#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 -3.84 2.12 4.71 -1.26 -4.97 120.64 117.41 2jri n GLU 2 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.87 2jri n GLU 2 Cb 0.00 -0.06 -0.12 0.00 -1.01 0.00 0.00 31.44 30.25 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 -2.18 4.39 -0.12 1.62 0.01 -1.26 -5.07 113.70 111.09 2jri s SER 3 Ca 0.00 -3.71 -0.01 0.00 1.31 0.00 0.00 55.95 53.54 2jri s SER 3 Cb 0.00 -1.48 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2jri s SER 3 CO 0.00 -0.10 -0.08 -0.63 0.41 0.00 0.00 173.24 172.84 2jri s ILE 4 N -1.20 3.54 -1.15 1.44 1.01 -1.26 -5.02 121.20 118.56 2jri s ILE 4 Ca 0.25 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.20 2jri s ILE 4 Cb -0.05 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.98 2jri s ILE 4 CO -0.16 0.53 1.61 -0.36 0.00 0.00 0.00 174.94 176.56 2jri s PHE 5 N 0.01 2.61 -1.07 3.97 0.08 -1.26 -4.88 117.98 117.44 2jri s PHE 5 Ca -0.01 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 55.84 2jri s PHE 5 Cb -0.14 -4.69 0.28 0.00 -0.57 0.00 0.00 43.02 37.90 2jri s PHE 5 CO 0.03 -1.86 1.12 1.58 -0.10 0.00 0.00 175.22 176.00 2jri n HIS 6 N 8.93 4.60 -2.34 0.36 -0.00 -1.26 -4.49 115.22 121.03 2jri n HIS 6 Ca 0.41 -3.74 -0.42 0.00 0.46 0.00 0.00 57.72 54.43 2jri n HIS 6 Cb 0.48 -1.53 -0.03 0.00 -0.12 0.00 0.00 29.99 28.80 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 -1.58 4.33 -0.05 1.57 0.41 -1.26 -5.02 118.70 117.09 2jri s GLU 7 Ca 0.31 1.82 0.04 0.00 -0.41 0.00 0.00 54.97 56.73 2jri s GLU 7 Cb -0.07 -3.53 -0.00 0.00 -1.78 0.00 0.00 34.13 28.75 2jri s GLU 7 CO -0.06 -0.48 -0.18 0.21 -0.49 0.00 0.00 175.26 174.26 2jri s LYS 8 N 2.14 1.92 0.17 1.61 2.47 -1.26 -4.81 119.74 121.97 2jri s LYS 8 Ca 0.60 -0.63 -0.10 0.00 -1.56 0.00 0.00 55.97 54.28 2jri s LYS 8 Cb -0.28 -1.64 -0.01 0.00 -1.46 0.00 0.00 37.83 34.44 2jri s LYS 8 CO 0.25 0.23 0.30 1.14 0.16 0.00 0.00 175.35 177.44 2jri s GLN 9 N 0.09 1.17 -0.06 4.03 0.00 -1.26 -5.12 119.66 118.52 2jri s GLN 9 Ca -0.06 -1.14 -0.06 0.00 -0.00 0.00 0.00 55.36 54.10 2jri s GLN 9 Cb -0.12 0.39 0.01 0.00 0.00 0.00 0.00 33.01 33.29 2jri s GLN 9 CO 0.03 -0.43 0.16 -1.21 0.00 0.00 0.00 175.29 173.83 2jri s GLU 10 N -3.96 0.21 0.00 9.60 2.02 -1.26 -4.98 118.70 120.33 2jri s GLU 10 Ca 0.16 0.18 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2jri s GLU 10 Cb 0.03 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.36 2jri s GLU 10 CO -0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2jri n GLY 11 N 2.88 0.84 7.00 -1.39 0.00 -1.26 -5.02 105.19 108.24 2jri n GLY 11 Ca -0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -3.73 -3.60 1.61 7.64 -1.26 -4.94 113.62 109.35 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 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 -3.44 0.28 -3.43 7.99 -0.76 -4.88 117.00 112.76 2jri n LEU 13 Ca 0.00 -0.57 0.13 0.00 -0.01 0.00 0.00 56.01 55.57 2jri n LEU 13 Cb 0.00 -3.02 0.82 0.00 -0.11 0.00 0.00 43.42 41.11 2jri n LEU 13 CO 0.00 0.61 1.07 0.00 -1.51 0.00 0.00 177.39 177.56 2jri h ALA 15 N 1.95 1.74 0.00 0.00 0.00 -1.94 0.15 119.26 121.16 2jri h ALA 15 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jri h ALA 15 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jri h ALA 15 CO 0.01 0.02 0.00 0.94 0.00 0.00 0.00 179.25 180.22 2jri n GLN 16 N -4.17 0.53 -0.02 0.00 0.00 -0.60 -2.60 117.38 110.52 2jri n GLN 16 Ca -0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 57.00 56.98 2jri n GLN 16 Cb 0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.83 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2jri n HIS 17 N -1.14 0.00 -0.33 3.69 -0.00 0.48 -4.29 115.22 113.62 2jri n HIS 17 Ca 0.14 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.37 2jri n HIS 17 Cb 0.13 -0.14 0.19 0.00 -0.12 0.00 0.00 29.99 30.06 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 0.95 -0.27 -1.36 0.00 5.85 -1.75 -2.31 115.31 116.41 2jri h LEU 19 Ca 0.44 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2jri h LEU 19 Cb 0.36 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2jri h LEU 19 CO -0.24 0.23 0.46 0.78 -0.34 0.00 0.00 178.44 179.34 2jri h ASN 20 N -0.93 0.70 0.21 1.25 2.35 -1.71 -1.35 115.58 116.10 2jri h ASN 20 Ca -0.03 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.49 2jri h ASN 20 Cb 0.49 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2jri h ASN 20 CO 0.05 0.48 -0.89 0.78 -1.65 0.00 0.00 177.43 176.20 2jri h ASN 21 N 0.81 0.63 -0.36 5.81 2.35 -1.30 -1.10 115.58 122.42 2jri h ASN 21 Ca 0.29 -0.47 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2jri h ASN 21 Cb 0.11 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2jri h ASN 21 CO -0.08 1.26 -0.03 0.25 -1.65 0.00 0.00 177.43 177.18 2jri h LEU 22 N 0.30 0.64 -0.12 1.61 7.12 -0.81 -2.97 115.31 121.09 2jri h LEU 22 Ca -0.07 -0.33 0.00 0.00 0.13 0.00 0.00 57.88 57.61 2jri h LEU 22 Cb 1.52 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.47 2jri h LEU 22 CO 0.16 0.82 -0.30 0.18 -0.13 0.00 0.00 178.44 179.16 2jri n LEU 23 N -4.47 0.49 -3.35 2.25 4.77 -0.56 -4.97 117.00 111.17 2jri n LEU 23 Ca -0.02 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.84 2jri n LEU 23 Cb 0.30 -0.26 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 2jri n LEU 23 CO 0.40 0.11 0.04 0.00 -1.33 0.00 0.00 177.39 176.61 2jri n GLN 24 N -1.27 -3.47 0.00 3.23 1.13 -0.52 -4.76 117.38 111.72 2jri n GLN 24 Ca 0.08 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 2jri n GLN 24 Cb 0.33 -5.70 0.00 0.00 0.11 0.00 0.00 30.24 24.98 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 -1.25 0.35 3.48 1.08 0.00 -0.62 -4.87 105.19 103.37 2jri n GLY 25 Ca -0.14 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.83 3.21 0.00 1.61 2.02 -1.26 -4.49 118.70 117.96 2jri s GLU 26 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.38 2jri s GLU 26 Cb 0.00 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 30.13 2jri s GLU 26 CO 0.00 -1.44 0.00 0.66 0.02 0.00 0.00 175.26 174.50 2jri n TYR 27 N 6.99 0.00 -3.18 1.61 4.02 -1.26 -5.02 117.16 120.32 2jri n TYR 27 Ca -0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.48 2jri n TYR 27 Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.73 2jri n TYR 27 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 2jri s PHE 28 N 0.00 3.49 0.37 -0.72 5.36 -1.26 -5.06 117.98 120.16 2jri s PHE 28 Ca 0.00 1.00 -0.18 0.00 -0.96 0.00 0.00 56.93 56.79 2jri s PHE 28 Cb 0.00 -2.69 -0.10 0.00 -0.34 0.00 0.00 43.02 39.89 2jri s PHE 28 CO 0.00 0.05 0.85 -1.12 -1.46 0.00 0.00 175.22 173.54 2jri s SER 29 N 0.83 6.88 0.26 6.13 0.01 -1.26 -4.94 113.70 121.62 2jri s SER 29 Ca 0.30 1.51 -0.01 0.00 1.31 0.00 0.00 55.95 59.05 2jri s SER 29 Cb -0.16 -2.46 0.54 0.00 0.21 0.00 0.00 66.02 64.15 2jri s SER 29 CO 0.13 -0.27 1.73 -0.65 0.41 0.00 0.00 173.24 174.58 2jri h PRO 30 N 2.15 0.46 -0.24 12.44 0.11 -1.97 -0.33 132.00 144.61 2jri h PRO 30 Ca -0.48 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 2jri h PRO 30 Cb 1.18 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2jri h PRO 30 CO 0.63 0.30 0.17 -0.24 -0.21 0.00 0.00 178.00 178.65 2jri h VAL 31 N 0.47 0.98 -0.23 3.15 3.04 -2.00 -1.64 116.25 120.02 2jri h VAL 31 Ca 0.46 -0.07 -0.20 0.00 -1.01 0.00 0.00 66.70 65.89 2jri h VAL 31 Cb 0.74 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2jri h VAL 31 CO -0.43 0.04 -0.62 -0.33 -1.01 0.00 0.00 177.57 175.22 2jri h GLU 32 N 0.19 0.83 -0.88 4.17 5.08 -1.45 -2.06 114.58 120.47 2jri h GLU 32 Ca 0.10 -0.58 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2jri h GLU 32 Cb 0.17 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 2jri h GLU 32 CO -0.02 1.21 0.58 -0.07 -1.00 0.00 0.00 179.01 179.71 2jri h LEU 33 N 0.59 1.01 -0.68 1.33 3.38 -1.02 0.19 115.31 120.12 2jri h LEU 33 Ca -0.01 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 2jri h LEU 33 Cb 1.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2jri h LEU 33 CO 0.13 0.73 -0.51 0.28 0.09 0.00 0.00 178.44 179.16 2jri h SER 34 N 1.19 0.43 -0.16 -0.43 0.02 -1.35 -2.82 113.55 110.42 2jri h SER 34 Ca 0.33 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.84 2jri h SER 34 Cb -0.12 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.30 2jri h SER 34 CO -0.07 0.87 -0.76 0.28 -1.14 0.00 0.00 176.83 176.00 2jri h SER 35 N 0.31 0.95 0.89 3.07 0.02 -0.50 -3.04 113.55 115.25 2jri h SER 35 Ca 0.01 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2jri h SER 35 Cb 1.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2jri h SER 35 CO 0.09 1.42 0.00 0.16 -1.14 0.00 0.00 176.83 177.36 2jri h ILE 36 N 0.55 0.00 -0.58 3.27 3.07 -0.66 -2.66 117.51 120.50 2jri h ILE 36 Ca -0.05 -0.39 -0.09 0.00 1.55 0.00 0.00 64.86 65.88 2jri h ILE 36 Cb 1.39 1.27 -0.02 0.00 -0.27 0.00 0.00 36.82 39.19 2jri h ILE 36 CO 0.16 0.00 -0.01 0.00 -1.05 0.00 0.00 178.15 177.25 2jri h ALA 37 N 2.12 0.78 0.00 0.16 0.00 -1.38 -2.37 119.26 118.57 2jri h ALA 37 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jri h ALA 37 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jri h ALA 37 CO 0.00 0.62 0.00 1.25 0.00 0.00 0.00 179.25 181.12 2jri h HIS 38 N 0.92 0.00 -0.15 0.00 2.76 -1.54 -2.38 115.15 114.76 2jri h HIS 38 Ca 0.16 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 2jri h HIS 38 Cb 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2jri h HIS 38 CO 0.04 0.00 -0.31 0.37 -1.30 0.00 0.00 177.93 176.73 2jri h GLN 39 N 0.00 0.28 0.00 5.26 5.75 -1.38 -1.61 115.11 123.41 2jri h GLN 39 Ca 0.00 -0.11 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 2jri h GLN 39 Cb 0.60 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 2jri h GLN 39 CO 0.00 0.57 -0.46 1.25 -2.65 0.00 0.00 178.83 177.54 2jri h LEU 40 N 0.25 0.00 -1.00 -2.39 7.12 -1.35 -2.65 115.31 115.30 2jri h LEU 40 Ca 0.03 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 2jri h LEU 40 Cb 0.67 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 2jri h LEU 40 CO 0.05 0.46 0.42 -0.78 -0.13 0.00 0.00 178.44 178.46 2jri h ASP 41 N 0.00 1.01 -0.52 1.25 1.82 -1.25 0.31 116.42 119.04 2jri h ASP 41 Ca -0.00 -0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2jri h ASP 41 Cb 0.94 -0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.65 2jri h ASP 41 CO 0.06 0.83 0.28 -0.08 -1.61 0.00 0.00 179.24 178.72 2jri h GLU 42 N 1.12 0.54 -0.26 0.28 4.57 -1.22 0.31 114.58 119.93 2jri h GLU 42 Ca 0.28 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.29 2jri h GLU 42 Cb 0.06 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2jri h GLU 42 CO -0.04 0.36 -0.41 0.93 -1.18 0.00 0.00 179.01 178.67 2jri h GLU 43 N 0.56 0.62 -0.81 1.92 5.08 -1.28 -2.65 114.58 118.02 2jri h GLU 43 Ca 0.22 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2jri h GLU 43 Cb 0.09 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2jri h GLU 43 CO -0.13 0.91 0.44 0.93 -1.00 0.00 0.00 179.01 180.17 2jri h GLU 44 N 0.51 1.13 -0.67 2.33 4.39 0.32 -0.20 114.58 122.38 2jri h GLU 44 Ca 0.04 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2jri h GLU 44 Cb 0.92 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2jri h GLU 44 CO 0.08 0.83 0.30 -0.09 -1.16 0.00 0.00 179.01 178.97 2jri h ARG 45 N 1.13 0.99 -0.66 2.33 2.43 -0.82 0.56 114.38 120.33 2jri h ARG 45 Ca 0.29 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2jri h ARG 45 Cb 0.03 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2jri h ARG 45 CO -0.05 0.80 0.40 0.52 -1.51 0.00 0.00 179.97 180.13 2jri h MET 46 N 0.94 0.90 -0.60 0.20 2.86 -1.05 0.13 114.93 118.32 2jri h MET 46 Ca 0.23 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2jri h MET 46 Cb 0.16 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 2jri h MET 46 CO -0.02 0.64 0.21 -0.09 1.06 0.00 0.00 176.91 178.71 2jri h ARG 47 N 0.90 0.88 -0.24 1.72 1.12 -0.52 -2.57 114.38 115.67 2jri h ARG 47 Ca 0.24 -0.15 -0.19 0.00 -1.11 0.00 0.00 59.98 58.76 2jri h ARG 47 Cb -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.79 2jri h ARG 47 CO -0.04 0.75 -0.61 1.98 -3.11 0.00 0.00 179.97 178.93 2jri h MET 48 N 0.87 0.82 0.00 0.20 4.05 -0.15 -2.92 114.93 117.80 2jri h MET 48 Ca 0.20 -0.56 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2jri h MET 48 Cb 0.22 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2jri h MET 48 CO -0.01 1.19 0.00 0.00 0.23 0.00 0.00 176.91 178.31 2jri h ALA 49 N 0.68 1.00 -0.00 0.39 0.00 -0.41 -0.16 119.26 120.76 2jri h ALA 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jri h ALA 49 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2jri h ALA 49 CO 0.13 0.00 -0.15 -1.91 0.00 0.00 0.00 179.25 177.32 2jri n GLU 50 N -2.78 0.20 -2.72 0.00 4.07 -1.00 -4.45 120.64 113.96 2jri n GLU 50 Ca -0.01 -0.06 -0.07 0.00 -0.06 0.00 0.00 57.16 56.96 2jri n GLU 50 Cb 0.15 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.10 2jri n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jri n GLY 51 N 1.43 -0.11 2.91 8.31 0.00 -0.12 -5.11 105.19 112.49 2jri n GLY 51 Ca 0.09 0.27 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.18 1.04 -0.02 -0.02 0.00 -0.91 -4.93 107.32 101.30 2jri s GLY 52 Ca 0.26 -0.95 0.19 0.00 0.00 0.00 0.00 44.72 44.22 2jri s GLY 52 CO -0.14 0.92 0.48 3.33 0.00 0.00 0.00 173.10 177.68 2jri n VAL 53 N 4.83 0.00 -4.28 1.40 0.24 -1.26 -4.91 118.33 114.35 2jri n VAL 53 Ca -0.12 -0.37 -0.34 0.00 -2.04 0.00 0.00 64.34 61.46 2jri n VAL 53 Cb 0.47 0.22 -0.13 0.00 -1.47 0.00 0.00 33.84 32.94 2jri n VAL 53 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jri s THR 54 N -3.23 3.78 0.25 3.34 2.01 -1.26 -4.99 115.64 115.55 2jri s THR 54 Ca -0.05 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2jri s THR 54 Cb 0.12 -2.68 0.18 0.00 0.01 0.00 0.00 72.50 70.13 2jri s THR 54 CO 0.79 0.47 1.83 0.28 -0.69 0.00 0.00 174.62 177.29 2jri h SER 55 N 7.10 0.95 -0.64 3.53 0.02 -2.00 -2.08 113.55 120.43 2jri h SER 55 Ca -0.33 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 2jri h SER 55 Cb 1.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 2jri h SER 55 CO 0.61 0.84 0.30 -0.33 -1.14 0.00 0.00 176.83 177.12 2jri h GLU 56 N 1.02 0.96 -0.58 3.45 3.07 -1.99 -1.68 114.58 118.83 2jri h GLU 56 Ca 0.24 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.94 2jri h GLU 56 Cb 0.19 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 2jri h GLU 56 CO -0.02 0.76 0.29 -0.44 -1.40 0.00 0.00 179.01 178.20 2jri h ASP 57 N 0.95 0.74 -0.57 1.42 5.19 -1.81 0.14 116.42 122.48 2jri h ASP 57 Ca 0.23 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 2jri h ASP 57 Cb 0.13 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2jri h ASP 57 CO -0.03 0.65 0.30 0.22 -3.12 0.00 0.00 179.24 177.26 2jri h TYR 58 N 0.78 0.80 -0.39 4.55 3.20 -0.99 -1.15 116.97 123.76 2jri h TYR 58 Ca 0.20 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 2jri h TYR 58 Cb 0.09 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2jri h TYR 58 CO -0.01 0.60 0.08 0.00 -1.64 0.00 0.00 178.16 177.20 2jri h ARG 59 N 0.77 0.64 0.00 1.82 3.08 -0.88 -2.20 114.38 117.61 2jri h ARG 59 Ca 0.20 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2jri h ARG 59 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jri h ARG 59 CO -0.03 0.67 0.00 1.79 -1.07 0.00 0.00 179.97 181.33 2jri h THR 60 N 0.49 0.00 0.00 2.04 1.35 -0.49 -0.91 112.91 115.38 2jri h THR 60 Ca 0.12 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2jri h THR 60 Cb 0.33 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2jri h THR 60 CO 0.00 0.00 -0.18 0.15 -0.25 0.00 0.00 175.52 175.24 2jri h PHE 61 N 0.00 0.00 0.01 4.73 3.57 -0.58 -2.14 116.94 122.53 2jri h PHE 61 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 2jri h PHE 61 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2jri h PHE 61 CO 0.00 0.00 -0.92 -0.07 -2.23 0.00 0.00 178.31 175.09 2jri h LEU 62 N 0.00 0.14 -3.47 0.59 3.38 -0.89 -3.12 115.31 111.93 2jri h LEU 62 Ca 0.00 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2jri h LEU 62 Cb 0.95 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2jri h LEU 62 CO 0.00 0.98 0.09 1.67 0.09 0.00 0.00 178.44 181.28 2jri n GLN 63 N -3.55 3.02 -1.99 1.13 7.27 -1.16 -4.80 117.38 117.30 2jri n GLN 63 Ca -0.02 -3.02 -0.42 0.00 0.07 0.00 0.00 57.00 53.61 2jri n GLN 63 Cb 0.85 -1.99 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.99 4.25 0.40 3.69 2.00 -0.81 -4.92 119.66 121.29 2jri s GLN 64 Ca 0.48 2.31 -0.25 0.00 -2.00 0.00 0.00 55.36 55.91 2jri s GLN 64 Cb 0.40 -3.13 -0.11 0.00 0.80 0.00 0.00 33.01 30.97 2jri s GLN 64 CO 0.09 -0.48 1.01 -2.30 -0.50 0.00 0.00 175.29 173.11 2jri n PRO 65 N 2.89 1.37 0.00 1.67 -0.02 -1.26 -1.67 135.00 137.97 2jri n PRO 65 Ca 0.09 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2jri n PRO 65 Cb 0.40 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.60 0.00 -0.04 2.55 7.64 -1.26 -4.71 113.62 118.39 2jri n SER 66 Ca 0.09 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.87 2jri n SER 66 Cb 0.38 -0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.75 0.55 0.23 0.00 -1.61 -3.18 103.07 99.80 2jri h GLY 67 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 2jri h GLY 67 CO 0.00 0.71 -0.05 3.43 0.00 0.00 0.00 176.54 180.63 2jri h ASN 68 N 0.56 0.11 0.00 0.19 2.35 -1.83 -3.33 115.58 113.62 2jri h ASN 68 Ca 0.04 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2jri h ASN 68 Cb 0.98 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2jri h ASN 68 CO 0.09 0.61 0.00 0.80 -1.65 0.00 0.00 177.43 177.28 2jri n MET 69 N -4.75 0.00 0.00 0.81 0.00 -1.20 -4.42 117.12 107.55 2jri n MET 69 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.62 2jri n MET 69 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.52 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2jri n ASP 70 N -2.31 0.00 0.08 6.12 2.03 -1.26 -4.19 116.55 117.03 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 -1.39 0.00 1.67 2.03 -1.26 -4.27 116.55 113.33 2jri n ASP 71 Ca 0.00 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2jri n ASP 71 Cb 0.00 1.61 0.00 0.00 -0.72 0.00 0.00 41.12 42.01 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 -2.80 0.26 -1.12 1.67 7.64 -1.26 -4.97 113.62 113.04 2jri n SER 72 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2jri n SER 72 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 2.29 0.00 0.23 0.00 -1.26 -4.80 105.19 106.65 2jri n GLY 73 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.22 -1.06 -3.73 1.61 3.72 -1.26 -1.82 117.46 115.13 2jri n PHE 74 Ca 0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.37 2jri n PHE 74 Cb 0.64 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.35 -0.42 0.80 1.38 0.08 -1.26 -4.86 117.98 115.06 2jri s PHE 75 Ca 0.00 0.96 -0.12 0.00 0.12 0.00 0.00 56.93 57.90 2jri s PHE 75 Cb 0.00 0.14 0.07 0.00 -0.57 0.00 0.00 43.02 42.66 2jri s PHE 75 CO 0.00 -0.24 1.13 -1.12 -0.10 0.00 0.00 175.22 174.89 2jri s SER 76 N 0.79 4.55 0.58 1.36 0.01 -1.26 -4.94 113.70 114.79 2jri s SER 76 Ca -0.05 1.06 0.32 0.00 1.31 0.00 0.00 55.95 58.59 2jri s SER 76 Cb -0.06 -1.72 1.79 0.00 0.21 0.00 0.00 66.02 66.23 2jri s SER 76 CO -0.06 -1.91 2.21 -0.29 0.41 0.00 0.00 173.24 173.61 2jri h ILE 77 N -1.05 0.43 -0.00 1.44 2.10 -1.96 -2.22 117.51 116.25 2jri h ILE 77 Ca -0.47 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.27 2jri h ILE 77 Cb 1.29 1.13 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2jri h ILE 77 CO 0.63 0.04 0.00 1.56 -1.08 0.00 0.00 178.15 179.30 2jri h GLN 78 N 0.00 0.00 0.00 2.19 7.50 -1.92 -1.36 115.11 121.52 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 0.13 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2jri h GLN 78 CO 0.01 0.00 0.00 1.33 -1.50 0.00 0.00 178.83 178.67 2jri n VAL 79 N -3.54 0.03 -0.06 -0.54 0.24 -0.83 -2.70 118.33 110.92 2jri n VAL 79 Ca -0.03 0.01 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 2jri n VAL 79 Cb 0.08 -0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 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 -1.07 0.69 -0.31 1.34 2.08 -0.52 -3.93 119.36 117.63 2jri n ILE 80 Ca 0.20 -0.20 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 2jri n ILE 80 Cb 0.13 -1.47 0.08 0.00 -0.75 0.00 0.00 39.64 37.63 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 -0.33 1.00 0.82 4.38 0.02 -1.62 -2.15 113.55 115.66 2jri h SER 81 Ca -0.31 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2jri h SER 81 Cb 1.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jri h SER 81 CO -0.15 0.75 -0.45 -3.20 -1.14 0.00 0.00 176.83 172.63 2jri n ASN 82 N -4.46 0.55 -0.29 3.07 5.15 -1.10 -3.71 115.26 114.47 2jri n ASN 82 Ca 0.09 0.09 -0.06 0.00 -0.60 0.00 0.00 54.58 54.10 2jri n ASN 82 Cb 0.04 0.02 0.07 0.00 -0.53 0.00 0.00 39.78 39.37 2jri n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jri h ALA 83 N 2.74 1.04 0.00 5.20 0.00 -1.51 -1.95 119.26 124.78 2jri h ALA 83 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2jri h ALA 83 Cb 0.63 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jri h ALA 83 CO 0.00 0.64 -1.06 -0.07 0.00 0.00 0.00 179.25 178.76 2jri h LEU 84 N 1.15 0.00 -0.52 0.00 -0.00 -1.67 -3.34 115.31 110.94 2jri h LEU 84 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.12 2jri h LEU 84 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 2jri h LEU 84 CO -0.03 0.88 0.21 0.50 -0.00 0.00 0.00 178.44 180.01 2jri h LYS 85 N 0.00 0.77 0.00 1.13 3.64 -1.53 0.21 116.57 120.78 2jri h LYS 85 Ca -0.07 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2jri h LYS 85 Cb 1.73 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2jri h LYS 85 CO 0.10 0.67 -0.09 -0.39 -2.27 0.00 0.00 179.45 177.47 2jri h VAL 86 N 0.69 0.37 0.00 2.00 -1.51 -1.48 -1.40 116.25 114.91 2jri h VAL 86 Ca 0.17 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2jri h VAL 86 Cb 0.18 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2jri h VAL 86 CO -0.02 0.09 -0.43 0.79 -1.23 0.00 0.00 177.57 176.77 2jri n TRP 87 N -3.42 0.14 -0.07 5.19 7.02 -0.96 -4.92 117.44 120.42 2jri n TRP 87 Ca -0.01 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 2jri n TRP 87 Cb 0.25 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 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 1.46 0.96 3.96 6.99 0.00 -0.53 -5.10 105.19 112.94 2jri n GLY 88 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 3.56 0.03 0.99 2.01 0.68 -4.94 118.68 121.01 2jri s LEU 89 Ca 0.00 -0.54 0.06 0.00 0.01 0.00 0.00 54.13 53.66 2jri s LEU 89 Cb 0.00 -2.43 -0.02 0.00 0.01 0.00 0.00 46.19 43.75 2jri s LEU 89 CO 0.00 -0.73 -0.19 -0.70 1.01 0.00 0.00 176.35 175.74 2jri s GLU 90 N -4.28 1.29 -0.22 1.70 2.12 -0.68 -3.63 118.70 115.00 2jri s GLU 90 Ca 0.53 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 2jri s GLU 90 Cb -0.08 -1.36 -0.00 0.00 0.26 0.00 0.00 34.13 32.95 2jri s GLU 90 CO 0.31 0.35 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.15 2jri s LEU 91 N -1.06 2.85 -0.15 2.70 2.96 -1.26 0.59 118.68 125.30 2jri s LEU 91 Ca 0.06 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2jri s LEU 91 Cb -0.08 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.88 2jri s LEU 91 CO 0.01 -0.03 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.28 2jri s ILE 92 N 1.45 3.19 -1.10 6.68 -1.09 0.79 -4.94 121.20 126.17 2jri s ILE 92 Ca 0.05 -0.60 -0.17 0.00 -2.23 0.00 0.00 60.65 57.70 2jri s ILE 92 Cb -0.14 -2.37 0.12 0.00 -1.58 0.00 0.00 42.46 38.50 2jri s ILE 92 CO -0.04 0.50 1.38 -0.22 -1.23 0.00 0.00 174.94 175.34 2jri s LEU 93 N 0.56 4.63 0.56 2.97 2.96 -1.26 -0.31 118.68 128.80 2jri s LEU 93 Ca -0.07 -2.37 0.31 0.00 -0.22 0.00 0.00 54.13 51.78 2jri s LEU 93 Cb -0.15 -2.45 1.68 0.00 0.50 0.00 0.00 46.19 45.76 2jri s LEU 93 CO 0.03 -1.03 2.16 0.15 -1.32 0.00 0.00 176.35 176.34 2jri h PHE 94 N 8.16 0.00 0.00 5.38 3.57 -1.23 -2.26 116.94 130.56 2jri h PHE 94 Ca 0.27 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2jri h PHE 94 Cb 0.94 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 2jri h PHE 94 CO 1.20 0.06 -0.14 -0.97 -2.23 0.00 0.00 178.31 176.23 2jri h ASN 95 N 0.00 0.00 -3.52 0.41 -1.24 -1.86 -3.27 115.58 106.09 2jri h ASN 95 Ca -0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jri h ASN 95 Cb 0.22 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2jri h ASN 95 CO 0.01 0.14 0.41 -0.44 -1.29 0.00 0.00 177.43 176.26 2jri s SER 96 N -6.62 7.39 0.44 1.15 0.01 -0.85 -4.88 113.70 110.33 2jri s SER 96 Ca -0.04 1.88 0.21 0.00 1.31 0.00 0.00 55.95 59.32 2jri s SER 96 Cb 0.15 -2.59 1.18 0.00 0.21 0.00 0.00 66.02 64.96 2jri s SER 96 CO 0.64 -0.16 1.83 -0.65 0.41 0.00 0.00 173.24 175.31 2jri h PRO 97 N 5.64 0.31 0.00 12.44 0.11 -1.88 0.22 132.00 148.85 2jri h PRO 97 Ca -0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 2jri h PRO 97 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jri h PRO 97 CO 0.73 0.21 -0.09 1.05 -0.21 0.00 0.00 178.00 179.69 2jri h GLU 98 N 0.32 0.00 -0.05 1.05 9.09 -1.92 -2.31 114.58 120.77 2jri h GLU 98 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.92 2jri h GLU 98 Cb 1.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.54 2jri h GLU 98 CO -0.18 0.09 0.00 0.66 0.05 0.00 0.00 179.01 179.62 2jri n TYR 99 N -3.67 0.06 1.38 2.06 4.01 0.54 -4.55 117.16 116.98 2jri n TYR 99 Ca -0.02 -0.45 0.13 0.00 -0.16 0.00 0.00 57.90 57.40 2jri n TYR 99 Cb 0.20 -0.04 0.44 0.00 -0.31 0.00 0.00 39.34 39.62 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 -0.31 1.79 -2.48 -0.72 7.27 0.24 -4.18 117.38 119.00 2jri n GLN 100 Ca 0.02 -1.15 -0.26 0.00 0.07 0.00 0.00 57.00 55.68 2jri n GLN 100 Cb 0.25 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.43 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 0.40 3.28 -0.00 3.69 1.85 -1.25 -4.68 116.66 119.95 2jri n ARG 101 Ca 0.18 -4.41 0.10 0.00 -1.00 0.00 0.00 57.85 52.71 2jri n ARG 101 Cb 0.40 -2.18 -0.13 0.00 -1.05 0.00 0.00 32.46 29.50 2jri n ARG 101 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2jri n LEU 102 N -0.46 0.54 -3.51 2.89 -0.00 -1.26 -5.01 117.00 110.19 2jri n LEU 102 Ca 0.37 -0.29 -0.19 0.00 -0.00 0.00 0.00 56.01 55.90 2jri n LEU 102 Cb 0.68 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.17 2jri n LEU 102 CO 0.33 0.13 0.02 0.54 -0.00 0.00 0.00 177.39 178.42 2jri n ARG 103 N -1.77 -5.06 -4.07 1.47 3.00 -1.26 -4.99 116.66 103.97 2jri n ARG 103 Ca 0.01 0.75 -0.32 0.00 -0.01 0.00 0.00 57.85 58.27 2jri n ARG 103 Cb 0.40 -5.52 -0.15 0.00 0.00 0.00 0.00 32.46 27.18 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 -3.48 2.19 -0.14 0.55 1.01 -1.26 -5.08 121.20 114.99 2jri s ILE 104 Ca 0.10 -1.46 -0.34 0.00 0.00 0.00 0.00 60.65 58.94 2jri s ILE 104 Cb -0.02 -2.21 -0.12 0.00 0.01 0.00 0.00 42.46 40.13 2jri s ILE 104 CO 0.77 0.10 1.92 -0.67 0.00 0.00 0.00 174.94 177.06 2jri n ASP 105 N 4.48 3.22 0.16 3.58 2.03 -1.26 -4.86 116.55 123.91 2jri n ASP 105 Ca -0.16 0.88 0.13 0.00 0.52 0.00 0.00 54.79 56.17 2jri n ASP 105 Cb 0.44 -1.35 0.50 0.00 -0.72 0.00 0.00 41.12 39.99 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 9.71 0.00 -0.32 -0.67 0.13 -1.98 -3.13 132.00 135.75 2jri h PRO 106 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 2jri h PRO 106 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jri h PRO 106 CO 0.96 0.00 -0.29 0.82 -0.23 0.00 0.00 178.00 179.26 2jri h ILE 107 N 0.00 1.28 -0.40 -3.56 2.04 -1.91 -2.66 117.51 112.30 2jri h ILE 107 Ca 0.00 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.43 2jri h ILE 107 Cb 0.51 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2jri h ILE 107 CO 0.00 0.46 0.04 -3.20 0.00 0.00 0.00 178.15 175.44 2jri n ASN 108 N -4.09 4.05 -2.17 1.72 5.15 -1.18 -4.91 115.26 113.83 2jri n ASN 108 Ca -0.01 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.33 2jri n ASN 108 Cb 0.46 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 2jri n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jri n GLU 109 N 0.33 0.37 0.01 1.20 -0.58 -1.01 -5.08 120.64 115.88 2jri n GLU 109 Ca 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.93 2jri n GLU 109 Cb 0.90 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.77 2jri n GLU 109 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jri n ARG 110 N -0.76 0.03 -3.62 3.49 0.00 -1.26 -4.89 116.66 109.65 2jri n ARG 110 Ca 0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.85 57.82 2jri n ARG 110 Cb 0.00 -0.55 -0.06 0.00 -0.00 0.00 0.00 32.46 31.85 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 -5.40 -0.89 -0.01 2.89 0.01 -1.26 -1.77 113.70 107.27 2jri s SER 111 Ca -0.02 1.34 0.01 0.00 1.31 0.00 0.00 55.95 58.60 2jri s SER 111 Cb 0.01 1.61 0.01 0.00 0.21 0.00 0.00 66.02 67.85 2jri s SER 111 CO 0.02 -0.20 -0.04 0.72 0.41 0.00 0.00 173.24 174.15 2jri s PHE 112 N 1.97 0.44 -0.11 2.43 -0.71 -0.89 -0.96 117.98 120.15 2jri s PHE 112 Ca -0.08 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2jri s PHE 112 Cb -0.07 -0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.38 2jri s PHE 112 CO -0.19 -0.06 -0.16 0.42 -1.34 0.00 0.00 175.22 173.89 2jri s ILE 113 N 0.27 2.79 0.00 -4.49 1.01 0.24 -1.90 121.20 119.11 2jri s ILE 113 Ca -0.03 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2jri s ILE 113 Cb -0.06 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2jri s ILE 113 CO -0.00 0.54 -0.26 0.00 0.00 0.00 0.00 174.94 175.22 2jri s ASN 115 N -0.83 3.44 -0.48 0.00 2.20 -1.18 0.11 114.94 118.20 2jri s ASN 115 Ca 0.10 -0.78 0.07 0.00 -0.94 0.00 0.00 52.86 51.31 2jri s ASN 115 Cb -0.10 -0.28 0.39 0.00 -2.00 0.00 0.00 41.25 39.26 2jri s ASN 115 CO 0.00 0.15 1.01 0.00 -2.94 0.00 0.00 177.10 175.32 2jri n TYR 116 N 0.58 3.20 0.00 1.54 9.36 0.36 -1.82 117.16 130.38 2jri n TYR 116 Ca -0.15 -3.48 0.00 0.00 3.32 0.00 0.00 57.90 57.59 2jri n TYR 116 Cb 0.54 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.96 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 -0.29 0.00 -0.01 2.98 3.00 -1.26 -4.10 118.16 118.48 2jri n LYS 117 Ca 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.62 2jri n LYS 117 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 35.03 35.58 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 0.03 -3.74 1.64 0.00 -1.26 -5.07 120.64 112.24 2jri n GLU 118 Ca 0.00 0.01 -0.27 0.00 0.00 0.00 0.00 57.16 56.90 2jri n GLU 118 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.85 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jri s HIS 119 N -2.03 3.48 0.05 4.31 3.76 -1.26 -5.11 115.29 118.50 2jri s HIS 119 Ca -0.02 0.30 0.08 0.00 -0.15 0.00 0.00 55.06 55.27 2jri s HIS 119 Cb 0.01 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.85 2jri s HIS 119 CO 0.03 0.40 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.51 2jri s TRP 120 N -1.85 2.03 -0.43 1.40 0.52 -1.26 -0.49 118.94 118.86 2jri s TRP 120 Ca 0.38 -0.39 -0.05 0.00 0.02 0.00 0.00 56.10 56.06 2jri s TRP 120 Cb -0.11 -1.20 0.11 0.00 -1.15 0.00 0.00 33.47 31.13 2jri s TRP 120 CO 0.29 0.13 0.25 -0.06 0.02 0.00 0.00 176.95 177.58 2jri s PHE 121 N -0.84 3.53 -0.37 -1.98 0.40 0.30 -4.82 117.98 114.21 2jri s PHE 121 Ca 0.09 -2.23 -0.26 0.00 -0.60 0.00 0.00 56.93 53.94 2jri s PHE 121 Cb -0.09 -3.30 0.02 0.00 0.51 0.00 0.00 43.02 40.15 2jri s PHE 121 CO 0.02 -0.98 0.93 0.99 0.70 0.00 0.00 175.22 176.89 2jri s THR 122 N 1.22 4.58 -0.34 0.64 2.01 -1.19 -1.81 115.64 120.75 2jri s THR 122 Ca 0.07 1.22 -0.03 0.00 0.31 0.00 0.00 61.69 63.26 2jri s THR 122 Cb -0.24 -4.34 0.07 0.00 0.01 0.00 0.00 72.50 68.00 2jri s THR 122 CO -0.03 -0.54 0.09 -0.69 -0.69 0.00 0.00 174.62 172.76 2jri s VAL 123 N 3.49 3.28 -0.12 3.82 1.01 -0.80 -0.12 120.40 130.96 2jri s VAL 123 Ca 0.39 -1.52 -0.04 0.00 0.00 0.00 0.00 61.98 60.80 2jri s VAL 123 Cb -0.12 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2jri s VAL 123 CO 0.19 -0.30 0.04 -0.60 0.00 0.00 0.00 175.10 174.43 2jri s ARG 124 N 1.26 3.38 0.11 2.72 6.06 -0.73 -2.10 118.95 129.64 2jri s ARG 124 Ca -0.00 -0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 52.58 2jri s ARG 124 Cb -0.21 -2.99 -0.07 0.00 0.06 0.00 0.00 34.95 31.74 2jri s ARG 124 CO -0.01 0.58 1.23 0.21 -2.50 0.00 0.00 175.30 174.81 2jri s LYS 125 N -0.51 4.43 -0.07 5.12 2.36 -0.73 -2.03 119.74 128.31 2jri s LYS 125 Ca 0.10 1.85 -0.00 0.00 -2.55 0.00 0.00 55.97 55.36 2jri s LYS 125 Cb -0.12 -3.30 0.03 0.00 -1.05 0.00 0.00 37.83 33.39 2jri s LYS 125 CO 0.02 -0.23 -0.03 -1.17 1.55 0.00 0.00 175.35 175.49 2jri s LEU 126 N 0.68 0.94 0.00 5.43 2.96 0.37 -4.87 118.68 124.19 2jri s LEU 126 Ca 0.58 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2jri s LEU 126 Cb -0.32 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 45.86 2jri s LEU 126 CO 0.31 -0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 2jri n GLY 127 N 4.74 0.82 0.00 7.98 0.00 -0.96 -0.23 105.19 117.54 2jri n GLY 127 Ca -0.14 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.50 1.61 0.00 -1.26 -4.84 118.16 111.17 2jri n LYS 128 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 58.31 58.12 2jri n LYS 128 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 35.03 34.76 2jri n LYS 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jri n GLN 129 N 0.00 1.37 -4.28 1.64 -0.06 0.68 -4.91 117.38 111.83 2jri n GLN 129 Ca 0.00 -1.16 -0.20 0.00 -2.00 0.00 0.00 57.00 53.65 2jri n GLN 129 Cb 0.34 0.20 -0.13 0.00 -4.06 0.00 0.00 30.24 26.60 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2jri s TRP 130 N -1.17 1.29 -0.02 3.69 0.52 -0.81 -0.48 118.94 121.97 2jri s TRP 130 Ca 0.06 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 55.78 2jri s TRP 130 Cb -0.00 -0.74 0.02 0.00 -1.15 0.00 0.00 33.47 31.60 2jri s TRP 130 CO 0.04 0.06 0.01 -0.06 0.02 0.00 0.00 176.95 177.02 2jri s PHE 131 N -1.06 0.15 -0.03 -1.98 0.08 -0.86 -1.12 117.98 113.15 2jri s PHE 131 Ca 0.01 0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.94 2jri s PHE 131 Cb -0.09 -0.28 -0.05 0.00 -0.57 0.00 0.00 43.02 42.03 2jri s PHE 131 CO 0.02 -0.09 0.49 1.21 -0.10 0.00 0.00 175.22 176.74 2jri s ASN 132 N 0.89 6.83 -0.04 1.36 2.47 -1.21 -1.77 114.94 123.47 2jri s ASN 132 Ca -0.08 0.99 0.03 0.00 0.42 0.00 0.00 52.86 54.22 2jri s ASN 132 Cb -0.11 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 2jri s ASN 132 CO -0.02 0.17 -0.12 -0.76 -3.72 0.00 0.00 177.10 172.65 2jri s LEU 133 N -0.35 1.81 -0.13 3.21 1.43 0.83 -3.15 118.68 122.34 2jri s LEU 133 Ca 0.26 -0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 2jri s LEU 133 Cb -0.17 -0.71 0.12 0.00 0.03 0.00 0.00 46.19 45.46 2jri s LEU 133 CO 0.14 0.09 0.96 0.21 0.23 0.00 0.00 176.35 177.98 2jri s ASN 134 N 0.19 -0.38 -1.21 2.29 2.47 -1.26 -3.16 114.94 113.88 2jri s ASN 134 Ca -0.04 0.35 -0.08 0.00 0.42 0.00 0.00 52.86 53.50 2jri s ASN 134 Cb -0.10 0.33 -0.11 0.00 -1.45 0.00 0.00 41.25 39.91 2jri s ASN 134 CO 0.01 -0.40 2.89 -1.20 -3.72 0.00 0.00 177.10 174.68 2jri n SER 135 N 0.56 7.38 0.00 -4.21 7.64 -1.26 -3.88 113.62 119.85 2jri n SER 135 Ca -0.10 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.28 2jri n SER 135 Cb 0.58 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 3.50 0.00 -4.63 -3.43 7.94 -1.26 -5.10 117.00 114.01 2jri n LEU 136 Ca 0.66 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 55.18 2jri n LEU 136 Cb 0.32 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.33 2jri n LEU 136 CO 0.70 -0.21 0.59 0.00 -1.11 0.00 0.00 177.39 177.36 2jri n LEU 137 N -1.62 4.09 -2.00 -1.96 -0.00 -1.25 -4.90 117.00 109.35 2jri n LEU 137 Ca 0.00 0.79 -0.17 0.00 -0.00 0.00 0.00 56.01 56.63 2jri n LEU 137 Cb 0.00 -1.41 0.18 0.00 -0.00 0.00 0.00 43.42 42.18 2jri n LEU 137 CO 0.00 -1.77 1.12 1.07 -0.00 0.00 0.00 177.39 177.81 2jri n THR 138 N -1.85 2.80 0.00 1.47 5.66 -1.26 -4.89 114.28 116.21 2jri n THR 138 Ca 0.14 -1.57 0.00 0.00 -3.05 0.00 0.00 64.05 59.57 2jri n THR 138 Cb 0.48 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 2jri n THR 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jri n GLY 139 N -0.72 1.94 3.78 1.09 0.00 -1.26 -5.15 105.19 104.87 2jri n GLY 139 Ca 0.47 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 2jri n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jri s PRO 140 N -1.34 3.98 -0.19 1.61 0.02 -1.26 -4.96 135.00 132.86 2jri s PRO 140 Ca 0.00 2.53 -0.26 0.00 0.02 0.00 0.00 61.00 63.29 2jri s PRO 140 Cb 0.00 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.64 2jri s PRO 140 CO 0.00 -0.62 0.90 -1.21 -0.33 0.00 0.00 177.00 175.74 2jri s GLU 141 N -2.20 4.28 -0.64 5.54 2.02 -1.19 -4.87 118.70 121.63 2jri s GLU 141 Ca 0.55 1.12 -0.27 0.00 0.02 0.00 0.00 54.97 56.40 2jri s GLU 141 Cb -0.46 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.16 2jri s GLU 141 CO 0.61 -0.44 1.75 -1.17 0.02 0.00 0.00 175.26 176.03 2jri s LEU 142 N 2.54 3.26 -0.44 1.80 2.96 -1.26 -3.34 118.68 124.20 2jri s LEU 142 Ca 0.40 0.16 -0.14 0.00 -0.22 0.00 0.00 54.13 54.33 2jri s LEU 142 Cb -0.16 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.05 2jri s LEU 142 CO 0.10 -2.28 0.33 -0.63 -1.32 0.00 0.00 176.35 172.55 2jri s ILE 143 N 8.45 5.02 0.80 6.68 1.01 -0.28 -5.04 121.20 137.85 2jri s ILE 143 Ca 0.61 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 2jri s ILE 143 Cb -0.12 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.55 2jri s ILE 143 CO 0.19 -0.45 1.13 -0.44 0.00 0.00 0.00 174.94 175.36 2jri s SER 144 N 2.15 4.16 0.00 3.58 0.01 -1.26 -1.92 113.70 120.42 2jri s SER 144 Ca 0.04 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2jri s SER 144 Cb -0.22 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2jri s SER 144 CO 0.07 -2.04 0.70 0.47 0.41 0.00 0.00 173.24 172.85 2jri n ASP 145 N -3.21 0.00 0.16 2.44 9.92 -1.26 -0.47 116.55 124.12 2jri n ASP 145 Ca 0.12 0.70 0.05 0.00 -0.53 0.00 0.00 54.79 55.13 2jri n ASP 145 Cb 0.60 -0.20 0.51 0.00 -0.64 0.00 0.00 41.12 41.39 2jri n ASP 145 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jri h THR 146 N 0.00 1.08 -0.68 -3.53 2.02 -2.01 -2.06 112.91 107.74 2jri h THR 146 Ca 0.00 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2jri h THR 146 Cb 0.00 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2jri h THR 146 CO 0.00 0.10 0.40 0.22 0.37 0.00 0.00 175.52 176.61 2jri h TYR 147 N 0.20 0.90 -0.75 3.16 3.20 -1.90 -2.09 116.97 119.68 2jri h TYR 147 Ca 0.05 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2jri h TYR 147 Cb 0.11 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 2jri h TYR 147 CO 0.00 0.62 0.50 1.25 -1.64 0.00 0.00 178.16 178.88 2jri h LEU 148 N 0.92 0.81 -1.28 2.82 5.85 -0.03 0.20 115.31 124.60 2jri h LEU 148 Ca 0.24 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 2jri h LEU 148 Cb -0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2jri h LEU 148 CO -0.04 0.57 0.17 0.00 -0.34 0.00 0.00 178.44 178.80 2jri h ALA 149 N 1.55 1.44 0.13 1.25 0.00 -1.29 0.14 119.26 122.48 2jri h ALA 149 Ca 0.29 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 2jri h ALA 149 Cb 0.01 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.63 2jri h ALA 149 CO -0.08 0.43 -1.26 1.25 0.00 0.00 0.00 179.25 179.59 2jri h LEU 150 N 0.66 0.87 -0.53 0.00 5.85 -0.98 -3.17 115.31 118.01 2jri h LEU 150 Ca 0.16 -0.81 0.01 0.00 0.84 0.00 0.00 57.88 58.08 2jri h LEU 150 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2jri h LEU 150 CO -0.01 1.61 0.34 0.15 -0.34 0.00 0.00 178.44 180.19 2jri h PHE 151 N 0.27 0.65 -0.79 1.25 3.57 -0.10 -0.27 116.94 121.52 2jri h PHE 151 Ca -0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 2jri h PHE 151 Cb 1.93 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.42 2jri h PHE 151 CO 0.11 0.39 0.49 -0.07 -2.23 0.00 0.00 178.31 177.00 2jri h LEU 152 N 0.69 0.93 -0.52 0.59 -0.00 -0.83 -1.42 115.31 114.76 2jri h LEU 152 Ca 0.20 -0.05 -0.16 0.00 -0.00 0.00 0.00 57.88 57.88 2jri h LEU 152 Cb -0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.37 2jri h LEU 152 CO -0.06 0.71 -0.56 0.00 -0.00 0.00 0.00 178.44 178.53 2jri h ALA 153 N 1.46 0.70 -0.80 1.53 0.00 -1.38 -3.05 119.26 117.71 2jri h ALA 153 Ca 0.28 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jri h ALA 153 Cb -0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jri h ALA 153 CO -0.06 0.69 0.34 1.96 0.00 0.00 0.00 179.25 182.19 2jri h GLN 154 N 0.42 1.17 -0.96 0.00 1.08 -0.27 -1.31 115.11 115.24 2jri h GLN 154 Ca 0.01 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2jri h GLN 154 Cb 1.10 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 28.29 2jri h GLN 154 CO 0.10 0.93 0.61 -0.07 -0.95 0.00 0.00 178.83 179.46 2jri h LEU 155 N 1.15 1.13 -0.38 1.46 3.38 -1.21 0.20 115.31 121.03 2jri h LEU 155 Ca 0.27 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 2jri h LEU 155 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jri h LEU 155 CO -0.03 0.84 -0.18 1.56 0.09 0.00 0.00 178.44 180.73 2jri h GLN 156 N 1.31 0.79 -0.50 1.13 4.20 -1.35 0.12 115.11 120.82 2jri h GLN 156 Ca 0.35 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 2jri h GLN 156 Cb -0.10 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2jri h GLN 156 CO -0.07 0.97 -0.13 1.96 -0.67 0.00 0.00 178.83 180.89 2jri h GLN 157 N 0.59 0.97 -0.25 1.46 4.20 -0.75 -3.09 115.11 118.25 2jri h GLN 157 Ca 0.09 -0.38 -0.15 0.00 0.06 0.00 0.00 58.65 58.27 2jri h GLN 157 Cb 0.73 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2jri h GLN 157 CO 0.05 1.05 -0.44 1.49 -0.67 0.00 0.00 178.83 180.31 2jri h GLU 158 N 0.83 0.64 0.00 1.46 4.57 -0.60 -3.48 114.58 118.00 2jri h GLU 158 Ca 0.13 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2jri h GLU 158 Cb 0.69 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2jri h GLU 158 CO 0.05 0.96 0.00 0.41 -1.18 0.00 0.00 179.01 179.25 2jri n GLY 159 N 0.10 0.82 0.00 1.92 0.00 -0.54 -5.09 105.19 102.39 2jri n GLY 159 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -1.07 -3.25 1.61 4.02 0.31 -4.80 117.16 113.97 2jri n TYR 160 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 2jri n TYR 160 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 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 0.83 -0.51 7.72 0.01 -0.76 -4.88 113.70 115.11 2jri s SER 161 Ca 0.00 -2.50 -0.27 0.00 1.31 0.00 0.00 55.95 54.49 2jri s SER 161 Cb 0.00 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2jri s SER 161 CO 0.00 -0.17 2.08 -0.63 0.41 0.00 0.00 173.24 174.94 2jri s ILE 162 N 0.51 3.22 -0.60 1.44 1.01 -1.26 -3.13 121.20 122.38 2jri s ILE 162 Ca 0.29 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 2jri s ILE 162 Cb -0.02 -3.50 0.15 0.00 0.01 0.00 0.00 42.46 39.11 2jri s ILE 162 CO -0.13 -0.46 0.54 -0.36 0.00 0.00 0.00 174.94 174.54 2jri s PHE 163 N 9.95 3.39 -0.08 3.97 0.08 0.93 -0.85 117.98 135.37 2jri s PHE 163 Ca 0.82 -1.54 -0.19 0.00 0.12 0.00 0.00 56.93 56.14 2jri s PHE 163 Cb -0.17 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.48 2jri s PHE 163 CO 0.25 -1.01 0.54 0.54 -0.10 0.00 0.00 175.22 175.44 2jri s VAL 164 N 1.22 5.09 -0.18 -0.44 0.11 0.58 -0.60 120.40 126.18 2jri s VAL 164 Ca 0.07 1.10 -0.21 0.00 -2.93 0.00 0.00 61.98 60.01 2jri s VAL 164 Cb -0.25 -3.88 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 2jri s VAL 164 CO -0.00 0.35 0.64 -0.69 -3.33 0.00 0.00 175.10 172.06 2jri s VAL 165 N 0.38 5.02 -0.19 2.04 1.01 -0.13 -0.15 120.40 128.38 2jri s VAL 165 Ca 0.29 1.21 -0.08 0.00 0.00 0.00 0.00 61.98 63.40 2jri s VAL 165 Cb -0.16 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 2jri s VAL 165 CO 0.13 0.13 0.09 -0.54 0.00 0.00 0.00 175.10 174.91 2jri s LYS 166 N 1.78 4.05 0.00 2.72 -0.14 0.20 -4.44 119.74 123.91 2jri s LYS 166 Ca 0.30 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.61 2jri s LYS 166 Cb -0.16 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 2jri s LYS 166 CO 0.11 0.28 0.00 0.41 -0.76 0.00 0.00 175.35 175.39 2jri n GLY 167 N 3.52 0.58 3.64 -3.33 0.00 -1.26 -1.69 105.19 106.64 2jri n GLY 167 Ca -0.16 -2.15 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 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 -3.51 6.40 -0.03 1.61 1.01 -1.26 -4.91 116.67 115.97 2jri s ASP 168 Ca 0.00 0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.76 2jri s ASP 168 Cb 0.00 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 2jri s ASP 168 CO 0.00 -0.18 -0.08 -0.76 0.21 0.00 0.00 175.17 174.36 2jri s LEU 169 N 1.85 3.08 0.38 1.23 1.02 -1.26 -4.97 118.68 120.01 2jri s LEU 169 Ca 0.19 -0.11 -0.27 0.00 0.02 0.00 0.00 54.13 53.96 2jri s LEU 169 Cb -0.15 -1.71 -0.11 0.00 0.02 0.00 0.00 46.19 44.23 2jri s LEU 169 CO 0.09 0.33 1.39 -0.81 0.02 0.00 0.00 176.35 177.37 2jri n PRO 170 N 1.95 2.36 -3.52 1.29 -0.04 -1.26 -5.02 135.00 130.77 2jri n PRO 170 Ca -0.17 0.83 -0.21 0.00 -0.04 0.00 0.00 63.50 63.92 2jri n PRO 170 Cb 0.53 -2.52 -0.02 0.00 -0.04 0.00 0.00 33.50 31.45 2jri n PRO 170 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jri s ASP 171 N -0.27 5.07 0.24 3.54 -4.77 -1.26 -5.07 116.67 114.16 2jri s ASP 171 Ca 0.56 -0.76 0.04 0.00 -3.30 0.00 0.00 52.55 49.09 2jri s ASP 171 Cb -0.51 -0.47 -0.02 0.00 -1.09 0.00 0.00 42.92 40.84 2jri s ASP 171 CO 0.62 -0.72 0.15 0.00 0.70 0.00 0.00 175.17 175.91 2jri h GLU 173 N 0.00 0.62 0.00 0.00 4.57 -1.94 -0.94 114.58 116.89 2jri h GLU 173 Ca -0.18 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2jri h GLU 173 Cb 0.79 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2jri h GLU 173 CO 0.27 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 2jri h ALA 174 N 1.39 1.00 0.15 2.92 0.00 -1.96 -1.12 119.26 121.64 2jri h ALA 174 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.89 2jri h ALA 174 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jri h ALA 174 CO -0.23 0.00 -1.80 0.22 0.00 0.00 0.00 179.25 177.44 2jri h ASP 175 N 0.00 0.51 0.76 0.00 1.82 -1.52 -3.09 116.42 114.90 2jri h ASP 175 Ca 0.00 -0.93 -0.11 0.00 -0.39 0.00 0.00 57.03 55.60 2jri h ASP 175 Cb 0.11 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.94 2jri h ASP 175 CO 0.00 1.79 -0.54 1.56 -1.61 0.00 0.00 179.24 180.44 2jri h GLN 176 N 0.02 0.00 0.00 0.28 4.20 -1.02 -2.54 115.11 116.06 2jri h GLN 176 Ca -0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2jri h GLN 176 Cb 2.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.80 2jri h GLN 176 CO 0.12 0.54 -0.98 1.47 -0.67 0.00 0.00 178.83 179.31 2jri n LEU 177 N -3.65 0.62 -0.72 1.46 -0.00 -0.49 -4.14 117.00 110.08 2jri n LEU 177 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2jri n LEU 177 Cb 0.60 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2jri n LEU 177 CO 0.40 0.02 0.36 -0.11 -0.00 0.00 0.00 177.39 178.06 2jri n LEU 178 N -2.01 1.86 -0.17 1.47 -0.00 -1.17 -3.62 117.00 113.36 2jri n LEU 178 Ca 0.02 -0.93 0.13 0.00 -0.00 0.00 0.00 56.01 55.23 2jri n LEU 178 Cb 0.44 -0.50 0.39 0.00 -0.00 0.00 0.00 43.42 43.76 2jri n LEU 178 CO 0.40 0.36 0.65 0.00 -0.00 0.00 0.00 177.39 178.80 2jri n GLN 179 N 0.22 0.63 -2.34 1.96 1.13 -1.26 -3.94 117.38 113.79 2jri n GLN 179 Ca 0.00 -0.34 -0.00 0.00 -1.94 0.00 0.00 57.00 54.71 2jri n GLN 179 Cb 0.36 -1.49 0.05 0.00 0.11 0.00 0.00 30.24 29.26 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 -0.88 1.11 -4.06 -1.09 0.00 -1.24 -4.99 117.12 105.96 2jri n MET 180 Ca 0.11 -2.50 -0.34 0.00 0.00 0.00 0.00 57.70 54.97 2jri n MET 180 Cb 0.33 -0.66 -0.10 0.00 0.00 0.00 0.00 33.22 32.79 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 -1.84 4.58 0.00 3.17 -1.09 -1.26 -5.21 121.20 119.55 2jri s ILE 181 Ca 0.23 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 2jri s ILE 181 Cb 0.33 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 2jri s ILE 181 CO -0.08 0.46 0.00 -1.14 -1.23 0.00 0.00 174.94 172.94