#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jri n GLU 2 N 0.00 0.00 -3.24 0.03 4.71 -1.26 -4.85 120.64 116.02 2jri n GLU 2 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.16 56.69 2jri n GLU 2 Cb 0.00 -0.02 -0.04 0.00 -1.01 0.00 0.00 31.44 30.37 2jri n GLU 2 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2jri s SER 3 N -1.00 6.45 -0.04 1.62 0.01 -1.26 -5.00 113.70 114.48 2jri s SER 3 Ca 0.00 -2.09 0.01 0.00 1.31 0.00 0.00 55.95 55.18 2jri s SER 3 Cb 0.00 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 64.00 2jri s SER 3 CO 0.00 -0.82 -0.06 -0.63 0.41 0.00 0.00 173.24 172.14 2jri s ILE 4 N 1.37 0.61 -1.16 1.44 1.01 -1.26 -4.00 121.20 119.20 2jri s ILE 4 Ca 0.13 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 2jri s ILE 4 Cb -0.19 -0.61 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 2jri s ILE 4 CO -0.02 0.23 1.89 -0.36 0.00 0.00 0.00 174.94 176.68 2jri s PHE 5 N 0.77 2.09 -0.75 3.97 0.40 -1.26 -4.85 117.98 118.35 2jri s PHE 5 Ca -0.11 0.09 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2jri s PHE 5 Cb -0.14 -4.16 0.19 0.00 0.51 0.00 0.00 43.02 39.43 2jri s PHE 5 CO 0.01 -1.40 0.61 -1.58 0.70 0.00 0.00 175.22 173.56 2jri s HIS 6 N 9.54 3.62 0.19 0.36 2.46 -1.26 -4.87 115.29 125.33 2jri s HIS 6 Ca 0.65 -2.66 -0.06 0.00 0.47 0.00 0.00 55.06 53.46 2jri s HIS 6 Cb -0.01 -3.35 -0.06 0.00 -0.13 0.00 0.00 32.58 29.04 2jri s HIS 6 CO 0.10 -0.85 0.45 -1.21 -2.47 0.00 0.00 174.74 170.76 2jri s GLU 7 N -0.39 3.67 0.01 2.88 0.41 -1.26 -5.10 118.70 118.92 2jri s GLU 7 Ca 0.20 0.03 0.06 0.00 -0.41 0.00 0.00 54.97 54.85 2jri s GLU 7 Cb -0.15 -2.76 -0.02 0.00 -1.78 0.00 0.00 34.13 29.42 2jri s GLU 7 CO -0.07 0.39 -0.19 0.21 -0.49 0.00 0.00 175.26 175.11 2jri s LYS 8 N -2.82 1.45 0.11 1.61 2.47 -1.26 -5.01 119.74 116.29 2jri s LYS 8 Ca 0.43 -0.78 -0.25 0.00 -1.56 0.00 0.00 55.97 53.81 2jri s LYS 8 Cb -0.12 -1.46 0.07 0.00 -1.46 0.00 0.00 37.83 34.87 2jri s LYS 8 CO 0.24 0.39 0.80 1.14 0.16 0.00 0.00 175.35 178.08 2jri s GLN 9 N -0.76 1.16 -0.00 4.03 -2.07 -1.26 -5.16 119.66 115.59 2jri s GLN 9 Ca 0.07 -0.52 -0.28 0.00 -1.82 0.00 0.00 55.36 52.81 2jri s GLN 9 Cb -0.08 0.47 0.07 0.00 -1.09 0.00 0.00 33.01 32.38 2jri s GLN 9 CO 0.00 -0.52 0.64 -2.00 -1.32 0.00 0.00 175.29 172.09 2jri s GLU 10 N -3.43 1.08 0.00 9.60 2.12 -1.26 -4.79 118.70 122.02 2jri s GLU 10 Ca 0.06 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.46 2jri s GLU 10 Cb -0.02 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.88 2jri s GLU 10 CO -0.05 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.71 2jri n GLY 11 N 0.65 -0.30 5.84 -1.50 0.00 -1.26 -4.98 105.19 103.64 2jri n GLY 11 Ca -0.19 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.61 2jri n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jri n SER 12 N -0.43 -5.37 -2.19 1.61 7.64 -1.26 -4.88 113.62 108.73 2jri n SER 12 Ca 0.00 0.26 -0.20 0.00 1.01 0.00 0.00 58.87 59.94 2jri n SER 12 Cb 0.05 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 2jri n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jri n LEU 13 N 0.00 -1.77 -0.02 -3.43 7.99 -0.85 -4.85 117.00 114.07 2jri n LEU 13 Ca 0.00 0.13 0.10 0.00 -0.01 0.00 0.00 56.01 56.23 2jri n LEU 13 Cb 0.11 -2.85 0.51 0.00 -0.11 0.00 0.00 43.42 41.08 2jri n LEU 13 CO 0.00 -0.43 1.17 0.00 -1.51 0.00 0.00 177.39 176.62 2jri h ALA 15 N 1.74 1.52 0.00 0.00 0.00 -1.89 -1.36 119.26 119.28 2jri h ALA 15 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2jri h ALA 15 Cb 0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jri h ALA 15 CO -0.05 0.18 -0.11 0.37 0.00 0.00 0.00 179.25 179.64 2jri h GLN 16 N 0.00 0.00 0.00 0.00 4.15 -1.32 -1.23 115.11 116.71 2jri h GLN 16 Ca -0.00 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.10 2jri h GLN 16 Cb 0.30 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 2jri h GLN 16 CO 0.02 0.11 -2.20 1.58 -1.93 0.00 0.00 178.83 176.41 2jri n HIS 17 N -3.47 0.22 -0.10 3.99 -0.00 -0.60 -3.09 115.22 112.17 2jri n HIS 17 Ca -0.01 0.08 -0.10 0.00 0.46 0.00 0.00 57.72 58.14 2jri n HIS 17 Cb 0.26 -1.01 -0.03 0.00 -0.12 0.00 0.00 29.99 29.10 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri h LEU 19 N 0.32 0.57 -2.74 0.00 4.07 -1.42 -1.76 115.31 114.35 2jri h LEU 19 Ca 0.09 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.67 2jri h LEU 19 Cb 0.32 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2jri h LEU 19 CO 0.00 1.13 -0.00 -1.13 -1.08 0.00 0.00 178.44 177.36 2jri h ASN 20 N 0.32 0.00 0.00 -0.43 -0.73 -1.45 -2.05 115.58 111.23 2jri h ASN 20 Ca -0.04 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.06 2jri h ASN 20 Cb 1.34 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 39.78 2jri h ASN 20 CO 0.13 0.00 -0.66 0.59 -0.37 0.00 0.00 177.43 177.12 2jri n ASN 21 N -3.10 1.34 -0.01 1.15 5.03 -0.79 -3.09 115.26 115.78 2jri n ASN 21 Ca -0.02 -2.91 -0.00 0.00 0.87 0.00 0.00 54.58 52.51 2jri n ASN 21 Cb 0.11 -0.40 -0.00 0.00 -1.02 0.00 0.00 39.78 38.47 2jri n ASN 21 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2jri h LEU 22 N 0.81 -0.01 -3.36 3.41 7.12 -0.56 -3.35 115.31 119.37 2jri h LEU 22 Ca -0.09 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.77 2jri h LEU 22 Cb 1.39 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.46 2jri h LEU 22 CO 0.04 0.14 0.10 0.18 -0.13 0.00 0.00 178.44 178.77 2jri n LEU 23 N -2.86 5.74 0.00 2.25 4.77 -1.26 -4.78 117.00 120.86 2jri n LEU 23 Ca -0.00 -2.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 2jri n LEU 23 Cb 0.01 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 39.95 2jri n LEU 23 CO 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 177.39 177.27 2jri n GLN 24 N 1.24 0.00 -4.62 3.23 6.02 -1.26 -4.59 117.38 117.39 2jri n GLN 24 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.88 2jri n GLN 24 Cb 0.58 -0.28 -0.08 0.00 1.02 0.00 0.00 30.24 31.48 2jri n GLN 24 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2jri s GLY 25 N 0.00 2.75 0.31 1.08 0.00 -1.26 -4.67 107.32 105.53 2jri s GLY 25 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.60 2jri s GLY 25 CO 0.00 -2.00 0.71 1.85 0.00 0.00 0.00 173.10 173.65 2jri s GLU 26 N -3.79 3.97 0.00 2.90 2.56 -1.18 -4.40 118.70 118.76 2jri s GLU 26 Ca 0.17 0.60 0.00 0.00 0.00 0.00 0.00 54.97 55.74 2jri s GLU 26 Cb 0.03 -2.46 0.00 0.00 2.00 0.00 0.00 34.13 33.69 2jri s GLU 26 CO 0.10 0.18 0.00 0.98 -0.56 0.00 0.00 175.26 175.96 2jri n TYR 27 N -0.34 0.00 -0.74 5.30 4.19 -1.26 -5.11 117.16 119.20 2jri n TYR 27 Ca 0.03 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.24 2jri n TYR 27 Cb 0.53 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.36 2jri n TYR 27 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2jri n PHE 28 N -0.10 -1.57 -3.51 2.98 3.72 -1.26 -5.13 117.46 112.58 2jri n PHE 28 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 2jri n PHE 28 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 2jri n PHE 28 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jri s SER 29 N -1.00 -0.57 0.20 4.37 1.04 -1.26 -5.03 113.70 111.45 2jri s SER 29 Ca 0.00 0.49 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 2jri s SER 29 Cb 0.00 0.50 0.19 0.00 0.10 0.00 0.00 66.02 66.81 2jri s SER 29 CO 0.00 -0.62 1.80 -0.65 0.98 0.00 0.00 173.24 174.74 2jri h PRO 30 N 2.68 0.57 0.00 4.02 0.11 -1.99 -1.75 132.00 135.65 2jri h PRO 30 Ca -0.26 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 2jri h PRO 30 Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jri h PRO 30 CO 0.37 0.38 -0.16 -0.39 -0.21 0.00 0.00 178.00 177.99 2jri h VAL 31 N 0.59 0.60 0.00 3.15 -1.51 -2.02 -2.21 116.25 114.85 2jri h VAL 31 Ca 0.26 -0.71 -0.08 0.00 -1.23 0.00 0.00 66.70 64.95 2jri h VAL 31 Cb 0.17 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 2jri h VAL 31 CO -0.17 0.15 -0.36 -0.08 -1.23 0.00 0.00 177.57 175.87 2jri h GLU 32 N 0.00 0.00 -0.57 5.19 4.81 -1.72 -2.76 114.58 119.53 2jri h GLU 32 Ca -0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2jri h GLU 32 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2jri h GLU 32 CO 0.02 0.36 0.38 -0.07 -0.73 0.00 0.00 179.01 178.98 2jri h LEU 33 N 0.00 0.43 0.00 1.64 3.38 -1.29 0.22 115.31 119.68 2jri h LEU 33 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jri h LEU 33 Cb 0.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2jri h LEU 33 CO 0.05 0.27 -0.52 0.28 0.09 0.00 0.00 178.44 178.61 2jri h SER 34 N 0.48 0.00 0.00 -0.43 0.02 -1.64 -2.99 113.55 109.00 2jri h SER 34 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 2jri h SER 34 Cb 0.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2jri h SER 34 CO -0.07 0.02 -0.11 0.28 -1.14 0.00 0.00 176.83 175.80 2jri h SER 35 N 0.00 0.00 0.39 3.07 0.02 -0.78 -2.77 113.55 113.48 2jri h SER 35 Ca -0.00 -0.95 -0.08 0.00 -0.84 0.00 0.00 61.79 59.91 2jri h SER 35 Cb 1.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 2jri h SER 35 CO 0.00 1.04 -0.38 0.16 -1.14 0.00 0.00 176.83 176.52 2jri h ILE 36 N -1.00 1.26 -0.04 3.27 3.07 -0.84 -2.33 117.51 120.90 2jri h ILE 36 Ca -0.03 -1.31 -0.14 0.00 1.55 0.00 0.00 64.86 64.93 2jri h ILE 36 Cb 1.03 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 39.27 2jri h ILE 36 CO -0.02 0.37 -0.60 0.00 -1.05 0.00 0.00 178.15 176.86 2jri h ALA 37 N 1.62 0.92 0.00 0.16 0.00 -1.63 -2.71 119.26 117.62 2jri h ALA 37 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jri h ALA 37 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jri h ALA 37 CO 0.05 0.73 0.00 1.58 0.00 0.00 0.00 179.25 181.61 2jri n HIS 38 N -3.86 0.10 -0.22 0.00 -0.00 -0.91 -3.26 115.22 107.08 2jri n HIS 38 Ca -0.02 0.03 -0.09 0.00 0.46 0.00 0.00 57.72 58.10 2jri n HIS 38 Cb 0.61 -0.55 0.03 0.00 -0.12 0.00 0.00 29.99 29.96 2jri n HIS 38 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 2jri h GLN 39 N 0.00 1.05 -0.45 1.57 1.08 -1.14 0.33 115.11 117.54 2jri h GLN 39 Ca 0.00 -0.31 -0.12 0.00 -1.45 0.00 0.00 58.65 56.78 2jri h GLN 39 Cb 0.50 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 2jri h GLN 39 CO 0.00 1.00 -0.18 -0.07 -0.95 0.00 0.00 178.83 178.63 2jri h LEU 40 N 0.95 0.94 -0.70 1.46 3.38 -1.68 -2.51 115.31 117.15 2jri h LEU 40 Ca 0.18 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2jri h LEU 40 Cb 0.49 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2jri h LEU 40 CO 0.02 1.12 0.37 -0.78 0.09 0.00 0.00 178.44 179.26 2jri h ASP 41 N 0.75 0.89 -0.19 -0.43 1.82 -1.53 0.22 116.42 117.96 2jri h ASP 41 Ca 0.10 -0.11 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2jri h ASP 41 Cb 0.75 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.50 2jri h ASP 41 CO 0.06 0.74 0.00 -0.08 -1.61 0.00 0.00 179.24 178.35 2jri h GLU 42 N 0.97 0.06 -0.14 0.28 4.57 -0.17 0.30 114.58 120.45 2jri h GLU 42 Ca 0.25 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.30 2jri h GLU 42 Cb 0.06 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2jri h GLU 42 CO -0.04 0.04 -0.39 1.49 -1.18 0.00 0.00 179.01 178.93 2jri h GLU 43 N 0.06 0.51 -0.73 1.92 4.81 -1.21 -3.05 114.58 116.89 2jri h GLU 43 Ca 0.09 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2jri h GLU 43 Cb 0.11 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2jri h GLU 43 CO -0.15 0.98 0.34 0.93 -0.73 0.00 0.00 179.01 180.38 2jri h GLU 44 N 0.12 1.04 0.41 1.92 4.39 -0.41 -1.45 114.58 120.61 2jri h GLU 44 Ca -0.01 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2jri h GLU 44 Cb 1.01 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2jri h GLU 44 CO 0.08 0.81 -0.22 0.00 -1.16 0.00 0.00 179.01 178.52 2jri h ARG 45 N 1.03 -0.57 0.00 2.33 3.08 -0.41 0.49 114.38 120.34 2jri h ARG 45 Ca 0.25 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.30 2jri h ARG 45 Cb 0.12 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2jri h ARG 45 CO -0.03 -0.38 -0.20 0.00 -1.07 0.00 0.00 179.97 178.29 2jri h MET 46 N -0.59 0.00 -0.02 0.04 -0.00 -1.42 0.83 114.93 113.77 2jri h MET 46 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.63 2jri h MET 46 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2jri h MET 46 CO 0.08 0.20 -0.07 -0.09 -0.00 0.00 0.00 176.91 177.02 2jri h ARG 47 N 0.00 0.09 0.00 -0.10 2.43 -0.78 -3.08 114.38 112.93 2jri h ARG 47 Ca -0.00 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2jri h ARG 47 Cb 0.38 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2jri h ARG 47 CO 0.03 0.69 -0.03 0.52 -1.51 0.00 0.00 179.97 179.67 2jri h MET 48 N -0.50 0.00 -0.35 0.20 2.86 0.26 0.48 114.93 117.89 2jri h MET 48 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2jri h MET 48 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 2jri h MET 48 CO 0.02 0.03 -0.17 0.00 1.06 0.00 0.00 176.91 177.85 2jri h ALA 49 N 1.97 0.49 0.13 6.32 0.00 -0.82 -2.00 119.26 125.35 2jri h ALA 49 Ca -0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.32 2jri h ALA 49 Cb 0.56 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jri h ALA 49 CO 0.00 0.41 -1.16 0.93 0.00 0.00 0.00 179.25 179.44 2jri h GLU 50 N 0.51 0.28 -1.51 0.00 5.08 -1.42 -3.34 114.58 114.17 2jri h GLU 50 Ca 0.08 -0.47 -0.53 0.00 -1.00 0.00 0.00 59.36 57.43 2jri h GLU 50 Cb 0.70 0.18 -0.21 0.00 0.50 0.00 0.00 28.75 29.92 2jri h GLU 50 CO 0.05 1.23 0.65 0.41 -1.00 0.00 0.00 179.01 180.34 2jri n GLY 51 N 1.71 4.91 3.63 -3.84 0.00 0.14 -4.94 105.19 106.79 2jri n GLY 51 Ca -0.20 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2jri n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jri s GLY 52 N -0.60 1.41 -0.13 -0.02 0.00 -0.75 -4.79 107.32 102.44 2jri s GLY 52 Ca 0.50 0.17 -0.08 0.00 0.00 0.00 0.00 44.72 45.31 2jri s GLY 52 CO -0.10 2.60 0.33 -0.62 0.00 0.00 0.00 173.10 175.31 2jri n VAL 53 N 6.12 1.75 -4.01 1.40 0.31 -1.26 -5.01 118.33 117.63 2jri n VAL 53 Ca 0.15 -0.59 -0.01 0.00 -0.01 0.00 0.00 64.34 63.88 2jri n VAL 53 Cb 0.46 -1.76 -0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2jri n VAL 53 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2jri n THR 54 N -3.57 0.00 0.11 2.52 -2.24 -1.26 -5.05 114.28 104.79 2jri n THR 54 Ca -0.32 -0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 2jri n THR 54 Cb 1.01 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.25 2jri n THR 54 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jri h SER 55 N 0.03 0.00 0.53 3.42 0.02 -2.01 -3.27 113.55 112.27 2jri h SER 55 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2jri h SER 55 Cb 0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 2jri h SER 55 CO 0.01 0.51 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.75 2jri h GLU 56 N 0.00 0.00 0.22 3.45 3.07 -1.98 -3.09 114.58 116.25 2jri h GLU 56 Ca -0.05 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2jri h GLU 56 Cb 1.43 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.31 2jri h GLU 56 CO 0.06 0.13 -0.35 -0.44 -1.40 0.00 0.00 179.01 177.01 2jri h ASP 57 N 0.00 -0.99 -0.24 1.42 5.19 -1.93 0.34 116.42 120.21 2jri h ASP 57 Ca -0.00 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 2jri h ASP 57 Cb 0.43 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2jri h ASP 57 CO 0.02 -0.46 0.03 0.00 -3.12 0.00 0.00 179.24 175.71 2jri n TYR 58 N -5.44 0.84 0.02 4.55 0.18 -1.17 -2.65 117.16 113.49 2jri n TYR 58 Ca -0.08 -0.37 0.00 0.00 1.88 0.00 0.00 57.90 59.33 2jri n TYR 58 Cb 0.35 -0.29 0.00 0.00 -0.38 0.00 0.00 39.34 39.02 2jri n TYR 58 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2jri n ARG 59 N 0.19 0.00 0.13 -3.48 0.00 -0.57 -4.50 116.66 108.43 2jri n ARG 59 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.95 2jri n ARG 59 Cb 0.65 -0.15 0.14 0.00 0.00 0.00 0.00 32.46 33.10 2jri n ARG 59 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2jri h THR 60 N 0.00 1.45 -0.06 5.15 2.02 -0.54 -2.80 112.91 118.14 2jri h THR 60 Ca 0.00 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.91 2jri h THR 60 Cb 0.00 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2jri h THR 60 CO 0.00 0.64 0.00 0.49 0.37 0.00 0.00 175.52 177.02 2jri n PHE 61 N -3.73 0.05 -0.03 3.16 3.01 -1.08 -3.38 117.46 115.46 2jri n PHE 61 Ca -0.01 -0.02 -0.08 0.00 1.01 0.00 0.00 57.45 58.35 2jri n PHE 61 Cb 0.66 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.99 2jri n PHE 61 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2jri n LEU 62 N 0.70 0.71 -3.47 4.37 7.94 -1.08 -4.32 117.00 121.86 2jri n LEU 62 Ca 0.17 0.34 -0.27 0.00 -1.11 0.00 0.00 56.01 55.14 2jri n LEU 62 Cb 0.46 0.22 -0.10 0.00 0.53 0.00 0.00 43.42 44.53 2jri n LEU 62 CO 0.16 0.39 -0.22 0.00 -1.11 0.00 0.00 177.39 176.60 2jri n GLN 63 N -2.98 0.82 -2.88 1.96 6.02 -1.10 -5.04 117.38 114.19 2jri n GLN 63 Ca -0.19 -3.59 -0.42 0.00 -0.01 0.00 0.00 57.00 52.79 2jri n GLN 63 Cb 1.05 -1.77 -0.04 0.00 1.02 0.00 0.00 30.24 30.50 2jri n GLN 63 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2jri s GLN 64 N -0.70 3.81 0.57 -1.09 2.00 -1.22 -4.82 119.66 118.22 2jri s GLN 64 Ca 0.32 0.47 -0.19 0.00 -2.00 0.00 0.00 55.36 53.97 2jri s GLN 64 Cb 0.06 -3.80 -0.07 0.00 0.80 0.00 0.00 33.01 30.00 2jri s GLN 64 CO -0.16 -0.89 0.80 -2.30 -0.50 0.00 0.00 175.29 172.24 2jri n PRO 65 N 6.58 0.78 0.00 1.67 -0.02 -1.26 -1.93 135.00 140.82 2jri n PRO 65 Ca 0.05 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2jri n PRO 65 Cb 0.48 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2jri n PRO 65 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jri n SER 66 N -0.19 0.00 0.02 2.55 7.64 -1.18 -4.53 113.62 117.93 2jri n SER 66 Ca 0.13 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.96 2jri n SER 66 Cb 0.47 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.82 2jri n SER 66 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jri h GLY 67 N 0.00 0.50 -4.90 0.23 0.00 -1.65 -3.03 103.07 94.22 2jri h GLY 67 Ca 0.00 -0.47 -0.69 0.00 0.00 0.00 0.00 47.33 46.17 2jri h GLY 67 CO 0.00 0.43 0.24 1.16 0.00 0.00 0.00 176.54 178.36 2jri n ASN 68 N -4.04 6.20 -0.00 0.19 6.94 -0.93 -2.15 115.26 121.46 2jri n ASN 68 Ca -0.01 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 50.77 2jri n ASN 68 Cb 0.48 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 2jri n ASN 68 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 2jri n MET 69 N -0.47 0.00 -3.05 -3.83 0.00 -1.14 -4.99 117.12 103.64 2jri n MET 69 Ca 0.46 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.87 2jri n MET 69 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.61 2jri n MET 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2jri s ASP 70 N -0.88 6.48 -0.02 6.12 2.15 -1.25 -3.08 116.67 126.19 2jri s ASP 70 Ca 0.00 0.95 -0.22 0.00 0.43 0.00 0.00 52.55 53.70 2jri s ASP 70 Cb 0.00 -2.24 -0.22 0.00 -0.30 0.00 0.00 42.92 40.15 2jri s ASP 70 CO 0.00 -0.32 1.10 -0.78 -0.17 0.00 0.00 175.17 175.00 2jri h ASP 71 N 1.39 0.34 0.28 -0.34 1.82 -1.95 -3.36 116.42 114.60 2jri h ASP 71 Ca -0.47 -0.73 -0.33 0.00 -0.39 0.00 0.00 57.03 55.11 2jri h ASP 71 Cb 1.19 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 41.05 2jri h ASP 71 CO 0.65 1.02 -1.93 -1.20 -1.61 0.00 0.00 179.24 176.17 2jri n SER 72 N -4.42 1.34 0.00 2.28 7.64 -1.26 -4.99 113.62 114.21 2jri n SER 72 Ca -0.09 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2jri n SER 72 Cb 0.54 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 1.79 1.73 3.18 0.23 0.00 -1.26 -4.33 105.19 106.53 2jri n GLY 73 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2jri n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jri s PHE 74 N -2.00 1.86 0.01 1.61 5.36 -1.26 -2.01 117.98 121.54 2jri s PHE 74 Ca 0.00 -0.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.53 2jri s PHE 74 Cb 0.00 -1.23 -0.02 0.00 -0.34 0.00 0.00 43.02 41.43 2jri s PHE 74 CO 0.00 -0.14 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.39 2jri s PHE 75 N -0.12 1.45 0.00 10.12 0.40 -1.26 -4.85 117.98 123.71 2jri s PHE 75 Ca -0.01 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 2jri s PHE 75 Cb -0.11 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.51 2jri s PHE 75 CO 0.02 0.01 0.00 -1.13 0.70 0.00 0.00 175.22 174.82 2jri n SER 76 N 2.38 0.00 0.12 1.36 3.41 -1.26 -4.84 113.62 114.78 2jri n SER 76 Ca -0.16 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.55 2jri n SER 76 Cb 0.54 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.94 2jri n SER 76 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2jri n ILE 77 N 0.00 1.12 -0.05 -1.33 -5.35 -1.26 -2.52 119.36 109.97 2jri n ILE 77 Ca 0.00 0.51 0.17 0.00 -0.27 0.00 0.00 62.75 63.16 2jri n ILE 77 Cb 0.00 -1.47 0.61 0.00 -1.74 0.00 0.00 39.64 37.04 2jri n ILE 77 CO 0.00 0.00 0.00 0.06 -1.76 0.00 0.00 176.55 174.85 2jri h GLN 78 N 0.00 0.17 0.00 6.28 3.07 -1.99 -0.40 115.11 122.24 2jri h GLN 78 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2jri h GLN 78 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.65 2jri h GLN 78 CO 0.00 0.11 -1.94 1.33 0.09 0.00 0.00 178.83 178.42 2jri n VAL 79 N -4.42 0.03 -0.00 1.86 0.24 -1.05 -3.93 118.33 111.06 2jri n VAL 79 Ca 0.11 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.80 2jri n VAL 79 Cb 0.53 -0.01 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 2jri n VAL 79 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jri h ILE 80 N 0.00 1.11 -0.30 1.34 1.08 -1.33 -0.65 117.51 118.76 2jri h ILE 80 Ca 0.00 -1.46 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 2jri h ILE 80 Cb 1.00 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 36.68 2jri h ILE 80 CO 0.00 0.32 0.08 0.28 -0.69 0.00 0.00 178.15 178.14 2jri h SER 81 N -0.86 0.39 0.27 1.72 0.02 -1.35 -2.65 113.55 111.09 2jri h SER 81 Ca -0.01 -0.04 -0.29 0.00 -0.84 0.00 0.00 61.79 60.61 2jri h SER 81 Cb 0.60 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 63.06 2jri h SER 81 CO 0.02 0.39 -1.22 -1.13 -1.14 0.00 0.00 176.83 173.75 2jri h ASN 82 N 0.43 0.73 -0.15 3.07 -1.24 -1.68 -2.56 115.58 114.18 2jri h ASN 82 Ca 0.10 -0.69 0.03 0.00 0.71 0.00 0.00 56.30 56.45 2jri h ASN 82 Cb 0.15 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 2jri h ASN 82 CO -0.01 1.51 -0.01 0.00 -1.29 0.00 0.00 177.43 177.63 2jri h ALA 83 N 0.41 0.12 -0.07 1.57 0.00 -0.77 -1.06 119.26 119.46 2jri h ALA 83 Ca -0.17 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2jri h ALA 83 Cb 1.89 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2jri h ALA 83 CO 0.22 -0.46 -0.61 -0.07 0.00 0.00 0.00 179.25 178.34 2jri h LEU 84 N 0.04 0.29 -0.49 0.00 -0.00 -1.61 -3.22 115.31 110.32 2jri h LEU 84 Ca 0.07 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 2jri h LEU 84 Cb 0.09 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2jri h LEU 84 CO -0.13 0.83 0.30 0.50 -0.00 0.00 0.00 178.44 179.94 2jri h LYS 85 N 0.19 0.67 0.00 1.13 3.64 -0.98 0.30 116.57 121.52 2jri h LYS 85 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2jri h LYS 85 Cb 1.11 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2jri h LYS 85 CO 0.09 0.48 0.00 -0.39 -2.27 0.00 0.00 179.45 177.36 2jri h VAL 86 N 0.66 0.00 0.00 2.00 -1.51 -1.22 -2.62 116.25 113.56 2jri h VAL 86 Ca 0.18 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2jri h VAL 86 Cb -0.02 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2jri h VAL 86 CO -0.03 0.00 -1.20 0.79 -1.23 0.00 0.00 177.57 175.89 2jri n TRP 87 N -2.75 0.41 0.00 5.19 7.02 -0.85 -4.97 117.44 121.48 2jri n TRP 87 Ca 0.02 0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.61 2jri n TRP 87 Cb 0.30 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 28.60 2jri n TRP 87 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jri n GLY 88 N 1.30 1.36 3.63 6.99 0.00 -0.46 -5.11 105.19 112.90 2jri n GLY 88 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2jri n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jri s LEU 89 N 0.00 3.21 0.10 0.99 2.01 0.93 -4.85 118.68 121.07 2jri s LEU 89 Ca 0.00 -0.37 0.05 0.00 0.01 0.00 0.00 54.13 53.82 2jri s LEU 89 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 44.23 2jri s LEU 89 CO 0.00 0.14 -0.01 -0.70 1.01 0.00 0.00 176.35 176.79 2jri s GLU 90 N -2.57 2.48 -0.23 1.70 2.56 -0.82 -3.37 118.70 118.45 2jri s GLU 90 Ca 0.25 -0.89 -0.06 0.00 0.00 0.00 0.00 54.97 54.27 2jri s GLU 90 Cb -0.10 -2.49 -0.02 0.00 2.00 0.00 0.00 34.13 33.51 2jri s GLU 90 CO 0.17 0.53 0.01 -1.17 -0.56 0.00 0.00 175.26 174.23 2jri s LEU 91 N -2.38 3.20 -0.08 2.70 2.96 -1.26 -0.32 118.68 123.51 2jri s LEU 91 Ca 0.25 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2jri s LEU 91 Cb -0.11 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 2jri s LEU 91 CO 0.18 -0.01 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.47 2jri s ILE 92 N 1.42 3.35 -0.34 6.68 -1.09 0.17 -4.92 121.20 126.46 2jri s ILE 92 Ca 0.05 -0.60 -0.25 0.00 -2.23 0.00 0.00 60.65 57.63 2jri s ILE 92 Cb -0.15 -2.37 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 2jri s ILE 92 CO 0.01 0.57 0.86 -0.76 -1.23 0.00 0.00 174.94 174.39 2jri s LEU 93 N -0.42 4.05 0.00 2.97 2.01 -1.26 -0.16 118.68 125.87 2jri s LEU 93 Ca 0.05 0.60 0.24 0.00 0.01 0.00 0.00 54.13 55.03 2jri s LEU 93 Cb -0.12 -3.17 0.22 0.00 0.01 0.00 0.00 46.19 43.13 2jri s LEU 93 CO 0.02 -0.75 1.27 0.33 1.01 0.00 0.00 176.35 178.24 2jri n PHE 94 N 6.51 0.07 -0.09 0.29 7.35 -0.08 -3.60 117.46 127.90 2jri n PHE 94 Ca 0.05 -0.04 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 2jri n PHE 94 Cb 0.48 -0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.18 2jri n PHE 94 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 2jri n ASN 95 N 1.36 0.95 -4.67 -2.13 6.94 -1.26 -4.57 115.26 111.87 2jri n ASN 95 Ca 0.15 -0.03 -0.43 0.00 -0.02 0.00 0.00 54.58 54.25 2jri n ASN 95 Cb 0.60 0.65 -0.02 0.00 -2.36 0.00 0.00 39.78 38.64 2jri n ASN 95 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2jri s SER 96 N -5.43 6.99 0.41 0.53 0.01 -1.26 -4.85 113.70 110.11 2jri s SER 96 Ca -0.14 1.76 0.19 0.00 1.31 0.00 0.00 55.95 59.07 2jri s SER 96 Cb 0.06 -2.55 1.13 0.00 0.21 0.00 0.00 66.02 64.87 2jri s SER 96 CO 0.69 -0.67 1.80 -0.65 0.41 0.00 0.00 173.24 174.81 2jri h PRO 97 N 7.83 0.36 0.00 12.44 0.11 -1.92 0.55 132.00 151.37 2jri h PRO 97 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jri h PRO 97 Cb 1.13 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2jri h PRO 97 CO 0.93 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 178.10 2jri n GLU 98 N -4.56 0.15 0.00 1.05 0.28 -1.26 -3.08 120.64 113.21 2jri n GLU 98 Ca 0.24 0.52 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 2jri n GLU 98 Cb 0.85 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.85 2jri n GLU 98 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2jri n TYR 99 N -2.17 0.00 0.13 -1.84 4.01 0.34 -4.72 117.16 112.92 2jri n TYR 99 Ca 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.94 2jri n TYR 99 Cb 0.12 0.00 0.76 0.00 -0.31 0.00 0.00 39.34 39.92 2jri n TYR 99 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2jri h GLN 100 N 0.00 0.00 0.00 -0.72 4.15 -0.06 -1.41 115.11 117.08 2jri h GLN 100 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jri h GLN 100 Cb 0.80 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2jri h GLN 100 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 178.83 179.79 2jri n ARG 101 N -3.64 0.09 0.17 1.69 1.85 -1.18 -1.98 116.66 113.66 2jri n ARG 101 Ca 0.06 0.59 0.04 0.00 -1.00 0.00 0.00 57.85 57.53 2jri n ARG 101 Cb 0.55 -1.79 0.44 0.00 -1.05 0.00 0.00 32.46 30.62 2jri n ARG 101 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2jri h LEU 102 N 0.00 0.12 -3.12 2.89 8.10 -1.59 -3.47 115.31 118.24 2jri h LEU 102 Ca 0.00 -0.02 -0.30 0.00 0.11 0.00 0.00 57.88 57.67 2jri h LEU 102 Cb 0.00 -0.03 0.02 0.00 -0.44 0.00 0.00 40.66 40.21 2jri h LEU 102 CO 0.00 0.28 -0.65 0.54 -4.11 0.00 0.00 178.44 174.50 2jri n ARG 103 N -4.30 -1.38 -3.96 0.17 5.12 -0.84 -4.98 116.66 106.49 2jri n ARG 103 Ca -0.01 0.96 -0.35 0.00 -1.93 0.00 0.00 57.85 56.52 2jri n ARG 103 Cb 0.25 -3.99 -0.13 0.00 -1.16 0.00 0.00 32.46 27.43 2jri n ARG 103 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jri s ILE 104 N -3.10 3.64 -0.48 0.55 1.01 -1.26 -5.04 121.20 116.51 2jri s ILE 104 Ca 0.11 -0.41 -0.44 0.00 0.00 0.00 0.00 60.65 59.91 2jri s ILE 104 Cb -0.04 -2.66 -0.19 0.00 0.01 0.00 0.00 42.46 39.58 2jri s ILE 104 CO 0.83 0.42 1.96 -0.67 0.00 0.00 0.00 174.94 177.48 2jri n ASP 105 N 4.63 1.02 0.31 3.58 2.03 -1.26 -4.81 116.55 122.04 2jri n ASP 105 Ca -0.18 0.84 0.20 0.00 0.52 0.00 0.00 54.79 56.17 2jri n ASP 105 Cb 0.51 -0.92 0.95 0.00 -0.72 0.00 0.00 41.12 40.94 2jri n ASP 105 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jri h PRO 106 N 7.89 0.00 0.00 -0.67 0.13 -1.96 -1.56 132.00 135.82 2jri h PRO 106 Ca -0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 2jri h PRO 106 Cb 1.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 2jri h PRO 106 CO 1.05 0.00 -0.12 0.82 -0.23 0.00 0.00 178.00 179.51 2jri h ILE 107 N 0.00 0.28 0.00 -3.56 2.04 -1.93 -2.65 117.51 111.70 2jri h ILE 107 Ca 0.00 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 2jri h ILE 107 Cb 0.26 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2jri h ILE 107 CO 0.00 0.12 -0.45 -1.13 0.00 0.00 0.00 178.15 176.69 2jri h ASN 108 N 0.00 0.00 -3.53 1.72 -1.24 -1.65 -3.47 115.58 107.41 2jri h ASN 108 Ca -0.00 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.59 2jri h ASN 108 Cb 0.74 0.00 0.19 0.00 0.73 0.00 0.00 38.32 39.98 2jri h ASN 108 CO 0.02 0.17 0.15 -1.61 -1.29 0.00 0.00 177.43 174.86 2jri s GLU 109 N -3.16 -1.12 -0.17 6.67 0.41 -1.00 -5.05 118.70 115.29 2jri s GLU 109 Ca 0.04 -0.10 -0.16 0.00 -0.41 0.00 0.00 54.97 54.34 2jri s GLU 109 Cb 0.07 -1.61 -0.06 0.00 -1.78 0.00 0.00 34.13 30.75 2jri s GLU 109 CO 0.72 -3.64 -0.32 0.54 -0.49 0.00 0.00 175.26 172.07 2jri n ARG 110 N -4.70 0.49 -3.63 1.61 5.12 -1.26 -4.86 116.66 109.44 2jri n ARG 110 Ca 0.13 0.20 -0.16 0.00 -1.93 0.00 0.00 57.85 56.09 2jri n ARG 110 Cb 0.59 -1.36 -0.07 0.00 -1.16 0.00 0.00 32.46 30.46 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2jri s SER 111 N -6.06 -0.45 -0.05 0.55 0.01 -1.26 -1.16 113.70 105.27 2jri s SER 111 Ca -0.28 0.45 -0.10 0.00 1.31 0.00 0.00 55.95 57.33 2jri s SER 111 Cb 0.05 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.75 2jri s SER 111 CO 0.40 -0.53 0.25 0.72 0.41 0.00 0.00 173.24 174.49 2jri s PHE 112 N -1.22 -0.18 -0.12 2.43 -0.71 -0.44 -0.81 117.98 116.93 2jri s PHE 112 Ca -0.12 0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 56.14 2jri s PHE 112 Cb -0.02 0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2jri s PHE 112 CO 0.07 -0.25 -0.07 0.42 -1.34 0.00 0.00 175.22 174.05 2jri s ILE 113 N -0.65 3.59 -0.15 -4.49 -1.09 -0.11 -2.46 121.20 115.84 2jri s ILE 113 Ca -0.07 -0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 57.80 2jri s ILE 113 Cb -0.04 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 2jri s ILE 113 CO 0.02 0.53 0.05 0.00 -1.23 0.00 0.00 174.94 174.31 2jri s ASN 115 N -0.09 2.87 -0.11 0.00 3.84 0.29 0.15 114.94 121.88 2jri s ASN 115 Ca 0.06 -0.52 0.15 0.00 0.21 0.00 0.00 52.86 52.76 2jri s ASN 115 Cb -0.12 -1.31 0.24 0.00 -0.55 0.00 0.00 41.25 39.51 2jri s ASN 115 CO 0.01 0.13 1.12 0.00 -2.79 0.00 0.00 177.10 175.57 2jri n TYR 116 N 3.66 0.00 0.00 0.43 9.36 0.42 0.38 117.16 131.41 2jri n TYR 116 Ca -0.20 -0.82 0.00 0.00 3.32 0.00 0.00 57.90 60.20 2jri n TYR 116 Cb 0.53 -0.14 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 2jri n TYR 116 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2jri n LYS 117 N -1.12 0.00 0.07 2.98 5.02 -1.26 -4.18 118.16 119.66 2jri n LYS 117 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2jri n LYS 117 Cb 0.66 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 36.11 2jri n LYS 117 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jri n GLU 118 N 0.00 0.18 -3.49 1.97 0.28 -1.26 -4.88 120.64 113.45 2jri n GLU 118 Ca 0.00 0.14 -0.14 0.00 -0.16 0.00 0.00 57.16 57.00 2jri n GLU 118 Cb 0.00 -1.70 -0.04 0.00 1.43 0.00 0.00 31.44 31.13 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2jri s HIS 119 N -3.08 -0.56 -0.02 -1.84 3.76 -1.26 -5.17 115.29 107.13 2jri s HIS 119 Ca 0.11 0.71 0.04 0.00 -0.15 0.00 0.00 55.06 55.77 2jri s HIS 119 Cb 0.14 0.48 -0.01 0.00 1.11 0.00 0.00 32.58 34.31 2jri s HIS 119 CO 0.59 -0.66 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.13 2jri s TRP 120 N -2.26 1.12 -0.23 1.40 0.52 -1.26 -0.43 118.94 117.80 2jri s TRP 120 Ca -0.04 -0.23 -0.07 0.00 0.02 0.00 0.00 56.10 55.77 2jri s TRP 120 Cb -0.00 -0.74 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 2jri s TRP 120 CO -0.01 -0.05 0.07 -0.06 0.02 0.00 0.00 176.95 176.93 2jri s PHE 121 N -0.17 3.14 -0.73 -1.98 0.08 0.12 -4.92 117.98 113.53 2jri s PHE 121 Ca 0.03 -0.21 -0.18 0.00 0.12 0.00 0.00 56.93 56.69 2jri s PHE 121 Cb -0.06 -2.19 0.14 0.00 -0.57 0.00 0.00 43.02 40.34 2jri s PHE 121 CO -0.00 -0.16 0.81 0.99 -0.10 0.00 0.00 175.22 176.76 2jri s THR 122 N 1.17 4.99 -0.14 0.64 2.01 -1.20 -1.18 115.64 121.93 2jri s THR 122 Ca 0.05 -1.49 -0.03 0.00 0.31 0.00 0.00 61.69 60.52 2jri s THR 122 Cb -0.14 -4.55 -0.03 0.00 0.01 0.00 0.00 72.50 67.79 2jri s THR 122 CO 0.03 -1.19 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.04 2jri s VAL 123 N 2.07 3.86 -0.00 3.82 1.01 -1.03 -0.96 120.40 129.17 2jri s VAL 123 Ca 0.18 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2jri s VAL 123 Cb -0.16 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2jri s VAL 123 CO -0.01 0.51 0.17 0.00 0.00 0.00 0.00 175.10 175.77 2jri s ARG 124 N 0.21 0.51 0.09 2.72 1.70 -0.08 -1.33 118.95 122.76 2jri s ARG 124 Ca -0.02 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.59 2jri s ARG 124 Cb -0.14 0.21 -0.06 0.00 -0.57 0.00 0.00 34.95 34.39 2jri s ARG 124 CO 0.03 -0.12 1.19 0.21 -1.08 0.00 0.00 175.30 175.52 2jri s LYS 125 N -1.32 4.46 -0.09 3.89 2.36 -0.31 -0.54 119.74 128.19 2jri s LYS 125 Ca -0.14 1.78 -0.00 0.00 -2.55 0.00 0.00 55.97 55.06 2jri s LYS 125 Cb -0.07 -3.32 0.02 0.00 -1.05 0.00 0.00 37.83 33.41 2jri s LYS 125 CO 0.02 -0.19 -0.06 -0.51 1.55 0.00 0.00 175.35 176.15 2jri s LEU 126 N 0.70 1.12 0.00 5.43 2.01 0.10 -4.90 118.68 123.14 2jri s LEU 126 Ca 0.57 -0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.47 2jri s LEU 126 Cb -0.30 -0.72 0.00 0.00 0.01 0.00 0.00 46.19 45.18 2jri s LEU 126 CO 0.31 -0.11 0.00 0.61 1.01 0.00 0.00 176.35 178.17 2jri n GLY 127 N 4.78 0.22 0.01 -3.19 0.00 -1.21 -0.53 105.19 105.27 2jri n GLY 127 Ca -0.14 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2jri n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jri n LYS 128 N 0.00 0.80 -3.91 1.61 2.85 -1.26 -4.80 118.16 113.44 2jri n LYS 128 Ca 0.00 -0.78 -0.20 0.00 -1.05 0.00 0.00 58.31 56.28 2jri n LYS 128 Cb 0.00 -0.64 -0.06 0.00 -0.65 0.00 0.00 35.03 33.69 2jri n LYS 128 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2jri n GLN 129 N -0.14 0.62 -5.23 -1.58 1.13 0.31 -4.89 117.38 107.60 2jri n GLN 129 Ca 0.00 -2.76 -0.32 0.00 -1.94 0.00 0.00 57.00 51.99 2jri n GLN 129 Cb 0.44 1.56 -0.16 0.00 0.11 0.00 0.00 30.24 32.18 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2jri s TRP 130 N -2.80 2.47 -0.07 1.08 0.52 -0.97 0.00 118.94 119.17 2jri s TRP 130 Ca 0.18 -0.72 0.05 0.00 0.02 0.00 0.00 56.10 55.62 2jri s TRP 130 Cb 0.01 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.70 2jri s TRP 130 CO 0.13 -0.22 -0.23 -0.06 0.02 0.00 0.00 176.95 176.59 2jri s PHE 131 N -0.13 2.51 -0.18 -1.98 0.40 0.30 -0.32 117.98 118.58 2jri s PHE 131 Ca -0.04 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.57 2jri s PHE 131 Cb -0.14 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.74 2jri s PHE 131 CO 0.04 -0.20 -0.08 1.21 0.70 0.00 0.00 175.22 176.89 2jri s ASN 132 N -0.11 4.24 0.10 1.36 2.47 -1.18 -0.91 114.94 120.91 2jri s ASN 132 Ca -0.05 -0.33 -0.00 0.00 0.42 0.00 0.00 52.86 52.90 2jri s ASN 132 Cb -0.14 -1.69 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 2jri s ASN 132 CO 0.04 0.08 0.01 -0.76 -3.72 0.00 0.00 177.10 172.75 2jri s LEU 133 N 0.88 2.13 0.00 3.21 1.43 -0.13 -2.32 118.68 123.87 2jri s LEU 133 Ca -0.02 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 51.94 2jri s LEU 133 Cb -0.15 0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.27 2jri s LEU 133 CO 0.01 -0.64 0.12 0.59 0.23 0.00 0.00 176.35 176.65 2jri n ASN 134 N -0.03 -0.32 0.11 2.29 3.02 -1.24 -3.21 115.26 115.88 2jri n ASN 134 Ca -0.09 -1.22 0.12 0.00 -0.03 0.00 0.00 54.58 53.36 2jri n ASN 134 Cb 0.62 0.53 0.07 0.00 -0.61 0.00 0.00 39.78 40.40 2jri n ASN 134 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2jri h SER 135 N 0.29 0.00 -0.47 6.41 0.02 -1.93 -3.26 113.55 114.61 2jri h SER 135 Ca -0.05 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 2jri h SER 135 Cb 0.18 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.64 2jri h SER 135 CO 0.06 0.03 0.09 -0.11 -1.14 0.00 0.00 176.83 175.76 2jri n LEU 136 N -2.58 4.80 -3.40 5.07 7.94 -1.26 -4.77 117.00 122.79 2jri n LEU 136 Ca 0.01 -3.28 -0.14 0.00 -1.11 0.00 0.00 56.01 51.49 2jri n LEU 136 Cb 0.52 -0.65 -0.10 0.00 0.53 0.00 0.00 43.42 43.73 2jri n LEU 136 CO 0.38 0.87 -0.14 -0.76 -1.11 0.00 0.00 177.39 176.63 2jri s LEU 137 N -3.00 -0.37 0.16 -1.96 1.43 -1.23 -4.99 118.68 108.72 2jri s LEU 137 Ca 0.48 -0.33 0.23 0.00 -1.03 0.00 0.00 54.13 53.48 2jri s LEU 137 Cb 0.40 0.70 0.08 0.00 0.03 0.00 0.00 46.19 47.39 2jri s LEU 137 CO 0.08 -0.35 1.10 1.07 0.23 0.00 0.00 176.35 178.48 2jri n THR 138 N 5.33 0.49 -3.58 5.49 5.66 -1.26 -3.62 114.28 122.78 2jri n THR 138 Ca -0.03 -0.44 -0.40 0.00 -3.05 0.00 0.00 64.05 60.13 2jri n THR 138 Cb 0.48 -0.21 -0.11 0.00 -1.55 0.00 0.00 70.33 68.94 2jri n THR 138 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2jri s GLY 139 N -4.11 1.93 -0.42 1.09 0.00 -1.26 -5.04 107.32 99.51 2jri s GLY 139 Ca 0.01 -1.44 -0.28 0.00 0.00 0.00 0.00 44.72 43.02 2jri s GLY 139 CO 0.78 0.76 1.92 -4.14 0.00 0.00 0.00 173.10 172.42 2jri s PRO 140 N 1.66 2.97 -0.49 2.90 0.02 -1.26 -4.88 135.00 135.91 2jri s PRO 140 Ca 0.05 1.22 -0.26 0.00 0.02 0.00 0.00 61.00 62.03 2jri s PRO 140 Cb -0.18 -4.31 -0.06 0.00 0.02 0.00 0.00 34.50 29.97 2jri s PRO 140 CO 0.08 -2.30 2.33 -1.21 -0.33 0.00 0.00 177.00 175.57 2jri s GLU 141 N 6.42 2.21 -0.23 5.54 2.02 -0.98 -4.77 118.70 128.91 2jri s GLU 141 Ca 0.79 1.33 -0.28 0.00 0.02 0.00 0.00 54.97 56.84 2jri s GLU 141 Cb -0.20 -4.55 -0.04 0.00 0.10 0.00 0.00 34.13 29.44 2jri s GLU 141 CO 0.29 -3.16 2.09 -0.51 0.02 0.00 0.00 175.26 173.99 2jri s LEU 142 N 11.64 3.52 -0.32 1.80 1.43 -1.26 -3.12 118.68 132.38 2jri s LEU 142 Ca 0.94 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 2jri s LEU 142 Cb -0.17 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 2jri s LEU 142 CO 0.26 -1.83 0.21 -0.63 0.23 0.00 0.00 176.35 174.58 2jri s ILE 143 N 7.67 5.14 0.71 -0.59 1.01 0.56 -5.00 121.20 130.70 2jri s ILE 143 Ca 0.94 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 61.31 2jri s ILE 143 Cb -0.31 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2jri s ILE 143 CO 0.35 0.07 1.07 -0.44 0.00 0.00 0.00 174.94 175.98 2jri s SER 144 N 1.71 5.21 0.16 3.58 0.01 -1.26 -2.30 113.70 120.81 2jri s SER 144 Ca 0.06 1.62 -0.16 0.00 1.31 0.00 0.00 55.95 58.78 2jri s SER 144 Cb -0.17 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.64 2jri s SER 144 CO 0.10 -1.55 1.80 -2.24 0.41 0.00 0.00 173.24 171.76 2jri h ASP 145 N -0.79 0.41 0.76 2.44 2.03 -1.98 0.17 116.42 119.46 2jri h ASP 145 Ca -0.44 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 55.76 2jri h ASP 145 Cb 1.22 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 2jri h ASP 145 CO 0.56 0.30 -0.49 0.74 -1.03 0.00 0.00 179.24 179.32 2jri h THR 146 N 0.51 1.14 0.00 1.15 2.02 -2.02 -2.99 112.91 112.73 2jri h THR 146 Ca 0.16 -1.83 -0.22 0.00 0.77 0.00 0.00 66.41 65.30 2jri h THR 146 Cb -0.00 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2jri h THR 146 CO -0.07 0.48 -0.93 0.22 0.37 0.00 0.00 175.52 175.60 2jri h TYR 147 N 0.00 0.51 -0.80 3.16 3.20 -1.78 -3.26 116.97 118.00 2jri h TYR 147 Ca -0.00 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.61 2jri h TYR 147 Cb 1.01 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 2jri h TYR 147 CO 0.00 1.10 0.51 1.25 -1.64 0.00 0.00 178.16 179.38 2jri h LEU 148 N 0.19 0.86 -0.79 2.82 5.85 -0.52 0.35 115.31 124.07 2jri h LEU 148 Ca -0.07 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2jri h LEU 148 Cb 1.56 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 2jri h LEU 148 CO 0.15 0.60 0.49 0.00 -0.34 0.00 0.00 178.44 179.35 2jri h ALA 149 N 1.32 1.06 -0.04 1.25 0.00 -1.59 -0.21 119.26 121.06 2jri h ALA 149 Ca 0.31 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 2jri h ALA 149 Cb -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.55 2jri h ALA 149 CO -0.10 0.26 -0.96 1.25 0.00 0.00 0.00 179.25 179.69 2jri h LEU 150 N 0.93 0.90 -0.36 0.00 5.85 -1.47 -3.13 115.31 118.04 2jri h LEU 150 Ca 0.33 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 58.42 2jri h LEU 150 Cb 0.10 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2jri h LEU 150 CO -0.14 1.48 0.07 0.15 -0.34 0.00 0.00 178.44 179.66 2jri h PHE 151 N 0.43 0.11 -0.75 1.25 3.57 0.26 0.11 116.94 121.92 2jri h PHE 151 Ca -0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.45 2jri h PHE 151 Cb 1.61 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.31 2jri h PHE 151 CO 0.10 0.01 0.47 -0.07 -2.23 0.00 0.00 178.31 176.59 2jri h LEU 152 N 0.19 0.77 -0.38 0.59 -0.00 -1.11 -0.50 115.31 114.86 2jri h LEU 152 Ca 0.17 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.00 2jri h LEU 152 Cb 0.20 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2jri h LEU 152 CO -0.23 0.53 0.04 0.00 -0.00 0.00 0.00 178.44 178.78 2jri h ALA 153 N 1.32 0.51 -0.84 1.53 0.00 -1.30 -2.28 119.26 118.20 2jri h ALA 153 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2jri h ALA 153 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2jri h ALA 153 CO -0.11 0.25 0.51 1.96 0.00 0.00 0.00 179.25 181.85 2jri h GLN 154 N 0.49 1.14 -0.37 0.00 1.08 -0.31 -1.46 115.11 115.68 2jri h GLN 154 Ca 0.11 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2jri h GLN 154 Cb 0.40 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 2jri h GLN 154 CO 0.01 0.79 0.18 -0.07 -0.95 0.00 0.00 178.83 178.80 2jri h LEU 155 N 1.16 0.47 -0.53 1.46 3.38 -0.88 -0.42 115.31 119.95 2jri h LEU 155 Ca 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2jri h LEU 155 Cb -0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2jri h LEU 155 CO -0.06 0.46 0.33 1.56 0.09 0.00 0.00 178.44 180.82 2jri h GLN 156 N 0.45 0.71 -0.66 1.13 4.20 -0.86 0.34 115.11 120.43 2jri h GLN 156 Ca 0.13 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2jri h GLN 156 Cb 0.10 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2jri h GLN 156 CO -0.02 0.50 0.15 1.96 -0.67 0.00 0.00 178.83 180.76 2jri h GLN 157 N 0.71 1.07 -0.27 1.46 4.20 -1.09 -2.79 115.11 118.41 2jri h GLN 157 Ca 0.19 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 2jri h GLN 157 Cb -0.03 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2jri h GLN 157 CO -0.04 0.96 -0.28 1.49 -0.67 0.00 0.00 178.83 180.29 2jri h GLU 158 N 0.99 0.54 0.00 1.46 4.57 -0.71 -3.47 114.58 117.97 2jri h GLU 158 Ca 0.21 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jri h GLU 158 Cb 0.38 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2jri h GLU 158 CO 0.00 0.77 0.00 0.41 -1.18 0.00 0.00 179.01 179.01 2jri n GLY 159 N -0.27 1.72 3.64 1.92 0.00 0.05 -5.09 105.19 107.15 2jri n GLY 159 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2jri n GLY 159 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jri s TYR 160 N -2.00 3.02 -0.40 1.61 2.02 0.99 -4.74 117.35 117.85 2jri s TYR 160 Ca 0.00 1.10 -0.28 0.00 -0.37 0.00 0.00 57.07 57.52 2jri s TYR 160 Cb 0.00 -3.73 -0.01 0.00 -0.40 0.00 0.00 41.96 37.82 2jri s TYR 160 CO 0.00 -1.06 1.66 -1.12 -1.57 0.00 0.00 175.55 173.45 2jri s SER 161 N 1.95 5.98 -0.35 2.29 0.01 0.16 -4.41 113.70 119.33 2jri s SER 161 Ca 0.49 0.98 -0.19 0.00 1.31 0.00 0.00 55.95 58.53 2jri s SER 161 Cb -0.14 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2jri s SER 161 CO 0.17 -1.69 0.57 -0.63 0.41 0.00 0.00 173.24 172.06 2jri s ILE 162 N 6.60 4.96 -0.50 1.44 1.01 -1.26 -0.55 121.20 132.90 2jri s ILE 162 Ca 0.71 0.43 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 2jri s ILE 162 Cb -0.18 -4.01 0.12 0.00 0.01 0.00 0.00 42.46 38.40 2jri s ILE 162 CO 0.31 -0.26 0.42 -0.36 0.00 0.00 0.00 174.94 175.05 2jri s PHE 163 N 2.53 3.34 -0.03 3.97 0.08 0.81 -0.90 117.98 127.77 2jri s PHE 163 Ca 0.21 -1.57 -0.22 0.00 0.12 0.00 0.00 56.93 55.47 2jri s PHE 163 Cb -0.15 -3.63 -0.05 0.00 -0.57 0.00 0.00 43.02 38.63 2jri s PHE 163 CO 0.14 -1.00 0.63 0.08 -0.10 0.00 0.00 175.22 174.97 2jri s VAL 164 N 1.48 4.97 -0.32 -0.44 1.01 0.77 -0.94 120.40 126.93 2jri s VAL 164 Ca 0.04 1.31 -0.16 0.00 0.00 0.00 0.00 61.98 63.17 2jri s VAL 164 Cb -0.28 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2jri s VAL 164 CO 0.01 0.35 0.41 -0.69 0.00 0.00 0.00 175.10 175.18 2jri s VAL 165 N 0.21 5.13 0.04 2.92 1.01 0.01 0.43 120.40 130.16 2jri s VAL 165 Ca 0.33 0.30 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2jri s VAL 165 Cb -0.18 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2jri s VAL 165 CO 0.17 -0.04 0.26 -0.54 0.00 0.00 0.00 175.10 174.95 2jri s LYS 166 N 2.13 3.53 0.00 2.72 -0.14 0.57 -4.27 119.74 124.29 2jri s LYS 166 Ca 0.15 -0.20 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 2jri s LYS 166 Cb -0.16 -3.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2jri s LYS 166 CO 0.11 0.61 0.00 0.41 -0.76 0.00 0.00 175.35 175.72 2jri n GLY 167 N 0.71 0.11 3.45 -3.33 0.00 -1.26 -1.95 105.19 102.92 2jri n GLY 167 Ca -0.08 -2.29 -0.44 0.00 0.00 0.00 0.00 46.02 43.22 2jri n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jri s ASP 168 N -4.00 6.19 -0.12 1.61 1.11 -1.26 -4.89 116.67 115.31 2jri s ASP 168 Ca 0.00 -0.89 -0.19 0.00 0.18 0.00 0.00 52.55 51.65 2jri s ASP 168 Cb 0.00 -2.23 -0.04 0.00 1.07 0.00 0.00 42.92 41.72 2jri s ASP 168 CO 0.00 -0.69 0.51 -0.76 1.18 0.00 0.00 175.17 175.41 2jri s LEU 169 N 2.18 4.27 -0.44 1.23 1.02 -1.26 -4.98 118.68 120.69 2jri s LEU 169 Ca 0.11 0.85 -0.27 0.00 0.02 0.00 0.00 54.13 54.84 2jri s LEU 169 Cb -0.19 -2.75 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2jri s LEU 169 CO 0.12 -0.04 2.05 -2.16 0.02 0.00 0.00 176.35 176.34 2jri s PRO 170 N 0.76 2.75 0.60 1.29 0.04 -1.26 -4.97 135.00 134.21 2jri s PRO 170 Ca 0.27 1.27 -0.14 0.00 0.04 0.00 0.00 61.00 62.44 2jri s PRO 170 Cb -0.15 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2jri s PRO 170 CO 0.11 -2.55 1.04 0.16 0.04 0.00 0.00 177.00 175.80 2jri s ASP 171 N 8.71 5.97 0.00 6.66 -4.77 -1.26 -4.65 116.67 127.33 2jri s ASP 171 Ca 0.84 1.67 0.00 0.00 -3.30 0.00 0.00 52.55 51.76 2jri s ASP 171 Cb -0.20 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 2jri s ASP 171 CO 0.28 -1.04 0.00 0.00 0.70 0.00 0.00 175.17 175.11 2jri h GLU 173 N 0.00 0.00 0.00 0.00 4.81 -1.97 -2.30 114.58 115.12 2jri h GLU 173 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jri h GLU 173 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jri h GLU 173 CO 0.00 0.16 -0.01 0.00 -0.73 0.00 0.00 179.01 178.43 2jri h ALA 174 N 1.84 1.05 0.24 2.92 0.00 -1.95 -1.71 119.26 121.64 2jri h ALA 174 Ca -0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 2jri h ALA 174 Cb 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.17 2jri h ALA 174 CO 0.02 0.01 -1.51 0.22 0.00 0.00 0.00 179.25 178.00 2jri h ASP 175 N 0.00 0.80 -0.17 0.00 3.58 -1.79 -2.87 116.42 115.96 2jri h ASP 175 Ca -0.00 -0.89 -0.14 0.00 0.42 0.00 0.00 57.03 56.42 2jri h ASP 175 Cb 0.16 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2jri h ASP 175 CO 0.00 1.70 -0.44 1.56 -2.88 0.00 0.00 179.24 179.19 2jri h GLN 176 N 0.14 0.60 0.00 0.28 1.08 -1.50 -3.16 115.11 112.55 2jri h GLN 176 Ca -0.26 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.52 2jri h GLN 176 Cb 2.16 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.65 2jri h GLN 176 CO 0.26 1.03 0.00 1.37 -0.95 0.00 0.00 178.83 180.54 2jri h LEU 177 N 0.26 0.00 -0.04 1.46 8.10 -1.46 -2.86 115.31 120.77 2jri h LEU 177 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.98 2jri h LEU 177 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.27 2jri h LEU 177 CO 0.09 0.00 -0.09 0.18 -4.11 0.00 0.00 178.44 174.52 2jri n LEU 178 N -3.09 0.15 0.12 0.17 7.99 -1.08 -3.34 117.00 117.92 2jri n LEU 178 Ca 0.02 0.29 0.12 0.00 -0.01 0.00 0.00 56.01 56.44 2jri n LEU 178 Cb 0.41 -0.36 0.46 0.00 -0.11 0.00 0.00 43.42 43.82 2jri n LEU 178 CO 0.30 0.03 0.87 0.00 -1.51 0.00 0.00 177.39 177.09 2jri n GLN 179 N -1.35 0.22 -0.09 3.23 1.13 -1.08 -2.44 117.38 117.00 2jri n GLN 179 Ca 0.10 0.33 0.12 0.00 -1.94 0.00 0.00 57.00 55.61 2jri n GLN 179 Cb 0.30 -1.84 0.31 0.00 0.11 0.00 0.00 30.24 29.12 2jri n GLN 179 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jri n MET 180 N -2.24 2.05 -3.60 -1.09 0.00 -1.21 -4.81 117.12 106.21 2jri n MET 180 Ca 0.04 -1.56 -0.40 0.00 0.00 0.00 0.00 57.70 55.78 2jri n MET 180 Cb 0.31 -1.45 -0.11 0.00 0.00 0.00 0.00 33.22 31.97 2jri n MET 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jri s ILE 181 N -1.76 4.77 0.00 3.17 -1.09 -1.02 -5.20 121.20 120.06 2jri s ILE 181 Ca 0.34 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 58.24 2jri s ILE 181 Cb 0.20 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2jri s ILE 181 CO 0.29 -0.06 0.00 -2.11 -1.23 0.00 0.00 174.94 171.83