#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dna h GLN 3 N 0.00 1.00 0.10 1.64 7.50 -1.99 -0.41 115.11 122.95 1dna h GLN 3 Ca 0.00 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 1dna h GLN 3 Cb 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.31 1dna h GLN 3 CO 0.00 0.66 -0.05 -0.92 -1.50 0.00 0.00 178.83 177.02 1dna h TYR 4 N 1.03 -0.12 -0.71 2.96 3.20 -2.01 -1.88 116.97 119.44 1dna h TYR 4 Ca 0.42 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.27 1dna h TYR 4 Cb 0.26 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 1dna h TYR 4 CO -0.02 0.11 0.35 -0.07 -1.64 0.00 0.00 178.16 176.89 1dna h LEU 5 N -0.35 0.91 -1.11 2.82 3.38 -1.92 -2.01 115.31 117.02 1dna h LEU 5 Ca -0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1dna h LEU 5 Cb 0.29 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1dna h LEU 5 CO 0.02 0.76 -0.14 -0.33 0.09 0.00 0.00 178.44 178.84 1dna h GLU 6 N 1.00 0.46 -0.18 1.13 5.08 -0.99 -1.37 114.58 119.70 1dna h GLU 6 Ca 0.25 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1dna h GLU 6 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1dna h GLU 6 CO -0.03 0.59 0.01 1.25 -1.00 0.00 0.00 179.01 179.84 1dna h LEU 7 N 0.42 0.29 -0.55 1.33 5.85 -0.66 -0.86 115.31 121.15 1dna h LEU 7 Ca 0.08 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1dna h LEU 7 Cb 0.50 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1dna h LEU 7 CO 0.03 0.51 0.28 0.24 -0.34 0.00 0.00 178.44 179.16 1dna h MET 8 N 0.07 0.52 -0.33 1.25 2.86 -1.02 -0.37 114.93 117.91 1dna h MET 8 Ca 0.05 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1dna h MET 8 Cb 0.35 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1dna h MET 8 CO 0.01 0.35 0.06 0.37 1.06 0.00 0.00 176.91 178.75 1dna h GLN 9 N 0.54 0.48 -0.28 1.72 5.75 -1.09 -1.86 115.11 120.37 1dna h GLN 9 Ca 0.24 -0.08 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 1dna h GLN 9 Cb 0.15 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1dna h GLN 9 CO -0.17 0.47 -0.24 -0.22 -2.65 0.00 0.00 178.83 176.02 1dna h LYS 10 N 0.48 0.66 -0.62 1.69 3.64 0.13 -0.18 116.57 122.37 1dna h LYS 10 Ca 0.11 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1dna h LYS 10 Cb 0.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1dna h LYS 10 CO -0.00 0.94 0.40 0.28 -2.27 0.00 0.00 179.45 178.80 1dna h VAL 11 N 0.40 1.16 -0.53 2.00 2.07 -0.73 0.27 116.25 120.89 1dna h VAL 11 Ca 0.05 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1dna h VAL 11 Cb 0.80 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1dna h VAL 11 CO 0.06 0.16 -0.07 -0.07 0.02 0.00 0.00 177.57 177.68 1dna h LEU 12 N 0.84 0.98 -0.20 2.57 3.38 -1.27 0.43 115.31 122.04 1dna h LEU 12 Ca 0.22 -0.34 -0.22 0.00 0.09 0.00 0.00 57.88 57.64 1dna h LEU 12 Cb -0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 1dna h LEU 12 CO -0.05 1.08 -0.93 0.44 0.09 0.00 0.00 178.44 179.07 1dna h ASP 13 N 0.86 0.44 0.00 -0.43 3.32 -0.66 -3.37 116.42 116.57 1dna h ASP 13 Ca 0.14 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1dna h ASP 13 Cb 0.62 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1dna h ASP 13 CO 0.04 1.16 -0.02 -0.62 -1.72 0.00 0.00 179.24 178.08 1dna n GLU 14 N -3.71 2.04 -2.81 3.56 1.02 0.91 -5.07 120.64 116.57 1dna n GLU 14 Ca -0.06 -1.48 -0.33 0.00 -0.02 0.00 0.00 57.16 55.28 1dna n GLU 14 Cb 0.83 -0.97 -0.07 0.00 -0.02 0.00 0.00 31.44 31.22 1dna n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1dna s GLY 15 N -1.13 2.35 -0.07 0.62 0.00 0.15 -4.79 107.32 104.44 1dna s GLY 15 Ca 0.05 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.10 1dna s GLY 15 CO 0.00 0.60 -0.00 -1.59 0.00 0.00 0.00 173.10 172.11 1dna s THR 16 N -2.20 4.24 0.21 0.90 2.01 0.17 -4.69 115.64 116.28 1dna s THR 16 Ca 0.61 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1dna s THR 16 Cb -0.09 -2.79 -0.09 0.00 0.01 0.00 0.00 72.50 69.54 1dna s THR 16 CO 0.15 0.57 1.30 -1.10 -0.69 0.00 0.00 174.62 174.86 1dna s GLN 17 N -0.97 4.39 -0.13 4.92 -0.21 -1.26 -0.27 119.66 126.13 1dna s GLN 17 Ca 0.14 2.05 -0.11 0.00 0.02 0.00 0.00 55.36 57.47 1dna s GLN 17 Cb -0.11 -3.19 0.04 0.00 1.00 0.00 0.00 33.01 30.75 1dna s GLN 17 CO 0.03 -0.24 0.34 0.21 -2.12 0.00 0.00 175.29 173.52 1dna s LYS 18 N -0.23 0.38 0.56 2.91 2.20 0.75 -4.94 119.74 121.37 1dna s LYS 18 Ca 0.56 0.52 -0.13 0.00 -0.36 0.00 0.00 55.97 56.56 1dna s LYS 18 Cb -0.36 0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 36.03 1dna s LYS 18 CO 0.39 -0.07 0.99 -0.80 -0.36 0.00 0.00 175.35 175.49 1dna s ASN 19 N 0.45 6.42 0.24 1.43 0.02 -1.26 -0.46 114.94 121.77 1dna s ASN 19 Ca -0.02 1.45 -0.01 0.00 -1.02 0.00 0.00 52.86 53.26 1dna s ASN 19 Cb -0.04 -2.47 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 1dna s ASN 19 CO -0.02 -0.71 0.22 1.51 0.02 0.00 0.00 177.10 178.11 1dna s ASP 20 N -3.64 0.42 0.22 -1.22 -4.77 -1.26 -4.87 116.67 101.55 1dna s ASP 20 Ca 0.56 -1.40 -0.14 0.00 -3.30 0.00 0.00 52.55 48.28 1dna s ASP 20 Cb -0.10 0.45 0.27 0.00 -1.09 0.00 0.00 42.92 42.45 1dna s ASP 20 CO 0.43 -0.94 1.60 -0.09 0.70 0.00 0.00 175.17 176.86 1dna h ARG 21 N 2.46 -0.03 0.00 2.11 2.43 -1.99 0.20 114.38 119.57 1dna h ARG 21 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1dna h ARG 21 Cb 1.25 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1dna h ARG 21 CO 0.47 -0.02 0.00 0.25 -1.51 0.00 0.00 179.97 179.16 1dna n THR 22 N -5.48 1.13 -1.64 0.20 -2.24 -1.26 -4.85 114.28 100.14 1dna n THR 22 Ca 0.09 0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 62.04 1dna n THR 22 Cb 0.38 -1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 67.47 1dna n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dna n GLY 23 N -0.43 0.77 0.13 3.38 0.00 0.71 -4.92 105.19 104.82 1dna n GLY 23 Ca 0.03 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1dna n GLY 23 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1dna n THR 24 N -3.15 1.62 0.00 2.61 -1.04 -1.26 -4.95 114.28 108.11 1dna n THR 24 Ca -0.12 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1dna n THR 24 Cb 0.45 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 1dna n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dna n GLY 25 N 1.88 2.13 3.18 3.41 0.00 -1.26 -4.67 105.19 109.86 1dna n GLY 25 Ca -0.40 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1dna n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dna s THR 26 N -0.50 0.14 -0.18 2.61 -4.23 0.39 -0.74 115.64 113.14 1dna s THR 26 Ca 0.00 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.85 1dna s THR 26 Cb 0.00 -1.65 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1dna s THR 26 CO 0.00 -0.65 0.05 -0.76 -0.54 0.00 0.00 174.62 172.72 1dna s LEU 27 N -2.94 3.74 -0.00 4.79 1.43 -0.04 -0.18 118.68 125.48 1dna s LEU 27 Ca 0.12 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1dna s LEU 27 Cb 0.06 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.34 1dna s LEU 27 CO -0.06 0.18 0.04 -0.55 0.23 0.00 0.00 176.35 176.20 1dna s SER 28 N 0.33 0.07 0.22 2.29 0.15 0.63 -1.48 113.70 115.91 1dna s SER 28 Ca 0.02 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1dna s SER 28 Cb -0.13 0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1dna s SER 28 CO 0.00 -0.20 -0.15 0.27 1.20 0.00 0.00 173.24 174.37 1dna s ILE 29 N -0.81 1.83 -0.13 6.45 -4.36 -0.50 -0.65 121.20 123.02 1dna s ILE 29 Ca -0.09 -2.24 -0.00 0.00 -0.26 0.00 0.00 60.65 58.06 1dna s ILE 29 Cb -0.05 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.59 1dna s ILE 29 CO -0.00 -0.55 -0.07 0.12 0.24 0.00 0.00 174.94 174.68 1dna s PHE 30 N -2.91 1.58 0.00 1.37 5.36 -1.26 -1.60 117.98 120.52 1dna s PHE 30 Ca 0.24 -0.88 0.00 0.00 -0.96 0.00 0.00 56.93 55.33 1dna s PHE 30 Cb -0.01 -1.27 0.00 0.00 -0.34 0.00 0.00 43.02 41.39 1dna s PHE 30 CO 0.08 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.69 1dna n GLY 31 N 4.91 -0.09 3.47 13.12 0.00 -0.76 -5.02 105.19 120.83 1dna n GLY 31 Ca -0.12 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.81 1dna n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dna s HIS 32 N 0.00 -0.60 -0.17 1.61 5.04 -1.12 -4.97 115.29 115.08 1dna s HIS 32 Ca 0.00 0.80 -0.13 0.00 -1.54 0.00 0.00 55.06 54.19 1dna s HIS 32 Cb 0.00 0.45 0.05 0.00 0.04 0.00 0.00 32.58 33.13 1dna s HIS 32 CO 0.00 -0.69 0.44 -1.14 -2.34 0.00 0.00 174.74 171.00 1dna s GLN 33 N -2.17 0.47 0.03 2.88 0.74 -1.26 -0.98 119.66 119.37 1dna s GLN 33 Ca -0.06 0.71 -0.01 0.00 0.05 0.00 0.00 55.36 56.04 1dna s GLN 33 Cb -0.00 0.13 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1dna s GLN 33 CO 0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 175.29 174.63 1dna s MET 34 N 0.79 0.46 -0.03 1.67 0.23 -0.40 -5.00 119.30 117.03 1dna s MET 34 Ca -0.04 -0.87 0.06 0.00 -1.03 0.00 0.00 55.69 53.80 1dna s MET 34 Cb -0.05 0.16 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 1dna s MET 34 CO -0.06 -0.09 -0.20 0.50 -2.03 0.00 0.00 175.02 173.14 1dna s ARG 35 N -2.59 1.78 -0.19 3.16 3.52 -1.26 -0.87 118.95 122.49 1dna s ARG 35 Ca -0.05 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 1dna s ARG 35 Cb -0.02 -1.65 0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1dna s ARG 35 CO -0.05 0.39 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.61 1dna s PHE 36 N -0.32 2.73 -0.62 5.12 0.08 -0.13 -4.97 117.98 119.87 1dna s PHE 36 Ca 0.04 -1.72 -0.27 0.00 0.12 0.00 0.00 56.93 55.10 1dna s PHE 36 Cb -0.09 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.56 1dna s PHE 36 CO 0.00 -0.79 1.19 1.21 -0.10 0.00 0.00 175.22 176.73 1dna s ASN 37 N 1.30 6.35 0.29 1.36 3.84 -1.26 -0.74 114.94 126.07 1dna s ASN 37 Ca 0.01 -0.12 0.19 0.00 0.21 0.00 0.00 52.86 53.15 1dna s ASN 37 Cb -0.15 -2.54 1.04 0.00 -0.55 0.00 0.00 41.25 39.05 1dna s ASN 37 CO -0.10 -1.56 1.58 0.18 -2.79 0.00 0.00 177.10 174.41 1dna n LEU 38 N 8.59 0.49 0.18 3.21 4.77 -0.04 -1.13 117.00 133.08 1dna n LEU 38 Ca 0.06 0.73 0.05 0.00 -0.03 0.00 0.00 56.01 56.82 1dna n LEU 38 Cb 0.49 -0.79 0.28 0.00 -2.33 0.00 0.00 43.42 41.06 1dna n LEU 38 CO 0.70 -0.90 0.64 1.56 -1.33 0.00 0.00 177.39 178.07 1dna h GLN 39 N 0.00 0.00 0.00 3.23 1.08 -1.82 -3.12 115.11 114.48 1dna h GLN 39 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1dna h GLN 39 Cb 0.02 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1dna h GLN 39 CO 0.00 0.39 -0.09 -0.44 -0.95 0.00 0.00 178.83 177.74 1dna h ASP 40 N 0.00 0.00 -2.45 1.46 3.32 -1.51 -3.48 116.42 113.76 1dna h ASP 40 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dna h ASP 40 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 1dna h ASP 40 CO 0.05 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.27 1dna n GLY 41 N 0.21 2.70 3.67 2.75 0.00 -1.18 -4.84 105.19 108.50 1dna n GLY 41 Ca 0.01 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1dna n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dna s PHE 42 N -1.98 3.09 -0.79 1.61 5.36 0.02 -4.63 117.98 120.65 1dna s PHE 42 Ca 0.00 1.21 -0.23 0.00 -0.96 0.00 0.00 56.93 56.95 1dna s PHE 42 Cb 0.00 -3.40 -0.16 0.00 -0.34 0.00 0.00 43.02 39.12 1dna s PHE 42 CO 0.00 -1.19 1.91 -0.35 -1.46 0.00 0.00 175.22 174.13 1dna n PRO 43 N 6.20 1.42 -4.14 10.12 -0.04 -1.26 -3.91 135.00 143.40 1dna n PRO 43 Ca 0.13 -1.90 -0.34 0.00 -0.04 0.00 0.00 63.50 61.35 1dna n PRO 43 Cb 0.46 -3.03 -0.15 0.00 -0.04 0.00 0.00 33.50 30.74 1dna n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dna s LEU 44 N 2.79 2.62 0.02 1.53 2.96 -1.26 -4.10 118.68 123.23 1dna s LEU 44 Ca 0.60 -0.46 -0.36 0.00 -0.22 0.00 0.00 54.13 53.68 1dna s LEU 44 Cb 0.12 -1.63 -0.15 0.00 0.50 0.00 0.00 46.19 45.02 1dna s LEU 44 CO 0.14 0.02 1.53 0.52 -1.32 0.00 0.00 176.35 177.24 1dna n VAL 45 N 4.52 0.12 0.47 1.68 0.31 -1.26 -4.79 118.33 119.37 1dna n VAL 45 Ca -0.19 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 1dna n VAL 45 Cb 0.51 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 1dna n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1dna n THR 46 N 3.40 0.00 1.22 2.52 -2.24 -1.26 -4.42 114.28 113.50 1dna n THR 46 Ca 0.20 -0.22 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1dna n THR 46 Cb 0.21 0.76 0.50 0.00 -2.10 0.00 0.00 70.33 69.71 1dna n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dna n THR 47 N -1.52 0.00 -3.59 4.28 -2.24 -1.26 -0.56 114.28 109.39 1dna n THR 47 Ca 0.01 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.67 1dna n THR 47 Cb 0.26 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.80 1dna n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1dna s LYS 48 N -2.00 0.69 -0.02 -0.78 -2.85 -1.26 -4.69 119.74 108.82 1dna s LYS 48 Ca 0.25 0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 55.32 1dna s LYS 48 Cb 0.12 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 1dna s LYS 48 CO 0.20 -0.17 1.24 0.50 0.10 0.00 0.00 175.35 177.22 1dna s ARG 49 N -0.57 4.35 0.19 1.78 3.52 -0.74 -4.61 118.95 122.86 1dna s ARG 49 Ca -0.02 1.75 0.08 0.00 -0.13 0.00 0.00 55.73 57.41 1dna s ARG 49 Cb -0.02 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.80 1dna s ARG 49 CO 0.01 -0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.06 1dna s HIS 51 N -1.83 3.43 0.31 0.00 3.76 -1.26 -4.98 115.29 114.72 1dna s HIS 51 Ca 0.28 -2.24 0.07 0.00 -0.15 0.00 0.00 55.06 53.02 1dna s HIS 51 Cb -0.09 -2.50 0.76 0.00 1.11 0.00 0.00 32.58 31.86 1dna s HIS 51 CO 0.19 -0.88 1.79 -0.07 -0.85 0.00 0.00 174.74 174.92 1dna h LEU 52 N 7.93 0.76 -0.81 0.89 -0.00 -2.00 -2.96 115.31 119.13 1dna h LEU 52 Ca -0.16 0.09 0.14 0.00 -0.00 0.00 0.00 57.88 57.95 1dna h LEU 52 Cb 1.05 -0.05 -0.14 0.00 -0.00 0.00 0.00 40.66 41.52 1dna h LEU 52 CO 0.56 0.28 -0.26 -1.14 -0.00 0.00 0.00 178.44 177.88 1dna n ARG 53 N -4.73 -0.13 0.07 1.13 0.63 -1.26 -0.68 116.66 111.69 1dna n ARG 53 Ca 0.23 1.25 -0.13 0.00 -0.92 0.00 0.00 57.85 58.28 1dna n ARG 53 Cb 0.58 -1.86 -0.05 0.00 0.45 0.00 0.00 32.46 31.58 1dna n ARG 53 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1dna h SER 54 N 0.00 0.47 -0.03 6.15 0.02 -1.91 -2.80 113.55 115.44 1dna h SER 54 Ca 0.33 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1dna h SER 54 Cb 0.53 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1dna h SER 54 CO -0.81 1.20 0.01 0.40 -1.14 0.00 0.00 176.83 176.48 1dna h ILE 55 N 0.19 1.18 -0.03 3.27 2.04 -0.99 -2.20 117.51 120.97 1dna h ILE 55 Ca -0.08 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1dna h ILE 55 Cb 1.61 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 1dna h ILE 55 CO 0.16 0.15 0.01 0.40 0.00 0.00 0.00 178.15 178.87 1dna h ILE 56 N -0.16 1.16 -0.06 -0.67 2.04 -1.01 -2.63 117.51 116.18 1dna h ILE 56 Ca 0.01 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1dna h ILE 56 Cb 0.23 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1dna h ILE 56 CO -0.00 0.13 -0.06 0.45 0.00 0.00 0.00 178.15 178.67 1dna h HIS 57 N -0.13 0.09 -0.17 1.37 3.86 -1.53 -1.73 115.15 116.91 1dna h HIS 57 Ca 0.01 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 1dna h HIS 57 Cb 0.20 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1dna h HIS 57 CO -0.01 0.15 -0.17 1.49 0.86 0.00 0.00 177.93 180.26 1dna h GLU 58 N 0.09 0.42 -0.32 2.45 4.81 -1.26 -1.98 114.58 118.79 1dna h GLU 58 Ca 0.02 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1dna h GLU 58 Cb 0.17 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1dna h GLU 58 CO 0.01 0.78 0.20 1.25 -0.73 0.00 0.00 179.01 180.52 1dna h LEU 59 N 0.07 0.37 -1.11 1.64 5.85 -1.06 0.96 115.31 122.03 1dna h LEU 59 Ca 0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1dna h LEU 59 Cb 0.70 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1dna h LEU 59 CO 0.04 0.29 0.52 -0.07 -0.34 0.00 0.00 178.44 178.88 1dna h LEU 60 N 0.42 0.99 -0.42 2.25 3.38 -1.35 -1.12 115.31 119.46 1dna h LEU 60 Ca 0.11 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1dna h LEU 60 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1dna h LEU 60 CO -0.02 0.75 0.23 -0.25 0.09 0.00 0.00 178.44 179.23 1dna h TRP 61 N 1.15 0.57 -0.13 1.13 7.01 -0.71 -2.54 115.95 122.43 1dna h TRP 61 Ca 0.30 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.31 1dna h TRP 61 Cb -0.08 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.78 1dna h TRP 61 CO 0.00 0.44 -0.01 0.74 -2.79 0.00 0.00 178.44 176.82 1dna h PHE 62 N 0.54 -0.02 0.00 2.65 0.04 0.10 -2.47 116.94 117.78 1dna h PHE 62 Ca 0.15 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1dna h PHE 62 Cb 0.05 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1dna h PHE 62 CO -0.02 -0.02 -0.02 -0.07 -0.60 0.00 0.00 178.31 177.57 1dna h LEU 63 N 0.03 0.00 0.00 1.54 3.38 -1.04 -1.02 115.31 118.21 1dna h LEU 63 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1dna h LEU 63 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1dna h LEU 63 CO -0.11 0.02 -0.03 0.00 0.09 0.00 0.00 178.44 178.42 1dna n GLN 64 N -3.42 0.23 -1.33 1.13 6.02 -0.94 -4.89 117.38 114.17 1dna n GLN 64 Ca -0.02 0.18 -0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1dna n GLN 64 Cb 0.12 -1.76 -0.00 0.00 1.02 0.00 0.00 30.24 29.62 1dna n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dna n GLY 65 N 1.34 0.43 3.82 1.08 0.00 -0.39 -5.02 105.19 106.45 1dna n GLY 65 Ca 0.06 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.73 1dna n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dna s ASP 66 N -2.97 6.99 0.00 1.61 2.15 -1.15 -4.12 116.67 119.18 1dna s ASP 66 Ca 0.00 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.21 1dna s ASP 66 Cb 0.00 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 1dna s ASP 66 CO 0.00 0.18 0.51 0.35 -0.17 0.00 0.00 175.17 176.04 1dna n THR 67 N 1.24 0.25 -4.21 1.71 -2.24 -1.26 -4.33 114.28 105.44 1dna n THR 67 Ca -0.07 -0.34 -0.36 0.00 -2.27 0.00 0.00 64.05 61.02 1dna n THR 67 Cb 0.51 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 1dna n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1dna s ASN 68 N -0.25 5.61 0.00 3.42 3.84 -1.26 -2.43 114.94 123.86 1dna s ASN 68 Ca 0.00 0.25 0.27 0.00 0.21 0.00 0.00 52.86 53.58 1dna s ASN 68 Cb 0.00 -1.67 1.57 0.00 -0.55 0.00 0.00 41.25 40.59 1dna s ASN 68 CO 0.00 0.38 1.94 2.30 -2.79 0.00 0.00 177.10 178.93 1dna n ILE 69 N 2.12 0.02 -0.18 -5.21 -5.35 -0.74 -4.09 119.36 105.93 1dna n ILE 69 Ca -0.19 0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.27 1dna n ILE 69 Cb 0.54 -0.59 0.04 0.00 -1.74 0.00 0.00 39.64 37.90 1dna n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dna h ALA 70 N 3.63 0.36 -0.07 -1.28 0.00 -1.94 0.90 119.26 120.86 1dna h ALA 70 Ca 0.00 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1dna h ALA 70 Cb 0.02 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1dna h ALA 70 CO 0.00 -0.44 -0.13 -0.92 0.00 0.00 0.00 179.25 177.76 1dna h TYR 71 N -0.00 -0.33 -0.97 0.00 3.20 -2.00 -0.45 116.97 116.42 1dna h TYR 71 Ca 0.26 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.24 1dna h TYR 71 Cb 0.40 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.76 1dna h TYR 71 CO -0.46 -0.19 0.62 -0.07 -1.64 0.00 0.00 178.16 176.42 1dna h LEU 72 N -0.18 0.95 -0.36 2.82 3.38 -1.55 -2.13 115.31 118.22 1dna h LEU 72 Ca 0.07 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1dna h LEU 72 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1dna h LEU 72 CO -0.18 0.57 0.04 0.45 0.09 0.00 0.00 178.44 179.41 1dna h HIS 73 N 1.05 0.66 -0.67 1.13 3.86 -0.04 0.19 115.15 121.34 1dna h HIS 73 Ca 0.44 -0.10 0.11 0.00 -1.16 0.00 0.00 60.37 59.66 1dna h HIS 73 Cb 0.30 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1dna h HIS 73 CO -0.00 0.68 0.45 0.93 0.86 0.00 0.00 177.93 180.85 1dna h GLU 74 N 0.45 0.47 -0.64 2.45 5.08 -0.48 0.10 114.58 122.01 1dna h GLU 74 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1dna h GLU 74 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1dna h GLU 74 CO 0.01 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.42 1dna n ASN 75 N -4.48 4.36 -3.70 1.42 4.13 -0.93 -4.96 115.26 111.10 1dna n ASN 75 Ca 0.11 -2.46 -0.22 0.00 1.68 0.00 0.00 54.58 53.69 1dna n ASN 75 Cb 0.39 -0.56 0.04 0.00 -1.54 0.00 0.00 39.78 38.11 1dna n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1dna n ASN 76 N 0.87 -2.15 -4.16 6.41 3.02 0.35 -5.00 115.26 114.60 1dna n ASN 76 Ca 0.23 -0.78 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 1dna n ASN 76 Cb 0.84 -4.20 -0.15 0.00 -0.61 0.00 0.00 39.78 35.65 1dna n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dna s VAL 77 N -3.55 2.37 -0.98 2.41 1.01 0.60 -5.00 120.40 117.26 1dna s VAL 77 Ca 0.15 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.37 1dna s VAL 77 Cb -0.07 -2.03 0.23 0.00 0.00 0.00 0.00 36.38 34.51 1dna s VAL 77 CO 0.80 0.49 1.13 0.35 0.00 0.00 0.00 175.10 177.87 1dna n THR 78 N 4.66 0.73 -0.34 3.92 -2.24 -1.26 -3.95 114.28 115.79 1dna n THR 78 Ca -0.20 -0.86 0.35 0.00 -2.27 0.00 0.00 64.05 61.07 1dna n THR 78 Cb 0.50 0.69 0.74 0.00 -2.10 0.00 0.00 70.33 70.16 1dna n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1dna h ILE 79 N 1.93 0.39 -0.18 2.28 3.07 -1.97 -1.64 117.51 121.39 1dna h ILE 79 Ca 0.00 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.40 1dna h ILE 79 Cb 0.64 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.55 1dna h ILE 79 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 1dna n TRP 80 N -4.20 0.22 -0.20 0.16 7.02 -1.26 -4.70 117.44 114.47 1dna n TRP 80 Ca 0.27 -0.13 0.01 0.00 -1.02 0.00 0.00 57.50 56.62 1dna n TRP 80 Cb 1.26 -0.00 0.11 0.00 -2.42 0.00 0.00 31.31 30.26 1dna n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1dna h ASP 81 N 3.84 0.11 0.00 -0.99 5.19 -1.64 -2.69 116.42 120.23 1dna h ASP 81 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1dna h ASP 81 Cb 0.85 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.47 1dna h ASP 81 CO 0.00 0.06 0.00 -0.33 -3.12 0.00 0.00 179.24 175.86 1dna h GLU 82 N 0.33 0.00 0.00 3.56 3.07 -1.84 -2.83 114.58 116.87 1dna h GLU 82 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1dna h GLU 82 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1dna h GLU 82 CO -0.36 0.00 -0.77 0.91 -1.40 0.00 0.00 179.01 177.39 1dna n TRP 83 N -2.37 0.00 -2.21 4.33 8.01 -1.02 -5.02 117.44 119.16 1dna n TRP 83 Ca -0.02 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1dna n TRP 83 Cb 0.04 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.31 29.26 1dna n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1dna s ALA 84 N -2.18 2.86 0.56 6.99 0.00 -1.07 -4.84 121.76 124.09 1dna s ALA 84 Ca 0.02 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1dna s ALA 84 Cb 0.07 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1dna s ALA 84 CO 0.42 -0.57 0.00 -0.40 0.00 0.00 0.00 175.76 175.21 1dna n ASP 85 N -1.79 0.00 -0.10 0.00 5.75 -0.64 -4.86 116.55 114.91 1dna n ASP 85 Ca 0.08 -0.98 0.13 0.00 -0.01 0.00 0.00 54.79 54.01 1dna n ASP 85 Cb 0.53 0.00 0.51 0.00 -1.03 0.00 0.00 41.12 41.13 1dna n ASP 85 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1dna h GLU 86 N 0.00 0.38 -0.45 0.11 3.07 -1.98 0.56 114.58 116.27 1dna h GLU 86 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1dna h GLU 86 Cb 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1dna h GLU 86 CO 0.00 0.25 0.00 0.09 -1.40 0.00 0.00 179.01 177.95 1dna n ASN 87 N -4.47 2.74 0.00 1.42 4.13 -1.26 -4.93 115.26 112.90 1dna n ASN 87 Ca 0.11 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.42 1dna n ASN 87 Cb 0.43 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.37 1dna n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dna n GLY 88 N 1.33 0.63 3.80 7.41 0.00 0.19 -4.91 105.19 113.64 1dna n GLY 88 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1dna n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dna s ASP 89 N -2.41 7.21 0.00 1.61 1.01 -1.26 -1.80 116.67 121.04 1dna s ASP 89 Ca 0.00 1.64 0.09 0.00 0.71 0.00 0.00 52.55 54.98 1dna s ASP 89 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1dna s ASP 89 CO 0.00 -0.01 0.51 0.18 0.21 0.00 0.00 175.17 176.06 1dna n LEU 90 N 0.66 0.87 0.00 1.23 4.77 -1.02 -1.62 117.00 121.90 1dna n LEU 90 Ca -0.00 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1dna n LEU 90 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1dna n LEU 90 CO 0.44 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1dna n GLY 91 N 0.97 -3.71 3.02 -0.72 0.00 -1.26 -0.25 105.19 103.23 1dna n GLY 91 Ca 0.03 -1.95 -0.43 0.00 0.00 0.00 0.00 46.02 43.67 1dna n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dna n PRO 92 N -0.28 1.85 0.00 1.61 -0.04 -1.26 -4.84 135.00 132.04 1dna n PRO 92 Ca 0.00 -2.05 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1dna n PRO 92 Cb 0.00 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 1dna n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1dna n VAL 93 N 5.81 0.00 0.00 0.52 0.24 -1.26 -4.58 118.33 119.06 1dna n VAL 93 Ca 0.50 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.80 1dna n VAL 93 Cb 0.40 -1.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.22 1dna n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1dna n TYR 94 N 0.00 0.00 -0.28 6.34 4.01 -1.26 -1.20 117.16 124.77 1dna n TYR 94 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 1dna n TYR 94 Cb 0.00 -0.19 0.20 0.00 -0.31 0.00 0.00 39.34 39.04 1dna n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1dna h GLY 95 N 0.00 1.00 0.87 2.72 0.00 -1.75 0.16 103.07 106.08 1dna h GLY 95 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dna h GLY 95 CO 0.00 -0.34 -0.00 1.70 0.00 0.00 0.00 176.54 177.90 1dna h LYS 96 N 0.11 -0.00 -0.69 4.80 1.63 -1.31 -2.09 116.57 119.02 1dna h LYS 96 Ca 0.47 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.21 1dna h LYS 96 Cb 0.87 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 1dna h LYS 96 CO -0.71 0.12 0.20 1.96 -3.45 0.00 0.00 179.45 177.58 1dna h GLN 97 N -0.13 1.09 -0.22 1.90 1.08 -0.81 0.39 115.11 118.41 1dna h GLN 97 Ca -0.00 -0.24 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1dna h GLN 97 Cb 0.13 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 1dna h GLN 97 CO 0.00 0.95 0.12 -1.49 -0.95 0.00 0.00 178.83 177.46 1dna h TRP 98 N 1.02 0.23 0.00 2.96 4.06 -0.93 -2.97 115.95 120.32 1dna h TRP 98 Ca 0.22 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 61.13 1dna h TRP 98 Cb 0.32 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1dna h TRP 98 CO 0.03 0.13 -1.47 0.54 -3.56 0.00 0.00 178.44 174.11 1dna n ARG 99 N -4.97 0.63 -2.87 0.49 5.12 -0.79 -1.12 116.66 113.15 1dna n ARG 99 Ca -0.03 0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 1dna n ARG 99 Cb 0.05 -1.71 0.05 0.00 -1.16 0.00 0.00 32.46 29.69 1dna n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1dna n ALA 100 N -2.27 0.37 -1.67 7.54 0.00 0.14 -3.74 120.51 120.87 1dna n ALA 100 Ca -0.05 -2.11 -0.42 0.00 0.00 0.00 0.00 53.44 50.86 1dna n ALA 100 Cb 0.64 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1dna n ALA 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1dna n TRP 101 N 0.26 2.53 -2.41 0.00 -0.00 -0.52 -4.61 117.44 112.68 1dna n TRP 101 Ca 0.11 -0.34 -0.42 0.00 -0.00 0.00 0.00 57.50 56.86 1dna n TRP 101 Cb 0.70 -2.79 -0.03 0.00 -0.00 0.00 0.00 31.31 29.19 1dna n TRP 101 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1dna s PRO 102 N 4.16 4.47 0.27 5.87 0.02 -1.26 -1.10 135.00 147.43 1dna s PRO 102 Ca 0.88 1.80 0.06 0.00 0.02 0.00 0.00 61.00 63.76 1dna s PRO 102 Cb -0.45 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 1dna s PRO 102 CO 0.41 -0.15 0.33 0.95 -0.33 0.00 0.00 177.00 178.21 1dna s THR 103 N 0.50 4.63 0.27 0.99 -4.23 -0.51 -4.98 115.64 112.32 1dna s THR 103 Ca 0.55 -1.13 0.27 0.00 -1.18 0.00 0.00 61.69 60.20 1dna s THR 103 Cb -0.31 -3.58 0.28 0.00 1.34 0.00 0.00 72.50 70.23 1dna s THR 103 CO 0.32 -0.28 1.97 -0.65 -0.54 0.00 0.00 174.62 175.44 1dna h PRO 104 N 1.20 0.00 -0.62 3.99 0.11 -1.97 -2.95 132.00 131.76 1dna h PRO 104 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1dna h PRO 104 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1dna h PRO 104 CO 0.59 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1dna n ASP 105 N -3.45 3.45 0.00 -2.05 5.68 -1.26 -4.91 116.55 114.01 1dna n ASP 105 Ca -0.01 -2.35 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 1dna n ASP 105 Cb 0.32 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 1dna n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dna n GLY 106 N 0.78 0.85 3.93 6.12 0.00 -1.11 -5.07 105.19 110.70 1dna n GLY 106 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1dna n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dna s ARG 107 N -0.57 1.52 -0.06 1.61 0.52 -1.26 -4.87 118.95 115.84 1dna s ARG 107 Ca 0.00 -0.37 -0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1dna s ARG 107 Cb 0.00 -2.04 0.04 0.00 0.52 0.00 0.00 34.95 33.47 1dna s ARG 107 CO 0.00 -1.76 0.11 -1.01 0.02 0.00 0.00 175.30 172.66 1dna s HIS 108 N -3.52 -0.09 -0.20 -0.53 3.76 -1.26 -1.42 115.29 112.03 1dna s HIS 108 Ca 0.66 0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 55.90 1dna s HIS 108 Cb -0.07 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.35 1dna s HIS 108 CO 0.48 -0.18 0.06 0.42 -0.85 0.00 0.00 174.74 174.67 1dna s ILE 109 N 1.58 4.56 -0.76 0.60 1.01 -0.26 -4.87 121.20 123.07 1dna s ILE 109 Ca -0.04 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.32 1dna s ILE 109 Cb -0.12 -3.07 0.13 0.00 0.01 0.00 0.00 42.46 39.41 1dna s ILE 109 CO -0.05 0.42 0.88 -0.62 0.00 0.00 0.00 174.94 175.58 1dna s ASP 110 N 0.77 6.44 0.36 3.58 -1.08 -1.25 -1.45 116.67 124.06 1dna s ASP 110 Ca 0.03 -1.84 0.06 0.00 -0.52 0.00 0.00 52.55 50.28 1dna s ASP 110 Cb -0.14 -2.33 0.70 0.00 -1.46 0.00 0.00 42.92 39.69 1dna s ASP 110 CO 0.02 -1.02 1.93 1.56 0.52 0.00 0.00 175.17 178.18 1dna h GLN 111 N 8.83 0.50 -0.34 4.34 4.20 -1.36 -2.07 115.11 129.21 1dna h GLN 111 Ca -0.07 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1dna h GLN 111 Cb 1.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1dna h GLN 111 CO 1.04 0.48 0.03 0.82 -0.67 0.00 0.00 178.83 180.54 1dna h ILE 112 N 0.49 1.25 -0.39 2.54 1.08 -1.88 -1.26 117.51 119.34 1dna h ILE 112 Ca 0.11 -0.88 -0.07 0.00 -0.39 0.00 0.00 64.86 63.63 1dna h ILE 112 Cb 0.22 1.16 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1dna h ILE 112 CO -0.00 0.29 -0.04 0.74 -0.69 0.00 0.00 178.15 178.46 1dna h THR 113 N 0.40 1.27 -0.74 -0.27 2.02 -1.85 -1.97 112.91 111.77 1dna h THR 113 Ca 0.10 -1.07 0.09 0.00 0.77 0.00 0.00 66.41 66.30 1dna h THR 113 Cb 0.39 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.91 1dna h THR 113 CO 0.01 0.36 0.39 0.74 0.37 0.00 0.00 175.52 177.39 1dna h THR 114 N 0.53 0.88 -0.52 3.16 2.02 -1.25 -0.77 112.91 116.95 1dna h THR 114 Ca 0.11 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1dna h THR 114 Cb 0.53 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1dna h THR 114 CO 0.03 0.12 0.08 0.58 0.37 0.00 0.00 175.52 176.70 1dna h VAL 115 N 0.67 1.25 -0.37 3.16 2.07 -1.01 -1.80 116.25 120.23 1dna h VAL 115 Ca 0.36 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1dna h VAL 115 Cb 0.35 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1dna h VAL 115 CO -0.25 0.34 0.24 -0.07 0.02 0.00 0.00 177.57 177.84 1dna h LEU 116 N 0.74 0.41 -1.21 2.57 3.38 -0.55 0.07 115.31 120.72 1dna h LEU 116 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dna h LEU 116 Cb 0.40 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1dna h LEU 116 CO 0.01 0.30 0.35 0.78 0.09 0.00 0.00 178.44 179.97 1dna h ASN 117 N 0.49 0.80 -0.22 -0.43 2.35 -1.01 -2.64 115.58 114.93 1dna h ASN 117 Ca 0.14 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1dna h ASN 117 Cb -0.05 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1dna h ASN 117 CO -0.04 0.65 -0.10 1.56 -1.65 0.00 0.00 177.43 177.86 1dna h GLN 118 N 0.91 0.45 -0.07 0.81 4.20 -0.70 -0.75 115.11 119.96 1dna h GLN 118 Ca 0.23 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1dna h GLN 118 Cb 0.03 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1dna h GLN 118 CO -0.04 0.73 0.05 -0.07 -0.67 0.00 0.00 178.83 178.83 1dna h LEU 119 N 0.16 0.01 0.01 1.46 3.38 -0.73 0.38 115.31 119.99 1dna h LEU 119 Ca 0.05 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.77 1dna h LEU 119 Cb 0.59 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1dna h LEU 119 CO 0.03 0.00 -1.37 0.29 0.09 0.00 0.00 178.44 177.49 1dna n LYS 120 N -4.52 0.59 0.03 1.13 5.02 -1.02 -4.02 118.16 115.37 1dna n LYS 120 Ca -0.01 0.54 -0.04 0.00 -2.02 0.00 0.00 58.31 56.77 1dna n LYS 120 Cb 0.15 -1.74 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 1dna n LYS 120 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1dna h ASN 121 N -0.88 0.00 -1.41 4.39 2.35 -1.09 -3.41 115.58 115.53 1dna h ASN 121 Ca -0.37 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 54.98 1dna h ASN 121 Cb 1.39 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.42 1dna h ASN 121 CO -0.18 0.81 -1.01 -0.67 -1.65 0.00 0.00 177.43 174.73 1dna n ASP 122 N -3.06 0.12 0.15 5.81 2.03 0.13 -4.97 116.55 116.76 1dna n ASP 122 Ca -0.10 -3.11 0.10 0.00 0.52 0.00 0.00 54.79 52.20 1dna n ASP 122 Cb 0.93 -0.01 0.53 0.00 -0.72 0.00 0.00 41.12 41.85 1dna n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1dna n PRO 123 N 0.23 0.12 0.00 -0.67 -0.04 -0.68 -0.98 135.00 132.99 1dna n PRO 123 Ca 0.18 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 1dna n PRO 123 Cb 0.69 -1.94 0.44 0.00 -0.04 0.00 0.00 33.50 32.65 1dna n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1dna n ASP 124 N -2.18 1.46 -4.75 3.54 8.00 -1.26 -4.11 116.55 117.25 1dna n ASP 124 Ca -0.01 -1.34 -0.39 0.00 0.71 0.00 0.00 54.79 53.76 1dna n ASP 124 Cb 0.06 0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1dna n ASP 124 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1dna s SER 125 N -2.17 5.46 -0.25 -2.24 0.15 -0.15 -4.91 113.70 109.59 1dna s SER 125 Ca 0.32 2.77 0.13 0.00 0.70 0.00 0.00 55.95 59.88 1dna s SER 125 Cb 0.20 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.51 1dna s SER 125 CO 0.40 -1.44 1.59 0.54 1.20 0.00 0.00 173.24 175.53 1dna n ARG 126 N -0.80 3.28 -0.12 5.44 1.74 -1.26 -4.29 116.66 120.64 1dna n ARG 126 Ca 0.09 -3.01 0.04 0.00 -0.77 0.00 0.00 57.85 54.20 1dna n ARG 126 Cb 0.44 -2.01 0.06 0.00 -1.02 0.00 0.00 32.46 29.93 1dna n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1dna n ARG 127 N -0.34 1.36 -2.41 5.56 1.74 -1.26 -4.95 116.66 116.36 1dna n ARG 127 Ca 0.30 -1.72 -0.38 0.00 -0.77 0.00 0.00 57.85 55.29 1dna n ARG 127 Cb 1.11 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.48 1dna n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dna s ILE 128 N -1.45 3.90 0.05 0.55 1.01 -1.26 -4.90 121.20 119.09 1dna s ILE 128 Ca 0.13 -1.39 0.05 0.00 0.00 0.00 0.00 60.65 59.44 1dna s ILE 128 Cb 0.11 -4.94 -0.02 0.00 0.01 0.00 0.00 42.46 37.62 1dna s ILE 128 CO 0.01 -1.67 -0.15 -0.63 0.00 0.00 0.00 174.94 172.50 1dna s ILE 129 N 6.51 1.17 -0.09 2.92 1.01 -1.26 -1.26 121.20 130.19 1dna s ILE 129 Ca 0.58 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1dna s ILE 129 Cb 0.01 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.43 1dna s ILE 129 CO 0.06 -0.04 -0.13 -0.69 0.00 0.00 0.00 174.94 174.14 1dna s VAL 130 N -0.96 1.31 -0.06 2.92 1.01 -0.76 -4.92 120.40 118.95 1dna s VAL 130 Ca 0.01 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1dna s VAL 130 Cb -0.08 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1dna s VAL 130 CO 0.02 0.40 -0.19 -0.55 0.00 0.00 0.00 175.10 174.78 1dna s SER 131 N 0.98 2.39 -0.01 3.32 0.15 -1.26 -1.98 113.70 117.30 1dna s SER 131 Ca -0.08 -0.40 0.21 0.00 0.70 0.00 0.00 55.95 56.37 1dna s SER 131 Cb -0.15 -0.82 -0.25 0.00 -1.71 0.00 0.00 66.02 63.09 1dna s SER 131 CO -0.01 0.15 0.78 0.00 1.20 0.00 0.00 173.24 175.36 1dna n ALA 132 N 3.30 4.25 -2.30 5.45 0.00 -0.31 -4.66 120.51 126.24 1dna n ALA 132 Ca -0.19 -0.56 -0.35 0.00 0.00 0.00 0.00 53.44 52.33 1dna n ALA 132 Cb 0.53 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1dna n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1dna n TRP 133 N -1.66 3.64 -3.16 0.00 -0.00 -1.16 -4.88 117.44 110.22 1dna n TRP 133 Ca 0.02 -2.12 -0.45 0.00 -0.00 0.00 0.00 57.50 54.95 1dna n TRP 133 Cb 0.37 -2.63 -0.03 0.00 -0.00 0.00 0.00 31.31 29.02 1dna n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1dna s ASN 134 N 5.40 6.50 0.29 5.87 3.84 -1.26 -4.91 114.94 130.66 1dna s ASN 134 Ca 0.62 -2.06 0.03 0.00 0.21 0.00 0.00 52.86 51.66 1dna s ASN 134 Cb 0.02 -2.29 0.71 0.00 -0.55 0.00 0.00 41.25 39.14 1dna s ASN 134 CO 0.11 -0.89 1.68 0.58 -2.79 0.00 0.00 177.10 175.78 1dna h VAL 135 N 5.49 0.42 0.00 -5.21 2.07 -2.01 -0.38 116.25 116.63 1dna h VAL 135 Ca -0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1dna h VAL 135 Cb 1.06 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1dna h VAL 135 CO 0.98 0.06 0.00 0.61 0.02 0.00 0.00 177.57 179.23 1dna n GLY 136 N -1.35 -1.01 0.00 2.17 0.00 -1.26 -3.18 105.19 100.56 1dna n GLY 136 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1dna n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dna n GLU 137 N -1.54 -0.24 -0.10 1.61 1.02 -0.21 -4.76 120.64 116.42 1dna n GLU 137 Ca 0.03 -0.56 0.22 0.00 -0.02 0.00 0.00 57.16 56.84 1dna n GLU 137 Cb 0.17 -0.90 0.66 0.00 -0.02 0.00 0.00 31.44 31.35 1dna n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1dna h LEU 138 N 0.00 0.09 -0.59 -4.62 3.38 -1.36 0.10 115.31 112.32 1dna h LEU 138 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dna h LEU 138 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dna h LEU 138 CO 0.00 0.04 0.00 -0.90 0.09 0.00 0.00 178.44 177.67 1dna n ASP 139 N -4.37 0.69 -0.80 -0.43 5.75 -1.26 -2.43 116.55 113.70 1dna n ASP 139 Ca 0.14 0.65 0.10 0.00 -0.01 0.00 0.00 54.79 55.67 1dna n ASP 139 Cb 0.72 -0.80 0.08 0.00 -1.03 0.00 0.00 41.12 40.08 1dna n ASP 139 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1dna n LYS 140 N -2.24 1.87 -3.36 0.11 5.02 0.35 -4.96 118.16 114.95 1dna n LYS 140 Ca 0.03 -1.66 -0.38 0.00 -2.02 0.00 0.00 58.31 54.27 1dna n LYS 140 Cb 0.26 -1.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1dna n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1dna s MET 141 N -1.82 4.11 0.41 1.97 -1.94 -1.02 -4.04 119.30 116.98 1dna s MET 141 Ca 0.24 0.58 0.10 0.00 -1.71 0.00 0.00 55.69 54.90 1dna s MET 141 Cb 0.17 -3.26 0.88 0.00 2.01 0.00 0.00 34.83 34.64 1dna s MET 141 CO 0.29 0.59 1.98 0.00 -0.01 0.00 0.00 175.02 177.88 1dna h ALA 142 N 4.90 1.63 -2.27 3.03 0.00 -0.94 -3.42 119.26 122.19 1dna h ALA 142 Ca -0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1dna h ALA 142 Cb 1.21 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.68 1dna h ALA 142 CO 0.64 0.28 -0.15 -1.17 0.00 0.00 0.00 179.25 178.85 1dna s LEU 143 N -8.94 -0.67 0.35 0.00 2.96 -1.26 -5.06 118.68 106.06 1dna s LEU 143 Ca -0.06 1.26 -0.28 0.00 -0.22 0.00 0.00 54.13 54.83 1dna s LEU 143 Cb 0.16 1.92 -0.12 0.00 0.50 0.00 0.00 46.19 48.65 1dna s LEU 143 CO 0.72 -0.22 1.42 0.00 -1.32 0.00 0.00 176.35 176.95 1dna n ALA 144 N 4.60 1.92 -1.68 5.97 0.00 -1.26 -4.87 120.51 125.19 1dna n ALA 144 Ca -0.18 0.35 -0.49 0.00 0.00 0.00 0.00 53.44 53.12 1dna n ALA 144 Cb 0.55 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 1dna n ALA 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dna n PRO 145 N 0.71 1.97 0.05 0.00 -0.02 -1.26 -4.93 135.00 131.52 1dna n PRO 145 Ca 0.04 0.72 -0.04 0.00 -2.02 0.00 0.00 63.50 62.20 1dna n PRO 145 Cb 0.37 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 1dna n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dna s HIS 147 N -2.33 2.81 -1.39 0.00 0.00 -1.26 -0.94 115.29 112.19 1dna s HIS 147 Ca -0.04 -0.77 0.15 0.00 -3.00 0.00 0.00 55.06 51.40 1dna s HIS 147 Cb 0.00 -4.23 0.01 0.00 -4.00 0.00 0.00 32.58 24.36 1dna s HIS 147 CO 0.11 -1.55 0.82 0.00 -1.00 0.00 0.00 174.74 173.11 1dna n ALA 148 N 7.22 3.00 -3.59 -1.38 0.00 -1.15 -4.85 120.51 119.76 1dna n ALA 148 Ca -0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 52.78 1dna n ALA 148 Cb 0.45 -0.51 -0.08 0.00 0.00 0.00 0.00 19.45 19.32 1dna n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1dna s PHE 149 N -1.69 -0.79 -0.08 0.00 2.19 -1.21 -1.16 117.98 115.25 1dna s PHE 149 Ca 0.13 1.83 -0.14 0.00 0.33 0.00 0.00 56.93 59.08 1dna s PHE 149 Cb 0.12 0.33 0.03 0.00 -1.31 0.00 0.00 43.02 42.19 1dna s PHE 149 CO 0.34 -0.39 0.34 -0.59 1.83 0.00 0.00 175.22 176.76 1dna s PHE 150 N 0.66 -0.30 -0.02 10.12 -0.71 -0.84 -0.52 117.98 126.37 1dna s PHE 150 Ca -0.02 0.64 0.05 0.00 -1.04 0.00 0.00 56.93 56.56 1dna s PHE 150 Cb -0.05 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1dna s PHE 150 CO -0.04 -0.29 -0.18 -1.14 -1.34 0.00 0.00 175.22 172.23 1dna s GLN 151 N -0.54 1.56 0.15 1.99 0.74 -0.27 -1.82 119.66 121.46 1dna s GLN 151 Ca -0.07 -0.65 0.03 0.00 0.05 0.00 0.00 55.36 54.72 1dna s GLN 151 Cb -0.04 -1.47 -0.04 0.00 1.10 0.00 0.00 33.01 32.57 1dna s GLN 151 CO 0.02 0.37 0.28 -0.06 -0.55 0.00 0.00 175.29 175.35 1dna s PHE 152 N -0.35 3.47 -0.02 1.67 0.08 -0.39 -0.79 117.98 121.65 1dna s PHE 152 Ca 0.05 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.08 1dna s PHE 152 Cb -0.08 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1dna s PHE 152 CO -0.00 0.51 0.28 -0.47 -0.10 0.00 0.00 175.22 175.45 1dna s TYR 153 N -1.75 -0.16 -0.03 0.36 5.04 -0.22 -4.65 117.35 115.94 1dna s TYR 153 Ca 0.34 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.26 1dna s TYR 153 Cb -0.11 0.08 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1dna s TYR 153 CO 0.28 -0.35 -0.08 0.08 -1.34 0.00 0.00 175.55 174.14 1dna s VAL 154 N -1.18 0.76 -0.26 3.14 1.01 -1.26 -0.60 120.40 122.01 1dna s VAL 154 Ca -0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.33 1dna s VAL 154 Cb -0.05 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1dna s VAL 154 CO 0.03 0.25 0.68 0.00 0.00 0.00 0.00 175.10 176.07 1dna s ALA 155 N 0.39 -1.74 -1.44 5.51 0.00 -0.82 -4.88 121.76 118.78 1dna s ALA 155 Ca -0.06 2.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.92 1dna s ALA 155 Cb -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1dna s ALA 155 CO 0.01 -0.34 0.39 -0.25 0.00 0.00 0.00 175.76 175.57 1dna n ASP 156 N 3.21 -5.13 -1.33 0.00 8.00 -1.26 -0.71 116.55 119.33 1dna n ASP 156 Ca -0.16 -0.19 -0.16 0.00 0.71 0.00 0.00 54.79 54.99 1dna n ASP 156 Cb 0.56 -4.21 -0.06 0.00 -0.02 0.00 0.00 41.12 37.40 1dna n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dna n GLY 157 N -1.24 1.22 3.42 0.44 0.00 -1.26 -4.98 105.19 102.80 1dna n GLY 157 Ca -0.11 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1dna n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dna s LYS 158 N -3.63 2.24 -0.26 1.61 1.02 0.12 -1.60 119.74 119.23 1dna s LYS 158 Ca 0.00 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.02 1dna s LYS 158 Cb 0.00 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 1dna s LYS 158 CO 0.00 0.58 0.18 -1.17 -0.92 0.00 0.00 175.35 174.01 1dna s LEU 159 N -0.95 4.07 0.26 3.17 2.96 0.11 -1.95 118.68 126.35 1dna s LEU 159 Ca 0.12 0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.19 1dna s LEU 159 Cb -0.10 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.43 1dna s LEU 159 CO 0.02 0.01 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.51 1dna s SER 160 N 1.40 4.08 -0.11 3.68 0.01 0.23 0.22 113.70 123.21 1dna s SER 160 Ca 0.07 -0.81 -0.07 0.00 1.31 0.00 0.00 55.95 56.45 1dna s SER 160 Cb -0.15 -0.58 0.04 0.00 0.21 0.00 0.00 66.02 65.54 1dna s SER 160 CO 0.08 0.03 0.26 0.00 0.41 0.00 0.00 173.24 174.02 1dna s GLN 162 N 0.76 3.21 -0.08 0.00 0.74 0.03 -0.33 119.66 123.99 1dna s GLN 162 Ca -0.05 -0.79 0.02 0.00 0.05 0.00 0.00 55.36 54.59 1dna s GLN 162 Cb -0.06 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 1dna s GLN 162 CO -0.05 0.19 -0.11 -1.17 -0.55 0.00 0.00 175.29 173.61 1dna s LEU 163 N 0.35 2.92 -0.34 3.68 2.96 -0.16 -1.12 118.68 126.98 1dna s LEU 163 Ca -0.15 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1dna s LEU 163 Cb -0.17 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.93 1dna s LEU 163 CO 0.07 0.31 0.10 -0.47 -1.32 0.00 0.00 176.35 175.05 1dna s TYR 164 N -0.51 3.25 -0.35 5.38 5.04 0.32 -1.07 117.35 129.41 1dna s TYR 164 Ca 0.07 -1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 53.19 1dna s TYR 164 Cb -0.12 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.93 1dna s TYR 164 CO 0.02 -0.72 0.19 -1.14 -1.34 0.00 0.00 175.55 172.56 1dna s GLN 165 N 1.41 3.08 0.26 4.97 0.74 -0.01 -2.96 119.66 127.15 1dna s GLN 165 Ca -0.01 -0.90 -0.04 0.00 0.05 0.00 0.00 55.36 54.45 1dna s GLN 165 Cb -0.19 -3.69 0.31 0.00 1.10 0.00 0.00 33.01 30.54 1dna s GLN 165 CO 0.03 -0.57 1.81 0.07 -0.55 0.00 0.00 175.29 176.07 1dna h ARG 166 N 8.42 0.98 -4.51 1.67 0.11 -1.34 0.31 114.38 120.02 1dna h ARG 166 Ca -0.29 -0.19 -0.38 0.00 0.10 0.00 0.00 59.98 59.22 1dna h ARG 166 Cb 1.13 -0.15 -0.30 0.00 1.11 0.00 0.00 29.97 31.76 1dna h ARG 166 CO 0.65 0.83 -0.77 0.45 0.10 0.00 0.00 179.97 181.23 1dna s SER 167 N -6.49 0.95 -0.03 0.08 0.15 -1.25 -0.56 113.70 106.54 1dna s SER 167 Ca -0.11 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1dna s SER 167 Cb 0.16 -0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1dna s SER 167 CO 0.82 0.07 0.04 0.00 1.20 0.00 0.00 173.24 175.36 1dna s ASN 169 N 1.55 6.55 0.24 0.00 3.84 -1.26 -1.27 114.94 124.58 1dna s ASN 169 Ca -0.03 -2.15 -0.07 0.00 0.21 0.00 0.00 52.86 50.82 1dna s ASN 169 Cb -0.13 -2.29 0.41 0.00 -0.55 0.00 0.00 41.25 38.70 1dna s ASN 169 CO -0.03 -0.86 1.65 0.58 -2.79 0.00 0.00 177.10 175.65 1dna h VAL 170 N 5.42 0.39 -0.03 -5.21 2.07 -1.57 -1.55 116.25 115.77 1dna h VAL 170 Ca -0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1dna h VAL 170 Cb 1.05 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1dna h VAL 170 CO 0.95 0.02 -0.06 0.15 0.02 0.00 0.00 177.57 178.65 1dna h PHE 171 N 0.13 0.13 0.00 1.57 3.57 -1.92 -3.35 116.94 117.06 1dna h PHE 171 Ca 0.40 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1dna h PHE 171 Cb 0.69 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.40 1dna h PHE 171 CO -0.39 0.64 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.92 1dna h LEU 172 N -0.43 0.00 -0.04 0.59 3.38 -1.95 -3.44 115.31 113.44 1dna h LEU 172 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1dna h LEU 172 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1dna h LEU 172 CO 0.01 0.63 -0.03 1.23 0.09 0.00 0.00 178.44 180.38 1dna h GLY 173 N -0.91 0.09 -0.36 0.83 0.00 -1.54 -3.37 103.07 97.82 1dna h GLY 173 Ca 0.00 -0.09 0.18 0.00 0.00 0.00 0.00 47.33 47.43 1dna h GLY 173 CO 0.00 0.08 0.07 -2.00 0.00 0.00 0.00 176.54 174.69 1dna h LEU 174 N -0.34 -0.24 -0.96 3.11 5.85 -1.60 -0.02 115.31 121.11 1dna h LEU 174 Ca 0.01 0.19 0.10 0.00 0.84 0.00 0.00 57.88 59.02 1dna h LEU 174 Cb 0.49 0.32 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 1dna h LEU 174 CO 0.01 -0.16 0.60 -0.65 -0.34 0.00 0.00 178.44 177.90 1dna h PRO 175 N 0.14 0.98 0.03 5.25 0.11 -1.77 -0.57 132.00 136.17 1dna h PRO 175 Ca 0.44 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.49 1dna h PRO 175 Cb 0.81 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1dna h PRO 175 CO -0.65 0.65 -0.01 0.74 -0.21 0.00 0.00 178.00 178.52 1dna h PHE 176 N 1.01 -0.04 -0.64 0.65 -1.00 -1.25 -3.04 116.94 112.64 1dna h PHE 176 Ca 0.45 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.32 1dna h PHE 176 Cb 0.35 0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.86 1dna h PHE 176 CO -0.01 0.32 0.28 -0.91 -1.61 0.00 0.00 178.31 176.38 1dna h ASN 177 N -0.39 0.34 0.12 2.17 -0.26 -0.65 -0.20 115.58 116.71 1dna h ASN 177 Ca -0.00 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1dna h ASN 177 Cb 0.37 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1dna h ASN 177 CO 0.01 0.20 -0.06 0.40 -1.06 0.00 0.00 177.43 176.92 1dna h ILE 178 N 0.50 0.97 -0.60 2.81 2.04 -1.17 -2.37 117.51 119.68 1dna h ILE 178 Ca 0.31 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1dna h ILE 178 Cb 0.35 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1dna h ILE 178 CO -0.27 0.09 0.21 0.00 0.00 0.00 0.00 178.15 178.17 1dna h ALA 179 N 0.52 1.23 -0.01 1.87 0.00 -1.38 -1.35 119.26 120.14 1dna h ALA 179 Ca -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1dna h ALA 179 Cb 0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1dna h ALA 179 CO 0.03 0.55 0.01 1.03 0.00 0.00 0.00 179.25 180.86 1dna h SER 180 N 0.87 0.01 0.30 0.00 0.87 -0.95 -1.68 113.55 112.98 1dna h SER 180 Ca 0.20 -0.06 -0.14 0.00 -1.23 0.00 0.00 61.79 60.56 1dna h SER 180 Cb 0.22 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1dna h SER 180 CO -0.01 0.07 -0.58 1.88 -0.53 0.00 0.00 176.83 177.66 1dna h TYR 181 N -0.04 0.37 -0.10 2.24 -1.99 -1.24 -2.14 116.97 114.06 1dna h TYR 181 Ca 0.00 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.54 1dna h TYR 181 Cb 0.06 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1dna h TYR 181 CO -0.06 0.80 -0.21 0.00 -0.00 0.00 0.00 178.16 178.69 1dna h ALA 182 N 1.18 1.46 -0.24 3.88 0.00 -1.15 -1.27 119.26 123.12 1dna h ALA 182 Ca -0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.47 1dna h ALA 182 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1dna h ALA 182 CO 0.09 0.38 -0.61 1.25 0.00 0.00 0.00 179.25 180.37 1dna h LEU 183 N 0.16 0.95 -0.62 0.00 5.85 -1.04 -2.63 115.31 117.97 1dna h LEU 183 Ca 0.03 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1dna h LEU 183 Cb 0.47 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1dna h LEU 183 CO 0.03 1.35 0.27 0.25 -0.34 0.00 0.00 178.44 180.00 1dna h LEU 184 N 0.61 0.85 -0.62 2.25 5.85 -0.69 -1.57 115.31 121.98 1dna h LEU 184 Ca -0.01 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1dna h LEU 184 Cb 1.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1dna h LEU 184 CO 0.13 0.77 0.39 0.58 -0.34 0.00 0.00 178.44 179.97 1dna h VAL 185 N 0.87 1.17 -0.69 1.05 2.07 -1.23 0.45 116.25 119.94 1dna h VAL 185 Ca 0.21 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1dna h VAL 185 Cb 0.17 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1dna h VAL 185 CO -0.02 0.17 0.44 0.45 0.02 0.00 0.00 177.57 178.63 1dna h HIS 186 N 0.84 0.88 -0.33 1.57 3.86 -1.07 0.94 115.15 121.83 1dna h HIS 186 Ca 0.22 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 1dna h HIS 186 Cb -0.06 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 1dna h HIS 186 CO -0.02 0.57 -0.02 0.52 0.86 0.00 0.00 177.93 179.83 1dna h MET 187 N 0.93 0.60 0.10 2.45 2.07 -0.85 -2.07 114.93 118.17 1dna h MET 187 Ca 0.25 -0.20 -0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1dna h MET 187 Cb -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1dna h MET 187 CO -0.05 0.74 -0.05 0.52 1.07 0.00 0.00 176.91 179.14 1dna h MET 188 N 0.40 -0.13 -0.71 1.72 2.86 -0.61 -2.28 114.93 116.18 1dna h MET 188 Ca 0.09 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1dna h MET 188 Cb 0.48 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1dna h MET 188 CO 0.02 -0.03 0.36 0.00 1.06 0.00 0.00 176.91 178.32 1dna h ALA 189 N 0.70 0.98 -0.81 6.32 0.00 -0.80 -0.72 119.26 124.92 1dna h ALA 189 Ca -0.01 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1dna h ALA 189 Cb 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1dna h ALA 189 CO 0.02 -0.03 0.36 0.37 0.00 0.00 0.00 179.25 179.98 1dna h GLN 190 N 0.62 1.18 0.00 0.00 4.15 -1.19 0.81 115.11 120.68 1dna h GLN 190 Ca 0.35 -0.19 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 1dna h GLN 190 Cb 0.35 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1dna h GLN 190 CO -0.26 0.92 -0.46 1.96 -1.93 0.00 0.00 178.83 179.07 1dna h GLN 191 N 1.16 0.00 -0.54 1.69 1.08 -0.68 -3.09 115.11 114.74 1dna h GLN 191 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 1dna h GLN 191 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1dna h GLN 191 CO -0.03 0.46 0.00 0.00 -0.95 0.00 0.00 178.83 178.31 1dna n ASP 193 N 1.39 -5.61 -4.70 0.00 8.00 -0.17 -4.97 116.55 110.49 1dna n ASP 193 Ca 0.20 -0.45 -0.23 0.00 0.71 0.00 0.00 54.79 55.02 1dna n ASP 193 Cb 0.57 -4.50 -0.07 0.00 -0.02 0.00 0.00 41.12 37.11 1dna n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dna s LEU 194 N -6.92 3.26 0.36 0.64 1.43 0.10 -5.03 118.68 112.51 1dna s LEU 194 Ca 0.45 -0.70 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1dna s LEU 194 Cb -0.21 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1dna s LEU 194 CO 0.56 -0.16 0.55 -1.61 0.23 0.00 0.00 176.35 175.92 1dna s GLU 195 N -3.77 3.41 0.31 1.70 0.41 -0.63 -4.30 118.70 115.83 1dna s GLU 195 Ca 0.35 -0.40 -0.27 0.00 -0.41 0.00 0.00 54.97 54.24 1dna s GLU 195 Cb -0.04 -2.66 -0.10 0.00 -1.78 0.00 0.00 34.13 29.55 1dna s GLU 195 CO 0.22 0.10 0.95 0.14 -0.49 0.00 0.00 175.26 176.18 1dna s VAL 196 N -2.33 4.16 0.00 2.63 -7.23 -1.26 0.03 120.40 116.40 1dna s VAL 196 Ca 0.41 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.42 1dna s VAL 196 Cb -0.10 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.80 1dna s VAL 196 CO 0.36 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 1dna n GLY 197 N 0.70 1.44 3.59 2.32 0.00 0.13 -4.59 105.19 108.78 1dna n GLY 197 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1dna n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dna s ASP 198 N 0.51 4.61 -0.30 1.61 1.01 -1.25 -0.86 116.67 122.00 1dna s ASP 198 Ca 0.00 -0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.07 1dna s ASP 198 Cb 0.00 -1.09 0.01 0.00 1.01 0.00 0.00 42.92 42.86 1dna s ASP 198 CO 0.00 0.30 0.08 0.12 0.21 0.00 0.00 175.17 175.87 1dna s PHE 199 N -0.96 3.16 -0.27 4.23 5.36 0.08 -1.37 117.98 128.20 1dna s PHE 199 Ca 0.16 -1.08 -0.10 0.00 -0.96 0.00 0.00 56.93 54.94 1dna s PHE 199 Cb -0.11 -2.25 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1dna s PHE 199 CO 0.06 -0.61 0.17 0.08 -1.46 0.00 0.00 175.22 173.47 1dna s VAL 200 N 1.47 5.20 -0.21 3.12 1.01 0.56 -0.96 120.40 130.60 1dna s VAL 200 Ca 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 1dna s VAL 200 Cb -0.17 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1dna s VAL 200 CO 0.02 0.28 0.07 0.86 0.00 0.00 0.00 175.10 176.33 1dna s TRP 201 N 1.61 3.18 -0.07 5.22 -0.00 -0.05 -0.98 118.94 127.85 1dna s TRP 201 Ca 0.07 -0.11 0.04 0.00 -0.00 0.00 0.00 56.10 56.10 1dna s TRP 201 Cb -0.15 -2.15 -0.00 0.00 -0.00 0.00 0.00 33.47 31.16 1dna s TRP 201 CO 0.09 -0.06 -0.21 0.99 -0.00 0.00 0.00 176.95 177.76 1dna s THR 202 N 0.92 1.75 0.09 5.86 2.01 -0.23 -1.27 115.64 124.76 1dna s THR 202 Ca 0.04 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.26 1dna s THR 202 Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1dna s THR 202 CO 0.03 0.49 -0.23 -0.83 -0.69 0.00 0.00 174.62 173.39 1dna s GLY 203 N 0.18 1.32 0.00 4.40 0.00 -0.15 -0.83 107.32 112.24 1dna s GLY 203 Ca -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1dna s GLY 203 CO 0.05 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.54 1dna n GLY 204 N 1.34 1.12 3.56 0.20 0.00 0.11 -2.78 105.19 108.74 1dna n GLY 204 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1dna n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dna s ASP 205 N -1.00 6.21 -0.30 1.61 -1.08 0.28 -1.82 116.67 120.56 1dna s ASP 205 Ca 0.00 -1.16 -0.19 0.00 -0.52 0.00 0.00 52.55 50.69 1dna s ASP 205 Cb 0.00 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1dna s ASP 205 CO 0.00 -1.77 0.55 -0.89 0.52 0.00 0.00 175.17 173.58 1dna s THR 206 N 5.98 5.01 0.23 1.71 2.01 -0.63 -1.04 115.64 128.92 1dna s THR 206 Ca 0.49 0.71 -0.00 0.00 0.31 0.00 0.00 61.69 63.19 1dna s THR 206 Cb -0.02 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1dna s THR 206 CO -0.05 -0.08 0.20 -1.38 -0.69 0.00 0.00 174.62 172.62 1dna s HIS 207 N 2.44 1.21 -0.06 4.92 -3.43 -0.40 -1.41 115.29 118.55 1dna s HIS 207 Ca 0.22 -1.38 0.01 0.00 -0.80 0.00 0.00 55.06 53.11 1dna s HIS 207 Cb -0.15 -0.51 0.02 0.00 -1.43 0.00 0.00 32.58 30.50 1dna s HIS 207 CO 0.11 -0.73 -0.06 -0.51 -2.00 0.00 0.00 174.74 171.56 1dna s LEU 208 N -3.19 1.29 0.29 5.38 1.43 -0.55 -1.24 118.68 122.09 1dna s LEU 208 Ca 0.38 -0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1dna s LEU 208 Cb 0.05 -0.56 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 1dna s LEU 208 CO 0.15 -0.06 1.22 -0.31 0.23 0.00 0.00 176.35 177.58 1dna s TYR 209 N 1.07 3.31 0.43 0.29 2.02 -1.26 -0.86 117.35 122.34 1dna s TYR 209 Ca -0.08 1.51 0.24 0.00 -0.37 0.00 0.00 57.07 58.37 1dna s TYR 209 Cb -0.14 -3.50 1.24 0.00 -0.40 0.00 0.00 41.96 39.16 1dna s TYR 209 CO -0.01 -1.29 1.73 0.66 -1.57 0.00 0.00 175.55 175.08 1dna h SER 210 N 3.85 0.34 -0.34 2.29 4.64 -1.20 0.16 113.55 123.29 1dna h SER 210 Ca -0.47 0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1dna h SER 210 Cb 1.22 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 63.28 1dna h SER 210 CO 0.68 0.01 0.14 -0.46 -0.87 0.00 0.00 176.83 176.32 1dna n ASN 211 N -4.59 3.18 0.00 4.97 6.94 -1.26 -3.54 115.26 120.96 1dna n ASN 211 Ca 0.29 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 1dna n ASN 211 Cb 1.07 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1dna n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1dna n HIS 212 N 0.03 0.00 -0.16 -2.53 8.25 0.04 -4.81 115.22 116.04 1dna n HIS 212 Ca 0.19 -0.15 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1dna n HIS 212 Cb 0.83 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.97 1dna n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1dna h MET 213 N 0.00 0.51 -0.41 -0.41 2.86 -1.67 -0.33 114.93 115.48 1dna h MET 213 Ca 0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 1dna h MET 213 Cb 0.44 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1dna h MET 213 CO 0.00 0.34 0.02 -0.44 1.06 0.00 0.00 176.91 177.88 1dna h ASP 214 N 0.52 0.69 -0.41 1.22 3.32 -1.89 -1.43 116.42 118.45 1dna h ASP 214 Ca 0.21 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 56.98 1dna h ASP 214 Cb 0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1dna h ASP 214 CO -0.13 0.82 0.25 1.56 -1.72 0.00 0.00 179.24 180.02 1dna h GLN 215 N 0.55 0.49 -0.30 3.56 7.50 -1.87 -0.28 115.11 124.75 1dna h GLN 215 Ca 0.12 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.27 1dna h GLN 215 Cb 0.45 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.84 1dna h GLN 215 CO 0.02 0.32 0.12 1.15 -1.50 0.00 0.00 178.83 178.94 1dna h THR 216 N 0.50 0.94 -0.08 -0.54 2.02 -0.86 -1.07 112.91 113.83 1dna h THR 216 Ca 0.16 -0.09 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 1dna h THR 216 Cb -0.01 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1dna h THR 216 CO -0.07 0.05 -0.40 0.45 0.37 0.00 0.00 175.52 175.92 1dna h HIS 217 N 0.26 0.19 -0.23 3.16 3.86 -0.93 -1.19 115.15 120.27 1dna h HIS 217 Ca 0.13 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1dna h HIS 217 Cb 0.08 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1dna h HIS 217 CO -0.12 0.54 0.04 1.25 0.86 0.00 0.00 177.93 180.50 1dna h LEU 218 N 0.14 0.36 -0.92 2.43 5.85 -0.52 -2.88 115.31 119.76 1dna h LEU 218 Ca 0.01 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1dna h LEU 218 Cb 0.77 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1dna h LEU 218 CO 0.06 0.52 0.17 -0.61 -0.34 0.00 0.00 178.44 178.24 1dna h GLN 219 N 0.19 0.96 0.00 1.25 4.15 -0.96 -2.59 115.11 118.11 1dna h GLN 219 Ca 0.07 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1dna h GLN 219 Cb 0.31 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 1dna h GLN 219 CO 0.00 0.84 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.66 1dna h LEU 220 N 0.92 0.00 -0.49 -2.39 3.38 -1.02 -1.86 115.31 113.85 1dna h LEU 220 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1dna h LEU 220 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1dna h LEU 220 CO -0.00 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.00 1dna n SER 221 N -3.16 0.76 -4.91 -0.43 3.41 -0.97 -4.87 113.62 103.45 1dna n SER 221 Ca -0.02 -1.34 -0.32 0.00 -0.26 0.00 0.00 58.87 56.93 1dna n SER 221 Cb 0.16 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 1dna n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dna s ARG 222 N -1.97 3.48 -0.15 4.33 0.52 -0.70 -5.09 118.95 119.37 1dna s ARG 222 Ca 0.39 -0.31 -0.18 0.00 -0.52 0.00 0.00 55.73 55.12 1dna s ARG 222 Cb 0.20 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1dna s ARG 222 CO 0.32 0.61 0.46 -1.21 0.02 0.00 0.00 175.30 175.50 1dna s GLU 223 N -2.27 4.28 0.34 3.54 0.41 -1.26 -5.03 118.70 118.71 1dna s GLU 223 Ca 0.33 0.38 -0.29 0.00 -0.41 0.00 0.00 54.97 54.97 1dna s GLU 223 Cb -0.13 -3.48 -0.11 0.00 -1.78 0.00 0.00 34.13 28.64 1dna s GLU 223 CO 0.23 0.07 1.43 -2.14 -0.49 0.00 0.00 175.26 174.36 1dna s PRO 224 N 0.92 4.22 0.47 0.39 0.02 -1.26 -4.84 135.00 134.92 1dna s PRO 224 Ca 0.24 2.41 0.08 0.00 0.02 0.00 0.00 61.00 63.75 1dna s PRO 224 Cb -0.15 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.38 1dna s PRO 224 CO 0.09 -0.41 0.65 1.03 -0.33 0.00 0.00 177.00 178.03 1dna s ARG 225 N -1.61 2.66 0.39 5.54 0.52 -1.26 -5.06 118.95 120.13 1dna s ARG 225 Ca 0.53 -1.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.16 1dna s ARG 225 Cb -0.44 -2.71 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 1dna s ARG 225 CO 0.55 -0.47 1.38 -2.30 0.02 0.00 0.00 175.30 174.48 1dna n PRO 226 N -2.00 2.29 -2.23 3.54 -0.02 -1.26 -4.92 135.00 130.41 1dna n PRO 226 Ca 0.10 0.81 -0.39 0.00 -2.02 0.00 0.00 63.50 61.99 1dna n PRO 226 Cb 0.60 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1dna n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1dna s LEU 227 N -1.77 4.32 1.09 2.45 1.43 -1.26 -4.81 118.68 120.12 1dna s LEU 227 Ca 0.57 2.49 -0.15 0.00 -1.03 0.00 0.00 54.13 56.01 1dna s LEU 227 Cb -0.50 -3.83 0.23 0.00 0.03 0.00 0.00 46.19 42.12 1dna s LEU 227 CO 0.61 -0.58 1.09 -2.16 0.23 0.00 0.00 176.35 175.54 1dna s PRO 228 N -2.01 -0.30 -0.06 1.29 0.04 -1.25 -4.71 135.00 128.00 1dna s PRO 228 Ca 0.53 0.32 0.06 0.00 0.04 0.00 0.00 61.00 61.94 1dna s PRO 228 Cb -0.35 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1dna s PRO 228 CO 0.45 -3.18 -0.24 0.15 0.04 0.00 0.00 177.00 174.22 1dna s LYS 229 N -5.08 2.56 -0.21 4.56 -0.14 0.35 -0.80 119.74 120.98 1dna s LYS 229 Ca 0.67 -0.88 -0.12 0.00 -1.36 0.00 0.00 55.97 54.28 1dna s LYS 229 Cb -0.16 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.75 1dna s LYS 229 CO 0.58 0.40 0.23 -1.17 -0.76 0.00 0.00 175.35 174.63 1dna s LEU 230 N -0.20 4.17 -0.21 3.17 2.96 -1.26 -0.99 118.68 126.31 1dna s LEU 230 Ca -0.02 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1dna s LEU 230 Cb -0.13 -2.25 0.05 0.00 0.50 0.00 0.00 46.19 44.36 1dna s LEU 230 CO 0.03 0.07 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.39 1dna s ILE 231 N 0.84 1.79 -0.21 6.68 -1.09 0.12 -4.98 121.20 124.35 1dna s ILE 231 Ca 0.12 -1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 57.23 1dna s ILE 231 Cb -0.13 -1.86 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 1dna s ILE 231 CO 0.04 0.14 0.36 -0.63 -1.23 0.00 0.00 174.94 173.61 1dna s ILE 232 N 1.32 5.23 -1.77 2.92 1.01 -1.26 -0.62 121.20 128.03 1dna s ILE 232 Ca -0.03 0.62 0.26 0.00 0.00 0.00 0.00 60.65 61.50 1dna s ILE 232 Cb -0.17 -3.69 0.21 0.00 0.01 0.00 0.00 42.46 38.82 1dna s ILE 232 CO -0.08 0.27 1.48 0.29 0.00 0.00 0.00 174.94 176.90 1dna n LYS 233 N 4.42 0.86 -3.81 2.79 5.02 -0.26 -4.95 118.16 122.23 1dna n LYS 233 Ca -0.09 -0.55 -0.11 0.00 -2.02 0.00 0.00 58.31 55.53 1dna n LYS 233 Cb 0.51 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 1dna n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1dna s ARG 234 N -2.52 0.73 -0.48 1.97 3.52 -1.26 -5.11 118.95 115.80 1dna s ARG 234 Ca 0.23 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.28 1dna s ARG 234 Cb 0.19 0.31 0.13 0.00 -1.56 0.00 0.00 34.95 34.01 1dna s ARG 234 CO 0.54 -0.22 0.23 0.21 -0.81 0.00 0.00 175.30 175.25 1dna s LYS 235 N -2.53 1.95 1.00 5.12 2.20 -1.26 -5.09 119.74 121.13 1dna s LYS 235 Ca -0.05 -2.35 -0.11 0.00 -0.36 0.00 0.00 55.97 53.10 1dna s LYS 235 Cb -0.01 -3.38 0.20 0.00 -1.51 0.00 0.00 37.83 33.13 1dna s LYS 235 CO -0.03 -1.07 1.11 -2.14 -0.36 0.00 0.00 175.35 172.85 1dna s PRO 236 N 0.17 0.30 0.42 4.03 0.02 -1.26 -4.92 135.00 133.76 1dna s PRO 236 Ca 0.15 1.34 0.12 0.00 0.02 0.00 0.00 61.00 62.63 1dna s PRO 236 Cb -0.23 -1.66 0.88 0.00 0.02 0.00 0.00 34.50 33.51 1dna s PRO 236 CO -0.03 -3.05 1.94 0.93 -0.33 0.00 0.00 177.00 176.46 1dna h GLU 237 N -2.16 0.09 -3.84 5.54 4.39 -1.99 -3.45 114.58 113.15 1dna h GLU 237 Ca -0.49 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.09 1dna h GLU 237 Cb 1.29 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.81 1dna h GLU 237 CO 0.44 0.28 -0.26 -1.54 -1.16 0.00 0.00 179.01 176.77 1dna s SER 238 N -6.95 -0.02 0.56 1.42 1.04 -1.26 -5.03 113.70 103.46 1dna s SER 238 Ca -0.04 -0.92 0.31 0.00 0.48 0.00 0.00 55.95 55.78 1dna s SER 238 Cb 0.15 0.49 1.64 0.00 0.10 0.00 0.00 66.02 68.41 1dna s SER 238 CO 0.71 -0.98 2.13 -0.29 0.98 0.00 0.00 173.24 175.79 1dna h ILE 239 N 2.43 0.40 -0.21 -1.02 6.09 -1.94 -1.49 117.51 121.76 1dna h ILE 239 Ca -0.30 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1dna h ILE 239 Cb 1.24 1.27 0.00 0.00 0.47 0.00 0.00 36.82 39.80 1dna h ILE 239 CO 0.44 0.07 0.00 0.49 -3.07 0.00 0.00 178.15 176.08 1dna n PHE 240 N -3.50 0.27 -0.02 2.19 3.72 -1.26 -4.09 117.46 114.78 1dna n PHE 240 Ca -0.02 -0.14 0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1dna n PHE 240 Cb 0.20 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 38.91 1dna n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1dna n ASP 241 N 0.38 3.01 -4.80 4.37 8.00 -0.56 -5.00 116.55 121.95 1dna n ASP 241 Ca 0.15 -1.91 -0.32 0.00 0.71 0.00 0.00 54.79 53.42 1dna n ASP 241 Cb 0.32 -0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.22 1dna n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1dna s TYR 242 N -1.07 2.91 0.13 1.24 1.51 -1.26 -4.90 117.35 115.91 1dna s TYR 242 Ca 0.28 1.50 0.05 0.00 -1.01 0.00 0.00 57.07 57.89 1dna s TYR 242 Cb 0.15 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1dna s TYR 242 CO 0.21 -1.31 -0.11 1.03 -1.11 0.00 0.00 175.55 174.26 1dna s ARG 243 N -4.35 1.01 0.25 -0.62 0.52 -1.26 -5.05 118.95 109.45 1dna s ARG 243 Ca 0.63 -1.33 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1dna s ARG 243 Cb -0.17 -0.70 0.49 0.00 0.52 0.00 0.00 34.95 35.09 1dna s ARG 243 CO 0.43 0.11 1.72 0.35 0.02 0.00 0.00 175.30 177.93 1dna h PHE 244 N 3.16 0.52 0.00 -0.53 3.57 -1.97 -1.49 116.94 120.20 1dna h PHE 244 Ca -0.38 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.16 1dna h PHE 244 Cb 1.19 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.82 1dna h PHE 244 CO 0.65 0.05 -0.01 0.93 -2.23 0.00 0.00 178.31 177.69 1dna h GLU 245 N 0.44 0.00 0.00 1.11 3.07 -2.03 -2.72 114.58 114.44 1dna h GLU 245 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1dna h GLU 245 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1dna h GLU 245 CO -0.42 0.01 0.00 -0.44 -1.40 0.00 0.00 179.01 176.76 1dna h ASP 246 N 0.00 0.00 -3.22 1.42 3.32 -1.66 -3.44 116.42 112.84 1dna h ASP 246 Ca -0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 1dna h ASP 246 Cb 0.05 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.45 1dna h ASP 246 CO 0.00 0.00 -0.59 -0.36 -1.72 0.00 0.00 179.24 176.57 1dna s PHE 247 N -3.41 3.23 -0.09 4.55 0.08 -1.03 -1.10 117.98 120.21 1dna s PHE 247 Ca 0.03 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.19 1dna s PHE 247 Cb 0.09 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1dna s PHE 247 CO 0.40 0.32 0.00 -2.00 -0.10 0.00 0.00 175.22 173.85 1dna s GLU 248 N -0.27 0.65 -0.22 0.44 -6.30 0.21 -4.99 118.70 108.22 1dna s GLU 248 Ca 0.07 0.01 -0.08 0.00 -2.50 0.00 0.00 54.97 52.47 1dna s GLU 248 Cb -0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 34.13 32.78 1dna s GLU 248 CO 0.02 -0.36 0.10 0.42 0.02 0.00 0.00 175.26 175.46 1dna s ILE 249 N 1.95 4.87 0.21 -3.70 1.09 -1.26 0.15 121.20 124.50 1dna s ILE 249 Ca 0.04 0.00 0.09 0.00 -1.10 0.00 0.00 60.65 59.68 1dna s ILE 249 Cb -0.13 -3.24 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 1dna s ILE 249 CO -0.06 0.39 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.40 1dna s GLU 250 N 0.88 1.39 -0.75 2.79 2.02 -0.16 -4.76 118.70 120.12 1dna s GLU 250 Ca 0.05 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.46 1dna s GLU 250 Cb -0.13 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.76 1dna s GLU 250 CO 0.03 0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1dna n GLY 251 N -0.24 0.58 3.36 -1.39 0.00 -1.26 -0.49 105.19 105.75 1dna n GLY 251 Ca -0.09 -0.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.84 1dna n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dna s TYR 252 N -2.33 3.26 -0.65 1.61 5.04 -1.26 -4.24 117.35 118.78 1dna s TYR 252 Ca 0.00 -1.35 0.02 0.00 -2.44 0.00 0.00 57.07 53.30 1dna s TYR 252 Cb 0.00 -3.97 0.16 0.00 0.35 0.00 0.00 41.96 38.50 1dna s TYR 252 CO 0.00 -1.20 0.44 0.34 -1.34 0.00 0.00 175.55 173.79 1dna s ASP 253 N 3.24 4.88 0.57 4.32 2.15 -1.26 -5.10 116.67 125.47 1dna s ASP 253 Ca 0.15 -3.37 -0.03 0.00 0.43 0.00 0.00 52.55 49.73 1dna s ASP 253 Cb -0.18 -1.71 0.02 0.00 -0.30 0.00 0.00 42.92 40.74 1dna s ASP 253 CO -0.01 -0.20 0.84 -2.16 -0.17 0.00 0.00 175.17 173.48 1dna s PRO 254 N -0.79 2.73 0.82 4.34 0.04 -1.26 -4.91 135.00 135.97 1dna s PRO 254 Ca 0.21 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 60.81 1dna s PRO 254 Cb -0.15 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.11 1dna s PRO 254 CO -0.08 -0.71 1.14 -1.01 0.04 0.00 0.00 177.00 176.38 1dna s HIS 255 N -2.89 2.88 0.76 0.56 3.76 0.27 -4.87 115.29 115.77 1dna s HIS 255 Ca 0.55 0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 56.20 1dna s HIS 255 Cb -0.10 -3.33 0.06 0.00 1.11 0.00 0.00 32.58 30.31 1dna s HIS 255 CO 0.42 -1.83 1.23 -2.14 -0.85 0.00 0.00 174.74 171.57 1dna s PRO 256 N -5.39 1.89 0.69 8.40 0.02 -1.26 -1.79 135.00 137.56 1dna s PRO 256 Ca 0.62 1.83 -0.13 0.00 0.02 0.00 0.00 61.00 63.34 1dna s PRO 256 Cb -0.13 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.61 1dna s PRO 256 CO 0.51 -2.04 1.08 0.20 -0.33 0.00 0.00 177.00 176.43 1dna s GLY 257 N -1.97 1.88 -0.26 0.52 0.00 -1.26 -3.60 107.32 102.63 1dna s GLY 257 Ca 0.75 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 45.79 1dna s GLY 257 CO 0.48 0.66 0.06 -0.42 0.00 0.00 0.00 173.10 173.88 1dna s ILE 258 N -2.70 0.79 0.20 0.90 1.01 -1.26 -4.90 121.20 115.24 1dna s ILE 258 Ca 0.63 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1dna s ILE 258 Cb -0.17 -1.45 -0.08 0.00 0.01 0.00 0.00 42.46 40.77 1dna s ILE 258 CO 0.48 -0.47 1.01 -0.54 0.00 0.00 0.00 174.94 175.43 1dna s LYS 259 N 1.69 4.71 -0.00 2.79 1.02 -1.26 -5.06 119.74 123.63 1dna s LYS 259 Ca 0.05 1.59 -0.06 0.00 0.02 0.00 0.00 55.97 57.57 1dna s LYS 259 Cb -0.17 -3.29 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1dna s LYS 259 CO -0.18 0.28 0.11 0.00 -0.92 0.00 0.00 175.35 174.64 1dna s ALA 260 N -0.63 -0.26 0.56 5.17 0.00 -1.26 -5.03 121.76 120.31 1dna s ALA 260 Ca 0.45 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.11 1dna s ALA 260 Cb -0.27 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 1dna s ALA 260 CO 0.34 -0.18 1.14 -1.25 0.00 0.00 0.00 175.76 175.81 1dna s PRO 261 N -1.13 3.27 -0.10 0.00 0.04 -1.26 -5.04 135.00 130.78 1dna s PRO 261 Ca -0.12 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 1dna s PRO 261 Cb -0.07 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 1dna s PRO 261 CO 0.01 -0.92 0.26 0.08 0.04 0.00 0.00 177.00 176.47 1dna s VAL 262 N -1.78 5.30 -0.21 -0.36 1.01 -1.26 -5.03 120.40 118.06 1dna s VAL 262 Ca 0.73 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 63.01 1dna s VAL 262 Cb -0.25 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1dna s VAL 262 CO 0.29 0.54 0.59 0.00 0.00 0.00 0.00 175.10 176.51 1dna s ALA 263 N -0.58 3.56 -2.81 5.51 0.00 -1.26 -5.23 121.76 120.96 1dna s ALA 263 Ca 0.18 -0.37 0.26 0.00 0.00 0.00 0.00 51.96 52.02 1dna s ALA 263 Cb -0.14 -2.93 0.52 0.00 0.00 0.00 0.00 23.12 20.57 1dna s ALA 263 CO 0.07 -0.59 1.44 -0.89 0.00 0.00 0.00 175.76 175.79