#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 -2.38 2.12 4.71 -1.26 -4.84 120.64 118.99 2jri n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 2jri n GLU 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 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 5.93 -0.02 1.62 0.01 -1.26 -4.97 113.70 114.01 2jri s SER 3 Ca 0.00 -0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.29 2jri s SER 3 Cb 0.00 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2jri s SER 3 CO 0.00 -1.93 -0.21 -0.63 0.41 0.00 0.00 173.24 170.88 2jri s ILE 4 N 6.65 1.65 -1.35 1.44 1.01 -1.26 -3.82 121.20 125.53 2jri s ILE 4 Ca 0.48 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 2jri s ILE 4 Cb -0.10 -1.38 0.09 0.00 0.01 0.00 0.00 42.46 41.08 2jri s ILE 4 CO 0.19 0.47 1.92 0.49 0.00 0.00 0.00 174.94 178.01 2jri n PHE 5 N 2.62 3.93 -2.64 3.97 3.01 -1.26 -4.83 117.46 122.27 2jri n PHE 5 Ca -0.16 -2.95 -0.42 0.00 1.01 0.00 0.00 57.45 54.93 2jri n PHE 5 Cb 0.53 -2.41 0.01 0.00 -0.01 0.00 0.00 39.48 37.59 2jri n PHE 5 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jri n HIS 6 N 6.25 2.55 -2.18 1.38 -0.00 -1.26 -4.85 115.22 117.12 2jri n HIS 6 Ca 0.47 -2.67 -0.43 0.00 0.46 0.00 0.00 57.72 55.56 2jri n HIS 6 Cb 0.41 -1.56 -0.02 0.00 -0.12 0.00 0.00 29.99 28.70 2jri n HIS 6 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2jri s GLU 7 N -1.60 4.02 -0.13 1.57 0.41 -1.26 -5.00 118.70 116.71 2jri s GLU 7 Ca 0.37 1.78 -0.03 0.00 -0.41 0.00 0.00 54.97 56.68 2jri s GLU 7 Cb 0.09 -3.95 -0.03 0.00 -1.78 0.00 0.00 34.13 28.46 2jri s GLU 7 CO 0.03 -1.02 -0.02 0.21 -0.49 0.00 0.00 175.26 173.98 2jri s LYS 8 N 4.18 3.45 0.13 1.61 2.47 -1.26 -4.86 119.74 125.46 2jri s LYS 8 Ca 0.67 -0.47 -0.01 0.00 -1.56 0.00 0.00 55.97 54.60 2jri s LYS 8 Cb -0.26 -2.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.18 2jri s LYS 8 CO 0.25 0.40 0.04 1.14 0.16 0.00 0.00 175.35 177.35 2jri s GLN 9 N -0.07 0.92 0.09 4.03 0.00 -1.26 -5.16 119.66 118.21 2jri s GLN 9 Ca 0.03 -1.43 -0.09 0.00 -0.00 0.00 0.00 55.36 53.87 2jri s GLN 9 Cb -0.13 0.18 -0.00 0.00 0.00 0.00 0.00 33.01 33.06 2jri s GLN 9 CO 0.02 -0.23 0.19 -2.00 0.00 0.00 0.00 175.29 173.27 2jri s GLU 10 N -4.02 0.84 -0.40 9.60 2.12 -1.26 -4.99 118.70 120.59 2jri s GLU 10 Ca 0.22 -0.97 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 2jri s GLU 10 Cb 0.07 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.80 2jri s GLU 10 CO 0.01 -0.27 0.39 0.41 -0.54 0.00 0.00 175.26 175.26 2jri n GLY 11 N -0.06 -0.83 7.00 -1.50 0.00 -1.26 -4.81 105.19 103.73 2jri n GLY 11 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.38 -0.85 -3.21 1.61 7.64 -1.26 -4.90 113.62 111.26 2jri n SER 12 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2jri n SER 12 Cb 0.49 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 -2.29 0.00 -3.43 7.99 -1.03 -4.84 117.00 113.40 2jri n LEU 13 Ca 0.00 -0.36 0.07 0.00 -0.01 0.00 0.00 56.01 55.71 2jri n LEU 13 Cb 0.00 -2.65 0.43 0.00 -0.11 0.00 0.00 43.42 41.09 2jri n LEU 13 CO 0.00 0.24 0.68 0.00 -1.51 0.00 0.00 177.39 176.79 2jri h ALA 15 N 3.05 1.39 0.00 0.00 0.00 -1.96 -0.54 119.26 121.20 2jri h ALA 15 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jri h ALA 15 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jri h ALA 15 CO 0.00 0.42 0.00 1.04 0.00 0.00 0.00 179.25 180.71 2jri n GLN 16 N -4.19 0.85 0.00 0.00 6.02 -1.21 -2.40 117.38 116.44 2jri n GLN 16 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 2jri n GLN 16 Cb 0.34 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.11 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2jri n HIS 17 N -1.02 0.00 -0.08 1.08 -0.00 -0.25 -3.19 115.22 111.76 2jri n HIS 17 Ca 0.21 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.23 2jri n HIS 17 Cb 0.11 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.91 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri n LEU 19 N -3.49 1.29 0.04 0.00 0.00 -1.03 -3.46 117.00 110.36 2jri n LEU 19 Ca -0.31 0.41 0.12 0.00 0.00 0.00 0.00 56.01 56.23 2jri n LEU 19 Cb 0.75 -0.72 0.58 0.00 0.00 0.00 0.00 43.42 44.02 2jri n LEU 19 CO 0.06 -0.43 1.15 0.78 0.00 0.00 0.00 177.39 178.95 2jri h ASN 20 N -0.70 0.19 0.00 1.96 2.35 -1.74 0.29 115.58 117.93 2jri h ASN 20 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 2jri h ASN 20 Cb 0.49 -0.04 0.02 0.00 0.05 0.00 0.00 38.32 38.84 2jri h ASN 20 CO 0.00 0.12 -0.95 0.78 -1.65 0.00 0.00 177.43 175.73 2jri h ASN 21 N 0.21 0.83 -0.28 5.81 2.35 -1.77 -0.13 115.58 122.60 2jri h ASN 21 Ca 0.18 -0.74 -0.15 0.00 -0.55 0.00 0.00 56.30 55.04 2jri h ASN 21 Cb 0.45 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2jri h ASN 21 CO -0.03 1.47 -0.42 0.25 -1.65 0.00 0.00 177.43 177.05 2jri h LEU 22 N 0.29 0.86 -0.11 1.61 7.12 -1.32 -2.74 115.31 121.02 2jri h LEU 22 Ca -0.12 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.38 2jri h LEU 22 Cb 1.62 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 2jri h LEU 22 CO 0.19 1.20 0.00 0.18 -0.13 0.00 0.00 178.44 179.88 2jri n LEU 23 N -4.14 0.25 -3.22 2.25 4.77 0.92 -4.89 117.00 112.94 2jri n LEU 23 Ca -0.04 0.54 -0.15 0.00 -0.03 0.00 0.00 56.01 56.33 2jri n LEU 23 Cb 0.55 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 2jri n LEU 23 CO 0.48 -0.20 0.05 0.00 -1.33 0.00 0.00 177.39 176.39 2jri n GLN 24 N -1.75 -3.46 0.00 3.23 1.13 -0.82 -4.63 117.38 111.08 2jri n GLN 24 Ca 0.05 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2jri n GLN 24 Cb 0.29 -5.67 0.00 0.00 0.11 0.00 0.00 30.24 24.97 2jri n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jri n GLY 25 N -1.21 3.13 3.56 1.08 0.00 -0.13 -4.75 105.19 106.88 2jri n GLY 25 Ca -0.13 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 2jri n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jri s GLU 26 N -1.54 3.41 -0.22 1.61 8.01 -1.26 -4.47 118.70 124.23 2jri s GLU 26 Ca 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 54.97 54.18 2jri s GLU 26 Cb 0.00 -4.93 -0.12 0.00 -4.31 0.00 0.00 34.13 24.77 2jri s GLU 26 CO 0.00 -2.23 -0.23 0.66 0.01 0.00 0.00 175.26 173.47 2jri n TYR 27 N 9.26 0.00 -3.88 1.61 4.01 -1.26 -5.02 117.16 121.88 2jri n TYR 27 Ca 0.23 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.76 2jri n TYR 27 Cb 0.50 -0.83 -0.02 0.00 -0.31 0.00 0.00 39.34 38.68 2jri n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jri s PHE 28 N -2.43 3.37 0.17 -0.72 0.40 -1.26 -5.13 117.98 112.39 2jri s PHE 28 Ca -0.30 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 2jri s PHE 28 Cb 0.10 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2jri s PHE 28 CO 0.46 0.36 0.18 -1.12 0.70 0.00 0.00 175.22 175.80 2jri s SER 29 N -4.01 5.71 0.14 1.36 0.01 -1.26 -4.98 113.70 110.67 2jri s SER 29 Ca 0.36 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 57.30 2jri s SER 29 Cb -0.09 -1.55 -0.02 0.00 0.21 0.00 0.00 66.02 64.57 2jri s SER 29 CO 0.29 0.05 1.62 -0.65 0.41 0.00 0.00 173.24 174.97 2jri h PRO 30 N 2.26 -0.35 0.00 12.44 0.11 -1.99 -0.45 132.00 144.02 2jri h PRO 30 Ca -0.48 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2jri h PRO 30 Cb 1.20 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 2jri h PRO 30 CO 0.64 -0.23 -0.09 -0.24 -0.21 0.00 0.00 178.00 177.87 2jri h VAL 31 N -0.36 1.02 -0.17 3.15 3.04 -1.99 -2.15 116.25 118.79 2jri h VAL 31 Ca 0.09 -0.32 -0.04 0.00 -1.01 0.00 0.00 66.70 65.43 2jri h VAL 31 Cb 0.51 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2jri h VAL 31 CO -0.32 0.09 -0.06 -0.08 -1.01 0.00 0.00 177.57 176.19 2jri h GLU 32 N 0.00 0.33 0.00 4.17 4.81 -1.68 -2.61 114.58 119.60 2jri h GLU 32 Ca -0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2jri h GLU 32 Cb 0.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jri h GLU 32 CO 0.01 0.63 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.81 2jri h LEU 33 N 0.02 0.00 -0.24 1.64 3.38 -0.52 0.04 115.31 119.64 2jri h LEU 33 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2jri h LEU 33 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2jri h LEU 33 CO 0.02 0.04 0.00 0.28 0.09 0.00 0.00 178.44 178.87 2jri h SER 34 N 0.00 0.00 0.00 -0.43 0.02 -1.03 -3.23 113.55 108.88 2jri h SER 34 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jri h SER 34 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2jri h SER 34 CO 0.00 0.00 -1.81 -1.20 -1.14 0.00 0.00 176.83 172.69 2jri n SER 35 N -2.80 0.22 0.25 3.07 7.64 -0.05 -4.25 113.62 117.71 2jri n SER 35 Ca 0.04 -0.18 0.13 0.00 1.01 0.00 0.00 58.87 59.87 2jri n SER 35 Cb 0.45 1.81 0.60 0.00 -1.01 0.00 0.00 64.21 66.06 2jri n SER 35 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2jri h ILE 36 N 0.00 0.33 0.00 0.44 3.07 -1.44 -2.56 117.51 117.36 2jri h ILE 36 Ca 0.00 -0.79 -0.10 0.00 1.55 0.00 0.00 64.86 65.52 2jri h ILE 36 Cb 0.90 1.60 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 2jri h ILE 36 CO 0.00 0.12 -0.49 0.00 -1.05 0.00 0.00 178.15 176.73 2jri h ALA 37 N 1.88 0.99 0.00 0.16 0.00 -1.74 -3.03 119.26 117.52 2jri h ALA 37 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jri h ALA 37 Cb 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jri h ALA 37 CO 0.02 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.08 2jri h HIS 38 N 0.00 0.00 0.00 0.00 -0.00 -1.66 -2.10 115.15 111.39 2jri h HIS 38 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 2jri h HIS 38 Cb 0.99 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 2jri h HIS 38 CO 0.00 0.04 -0.27 0.37 -0.00 0.00 0.00 177.93 178.07 2jri h GLN 39 N 0.00 0.00 -0.06 5.26 -0.00 -1.67 -1.96 115.11 116.68 2jri h GLN 39 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.56 2jri h GLN 39 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 2jri h GLN 39 CO 0.01 0.27 -0.38 -0.07 0.00 0.00 0.00 178.83 178.66 2jri h LEU 40 N 0.00 0.12 -0.91 -2.39 -0.00 -1.57 -2.14 115.31 108.41 2jri h LEU 40 Ca -0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.76 2jri h LEU 40 Cb 0.57 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.17 2jri h LEU 40 CO 0.04 0.49 0.01 -0.78 -0.00 0.00 0.00 178.44 178.20 2jri h ASP 41 N 0.10 0.78 -0.98 -0.43 3.58 -1.48 0.28 116.42 118.28 2jri h ASP 41 Ca 0.01 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.29 2jri h ASP 41 Cb 0.72 -0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 2jri h ASP 41 CO 0.05 0.84 0.65 -0.08 -2.88 0.00 0.00 179.24 177.82 2jri h GLU 42 N 0.76 1.26 0.13 0.28 4.81 -1.25 0.33 114.58 120.90 2jri h GLU 42 Ca 0.15 -0.08 -0.27 0.00 -0.13 0.00 0.00 59.36 59.04 2jri h GLU 42 Cb 0.44 -0.28 0.03 0.00 0.63 0.00 0.00 28.75 29.57 2jri h GLU 42 CO 0.02 0.83 -1.13 0.93 -0.73 0.00 0.00 179.01 178.94 2jri h GLU 43 N 1.30 0.53 -0.27 1.92 5.08 -1.18 -3.23 114.58 118.73 2jri h GLU 43 Ca 0.37 -0.75 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2jri h GLU 43 Cb -0.11 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jri h GLU 43 CO -0.09 1.33 -0.05 0.93 -1.00 0.00 0.00 179.01 180.14 2jri h GLU 44 N 0.10 0.42 -0.57 2.33 4.39 -0.15 -1.23 114.58 119.86 2jri h GLU 44 Ca -0.18 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.46 2jri h GLU 44 Cb 1.83 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.39 2jri h GLU 44 CO 0.22 0.48 0.34 -0.09 -1.16 0.00 0.00 179.01 178.80 2jri h ARG 45 N 0.40 0.65 -0.51 2.33 2.43 -0.41 0.18 114.38 119.46 2jri h ARG 45 Ca 0.08 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 2jri h ARG 45 Cb 0.34 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2jri h ARG 45 CO 0.01 0.43 -0.04 0.52 -1.51 0.00 0.00 179.97 179.39 2jri h MET 46 N 0.67 0.92 -0.76 0.20 2.86 -1.44 0.19 114.93 117.58 2jri h MET 46 Ca 0.23 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2jri h MET 46 Cb 0.03 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 2jri h MET 46 CO -0.10 0.96 0.48 -0.09 1.06 0.00 0.00 176.91 179.22 2jri h ARG 47 N 0.78 1.02 0.00 1.72 1.12 -0.49 0.70 114.38 119.22 2jri h ARG 47 Ca 0.14 -0.08 -0.23 0.00 -1.11 0.00 0.00 59.98 58.71 2jri h ARG 47 Cb 0.57 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 2jri h ARG 47 CO 0.03 0.70 -1.19 0.52 -3.11 0.00 0.00 179.97 176.92 2jri h MET 48 N 1.04 0.00 -0.15 0.20 2.86 -0.43 0.96 114.93 119.41 2jri h MET 48 Ca 0.28 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 2jri h MET 48 Cb -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2jri h MET 48 CO -0.05 0.79 -0.68 0.00 1.06 0.00 0.00 176.91 178.02 2jri h ALA 49 N 1.05 0.52 0.00 6.32 0.00 -0.11 -2.22 119.26 124.83 2jri h ALA 49 Ca -0.09 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 2jri h ALA 49 Cb 1.81 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 2jri h ALA 49 CO 0.11 0.71 -1.76 0.39 0.00 0.00 0.00 179.25 178.70 2jri n GLU 50 N -3.91 0.65 -3.06 0.00 4.71 0.19 -4.55 120.64 114.67 2jri n GLU 50 Ca -0.05 0.04 -0.23 0.00 -0.01 0.00 0.00 57.16 56.92 2jri n GLU 50 Cb 0.69 -1.66 -0.03 0.00 -1.01 0.00 0.00 31.44 29.42 2jri n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jri n GLY 51 N 1.42 4.62 3.62 0.62 0.00 0.33 -5.07 105.19 110.73 2jri n GLY 51 Ca -0.12 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.37 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 -2.97 2.50 -0.18 -0.02 0.00 -0.83 -4.52 107.32 101.30 2jri s GLY 52 Ca 0.44 -2.30 -0.14 0.00 0.00 0.00 0.00 44.72 42.72 2jri s GLY 52 CO -0.11 -2.09 -0.21 -0.62 0.00 0.00 0.00 173.10 170.06 2jri n VAL 53 N -0.98 1.47 -4.15 1.40 0.31 -1.26 -5.06 118.33 110.06 2jri n VAL 53 Ca -0.05 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 2jri n VAL 53 Cb 0.67 -2.29 -0.07 0.00 -0.91 0.00 0.00 33.84 31.24 2jri n VAL 53 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2jri s THR 54 N -2.52 0.00 0.46 2.52 -4.23 -1.26 -5.03 115.64 105.58 2jri s THR 54 Ca -0.24 -1.78 0.16 0.00 -1.18 0.00 0.00 61.69 58.65 2jri s THR 54 Cb 0.04 -2.47 0.21 0.00 1.34 0.00 0.00 72.50 71.63 2jri s THR 54 CO 0.36 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.76 2jri h SER 55 N 2.34 0.00 0.79 3.99 0.02 -1.98 -1.98 113.55 116.73 2jri h SER 55 Ca -0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2jri h SER 55 Cb 1.24 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jri h SER 55 CO 0.43 0.14 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.44 2jri h GLU 56 N 0.00 -1.16 -0.04 3.45 3.07 -1.99 0.94 114.58 118.84 2jri h GLU 56 Ca -0.00 0.08 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 2jri h GLU 56 Cb 0.26 0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2jri h GLU 56 CO 0.02 -0.78 -0.28 0.38 -1.40 0.00 0.00 179.01 176.95 2jri h ASP 57 N -1.21 0.08 -0.17 1.42 2.03 -1.95 -0.40 116.42 116.22 2jri h ASP 57 Ca -0.11 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 56.17 2jri h ASP 57 Cb 0.97 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 2jri h ASP 57 CO 0.10 0.36 0.10 0.22 -1.03 0.00 0.00 179.24 178.99 2jri h TYR 58 N 0.07 0.22 -0.21 4.15 3.20 -1.07 0.46 116.97 123.79 2jri h TYR 58 Ca 0.01 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 2jri h TYR 58 Cb 0.54 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2jri h TYR 58 CO 0.00 0.20 -0.33 0.00 -1.64 0.00 0.00 178.16 176.39 2jri h ARG 59 N 0.18 0.45 -0.63 1.82 2.47 -0.46 -0.16 114.38 118.05 2jri h ARG 59 Ca 0.06 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.58 2jri h ARG 59 Cb 0.04 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 2jri h ARG 59 CO -0.01 0.73 0.37 1.15 0.56 0.00 0.00 179.97 182.76 2jri h THR 60 N 0.38 1.19 0.00 2.04 2.02 -0.60 -2.25 112.91 115.69 2jri h THR 60 Ca 0.05 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.78 2jri h THR 60 Cb 0.77 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2jri h THR 60 CO 0.06 0.20 -0.30 -0.26 0.37 0.00 0.00 175.52 175.59 2jri h PHE 61 N 0.85 0.00 0.00 3.16 0.04 -0.71 -2.92 116.94 117.37 2jri h PHE 61 Ca 0.22 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.85 2jri h PHE 61 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 2jri h PHE 61 CO -0.01 0.00 -0.66 1.25 -0.60 0.00 0.00 178.31 178.28 2jri h LEU 62 N 0.00 0.00 -3.19 1.54 5.85 -0.48 -3.08 115.31 115.96 2jri h LEU 62 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jri h LEU 62 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2jri h LEU 62 CO 0.00 0.66 0.00 1.67 -0.34 0.00 0.00 178.44 180.43 2jri n GLN 63 N -3.48 2.88 -2.41 1.25 7.27 -0.90 -4.89 117.38 117.10 2jri n GLN 63 Ca 0.00 -2.69 -0.40 0.00 0.07 0.00 0.00 57.00 53.98 2jri n GLN 63 Cb 0.72 -1.73 -0.04 0.00 2.41 0.00 0.00 30.24 31.60 2jri n GLN 63 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jri s GLN 64 N -2.50 4.51 0.63 3.69 2.00 -1.10 -4.96 119.66 121.93 2jri s GLN 64 Ca 0.38 1.85 -0.17 0.00 -2.00 0.00 0.00 55.36 55.42 2jri s GLN 64 Cb 0.30 -3.08 -0.07 0.00 0.80 0.00 0.00 33.01 30.96 2jri s GLN 64 CO 0.10 0.08 0.47 -2.30 -0.50 0.00 0.00 175.29 173.14 2jri n PRO 65 N 0.94 0.41 0.00 1.67 -0.02 -1.26 -2.12 135.00 134.62 2jri n PRO 65 Ca -0.00 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2jri n PRO 65 Cb 0.45 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.37 0.00 0.05 2.55 7.64 -1.26 -4.76 113.62 118.21 2jri n SER 66 Ca 0.11 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.82 2jri n SER 66 Cb 0.48 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.63 0.48 0.23 0.00 -1.73 -3.31 103.07 99.37 2jri h GLY 67 Ca 0.00 -1.07 -0.15 0.00 0.00 0.00 0.00 47.33 46.11 2jri h GLY 67 CO 0.00 0.95 -0.69 3.43 0.00 0.00 0.00 176.54 180.23 2jri h ASN 68 N 0.33 0.33 0.00 0.19 2.35 -1.86 -3.40 115.58 113.52 2jri h ASN 68 Ca -0.10 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.71 2jri h ASN 68 Cb 1.60 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.86 2jri h ASN 68 CO 0.18 1.32 0.00 0.80 -1.65 0.00 0.00 177.43 178.08 2jri n MET 69 N -4.23 0.00 0.00 0.81 1.56 -1.25 -4.63 117.12 109.38 2jri n MET 69 Ca -0.15 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.28 2jri n MET 69 Cb 0.74 0.00 0.00 0.00 2.15 0.00 0.00 33.22 36.11 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jri n ASP 70 N -1.76 0.00 0.05 6.12 2.03 -1.26 -4.27 116.55 117.46 2jri n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jri n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jri n ASP 70 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jri n ASP 71 N 0.00 -0.91 0.00 1.67 2.03 -1.26 -4.18 116.55 113.90 2jri n ASP 71 Ca 0.00 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.88 2jri n ASP 71 Cb 0.00 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.62 2jri n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jri n SER 72 N -3.05 0.00 -0.46 1.67 7.64 -1.26 -4.96 113.62 113.20 2jri n SER 72 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2jri n SER 72 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 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 5.00 0.51 0.00 0.23 0.00 -1.26 -4.83 105.19 104.84 2jri n GLY 73 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jri n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jri n PHE 74 N -0.01 -2.91 -3.68 1.61 3.72 -1.26 -2.47 117.46 112.46 2jri n PHE 74 Ca 0.05 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.36 2jri n PHE 74 Cb 0.24 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.69 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N -0.62 -0.77 0.71 1.38 0.08 -1.26 -4.80 117.98 112.70 2jri s PHE 75 Ca 0.00 1.56 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 2jri s PHE 75 Cb 0.00 0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.85 2jri s PHE 75 CO 0.00 -0.42 1.08 -1.12 -0.10 0.00 0.00 175.22 174.66 2jri s SER 76 N 1.67 5.34 0.24 1.36 0.01 -1.26 -4.93 113.70 116.14 2jri s SER 76 Ca -0.09 1.30 0.19 0.00 1.31 0.00 0.00 55.95 58.66 2jri s SER 76 Cb -0.08 -2.14 0.93 0.00 0.21 0.00 0.00 66.02 64.94 2jri s SER 76 CO -0.15 -1.43 1.57 0.00 0.41 0.00 0.00 173.24 173.64 2jri n ILE 77 N -3.09 1.13 0.32 1.44 3.06 -1.26 -1.96 119.36 118.99 2jri n ILE 77 Ca 0.07 0.56 0.20 0.00 -2.50 0.00 0.00 62.75 61.08 2jri n ILE 77 Cb 0.56 -1.53 1.04 0.00 0.54 0.00 0.00 39.64 40.25 2jri n ILE 77 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2jri h GLN 78 N 0.00 0.00 -0.30 9.51 7.50 -1.91 -0.77 115.11 129.14 2jri h GLN 78 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2jri h GLN 78 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 2jri h GLN 78 CO 0.00 0.01 0.00 1.33 -1.50 0.00 0.00 178.83 178.67 2jri n VAL 79 N -3.25 0.20 -0.01 -0.54 0.24 -0.83 -3.10 118.33 111.03 2jri n VAL 79 Ca -0.02 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.08 2jri n VAL 79 Cb 0.13 -0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 32.43 2jri n VAL 79 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jri n ILE 80 N -0.13 0.70 -0.03 1.34 2.08 -0.30 -4.24 119.36 118.78 2jri n ILE 80 Ca 0.04 0.09 -0.11 0.00 0.56 0.00 0.00 62.75 63.33 2jri n ILE 80 Cb 0.15 -1.64 -0.04 0.00 -0.75 0.00 0.00 39.64 37.36 2jri n ILE 80 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2jri h SER 81 N -0.21 0.19 1.70 4.38 0.02 -1.64 -2.88 113.55 115.12 2jri h SER 81 Ca -0.09 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2jri h SER 81 Cb 0.76 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2jri h SER 81 CO -0.05 0.18 -0.28 -1.13 -1.14 0.00 0.00 176.83 174.41 2jri h ASN 82 N 0.19 0.00 -0.79 3.07 -1.24 -1.85 -3.21 115.58 111.75 2jri h ASN 82 Ca 0.06 -0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.15 2jri h ASN 82 Cb 0.02 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.00 2jri h ASN 82 CO -0.01 0.00 0.44 0.00 -1.29 0.00 0.00 177.43 176.57 2jri h ALA 83 N 2.02 1.11 0.00 1.57 0.00 -1.68 -1.08 119.26 121.20 2jri h ALA 83 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2jri h ALA 83 Cb 0.99 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jri h ALA 83 CO 0.00 0.08 -1.43 -0.07 0.00 0.00 0.00 179.25 177.83 2jri h LEU 84 N 0.76 0.00 -0.77 0.00 -0.00 -1.67 -3.37 115.31 110.26 2jri h LEU 84 Ca 0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.18 2jri h LEU 84 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 2jri h LEU 84 CO -0.24 0.67 0.07 0.50 -0.00 0.00 0.00 178.44 179.44 2jri h LYS 85 N 0.00 1.01 0.00 1.13 3.64 -1.40 0.95 116.57 121.90 2jri h LYS 85 Ca -0.18 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2jri h LYS 85 Cb 1.67 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2jri h LYS 85 CO 0.05 0.95 -0.22 -0.39 -2.27 0.00 0.00 179.45 177.57 2jri h VAL 86 N 0.94 0.99 0.00 2.00 -1.51 -1.38 -1.34 116.25 115.95 2jri h VAL 86 Ca 0.18 -0.82 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2jri h VAL 86 Cb 0.45 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2jri h VAL 86 CO 0.02 0.22 -0.09 -0.50 -1.23 0.00 0.00 177.57 175.98 2jri h TRP 87 N 0.00 0.00 0.00 5.19 4.06 -1.63 -3.47 115.95 120.11 2jri h TRP 87 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jri h TRP 87 Cb 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 2jri h TRP 87 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 2jri n GLY 88 N 1.30 1.09 3.99 1.49 0.00 -0.51 -5.10 105.19 107.44 2jri n GLY 88 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 3.10 -0.02 0.99 2.01 0.29 -4.98 118.68 120.07 2jri s LEU 89 Ca 0.00 -0.23 0.04 0.00 0.01 0.00 0.00 54.13 53.94 2jri s LEU 89 Cb 0.00 -2.34 -0.00 0.00 0.01 0.00 0.00 46.19 43.85 2jri s LEU 89 CO 0.00 -1.54 -0.13 -0.70 1.01 0.00 0.00 176.35 174.99 2jri s GLU 90 N -4.96 1.25 -0.33 1.70 2.12 -0.94 -3.85 118.70 113.69 2jri s GLU 90 Ca 0.62 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.42 2jri s GLU 90 Cb -0.07 -1.15 0.03 0.00 0.26 0.00 0.00 34.13 33.19 2jri s GLU 90 CO 0.42 0.22 0.11 -1.17 -0.54 0.00 0.00 175.26 174.30 2jri s LEU 91 N -0.04 4.22 -0.18 2.70 2.96 -1.26 -0.00 118.68 127.07 2jri s LEU 91 Ca -0.00 -0.96 -0.06 0.00 -0.22 0.00 0.00 54.13 52.89 2jri s LEU 91 Cb -0.08 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2jri s LEU 91 CO 0.01 -0.29 0.02 -0.63 -1.32 0.00 0.00 176.35 174.13 2jri s ILE 92 N 1.46 4.28 -1.08 6.68 -1.09 0.70 -4.92 121.20 127.24 2jri s ILE 92 Ca 0.00 -0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.02 2jri s ILE 92 Cb -0.19 -2.92 0.09 0.00 -1.58 0.00 0.00 42.46 37.87 2jri s ILE 92 CO 0.03 0.45 1.42 -0.22 -1.23 0.00 0.00 174.94 175.40 2jri s LEU 93 N 0.59 4.20 0.45 2.97 2.96 -1.26 -0.05 118.68 128.55 2jri s LEU 93 Ca 0.00 -2.03 0.31 0.00 -0.22 0.00 0.00 54.13 52.20 2jri s LEU 93 Cb -0.14 -2.50 1.54 0.00 0.50 0.00 0.00 46.19 45.59 2jri s LEU 93 CO 0.02 -1.21 1.94 0.15 -1.32 0.00 0.00 176.35 175.93 2jri h PHE 94 N 8.72 0.00 0.00 5.38 3.57 -0.95 -1.84 116.94 131.83 2jri h PHE 94 Ca 0.25 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 2jri h PHE 94 Cb 0.97 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 2jri h PHE 94 CO 1.25 0.00 -0.33 -0.97 -2.23 0.00 0.00 178.31 176.03 2jri h ASN 95 N 0.00 0.00 -3.30 0.41 -1.24 -1.84 -3.33 115.58 106.28 2jri h ASN 95 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2jri h ASN 95 Cb 0.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2jri h ASN 95 CO 0.00 0.33 0.48 -0.44 -1.29 0.00 0.00 177.43 176.51 2jri s SER 96 N -6.57 7.24 0.42 1.15 0.01 -0.69 -4.91 113.70 110.36 2jri s SER 96 Ca -0.02 1.76 0.21 0.00 1.31 0.00 0.00 55.95 59.21 2jri s SER 96 Cb 0.13 -2.57 1.18 0.00 0.21 0.00 0.00 66.02 64.96 2jri s SER 96 CO 0.68 -0.37 1.77 -0.65 0.41 0.00 0.00 173.24 175.08 2jri h PRO 97 N 6.90 0.32 0.00 12.44 0.11 -1.87 0.29 132.00 150.19 2jri h PRO 97 Ca -0.39 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2jri h PRO 97 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jri h PRO 97 CO 0.79 0.21 -0.12 1.05 -0.21 0.00 0.00 178.00 179.73 2jri h GLU 98 N 0.33 0.00 -0.12 1.05 9.09 -1.91 -1.94 114.58 121.07 2jri h GLU 98 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 2jri h GLU 98 Cb 1.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.73 2jri h GLU 98 CO -0.26 0.12 0.00 0.66 0.05 0.00 0.00 179.01 179.57 2jri n TYR 99 N -3.80 0.15 0.47 2.06 4.01 0.80 -4.39 117.16 116.45 2jri n TYR 99 Ca -0.02 -0.17 0.06 0.00 -0.16 0.00 0.00 57.90 57.61 2jri n TYR 99 Cb 0.22 -0.01 0.19 0.00 -0.31 0.00 0.00 39.34 39.43 2jri n TYR 99 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2jri n GLN 100 N 0.57 2.33 -2.28 -0.72 7.27 0.05 -3.89 117.38 120.70 2jri n GLN 100 Ca 0.08 -1.55 -0.17 0.00 0.07 0.00 0.00 57.00 55.43 2jri n GLN 100 Cb 0.32 -1.51 0.03 0.00 2.41 0.00 0.00 30.24 31.49 2jri n GLN 100 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jri n ARG 101 N 0.59 3.03 0.12 3.69 1.85 -1.24 -4.75 116.66 119.94 2jri n ARG 101 Ca 0.14 -3.97 0.12 0.00 -1.00 0.00 0.00 57.85 53.14 2jri n ARG 101 Cb 0.48 -2.07 0.10 0.00 -1.05 0.00 0.00 32.46 29.92 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 2.33 0.00 -1.54 2.89 8.10 -1.90 -3.48 115.31 121.71 2jri h LEU 102 Ca 0.21 -0.06 -0.38 0.00 0.11 0.00 0.00 57.88 57.76 2jri h LEU 102 Cb 1.44 0.00 0.11 0.00 -0.44 0.00 0.00 40.66 41.77 2jri h LEU 102 CO 0.59 0.03 -0.78 0.54 -4.11 0.00 0.00 178.44 174.71 2jri n ARG 103 N -2.59 -6.14 -4.67 0.17 3.00 -1.26 -5.01 116.66 100.17 2jri n ARG 103 Ca 0.02 0.75 -0.30 0.00 -0.01 0.00 0.00 57.85 58.30 2jri n ARG 103 Cb 0.51 -5.61 -0.13 0.00 0.00 0.00 0.00 32.46 27.23 2jri n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jri s ILE 104 N -3.46 2.65 -0.28 0.55 1.01 -1.26 -5.10 121.20 115.32 2jri s ILE 104 Ca 0.13 -1.27 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 2jri s ILE 104 Cb -0.06 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.31 2jri s ILE 104 CO 0.77 0.31 1.14 -0.62 0.00 0.00 0.00 174.94 176.54 2jri s ASP 105 N -1.48 6.92 0.56 3.58 2.15 -1.26 -4.92 116.67 122.23 2jri s ASP 105 Ca 0.14 1.24 0.34 0.00 0.43 0.00 0.00 52.55 54.71 2jri s ASP 105 Cb -0.10 -2.54 1.58 0.00 -0.30 0.00 0.00 42.92 41.55 2jri s ASP 105 CO 0.05 -0.86 2.07 1.55 -0.17 0.00 0.00 175.17 177.81 2jri h PRO 106 N 8.20 0.00 0.00 4.34 0.13 -1.98 -2.46 132.00 140.22 2jri h PRO 106 Ca -0.22 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.80 2jri h PRO 106 Cb 1.07 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 2jri h PRO 106 CO 1.01 0.04 -0.52 0.82 -0.23 0.00 0.00 178.00 179.12 2jri h ILE 107 N 0.00 1.10 -0.35 -3.56 2.04 -1.93 -2.81 117.51 112.00 2jri h ILE 107 Ca -0.00 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.87 2jri h ILE 107 Cb 0.40 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2jri h ILE 107 CO 0.01 0.51 0.00 -3.20 0.00 0.00 0.00 178.15 175.47 2jri n ASN 108 N -3.52 2.06 -4.38 1.72 5.15 -0.93 -4.88 115.26 110.48 2jri n ASN 108 Ca -0.00 -2.05 -0.28 0.00 -0.60 0.00 0.00 54.58 51.66 2jri n ASN 108 Cb 0.62 -0.28 0.15 0.00 -0.53 0.00 0.00 39.78 39.74 2jri n ASN 108 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2jri s GLU 109 N -1.56 1.11 0.00 1.20 0.41 -1.06 -5.04 118.70 113.76 2jri s GLU 109 Ca 0.24 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.21 2jri s GLU 109 Cb 0.13 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 2jri s GLU 109 CO 0.15 -2.02 0.00 2.89 -0.49 0.00 0.00 175.26 175.80 2jri n ARG 110 N -3.42 3.22 -3.87 1.61 0.00 -1.26 -4.87 116.66 108.08 2jri n ARG 110 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.89 2jri n ARG 110 Cb 0.60 -0.92 0.01 0.00 -0.00 0.00 0.00 32.46 32.15 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -2.70 0.22 0.00 2.89 0.01 -1.26 -2.15 113.70 110.70 2jri s SER 111 Ca 0.00 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.03 2jri s SER 111 Cb 0.00 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.04 2jri s SER 111 CO 0.00 -1.61 0.00 2.22 0.41 0.00 0.00 173.24 174.26 2jri n PHE 112 N -0.54 0.00 -3.58 2.43 1.16 -1.23 -3.61 117.46 112.09 2jri n PHE 112 Ca -0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.51 2jri n PHE 112 Cb 0.60 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.43 2jri n PHE 112 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2jri s ILE 113 N -2.20 -0.77 -0.15 1.97 -4.36 0.33 -3.90 121.20 112.12 2jri s ILE 113 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2jri s ILE 113 Cb 0.00 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.71 2jri s ILE 113 CO 0.00 0.00 -0.18 0.00 0.24 0.00 0.00 174.94 175.00 2jri s ASN 115 N 0.85 5.08 -0.39 0.00 2.20 -1.08 0.64 114.94 122.25 2jri s ASN 115 Ca -0.05 -0.21 0.07 0.00 -0.94 0.00 0.00 52.86 51.73 2jri s ASN 115 Cb -0.15 -1.21 0.44 0.00 -2.00 0.00 0.00 41.25 38.32 2jri s ASN 115 CO -0.01 0.14 1.12 0.00 -2.94 0.00 0.00 177.10 175.40 2jri n TYR 116 N 0.24 3.02 0.00 1.54 9.36 0.16 -1.53 117.16 129.95 2jri n TYR 116 Ca -0.10 -2.85 0.00 0.00 3.32 0.00 0.00 57.90 58.27 2jri n TYR 116 Cb 0.53 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 2jri n TYR 116 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jri n LYS 117 N -0.50 0.00 -0.03 2.98 3.00 -1.26 -4.30 118.16 118.04 2jri n LYS 117 Ca 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.62 2jri n LYS 117 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 35.03 35.69 2jri n LYS 117 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jri n GLU 118 N 0.00 0.12 -4.18 1.64 2.13 -1.26 -5.07 120.64 114.02 2jri n GLU 118 Ca 0.00 0.05 -0.22 0.00 0.66 0.00 0.00 57.16 57.64 2jri n GLU 118 Cb 0.00 -0.80 -0.05 0.00 0.27 0.00 0.00 31.44 30.85 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jri s HIS 119 N -2.11 2.95 0.09 4.31 3.76 -1.26 -5.13 115.29 117.90 2jri s HIS 119 Ca -0.08 -0.15 0.08 0.00 -0.15 0.00 0.00 55.06 54.76 2jri s HIS 119 Cb 0.03 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.36 2jri s HIS 119 CO 0.11 0.56 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.76 2jri s TRP 120 N -2.19 1.82 -0.57 1.40 0.52 -1.26 -0.67 118.94 118.00 2jri s TRP 120 Ca 0.32 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.95 2jri s TRP 120 Cb -0.07 -1.02 0.15 0.00 -1.15 0.00 0.00 33.47 31.37 2jri s TRP 120 CO 0.23 0.19 0.44 -0.06 0.02 0.00 0.00 176.95 177.77 2jri s PHE 121 N -1.07 3.48 -1.17 -1.98 0.08 0.21 -4.77 117.98 112.76 2jri s PHE 121 Ca 0.07 -2.05 -0.08 0.00 0.12 0.00 0.00 56.93 54.99 2jri s PHE 121 Cb -0.10 -3.51 -0.06 0.00 -0.57 0.00 0.00 43.02 38.79 2jri s PHE 121 CO 0.04 -0.96 2.92 0.25 -0.10 0.00 0.00 175.22 177.36 2jri n THR 122 N 4.46 4.24 -2.04 0.64 -2.24 -1.25 -2.44 114.28 115.65 2jri n THR 122 Ca -0.01 -2.87 -0.43 0.00 -2.27 0.00 0.00 64.05 58.47 2jri n THR 122 Cb 0.41 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 66.33 2jri n THR 122 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jri s VAL 123 N 0.74 3.54 -0.10 2.28 1.01 -1.25 -3.39 120.40 123.23 2jri s VAL 123 Ca 0.65 0.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 2jri s VAL 123 Cb 0.22 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 2jri s VAL 123 CO -0.07 -0.44 -0.02 -0.60 0.00 0.00 0.00 175.10 173.97 2jri s ARG 124 N 5.48 3.09 -0.16 2.72 6.06 -1.23 -3.54 118.95 131.36 2jri s ARG 124 Ca 0.77 -0.46 -0.23 0.00 -2.50 0.00 0.00 55.73 53.31 2jri s ARG 124 Cb -0.22 -2.78 -0.02 0.00 0.06 0.00 0.00 34.95 31.99 2jri s ARG 124 CO 0.33 0.59 0.74 0.21 -2.50 0.00 0.00 175.30 174.67 2jri s LYS 125 N -0.58 4.29 -0.18 5.12 2.36 -0.92 -0.69 119.74 129.15 2jri s LYS 125 Ca 0.09 0.85 0.01 0.00 -2.55 0.00 0.00 55.97 54.38 2jri s LYS 125 Cb -0.12 -3.55 0.02 0.00 -1.05 0.00 0.00 37.83 33.13 2jri s LYS 125 CO 0.02 -0.23 -0.19 -0.51 1.55 0.00 0.00 175.35 175.99 2jri s LEU 126 N 1.82 2.07 0.00 5.43 1.02 0.92 -4.78 118.68 125.16 2jri s LEU 126 Ca 0.35 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.87 2jri s LEU 126 Cb -0.16 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.61 2jri s LEU 126 CO 0.13 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.10 2jri n GLY 127 N 4.64 0.87 0.00 -3.19 0.00 -1.10 -2.39 105.19 104.01 2jri n GLY 127 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jri n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jri n LYS 128 N 0.00 0.00 -2.52 1.61 0.00 -1.26 -4.87 118.16 111.13 2jri n LYS 128 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2jri n LYS 128 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 2jri n LYS 128 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2jri s GLN 129 N 0.00 3.71 -0.17 1.64 1.11 -1.00 -4.99 119.66 119.96 2jri s GLN 129 Ca 0.00 0.54 -0.07 0.00 0.01 0.00 0.00 55.36 55.84 2jri s GLN 129 Cb 0.00 -2.28 -0.04 0.00 -1.01 0.00 0.00 33.01 29.68 2jri s GLN 129 CO 0.00 -0.23 0.08 -1.58 0.01 0.00 0.00 175.29 173.57 2jri s TRP 130 N -2.68 3.32 -0.58 0.91 0.52 -1.23 -0.06 118.94 119.15 2jri s TRP 130 Ca 0.52 0.20 0.04 0.00 0.02 0.00 0.00 56.10 56.89 2jri s TRP 130 Cb -0.10 -2.04 0.15 0.00 -1.15 0.00 0.00 33.47 30.33 2jri s TRP 130 CO 0.39 0.30 0.36 -0.06 0.02 0.00 0.00 176.95 177.97 2jri s PHE 131 N 0.02 3.05 0.18 -1.98 0.40 0.13 -2.10 117.98 117.68 2jri s PHE 131 Ca 0.07 -3.09 -0.33 0.00 -0.60 0.00 0.00 56.93 52.97 2jri s PHE 131 Cb -0.12 -2.52 -0.14 0.00 0.51 0.00 0.00 43.02 40.76 2jri s PHE 131 CO 0.01 -0.67 1.56 -1.71 0.70 0.00 0.00 175.22 175.11 2jri n ASN 132 N 2.65 3.08 -3.95 1.36 5.15 -1.26 -3.58 115.26 118.71 2jri n ASN 132 Ca 0.14 1.09 -0.29 0.00 -0.60 0.00 0.00 54.58 54.91 2jri n ASN 132 Cb 0.35 -1.43 -0.16 0.00 -0.53 0.00 0.00 39.78 38.00 2jri n ASN 132 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jri s LEU 133 N 0.76 1.90 0.01 1.20 1.43 -1.22 -2.91 118.68 119.86 2jri s LEU 133 Ca 0.77 -0.72 -0.20 0.00 -1.03 0.00 0.00 54.13 52.94 2jri s LEU 133 Cb -0.67 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2jri s LEU 133 CO 0.40 -0.15 0.45 0.21 0.23 0.00 0.00 176.35 177.49 2jri s ASN 134 N 1.51 -0.36 -1.28 2.29 2.47 -1.26 -3.88 114.94 114.44 2jri s ASN 134 Ca 0.01 0.19 -0.18 0.00 0.42 0.00 0.00 52.86 53.30 2jri s ASN 134 Cb -0.15 0.43 0.02 0.00 -1.45 0.00 0.00 41.25 40.09 2jri s ASN 134 CO -0.08 -0.60 1.91 -1.20 -3.72 0.00 0.00 177.10 173.41 2jri n SER 135 N 0.79 4.17 0.00 -4.21 7.64 -1.26 -2.83 113.62 117.92 2jri n SER 135 Ca -0.19 -2.85 0.00 0.00 1.01 0.00 0.00 58.87 56.84 2jri n SER 135 Cb 0.58 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 2jri n SER 135 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jri n LEU 136 N 8.64 0.00 -4.87 -3.43 7.94 -1.26 -5.13 117.00 118.90 2jri n LEU 136 Ca 0.49 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 55.02 2jri n LEU 136 Cb 0.44 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.33 2jri n LEU 136 CO 0.81 0.00 -0.11 -1.48 -1.11 0.00 0.00 177.39 175.50 2jri s LEU 137 N -0.26 4.40 0.00 -1.96 0.05 -1.13 -4.98 118.68 114.80 2jri s LEU 137 Ca 0.00 0.57 0.30 0.00 0.05 0.00 0.00 54.13 55.04 2jri s LEU 137 Cb 0.00 -2.18 1.40 0.00 -2.05 0.00 0.00 46.19 43.36 2jri s LEU 137 CO 0.00 0.38 1.96 1.07 -0.55 0.00 0.00 176.35 179.21 2jri n THR 138 N 2.01 0.00 -3.54 5.48 5.66 -1.26 -4.86 114.28 117.77 2jri n THR 138 Ca -0.19 -0.07 -0.16 0.00 -3.05 0.00 0.00 64.05 60.59 2jri n THR 138 Cb 0.54 -0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.11 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 -2.30 -0.50 0.17 1.09 0.00 -1.26 -5.13 107.32 99.38 2jri s GLY 139 Ca 0.35 1.52 -0.33 0.00 0.00 0.00 0.00 44.72 46.26 2jri s GLY 139 CO 0.43 1.01 1.70 -1.05 0.00 0.00 0.00 173.10 175.19 2jri n PRO 140 N 0.94 2.56 -1.50 2.90 -0.02 -1.26 -4.95 135.00 133.66 2jri n PRO 140 Ca -0.17 0.92 -0.34 0.00 -2.02 0.00 0.00 63.50 61.90 2jri n PRO 140 Cb 0.57 -2.75 0.08 0.00 -0.02 0.00 0.00 33.50 31.38 2jri n PRO 140 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jri s GLU 141 N 1.42 2.30 -0.47 -0.52 2.02 -1.14 -4.90 118.70 117.39 2jri s GLU 141 Ca 0.78 1.63 0.03 0.00 0.02 0.00 0.00 54.97 57.43 2jri s GLU 141 Cb -0.57 -1.87 0.15 0.00 0.10 0.00 0.00 34.13 31.95 2jri s GLU 141 CO 0.35 -1.69 0.30 -1.17 0.02 0.00 0.00 175.26 173.08 2jri s LEU 142 N -5.13 2.56 -0.13 1.80 2.96 -1.25 -3.84 118.68 115.66 2jri s LEU 142 Ca 0.72 -2.89 -0.23 0.00 -0.22 0.00 0.00 54.13 51.50 2jri s LEU 142 Cb -0.26 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 2jri s LEU 142 CO 0.45 -0.22 0.70 -0.63 -1.32 0.00 0.00 176.35 175.33 2jri s ILE 143 N 0.05 5.01 0.77 6.68 1.01 -0.89 -4.98 121.20 128.85 2jri s ILE 143 Ca 0.23 1.40 -0.11 0.00 0.00 0.00 0.00 60.65 62.17 2jri s ILE 143 Cb -0.14 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.37 2jri s ILE 143 CO -0.07 0.16 1.13 -0.44 0.00 0.00 0.00 174.94 175.72 2jri s SER 144 N 0.98 4.74 0.07 3.58 0.01 -1.26 -3.53 113.70 118.29 2jri s SER 144 Ca 0.35 0.79 -0.33 0.00 1.31 0.00 0.00 55.95 58.07 2jri s SER 144 Cb -0.17 -1.37 -0.16 0.00 0.21 0.00 0.00 66.02 64.53 2jri s SER 144 CO 0.14 -1.75 1.51 0.44 0.41 0.00 0.00 173.24 174.00 2jri h ASP 145 N -0.90 -1.24 -0.18 2.44 5.19 -1.97 0.19 116.42 119.95 2jri h ASP 145 Ca -0.46 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.00 2jri h ASP 145 Cb 1.31 0.40 -0.02 0.00 0.18 0.00 0.00 39.33 41.20 2jri h ASP 145 CO 0.65 -0.64 -0.03 0.74 -3.12 0.00 0.00 179.24 176.84 2jri h THR 146 N -0.98 1.19 -0.17 0.35 2.02 -2.01 -2.45 112.91 110.85 2jri h THR 146 Ca -0.07 -0.79 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 2jri h THR 146 Cb 0.83 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2jri h THR 146 CO -0.01 0.26 -0.38 0.22 0.37 0.00 0.00 175.52 175.98 2jri h TYR 147 N 0.45 0.44 -0.87 3.16 3.20 -1.88 -2.97 116.97 118.50 2jri h TYR 147 Ca 0.10 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jri h TYR 147 Cb 0.34 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2jri h TYR 147 CO 0.01 0.71 0.53 1.25 -1.64 0.00 0.00 178.16 179.02 2jri h LEU 148 N 0.32 1.05 -0.77 2.82 5.85 -0.13 0.31 115.31 124.75 2jri h LEU 148 Ca 0.03 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2jri h LEU 148 Cb 0.82 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2jri h LEU 148 CO 0.07 0.80 0.48 0.00 -0.34 0.00 0.00 178.44 179.45 2jri h ALA 149 N 1.29 1.02 -0.10 1.25 0.00 -1.45 0.17 119.26 121.43 2jri h ALA 149 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2jri h ALA 149 Cb -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2jri h ALA 149 CO -0.06 0.26 -0.29 1.25 0.00 0.00 0.00 179.25 180.41 2jri h LEU 150 N 0.92 0.43 -0.40 0.00 5.85 -1.35 -2.79 115.31 117.97 2jri h LEU 150 Ca 0.32 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.48 2jri h LEU 150 Cb 0.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2jri h LEU 150 CO -0.13 0.96 0.15 0.15 -0.34 0.00 0.00 178.44 179.23 2jri h PHE 151 N -0.06 0.27 -0.65 1.25 3.57 -0.04 0.27 116.94 121.55 2jri h PHE 151 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2jri h PHE 151 Cb 0.91 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2jri h PHE 151 CO 0.11 0.11 0.38 -0.07 -2.23 0.00 0.00 178.31 176.62 2jri h LEU 152 N 0.31 0.78 -0.27 0.59 -0.00 -0.72 -1.82 115.31 114.19 2jri h LEU 152 Ca 0.18 -0.04 -0.21 0.00 -0.00 0.00 0.00 57.88 57.81 2jri h LEU 152 Cb 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2jri h LEU 152 CO -0.18 0.61 -0.81 0.00 -0.00 0.00 0.00 178.44 178.05 2jri h ALA 153 N 1.53 0.45 -0.93 1.53 0.00 -1.03 -3.17 119.26 117.63 2jri h ALA 153 Ca 0.23 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jri h ALA 153 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2jri h ALA 153 CO -0.04 0.76 0.56 1.96 0.00 0.00 0.00 179.25 182.48 2jri h GLN 154 N 0.33 1.26 -0.84 0.00 1.08 0.17 -2.15 115.11 114.97 2jri h GLN 154 Ca -0.05 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2jri h GLN 154 Cb 1.42 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 2jri h GLN 154 CO 0.15 0.88 0.47 -0.07 -0.95 0.00 0.00 178.83 179.31 2jri h LEU 155 N 1.28 1.04 -0.39 1.46 3.38 -1.35 0.30 115.31 121.04 2jri h LEU 155 Ca 0.33 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2jri h LEU 155 Cb -0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2jri h LEU 155 CO -0.06 0.83 0.10 1.56 0.09 0.00 0.00 178.44 180.96 2jri h GLN 156 N 1.16 0.61 -0.28 1.13 4.20 -1.41 0.43 115.11 120.96 2jri h GLN 156 Ca 0.30 -0.14 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 2jri h GLN 156 Cb 0.01 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 2jri h GLN 156 CO -0.05 0.63 -0.55 1.96 -0.67 0.00 0.00 178.83 180.16 2jri h GLN 157 N 0.48 0.84 -0.85 1.46 4.20 -1.10 -3.17 115.11 116.97 2jri h GLN 157 Ca 0.12 -0.53 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 2jri h GLN 157 Cb 0.29 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 2jri h GLN 157 CO -0.00 1.16 0.45 1.49 -0.67 0.00 0.00 178.83 181.26 2jri h GLU 158 N 0.64 1.19 0.00 1.46 4.57 -0.30 -3.47 114.58 118.68 2jri h GLU 158 Ca 0.01 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 2jri h GLU 158 Cb 1.15 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2jri h GLU 158 CO 0.12 0.88 0.00 0.41 -1.18 0.00 0.00 179.01 179.24 2jri n GLY 159 N -1.09 1.44 0.00 1.92 0.00 -0.54 -5.08 105.19 101.84 2jri n GLY 159 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2jri n GLY 159 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jri n TYR 160 N -0.13 0.00 -3.22 1.61 4.02 0.03 -4.84 117.16 114.63 2jri n TYR 160 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 2jri n TYR 160 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 2jri n TYR 160 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2jri s SER 161 N -1.00 0.09 -0.43 7.72 0.01 -0.58 -4.89 113.70 114.62 2jri s SER 161 Ca 0.00 -1.63 -0.29 0.00 1.31 0.00 0.00 55.95 55.34 2jri s SER 161 Cb 0.00 1.00 0.01 0.00 0.21 0.00 0.00 66.02 67.24 2jri s SER 161 CO 0.00 -0.19 1.46 -0.63 0.41 0.00 0.00 173.24 174.30 2jri s ILE 162 N 1.23 3.83 -0.46 1.44 1.01 -1.26 -2.63 121.20 124.36 2jri s ILE 162 Ca 0.21 0.82 -0.11 0.00 0.00 0.00 0.00 60.65 61.57 2jri s ILE 162 Cb -0.08 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.31 2jri s ILE 162 CO -0.06 -0.80 0.33 -0.36 0.00 0.00 0.00 174.94 174.06 2jri s PHE 163 N 5.79 3.35 0.04 3.97 0.08 0.15 -0.36 117.98 131.00 2jri s PHE 163 Ca 0.62 -1.56 -0.19 0.00 0.12 0.00 0.00 56.93 55.91 2jri s PHE 163 Cb -0.14 -3.28 -0.06 0.00 -0.57 0.00 0.00 43.02 38.97 2jri s PHE 163 CO 0.31 -0.92 0.55 0.54 -0.10 0.00 0.00 175.22 175.61 2jri s VAL 164 N 1.45 4.82 -0.34 -0.44 0.11 0.93 -0.52 120.40 126.41 2jri s VAL 164 Ca 0.04 1.18 -0.14 0.00 -2.93 0.00 0.00 61.98 60.13 2jri s VAL 164 Cb -0.25 -3.88 -0.02 0.00 -1.53 0.00 0.00 36.38 30.70 2jri s VAL 164 CO 0.02 0.52 0.29 -0.69 -3.33 0.00 0.00 175.10 171.90 2jri s VAL 165 N -0.86 5.24 0.02 2.04 1.01 -1.24 -0.22 120.40 126.40 2jri s VAL 165 Ca 0.29 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 2jri s VAL 165 Cb -0.19 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2jri s VAL 165 CO 0.18 -0.03 0.39 -0.54 0.00 0.00 0.00 175.10 175.10 2jri s LYS 166 N 1.84 3.82 0.00 2.72 -0.14 1.00 -4.59 119.74 124.39 2jri s LYS 166 Ca 0.08 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 2jri s LYS 166 Cb -0.17 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 2jri s LYS 166 CO 0.11 0.65 0.00 0.41 -0.76 0.00 0.00 175.35 175.76 2jri n GLY 167 N 1.48 0.11 2.88 -3.33 0.00 -1.26 -2.22 105.19 102.85 2jri n GLY 167 Ca -0.12 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 2jri n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jri s ASP 168 N -4.00 2.75 -0.04 1.61 2.15 -1.26 -5.01 116.67 112.87 2jri s ASP 168 Ca 0.00 -0.63 -0.08 0.00 0.43 0.00 0.00 52.55 52.27 2jri s ASP 168 Cb 0.00 -0.87 -0.05 0.00 -0.30 0.00 0.00 42.92 41.70 2jri s ASP 168 CO 0.00 -0.19 0.23 -0.76 -0.17 0.00 0.00 175.17 174.29 2jri s LEU 169 N 1.66 4.39 0.27 -1.34 1.02 -1.26 -4.98 118.68 118.44 2jri s LEU 169 Ca 0.01 0.57 -0.30 0.00 0.02 0.00 0.00 54.13 54.43 2jri s LEU 169 Cb -0.15 -2.43 -0.13 0.00 0.02 0.00 0.00 46.19 43.50 2jri s LEU 169 CO -0.08 0.32 1.37 -0.81 0.02 0.00 0.00 176.35 177.18 2jri n PRO 170 N 1.53 2.06 -3.14 1.29 -0.04 -1.26 -5.01 135.00 130.43 2jri n PRO 170 Ca -0.15 0.73 -0.17 0.00 -0.04 0.00 0.00 63.50 63.87 2jri n PRO 170 Cb 0.54 -2.36 -0.01 0.00 -0.04 0.00 0.00 33.50 31.62 2jri n PRO 170 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2jri n ASP 171 N 1.75 2.33 -1.59 3.54 5.75 -1.26 -4.76 116.55 122.31 2jri n ASP 171 Ca 0.10 -2.21 -0.03 0.00 -0.01 0.00 0.00 54.79 52.63 2jri n ASP 171 Cb 0.33 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 2jri n ASP 171 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jri h GLU 173 N 0.00 0.30 -0.60 0.00 4.57 -1.94 -2.46 114.58 114.45 2jri h GLU 173 Ca -0.10 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.18 2jri h GLU 173 Cb 0.39 -0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 28.82 2jri h GLU 173 CO 0.13 0.20 0.04 0.00 -1.18 0.00 0.00 179.01 178.20 2jri h ALA 174 N 1.77 0.62 -0.01 2.92 0.00 -1.96 0.20 119.26 122.80 2jri h ALA 174 Ca 0.20 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2jri h ALA 174 Cb 0.39 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2jri h ALA 174 CO -0.04 -0.37 -0.05 0.22 0.00 0.00 0.00 179.25 179.01 2jri h ASP 175 N 0.16 0.06 -0.44 0.00 1.82 -1.76 -3.10 116.42 113.16 2jri h ASP 175 Ca 0.31 -0.63 0.13 0.00 -0.39 0.00 0.00 57.03 56.45 2jri h ASP 175 Cb 0.49 -0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 2jri h ASP 175 CO -0.48 0.68 0.33 1.56 -1.61 0.00 0.00 179.24 179.72 2jri h GLN 176 N -0.55 0.00 0.00 0.28 4.20 -1.23 -0.87 115.11 116.94 2jri h GLN 176 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jri h GLN 176 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jri h GLN 176 CO 0.01 0.00 -0.59 1.37 -0.67 0.00 0.00 178.83 178.95 2jri h LEU 177 N 0.00 0.00 -3.26 1.46 8.10 -0.65 -3.36 115.31 117.61 2jri h LEU 177 Ca 0.21 -0.07 -0.10 0.00 0.11 0.00 0.00 57.88 58.03 2jri h LEU 177 Cb 0.86 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.04 2jri h LEU 177 CO -0.00 0.04 0.05 -0.11 -4.11 0.00 0.00 178.44 174.31 2jri n LEU 178 N -2.53 5.60 -0.03 0.17 -0.00 -0.35 -3.66 117.00 116.19 2jri n LEU 178 Ca 0.02 -2.73 0.06 0.00 -0.00 0.00 0.00 56.01 53.37 2jri n LEU 178 Cb 0.50 -1.15 -0.07 0.00 -0.00 0.00 0.00 43.42 42.70 2jri n LEU 178 CO 0.37 1.15 -0.00 0.00 -0.00 0.00 0.00 177.39 178.91 2jri n GLN 179 N 1.36 2.46 -2.03 1.96 1.13 -1.26 -4.03 117.38 116.98 2jri n GLN 179 Ca 0.12 -0.08 -0.03 0.00 -1.94 0.00 0.00 57.00 55.07 2jri n GLN 179 Cb 0.56 -1.15 0.06 0.00 0.11 0.00 0.00 30.24 29.83 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 -1.20 1.66 -4.49 -1.09 0.00 -1.24 -5.05 117.12 105.72 2jri n MET 180 Ca 0.03 -3.23 -0.34 0.00 0.00 0.00 0.00 57.70 54.16 2jri n MET 180 Cb 0.22 -1.34 -0.14 0.00 0.00 0.00 0.00 33.22 31.96 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 -2.92 3.18 0.00 3.17 -1.09 -1.26 -5.13 121.20 117.15 2jri s ILE 181 Ca 0.35 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 2jri s ILE 181 Cb 0.36 -2.37 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2jri s ILE 181 CO -0.06 0.50 0.00 -1.14 -1.23 0.00 0.00 174.94 173.01