#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rri n GLN 2 N 0.00 3.29 -2.41 2.12 6.02 -1.26 -5.00 117.38 120.14 1rri n GLN 2 Ca 0.00 -2.68 -0.39 0.00 -0.01 0.00 0.00 57.00 53.93 1rri n GLN 2 Cb 0.00 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.49 1rri n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rri s ASP 3 N -1.33 6.87 0.09 1.08 1.11 -1.26 -5.02 116.67 118.21 1rri s ASP 3 Ca 0.41 2.27 -0.08 0.00 0.18 0.00 0.00 52.55 55.32 1rri s ASP 3 Cb 0.29 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 1rri s ASP 3 CO 0.15 -0.43 0.18 0.42 1.18 0.00 0.00 175.17 176.67 1rri s THR 4 N -1.36 0.14 -0.04 -1.27 -4.23 -1.26 -2.47 115.64 105.15 1rri s THR 4 Ca 0.52 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.83 1rri s THR 4 Cb -0.30 -1.39 -0.01 0.00 1.34 0.00 0.00 72.50 72.14 1rri s THR 4 CO 0.38 -0.65 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.97 1rri s ILE 5 N -3.87 1.64 0.02 2.99 1.01 0.08 -4.88 121.20 118.19 1rri s ILE 5 Ca 0.06 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1rri s ILE 5 Cb 0.05 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1rri s ILE 5 CO -0.10 0.47 0.00 0.72 0.00 0.00 0.00 174.94 176.03 1rri s PHE 6 N -0.11 0.23 -0.20 3.97 -0.12 -1.26 0.06 117.98 120.55 1rri s PHE 6 Ca -0.02 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1rri s PHE 6 Cb -0.11 -0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.15 1rri s PHE 6 CO 0.02 -0.23 -0.03 -0.51 -0.05 0.00 0.00 175.22 174.42 1rri s LEU 7 N -1.56 1.94 0.06 -1.99 1.02 -0.27 -5.01 118.68 112.86 1rri s LEU 7 Ca -0.14 -0.93 0.03 0.00 0.02 0.00 0.00 54.13 53.11 1rri s LEU 7 Cb -0.08 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.13 1rri s LEU 7 CO -0.01 -0.23 0.04 -0.54 0.02 0.00 0.00 176.35 175.62 1rri s LYS 8 N 1.58 2.77 -1.39 1.70 1.02 -1.26 -1.32 119.74 122.84 1rri s LYS 8 Ca -0.03 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 1rri s LYS 8 Cb -0.17 -2.67 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 1rri s LYS 8 CO -0.07 0.58 0.56 0.41 -0.92 0.00 0.00 175.35 175.91 1rri n GLY 9 N 0.75 -0.50 3.71 -3.33 0.00 -1.18 -4.93 105.19 99.71 1rri n GLY 9 Ca -0.11 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rri n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rri s MET 10 N -5.93 4.32 -0.05 1.61 -1.94 0.15 -4.76 119.30 112.70 1rri s MET 10 Ca 0.38 2.03 0.06 0.00 -1.71 0.00 0.00 55.69 56.45 1rri s MET 10 Cb -0.19 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.32 1rri s MET 10 CO 0.47 -0.45 -0.24 1.03 -0.01 0.00 0.00 175.02 175.83 1rri s ARG 11 N 1.34 2.40 0.01 2.03 0.52 -1.26 0.84 118.95 124.84 1rri s ARG 11 Ca 0.64 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1rri s ARG 11 Cb -0.35 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.06 1rri s ARG 11 CO 0.30 0.35 -0.06 -0.06 0.02 0.00 0.00 175.30 175.85 1rri s PHE 12 N -0.12 0.53 -0.30 -0.53 0.08 -0.56 -4.97 117.98 112.11 1rri s PHE 12 Ca -0.04 -0.22 -0.16 0.00 0.12 0.00 0.00 56.93 56.63 1rri s PHE 12 Cb -0.13 -0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 41.96 1rri s PHE 12 CO 0.03 -0.03 0.44 -0.47 -0.10 0.00 0.00 175.22 175.09 1rri s TYR 13 N -0.53 3.23 0.39 0.36 6.14 -1.26 -0.88 117.35 124.80 1rri s TYR 13 Ca -0.02 0.35 0.05 0.00 0.64 0.00 0.00 57.07 58.09 1rri s TYR 13 Cb -0.05 -2.71 -0.02 0.00 0.42 0.00 0.00 41.96 39.61 1rri s TYR 13 CO -0.00 -0.35 0.17 0.41 0.64 0.00 0.00 175.55 176.42 1rri n GLY 14 N 4.68 3.19 0.58 8.97 0.00 0.13 -4.82 105.19 117.92 1rri n GLY 14 Ca -0.06 -2.07 0.06 0.00 0.00 0.00 0.00 46.02 43.94 1rri n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rri n TYR 15 N -0.86 0.00 -2.62 1.61 4.02 -1.26 -0.26 117.16 117.80 1rri n TYR 15 Ca -0.03 -1.12 -0.32 0.00 -0.01 0.00 0.00 57.90 56.42 1rri n TYR 15 Cb 0.60 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.68 1rri n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rri s HIS 16 N -2.45 3.42 0.00 -0.72 3.76 -1.26 -3.97 115.29 114.07 1rri s HIS 16 Ca 0.33 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1rri s HIS 16 Cb 0.32 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 31.28 1rri s HIS 16 CO -0.05 -0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.01 1rri n GLY 17 N -1.22 4.52 0.19 -2.22 0.00 -0.40 -4.67 105.19 101.39 1rri n GLY 17 Ca 0.06 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.54 1rri n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rri h ALA 18 N 0.00 1.00 -2.80 4.61 0.00 -1.80 -3.42 119.26 116.86 1rri h ALA 18 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1rri h ALA 18 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1rri h ALA 18 CO 0.00 0.00 -0.22 -1.17 0.00 0.00 0.00 179.25 177.86 1rri s LEU 19 N -5.16 4.39 0.15 0.00 2.96 -1.26 -5.00 118.68 114.76 1rri s LEU 19 Ca 0.02 0.84 -0.22 0.00 -0.22 0.00 0.00 54.13 54.56 1rri s LEU 19 Cb 0.09 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1rri s LEU 19 CO 0.44 0.22 1.64 0.28 -1.32 0.00 0.00 176.35 177.61 1rri h SER 20 N 5.48 -0.64 -0.90 3.68 0.02 -2.00 -1.97 113.55 117.22 1rri h SER 20 Ca -0.48 0.12 0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1rri h SER 20 Cb 1.20 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 63.95 1rri h SER 20 CO 0.67 -0.24 0.47 0.00 -1.14 0.00 0.00 176.83 176.59 1rri h ALA 21 N 0.88 1.41 -0.64 3.77 0.00 -1.96 -0.94 119.26 121.78 1rri h ALA 21 Ca 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1rri h ALA 21 Cb 0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1rri h ALA 21 CO -0.34 -0.13 0.28 0.93 0.00 0.00 0.00 179.25 179.98 1rri h GLU 22 N 0.62 0.94 0.00 0.00 5.08 -1.72 -0.82 114.58 118.67 1rri h GLU 22 Ca 0.51 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1rri h GLU 22 Cb 0.80 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1rri h GLU 22 CO -0.40 0.78 -0.32 -0.91 -1.00 0.00 0.00 179.01 177.16 1rri h ASN 23 N 0.89 0.00 0.14 1.42 2.35 -0.79 -0.34 115.58 119.24 1rri h ASN 23 Ca 0.22 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1rri h ASN 23 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1rri h ASN 23 CO -0.02 0.32 -0.07 -0.08 -1.65 0.00 0.00 177.43 175.93 1rri h GLU 24 N 0.00 -0.18 0.15 0.81 4.81 -0.69 -3.40 114.58 116.08 1rri h GLU 24 Ca -0.00 0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1rri h GLU 24 Cb 0.58 0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.03 1rri h GLU 24 CO 0.04 0.25 -1.00 0.82 -0.73 0.00 0.00 179.01 178.39 1rri h ILE 25 N -0.91 1.42 0.00 2.32 2.04 -1.20 -3.51 117.51 117.66 1rri h ILE 25 Ca -0.02 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1rri h ILE 25 Cb 0.51 3.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.62 1rri h ILE 25 CO 0.03 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.52 1rri n GLY 26 N 1.57 -1.03 3.76 5.37 0.00 -0.14 -5.00 105.19 109.71 1rri n GLY 26 Ca -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.20 1rri n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rri s GLN 27 N -1.79 1.22 0.07 1.61 -2.07 0.65 -4.96 119.66 114.38 1rri s GLN 27 Ca 0.00 -0.67 -0.25 0.00 -1.82 0.00 0.00 55.36 52.62 1rri s GLN 27 Cb 0.00 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.28 1rri s GLN 27 CO 0.00 -0.56 0.75 0.42 -1.32 0.00 0.00 175.29 174.58 1rri s ILE 28 N -3.31 4.67 -0.11 3.63 -1.09 -1.26 -0.69 121.20 123.05 1rri s ILE 28 Ca 0.12 1.61 0.02 0.00 -2.23 0.00 0.00 60.65 60.17 1rri s ILE 28 Cb -0.02 -4.10 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1rri s ILE 28 CO 0.02 0.40 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.59 1rri s PHE 29 N -0.30 2.67 -0.17 3.97 0.40 -0.05 -4.23 117.98 120.27 1rri s PHE 29 Ca 0.37 -0.81 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1rri s PHE 29 Cb -0.21 -1.76 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1rri s PHE 29 CO 0.23 -0.29 0.07 0.21 0.70 0.00 0.00 175.22 176.14 1rri s LYS 30 N 0.27 3.87 -0.03 0.44 2.20 -0.40 -1.50 119.74 124.58 1rri s LYS 30 Ca -0.13 -0.32 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1rri s LYS 30 Cb -0.17 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1rri s LYS 30 CO 0.07 0.36 -0.12 0.08 -0.36 0.00 0.00 175.35 175.38 1rri s VAL 31 N 0.13 1.02 -0.14 4.02 1.01 0.25 -0.31 120.40 126.38 1rri s VAL 31 Ca 0.05 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 1rri s VAL 31 Cb -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1rri s VAL 31 CO 0.00 0.31 -0.18 -1.81 0.00 0.00 0.00 175.10 173.43 1rri s ASP 32 N 0.16 2.83 -0.17 3.32 1.01 -0.36 -0.67 116.67 122.78 1rri s ASP 32 Ca -0.04 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.69 1rri s ASP 32 Cb -0.10 -1.29 0.03 0.00 1.01 0.00 0.00 42.92 42.57 1rri s ASP 32 CO 0.01 0.01 -0.16 -0.69 0.21 0.00 0.00 175.17 174.55 1rri s VAL 33 N 1.15 1.83 -0.16 -1.27 1.01 -0.43 -0.93 120.40 121.60 1rri s VAL 33 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1rri s VAL 33 Cb -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1rri s VAL 33 CO -0.07 0.43 -0.16 -0.89 0.00 0.00 0.00 175.10 174.42 1rri s THR 34 N 1.37 2.61 -0.16 3.92 2.01 -0.30 -1.11 115.64 123.96 1rri s THR 34 Ca 0.04 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1rri s THR 34 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1rri s THR 34 CO -0.11 0.51 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.51 1rri s LEU 35 N 0.88 3.01 -0.44 4.42 1.43 0.11 -1.31 118.68 126.78 1rri s LEU 35 Ca -0.04 -0.25 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 1rri s LEU 35 Cb -0.15 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1rri s LEU 35 CO -0.01 0.12 1.01 -0.75 0.23 0.00 0.00 176.35 176.94 1rri s LYS 36 N 0.64 3.69 -0.05 1.70 2.20 -0.63 -0.74 119.74 126.56 1rri s LYS 36 Ca -0.04 0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 55.98 1rri s LYS 36 Cb -0.15 -3.88 0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1rri s LYS 36 CO 0.02 -1.20 0.11 0.08 -0.36 0.00 0.00 175.35 174.00 1rri s VAL 37 N 3.93 -0.02 -0.31 4.02 1.01 -1.03 -0.86 120.40 127.14 1rri s VAL 37 Ca 0.41 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1rri s VAL 37 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 1rri s VAL 37 CO 0.26 0.03 1.44 -0.62 0.00 0.00 0.00 175.10 176.21 1rri s ASP 38 N 0.48 6.47 0.00 3.32 -1.08 -1.26 -4.03 116.67 120.57 1rri s ASP 38 Ca -0.04 1.24 0.23 0.00 -0.52 0.00 0.00 52.55 53.46 1rri s ASP 38 Cb -0.05 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.31 1rri s ASP 38 CO -0.02 -1.24 1.41 0.18 0.52 0.00 0.00 175.17 176.01 1rri n LEU 39 N 8.27 3.28 -0.07 -1.34 4.77 -1.26 -4.60 117.00 126.04 1rri n LEU 39 Ca 0.17 -1.38 -0.10 0.00 -0.03 0.00 0.00 56.01 54.66 1rri n LEU 39 Cb 0.47 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1rri n LEU 39 CO 0.65 0.69 0.94 0.77 -1.33 0.00 0.00 177.39 179.12 1rri h SER 40 N 4.30 0.33 0.05 -1.43 4.64 -1.95 -0.17 113.55 119.32 1rri h SER 40 Ca 0.00 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1rri h SER 40 Cb 0.95 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.92 1rri h SER 40 CO 0.00 0.31 -0.21 -0.08 -0.87 0.00 0.00 176.83 175.98 1rri h GLU 41 N 0.32 -0.35 -0.25 4.77 4.81 -1.89 0.20 114.58 122.18 1rri h GLU 41 Ca 0.09 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1rri h GLU 41 Cb 0.05 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1rri h GLU 41 CO -0.02 -0.23 0.12 0.00 -0.73 0.00 0.00 179.01 178.15 1rri h ALA 42 N 0.48 1.74 -0.15 2.92 0.00 -1.68 0.25 119.26 122.83 1rri h ALA 42 Ca 0.04 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1rri h ALA 42 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rri h ALA 42 CO -0.16 0.22 -0.20 0.78 0.00 0.00 0.00 179.25 179.89 1rri h GLY 43 N 0.44 0.28 0.00 0.00 0.00 0.59 0.18 103.07 104.55 1rri h GLY 43 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1rri h GLY 43 CO -0.01 0.18 -0.10 -0.09 0.00 0.00 0.00 176.54 176.52 1rri h ARG 44 N 0.24 0.00 -0.27 4.80 2.43 0.76 -3.40 114.38 118.94 1rri h ARG 44 Ca 0.04 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1rri h ARG 44 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1rri h ARG 44 CO 0.03 0.57 -0.29 1.79 -1.51 0.00 0.00 179.97 180.56 1rri h THR 45 N -1.00 1.31 -0.20 0.20 1.35 -0.56 -3.47 112.91 110.54 1rri h THR 45 Ca -0.02 -1.46 -0.09 0.00 -0.55 0.00 0.00 66.41 64.29 1rri h THR 45 Cb 0.61 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1rri h THR 45 CO -0.01 0.46 -0.08 -0.67 -0.25 0.00 0.00 175.52 174.97 1rri n ASP 46 N -4.28 -3.61 -4.59 5.36 2.03 0.62 -5.00 116.55 107.08 1rri n ASP 46 Ca -0.04 0.10 -0.38 0.00 0.52 0.00 0.00 54.79 54.99 1rri n ASP 46 Cb 0.47 -1.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.28 1rri n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rri s ASN 47 N -2.81 6.06 0.60 1.67 3.84 -1.26 -4.96 114.94 118.08 1rri s ASN 47 Ca 0.00 0.01 0.29 0.00 0.21 0.00 0.00 52.86 53.37 1rri s ASN 47 Cb 0.00 -2.14 1.61 0.00 -0.55 0.00 0.00 41.25 40.18 1rri s ASN 47 CO 0.00 -0.09 2.01 1.62 -2.79 0.00 0.00 177.10 177.86 1rri h VAL 48 N 5.38 0.36 0.00 -5.21 3.04 -1.94 -0.64 116.25 117.25 1rri h VAL 48 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1rri h VAL 48 Cb 1.18 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1rri h VAL 48 CO 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.13 1rri n ILE 49 N -3.64 0.02 -0.71 3.17 0.13 -1.26 -2.90 119.36 114.17 1rri n ILE 49 Ca 0.03 0.00 0.08 0.00 -1.10 0.00 0.00 62.75 61.77 1rri n ILE 49 Cb 0.44 -0.60 0.31 0.00 -0.84 0.00 0.00 39.64 38.95 1rri n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rri n ASP 50 N -1.02 4.38 -2.08 9.51 8.00 -0.25 -4.99 116.55 130.11 1rri n ASP 50 Ca 0.19 -2.63 -0.07 0.00 0.71 0.00 0.00 54.79 52.99 1rri n ASP 50 Cb 0.10 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.66 1rri n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rri n THR 51 N 0.46 0.00 -3.74 -3.53 5.66 -1.14 -4.00 114.28 107.99 1rri n THR 51 Ca 0.23 -0.89 -0.37 0.00 -3.05 0.00 0.00 64.05 59.96 1rri n THR 51 Cb 0.87 0.59 -0.12 0.00 -1.55 0.00 0.00 70.33 70.12 1rri n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rri s VAL 52 N -2.61 4.17 -0.17 1.08 1.01 -1.26 -5.04 120.40 117.57 1rri s VAL 52 Ca 0.14 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1rri s VAL 52 Cb -0.01 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1rri s VAL 52 CO 0.10 0.13 2.07 -2.28 0.00 0.00 0.00 175.10 175.12 1rri s HIS 53 N 1.55 1.33 0.33 5.22 2.46 -1.26 -4.89 115.29 120.03 1rri s HIS 53 Ca 0.04 0.33 0.02 0.00 0.47 0.00 0.00 55.06 55.92 1rri s HIS 53 Cb -0.17 -4.02 0.61 0.00 -0.13 0.00 0.00 32.58 28.87 1rri s HIS 53 CO 0.03 -4.21 1.97 0.10 -2.47 0.00 0.00 174.74 170.16 1rri h TYR 54 N 13.51 0.88 -0.77 3.88 -0.00 -1.98 -2.32 116.97 130.18 1rri h TYR 54 Ca -0.42 0.02 0.06 0.00 0.00 0.00 0.00 58.73 58.40 1rri h TYR 54 Cb 1.22 -0.29 -0.05 0.00 0.00 0.00 0.00 36.73 37.61 1rri h TYR 54 CO 0.94 0.51 0.50 0.78 -0.00 0.00 0.00 178.16 180.89 1rri h GLY 55 N 0.91 1.04 1.93 0.10 0.00 -2.00 -1.81 103.07 103.23 1rri h GLY 55 Ca 0.30 -0.33 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 1rri h GLY 55 CO -0.09 0.25 -0.70 0.83 0.00 0.00 0.00 176.54 176.83 1rri h GLU 56 N 0.83 0.07 -0.29 4.80 5.08 -1.82 -3.03 114.58 120.22 1rri h GLU 56 Ca 0.33 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1rri h GLU 56 Cb 0.22 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1rri h GLU 56 CO -0.11 0.75 -0.50 0.28 -1.00 0.00 0.00 179.01 178.42 1rri h VAL 57 N 0.05 1.28 -0.79 3.13 2.07 -1.20 -2.80 116.25 117.99 1rri h VAL 57 Ca -0.01 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1rri h VAL 57 Cb 1.25 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1rri h VAL 57 CO 0.10 0.55 0.45 0.15 0.02 0.00 0.00 177.57 178.84 1rri h PHE 58 N 0.62 1.05 -0.64 1.57 3.57 -1.38 -1.24 116.94 120.50 1rri h PHE 58 Ca 0.02 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1rri h PHE 58 Cb 1.11 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1rri h PHE 58 CO 0.08 0.72 0.13 0.93 -2.23 0.00 0.00 178.31 177.94 1rri h GLU 59 N 1.09 1.02 -0.26 1.11 4.39 -1.44 0.56 114.58 121.06 1rri h GLU 59 Ca 0.28 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 1rri h GLU 59 Cb -0.01 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1rri h GLU 59 CO -0.05 0.92 -0.01 0.93 -1.16 0.00 0.00 179.01 179.64 1rri h GLU 60 N 0.97 0.46 0.26 2.33 4.39 -1.16 -1.73 114.58 120.11 1rri h GLU 60 Ca 0.20 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1rri h GLU 60 Cb 0.37 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1rri h GLU 60 CO 0.00 0.64 -0.16 0.28 -1.16 0.00 0.00 179.01 178.61 1rri h VAL 61 N 0.23 0.66 -0.48 3.13 2.07 -1.07 -2.86 116.25 117.94 1rri h VAL 61 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 1rri h VAL 61 Cb 0.44 0.66 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 1rri h VAL 61 CO 0.02 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.99 1rri h LYS 62 N -0.41 -0.00 -0.52 1.57 3.64 -0.82 0.17 116.57 120.20 1rri h LYS 62 Ca -0.03 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1rri h LYS 62 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1rri h LYS 62 CO 0.03 -0.00 0.35 0.66 -2.27 0.00 0.00 179.45 178.21 1rri h SER 63 N -0.00 0.39 0.20 4.20 4.64 -1.24 0.32 113.55 122.06 1rri h SER 63 Ca 0.23 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.26 1rri h SER 63 Cb 0.35 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1rri h SER 63 CO -0.49 0.26 -1.36 0.40 -0.87 0.00 0.00 176.83 174.76 1rri h ILE 64 N 0.45 1.24 -0.09 0.95 2.04 -1.00 -3.02 117.51 118.07 1rri h ILE 64 Ca 0.22 -2.58 -0.19 0.00 1.00 0.00 0.00 64.86 63.32 1rri h ILE 64 Cb 0.32 2.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1rri h ILE 64 CO -0.06 0.78 -0.72 0.24 0.00 0.00 0.00 178.15 178.39 1rri h MET 65 N -0.06 0.46 -0.65 2.37 2.86 -0.33 -3.18 114.93 116.41 1rri h MET 65 Ca -0.25 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1rri h MET 65 Cb 1.97 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.70 1rri h MET 65 CO 0.20 1.01 0.00 0.39 1.06 0.00 0.00 176.91 179.56 1rri n GLU 66 N -3.86 3.55 -0.34 1.72 1.02 0.11 -4.63 120.64 118.21 1rri n GLU 66 Ca -0.05 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1rri n GLU 66 Cb 0.71 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1rri n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rri n GLY 67 N 1.07 1.79 3.43 0.62 0.00 -1.14 -5.00 105.19 105.95 1rri n GLY 67 Ca 0.24 -2.05 -0.50 0.00 0.00 0.00 0.00 46.02 43.71 1rri n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rri n LYS 68 N -0.36 0.07 -2.79 1.61 4.81 -1.26 -4.86 118.16 115.37 1rri n LYS 68 Ca 0.00 0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 57.05 1rri n LYS 68 Cb 0.00 -1.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.88 1rri n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rri s ALA 69 N -0.81 3.40 0.54 3.14 0.00 -1.26 -4.95 121.76 121.83 1rri s ALA 69 Ca 0.69 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1rri s ALA 69 Cb -0.98 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 18.87 1rri s ALA 69 CO 0.56 -0.52 0.42 0.14 0.00 0.00 0.00 175.76 176.36 1rri s VAL 70 N 1.79 1.67 -0.11 0.00 -7.23 -1.26 -4.91 120.40 110.35 1rri s VAL 70 Ca 0.44 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 1rri s VAL 70 Cb -0.18 -2.15 -0.26 0.00 0.56 0.00 0.00 36.38 34.35 1rri s VAL 70 CO 0.17 0.00 0.44 0.78 -0.31 0.00 0.00 175.10 176.18 1rri h ASN 71 N 0.74 0.40 -2.58 4.85 2.35 -1.95 -1.06 115.58 118.32 1rri h ASN 71 Ca -0.37 -0.89 -0.57 0.00 -0.55 0.00 0.00 56.30 53.93 1rri h ASN 71 Cb 1.30 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 39.45 1rri h ASN 71 CO 0.57 1.77 -0.62 -0.76 -1.65 0.00 0.00 177.43 176.73 1rri s LEU 72 N -7.28 3.43 0.27 1.61 1.43 -1.26 -2.92 118.68 113.96 1rri s LEU 72 Ca -0.21 -0.40 0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1rri s LEU 72 Cb 0.06 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.39 1rri s LEU 72 CO 0.76 0.04 1.48 -0.07 0.23 0.00 0.00 176.35 178.79 1rri h LEU 73 N 2.27 0.00 -1.02 1.79 3.38 -1.99 -2.98 115.31 116.76 1rri h LEU 73 Ca -0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 1rri h LEU 73 Cb 1.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1rri h LEU 73 CO 0.60 0.59 0.17 -0.33 0.09 0.00 0.00 178.44 179.55 1rri h GLU 74 N 0.00 0.88 -0.07 1.13 3.07 -1.98 0.13 114.58 117.74 1rri h GLU 74 Ca -0.01 -0.17 -0.19 0.00 -0.50 0.00 0.00 59.36 58.50 1rri h GLU 74 Cb 1.36 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1rri h GLU 74 CO 0.08 0.76 -0.75 1.25 -1.40 0.00 0.00 179.01 178.95 1rri h HIS 75 N 0.85 0.52 -0.23 4.33 2.76 -1.96 -1.68 115.15 119.74 1rri h HIS 75 Ca 0.19 -0.24 -0.20 0.00 -2.20 0.00 0.00 60.37 57.93 1rri h HIS 75 Cb 0.26 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1rri h HIS 75 CO 0.02 0.99 -0.63 -0.07 -1.30 0.00 0.00 177.93 176.94 1rri h LEU 76 N 0.25 0.92 -0.36 0.26 3.38 -1.26 -2.54 115.31 115.96 1rri h LEU 76 Ca -0.03 -0.53 -0.19 0.00 0.09 0.00 0.00 57.88 57.21 1rri h LEU 76 Cb 1.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1rri h LEU 76 CO 0.13 1.32 -0.77 0.00 0.09 0.00 0.00 178.44 179.21 1rri h ALA 77 N 0.68 0.56 -0.43 1.53 0.00 -0.79 -2.91 119.26 117.89 1rri h ALA 77 Ca -0.01 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1rri h ALA 77 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1rri h ALA 77 CO 0.13 0.78 -0.02 1.49 0.00 0.00 0.00 179.25 181.64 1rri h GLU 78 N 0.25 0.71 0.00 0.00 4.57 -1.29 -0.74 114.58 118.08 1rri h GLU 78 Ca -0.04 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 57.81 1rri h GLU 78 Cb 1.36 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1rri h GLU 78 CO 0.13 0.74 -0.69 0.00 -1.18 0.00 0.00 179.01 178.01 1rri h ARG 79 N 0.66 0.00 0.05 1.92 3.08 -1.48 -2.35 114.38 116.26 1rri h ARG 79 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1rri h ARG 79 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1rri h ARG 79 CO 0.02 0.69 -0.03 0.82 -1.07 0.00 0.00 179.97 180.40 1rri h ILE 80 N 0.00 1.24 -0.56 2.04 2.04 -1.30 -1.84 117.51 119.13 1rri h ILE 80 Ca -0.01 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.32 1rri h ILE 80 Cb 1.38 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 39.61 1rri h ILE 80 CO 0.09 0.36 0.32 0.00 0.00 0.00 0.00 178.15 178.92 1rri h ALA 81 N -0.07 0.73 -0.84 1.87 0.00 -1.23 -0.73 119.26 118.99 1rri h ALA 81 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1rri h ALA 81 Cb 0.65 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1rri h ALA 81 CO 0.01 0.01 0.42 -0.97 0.00 0.00 0.00 179.25 178.72 1rri h ASN 82 N 0.62 1.08 0.41 0.00 -0.00 -1.51 -1.16 115.58 115.02 1rri h ASN 82 Ca 0.24 -0.12 -0.12 0.00 -0.00 0.00 0.00 56.30 56.30 1rri h ASN 82 Cb 0.09 -0.28 -0.01 0.00 -0.00 0.00 0.00 38.32 38.12 1rri h ASN 82 CO -0.13 0.89 -0.53 -0.09 -0.00 0.00 0.00 177.43 177.57 1rri h ARG 83 N 1.19 0.13 0.23 6.67 9.65 -0.58 -2.37 114.38 129.30 1rri h ARG 83 Ca 0.29 -0.08 -0.34 0.00 -1.10 0.00 0.00 59.98 58.75 1rri h ARG 83 Cb 0.09 0.01 0.03 0.00 -1.39 0.00 0.00 29.97 28.70 1rri h ARG 83 CO -0.04 0.64 -1.57 0.82 2.80 0.00 0.00 179.97 182.61 1rri h ILE 84 N 0.10 1.17 -0.48 1.20 2.04 -0.95 -3.13 117.51 117.47 1rri h ILE 84 Ca -0.00 -2.65 -0.08 0.00 1.00 0.00 0.00 64.86 63.13 1rri h ILE 84 Cb 0.98 2.94 -0.02 0.00 -0.74 0.00 0.00 36.82 39.98 1rri h ILE 84 CO 0.08 0.83 -0.02 0.78 0.00 0.00 0.00 178.15 179.82 1rri h ASN 85 N 0.13 0.78 -0.55 1.72 2.35 -1.25 -2.51 115.58 116.24 1rri h ASN 85 Ca -0.28 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.20 1rri h ASN 85 Cb 2.14 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 40.28 1rri h ASN 85 CO 0.24 0.85 0.07 0.28 -1.65 0.00 0.00 177.43 177.22 1rri h SER 86 N 0.75 0.89 0.73 5.81 0.02 -1.52 -3.27 113.55 116.96 1rri h SER 86 Ca 0.14 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1rri h SER 86 Cb 0.48 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1rri h SER 86 CO 0.02 0.94 -0.79 0.00 -1.14 0.00 0.00 176.83 175.86 1rri n GLN 87 N -4.33 0.32 -3.91 3.45 6.02 -1.18 -4.80 117.38 112.95 1rri n GLN 87 Ca 0.02 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 1rri n GLN 87 Cb 0.28 -1.67 -0.16 0.00 1.02 0.00 0.00 30.24 29.71 1rri n GLN 87 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rri s TYR 88 N -3.20 1.83 -0.07 1.08 2.02 -0.95 -4.96 117.35 113.10 1rri s TYR 88 Ca 0.05 -1.18 0.19 0.00 -0.37 0.00 0.00 57.07 55.76 1rri s TYR 88 Cb 0.13 -1.37 0.42 0.00 -0.40 0.00 0.00 41.96 40.75 1rri s TYR 88 CO 0.75 -0.64 1.61 -0.97 -1.57 0.00 0.00 175.55 174.73 1rri h ASN 89 N 8.09 0.00 1.00 2.29 -0.73 -1.87 -3.15 115.58 121.22 1rri h ASN 89 Ca -0.25 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.92 1rri h ASN 89 Cb 1.11 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.70 1rri h ASN 89 CO 0.41 0.35 0.00 0.03 -0.37 0.00 0.00 177.43 177.85 1rri h ARG 90 N 0.00 0.00 -6.43 6.67 3.08 -1.93 -3.41 114.38 112.37 1rri h ARG 90 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.47 1rri h ARG 90 Cb 1.10 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.06 1rri h ARG 90 CO 0.05 0.00 0.83 0.08 -1.07 0.00 0.00 179.97 179.86 1rri s VAL 91 N -3.62 4.20 -0.12 2.04 1.01 -1.19 -4.42 120.40 118.30 1rri s VAL 91 Ca 0.02 0.86 0.20 0.00 0.00 0.00 0.00 61.98 63.06 1rri s VAL 91 Cb 0.09 -4.62 0.19 0.00 0.00 0.00 0.00 36.38 32.04 1rri s VAL 91 CO 0.53 -1.13 1.62 0.24 0.00 0.00 0.00 175.10 176.35 1rri h MET 92 N 9.35 0.00 -1.63 2.72 2.86 -1.24 -3.41 114.93 123.58 1rri h MET 92 Ca -0.24 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1rri h MET 92 Cb 1.06 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.47 1rri h MET 92 CO 1.13 0.28 0.44 -2.00 1.06 0.00 0.00 176.91 177.83 1rri s GLU 93 N -3.25 0.56 -0.09 1.72 2.12 -1.25 -1.76 118.70 116.74 1rri s GLU 93 Ca 0.04 0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.92 1rri s GLU 93 Cb 0.08 0.27 -0.00 0.00 0.26 0.00 0.00 34.13 34.74 1rri s GLU 93 CO 0.69 -0.10 -0.23 0.99 -0.54 0.00 0.00 175.26 176.07 1rri s THR 94 N -0.08 2.00 -0.19 -1.70 2.01 0.13 -1.60 115.64 116.21 1rri s THR 94 Ca 0.01 -0.99 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 1rri s THR 94 Cb -0.04 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1rri s THR 94 CO -0.04 0.55 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.62 1rri s LYS 95 N 0.32 3.38 -0.14 4.92 2.20 -0.42 0.75 119.74 130.74 1rri s LYS 95 Ca -0.18 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1rri s LYS 95 Cb -0.18 -2.89 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1rri s LYS 95 CO 0.08 -0.08 -0.16 0.08 -0.36 0.00 0.00 175.35 174.91 1rri s VAL 96 N 1.14 1.66 -0.13 4.02 1.01 0.34 -1.15 120.40 127.28 1rri s VAL 96 Ca 0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1rri s VAL 96 Cb -0.14 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 1rri s VAL 96 CO -0.02 0.47 -0.14 -0.60 0.00 0.00 0.00 175.10 174.82 1rri s ARG 97 N 1.21 3.33 -0.08 2.72 3.52 -0.10 -1.21 118.95 128.33 1rri s ARG 97 Ca -0.01 -0.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1rri s ARG 97 Cb -0.14 -2.61 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1rri s ARG 97 CO -0.07 0.18 -0.18 0.42 -0.81 0.00 0.00 175.30 174.85 1rri s ILE 98 N 0.43 1.55 -0.07 4.11 1.01 -0.49 -1.22 121.20 126.52 1rri s ILE 98 Ca -0.11 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1rri s ILE 98 Cb -0.16 -1.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 1rri s ILE 98 CO 0.05 0.45 -0.23 -0.89 0.00 0.00 0.00 174.94 174.32 1rri s THR 99 N 0.49 1.93 -0.50 2.92 2.01 0.58 -2.14 115.64 120.94 1rri s THR 99 Ca -0.16 -0.98 -0.13 0.00 0.31 0.00 0.00 61.69 60.73 1rri s THR 99 Cb -0.17 -1.66 0.11 0.00 0.01 0.00 0.00 72.50 70.80 1rri s THR 99 CO 0.06 0.54 0.41 -0.54 -0.69 0.00 0.00 174.62 174.40 1rri s LYS 100 N 0.11 2.81 0.39 4.92 1.02 0.30 -1.28 119.74 128.01 1rri s LYS 100 Ca -0.10 -1.63 0.25 0.00 0.02 0.00 0.00 55.97 54.51 1rri s LYS 100 Cb -0.15 -4.11 0.62 0.00 -0.52 0.00 0.00 37.83 33.66 1rri s LYS 100 CO 0.06 -1.19 1.70 0.93 -0.92 0.00 0.00 175.35 175.93 1rri h GLU 101 N 8.69 0.00 -2.03 1.68 5.08 -1.81 -0.42 114.58 125.78 1rri h GLU 101 Ca -0.27 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.57 1rri h GLU 101 Cb 1.09 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.94 1rri h GLU 101 CO 0.93 0.00 -1.10 0.09 -1.00 0.00 0.00 179.01 177.93 1rri n ASN 102 N -2.85 0.90 -4.88 1.42 3.02 -1.26 -4.53 115.26 107.07 1rri n ASN 102 Ca 0.04 -2.93 -0.30 0.00 -0.03 0.00 0.00 54.58 51.35 1rri n ASN 102 Cb 0.46 -0.63 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1rri n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rri s PRO 103 N -1.97 3.00 0.00 3.52 0.04 -1.26 -4.90 135.00 133.43 1rri s PRO 103 Ca 0.38 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.89 1rri s PRO 103 Cb 0.26 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 1rri s PRO 103 CO -0.09 -0.93 1.79 -2.30 0.04 0.00 0.00 177.00 175.51 1rri n PRO 104 N -2.93 0.88 -3.84 0.56 -0.02 -1.26 -4.74 135.00 123.66 1rri n PRO 104 Ca 0.07 -0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 60.83 1rri n PRO 104 Cb 0.57 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.33 1rri n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rri s ILE 105 N 1.60 3.36 -0.83 4.25 1.01 -1.26 -5.04 121.20 124.29 1rri s ILE 105 Ca 0.24 -1.25 -0.25 0.00 0.00 0.00 0.00 60.65 59.38 1rri s ILE 105 Cb 0.11 -2.91 -0.16 0.00 0.01 0.00 0.00 42.46 39.51 1rri s ILE 105 CO 0.00 -0.13 2.37 -2.65 0.00 0.00 0.00 174.94 174.53 1rri n PRO 106 N 4.71 0.48 -3.57 2.79 -0.02 -1.26 -4.77 135.00 133.35 1rri n PRO 106 Ca -0.13 -0.92 0.04 0.00 -2.02 0.00 0.00 63.50 60.46 1rri n PRO 106 Cb 0.44 -3.62 0.01 0.00 -0.02 0.00 0.00 33.50 30.31 1rri n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rri n GLY 107 N 6.67 0.16 3.24 -1.23 0.00 -1.26 -5.13 105.19 107.64 1rri n GLY 107 Ca 0.47 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1rri n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rri s HIS 108 N -2.02 3.08 0.19 1.61 3.76 -1.26 -5.07 115.29 115.57 1rri s HIS 108 Ca 0.25 -1.40 -0.23 0.00 -0.15 0.00 0.00 55.06 53.54 1rri s HIS 108 Cb -0.00 -2.11 0.05 0.00 1.11 0.00 0.00 32.58 31.64 1rri s HIS 108 CO -0.02 -0.69 0.70 1.52 -0.85 0.00 0.00 174.74 175.41 1rri s TYR 109 N 1.37 -0.36 0.02 1.40 -0.85 -1.26 -5.07 117.35 112.61 1rri s TYR 109 Ca 0.01 0.05 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 1rri s TYR 109 Cb -0.17 0.62 -0.26 0.00 0.38 0.00 0.00 41.96 42.54 1rri s TYR 109 CO -0.03 -0.96 0.92 -0.44 -1.52 0.00 0.00 175.55 173.52 1rri h ASP 110 N 2.00 0.26 0.00 -0.18 3.32 -1.98 -3.50 116.42 116.34 1rri h ASP 110 Ca -0.26 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1rri h ASP 110 Cb 1.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1rri h ASP 110 CO 0.31 1.30 0.00 0.61 -1.72 0.00 0.00 179.24 179.73 1rri n GLY 111 N 1.58 1.06 3.01 2.75 0.00 -1.26 -4.68 105.19 107.66 1rri n GLY 111 Ca -0.13 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1rri n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rri s VAL 112 N -2.00 0.35 -1.58 1.61 -7.23 -0.17 -4.96 120.40 106.42 1rri s VAL 112 Ca 0.00 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1rri s VAL 112 Cb 0.00 -0.43 0.00 0.00 0.56 0.00 0.00 36.38 36.51 1rri s VAL 112 CO 0.00 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1rri n GLY 113 N 1.71 -0.58 3.17 2.32 0.00 -1.26 0.11 105.19 110.66 1rri n GLY 113 Ca -0.22 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 1rri n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rri s ILE 114 N -3.21 0.12 -0.08 -0.61 -5.25 -0.91 -5.03 121.20 106.23 1rri s ILE 114 Ca 0.00 -1.79 -0.04 0.00 -0.99 0.00 0.00 60.65 57.83 1rri s ILE 114 Cb 0.00 -1.89 0.04 0.00 2.95 0.00 0.00 42.46 43.56 1rri s ILE 114 CO 0.00 -0.55 0.19 -0.70 -1.79 0.00 0.00 174.94 172.10 1rri s GLU 115 N -4.01 0.15 0.10 0.37 2.12 -1.26 -1.39 118.70 114.78 1rri s GLU 115 Ca 0.19 0.44 0.08 0.00 0.36 0.00 0.00 54.97 56.04 1rri s GLU 115 Cb 0.07 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 1rri s GLU 115 CO -0.01 -0.16 -0.20 0.96 -0.54 0.00 0.00 175.26 175.31 1rri s ILE 116 N 1.16 1.61 -0.11 -3.70 -4.36 -0.35 -4.99 121.20 110.46 1rri s ILE 116 Ca -0.09 -1.53 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 1rri s ILE 116 Cb -0.10 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.13 1rri s ILE 116 CO -0.07 -0.11 -0.14 -0.69 0.24 0.00 0.00 174.94 174.17 1rri s VAL 117 N -1.24 1.45 -0.14 8.37 1.01 -1.26 -0.50 120.40 128.09 1rri s VAL 117 Ca 0.06 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1rri s VAL 117 Cb -0.10 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1rri s VAL 117 CO 0.04 0.43 -0.10 -0.13 0.00 0.00 0.00 175.10 175.34 1rri s ARG 118 N 1.12 1.89 0.33 2.72 1.81 0.23 -4.97 118.95 122.08 1rri s ARG 118 Ca -0.04 -0.44 -0.27 0.00 -1.72 0.00 0.00 55.73 53.26 1rri s ARG 118 Cb -0.14 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.37 1rri s ARG 118 CO -0.04 -0.27 1.04 -1.83 -0.68 0.00 0.00 175.30 173.52 1rri s GLU 119 N 1.59 4.47 -0.29 3.54 -1.05 -1.26 0.22 118.70 125.92 1rri s GLU 119 Ca 0.04 1.60 -0.26 0.00 -0.15 0.00 0.00 54.97 56.21 1rri s GLU 119 Cb -0.13 -2.91 0.01 0.00 -0.44 0.00 0.00 34.13 30.66 1rri s GLU 119 CO -0.09 0.12 0.91 1.21 0.95 0.00 0.00 175.26 178.35 1rri s ASN 120 N -1.26 6.82 0.00 0.83 3.84 -0.72 -4.89 114.94 119.56 1rri s ASN 120 Ca 0.50 0.92 0.27 0.00 0.21 0.00 0.00 52.86 54.76 1rri s ASN 120 Cb -0.26 -2.47 0.94 0.00 -0.55 0.00 0.00 41.25 38.91 1rri s ASN 120 CO 0.33 -0.68 1.68 0.29 -2.79 0.00 0.00 177.10 175.93