 115.26 104.93 1nrw n ASN 98 Ca 0.18 -0.19 -0.33 0.00 -0.03 0.00 0.00 54.58 54.20 1nrw n ASN 98 Cb 0.50 -3.93 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 1nrw n ASN 98 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nrw s TYR 99 N -3.00 3.52 0.40 3.10 2.02 -0.44 -5.00 117.35 117.95 1nrw s TYR 99 Ca 0.20 0.87 -0.22 0.00 -0.37 0.00 0.00 57.07 57.56 1nrw s TYR 99 Cb -0.09 -2.24 -0.11 0.00 -0.40 0.00 0.00 41.96 39.12 1nrw s TYR 99 CO 0.25 0.39 0.93 0.71 -1.57 0.00 0.00 175.55 176.26 1nrw s TYR 100 N -1.61 3.40 0.05 2.71 2.02 -0.42 -4.61 117.35 118.89 1nrw s TYR 100 Ca 0.41 1.62 -0.16 0.00 -0.37 0.00 0.00 57.07 58.57 1nrw s TYR 100 Cb -0.13 -2.84 0.03 0.00 -0.40 0.00 0.00 41.96 38.61 1nrw s TYR 100 CO 0.20 -0.03 0.35 1.52 -1.57 0.00 0.00 175.55 176.03 1nrw s TYR 101 N -2.04 -0.17 -0.03 2.71 -0.85 -1.26 -0.85 117.35 114.86 1nrw s TYR 101 Ca 0.59 0.05 0.02 0.00 -0.52 0.00 0.00 57.07 57.21 1nrw s TYR 101 Cb -0.11 0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.39 1nrw s TYR 101 CO 0.16 -0.55 -0.06 -1.21 -1.52 0.00 0.00 175.55 172.36 1nrw s GLU 102 N -2.67 0.81 -0.32 -3.49 2.02 -0.59 -4.44 118.70 110.03 1nrw s GLU 102 Ca -0.04 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.70 1nrw s GLU 102 Cb -0.00 -0.78 0.04 0.00 0.10 0.00 0.00 34.13 33.49 1nrw s GLU 102 CO -0.04 0.03 0.06 0.08 0.02 0.00 0.00 175.26 175.41 1nrw s VAL 103 N 0.42 3.44 -0.28 2.63 1.01 0.56 -1.28 120.40 126.90 1nrw s VAL 103 Ca -0.06 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.44 1nrw s VAL 103 Cb -0.10 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1nrw s VAL 103 CO 0.00 -0.14 0.90 -0.36 0.00 0.00 0.00 175.10 175.51 1nrw s PHE 104 N 1.34 3.24 0.01 5.22 0.08 0.03 -1.03 117.98 126.88 1nrw s PHE 104 Ca -0.03 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1nrw s PHE 104 Cb -0.20 -3.28 -0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1nrw s PHE 104 CO 0.01 -0.55 0.00 0.25 -0.10 0.00 0.00 175.22 174.84 1nrw n THR 105 N 5.49 0.00 0.01 0.64 -2.24 -0.86 -1.24 114.28 116.09 1nrw n THR 105 Ca 0.07 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1nrw n THR 105 Cb 0.47 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.63 1nrw n THR 105 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1nrw h GLY 106 N 0.04 -0.10 0.72 3.38 0.00 -1.96 -3.37 103.07 101.79 1nrw h GLY 106 Ca -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1nrw h GLY 106 CO 0.02 -0.04 0.00 1.48 0.00 0.00 0.00 176.54 178.00 1nrw h SER 107 N -0.68 0.08 -1.16 0.19 4.64 -1.95 -3.49 113.55 111.18 1nrw h SER 107 Ca -0.01 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1nrw h SER 107 Cb 0.56 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1nrw h SER 107 CO 0.02 0.37 0.08 0.00 -0.87 0.00 0.00 176.83 176.43 1nrw n ALA 108 N -2.27 -0.43 -3.19 5.18 0.00 -1.26 -5.11 120.51 113.43 1nrw n ALA 108 Ca -0.07 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1nrw n ALA 108 Cb 0.18 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 1nrw n ALA 108 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nrw s ILE 109 N -2.65 4.18 0.19 0.00 1.01 -1.13 -2.02 121.20 120.77 1nrw s ILE 109 Ca 0.04 -1.25 -0.26 0.00 0.00 0.00 0.00 60.65 59.18 1nrw s ILE 109 Cb -0.01 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 1nrw s ILE 109 CO 0.02 -0.39 0.81 -0.31 0.00 0.00 0.00 174.94 175.06 1nrw s TYR 110 N 1.44 3.90 -0.15 3.97 2.02 -0.20 -1.02 117.35 127.31 1nrw s TYR 110 Ca 0.02 1.67 -0.29 0.00 -0.37 0.00 0.00 57.07 58.10 1nrw s TYR 110 Cb -0.21 -2.80 0.10 0.00 -0.40 0.00 0.00 41.96 38.64 1nrw s TYR 110 CO 0.03 0.48 0.83 -0.08 -1.57 0.00 0.00 175.55 175.25 1nrw s THR 111 N -1.20 0.00 -2.12 -0.71 -1.32 -0.58 -0.32 115.64 109.40 1nrw s THR 111 Ca 0.38 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.10 1nrw s THR 111 Cb -0.23 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.93 1nrw s THR 111 CO 0.27 0.00 1.34 -0.81 -2.21 0.00 0.00 174.62 173.21 1nrw n PRO 112 N 1.29 1.28 -2.00 7.08 -0.04 -1.25 -2.08 135.00 139.28 1nrw n PRO 112 Ca -0.15 -0.95 -0.33 0.00 -0.04 0.00 0.00 63.50 62.03 1nrw n PRO 112 Cb 0.57 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.57 1nrw n PRO 112 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nrw s GLN 113 N -2.37 3.19 0.75 0.54 1.11 -1.26 -4.88 119.66 116.73 1nrw s GLN 113 Ca 0.24 1.30 -0.01 0.00 0.01 0.00 0.00 55.36 56.90 1nrw s GLN 113 Cb 0.19 -2.01 0.14 0.00 -1.01 0.00 0.00 33.01 30.33 1nrw s GLN 113 CO 0.49 -0.93 1.03 0.54 0.01 0.00 0.00 175.29 176.44 1nrw s ASN 114 N -2.60 4.18 0.18 5.90 2.20 -1.26 -4.85 114.94 118.69 1nrw s ASN 114 Ca 0.65 -0.45 -0.13 0.00 -0.94 0.00 0.00 52.86 51.99 1nrw s ASN 114 Cb -0.18 0.17 0.16 0.00 -2.00 0.00 0.00 41.25 39.40 1nrw s ASN 114 CO 0.37 -1.99 1.75 1.23 -2.94 0.00 0.00 177.10 175.52 1nrw h GLY 115 N -0.62 0.64 1.00 0.45 0.00 -1.99 -0.73 103.07 101.83 1nrw h GLY 115 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nrw h GLY 115 CO 0.38 0.01 0.34 -0.09 0.00 0.00 0.00 176.54 177.18 1nrw h ARG 116 N 0.35 0.69 -0.51 4.80 9.65 -1.99 -0.17 114.38 127.20 1nrw h ARG 116 Ca 0.23 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 59.00 1nrw h ARG 116 Cb 0.24 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 1nrw h ARG 116 CO -0.24 0.47 0.08 0.93 2.80 0.00 0.00 179.97 184.01 1nrw h GLU 117 N 0.71 0.85 -0.28 0.20 5.08 -1.86 -1.26 114.58 118.02 1nrw h GLU 117 Ca 0.19 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1nrw h GLU 117 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1nrw h GLU 117 CO -0.04 0.84 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.53 1nrw h LEU 118 N 0.73 0.51 -0.79 1.33 3.38 -0.91 -2.28 115.31 117.28 1nrw h LEU 118 Ca 0.15 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1nrw h LEU 118 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1nrw h LEU 118 CO 0.01 0.72 -0.34 0.25 0.09 0.00 0.00 178.44 179.17 1nrw h LEU 119 N 0.46 0.54 -0.95 1.67 5.85 -0.75 -1.94 115.31 120.19 1nrw h LEU 119 Ca 0.07 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1nrw h LEU 119 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1nrw h LEU 119 CO 0.04 0.84 0.10 0.44 -0.34 0.00 0.00 178.44 179.52 1nrw h ASP 120 N 0.44 0.81 -0.38 1.25 3.32 -0.73 0.30 116.42 121.44 1nrw h ASP 120 Ca 0.05 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1nrw h ASP 120 Cb 0.80 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1nrw h ASP 120 CO 0.07 0.82 0.13 0.58 -1.72 0.00 0.00 179.24 179.11 1nrw h VAL 121 N 0.83 1.21 -0.29 -1.35 2.07 -1.09 -1.81 116.25 115.81 1nrw h VAL 121 Ca 0.17 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nrw h VAL 121 Cb 0.35 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1nrw h VAL 121 CO 0.00 0.24 0.15 -0.08 0.02 0.00 0.00 177.57 177.90 1nrw h GLU 122 N 0.46 0.41 -0.60 1.57 4.57 -0.84 -2.58 114.58 117.57 1nrw h GLU 122 Ca 0.12 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1nrw h GLU 122 Cb 0.24 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1nrw h GLU 122 CO -0.01 0.37 0.38 1.25 -1.18 0.00 0.00 179.01 179.83 1nrw h LEU 123 N 0.35 0.70 -1.09 1.64 5.85 -0.32 -0.96 115.31 121.48 1nrw h LEU 123 Ca 0.10 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1nrw h LEU 123 Cb 0.09 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1nrw h LEU 123 CO -0.01 0.52 0.15 -0.78 -0.34 0.00 0.00 178.44 177.97 1nrw h ASP 124 N 0.82 0.73 0.02 1.25 3.58 -0.95 -0.03 116.42 121.84 1nrw h ASP 124 Ca 0.22 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1nrw h ASP 124 Cb -0.07 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.79 1nrw h ASP 124 CO -0.04 0.71 -0.01 0.03 -2.88 0.00 0.00 179.24 177.05 1nrw h ARG 125 N 0.77 -0.02 0.15 0.28 3.08 -0.90 -0.95 114.38 116.78 1nrw h ARG 125 Ca 0.17 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.23 1nrw h ARG 125 Cb 0.26 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1nrw h ARG 125 CO -0.01 0.11 -0.17 0.74 -1.07 0.00 0.00 179.97 179.57 1nrw h PHE 126 N -0.16 -0.46 -0.36 3.04 -1.00 -1.05 -2.30 116.94 114.65 1nrw h PHE 126 Ca -0.00 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1nrw h PHE 126 Cb 0.15 0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 1nrw h PHE 126 CO -0.03 -0.26 0.05 0.00 -1.61 0.00 0.00 178.31 176.45 1nrw h ARG 127 N -0.36 0.54 -0.23 1.51 3.08 -0.99 -1.65 114.38 116.27 1nrw h ARG 127 Ca 0.01 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1nrw h ARG 127 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1nrw h ARG 127 CO -0.06 0.53 -0.47 0.77 -1.07 0.00 0.00 179.97 179.67 1nrw h SER 128 N 0.53 0.66 -0.07 7.04 0.02 -1.01 -1.69 113.55 119.02 1nrw h SER 128 Ca 0.12 -0.32 -0.20 0.00 -0.84 0.00 0.00 61.79 60.55 1nrw h SER 128 Cb 0.27 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1nrw h SER 128 CO 0.00 1.02 -0.72 0.00 -1.14 0.00 0.00 176.83 176.00 1nrw h ALA 129 N 1.00 0.43 -2.27 3.77 0.00 -1.17 -3.38 119.26 117.64 1nrw h ALA 129 Ca 0.03 -0.58 -0.58 0.00 0.00 0.00 0.00 54.91 53.77 1nrw h ALA 129 Cb 1.00 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.35 1nrw h ALA 129 CO 0.09 0.70 -0.89 0.09 0.00 0.00 0.00 179.25 179.25 1nrw n ASN 130 N -3.93 1.24 0.28 0.00 4.13 -0.64 -4.83 115.26 111.51 1nrw n ASN 130 Ca -0.06 -2.86 0.18 0.00 1.68 0.00 0.00 54.58 53.52 1nrw n ASN 130 Cb 0.71 -0.64 0.97 0.00 -1.54 0.00 0.00 39.78 39.28 1nrw n ASN 130 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1nrw h PRO 131 N 4.59 0.00 -0.00 3.52 0.11 -1.50 -1.61 132.00 137.12 1nrw h PRO 131 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1nrw h PRO 131 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1nrw h PRO 131 CO 0.56 0.00 -0.22 -0.85 -0.21 0.00 0.00 178.00 177.28 1nrw n GLU 132 N -3.49 0.25 -2.51 1.05 0.00 -1.26 -4.93 120.64 109.74 1nrw n GLU 132 Ca -0.01 -0.10 -0.34 0.00 0.00 0.00 0.00 57.16 56.71 1nrw n GLU 132 Cb 0.20 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 1nrw n GLU 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nrw s ALA 133 N -2.82 2.88 0.11 -1.84 0.00 -0.60 -4.98 121.76 114.51 1nrw s ALA 133 Ca 0.18 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.37 1nrw s ALA 133 Cb 0.19 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1nrw s ALA 133 CO 0.57 -0.31 1.63 0.34 0.00 0.00 0.00 175.76 177.99 1nrw s ASP 134 N -2.14 6.59 0.40 0.00 -1.08 -1.26 -4.89 116.67 114.29 1nrw s ASP 134 Ca 0.66 2.55 0.13 0.00 -0.52 0.00 0.00 52.55 55.37 1nrw s ASP 134 Cb -0.15 -2.57 0.97 0.00 -1.46 0.00 0.00 42.92 39.70 1nrw s ASP 134 CO 0.21 -0.87 1.91 0.25 0.52 0.00 0.00 175.17 177.20 1nrw h LEU 135 N 7.92 0.48 -0.49 -1.34 7.12 -1.97 -1.73 115.31 125.30 1nrw h LEU 135 Ca -0.43 0.02 -0.15 0.00 0.13 0.00 0.00 57.88 57.46 1nrw h LEU 135 Cb 1.20 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1nrw h LEU 135 CO 0.92 0.25 -0.39 0.77 -0.13 0.00 0.00 178.44 179.87 1nrw h SER 136 N 0.51 0.87 -0.43 1.25 4.64 -1.99 -0.48 113.55 117.91 1nrw h SER 136 Ca 0.38 -0.40 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1nrw h SER 136 Cb 0.75 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1nrw h SER 136 CO -0.14 1.15 0.03 0.58 -0.87 0.00 0.00 176.83 177.59 1nrw h VAL 137 N 0.67 1.25 -0.58 0.95 2.07 -1.73 -1.87 116.25 117.01 1nrw h VAL 137 Ca 0.05 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1nrw h VAL 137 Cb 0.96 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1nrw h VAL 137 CO 0.09 0.34 0.14 -0.07 0.02 0.00 0.00 177.57 178.08 1nrw h LEU 138 N 0.59 0.89 -0.31 2.57 3.38 -1.25 -2.29 115.31 118.89 1nrw h LEU 138 Ca 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1nrw h LEU 138 Cb 0.45 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nrw h LEU 138 CO 0.02 0.89 0.06 0.50 0.09 0.00 0.00 178.44 179.99 1nrw h LYS 139 N 0.84 0.51 -0.71 1.13 3.64 -0.99 0.11 116.57 121.10 1nrw h LYS 139 Ca 0.18 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1nrw h LYS 139 Cb 0.35 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1nrw h LYS 139 CO 0.00 0.60 0.45 0.37 -2.27 0.00 0.00 179.45 178.60 1nrw h GLN 140 N 0.34 0.85 -0.35 1.90 4.15 -1.28 -0.39 115.11 120.34 1nrw h GLN 140 Ca 0.10 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.32 1nrw h GLN 140 Cb 0.33 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1nrw h GLN 140 CO 0.01 0.56 -0.35 0.00 -1.93 0.00 0.00 178.83 177.11 1nrw h ALA 141 N 1.30 0.72 -0.36 3.38 0.00 -1.26 -2.40 119.26 120.64 1nrw h ALA 141 Ca 0.28 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1nrw h ALA 141 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1nrw h ALA 141 CO -0.11 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.88 1nrw h ALA 142 N 0.93 1.45 -0.29 0.00 0.00 -0.10 -0.38 119.26 120.87 1nrw h ALA 142 Ca 0.06 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1nrw h ALA 142 Cb 0.91 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1nrw h ALA 142 CO 0.08 0.40 -0.36 0.93 0.00 0.00 0.00 179.25 180.31 1nrw h GLU 143 N 0.52 0.76 -0.65 0.00 5.08 -0.90 -0.70 114.58 118.69 1nrw h GLU 143 Ca 0.12 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1nrw h GLU 143 Cb 0.23 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1nrw h GLU 143 CO -0.00 1.05 0.34 0.28 -1.00 0.00 0.00 179.01 179.68 1nrw h VAL 144 N 0.51 1.21 -0.15 3.13 2.07 -0.93 -0.57 116.25 121.53 1nrw h VAL 144 Ca 0.04 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1nrw h VAL 144 Cb 0.94 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1nrw h VAL 144 CO 0.08 0.24 0.05 -0.61 0.02 0.00 0.00 177.57 177.35 1nrw h GLN 145 N 0.89 0.12 -0.65 1.57 5.75 -0.92 -2.49 115.11 119.38 1nrw h GLN 145 Ca 0.23 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.71 1nrw h GLN 145 Cb 0.07 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1nrw h GLN 145 CO -0.03 0.08 0.35 -0.92 -2.65 0.00 0.00 178.83 175.65 1nrw h TYR 146 N 0.12 0.89 0.00 3.99 3.20 -0.79 -2.01 116.97 122.37 1nrw h TYR 146 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1nrw h TYR 146 Cb 0.04 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1nrw h TYR 146 CO -0.11 0.63 0.00 0.66 -1.64 0.00 0.00 178.16 177.70 1nrw h SER 147 N 0.91 0.00 -0.36 -2.11 4.64 -0.64 -0.15 113.55 115.83 1nrw h SER 147 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nrw h SER 147 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1nrw h SER 147 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 1nrw n GLN 148 N -2.70 2.95 -1.26 4.77 1.13 -0.77 -5.02 117.38 116.49 1nrw n GLN 148 Ca -0.02 -2.34 -0.30 0.00 -1.94 0.00 0.00 57.00 52.41 1nrw n GLN 148 Cb 0.10 -1.47 0.12 0.00 0.11 0.00 0.00 30.24 29.10 1nrw n GLN 148 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1nrw s SER 149 N -1.22 3.85 -0.41 1.08 1.04 -0.07 -5.00 113.70 112.96 1nrw s SER 149 Ca 0.31 1.55 0.10 0.00 0.48 0.00 0.00 55.95 58.39 1nrw s SER 149 Cb 0.20 -2.24 0.42 0.00 0.10 0.00 0.00 66.02 64.49 1nrw s SER 149 CO 0.15 -2.41 1.01 0.61 0.98 0.00 0.00 173.24 173.59 1nrw n GLY 150 N -1.26 4.37 3.85 7.32 0.00 -1.26 -5.08 105.19 113.12 1nrw n GLY 150 Ca 0.07 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 1nrw n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nrw s PHE 151 N -3.32 3.41 -0.09 1.61 0.08 -1.26 -2.86 117.98 115.55 1nrw s PHE 151 Ca 0.41 1.35 0.01 0.00 0.12 0.00 0.00 56.93 58.82 1nrw s PHE 151 Cb 0.40 -2.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1nrw s PHE 151 CO -0.10 -0.15 -0.10 0.00 -0.10 0.00 0.00 175.22 174.76 1nrw s ALA 152 N -2.33 1.32 0.29 5.36 0.00 -0.19 -4.88 121.76 121.33 1nrw s ALA 152 Ca 0.57 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.74 1nrw s ALA 152 Cb -0.10 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 22.16 1nrw s ALA 152 CO 0.24 -0.18 0.95 -0.47 0.00 0.00 0.00 175.76 176.31 1nrw s TYR 153 N 1.23 3.80 0.01 0.00 5.04 -1.26 -1.52 117.35 124.65 1nrw s TYR 153 Ca -0.04 1.83 0.01 0.00 -2.44 0.00 0.00 57.07 56.43 1nrw s TYR 153 Cb -0.14 -2.97 -0.01 0.00 0.35 0.00 0.00 41.96 39.18 1nrw s TYR 153 CO -0.03 0.25 -0.03 0.96 -1.34 0.00 0.00 175.55 175.36 1nrw s ILE 154 N -1.40 0.20 0.13 3.14 -4.36 -0.88 -4.88 121.20 113.15 1nrw s ILE 154 Ca 0.46 -0.51 -0.02 0.00 -0.26 0.00 0.00 60.65 60.32 1nrw s ILE 154 Cb -0.23 -0.25 -0.18 0.00 1.25 0.00 0.00 42.46 43.05 1nrw s ILE 154 CO 0.28 -0.20 1.31 0.78 0.24 0.00 0.00 174.94 177.35 1nrw h ASN 155 N 5.38 0.44 -5.01 4.36 2.35 -1.93 -3.31 115.58 117.85 1nrw h ASN 155 Ca -0.29 -0.37 -0.09 0.00 -0.55 0.00 0.00 56.30 55.00 1nrw h ASN 155 Cb 1.21 -0.14 -0.18 0.00 0.05 0.00 0.00 38.32 39.25 1nrw h ASN 155 CO 0.46 1.18 -0.15 -0.55 -1.65 0.00 0.00 177.43 176.71 1nrw s SER 156 N -7.04 -0.28 0.63 5.81 0.15 -1.26 -4.95 113.70 106.76 1nrw s SER 156 Ca -0.05 0.12 0.35 0.00 0.70 0.00 0.00 55.95 57.07 1nrw s SER 156 Cb 0.09 0.38 2.00 0.00 -1.71 0.00 0.00 66.02 66.78 1nrw s SER 156 CO 0.86 -0.55 2.23 2.19 1.20 0.00 0.00 173.24 179.16 1nrw h PHE 157 N 3.41 0.00 -0.92 3.44 -5.15 -1.92 -1.69 116.94 114.11 1nrw h PHE 157 Ca -0.30 0.00 0.17 0.00 -0.20 0.00 0.00 57.97 57.64 1nrw h PHE 157 Cb 1.18 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 37.28 1nrw h PHE 157 CO 0.46 0.00 0.59 0.37 -2.00 0.00 0.00 178.31 177.73 1nrw h GLN 158 N 0.00 0.59 0.00 6.09 5.75 -1.97 -0.36 115.11 125.21 1nrw h GLN 158 Ca 0.02 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1nrw h GLN 158 Cb 0.18 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1nrw h GLN 158 CO -0.00 0.39 0.00 0.93 -2.65 0.00 0.00 178.83 177.50 1nrw h GLU 159 N 0.61 0.00 -0.01 1.69 5.08 -1.71 -0.99 114.58 119.25 1nrw h GLU 159 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1nrw h GLU 159 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1nrw h GLU 159 CO -0.23 0.00 -0.04 1.28 -1.00 0.00 0.00 179.01 179.01 1nrw n LEU 160 N -3.04 0.55 0.00 1.33 4.77 -0.15 -4.05 117.00 116.43 1nrw n LEU 160 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1nrw n LEU 160 Cb 0.07 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1nrw n LEU 160 CO 0.20 0.10 -0.37 0.49 -1.33 0.00 0.00 177.39 176.47 1nrw n PHE 161 N -0.71 0.00 0.30 -1.77 3.72 -0.44 -4.77 117.46 113.80 1nrw n PHE 161 Ca 0.19 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.55 1nrw n PHE 161 Cb 0.24 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.88 1nrw n PHE 161 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1nrw n GLU 162 N -1.35 1.84 -4.61 -1.08 0.28 -0.84 -4.85 120.64 110.03 1nrw n GLU 162 Ca 0.00 -1.04 -0.23 0.00 -0.16 0.00 0.00 57.16 55.73 1nrw n GLU 162 Cb 0.18 -1.57 -0.14 0.00 1.43 0.00 0.00 31.44 31.34 1nrw n GLU 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nrw s ALA 163 N -1.34 1.41 -0.69 -1.84 0.00 -1.26 -5.04 121.76 113.00 1nrw s ALA 163 Ca 0.19 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 1nrw s ALA 163 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1nrw s ALA 163 CO 0.04 0.32 2.91 -3.47 0.00 0.00 0.00 175.76 175.56 1nrw n ASP 164 N 2.23 6.82 -4.02 0.00 2.03 -1.26 -4.86 116.55 117.49 1nrw n ASP 164 Ca -0.16 -2.95 -0.18 0.00 0.52 0.00 0.00 54.79 52.02 1nrw n ASP 164 Cb 0.54 -1.35 -0.15 0.00 -0.72 0.00 0.00 41.12 39.45 1nrw n ASP 164 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1nrw s GLU 165 N -0.49 0.70 0.16 -0.67 8.01 -1.26 -5.12 118.70 120.04 1nrw s GLU 165 Ca 0.61 -0.31 -0.32 0.00 0.01 0.00 0.00 54.97 54.97 1nrw s GLU 165 Cb 0.30 -0.68 -0.11 0.00 -4.31 0.00 0.00 34.13 29.33 1nrw s GLU 165 CO -0.12 0.18 1.79 -2.30 0.01 0.00 0.00 175.26 174.82 1nrw n PRO 166 N 2.88 2.78 -3.52 0.39 -0.02 -1.26 -4.99 135.00 131.26 1nrw n PRO 166 Ca -0.13 1.01 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1nrw n PRO 166 Cb 0.57 -2.88 -0.11 0.00 -0.02 0.00 0.00 33.50 31.06 1nrw n PRO 166 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1nrw s ILE 167 N 2.06 -0.51 -0.08 4.25 2.07 -1.26 -5.02 121.20 122.70 1nrw s ILE 167 Ca 0.79 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 60.02 1nrw s ILE 167 Cb -0.50 -0.66 -0.04 0.00 0.13 0.00 0.00 42.46 41.39 1nrw s ILE 167 CO 0.35 -0.04 0.18 -1.81 -1.91 0.00 0.00 174.94 171.71 1nrw s ASP 168 N 2.48 6.44 -0.29 4.50 1.01 -1.26 -5.06 116.67 124.48 1nrw s ASP 168 Ca 0.06 0.51 -0.10 0.00 0.71 0.00 0.00 52.55 53.73 1nrw s ASP 168 Cb -0.14 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1nrw s ASP 168 CO -0.13 0.37 0.15 -0.36 0.21 0.00 0.00 175.17 175.42 1nrw s PHE 169 N -1.09 3.17 -0.23 4.23 0.08 -1.26 -3.92 117.98 118.95 1nrw s PHE 169 Ca 0.18 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 56.87 1nrw s PHE 169 Cb -0.13 -2.35 -0.12 0.00 -0.57 0.00 0.00 43.02 39.85 1nrw s PHE 169 CO 0.08 -0.35 -0.25 0.66 -0.10 0.00 0.00 175.22 175.26 1nrw n TYR 170 N 5.00 0.00 -3.73 0.36 4.01 -0.37 -0.79 117.16 121.63 1nrw n TYR 170 Ca -0.14 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.46 1nrw n TYR 170 Cb 0.50 -0.85 -0.10 0.00 -0.31 0.00 0.00 39.34 38.59 1nrw n TYR 170 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nrw s ASN 171 N -6.61 -0.40 -0.14 7.72 2.47 -1.17 -4.37 114.94 112.44 1nrw s ASN 171 Ca -0.31 0.72 0.01 0.00 0.42 0.00 0.00 52.86 53.69 1nrw s ASN 171 Cb 0.10 0.75 0.02 0.00 -1.45 0.00 0.00 41.25 40.68 1nrw s ASN 171 CO 0.46 -0.19 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.87 1nrw s ILE 172 N -0.03 1.59 -0.19 -5.21 1.01 0.04 -0.79 121.20 117.63 1nrw s ILE 172 Ca -0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1nrw s ILE 172 Cb -0.03 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.91 1nrw s ILE 172 CO 0.01 0.46 0.13 -0.22 0.00 0.00 0.00 174.94 175.32 1nrw s LEU 173 N 1.42 4.22 -0.02 2.97 0.20 -0.41 -0.39 118.68 126.67 1nrw s LEU 173 Ca 0.04 0.26 0.06 0.00 0.69 0.00 0.00 54.13 55.17 1nrw s LEU 173 Cb -0.13 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 1nrw s LEU 173 CO -0.10 0.22 -0.19 -0.83 -0.29 0.00 0.00 176.35 175.16 1nrw s GLY 174 N 0.14 1.46 0.01 7.98 0.00 0.11 -1.54 107.32 115.50 1nrw s GLY 174 Ca 0.09 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1nrw s GLY 174 CO -0.01 -0.89 -0.02 -0.12 0.00 0.00 0.00 173.10 172.06 1nrw s PHE 175 N -0.74 0.16 -0.23 1.90 5.36 -0.03 -1.50 117.98 122.90 1nrw s PHE 175 Ca 0.12 -0.27 -0.20 0.00 -0.96 0.00 0.00 56.93 55.61 1nrw s PHE 175 Cb -0.10 -0.11 0.06 0.00 -0.34 0.00 0.00 43.02 42.52 1nrw s PHE 175 CO 0.01 -0.09 0.60 0.45 -1.46 0.00 0.00 175.22 174.73 1nrw s SER 176 N -0.75 -0.64 0.45 6.13 0.15 -0.83 -1.30 113.70 116.91 1nrw s SER 176 Ca -0.08 1.22 0.29 0.00 0.70 0.00 0.00 55.95 58.08 1nrw s SER 176 Cb -0.05 1.23 1.03 0.00 -1.71 0.00 0.00 66.02 66.52 1nrw s SER 176 CO -0.00 -0.21 1.84 -0.26 1.20 0.00 0.00 173.24 175.81 1nrw h PHE 177 N 5.34 0.00 -3.58 3.44 0.04 -1.97 -3.44 116.94 116.76 1nrw h PHE 177 Ca -0.29 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.87 1nrw h PHE 177 Cb 1.17 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.19 1nrw h PHE 177 CO 0.37 0.00 -0.24 -0.06 -0.60 0.00 0.00 178.31 177.78 1nrw s PHE 178 N -3.47 3.32 0.27 -0.55 0.08 -1.26 -4.98 117.98 111.39 1nrw s PHE 178 Ca 0.04 0.50 -0.00 0.00 0.12 0.00 0.00 56.93 57.58 1nrw s PHE 178 Cb 0.08 -2.52 0.56 0.00 -0.57 0.00 0.00 43.02 40.58 1nrw s PHE 178 CO 0.55 -0.09 1.75 -0.22 -0.10 0.00 0.00 175.22 177.11 1nrw h LYS 179 N 7.69 0.55 -0.96 0.44 3.64 -1.99 -0.93 116.57 125.02 1nrw h LYS 179 Ca -0.34 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 1nrw h LYS 179 Cb 1.16 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1nrw h LYS 179 CO 0.68 0.36 0.64 0.93 -2.27 0.00 0.00 179.45 179.79 1nrw h GLU 180 N 0.57 1.26 -0.35 1.90 3.07 -1.98 -0.60 114.58 118.45 1nrw h GLU 180 Ca 0.48 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 59.11 1nrw h GLU 180 Cb 0.73 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1nrw h GLU 180 CO -0.40 0.84 -0.38 0.87 -1.40 0.00 0.00 179.01 178.54 1nrw h LYS 181 N 1.30 0.83 -0.51 2.33 1.79 -1.61 -1.89 116.57 118.80 1nrw h LYS 181 Ca 0.35 -0.43 -0.05 0.00 -2.18 0.00 0.00 60.65 58.34 1nrw h LYS 181 Cb -0.15 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.49 1nrw h LYS 181 CO -0.08 1.06 0.10 -0.07 -1.08 0.00 0.00 179.45 179.39 1nrw h LEU 182 N 0.68 0.79 -0.71 2.94 3.38 -0.83 -1.42 115.31 120.13 1nrw h LEU 182 Ca 0.06 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 1nrw h LEU 182 Cb 0.95 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1nrw h LEU 182 CO 0.09 0.83 0.04 -0.33 0.09 0.00 0.00 178.44 179.16 1nrw h GLU 183 N 0.71 1.03 -0.78 1.13 5.08 -1.05 -1.93 114.58 118.77 1nrw h GLU 183 Ca 0.16 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1nrw h GLU 183 Cb 0.36 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1nrw h GLU 183 CO 0.01 0.98 0.36 0.00 -1.00 0.00 0.00 179.01 179.36 1nrw h ALA 184 N 1.08 1.00 -0.50 3.43 0.00 -1.10 -0.29 119.26 122.89 1nrw h ALA 184 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nrw h ALA 184 Cb 0.49 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nrw h ALA 184 CO 0.02 0.58 0.04 0.78 0.00 0.00 0.00 179.25 180.67 1nrw h GLY 185 N 1.10 0.92 0.91 0.00 0.00 -1.03 -2.03 103.07 102.93 1nrw h GLY 185 Ca 0.27 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 1nrw h GLY 185 CO -0.03 0.60 0.10 -0.25 0.00 0.00 0.00 176.54 176.96 1nrw h TRP 186 N 0.72 0.49 -0.57 5.60 2.91 -1.00 -2.83 115.95 121.27 1nrw h TRP 186 Ca 0.15 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 1nrw h TRP 186 Cb 0.46 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 1nrw h TRP 186 CO 0.03 0.50 0.30 0.87 -1.03 0.00 0.00 178.44 179.11 1nrw h LYS 187 N 0.34 0.78 -0.28 2.65 1.57 -0.99 0.72 116.57 121.36 1nrw h LYS 187 Ca 0.10 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1nrw h LYS 187 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1nrw h LYS 187 CO -0.00 0.58 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.19 1nrw h ARG 188 N 0.79 0.51 -0.00 3.15 2.43 -1.13 -3.34 114.38 116.79 1nrw h ARG 188 Ca 0.20 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nrw h ARG 188 Cb 0.03 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1nrw h ARG 188 CO -0.03 0.67 -0.15 0.66 -1.51 0.00 0.00 179.97 179.61 1nrw n TYR 189 N -4.16 0.00 0.32 2.20 4.01 -1.09 -4.68 117.16 113.76 1nrw n TYR 189 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.93 1nrw n TYR 189 Cb 0.36 0.00 1.05 0.00 -0.31 0.00 0.00 39.34 40.44 1nrw n TYR 189 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1nrw h GLU 190 N 0.54 0.00 -0.18 -0.72 4.11 -0.98 -1.89 114.58 115.45 1nrw h GLU 190 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nrw h GLU 190 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1nrw h GLU 190 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 1nrw n HIS 191 N -3.53 0.23 -2.23 2.06 8.25 -1.26 -4.94 115.22 113.80 1nrw n HIS 191 Ca -0.03 -0.17 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 1nrw n HIS 191 Cb 0.08 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 1nrw n HIS 191 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nrw s ALA 192 N -1.22 2.91 -0.76 -1.41 0.00 -0.71 -4.87 121.76 115.70 1nrw s ALA 192 Ca 0.24 -0.13 0.22 0.00 0.00 0.00 0.00 51.96 52.28 1nrw s ALA 192 Cb 0.15 -4.00 0.87 0.00 0.00 0.00 0.00 23.12 20.13 1nrw s ALA 192 CO 0.21 -2.62 1.66 0.39 0.00 0.00 0.00 175.76 175.40 1nrw n GLU 193 N 8.32 0.11 -0.10 0.00 1.02 -1.26 -2.47 120.64 126.26 1nrw n GLU 193 Ca 0.18 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.72 1nrw n GLU 193 Cb 0.48 -1.69 0.28 0.00 -0.02 0.00 0.00 31.44 30.50 1nrw n GLU 193 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1nrw n ASP 194 N -1.89 2.56 -4.26 1.62 5.75 -1.26 -4.77 116.55 114.29 1nrw n ASP 194 Ca 0.04 -1.85 -0.14 0.00 -0.01 0.00 0.00 54.79 52.83 1nrw n ASP 194 Cb 0.25 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.11 1nrw n ASP 194 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1nrw s LEU 195 N -1.65 2.29 -0.17 -2.12 1.43 -1.03 -1.79 118.68 115.65 1nrw s LEU 195 Ca 0.35 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1nrw s LEU 195 Cb 0.20 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 46.22 1nrw s LEU 195 CO 0.30 -0.48 -0.12 -0.89 0.23 0.00 0.00 176.35 175.39 1nrw s THR 196 N -3.49 2.94 -0.18 5.49 2.01 0.35 -4.40 115.64 118.35 1nrw s THR 196 Ca 0.22 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 1nrw s THR 196 Cb 0.05 -2.27 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1nrw s THR 196 CO 0.03 0.49 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.13 1nrw s LEU 197 N 0.89 2.63 0.00 4.42 2.96 -1.26 -2.03 118.68 126.28 1nrw s LEU 197 Ca -0.03 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1nrw s LEU 197 Cb -0.15 -1.63 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 1nrw s LEU 197 CO -0.00 0.04 0.19 1.33 -1.32 0.00 0.00 176.35 176.59 1nrw n VAL 198 N 4.38 0.00 -3.83 1.68 0.24 -0.68 -4.98 118.33 115.14 1nrw n VAL 198 Ca -0.19 -1.23 -0.12 0.00 -2.04 0.00 0.00 64.34 60.76 1nrw n VAL 198 Cb 0.51 0.65 -0.11 0.00 -1.47 0.00 0.00 33.84 33.42 1nrw n VAL 198 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1nrw s SER 199 N -2.25 -0.12 0.00 -1.34 0.15 -1.26 0.34 113.70 109.22 1nrw s SER 199 Ca 0.20 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1nrw s SER 199 Cb 0.01 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1nrw s SER 199 CO 0.14 -0.22 0.64 -1.54 1.20 0.00 0.00 173.24 173.47 1nrw n SER 200 N 2.25 1.28 -3.51 5.45 3.41 -1.26 -1.52 113.62 119.71 1nrw n SER 200 Ca -0.17 -1.29 -0.11 0.00 -0.26 0.00 0.00 58.87 57.04 1nrw n SER 200 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 1nrw n SER 200 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nrw s ALA 201 N -0.29 -1.82 0.48 7.33 0.00 -1.26 -4.87 121.76 121.33 1nrw s ALA 201 Ca 0.00 1.15 0.26 0.00 0.00 0.00 0.00 51.96 53.37 1nrw s ALA 201 Cb 0.00 0.11 1.32 0.00 0.00 0.00 0.00 23.12 24.55 1nrw s ALA 201 CO 0.00 -0.55 1.84 0.93 0.00 0.00 0.00 175.76 177.98 1nrw h GLU 202 N 2.30 0.18 -0.31 0.00 5.08 -1.93 -2.25 114.58 117.64 1nrw h GLU 202 Ca -0.23 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1nrw h GLU 202 Cb 1.21 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1nrw h GLU 202 CO 0.33 0.12 -0.01 0.72 -1.00 0.00 0.00 179.01 179.16 1nrw n HIS 203 N -4.39 1.03 -4.25 4.33 8.25 -1.26 -5.01 115.22 113.92 1nrw n HIS 203 Ca 0.21 -1.22 -0.14 0.00 -0.26 0.00 0.00 57.72 56.31 1nrw n HIS 203 Cb 0.93 -0.40 -0.10 0.00 1.12 0.00 0.00 29.99 31.54 1nrw n HIS 203 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nrw s ASN 204 N -2.22 0.56 0.00 0.41 2.20 -0.85 -1.96 114.94 113.08 1nrw s ASN 204 Ca 0.43 -1.39 -0.12 0.00 -0.94 0.00 0.00 52.86 50.85 1nrw s ASN 204 Cb 0.37 0.29 0.01 0.00 -2.00 0.00 0.00 41.25 39.93 1nrw s ASN 204 CO 0.05 -0.80 0.24 0.72 -2.94 0.00 0.00 177.10 174.37 1nrw s PHE 205 N -4.00 -0.08 0.02 1.54 -0.12 -0.57 -4.50 117.98 110.27 1nrw s PHE 205 Ca 0.38 0.05 0.06 0.00 -0.05 0.00 0.00 56.93 57.38 1nrw s PHE 205 Cb 0.07 0.04 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1nrw s PHE 205 CO 0.13 -0.38 -0.18 -1.21 -0.05 0.00 0.00 175.22 173.53 1nrw s GLU 206 N -1.61 1.33 -0.11 1.99 2.02 0.15 -0.71 118.70 121.76 1nrw s GLU 206 Ca -0.12 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.10 1nrw s GLU 206 Cb -0.05 -1.36 0.02 0.00 0.10 0.00 0.00 34.13 32.84 1nrw s GLU 206 CO 0.02 0.36 -0.15 -0.51 0.02 0.00 0.00 175.26 175.00 1nrw s LEU 207 N -0.87 1.70 0.37 1.80 1.43 0.48 -1.69 118.68 121.90 1nrw s LEU 207 Ca 0.06 -0.42 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1nrw s LEU 207 Cb -0.08 -1.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1nrw s LEU 207 CO 0.01 0.01 0.18 -0.94 0.23 0.00 0.00 176.35 175.83 1nrw s SER 208 N 1.03 2.22 0.81 2.29 1.04 -0.86 -0.78 113.70 119.46 1nrw s SER 208 Ca -0.06 -1.67 -0.11 0.00 0.48 0.00 0.00 55.95 54.60 1nrw s SER 208 Cb -0.15 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.55 1nrw s SER 208 CO -0.02 -0.96 1.11 -0.55 0.98 0.00 0.00 173.24 173.80 1nrw s SER 209 N -3.49 4.10 0.30 7.02 0.15 -1.26 -0.50 113.70 120.02 1nrw s SER 209 Ca 0.31 1.93 0.06 0.00 0.70 0.00 0.00 55.95 58.95 1nrw s SER 209 Cb 0.03 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.56 1nrw s SER 209 CO 0.19 -2.31 1.77 -0.09 1.20 0.00 0.00 173.24 173.99 1nrw h ARG 210 N -1.29 0.70 -0.20 5.44 9.65 -1.56 0.70 114.38 127.83 1nrw h ARG 210 Ca -0.43 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1nrw h ARG 210 Cb 1.24 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1nrw h ARG 210 CO 0.49 0.46 0.00 1.63 2.80 0.00 0.00 179.97 185.35 1nrw n LYS 211 N -4.80 1.61 -3.65 0.20 5.02 -1.26 -4.69 118.16 110.59 1nrw n LYS 211 Ca 0.24 -0.93 -0.39 0.00 -2.02 0.00 0.00 58.31 55.21 1nrw n LYS 211 Cb 0.60 -1.30 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 1nrw n LYS 211 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nrw s ALA 212 N -1.74 3.28 0.08 7.82 0.00 0.24 -4.72 121.76 126.72 1nrw s ALA 212 Ca 0.26 -2.51 -0.12 0.00 0.00 0.00 0.00 51.96 49.59 1nrw s ALA 212 Cb 0.13 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.64 1nrw s ALA 212 CO 0.20 -1.84 0.28 -1.54 0.00 0.00 0.00 175.76 172.86 1nrw s SER 213 N 2.27 -0.05 0.31 0.00 1.04 -0.98 -4.52 113.70 111.77 1nrw s SER 213 Ca 0.06 -0.42 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 1nrw s SER 213 Cb -0.25 0.38 0.51 0.00 0.10 0.00 0.00 66.02 66.76 1nrw s SER 213 CO -0.02 -0.72 1.96 0.11 0.98 0.00 0.00 173.24 175.55 1nrw h LYS 214 N 2.82 0.94 -0.37 4.02 1.57 -1.78 -1.32 116.57 122.45 1nrw h LYS 214 Ca -0.33 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.29 1nrw h LYS 214 Cb 1.21 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1nrw h LYS 214 CO 0.50 0.66 -0.08 0.78 -0.57 0.00 0.00 179.45 180.74 1nrw h GLY 215 N 0.99 0.76 1.52 3.86 0.00 -1.89 -1.85 103.07 106.46 1nrw h GLY 215 Ca 0.25 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 46.85 1nrw h GLY 215 CO -0.05 0.57 -0.27 1.46 0.00 0.00 0.00 176.54 178.25 1nrw h GLN 216 N 0.50 0.55 -0.46 4.80 4.20 -1.79 -1.71 115.11 121.19 1nrw h GLN 216 Ca 0.09 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1nrw h GLN 216 Cb 0.59 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1nrw h GLN 216 CO 0.04 0.77 -0.15 0.00 -0.67 0.00 0.00 178.83 178.82 1nrw h ALA 217 N 1.23 0.86 -0.38 3.87 0.00 -1.19 -0.28 119.26 123.37 1nrw h ALA 217 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1nrw h ALA 217 Cb 0.72 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1nrw h ALA 217 CO 0.06 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.33 1nrw h LEU 218 N 0.78 0.55 -0.72 0.00 5.85 -1.07 -1.32 115.31 119.39 1nrw h LEU 218 Ca 0.12 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1nrw h LEU 218 Cb 0.68 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1nrw h LEU 218 CO 0.05 0.59 0.30 0.11 -0.34 0.00 0.00 178.44 179.15 1nrw h LYS 219 N 0.47 1.08 -0.55 1.25 1.57 -1.06 -0.31 116.57 119.02 1nrw h LYS 219 Ca 0.13 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1nrw h LYS 219 Cb 0.23 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1nrw h LYS 219 CO -0.01 0.88 0.35 -0.09 -0.57 0.00 0.00 179.45 180.02 1nrw h ARG 220 N 1.03 0.69 -0.14 3.15 2.43 -0.81 -1.24 114.38 119.49 1nrw h ARG 220 Ca 0.24 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1nrw h ARG 220 Cb 0.20 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1nrw h ARG 220 CO -0.02 0.46 -0.18 1.25 -1.51 0.00 0.00 179.97 179.97 1nrw h LEU 221 N 0.71 0.40 -0.61 3.80 5.85 -0.95 -2.71 115.31 121.80 1nrw h LEU 221 Ca 0.21 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.47 1nrw h LEU 221 Cb -0.04 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1nrw h LEU 221 CO -0.07 0.83 0.33 0.00 -0.34 0.00 0.00 178.44 179.20 1nrw h ALA 222 N 0.58 0.81 -0.45 1.25 0.00 -0.94 -1.17 119.26 119.34 1nrw h ALA 222 Ca 0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nrw h ALA 222 Cb 0.73 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1nrw h ALA 222 CO 0.04 0.01 0.28 -0.22 0.00 0.00 0.00 179.25 179.36 1nrw h LYS 223 N 0.63 0.55 -0.24 0.00 3.64 -1.22 0.02 116.57 119.96 1nrw h LYS 223 Ca 0.27 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1nrw h LYS 223 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1nrw h LYS 223 CO -0.17 0.37 -0.12 1.96 -2.27 0.00 0.00 179.45 179.22 1nrw h GLN 224 N 0.57 0.39 -0.08 1.90 4.20 -1.08 -2.08 115.11 118.93 1nrw h GLN 224 Ca 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1nrw h GLN 224 Cb -0.02 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1nrw h GLN 224 CO -0.06 0.51 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 1nrw n LEU 225 N -4.23 1.12 -3.57 1.46 4.77 -0.50 -4.92 117.00 111.13 1nrw n LEU 225 Ca 0.00 -0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 55.31 1nrw n LEU 225 Cb 0.30 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.42 1nrw n LEU 225 CO 0.39 0.22 0.24 0.59 -1.33 0.00 0.00 177.39 177.50 1nrw n ASN 226 N -0.07 -6.12 -4.27 -1.43 3.02 -0.65 -4.99 115.26 100.74 1nrw n ASN 226 Ca 0.17 -0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 1nrw n ASN 226 Cb 0.26 -5.02 -0.14 0.00 -0.61 0.00 0.00 39.78 34.26 1nrw n ASN 226 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nrw s ILE 227 N -3.32 3.09 0.42 2.41 1.01 -0.10 -5.04 121.20 119.68 1nrw s ILE 227 Ca 0.55 -0.59 -0.26 0.00 0.00 0.00 0.00 60.65 60.35 1nrw s ILE 227 Cb -0.24 -2.39 -0.09 0.00 0.01 0.00 0.00 42.46 39.74 1nrw s ILE 227 CO 0.73 0.45 1.42 -2.84 0.00 0.00 0.00 174.94 174.69 1nrw s PRO 228 N 1.44 3.87 0.56 2.79 0.02 -1.26 -4.37 135.00 138.04 1nrw s PRO 228 Ca 0.06 2.41 0.26 0.00 0.02 0.00 0.00 61.00 63.75 1nrw s PRO 228 Cb -0.14 -2.77 1.62 0.00 0.02 0.00 0.00 34.50 33.22 1nrw s PRO 228 CO -0.05 -0.67 2.19 -0.07 -0.33 0.00 0.00 177.00 178.07 1nrw h LEU 229 N 2.60 0.00 -2.35 -5.54 3.38 -1.95 0.43 115.31 111.89 1nrw h LEU 229 Ca -0.51 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 1nrw h LEU 229 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1nrw h LEU 229 CO 0.62 0.03 -0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1nrw h GLU 230 N 0.00 0.00 -0.69 1.13 3.07 -1.91 -0.63 114.58 115.55 1nrw h GLU 230 Ca -0.00 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.53 1nrw h GLU 230 Cb 0.07 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 27.78 1nrw h GLU 230 CO 0.00 0.00 0.30 0.39 -1.40 0.00 0.00 179.01 178.30 1nrw n GLU 231 N -3.11 2.25 -4.27 2.33 1.02 0.14 -4.65 120.64 114.36 1nrw n GLU 231 Ca -0.02 -3.09 -0.22 0.00 -0.02 0.00 0.00 57.16 53.82 1nrw n GLU 231 Cb 0.17 -2.02 -0.12 0.00 -0.02 0.00 0.00 31.44 29.44 1nrw n GLU 231 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1nrw s THR 232 N -3.23 1.47 0.07 2.62 -4.23 -0.66 -0.26 115.64 111.42 1nrw s THR 232 Ca 0.51 -1.42 0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1nrw s THR 232 Cb 0.44 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.90 1nrw s THR 232 CO 0.07 -0.10 -0.11 0.00 -0.54 0.00 0.00 174.62 173.94 1nrw s ALA 233 N -1.17 0.96 -0.01 3.99 0.00 -0.57 -0.84 121.76 124.12 1nrw s ALA 233 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 1nrw s ALA 233 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1nrw s ALA 233 CO 0.03 0.04 0.02 0.00 0.00 0.00 0.00 175.76 175.85 1nrw s ALA 234 N -1.72 -0.06 -0.01 0.00 0.00 -0.56 -0.36 121.76 119.06 1nrw s ALA 234 Ca -0.02 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.05 1nrw s ALA 234 Cb -0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1nrw s ALA 234 CO 0.01 -0.01 -0.12 0.54 0.00 0.00 0.00 175.76 176.17 1nrw s VAL 235 N 0.02 0.96 0.17 0.00 0.11 -0.50 0.11 120.40 121.26 1nrw s VAL 235 Ca -0.00 -0.55 -0.24 0.00 -2.93 0.00 0.00 61.98 58.26 1nrw s VAL 235 Cb -0.00 -0.81 0.07 0.00 -1.53 0.00 0.00 36.38 34.11 1nrw s VAL 235 CO 0.00 0.25 1.00 -0.83 -3.33 0.00 0.00 175.10 172.19 1nrw s GLY 236 N -0.34 -0.08 0.00 6.54 0.00 -0.85 -1.97 107.32 110.62 1nrw s GLY 236 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1nrw s GLY 236 CO -0.00 0.92 0.00 2.09 0.00 0.00 0.00 173.10 176.11 1nrw n ASP 237 N -0.80 4.06 -4.95 1.64 5.75 -1.26 -4.40 116.55 116.58 1nrw n ASP 237 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.53 1nrw n ASP 237 Cb 0.60 0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 41.26 1nrw n ASP 237 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nrw s SER 238 N -2.20 5.79 0.41 -1.12 1.04 -1.26 -1.23 113.70 115.12 1nrw s SER 238 Ca 0.00 -0.27 0.12 0.00 0.48 0.00 0.00 55.95 56.28 1nrw s SER 238 Cb 0.00 -1.16 0.95 0.00 0.10 0.00 0.00 66.02 65.91 1nrw s SER 238 CO 0.00 -0.41 1.94 0.25 0.98 0.00 0.00 173.24 176.00 1nrw h LEU 239 N 0.99 0.48 0.00 2.42 5.85 -1.92 -0.48 115.31 122.64 1nrw h LEU 239 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1nrw h LEU 239 Cb 1.26 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1nrw h LEU 239 CO 0.54 0.27 0.00 -0.46 -0.34 0.00 0.00 178.44 178.46 1nrw n ASN 240 N -4.49 0.00 0.01 1.25 6.94 -0.58 -2.14 115.26 116.25 1nrw n ASN 240 Ca 0.12 0.02 0.11 0.00 -0.02 0.00 0.00 54.58 54.82 1nrw n ASN 240 Cb 0.40 -0.26 0.05 0.00 -2.36 0.00 0.00 39.78 37.62 1nrw n ASN 240 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1nrw n ASP 241 N -1.26 0.69 -0.17 0.53 8.00 -0.19 -4.51 116.55 119.65 1nrw n ASP 241 Ca 0.07 -0.49 -0.04 0.00 0.71 0.00 0.00 54.79 55.04 1nrw n ASP 241 Cb 0.11 0.69 0.02 0.00 -0.02 0.00 0.00 41.12 41.92 1nrw n ASP 241 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nrw h LYS 242 N 0.00 -0.12 -1.90 -1.24 3.64 -1.54 -2.30 116.57 113.12 1nrw h LYS 242 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1nrw h LYS 242 Cb 0.57 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1nrw h LYS 242 CO 0.00 -0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 175.97 1nrw n SER 243 N -5.42 0.01 0.00 4.20 3.41 -1.26 -1.47 113.62 113.09 1nrw n SER 243 Ca 0.04 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1nrw n SER 243 Cb 0.33 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1nrw n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nrw n LEU 245 N 0.97 0.00 -0.19 1.04 4.32 -0.87 -1.29 117.00 120.99 1nrw n LEU 245 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 55.92 1nrw n LEU 245 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 1nrw n LEU 245 CO 0.00 0.00 0.87 -0.33 -1.22 0.00 0.00 177.39 176.71 1nrw h GLU 246 N 0.00 1.02 -0.26 3.23 5.08 -1.52 -3.11 114.58 119.01 1nrw h GLU 246 Ca 0.00 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 1nrw h GLU 246 Cb 0.00 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1nrw h GLU 246 CO 0.00 0.97 -0.51 0.00 -1.00 0.00 0.00 179.01 178.47 1nrw h ALA 247 N 1.09 0.60 -2.53 3.43 0.00 -1.45 -3.46 119.26 116.95 1nrw h ALA 247 Ca 0.18 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 54.08 1nrw h ALA 247 Cb 0.49 -0.09 0.10 0.00 0.00 0.00 0.00 17.79 18.29 1nrw h ALA 247 CO 0.02 0.68 0.39 0.00 0.00 0.00 0.00 179.25 180.35 1nrw s ALA 248 N -4.12 2.48 0.27 0.00 0.00 -1.18 -4.93 121.76 114.28 1nrw s ALA 248 Ca -0.09 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1nrw s ALA 248 Cb 0.11 -3.35 0.36 0.00 0.00 0.00 0.00 23.12 20.23 1nrw s ALA 248 CO 0.87 -1.23 1.83 0.78 0.00 0.00 0.00 175.76 178.00 1nrw h GLY 249 N 0.30 0.99 -6.88 0.00 0.00 0.51 -3.39 103.07 94.58 1nrw h GLY 249 Ca -0.48 -0.55 -0.56 0.00 0.00 0.00 0.00 47.33 45.75 1nrw h GLY 249 CO 0.54 0.51 -0.80 0.54 0.00 0.00 0.00 176.54 177.34 1nrw s LYS 250 N -5.33 1.61 -0.21 4.80 1.02 -0.79 -4.99 119.74 115.84 1nrw s LYS 250 Ca -0.10 -0.49 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 1nrw s LYS 250 Cb 0.16 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 35.46 1nrw s LYS 250 CO 0.81 -0.37 0.26 0.20 -0.92 0.00 0.00 175.35 175.32 1nrw s GLY 251 N 1.61 2.05 -0.10 -3.33 0.00 -1.26 -1.50 107.32 104.80 1nrw s GLY 251 Ca 0.02 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.08 1nrw s GLY 251 CO -0.08 0.52 -0.18 0.14 0.00 0.00 0.00 173.10 173.50 1nrw s VAL 252 N 1.01 2.61 0.00 1.40 1.01 0.12 -0.32 120.40 126.23 1nrw s VAL 252 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1nrw s VAL 252 Cb -0.14 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1nrw s VAL 252 CO 0.05 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.70 1nrw n ALA 253 N 3.23 0.00 -0.06 5.51 0.00 -0.33 -2.01 120.51 126.85 1nrw n ALA 253 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 1nrw n ALA 253 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 1nrw n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nrw n GLY 255 N 5.00 -1.02 1.24 0.00 0.00 0.09 -1.14 105.19 109.36 1nrw n GLY 255 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1nrw n GLY 255 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nrw n ASN 256 N -2.81 3.63 -4.75 1.61 6.94 -1.26 -4.78 115.26 113.84 1nrw n ASN 256 Ca -0.25 -2.20 -0.32 0.00 -0.02 0.00 0.00 54.58 51.79 1nrw n ASN 256 Cb 1.07 -0.47 0.10 0.00 -2.36 0.00 0.00 39.78 38.12 1nrw n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nrw s ALA 257 N -1.54 2.12 0.69 -2.53 0.00 -1.26 -4.86 121.76 114.38 1nrw s ALA 257 Ca 0.41 0.42 -0.16 0.00 0.00 0.00 0.00 51.96 52.64 1nrw s ALA 257 Cb 0.24 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1nrw s ALA 257 CO 0.23 -1.90 1.18 1.03 0.00 0.00 0.00 175.76 176.31 1nrw s ARG 258 N -4.65 2.42 0.31 0.00 0.52 -0.36 -4.81 118.95 112.38 1nrw s ARG 258 Ca 0.64 1.68 -0.00 0.00 -0.52 0.00 0.00 55.73 57.53 1nrw s ARG 258 Cb -0.20 -1.87 0.51 0.00 0.52 0.00 0.00 34.95 33.91 1nrw s ARG 258 CO 0.53 -1.61 1.96 0.93 0.02 0.00 0.00 175.30 177.13 1nrw h GLU 259 N -0.04 1.01 0.00 3.54 4.39 -1.94 -1.72 114.58 119.82 1nrw h GLU 259 Ca -0.48 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 1nrw h GLU 259 Cb 1.28 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1nrw h GLU 259 CO 0.51 0.67 -0.41 0.38 -1.16 0.00 0.00 179.01 179.00 1nrw h ASP 260 N 1.04 0.00 -0.14 1.42 3.04 -1.97 -0.76 116.42 119.05 1nrw h ASP 260 Ca 0.32 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.95 1nrw h ASP 260 Cb -0.01 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.29 1nrw h ASP 260 CO -0.09 0.41 -0.55 0.40 -2.04 0.00 0.00 179.24 177.37 1nrw h ILE 261 N 0.00 1.33 -0.67 4.15 1.08 -1.71 -2.98 117.51 118.71 1nrw h ILE 261 Ca -0.00 -1.82 -0.03 0.00 -0.39 0.00 0.00 64.86 62.62 1nrw h ILE 261 Cb 0.73 2.06 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 1nrw h ILE 261 CO 0.05 0.56 0.30 0.11 -0.69 0.00 0.00 178.15 178.48 1nrw h LYS 262 N 0.27 0.97 -0.73 2.37 1.57 -1.10 -2.67 116.57 117.25 1nrw h LYS 262 Ca -0.03 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1nrw h LYS 262 Cb 1.18 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.26 1nrw h LYS 262 CO 0.12 0.77 0.44 1.03 -0.57 0.00 0.00 179.45 181.24 1nrw h SER 263 N 0.96 0.71 0.58 0.86 0.87 -1.05 -2.74 113.55 113.73 1nrw h SER 263 Ca 0.23 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1nrw h SER 263 Cb 0.13 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nrw h SER 263 CO -0.03 0.47 -0.33 2.30 -0.53 0.00 0.00 176.83 178.72 1nrw n ILE 264 N -4.68 0.00 -2.26 2.23 -5.35 -1.13 -4.93 119.36 103.23 1nrw n ILE 264 Ca 0.09 -0.02 -0.34 0.00 -0.27 0.00 0.00 62.75 62.21 1nrw n ILE 264 Cb 0.13 0.06 -0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1nrw n ILE 264 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nrw s ALA 265 N -2.91 2.72 -0.26 -1.28 0.00 -1.02 -4.92 121.76 114.09 1nrw s ALA 265 Ca 0.14 0.70 0.23 0.00 0.00 0.00 0.00 51.96 53.03 1nrw s ALA 265 Cb 0.18 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1nrw s ALA 265 CO 0.62 -0.71 0.96 -0.25 0.00 0.00 0.00 175.76 176.39 1nrw n ASP 266 N -1.40 0.67 -3.75 0.00 8.00 0.57 -4.94 116.55 115.71 1nrw n ASP 266 Ca 0.11 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 1nrw n ASP 266 Cb 0.52 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 42.28 1nrw n ASP 266 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nrw s ALA 267 N -3.37 -0.71 -0.04 2.24 0.00 -1.05 -5.00 121.76 113.83 1nrw s ALA 267 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1nrw s ALA 267 Cb 0.11 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1nrw s ALA 267 CO 0.81 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 176.12 1nrw s VAL 268 N -2.55 0.97 0.08 0.00 1.01 -1.26 -1.18 120.40 117.46 1nrw s VAL 268 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1nrw s VAL 268 Cb -0.01 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1nrw s VAL 268 CO -0.03 0.30 0.04 1.07 0.00 0.00 0.00 175.10 176.48 1nrw n THR 269 N 3.40 0.00 -1.36 3.92 5.66 -0.30 -4.95 114.28 120.66 1nrw n THR 269 Ca -0.20 -0.32 -0.30 0.00 -3.05 0.00 0.00 64.05 60.19 1nrw n THR 269 Cb 0.53 -0.32 0.20 0.00 -1.55 0.00 0.00 70.33 69.19 1nrw n THR 269 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1nrw s LEU 270 N 0.00 1.49 0.88 1.09 1.43 -1.26 -1.98 118.68 120.32 1nrw s LEU 270 Ca 0.03 0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 53.72 1nrw s LEU 270 Cb -0.00 -2.68 0.12 0.00 0.03 0.00 0.00 46.19 43.65 1nrw s LEU 270 CO 0.02 -3.39 1.09 0.42 0.23 0.00 0.00 176.35 174.73 1nrw s THR 271 N -3.23 2.73 0.25 5.49 -4.23 -1.26 -0.73 115.64 114.66 1nrw s THR 271 Ca 0.69 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 61.39 1nrw s THR 271 Cb -0.11 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.23 1nrw s THR 271 CO 0.55 -0.31 1.91 -0.55 -0.54 0.00 0.00 174.62 175.68 1nrw h ASN 272 N -1.47 1.11 0.33 3.99 -1.07 -1.83 -1.01 115.58 115.63 1nrw h ASN 272 Ca -0.49 -0.01 -0.04 0.00 0.07 0.00 0.00 56.30 55.82 1nrw h ASN 272 Cb 1.28 -0.26 -0.01 0.00 -2.07 0.00 0.00 38.32 37.27 1nrw h ASN 272 CO 0.55 0.77 -0.20 0.44 0.07 0.00 0.00 177.43 179.06 1nrw h ASP 273 N 1.29 0.00 -0.44 6.14 3.32 -1.90 -2.07 116.42 122.75 1nrw h ASP 273 Ca 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 1nrw h ASP 273 Cb -0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1nrw h ASP 273 CO -0.11 0.20 0.06 -0.62 -1.72 0.00 0.00 179.24 177.05 1nrw n GLU 274 N -3.93 3.49 -3.40 3.56 1.02 -0.65 -4.90 120.64 115.82 1nrw n GLU 274 Ca -0.02 -2.20 -0.18 0.00 -0.02 0.00 0.00 57.16 54.74 1nrw n GLU 274 Cb 0.29 -2.01 0.08 0.00 -0.02 0.00 0.00 31.44 29.77 1nrw n GLU 274 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1nrw n HIS 275 N 0.29 -2.28 -0.28 -0.32 8.25 -0.78 -4.78 115.22 115.32 1nrw n HIS 275 Ca 0.23 0.90 0.10 0.00 -0.26 0.00 0.00 57.72 58.68 1nrw n HIS 275 Cb 0.97 -4.80 0.34 0.00 1.12 0.00 0.00 29.99 27.63 1nrw n HIS 275 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1nrw h GLY 276 N -2.05 1.27 0.96 -1.41 0.00 -1.36 -0.67 103.07 99.80 1nrw h GLY 276 Ca -0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 1nrw h GLY 276 CO 0.48 0.13 0.19 -2.08 0.00 0.00 0.00 176.54 175.26 1nrw h VAL 277 N 0.77 1.19 -0.54 4.60 2.07 -1.85 -2.71 116.25 119.79 1nrw h VAL 277 Ca 0.44 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1nrw h VAL 277 Cb 0.61 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1nrw h VAL 277 CO -0.20 0.21 0.19 0.00 0.02 0.00 0.00 177.57 177.79 1nrw h ALA 278 N 1.04 0.70 -0.04 1.67 0.00 -1.60 -3.43 119.26 117.60 1nrw h ALA 278 Ca 0.15 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 1nrw h ALA 278 Cb 0.15 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 17.80 1nrw h ALA 278 CO -0.02 0.33 0.66 1.58 0.00 0.00 0.00 179.25 181.81 1nrw n HIS 279 N -4.50 0.43 0.00 0.00 -0.00 -0.36 -4.53 115.22 106.27 1nrw n HIS 279 Ca 0.02 -0.30 0.00 0.00 -0.00 0.00 0.00 57.72 57.45 1nrw n HIS 279 Cb 0.18 -1.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.55 1nrw n HIS 279 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1nrw n LYS 282 N 7.73 0.00 -0.07 1.57 5.02 -1.26 -3.74 118.16 127.41 1nrw n LYS 282 Ca 0.40 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.71 1nrw n LYS 282 Cb 0.44 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1nrw n LYS 282 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1nrw n HIS 283 N -0.29 0.00 0.00 2.13 8.25 -1.26 -4.84 115.22 119.20 1nrw n HIS 283 Ca 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.06 1nrw n HIS 283 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 1nrw n HIS 283 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nrw n LEU 284 N -0.48 0.00 -0.54 2.41 4.77 -1.25 -5.18 117.00 116.74 1nrw n LEU 284 Ca 0.03 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.08 1nrw n LEU 284 Cb 0.44 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1nrw n LEU 284 CO 0.00 0.00 0.46 0.18 -1.33 0.00 0.00 177.39 176.70