#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rsd n GLN 2 N 0.00 3.29 -2.57 2.12 6.02 -1.26 -5.01 117.38 119.97 1rsd n GLN 2 Ca 0.00 -2.71 -0.38 0.00 -0.01 0.00 0.00 57.00 53.91 1rsd n GLN 2 Cb 0.00 -1.77 -0.05 0.00 1.02 0.00 0.00 30.24 29.45 1rsd n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rsd s ASP 3 N -1.40 7.06 0.05 1.08 1.11 -1.26 -5.05 116.67 118.25 1rsd s ASP 3 Ca 0.41 2.07 -0.08 0.00 0.18 0.00 0.00 52.55 55.13 1rsd s ASP 3 Cb 0.30 -2.60 -0.00 0.00 1.07 0.00 0.00 42.92 41.69 1rsd s ASP 3 CO 0.14 -0.28 0.16 0.42 1.18 0.00 0.00 175.17 176.79 1rsd s THR 4 N -1.47 0.12 -0.08 -1.27 -4.23 -1.26 -2.93 115.64 104.52 1rsd s THR 4 Ca 0.52 -1.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1rsd s THR 4 Cb -0.25 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.58 1rsd s THR 4 CO 0.31 -0.57 -0.24 -0.63 -0.54 0.00 0.00 174.62 172.96 1rsd s ILE 5 N -2.87 2.10 0.08 2.99 1.01 -0.15 -4.92 121.20 119.45 1rsd s ILE 5 Ca -0.03 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.63 1rsd s ILE 5 Cb 0.00 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1rsd s ILE 5 CO -0.06 0.56 -0.08 0.72 0.00 0.00 0.00 174.94 176.08 1rsd s PHE 6 N 0.13 0.90 -0.19 3.97 -0.12 -1.26 -0.30 117.98 121.12 1rsd s PHE 6 Ca -0.12 -0.69 -0.02 0.00 -0.05 0.00 0.00 56.93 56.05 1rsd s PHE 6 Cb -0.16 -0.51 0.05 0.00 -0.63 0.00 0.00 43.02 41.77 1rsd s PHE 6 CO 0.07 -0.07 0.01 -0.51 -0.05 0.00 0.00 175.22 174.67 1rsd s LEU 7 N -2.38 1.39 -0.05 -1.99 1.02 -0.35 -5.01 118.68 111.31 1rsd s LEU 7 Ca 0.03 -0.79 -0.00 0.00 0.02 0.00 0.00 54.13 53.38 1rsd s LEU 7 Cb -0.02 -0.71 -0.03 0.00 0.02 0.00 0.00 46.19 45.45 1rsd s LEU 7 CO -0.01 -0.27 -0.00 -0.54 0.02 0.00 0.00 176.35 175.54 1rsd s LYS 8 N 1.77 2.89 -1.53 1.70 1.02 -1.26 -1.49 119.74 122.85 1rsd s LYS 8 Ca -0.01 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.43 1rsd s LYS 8 Cb -0.17 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 1rsd s LYS 8 CO -0.07 0.67 0.66 0.41 -0.92 0.00 0.00 175.35 176.10 1rsd n GLY 9 N 1.86 -0.52 3.73 -3.33 0.00 -1.21 -4.95 105.19 100.77 1rsd n GLY 9 Ca -0.17 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1rsd n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rsd s MET 10 N -5.80 4.35 -0.07 1.61 -1.94 -0.54 -4.76 119.30 112.15 1rsd s MET 10 Ca 0.34 2.08 0.05 0.00 -1.71 0.00 0.00 55.69 56.46 1rsd s MET 10 Cb -0.15 -3.21 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 1rsd s MET 10 CO 0.42 -0.35 -0.24 1.03 -0.01 0.00 0.00 175.02 175.88 1rsd s ARG 11 N 0.44 2.61 0.01 2.03 0.52 -1.26 -0.22 118.95 123.07 1rsd s ARG 11 Ca 0.61 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1rsd s ARG 11 Cb -0.37 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.97 1rsd s ARG 11 CO 0.35 0.29 -0.06 -0.06 0.02 0.00 0.00 175.30 175.84 1rsd s PHE 12 N 0.04 0.54 -0.28 -0.53 0.08 -0.58 -4.97 117.98 112.28 1rsd s PHE 12 Ca -0.09 -0.17 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 1rsd s PHE 12 Cb -0.15 -0.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.94 1rsd s PHE 12 CO 0.05 -0.02 0.47 -0.47 -0.10 0.00 0.00 175.22 175.15 1rsd s TYR 13 N -0.38 3.25 0.40 0.36 6.14 -1.26 -0.12 117.35 125.73 1rsd s TYR 13 Ca -0.00 0.50 0.05 0.00 0.64 0.00 0.00 57.07 58.26 1rsd s TYR 13 Cb -0.04 -2.71 -0.02 0.00 0.42 0.00 0.00 41.96 39.61 1rsd s TYR 13 CO -0.00 -0.31 0.19 0.20 0.64 0.00 0.00 175.55 176.27 1rsd s GLY 14 N 1.61 2.60 -0.11 8.97 0.00 -0.43 -4.80 107.32 115.16 1rsd s GLY 14 Ca 0.19 -1.45 0.16 0.00 0.00 0.00 0.00 44.72 43.63 1rsd s GLY 14 CO 0.10 -1.72 1.15 -1.72 0.00 0.00 0.00 173.10 170.91 1rsd n TYR 15 N -0.85 0.07 -1.98 1.90 4.02 -1.26 -1.55 117.16 117.51 1rsd n TYR 15 Ca -0.02 -0.92 -0.34 0.00 -0.01 0.00 0.00 57.90 56.62 1rsd n TYR 15 Cb 0.64 -0.15 0.03 0.00 -0.02 0.00 0.00 39.34 39.84 1rsd n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rsd s HIS 16 N -2.60 2.67 0.00 -0.72 3.76 -1.26 -3.63 115.29 113.51 1rsd s HIS 16 Ca 0.28 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1rsd s HIS 16 Cb 0.24 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.73 1rsd s HIS 16 CO 0.03 -1.59 0.00 0.41 -0.85 0.00 0.00 174.74 172.74 1rsd n GLY 17 N -0.28 4.51 0.01 -2.22 0.00 -0.23 -4.65 105.19 102.33 1rsd n GLY 17 Ca 0.11 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1rsd n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rsd n ALA 18 N -1.74 2.09 -2.71 4.61 0.00 -1.16 -4.46 120.51 117.15 1rsd n ALA 18 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1rsd n ALA 18 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.98 1rsd n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rsd s LEU 19 N -3.14 4.19 0.23 0.00 2.96 -1.26 -5.00 118.68 116.65 1rsd s LEU 19 Ca 0.11 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.23 1rsd s LEU 19 Cb 0.15 -2.24 0.28 0.00 0.50 0.00 0.00 46.19 44.89 1rsd s LEU 19 CO 0.44 0.10 1.61 0.28 -1.32 0.00 0.00 176.35 177.46 1rsd h SER 20 N 6.95 -0.66 -0.45 3.68 0.02 -2.00 0.12 113.55 121.22 1rsd h SER 20 Ca -0.40 0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1rsd h SER 20 Cb 1.16 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 64.11 1rsd h SER 20 CO 0.73 -0.23 0.30 0.00 -1.14 0.00 0.00 176.83 176.49 1rsd h ALA 21 N 1.71 1.84 -0.11 3.77 0.00 -1.97 -1.74 119.26 122.76 1rsd h ALA 21 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1rsd h ALA 21 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rsd h ALA 21 CO -0.73 0.10 0.02 0.93 0.00 0.00 0.00 179.25 179.57 1rsd h GLU 22 N 0.46 0.19 -0.14 0.00 5.08 -1.14 -0.71 114.58 118.33 1rsd h GLU 22 Ca 0.18 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1rsd h GLU 22 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1rsd h GLU 22 CO -0.05 0.39 0.10 -0.91 -1.00 0.00 0.00 179.01 177.55 1rsd h ASN 23 N -0.05 0.00 0.00 1.42 2.35 -0.83 0.51 115.58 118.98 1rsd h ASN 23 Ca 0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1rsd h ASN 23 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1rsd h ASN 23 CO 0.00 0.00 -0.00 -0.08 -1.65 0.00 0.00 177.43 175.70 1rsd h GLU 24 N 0.00 -0.00 0.15 0.81 4.81 -0.99 -3.40 114.58 115.95 1rsd h GLU 24 Ca 0.06 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.04 1rsd h GLU 24 Cb 0.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1rsd h GLU 24 CO -0.00 0.86 -1.22 0.82 -0.73 0.00 0.00 179.01 178.74 1rsd h ILE 25 N -0.98 1.24 0.00 2.32 2.04 -0.96 -3.51 117.51 117.65 1rsd h ILE 25 Ca -0.00 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.35 1rsd h ILE 25 Cb 0.87 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1rsd h ILE 25 CO 0.00 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1rsd n GLY 26 N 1.72 -2.66 3.76 5.37 0.00 0.18 -5.01 105.19 108.54 1rsd n GLY 26 Ca -0.20 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1rsd n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rsd s GLN 27 N -0.89 0.63 0.00 1.61 -2.07 -0.59 -4.99 119.66 113.37 1rsd s GLN 27 Ca 0.00 -0.37 -0.20 0.00 -1.82 0.00 0.00 55.36 52.96 1rsd s GLN 27 Cb 0.00 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.06 1rsd s GLN 27 CO 0.00 -0.29 0.58 0.42 -1.32 0.00 0.00 175.29 174.68 1rsd s ILE 28 N -2.41 4.90 -0.10 3.63 -1.09 -1.26 -1.31 121.20 123.55 1rsd s ILE 28 Ca 0.18 1.22 0.01 0.00 -2.23 0.00 0.00 60.65 59.83 1rsd s ILE 28 Cb 0.02 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 1rsd s ILE 28 CO -0.01 0.44 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.64 1rsd s PHE 29 N -0.32 2.76 -0.15 3.97 0.40 0.83 -4.31 117.98 121.16 1rsd s PHE 29 Ca 0.30 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1rsd s PHE 29 Cb -0.18 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.54 1rsd s PHE 29 CO 0.17 -0.10 0.02 0.21 0.70 0.00 0.00 175.22 176.21 1rsd s LYS 30 N 0.03 3.60 -0.05 0.44 2.20 -0.38 -1.53 119.74 124.05 1rsd s LYS 30 Ca -0.05 -0.41 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 1rsd s LYS 30 Cb -0.14 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1rsd s LYS 30 CO 0.04 0.39 -0.10 0.08 -0.36 0.00 0.00 175.35 175.41 1rsd s VAL 31 N -0.01 0.92 -0.12 4.02 1.01 0.70 -0.15 120.40 126.77 1rsd s VAL 31 Ca 0.04 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1rsd s VAL 31 Cb -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1rsd s VAL 31 CO 0.02 0.30 -0.19 -1.81 0.00 0.00 0.00 175.10 173.42 1rsd s ASP 32 N 0.61 3.49 -0.10 3.32 1.01 -0.07 -1.47 116.67 123.46 1rsd s ASP 32 Ca -0.11 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.70 1rsd s ASP 32 Cb -0.14 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.30 1rsd s ASP 32 CO 0.02 0.16 -0.15 -0.69 0.21 0.00 0.00 175.17 174.72 1rsd s VAL 33 N 0.39 1.47 -0.13 -1.27 1.01 -0.55 -0.75 120.40 120.56 1rsd s VAL 33 Ca -0.15 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1rsd s VAL 33 Cb -0.17 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.88 1rsd s VAL 33 CO 0.07 0.43 -0.17 -0.89 0.00 0.00 0.00 175.10 174.54 1rsd s THR 34 N 0.93 1.69 -0.15 3.92 2.01 -0.39 -1.21 115.64 122.44 1rsd s THR 34 Ca -0.08 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1rsd s THR 34 Cb -0.15 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1rsd s THR 34 CO -0.01 0.48 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.58 1rsd s LEU 35 N 1.01 3.12 -0.46 4.42 1.43 0.59 -0.62 118.68 128.17 1rsd s LEU 35 Ca -0.05 -0.17 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1rsd s LEU 35 Cb -0.15 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1rsd s LEU 35 CO -0.03 0.18 0.89 -0.75 0.23 0.00 0.00 176.35 176.87 1rsd s LYS 36 N 0.30 3.49 -0.01 1.70 2.20 -0.22 -0.97 119.74 126.23 1rsd s LYS 36 Ca -0.05 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1rsd s LYS 36 Cb -0.14 -3.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.25 1rsd s LYS 36 CO 0.04 -1.21 0.00 0.08 -0.36 0.00 0.00 175.35 173.90 1rsd s VAL 37 N 3.65 0.02 -0.34 4.02 1.01 -1.15 -0.54 120.40 127.07 1rsd s VAL 37 Ca 0.35 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.08 1rsd s VAL 37 Cb -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.22 1rsd s VAL 37 CO 0.25 0.04 1.15 -0.62 0.00 0.00 0.00 175.10 175.92 1rsd s ASP 38 N 0.29 6.82 -0.05 3.32 -1.08 -1.26 -4.17 116.67 120.54 1rsd s ASP 38 Ca -0.02 1.01 0.19 0.00 -0.52 0.00 0.00 52.55 53.21 1rsd s ASP 38 Cb -0.04 -2.54 0.62 0.00 -1.46 0.00 0.00 42.92 39.49 1rsd s ASP 38 CO -0.01 -0.99 1.52 0.18 0.52 0.00 0.00 175.17 176.40 1rsd n LEU 39 N 7.22 4.09 0.09 -1.34 4.77 -1.26 -4.56 117.00 126.02 1rsd n LEU 39 Ca 0.13 -2.20 -0.05 0.00 -0.03 0.00 0.00 56.01 53.86 1rsd n LEU 39 Cb 0.47 -0.48 0.12 0.00 -2.33 0.00 0.00 43.42 41.20 1rsd n LEU 39 CO 0.62 0.87 0.47 0.77 -1.33 0.00 0.00 177.39 178.80 1rsd h SER 40 N 3.76 0.24 0.18 -1.43 4.64 -1.95 -0.44 113.55 118.55 1rsd h SER 40 Ca 0.00 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1rsd h SER 40 Cb 1.14 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1rsd h SER 40 CO 0.09 0.79 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.68 1rsd h GLU 41 N 0.15 -0.23 -0.68 4.77 4.81 -1.90 -1.21 114.58 120.30 1rsd h GLU 41 Ca -0.01 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1rsd h GLU 41 Cb 1.12 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 1rsd h GLU 41 CO 0.09 0.02 0.45 0.00 -0.73 0.00 0.00 179.01 178.85 1rsd h ALA 42 N 0.31 1.52 0.00 2.92 0.00 -1.74 0.31 119.26 122.58 1rsd h ALA 42 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rsd h ALA 42 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rsd h ALA 42 CO 0.04 0.45 -0.17 0.78 0.00 0.00 0.00 179.25 180.35 1rsd h GLY 43 N 0.92 0.00 0.00 0.00 0.00 -0.82 0.16 103.07 103.34 1rsd h GLY 43 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1rsd h GLY 43 CO -0.05 0.00 -0.10 -0.09 0.00 0.00 0.00 176.54 176.29 1rsd h ARG 44 N 0.00 0.00 -0.15 4.80 2.43 0.28 -3.40 114.38 118.33 1rsd h ARG 44 Ca -0.00 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1rsd h ARG 44 Cb 0.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1rsd h ARG 44 CO 0.02 0.32 -0.70 1.79 -1.51 0.00 0.00 179.97 179.89 1rsd h THR 45 N -1.00 1.32 -0.28 0.20 1.35 -0.47 -3.47 112.91 110.55 1rsd h THR 45 Ca -0.02 -1.97 -0.12 0.00 -0.55 0.00 0.00 66.41 63.76 1rsd h THR 45 Cb 0.38 1.95 -0.05 0.00 -1.73 0.00 0.00 68.15 68.70 1rsd h THR 45 CO -0.01 0.61 -0.11 -0.67 -0.25 0.00 0.00 175.52 175.10 1rsd n ASP 46 N -3.92 -4.21 -4.59 5.36 2.03 0.56 -4.98 116.55 106.81 1rsd n ASP 46 Ca -0.05 0.14 -0.39 0.00 0.52 0.00 0.00 54.79 55.01 1rsd n ASP 46 Cb 0.70 -2.23 -0.09 0.00 -0.72 0.00 0.00 41.12 38.78 1rsd n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rsd s ASN 47 N -2.56 6.23 0.64 1.67 3.84 -1.26 -4.95 114.94 118.54 1rsd s ASN 47 Ca 0.00 0.16 0.30 0.00 0.21 0.00 0.00 52.86 53.53 1rsd s ASN 47 Cb 0.00 -2.20 1.59 0.00 -0.55 0.00 0.00 41.25 40.09 1rsd s ASN 47 CO 0.00 -0.21 1.93 1.62 -2.79 0.00 0.00 177.10 177.65 1rsd h VAL 48 N 5.42 0.15 0.00 -5.21 3.04 -1.95 -0.63 116.25 117.07 1rsd h VAL 48 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1rsd h VAL 48 Cb 1.16 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1rsd h VAL 48 CO 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.21 1rsd n ILE 49 N -3.21 0.30 0.12 3.17 0.13 -1.26 -3.11 119.36 115.51 1rsd n ILE 49 Ca 0.01 0.07 0.11 0.00 -1.10 0.00 0.00 62.75 61.85 1rsd n ILE 49 Cb 0.46 -0.69 0.27 0.00 -0.84 0.00 0.00 39.64 38.85 1rsd n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rsd n ASP 50 N -1.33 3.40 -2.89 9.51 8.00 -0.24 -4.96 116.55 128.03 1rsd n ASP 50 Ca 0.10 -1.98 -0.16 0.00 0.71 0.00 0.00 54.79 53.46 1rsd n ASP 50 Cb 0.20 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.89 1rsd n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rsd n THR 51 N 1.39 0.00 -3.70 -3.53 5.66 -1.18 -4.30 114.28 108.61 1rsd n THR 51 Ca 0.21 -1.97 -0.36 0.00 -3.05 0.00 0.00 64.05 58.88 1rsd n THR 51 Cb 0.56 0.95 -0.09 0.00 -1.55 0.00 0.00 70.33 70.21 1rsd n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rsd s VAL 52 N -3.06 5.37 -0.24 1.08 1.01 -1.26 -5.04 120.40 118.25 1rsd s VAL 52 Ca 0.30 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1rsd s VAL 52 Cb 0.01 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1rsd s VAL 52 CO 0.22 0.40 1.75 -2.28 0.00 0.00 0.00 175.10 175.18 1rsd s HIS 53 N 0.67 1.88 0.30 5.22 2.46 -1.26 -4.91 115.29 119.64 1rsd s HIS 53 Ca 0.08 0.51 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 1rsd s HIS 53 Cb -0.12 -4.05 0.46 0.00 -0.13 0.00 0.00 32.58 28.74 1rsd s HIS 53 CO 0.01 -3.19 1.95 0.10 -2.47 0.00 0.00 174.74 171.14 1rsd h TYR 54 N 11.79 1.05 -0.89 3.88 -0.00 -1.98 -2.04 116.97 128.77 1rsd h TYR 54 Ca -0.35 0.03 0.01 0.00 0.00 0.00 0.00 58.73 58.42 1rsd h TYR 54 Cb 1.17 -0.35 -0.05 0.00 0.00 0.00 0.00 36.73 37.50 1rsd h TYR 54 CO 0.93 0.63 0.59 0.78 -0.00 0.00 0.00 178.16 181.09 1rsd h GLY 55 N 1.10 1.27 1.61 0.10 0.00 -2.00 -1.18 103.07 103.97 1rsd h GLY 55 Ca 0.33 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 1rsd h GLY 55 CO -0.09 0.44 -0.40 0.83 0.00 0.00 0.00 176.54 177.32 1rsd h GLU 56 N 1.19 0.43 -0.55 4.80 5.08 -1.79 -2.49 114.58 121.25 1rsd h GLU 56 Ca 0.33 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1rsd h GLU 56 Cb -0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1rsd h GLU 56 CO -0.08 0.77 -0.00 0.28 -1.00 0.00 0.00 179.01 178.97 1rsd h VAL 57 N 0.36 1.26 -0.86 3.13 2.07 -0.92 -2.38 116.25 118.92 1rsd h VAL 57 Ca 0.03 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1rsd h VAL 57 Cb 0.87 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1rsd h VAL 57 CO 0.07 0.40 0.52 0.15 0.02 0.00 0.00 177.57 178.74 1rsd h PHE 58 N 0.86 1.13 -0.87 1.57 3.57 -1.04 -0.94 116.94 121.22 1rsd h PHE 58 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1rsd h PHE 58 Cb 0.55 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1rsd h PHE 58 CO 0.04 0.75 0.50 0.93 -2.23 0.00 0.00 178.31 178.30 1rsd h GLU 59 N 1.18 1.20 -0.12 1.11 4.39 -1.18 0.47 114.58 121.63 1rsd h GLU 59 Ca 0.31 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1rsd h GLU 59 Cb -0.05 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.35 1rsd h GLU 59 CO -0.06 0.86 -0.01 0.93 -1.16 0.00 0.00 179.01 179.57 1rsd h GLU 60 N 1.21 0.21 -0.35 2.33 4.39 -0.82 -1.20 114.58 120.35 1rsd h GLU 60 Ca 0.31 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1rsd h GLU 60 Cb -0.01 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1rsd h GLU 60 CO -0.05 0.47 0.13 0.28 -1.16 0.00 0.00 179.01 178.67 1rsd h VAL 61 N -0.07 0.91 -0.40 3.13 2.07 -0.85 -2.81 116.25 118.22 1rsd h VAL 61 Ca 0.03 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1rsd h VAL 61 Cb 0.38 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1rsd h VAL 61 CO 0.01 0.05 0.16 0.50 0.02 0.00 0.00 177.57 178.30 1rsd h LYS 62 N 0.28 0.32 -0.13 1.57 3.64 -0.79 0.64 116.57 122.10 1rsd h LYS 62 Ca 0.16 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1rsd h LYS 62 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1rsd h LYS 62 CO -0.15 0.21 0.09 0.66 -2.27 0.00 0.00 179.45 177.99 1rsd h SER 63 N 0.33 0.08 0.14 4.20 4.64 -0.99 0.83 113.55 122.77 1rsd h SER 63 Ca 0.18 -0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.22 1rsd h SER 63 Cb 0.15 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1rsd h SER 63 CO -0.18 0.06 -1.40 0.40 -0.87 0.00 0.00 176.83 174.84 1rsd h ILE 64 N 0.10 1.09 -0.12 0.95 2.04 -1.15 -3.10 117.51 117.32 1rsd h ILE 64 Ca 0.06 -2.45 -0.13 0.00 1.00 0.00 0.00 64.86 63.33 1rsd h ILE 64 Cb 0.10 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1rsd h ILE 64 CO -0.01 0.74 -0.48 0.24 0.00 0.00 0.00 178.15 178.64 1rsd h MET 65 N -0.21 0.30 -0.70 2.37 2.86 -0.64 -3.10 114.93 115.81 1rsd h MET 65 Ca -0.29 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1rsd h MET 65 Cb 1.83 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1rsd h MET 65 CO 0.11 0.72 0.00 0.39 1.06 0.00 0.00 176.91 179.19 1rsd n GLU 66 N -3.97 3.11 0.00 1.72 1.02 0.26 -4.58 120.64 118.21 1rsd n GLU 66 Ca -0.02 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.37 1rsd n GLU 66 Cb 0.54 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1rsd n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rsd n GLY 67 N 1.45 1.59 3.54 0.62 0.00 -1.17 -5.01 105.19 106.20 1rsd n GLY 67 Ca 0.25 -1.94 -0.52 0.00 0.00 0.00 0.00 46.02 43.81 1rsd n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rsd n LYS 68 N 0.00 0.73 -2.41 1.61 4.81 -1.26 -4.84 118.16 116.79 1rsd n LYS 68 Ca 0.00 0.26 -0.41 0.00 -0.87 0.00 0.00 58.31 57.29 1rsd n LYS 68 Cb 0.00 -1.72 -0.04 0.00 0.02 0.00 0.00 35.03 33.30 1rsd n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rsd s ALA 69 N -0.15 3.42 0.41 3.14 0.00 -1.26 -4.94 121.76 122.38 1rsd s ALA 69 Ca 0.78 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.70 1rsd s ALA 69 Cb -0.98 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 18.70 1rsd s ALA 69 CO 0.53 -0.31 0.04 0.14 0.00 0.00 0.00 175.76 176.15 1rsd s VAL 70 N -0.26 1.40 -0.11 0.00 -7.23 -1.26 -4.94 120.40 108.00 1rsd s VAL 70 Ca 0.51 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.41 1rsd s VAL 70 Cb -0.32 -2.65 -0.26 0.00 0.56 0.00 0.00 36.38 33.71 1rsd s VAL 70 CO 0.37 0.00 0.84 0.78 -0.31 0.00 0.00 175.10 176.79 1rsd h ASN 71 N 1.75 0.09 -3.15 4.85 2.35 -1.95 -0.59 115.58 118.93 1rsd h ASN 71 Ca -0.42 -0.94 -0.64 0.00 -0.55 0.00 0.00 56.30 53.75 1rsd h ASN 71 Cb 1.26 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.52 1rsd h ASN 71 CO 0.73 1.03 -0.59 -0.76 -1.65 0.00 0.00 177.43 176.19 1rsd s LEU 72 N -8.26 3.86 0.31 1.61 1.43 -1.26 -2.95 118.68 113.41 1rsd s LEU 72 Ca -0.18 0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1rsd s LEU 72 Cb -0.02 -2.52 0.48 0.00 0.03 0.00 0.00 46.19 44.16 1rsd s LEU 72 CO 0.72 0.18 1.69 -0.07 0.23 0.00 0.00 176.35 179.09 1rsd h LEU 73 N 3.31 0.04 -0.93 1.79 3.38 -1.99 -2.64 115.31 118.27 1rsd h LEU 73 Ca -0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1rsd h LEU 73 Cb 1.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1rsd h LEU 73 CO 0.67 0.55 0.54 -0.33 0.09 0.00 0.00 178.44 179.95 1rsd h GLU 74 N 0.03 1.27 -0.09 1.13 3.07 -1.97 -1.12 114.58 116.90 1rsd h GLU 74 Ca -0.00 -0.13 -0.20 0.00 -0.50 0.00 0.00 59.36 58.53 1rsd h GLU 74 Cb 0.92 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1rsd h GLU 74 CO 0.07 0.91 -0.76 1.25 -1.40 0.00 0.00 179.01 179.07 1rsd h HIS 75 N 1.29 0.69 -0.31 4.33 2.76 -1.92 -1.88 115.15 120.11 1rsd h HIS 75 Ca 0.33 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 58.13 1rsd h HIS 75 Cb -0.02 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1rsd h HIS 75 CO 0.01 1.09 -0.04 -0.07 -1.30 0.00 0.00 177.93 177.62 1rsd h LEU 76 N 0.34 0.56 -0.93 0.26 3.38 -1.16 -2.10 115.31 115.66 1rsd h LEU 76 Ca -0.04 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 1rsd h LEU 76 Cb 1.36 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1rsd h LEU 76 CO 0.14 0.77 -0.37 0.00 0.09 0.00 0.00 178.44 179.07 1rsd h ALA 77 N 0.82 1.09 -0.58 1.53 0.00 -1.22 -1.89 119.26 119.01 1rsd h ALA 77 Ca 0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1rsd h ALA 77 Cb 0.50 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rsd h ALA 77 CO 0.02 0.58 -0.04 1.49 0.00 0.00 0.00 179.25 181.30 1rsd h GLU 78 N 0.27 1.04 -0.26 0.00 4.57 -1.25 -0.83 114.58 118.13 1rsd h GLU 78 Ca 0.03 -0.35 -0.14 0.00 -1.18 0.00 0.00 59.36 57.72 1rsd h GLU 78 Cb 0.78 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1rsd h GLU 78 CO 0.06 1.04 -0.42 0.00 -1.18 0.00 0.00 179.01 178.52 1rsd h ARG 79 N 0.94 0.63 -0.06 1.92 3.08 -1.17 -1.51 114.38 118.22 1rsd h ARG 79 Ca 0.16 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1rsd h ARG 79 Cb 0.60 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1rsd h ARG 79 CO 0.04 0.93 -0.08 0.82 -1.07 0.00 0.00 179.97 180.61 1rsd h ILE 80 N 0.52 1.39 -0.53 2.04 2.04 -1.17 -0.30 117.51 121.50 1rsd h ILE 80 Ca 0.04 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1rsd h ILE 80 Cb 0.94 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1rsd h ILE 80 CO 0.08 0.36 0.34 0.00 0.00 0.00 0.00 178.15 178.93 1rsd h ALA 81 N 0.53 0.67 -0.40 1.87 0.00 -1.17 -0.78 119.26 119.98 1rsd h ALA 81 Ca 0.01 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1rsd h ALA 81 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1rsd h ALA 81 CO 0.02 0.13 -0.02 -0.97 0.00 0.00 0.00 179.25 178.41 1rsd h ASN 82 N 0.71 0.61 -0.28 0.00 -0.73 -1.28 -0.02 115.58 114.60 1rsd h ASN 82 Ca 0.19 -0.14 -0.11 0.00 1.87 0.00 0.00 56.30 58.12 1rsd h ASN 82 Cb -0.05 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.37 1rsd h ASN 82 CO -0.04 0.69 -0.24 -0.09 -0.37 0.00 0.00 177.43 177.38 1rsd h ARG 83 N 0.60 0.65 -0.28 6.67 9.65 -0.48 -2.15 114.38 129.05 1rsd h ARG 83 Ca 0.12 -0.33 -0.13 0.00 -1.10 0.00 0.00 59.98 58.54 1rsd h ARG 83 Cb 0.41 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.99 1rsd h ARG 83 CO 0.02 0.93 -0.32 0.82 2.80 0.00 0.00 179.97 184.22 1rsd h ILE 84 N 0.38 1.30 -0.63 1.20 2.04 -0.95 -2.78 117.51 118.08 1rsd h ILE 84 Ca 0.05 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 1rsd h ILE 84 Cb 0.80 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1rsd h ILE 84 CO 0.06 0.48 0.13 0.78 0.00 0.00 0.00 178.15 179.60 1rsd h ASN 85 N 0.46 0.95 -0.58 1.72 2.35 -1.05 -2.36 115.58 117.08 1rsd h ASN 85 Ca 0.04 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1rsd h ASN 85 Cb 0.90 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 1rsd h ASN 85 CO 0.08 0.93 0.02 0.28 -1.65 0.00 0.00 177.43 177.09 1rsd h SER 86 N 0.95 0.98 0.78 5.81 0.02 -1.36 -3.29 113.55 117.44 1rsd h SER 86 Ca 0.20 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1rsd h SER 86 Cb 0.37 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1rsd h SER 86 CO 0.00 1.04 -0.68 0.00 -1.14 0.00 0.00 176.83 176.05 1rsd n GLN 87 N -4.25 0.28 -3.85 3.45 6.02 -1.05 -4.76 117.38 113.22 1rsd n GLN 87 Ca 0.02 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.78 1rsd n GLN 87 Cb 0.32 -1.66 -0.16 0.00 1.02 0.00 0.00 30.24 29.77 1rsd n GLN 87 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rsd s TYR 88 N -3.16 2.07 0.27 1.08 2.02 -0.90 -4.98 117.35 113.75 1rsd s TYR 88 Ca 0.06 -1.70 0.21 0.00 -0.37 0.00 0.00 57.07 55.27 1rsd s TYR 88 Cb 0.14 -1.64 0.95 0.00 -0.40 0.00 0.00 41.96 41.00 1rsd s TYR 88 CO 0.73 -0.79 1.86 -0.97 -1.57 0.00 0.00 175.55 174.82 1rsd h ASN 89 N 8.01 0.00 0.82 2.29 -0.73 -1.86 -2.70 115.58 121.42 1rsd h ASN 89 Ca -0.15 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.02 1rsd h ASN 89 Cb 1.06 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.65 1rsd h ASN 89 CO 0.42 0.28 0.00 0.03 -0.37 0.00 0.00 177.43 177.79 1rsd h ARG 90 N 0.00 0.00 -6.22 6.67 3.08 -1.94 -3.41 114.38 112.57 1rsd h ARG 90 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1rsd h ARG 90 Cb 0.67 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.62 1rsd h ARG 90 CO 0.04 0.00 0.64 0.08 -1.07 0.00 0.00 179.97 179.66 1rsd s VAL 91 N -3.35 4.47 -0.00 2.04 1.01 -1.02 -4.37 120.40 119.17 1rsd s VAL 91 Ca 0.04 0.95 0.15 0.00 0.00 0.00 0.00 61.98 63.12 1rsd s VAL 91 Cb 0.09 -4.43 0.05 0.00 0.00 0.00 0.00 36.38 32.09 1rsd s VAL 91 CO 0.43 -0.77 1.52 0.24 0.00 0.00 0.00 175.10 176.51 1rsd h MET 92 N 8.92 0.00 -1.68 2.72 2.86 -1.06 -3.40 114.93 123.29 1rsd h MET 92 Ca -0.24 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1rsd h MET 92 Cb 1.07 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.49 1rsd h MET 92 CO 1.03 0.53 0.40 -2.00 1.06 0.00 0.00 176.91 177.94 1rsd s GLU 93 N -3.15 0.61 -0.13 1.72 2.12 -1.25 -1.12 118.70 117.51 1rsd s GLU 93 Ca 0.02 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.93 1rsd s GLU 93 Cb 0.09 0.30 0.00 0.00 0.26 0.00 0.00 34.13 34.78 1rsd s GLU 93 CO 0.74 -0.11 -0.21 0.99 -0.54 0.00 0.00 175.26 176.12 1rsd s THR 94 N -0.10 2.19 -0.18 -1.70 2.01 0.00 -1.06 115.64 116.80 1rsd s THR 94 Ca 0.01 -0.95 -0.04 0.00 0.31 0.00 0.00 61.69 61.01 1rsd s THR 94 Cb -0.04 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1rsd s THR 94 CO -0.02 0.55 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.69 1rsd s LYS 95 N 0.61 3.63 -0.13 4.92 2.20 0.21 -0.77 119.74 130.42 1rsd s LYS 95 Ca -0.12 -0.52 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1rsd s LYS 95 Cb -0.16 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1rsd s LYS 95 CO 0.03 0.09 -0.13 0.08 -0.36 0.00 0.00 175.35 175.06 1rsd s VAL 96 N 0.77 1.42 -0.15 4.02 1.01 -0.33 -1.27 120.40 125.87 1rsd s VAL 96 Ca -0.00 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1rsd s VAL 96 Cb -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 1rsd s VAL 96 CO 0.02 0.43 -0.13 -0.60 0.00 0.00 0.00 175.10 174.82 1rsd s ARG 97 N 1.36 3.33 -0.08 2.72 3.52 0.07 -1.25 118.95 128.62 1rsd s ARG 97 Ca 0.01 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 54.94 1rsd s ARG 97 Cb -0.13 -2.66 0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1rsd s ARG 97 CO -0.07 0.12 -0.16 0.42 -0.81 0.00 0.00 175.30 174.79 1rsd s ILE 98 N 0.60 1.47 -0.06 4.11 1.01 -0.49 -0.89 121.20 126.93 1rsd s ILE 98 Ca -0.08 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1rsd s ILE 98 Cb -0.16 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 1rsd s ILE 98 CO 0.03 0.43 -0.22 -0.89 0.00 0.00 0.00 174.94 174.29 1rsd s THR 99 N 0.63 1.85 -0.43 2.92 2.01 0.79 -1.83 115.64 121.58 1rsd s THR 99 Ca -0.14 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 1rsd s THR 99 Cb -0.16 -1.58 0.06 0.00 0.01 0.00 0.00 72.50 70.83 1rsd s THR 99 CO 0.04 0.52 0.30 -0.54 -0.69 0.00 0.00 174.62 174.25 1rsd s LYS 100 N 0.05 2.81 0.40 4.92 1.02 0.14 -1.24 119.74 127.83 1rsd s LYS 100 Ca -0.08 -1.31 0.22 0.00 0.02 0.00 0.00 55.97 54.82 1rsd s LYS 100 Cb -0.14 -3.91 0.40 0.00 -0.52 0.00 0.00 37.83 33.66 1rsd s LYS 100 CO 0.04 -0.91 1.61 0.93 -0.92 0.00 0.00 175.35 176.11 1rsd h GLU 101 N 8.55 0.00 -2.06 1.68 5.08 -1.81 -1.24 114.58 124.77 1rsd h GLU 101 Ca -0.26 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.57 1rsd h GLU 101 Cb 1.10 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.95 1rsd h GLU 101 CO 0.78 0.16 -1.03 0.09 -1.00 0.00 0.00 179.01 178.01 1rsd n ASN 102 N -3.16 1.46 -4.88 1.42 3.02 -1.26 -4.41 115.26 107.45 1rsd n ASN 102 Ca 0.03 -3.06 -0.29 0.00 -0.03 0.00 0.00 54.58 51.23 1rsd n ASN 102 Cb 0.56 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 39.20 1rsd n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rsd s PRO 103 N -2.21 1.92 0.00 3.52 0.04 -1.26 -4.90 135.00 132.11 1rsd s PRO 103 Ca 0.40 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 1rsd s PRO 103 Cb 0.27 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.72 1rsd s PRO 103 CO -0.09 -1.64 2.27 -2.30 0.04 0.00 0.00 177.00 175.28 1rsd n PRO 104 N -3.36 1.14 -3.90 0.56 -0.02 -1.26 -4.79 135.00 123.37 1rsd n PRO 104 Ca 0.08 -0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 60.65 1rsd n PRO 104 Cb 0.60 -1.76 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1rsd n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rsd s ILE 105 N 1.75 3.05 -0.72 4.25 1.01 -1.26 -5.04 121.20 124.24 1rsd s ILE 105 Ca 0.37 -1.31 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 1rsd s ILE 105 Cb 0.18 -2.72 -0.12 0.00 0.01 0.00 0.00 42.46 39.81 1rsd s ILE 105 CO 0.00 -0.07 2.39 -2.84 0.00 0.00 0.00 174.94 174.42 1rsd s PRO 106 N 1.28 1.75 0.00 2.79 0.02 -1.26 -4.76 135.00 134.82 1rsd s PRO 106 Ca -0.04 0.67 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1rsd s PRO 106 Cb -0.19 -4.74 0.00 0.00 0.02 0.00 0.00 34.50 29.58 1rsd s PRO 106 CO -0.01 -4.13 0.00 0.41 -0.33 0.00 0.00 177.00 172.93 1rsd n GLY 107 N 6.62 -1.18 3.15 0.52 0.00 -1.26 -5.12 105.19 107.92 1rsd n GLY 107 Ca 0.44 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 1rsd n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rsd s HIS 108 N -2.43 2.99 0.28 1.61 3.76 -1.26 -5.08 115.29 115.17 1rsd s HIS 108 Ca 0.00 -1.70 -0.19 0.00 -0.15 0.00 0.00 55.06 53.02 1rsd s HIS 108 Cb 0.00 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.73 1rsd s HIS 108 CO 0.00 -0.78 0.68 1.52 -0.85 0.00 0.00 174.74 175.31 1rsd s TYR 109 N 1.28 -0.06 -0.05 1.40 -0.85 -1.26 -5.07 117.35 112.74 1rsd s TYR 109 Ca 0.01 -0.41 0.12 0.00 -0.52 0.00 0.00 57.07 56.28 1rsd s TYR 109 Cb -0.16 0.63 -0.23 0.00 0.38 0.00 0.00 41.96 42.58 1rsd s TYR 109 CO -0.08 -1.23 0.63 -0.25 -1.52 0.00 0.00 175.55 173.10 1rsd n ASP 110 N -0.55 0.86 0.00 -0.18 8.00 -1.26 -5.03 116.55 118.39 1rsd n ASP 110 Ca -0.04 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1rsd n ASP 110 Cb 0.60 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1rsd n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rsd n GLY 111 N 1.57 1.68 3.12 0.44 0.00 -1.26 -4.63 105.19 106.12 1rsd n GLY 111 Ca -0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1rsd n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rsd s VAL 112 N -2.00 0.66 -1.62 1.61 -7.23 -0.47 -4.97 120.40 106.38 1rsd s VAL 112 Ca 0.00 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1rsd s VAL 112 Cb 0.00 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1rsd s VAL 112 CO 0.00 -0.62 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1rsd n GLY 113 N 0.70 -1.01 3.19 2.32 0.00 -1.26 0.26 105.19 109.39 1rsd n GLY 113 Ca -0.17 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1rsd n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rsd s ILE 114 N -3.00 0.41 -0.08 -0.61 -5.25 -0.76 -5.01 121.20 106.90 1rsd s ILE 114 Ca 0.00 -1.94 -0.04 0.00 -0.99 0.00 0.00 60.65 57.68 1rsd s ILE 114 Cb 0.00 -2.02 0.04 0.00 2.95 0.00 0.00 42.46 43.42 1rsd s ILE 114 CO 0.00 -0.53 0.18 -0.70 -1.79 0.00 0.00 174.94 172.10 1rsd s GLU 115 N -3.96 0.15 0.16 0.37 2.12 -1.26 -1.40 118.70 114.87 1rsd s GLU 115 Ca 0.22 0.41 0.07 0.00 0.36 0.00 0.00 54.97 56.03 1rsd s GLU 115 Cb 0.07 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1rsd s GLU 115 CO 0.02 -0.14 -0.15 0.96 -0.54 0.00 0.00 175.26 175.40 1rsd s ILE 116 N 1.04 1.56 -0.08 -3.70 -4.36 -0.38 -4.99 121.20 110.30 1rsd s ILE 116 Ca -0.08 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1rsd s ILE 116 Cb -0.10 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.83 1rsd s ILE 116 CO -0.06 -0.48 -0.05 -0.69 0.24 0.00 0.00 174.94 173.90 1rsd s VAL 117 N -2.51 0.72 -0.14 8.37 1.01 -1.26 -1.18 120.40 125.41 1rsd s VAL 117 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 1rsd s VAL 117 Cb -0.03 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.60 1rsd s VAL 117 CO 0.05 0.30 -0.09 -0.13 0.00 0.00 0.00 175.10 175.23 1rsd s ARG 118 N 1.57 1.74 0.46 2.72 1.81 0.05 -4.98 118.95 122.32 1rsd s ARG 118 Ca 0.00 -0.45 -0.22 0.00 -1.72 0.00 0.00 55.73 53.35 1rsd s ARG 118 Cb -0.13 -1.90 -0.08 0.00 -0.45 0.00 0.00 34.95 32.39 1rsd s ARG 118 CO -0.05 -0.32 1.07 -1.83 -0.68 0.00 0.00 175.30 173.49 1rsd s GLU 119 N 1.61 3.86 -0.30 3.54 -1.05 -1.26 -0.82 118.70 124.28 1rsd s GLU 119 Ca 0.03 1.48 -0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1rsd s GLU 119 Cb -0.14 -2.25 -0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1rsd s GLU 119 CO -0.09 -0.40 0.79 1.21 0.95 0.00 0.00 175.26 177.72 1rsd s ASN 120 N -1.76 6.67 0.00 0.83 3.84 -0.28 -4.89 114.94 119.35 1rsd s ASN 120 Ca 0.65 0.69 0.31 0.00 0.21 0.00 0.00 52.86 54.72 1rsd s ASN 120 Cb -0.20 -2.41 1.68 0.00 -0.55 0.00 0.00 41.25 39.77 1rsd s ASN 120 CO 0.25 -0.60 2.10 0.29 -2.79 0.00 0.00 177.10 176.34