#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 3.07 -1.67 2.12 4.71 -1.26 -4.94 120.64 122.67 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 5.19 -0.03 1.62 0.01 -1.26 -4.96 113.70 113.27 2jri s SER 3 Ca 0.00 1.47 0.05 0.00 1.31 0.00 0.00 55.95 58.78 2jri s SER 3 Cb 0.00 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2jri s SER 3 CO 0.00 -2.24 -0.19 -0.63 0.41 0.00 0.00 173.24 170.59 2jri s ILE 4 N 9.36 1.56 -1.07 1.44 1.01 -1.26 -4.33 121.20 127.91 2jri s ILE 4 Ca 0.95 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 2jri s ILE 4 Cb -0.25 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 2jri s ILE 4 CO 0.31 0.44 1.83 -0.36 0.00 0.00 0.00 174.94 177.17 2jri s PHE 5 N -0.26 2.10 -0.83 3.97 0.40 -1.26 -4.82 117.98 117.29 2jri s PHE 5 Ca 0.02 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2jri s PHE 5 Cb -0.10 -4.23 0.29 0.00 0.51 0.00 0.00 43.02 39.49 2jri s PHE 5 CO 0.01 -1.61 1.14 1.58 0.70 0.00 0.00 175.22 177.04 2jri n HIS 6 N 12.53 3.11 -1.85 0.36 -0.00 -1.26 -4.62 115.22 123.49 2jri n HIS 6 Ca 0.42 -3.41 -0.42 0.00 0.46 0.00 0.00 57.72 54.76 2jri n HIS 6 Cb 0.47 -0.86 -0.03 0.00 -0.12 0.00 0.00 29.99 29.45 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 -2.91 4.17 -0.01 1.57 0.41 -1.26 -4.99 118.70 115.68 2jri s GLU 7 Ca 0.38 2.41 0.06 0.00 -0.41 0.00 0.00 54.97 57.41 2jri s GLU 7 Cb 0.13 -3.73 -0.02 0.00 -1.78 0.00 0.00 34.13 28.74 2jri s GLU 7 CO 0.01 -0.80 -0.20 0.21 -0.49 0.00 0.00 175.26 173.98 2jri s LYS 8 N 3.11 1.60 0.16 1.61 2.47 -1.26 -4.82 119.74 122.60 2jri s LYS 8 Ca 0.77 -0.70 -0.13 0.00 -1.56 0.00 0.00 55.97 54.35 2jri s LYS 8 Cb -0.41 -1.54 0.01 0.00 -1.46 0.00 0.00 37.83 34.43 2jri s LYS 8 CO 0.34 0.42 0.37 1.14 0.16 0.00 0.00 175.35 177.78 2jri s GLN 9 N -0.46 1.18 -0.01 4.03 0.00 -1.26 -5.13 119.66 118.01 2jri s GLN 9 Ca 0.08 -0.99 0.00 0.00 -0.00 0.00 0.00 55.36 54.45 2jri s GLN 9 Cb -0.08 0.43 0.01 0.00 0.00 0.00 0.00 33.01 33.37 2jri s GLN 9 CO -0.01 -0.46 0.01 -2.00 0.00 0.00 0.00 175.29 172.83 2jri s GLU 10 N -3.90 0.01 0.00 9.60 2.12 -1.26 -4.98 118.70 120.29 2jri s GLU 10 Ca 0.11 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.49 2jri s GLU 10 Cb 0.02 -0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2jri s GLU 10 CO -0.04 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2jri n GLY 11 N 3.39 0.70 7.00 -1.50 0.00 -1.26 -5.01 105.19 108.51 2jri n GLY 11 Ca -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.05 -2.48 -3.59 1.61 7.64 -1.26 -4.93 113.62 110.55 2jri n SER 12 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2jri n SER 12 Cb 0.02 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.29 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 -3.25 0.28 -3.43 7.99 -0.68 -4.87 117.00 113.03 2jri n LEU 13 Ca 0.00 -0.55 0.15 0.00 -0.01 0.00 0.00 56.01 55.60 2jri n LEU 13 Cb 0.00 -2.98 0.79 0.00 -0.11 0.00 0.00 43.42 41.12 2jri n LEU 13 CO 0.00 0.61 1.01 0.00 -1.51 0.00 0.00 177.39 177.49 2jri h ALA 15 N 1.91 1.55 -0.06 0.00 0.00 -1.92 -0.36 119.26 120.38 2jri h ALA 15 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2jri h ALA 15 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jri h ALA 15 CO 0.01 0.33 0.00 0.94 0.00 0.00 0.00 179.25 180.53 2jri n GLN 16 N -4.24 1.17 0.02 0.00 7.27 -0.66 -2.81 117.38 118.13 2jri n GLN 16 Ca -0.02 -0.22 -0.01 0.00 0.07 0.00 0.00 57.00 56.82 2jri n GLN 16 Cb 0.30 -1.13 -0.00 0.00 2.41 0.00 0.00 30.24 31.82 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2jri n HIS 17 N -0.26 0.00 0.21 3.69 -0.00 -0.24 -4.45 115.22 114.17 2jri n HIS 17 Ca 0.02 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.05 2jri n HIS 17 Cb 0.09 -0.05 -0.08 0.00 -0.12 0.00 0.00 29.99 29.84 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 -0.66 0.65 -0.66 0.00 5.85 -1.77 0.04 115.31 118.75 2jri h LEU 19 Ca -0.05 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2jri h LEU 19 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2jri h LEU 19 CO 0.09 0.66 0.42 0.78 -0.34 0.00 0.00 178.44 180.04 2jri h ASN 20 N 0.60 0.79 1.74 1.25 4.21 -1.70 -0.20 115.58 122.27 2jri h ASN 20 Ca 0.15 -0.05 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 2jri h ASN 20 Cb 0.23 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 2jri h ASN 20 CO -0.01 0.60 -0.19 0.78 -1.29 0.00 0.00 177.43 177.32 2jri h ASN 21 N 0.90 0.00 0.03 5.81 2.35 -0.97 -1.09 115.58 122.61 2jri h ASN 21 Ca 0.24 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 2jri h ASN 21 Cb -0.06 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.32 2jri h ASN 21 CO -0.05 0.19 -0.20 0.25 -1.65 0.00 0.00 177.43 175.97 2jri h LEU 22 N 0.00 0.12 -0.24 1.61 7.12 -0.52 -3.33 115.31 120.07 2jri h LEU 22 Ca -0.00 -0.94 -0.15 0.00 0.13 0.00 0.00 57.88 56.92 2jri h LEU 22 Cb 1.11 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 2jri h LEU 22 CO 0.02 1.05 -0.72 -0.07 -0.13 0.00 0.00 178.44 178.60 2jri h LEU 23 N -0.79 0.00 -1.35 2.25 3.38 -1.14 -3.48 115.31 114.18 2jri h LEU 23 Ca -0.03 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.61 2jri h LEU 23 Cb 1.11 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.00 2jri h LEU 23 CO 0.04 0.72 -0.67 0.00 0.09 0.00 0.00 178.44 178.62 2jri n GLN 24 N -3.41 -6.52 -3.63 1.13 1.13 -0.41 -4.55 117.38 101.12 2jri n GLN 24 Ca 0.00 0.76 -0.11 0.00 -1.94 0.00 0.00 57.00 55.72 2jri n GLN 24 Cb 0.77 -5.57 -0.07 0.00 0.11 0.00 0.00 30.24 25.49 2jri n GLN 24 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2jri s GLY 25 N -3.86 -0.29 -1.34 1.08 0.00 -1.24 -4.78 107.32 96.90 2jri s GLY 25 Ca 0.21 2.39 -0.08 0.00 0.00 0.00 0.00 44.72 47.24 2jri s GLY 25 CO 0.66 1.72 2.19 1.18 0.00 0.00 0.00 173.10 178.85 2jri n GLU 26 N 2.19 4.00 -0.64 2.90 1.02 -1.26 -4.55 120.64 124.29 2jri n GLU 26 Ca -0.13 -3.35 0.02 0.00 -0.02 0.00 0.00 57.16 53.68 2jri n GLU 26 Cb 0.56 -2.81 0.20 0.00 -0.02 0.00 0.00 31.44 29.37 2jri n GLU 26 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2jri n TYR 27 N 3.06 0.51 -3.96 -0.32 9.36 -1.26 -4.97 117.16 119.58 2jri n TYR 27 Ca 0.53 -1.48 -0.20 0.00 3.32 0.00 0.00 57.90 60.07 2jri n TYR 27 Cb 0.30 -0.35 -0.17 0.00 -0.63 0.00 0.00 39.34 38.50 2jri n TYR 27 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 2jri s PHE 28 N -3.20 0.54 0.26 2.98 5.36 -1.26 -5.14 117.98 117.52 2jri s PHE 28 Ca 0.41 -0.10 -0.20 0.00 -0.96 0.00 0.00 56.93 56.07 2jri s PHE 28 Cb 0.38 -0.60 -0.09 0.00 -0.34 0.00 0.00 43.02 42.37 2jri s PHE 28 CO -0.03 -0.20 0.77 0.45 -1.46 0.00 0.00 175.22 174.75 2jri s SER 29 N 1.27 7.08 0.36 6.13 0.15 -1.26 -4.97 113.70 122.45 2jri s SER 29 Ca -0.06 1.49 0.06 0.00 0.70 0.00 0.00 55.95 58.15 2jri s SER 29 Cb -0.13 -2.45 0.74 0.00 -1.71 0.00 0.00 66.02 62.47 2jri s SER 29 CO -0.02 -0.02 1.94 -0.65 1.20 0.00 0.00 173.24 175.68 2jri h PRO 30 N 3.21 0.74 0.00 5.44 0.11 -2.02 -1.40 132.00 138.08 2jri h PRO 30 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2jri h PRO 30 Cb 1.19 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2jri h PRO 30 CO 0.65 0.49 -0.18 -0.24 -0.21 0.00 0.00 178.00 178.51 2jri h VAL 31 N 0.76 0.60 0.00 3.15 3.04 -2.01 -2.57 116.25 119.22 2jri h VAL 31 Ca 0.35 -0.82 -0.08 0.00 -1.01 0.00 0.00 66.70 65.13 2jri h VAL 31 Cb 0.35 1.54 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2jri h VAL 31 CO -0.13 0.18 -0.38 -0.33 -1.01 0.00 0.00 177.57 175.90 2jri h GLU 32 N 0.00 0.00 -0.04 4.17 5.08 -1.64 -1.90 114.58 120.25 2jri h GLU 32 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jri h GLU 32 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jri h GLU 32 CO 0.02 0.38 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.28 2jri h LEU 33 N 0.00 0.04 0.00 1.33 3.38 -1.52 0.15 115.31 118.70 2jri h LEU 33 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2jri h LEU 33 Cb 0.69 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2jri h LEU 33 CO 0.05 0.11 -1.08 -1.20 0.09 0.00 0.00 178.44 176.41 2jri n SER 34 N -4.44 0.60 0.01 -0.43 7.64 -0.91 -4.23 113.62 111.86 2jri n SER 34 Ca -0.02 -0.14 -0.12 0.00 1.01 0.00 0.00 58.87 59.60 2jri n SER 34 Cb 0.15 0.83 -0.14 0.00 -1.01 0.00 0.00 64.21 64.05 2jri n SER 34 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jri h SER 35 N 0.00 0.15 0.19 6.43 0.02 -0.43 -3.33 113.55 116.59 2jri h SER 35 Ca 0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2jri h SER 35 Cb 0.78 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 2jri h SER 35 CO 0.00 1.26 -0.01 0.16 -1.14 0.00 0.00 176.83 177.10 2jri h ILE 36 N 0.03 0.07 -0.10 3.27 3.07 -0.93 -1.13 117.51 121.79 2jri h ILE 36 Ca -0.28 -0.12 -0.10 0.00 1.55 0.00 0.00 64.86 65.91 2jri h ILE 36 Cb 2.00 1.11 -0.01 0.00 -0.27 0.00 0.00 36.82 39.64 2jri h ILE 36 CO 0.10 0.01 -0.41 0.00 -1.05 0.00 0.00 178.15 176.80 2jri h ALA 37 N 1.99 1.13 -0.13 0.16 0.00 -1.77 -2.70 119.26 117.95 2jri h ALA 37 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2jri h ALA 37 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jri h ALA 37 CO 0.00 0.58 -0.10 1.25 0.00 0.00 0.00 179.25 180.98 2jri h HIS 38 N 0.19 0.20 -0.06 0.00 -0.00 -1.36 -0.81 115.15 113.30 2jri h HIS 38 Ca 0.02 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.27 2jri h HIS 38 Cb 0.80 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 2jri h HIS 38 CO 0.01 0.30 -0.40 0.37 -0.00 0.00 0.00 177.93 178.21 2jri h GLN 39 N 0.18 0.13 -0.15 5.26 -0.00 -1.56 -1.85 115.11 117.12 2jri h GLN 39 Ca 0.04 -0.06 -0.11 0.00 -0.00 0.00 0.00 58.65 58.52 2jri h GLN 39 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.78 2jri h GLN 39 CO 0.02 0.52 -0.33 -0.07 0.00 0.00 0.00 178.83 178.96 2jri h LEU 40 N 0.11 0.55 -1.32 -2.39 -0.00 -1.15 -0.59 115.31 110.52 2jri h LEU 40 Ca 0.01 -0.57 -0.04 0.00 -0.00 0.00 0.00 57.88 57.28 2jri h LEU 40 Cb 0.76 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 2jri h LEU 40 CO 0.06 1.02 -0.01 -2.24 -0.00 0.00 0.00 178.44 177.26 2jri h ASP 41 N 0.11 0.41 -0.38 -0.43 3.04 -1.25 0.54 116.42 118.46 2jri h ASP 41 Ca 0.00 -0.07 -0.08 0.00 -3.24 0.00 0.00 57.03 53.64 2jri h ASP 41 Cb 0.94 -0.11 -0.01 0.00 -1.04 0.00 0.00 39.33 39.11 2jri h ASP 41 CO 0.07 0.48 -0.08 -0.08 -2.04 0.00 0.00 179.24 177.60 2jri h GLU 42 N 0.43 0.72 -0.25 4.15 4.81 -1.20 0.26 114.58 123.49 2jri h GLU 42 Ca 0.09 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 2jri h GLU 42 Cb 0.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2jri h GLU 42 CO 0.01 0.86 -0.40 1.49 -0.73 0.00 0.00 179.01 180.24 2jri h GLU 43 N 0.52 0.72 -0.24 1.92 4.81 -0.38 -2.71 114.58 119.22 2jri h GLU 43 Ca 0.10 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.82 2jri h GLU 43 Cb 0.59 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2jri h GLU 43 CO 0.03 1.05 -0.16 0.93 -0.73 0.00 0.00 179.01 180.14 2jri h GLU 44 N 0.44 0.41 -0.65 1.92 4.39 0.10 -1.26 114.58 119.94 2jri h GLU 44 Ca 0.02 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2jri h GLU 44 Cb 0.99 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2jri h GLU 44 CO 0.09 0.56 0.34 -0.09 -1.16 0.00 0.00 179.01 178.75 2jri h ARG 45 N 0.38 0.92 -0.49 2.33 2.43 -0.84 0.10 114.38 119.21 2jri h ARG 45 Ca 0.07 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 2jri h ARG 45 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2jri h ARG 45 CO 0.03 0.71 -0.09 0.52 -1.51 0.00 0.00 179.97 179.63 2jri h MET 46 N 0.89 0.87 -0.14 0.20 2.86 -1.12 -0.87 114.93 117.63 2jri h MET 46 Ca 0.23 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 2jri h MET 46 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2jri h MET 46 CO -0.03 0.93 -0.21 -0.09 1.06 0.00 0.00 176.91 178.57 2jri h ARG 47 N 0.79 0.23 -0.12 1.72 1.12 -0.65 0.12 114.38 117.60 2jri h ARG 47 Ca 0.13 -0.07 -0.11 0.00 -1.11 0.00 0.00 59.98 58.83 2jri h ARG 47 Cb 0.59 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.53 2jri h ARG 47 CO 0.04 0.44 -0.33 1.98 -3.11 0.00 0.00 179.97 178.98 2jri h MET 48 N 0.21 0.44 -0.41 0.20 4.05 -0.26 0.49 114.93 119.66 2jri h MET 48 Ca 0.04 -0.31 -0.05 0.00 -0.28 0.00 0.00 59.70 59.10 2jri h MET 48 Cb 0.49 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 2jri h MET 48 CO 0.03 0.93 0.07 0.00 0.23 0.00 0.00 176.91 178.17 2jri h ALA 49 N 0.51 0.54 -3.04 0.39 0.00 -0.87 -3.32 119.26 113.47 2jri h ALA 49 Ca -0.01 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 2jri h ALA 49 Cb 0.95 -0.15 -0.40 0.00 0.00 0.00 0.00 17.79 18.19 2jri h ALA 49 CO 0.07 0.25 -0.74 -1.21 0.00 0.00 0.00 179.25 177.62 2jri s GLU 50 N -5.21 1.16 0.00 0.00 2.02 0.40 -4.85 118.70 112.22 2jri s GLU 50 Ca -0.13 -1.79 0.00 0.00 0.02 0.00 0.00 54.97 53.07 2jri s GLU 50 Cb 0.10 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 32.05 2jri s GLU 50 CO 0.78 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2jri n GLY 51 N 3.85 1.33 3.28 -1.39 0.00 -0.94 -4.40 105.19 106.92 2jri n GLY 51 Ca 0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2jri n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jri s GLY 52 N 0.00 -0.60 -0.16 -0.02 0.00 0.12 -5.01 107.32 101.64 2jri s GLY 52 Ca 0.00 1.69 -0.06 0.00 0.00 0.00 0.00 44.72 46.34 2jri s GLY 52 CO 0.00 2.84 0.35 0.54 0.00 0.00 0.00 173.10 176.83 2jri s VAL 53 N 2.73 -0.47 0.00 1.40 0.11 -1.25 -4.06 120.40 118.86 2jri s VAL 53 Ca 0.05 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2jri s VAL 53 Cb -0.13 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2jri s VAL 53 CO -0.17 0.09 0.00 0.35 -3.33 0.00 0.00 175.10 172.04 2jri n THR 54 N 5.20 0.00 0.01 5.04 -2.24 -1.26 -5.02 114.28 116.01 2jri n THR 54 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2jri n THR 54 Cb 0.50 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2jri n THR 54 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jri n SER 55 N 0.00 0.02 -0.37 3.42 7.64 -1.26 -4.84 113.62 118.23 2jri n SER 55 Ca 0.00 0.02 0.08 0.00 1.01 0.00 0.00 58.87 59.98 2jri n SER 55 Cb 0.00 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.56 2jri n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jri n GLU 56 N -2.55 1.48 0.05 1.43 1.02 -1.26 -4.12 120.64 116.69 2jri n GLU 56 Ca 0.00 -0.73 0.21 0.00 -0.02 0.00 0.00 57.16 56.62 2jri n GLU 56 Cb 0.00 -1.31 0.74 0.00 -0.02 0.00 0.00 31.44 30.85 2jri n GLU 56 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jri h ASP 57 N 1.38 0.00 -0.05 1.62 3.32 -1.95 0.37 116.42 121.12 2jri h ASP 57 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2jri h ASP 57 Cb 0.31 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2jri h ASP 57 CO 0.00 0.00 0.06 1.88 -1.72 0.00 0.00 179.24 179.46 2jri h TYR 58 N 0.00 0.00 0.00 4.55 0.05 -1.97 -1.15 116.97 118.46 2jri h TYR 58 Ca 0.22 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 2jri h TYR 58 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 2jri h TYR 58 CO 0.00 0.00 -1.06 2.89 -1.05 0.00 0.00 178.16 178.94 2jri n ARG 59 N -3.80 2.88 0.15 4.88 1.85 -0.16 -4.58 116.66 117.88 2jri n ARG 59 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2jri n ARG 59 Cb 0.15 -1.02 0.24 0.00 -1.05 0.00 0.00 32.46 30.78 2jri n ARG 59 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 2jri h THR 60 N 0.00 1.37 0.00 8.89 1.35 -0.98 -2.23 112.91 121.31 2jri h THR 60 Ca -0.02 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2jri h THR 60 Cb 1.05 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2jri h THR 60 CO -0.00 0.51 0.00 0.33 -0.25 0.00 0.00 175.52 176.10 2jri n PHE 61 N -3.93 0.93 0.28 4.73 7.35 -0.44 -0.67 117.46 125.71 2jri n PHE 61 Ca -0.01 0.29 0.12 0.00 -0.76 0.00 0.00 57.45 57.08 2jri n PHE 61 Cb 0.53 -0.97 0.04 0.00 0.35 0.00 0.00 39.48 39.43 2jri n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2jri n LEU 62 N -2.27 0.76 -0.47 -2.13 4.77 -0.88 -3.59 117.00 113.19 2jri n LEU 62 Ca 0.05 0.25 0.05 0.00 -0.03 0.00 0.00 56.01 56.32 2jri n LEU 62 Cb 0.39 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.48 2jri n LEU 62 CO 0.28 -0.12 0.53 1.67 -1.33 0.00 0.00 177.39 178.42 2jri n GLN 63 N -2.43 1.90 -1.67 3.23 7.27 -0.98 -4.89 117.38 119.81 2jri n GLN 63 Ca 0.01 -1.61 -0.45 0.00 0.07 0.00 0.00 57.00 55.02 2jri n GLN 63 Cb 0.51 -1.21 -0.03 0.00 2.41 0.00 0.00 30.24 31.92 2jri n GLN 63 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2jri n GLN 64 N 0.41 2.05 -1.64 3.69 -0.06 0.15 -4.89 117.38 117.09 2jri n GLN 64 Ca 0.08 0.73 -0.40 0.00 -2.00 0.00 0.00 57.00 55.41 2jri n GLN 64 Cb 0.33 -2.40 0.03 0.00 -4.06 0.00 0.00 30.24 24.14 2jri n GLN 64 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2jri n PRO 65 N 2.15 1.36 0.00 3.69 -0.02 -1.26 -1.95 135.00 138.97 2jri n PRO 65 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2jri n PRO 65 Cb 0.31 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.10 0.00 0.17 2.55 7.64 -1.26 -4.70 113.62 117.92 2jri n SER 66 Ca 0.10 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.01 2jri n SER 66 Cb 0.42 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.00 0.66 0.23 0.00 -1.70 -3.07 103.07 99.19 2jri h GLY 67 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2jri h GLY 67 CO 0.00 0.00 -0.66 3.43 0.00 0.00 0.00 176.54 179.31 2jri h ASN 68 N 0.00 0.44 0.00 0.19 2.35 -1.82 -3.35 115.58 113.39 2jri h ASN 68 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 56.30 54.86 2jri h ASN 68 Cb 0.90 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2jri h ASN 68 CO 0.06 1.29 0.00 0.80 -1.65 0.00 0.00 177.43 177.93 2jri n MET 69 N -4.21 0.00 0.00 0.81 0.00 -1.16 -4.58 117.12 107.98 2jri n MET 69 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.58 2jri n MET 69 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.96 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 0.00 0.00 0.04 6.12 2.03 -1.26 -4.02 116.55 119.45 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 -0.02 0.00 1.67 2.03 -1.26 -4.56 116.55 114.41 2jri n ASP 71 Ca 0.00 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2jri n ASP 71 Cb 0.00 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 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 -2.77 0.00 -0.27 1.67 7.64 -1.26 -4.94 113.62 113.69 2jri n SER 72 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2jri n SER 72 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.32 2.40 0.23 0.00 -1.26 -4.84 105.19 106.39 2jri n GLY 73 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.12 -3.88 -3.71 1.61 3.72 -1.26 -1.69 117.46 112.13 2jri n PHE 74 Ca 0.08 -0.78 -0.12 0.00 -0.05 0.00 0.00 57.45 56.58 2jri n PHE 74 Cb 0.15 -0.61 -0.10 0.00 -0.94 0.00 0.00 39.48 37.97 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 -2.67 -0.55 0.72 1.38 0.08 -1.26 -4.73 117.98 110.94 2jri s PHE 75 Ca 0.46 1.26 -0.11 0.00 0.12 0.00 0.00 56.93 58.66 2jri s PHE 75 Cb -0.01 0.22 0.02 0.00 -0.57 0.00 0.00 43.02 42.68 2jri s PHE 75 CO 0.32 -0.29 1.10 -1.12 -0.10 0.00 0.00 175.22 175.13 2jri s SER 76 N 0.72 5.32 0.63 1.36 0.01 -1.26 -4.94 113.70 115.55 2jri s SER 76 Ca -0.04 1.15 0.41 0.00 1.31 0.00 0.00 55.95 58.78 2jri s SER 76 Cb -0.05 -1.94 2.16 0.00 0.21 0.00 0.00 66.02 66.40 2jri s SER 76 CO -0.05 -1.42 2.29 -0.29 0.41 0.00 0.00 173.24 174.17 2jri h ILE 77 N -0.71 0.09 -0.06 1.44 2.10 -1.97 -2.14 117.51 116.26 2jri h ILE 77 Ca -0.45 -0.11 0.02 0.00 1.08 0.00 0.00 64.86 65.39 2jri h ILE 77 Cb 1.26 1.10 -0.00 0.00 -1.09 0.00 0.00 36.82 38.08 2jri h ILE 77 CO 0.63 0.01 0.07 1.56 -1.08 0.00 0.00 178.15 179.34 2jri h GLN 78 N 0.00 0.00 -0.12 2.19 7.50 -1.92 -0.96 115.11 121.80 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 0.00 0.00 1.33 -1.50 0.00 0.00 178.83 178.66 2jri n VAL 79 N -3.81 0.16 -0.06 -0.54 0.24 -0.80 -3.21 118.33 110.30 2jri n VAL 79 Ca -0.01 -0.17 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 2jri n VAL 79 Cb 0.16 0.06 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 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 -0.16 1.29 -0.35 1.34 2.08 -0.37 -3.91 119.36 119.29 2jri n ILE 80 Ca 0.07 0.07 -0.03 0.00 0.56 0.00 0.00 62.75 63.42 2jri n ILE 80 Cb 0.13 -1.99 0.10 0.00 -0.75 0.00 0.00 39.64 37.12 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 -0.67 1.12 0.94 4.38 0.02 -1.69 -2.40 113.55 115.25 2jri h SER 81 Ca -0.15 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 2jri h SER 81 Cb 0.91 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2jri h SER 81 CO -0.09 0.86 -0.73 -1.13 -1.14 0.00 0.00 176.83 174.60 2jri h ASN 82 N 1.29 0.00 -0.65 3.07 -1.24 -1.81 -2.93 115.58 113.30 2jri h ASN 82 Ca 0.34 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.38 2jri h ASN 82 Cb -0.06 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 38.96 2jri h ASN 82 CO -0.06 0.73 0.43 0.00 -1.29 0.00 0.00 177.43 177.24 2jri h ALA 83 N 1.27 1.65 0.02 1.57 0.00 -1.55 -1.14 119.26 121.09 2jri h ALA 83 Ca -0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 2jri h ALA 83 Cb 1.40 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2jri h ALA 83 CO 0.09 0.27 -1.52 -0.07 0.00 0.00 0.00 179.25 178.03 2jri h LEU 84 N 0.76 0.06 -0.83 0.00 -0.00 -1.56 -3.36 115.31 110.37 2jri h LEU 84 Ca 0.26 -0.10 -0.07 0.00 -0.00 0.00 0.00 57.88 57.98 2jri h LEU 84 Cb 0.09 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.71 2jri h LEU 84 CO -0.07 1.08 0.09 0.50 -0.00 0.00 0.00 178.44 180.04 2jri h LYS 85 N 0.01 0.96 0.00 1.13 3.64 -1.19 0.23 116.57 121.36 2jri h LYS 85 Ca -0.22 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2jri h LYS 85 Cb 1.95 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2jri h LYS 85 CO 0.10 0.89 -0.02 -0.39 -2.27 0.00 0.00 179.45 177.77 2jri h VAL 86 N 0.91 0.06 0.00 2.00 -1.51 -1.38 -0.94 116.25 115.38 2jri h VAL 86 Ca 0.18 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2jri h VAL 86 Cb 0.41 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 2jri h VAL 86 CO 0.01 0.02 -0.77 -0.50 -1.23 0.00 0.00 177.57 175.09 2jri h TRP 87 N 0.00 0.00 0.00 5.19 4.06 -1.56 -3.47 115.95 120.17 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 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 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 0.83 3.95 1.49 0.00 -0.36 -5.11 105.19 107.29 2jri n GLY 88 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 3.16 -0.02 0.99 2.01 0.01 -4.96 118.68 119.87 2jri s LEU 89 Ca 0.00 0.30 0.05 0.00 0.01 0.00 0.00 54.13 54.49 2jri s LEU 89 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 46.19 43.09 2jri s LEU 89 CO 0.00 -1.23 -0.18 -0.70 1.01 0.00 0.00 176.35 175.25 2jri s GLU 90 N -4.93 1.55 -0.30 1.70 2.12 -0.99 -3.50 118.70 114.35 2jri s GLU 90 Ca 0.57 -0.65 -0.09 0.00 0.36 0.00 0.00 54.97 55.16 2jri s GLU 90 Cb -0.10 -1.47 -0.01 0.00 0.26 0.00 0.00 34.13 32.81 2jri s GLU 90 CO 0.42 0.37 0.12 -1.17 -0.54 0.00 0.00 175.26 174.46 2jri s LEU 91 N -0.34 3.95 -0.18 2.70 2.96 -1.26 -0.26 118.68 126.24 2jri s LEU 91 Ca 0.05 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 2jri s LEU 91 Cb -0.08 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 2jri s LEU 91 CO -0.00 -0.17 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.15 2jri s ILE 92 N 1.59 3.21 -0.92 6.68 -1.09 0.61 -4.94 121.20 126.33 2jri s ILE 92 Ca 0.04 -0.57 -0.22 0.00 -2.23 0.00 0.00 60.65 57.67 2jri s ILE 92 Cb -0.17 -2.41 0.07 0.00 -1.58 0.00 0.00 42.46 38.37 2jri s ILE 92 CO 0.05 0.47 1.30 -0.22 -1.23 0.00 0.00 174.94 175.31 2jri s LEU 93 N 1.02 3.94 0.39 2.97 2.96 -1.26 -0.40 118.68 128.29 2jri s LEU 93 Ca -0.00 -1.42 0.28 0.00 -0.22 0.00 0.00 54.13 52.76 2jri s LEU 93 Cb -0.15 -2.51 1.30 0.00 0.50 0.00 0.00 46.19 45.34 2jri s LEU 93 CO -0.01 -1.43 1.84 0.15 -1.32 0.00 0.00 176.35 175.57 2jri h PHE 94 N 9.56 0.00 0.00 5.38 3.57 -0.99 -2.40 116.94 132.06 2jri h PHE 94 Ca 0.08 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2jri h PHE 94 Cb 1.02 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 2jri h PHE 94 CO 1.20 0.00 -0.42 -0.97 -2.23 0.00 0.00 178.31 175.89 2jri h ASN 95 N 0.00 0.00 -3.42 0.41 -1.24 -1.88 -3.25 115.58 106.21 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 0.24 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.29 2jri h ASN 95 CO 0.00 0.42 0.52 -0.44 -1.29 0.00 0.00 177.43 176.64 2jri s SER 96 N -6.79 7.17 0.38 1.15 0.01 -0.90 -4.85 113.70 109.87 2jri s SER 96 Ca -0.02 2.08 0.19 0.00 1.31 0.00 0.00 55.95 59.51 2jri s SER 96 Cb 0.13 -2.60 1.14 0.00 0.21 0.00 0.00 66.02 64.91 2jri s SER 96 CO 0.72 -0.34 1.71 -0.65 0.41 0.00 0.00 173.24 175.10 2jri h PRO 97 N 5.75 0.33 -0.29 12.44 0.11 -1.88 0.27 132.00 148.72 2jri h PRO 97 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 2jri h PRO 97 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2jri h PRO 97 CO 0.76 0.22 -0.11 1.05 -0.21 0.00 0.00 178.00 179.71 2jri h GLU 98 N 0.34 0.48 -0.01 1.05 9.09 -1.92 -2.92 114.58 120.70 2jri h GLU 98 Ca 0.68 -0.13 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2jri h GLU 98 Cb 1.73 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.77 2jri h GLU 98 CO -0.41 0.60 -0.43 0.66 0.05 0.00 0.00 179.01 179.48 2jri n TYR 99 N -4.22 0.00 1.83 2.06 4.01 0.19 -4.19 117.16 116.84 2jri n TYR 99 Ca 0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 2jri n TYR 99 Cb 0.31 0.00 0.41 0.00 -0.31 0.00 0.00 39.34 39.75 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 -0.06 1.15 -1.84 -0.72 7.27 0.70 -3.53 117.38 120.35 2jri n GLN 100 Ca 0.08 -0.23 -0.20 0.00 0.07 0.00 0.00 57.00 56.72 2jri n GLN 100 Cb 0.42 -1.26 0.05 0.00 2.41 0.00 0.00 30.24 31.86 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 -0.50 3.32 0.14 3.69 1.85 -1.25 -4.69 116.66 119.23 2jri n ARG 101 Ca 0.12 -4.04 0.04 0.00 -1.00 0.00 0.00 57.85 52.96 2jri n ARG 101 Cb 0.11 -2.18 0.03 0.00 -1.05 0.00 0.00 32.46 29.37 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 2.03 0.00 1.56 2.89 8.10 -1.87 -3.47 115.31 124.55 2jri h LEU 102 Ca 0.31 0.00 -0.40 0.00 0.11 0.00 0.00 57.88 57.90 2jri h LEU 102 Cb 1.47 0.00 0.03 0.00 -0.44 0.00 0.00 40.66 41.71 2jri h LEU 102 CO 0.65 0.43 -0.58 0.54 -4.11 0.00 0.00 178.44 175.38 2jri n ARG 103 N -3.17 -3.89 -4.02 0.17 3.00 -1.26 -4.98 116.66 102.51 2jri n ARG 103 Ca 0.01 0.90 -0.35 0.00 -0.01 0.00 0.00 57.85 58.41 2jri n ARG 103 Cb 0.71 -5.70 -0.14 0.00 0.00 0.00 0.00 32.46 27.33 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 -3.11 3.44 -0.11 0.55 1.01 -1.26 -5.06 121.20 116.65 2jri s ILE 104 Ca 0.22 -0.48 -0.37 0.00 0.00 0.00 0.00 60.65 60.02 2jri s ILE 104 Cb -0.10 -2.55 -0.14 0.00 0.01 0.00 0.00 42.46 39.67 2jri s ILE 104 CO 0.27 0.43 1.71 -0.67 0.00 0.00 0.00 174.94 176.68 2jri n ASP 105 N 4.58 2.69 0.28 3.58 2.03 -1.26 -4.86 116.55 123.59 2jri n ASP 105 Ca -0.18 1.05 0.17 0.00 0.52 0.00 0.00 54.79 56.35 2jri n ASP 105 Cb 0.51 -1.25 0.76 0.00 -0.72 0.00 0.00 41.12 40.42 2jri n ASP 105 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jri h PRO 106 N 7.30 0.00 0.00 -0.67 0.13 -1.98 -2.30 132.00 134.48 2jri h PRO 106 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jri h PRO 106 Cb 1.30 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2jri h PRO 106 CO 0.92 0.04 -0.07 0.82 -0.23 0.00 0.00 178.00 179.48 2jri h ILE 107 N 0.00 0.16 -0.50 -3.56 2.04 -1.94 -2.44 117.51 111.27 2jri h ILE 107 Ca -0.00 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.05 2jri h ILE 107 Cb 0.43 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2jri h ILE 107 CO 0.01 0.07 0.00 -3.20 0.00 0.00 0.00 178.15 175.02 2jri n ASN 108 N -3.17 2.69 -2.28 1.72 5.15 -0.87 -4.90 115.26 113.61 2jri n ASN 108 Ca 0.01 -2.01 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 2jri n ASN 108 Cb 0.39 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 0.95 1.31 0.00 1.20 -0.58 -0.92 -5.05 120.64 117.55 2jri n GLU 109 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2jri n GLU 109 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.30 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 -0.12 0.10 -3.37 3.49 0.00 -1.26 -4.98 116.66 110.53 2jri n ARG 110 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 2jri n ARG 110 Cb 0.00 -0.63 -0.04 0.00 -0.00 0.00 0.00 32.46 31.79 2jri n ARG 110 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2jri s SER 111 N -3.10 -0.52 -0.07 2.89 1.04 -1.26 -1.95 113.70 110.73 2jri s SER 111 Ca 0.00 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.14 2jri s SER 111 Cb 0.00 1.58 0.02 0.00 0.10 0.00 0.00 66.02 67.72 2jri s SER 111 CO 0.00 -0.10 -0.11 0.72 0.98 0.00 0.00 173.24 174.73 2jri s PHE 112 N 2.42 1.47 -0.25 5.02 -0.71 -1.02 -1.45 117.98 123.46 2jri s PHE 112 Ca -0.02 -0.58 -0.09 0.00 -1.04 0.00 0.00 56.93 55.20 2jri s PHE 112 Cb -0.06 -1.10 -0.04 0.00 -1.21 0.00 0.00 43.02 40.61 2jri s PHE 112 CO -0.17 -0.32 0.12 0.42 -1.34 0.00 0.00 175.22 173.93 2jri s ILE 113 N 0.85 4.88 0.30 -4.49 1.01 0.72 -3.26 121.20 121.20 2jri s ILE 113 Ca -0.11 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2jri s ILE 113 Cb -0.15 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 2jri s ILE 113 CO 0.01 0.33 0.31 0.00 0.00 0.00 0.00 174.94 175.60 2jri s ASN 115 N -3.99 -0.02 -0.39 0.00 2.20 -1.01 0.37 114.94 112.11 2jri s ASN 115 Ca 0.39 -0.11 0.12 0.00 -0.94 0.00 0.00 52.86 52.32 2jri s ASN 115 Cb -0.07 0.23 0.40 0.00 -2.00 0.00 0.00 41.25 39.81 2jri s ASN 115 CO 0.27 -0.33 0.89 0.00 -2.94 0.00 0.00 177.10 174.98 2jri n TYR 116 N 1.64 1.46 0.00 1.54 9.36 0.05 -1.69 117.16 129.53 2jri n TYR 116 Ca -0.21 -3.39 0.00 0.00 3.32 0.00 0.00 57.90 57.61 2jri n TYR 116 Cb 0.56 -0.37 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 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 -0.01 0.00 -0.03 2.98 3.00 -1.26 -4.06 118.16 118.78 2jri n LYS 117 Ca 0.22 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.47 2jri n LYS 117 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 35.03 35.67 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 0.14 -4.09 1.64 0.00 -1.26 -5.05 120.64 112.01 2jri n GLU 118 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 57.16 56.91 2jri n GLU 118 Cb 0.00 -0.91 -0.07 0.00 0.00 0.00 0.00 31.44 30.46 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 -2.12 3.08 0.21 4.31 3.76 -1.26 -5.12 115.29 118.16 2jri s HIS 119 Ca -0.08 0.01 0.11 0.00 -0.15 0.00 0.00 55.06 54.94 2jri s HIS 119 Cb 0.03 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 32.11 2jri s HIS 119 CO 0.12 0.50 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.73 2jri s TRP 120 N -1.43 2.14 -0.33 1.40 0.52 -1.26 -0.77 118.94 119.22 2jri s TRP 120 Ca 0.28 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.02 2jri s TRP 120 Cb -0.12 -1.02 0.08 0.00 -1.15 0.00 0.00 33.47 31.27 2jri s TRP 120 CO 0.21 0.51 0.05 -0.06 0.02 0.00 0.00 176.95 177.67 2jri s PHE 121 N -2.10 3.51 -0.20 -1.98 0.08 0.16 -4.75 117.98 112.71 2jri s PHE 121 Ca 0.22 -2.47 -0.01 0.00 0.12 0.00 0.00 56.93 54.80 2jri s PHE 121 Cb -0.06 -2.62 0.14 0.00 -0.57 0.00 0.00 43.02 39.91 2jri s PHE 121 CO 0.10 -0.91 1.97 2.41 -0.10 0.00 0.00 175.22 178.70 2jri n THR 122 N 4.46 2.46 -1.32 0.64 -1.04 -1.19 -0.94 114.28 117.35 2jri n THR 122 Ca -0.05 -1.21 -0.55 0.00 -2.04 0.00 0.00 64.05 60.20 2jri n THR 122 Cb 0.42 -1.37 -0.13 0.00 -1.82 0.00 0.00 70.33 67.44 2jri n THR 122 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jri n VAL 123 N 0.72 0.00 -4.26 12.58 0.31 -1.20 -4.22 118.33 122.26 2jri n VAL 123 Ca 0.19 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.20 2jri n VAL 123 Cb 0.57 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 2jri n VAL 123 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2jri s ARG 124 N 6.72 2.43 0.19 5.55 6.06 -0.53 -2.43 118.95 136.94 2jri s ARG 124 Ca 1.23 -0.85 -0.30 0.00 -2.50 0.00 0.00 55.73 53.31 2jri s ARG 124 Cb -1.42 -2.47 -0.08 0.00 0.06 0.00 0.00 34.95 31.05 2jri s ARG 124 CO 0.61 0.55 0.97 0.21 -2.50 0.00 0.00 175.30 175.15 2jri s LYS 125 N -1.99 4.76 -0.05 5.12 2.20 -0.82 -1.56 119.74 127.40 2jri s LYS 125 Ca 0.22 1.52 -0.01 0.00 -0.36 0.00 0.00 55.97 57.34 2jri s LYS 125 Cb -0.11 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2jri s LYS 125 CO 0.14 0.34 0.00 -0.51 -0.36 0.00 0.00 175.35 174.96 2jri s LEU 126 N -0.68 0.80 0.00 5.43 1.02 -0.02 -4.75 118.68 120.49 2jri s LEU 126 Ca 0.44 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.54 2jri s LEU 126 Cb -0.26 -0.34 0.00 0.00 0.02 0.00 0.00 46.19 45.61 2jri s LEU 126 CO 0.32 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.15 2jri n GLY 127 N 4.71 0.58 0.00 -3.19 0.00 -0.93 -0.50 105.19 105.86 2jri n GLY 127 Ca -0.15 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 1.16 -1.37 1.61 0.00 -1.26 -4.95 118.16 113.36 2jri n LYS 128 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.24 2jri n LYS 128 Cb 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 35.03 34.98 2jri n LYS 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jri n GLN 129 N -0.16 0.50 -4.14 1.64 3.00 0.35 -4.98 117.38 113.59 2jri n GLN 129 Ca 0.00 -0.94 -0.17 0.00 -0.01 0.00 0.00 57.00 55.88 2jri n GLN 129 Cb 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 30.24 29.94 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2jri s TRP 130 N -0.70 1.04 -0.04 1.08 0.52 -1.14 -0.84 118.94 118.85 2jri s TRP 130 Ca 0.22 -0.47 -0.02 0.00 0.02 0.00 0.00 56.10 55.85 2jri s TRP 130 Cb -0.01 -0.60 0.03 0.00 -1.15 0.00 0.00 33.47 31.75 2jri s TRP 130 CO 0.14 0.01 0.09 -0.06 0.02 0.00 0.00 176.95 177.15 2jri s PHE 131 N -1.30 -0.06 0.10 -1.98 0.08 -0.60 -2.27 117.98 111.95 2jri s PHE 131 Ca -0.04 0.32 -0.26 0.00 0.12 0.00 0.00 56.93 57.06 2jri s PHE 131 Cb -0.10 -0.21 -0.06 0.00 -0.57 0.00 0.00 43.02 42.08 2jri s PHE 131 CO 0.02 -0.15 0.81 1.21 -0.10 0.00 0.00 175.22 177.01 2jri s ASN 132 N 1.33 7.34 -0.14 1.36 2.47 -1.25 -1.45 114.94 124.60 2jri s ASN 132 Ca -0.07 1.60 0.00 0.00 0.42 0.00 0.00 52.86 54.81 2jri s ASN 132 Cb -0.12 -2.51 0.02 0.00 -1.45 0.00 0.00 41.25 37.19 2jri s ASN 132 CO -0.04 0.07 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.52 2jri s LEU 133 N -0.43 1.57 -0.03 3.21 1.43 -1.26 -3.63 118.68 119.55 2jri s LEU 133 Ca 0.39 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2jri s LEU 133 Cb -0.22 -1.10 0.05 0.00 0.03 0.00 0.00 46.19 44.95 2jri s LEU 133 CO 0.26 -0.07 0.52 0.21 0.23 0.00 0.00 176.35 177.49 2jri s ASN 134 N 1.54 -0.45 -1.43 2.29 2.47 -1.26 -3.15 114.94 114.94 2jri s ASN 134 Ca 0.05 0.42 -0.09 0.00 0.42 0.00 0.00 52.86 53.66 2jri s ASN 134 Cb -0.13 0.44 -0.08 0.00 -1.45 0.00 0.00 41.25 40.04 2jri s ASN 134 CO -0.10 -0.55 2.71 -1.20 -3.72 0.00 0.00 177.10 174.24 2jri n SER 135 N 1.02 7.59 0.00 -4.21 7.64 -1.26 -3.79 113.62 120.61 2jri n SER 135 Ca -0.20 -2.51 0.00 0.00 1.01 0.00 0.00 58.87 57.17 2jri n SER 135 Cb 0.57 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 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 3.85 0.00 -4.60 -3.43 7.94 -1.26 -5.11 117.00 114.39 2jri n LEU 136 Ca 0.69 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 55.21 2jri n LEU 136 Cb 0.21 0.07 0.05 0.00 0.53 0.00 0.00 43.42 44.28 2jri n LEU 136 CO 0.82 -0.43 0.49 0.00 -1.11 0.00 0.00 177.39 177.15 2jri n LEU 137 N -2.30 3.20 -2.17 -1.96 -0.00 -1.25 -4.90 117.00 107.62 2jri n LEU 137 Ca 0.00 0.82 -0.19 0.00 -0.00 0.00 0.00 56.01 56.64 2jri n LEU 137 Cb 0.00 -1.36 0.21 0.00 -0.00 0.00 0.00 43.42 42.28 2jri n LEU 137 CO 0.00 -1.97 1.22 1.07 -0.00 0.00 0.00 177.39 177.71 2jri n THR 138 N -1.59 3.14 0.00 1.47 5.66 -1.26 -4.91 114.28 116.79 2jri n THR 138 Ca 0.13 -1.86 0.00 0.00 -3.05 0.00 0.00 64.05 59.27 2jri n THR 138 Cb 0.46 -0.44 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 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 -0.90 1.84 3.74 1.09 0.00 -1.26 -5.14 105.19 104.56 2jri n GLY 139 Ca 0.55 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.64 4.16 0.03 1.61 0.02 -1.26 -4.94 135.00 132.98 2jri s PRO 140 Ca 0.00 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.23 2jri s PRO 140 Cb 0.00 -3.07 -0.06 0.00 0.02 0.00 0.00 34.50 31.38 2jri s PRO 140 CO 0.00 -0.63 1.47 -1.21 -0.33 0.00 0.00 177.00 176.30 2jri s GLU 141 N 0.27 4.26 -0.95 5.54 2.02 -1.24 -4.89 118.70 123.71 2jri s GLU 141 Ca 0.67 2.07 -0.24 0.00 0.02 0.00 0.00 54.97 57.50 2jri s GLU 141 Cb -0.47 -3.55 -0.02 0.00 0.10 0.00 0.00 34.13 30.19 2jri s GLU 141 CO 0.40 -0.61 1.80 -1.17 0.02 0.00 0.00 175.26 175.70 2jri s LEU 142 N 2.35 3.27 -0.57 1.80 2.96 -1.26 -3.88 118.68 123.35 2jri s LEU 142 Ca 0.67 -0.97 -0.20 0.00 -0.22 0.00 0.00 54.13 53.41 2jri s LEU 142 Cb -0.34 -2.56 0.08 0.00 0.50 0.00 0.00 46.19 43.86 2jri s LEU 142 CO 0.28 -2.37 0.73 -0.63 -1.32 0.00 0.00 176.35 173.04 2jri s ILE 143 N 8.54 4.73 0.87 6.68 1.01 -0.96 -5.05 121.20 137.01 2jri s ILE 143 Ca 0.63 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 2jri s ILE 143 Cb -0.04 -4.46 0.13 0.00 0.01 0.00 0.00 42.46 38.11 2jri s ILE 143 CO -0.03 -1.06 1.23 -0.94 0.00 0.00 0.00 174.94 174.14 2jri s SER 144 N 3.25 3.89 0.03 3.58 1.04 -1.26 -2.89 113.70 121.34 2jri s SER 144 Ca 0.16 0.49 -0.16 0.00 0.48 0.00 0.00 55.95 56.92 2jri s SER 144 Cb -0.20 -0.78 -0.08 0.00 0.10 0.00 0.00 66.02 65.06 2jri s SER 144 CO 0.10 -2.26 1.24 0.44 0.98 0.00 0.00 173.24 173.74 2jri h ASP 145 N -1.28 -0.57 0.08 7.02 5.19 -1.96 -0.17 116.42 124.73 2jri h ASP 145 Ca -0.45 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 55.99 2jri h ASP 145 Cb 1.28 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.97 2jri h ASP 145 CO 0.52 -0.31 -0.07 0.74 -3.12 0.00 0.00 179.24 177.00 2jri h THR 146 N -0.48 1.04 -0.28 0.35 2.02 -2.01 -2.45 112.91 111.10 2jri h THR 146 Ca -0.04 -0.25 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 2jri h THR 146 Cb 0.40 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2jri h THR 146 CO 0.01 0.07 -0.10 0.22 0.37 0.00 0.00 175.52 176.09 2jri h TYR 147 N 0.00 0.65 -0.61 3.16 3.20 -1.89 -3.01 116.97 118.46 2jri h TYR 147 Ca -0.00 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 61.78 2jri h TYR 147 Cb 0.13 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 2jri h TYR 147 CO 0.00 0.79 0.32 1.25 -1.64 0.00 0.00 178.16 178.87 2jri h LEU 148 N 0.32 0.45 -0.69 2.82 5.85 -0.53 0.49 115.31 124.02 2jri h LEU 148 Ca 0.07 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2jri h LEU 148 Cb 0.59 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 2jri h LEU 148 CO 0.03 0.29 0.38 0.00 -0.34 0.00 0.00 178.44 178.81 2jri h ALA 149 N 1.33 0.94 -0.07 1.25 0.00 -1.49 0.68 119.26 121.90 2jri h ALA 149 Ca 0.28 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.03 2jri h ALA 149 Cb 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2jri h ALA 149 CO -0.19 0.06 -0.66 1.25 0.00 0.00 0.00 179.25 179.71 2jri h LEU 150 N 0.70 0.71 -0.66 0.00 5.85 -1.24 -3.21 115.31 117.46 2jri h LEU 150 Ca 0.31 -0.68 0.08 0.00 0.84 0.00 0.00 57.88 58.43 2jri h LEU 150 Cb 0.21 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2jri h LEU 150 CO -0.19 1.28 0.33 0.15 -0.34 0.00 0.00 178.44 179.67 2jri h PHE 151 N 0.19 0.59 -0.82 1.25 3.57 0.43 0.70 116.94 122.86 2jri h PHE 151 Ca -0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2jri h PHE 151 Cb 1.32 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 2jri h PHE 151 CO 0.11 0.24 0.51 -0.07 -2.23 0.00 0.00 178.31 176.87 2jri h LEU 152 N 0.58 0.80 -0.48 0.59 -0.00 -0.92 -0.90 115.31 114.99 2jri h LEU 152 Ca 0.32 0.01 -0.17 0.00 -0.00 0.00 0.00 57.88 58.04 2jri h LEU 152 Cb 0.29 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 2jri h LEU 152 CO -0.24 0.52 -0.65 0.00 -0.00 0.00 0.00 178.44 178.07 2jri h ALA 153 N 1.38 0.67 -0.70 1.53 0.00 -1.29 -3.06 119.26 117.79 2jri h ALA 153 Ca 0.35 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2jri h ALA 153 Cb 0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jri h ALA 153 CO -0.16 0.73 0.29 1.96 0.00 0.00 0.00 179.25 182.07 2jri h GLN 154 N 0.30 1.04 -0.93 0.00 1.08 -0.08 -1.05 115.11 115.47 2jri h GLN 154 Ca -0.01 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2jri h GLN 154 Cb 1.20 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.42 2jri h GLN 154 CO 0.11 0.85 0.59 -0.07 -0.95 0.00 0.00 178.83 179.36 2jri h LEU 155 N 0.99 1.10 -0.27 1.46 3.38 -1.16 -0.04 115.31 120.77 2jri h LEU 155 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2jri h LEU 155 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jri h LEU 155 CO -0.02 0.83 -0.01 1.56 0.09 0.00 0.00 178.44 180.88 2jri h GLN 156 N 1.28 0.48 -0.52 1.13 4.20 -1.33 0.11 115.11 120.47 2jri h GLN 156 Ca 0.34 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 2jri h GLN 156 Cb -0.09 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2jri h GLN 156 CO -0.07 0.66 0.17 1.96 -0.67 0.00 0.00 178.83 180.88 2jri h GLN 157 N 0.25 0.80 0.15 1.46 4.20 -0.81 -3.18 115.11 117.99 2jri h GLN 157 Ca 0.07 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2jri h GLN 157 Cb 0.45 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2jri h GLN 157 CO 0.02 0.74 -0.07 1.49 -0.67 0.00 0.00 178.83 180.33 2jri h GLU 158 N 0.71 -0.19 0.00 1.46 4.57 -0.99 -3.48 114.58 116.66 2jri h GLU 158 Ca 0.17 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 2jri h GLU 158 Cb 0.26 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2jri h GLU 158 CO -0.01 0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.34 2jri n GLY 159 N -0.38 0.49 0.00 1.92 0.00 -0.54 -5.11 105.19 101.57 2jri n GLY 159 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.21 -3.32 1.61 4.02 0.28 -4.82 117.16 113.72 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 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 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 0.59 -0.58 7.72 0.01 -0.68 -4.89 113.70 114.87 2jri s SER 161 Ca 0.00 -0.96 -0.28 0.00 1.31 0.00 0.00 55.95 56.02 2jri s SER 161 Cb 0.00 0.93 0.02 0.00 0.21 0.00 0.00 66.02 67.18 2jri s SER 161 CO 0.00 -0.30 1.30 -0.63 0.41 0.00 0.00 173.24 174.02 2jri s ILE 162 N 1.99 3.90 -0.60 1.44 1.01 -1.26 -2.39 121.20 125.28 2jri s ILE 162 Ca 0.13 0.77 -0.15 0.00 0.00 0.00 0.00 60.65 61.41 2jri s ILE 162 Cb -0.13 -4.61 0.15 0.00 0.01 0.00 0.00 42.46 37.89 2jri s ILE 162 CO -0.17 -1.29 0.56 -0.36 0.00 0.00 0.00 174.94 173.68 2jri s PHE 163 N 5.49 3.37 -0.04 3.97 0.08 0.85 -0.40 117.98 131.31 2jri s PHE 163 Ca 0.47 -1.48 -0.20 0.00 0.12 0.00 0.00 56.93 55.84 2jri s PHE 163 Cb -0.09 -3.79 -0.05 0.00 -0.57 0.00 0.00 43.02 38.52 2jri s PHE 163 CO 0.25 -1.01 0.56 0.54 -0.10 0.00 0.00 175.22 175.45 2jri s VAL 164 N 1.25 5.00 -0.19 -0.44 0.11 0.47 -0.20 120.40 126.40 2jri s VAL 164 Ca 0.07 1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 60.10 2jri s VAL 164 Cb -0.25 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.67 2jri s VAL 164 CO 0.00 0.40 0.42 -0.69 -3.33 0.00 0.00 175.10 171.90 2jri s VAL 165 N 0.01 5.19 -0.02 2.04 1.01 -0.53 -0.28 120.40 127.81 2jri s VAL 165 Ca 0.30 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 2jri s VAL 165 Cb -0.17 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2jri s VAL 165 CO 0.15 0.26 0.12 -0.54 0.00 0.00 0.00 175.10 175.08 2jri s LYS 166 N 1.21 3.22 0.00 2.72 -0.14 0.64 -4.52 119.74 122.87 2jri s LYS 166 Ca 0.21 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.42 2jri s LYS 166 Cb -0.15 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 2jri s LYS 166 CO 0.08 0.67 0.00 0.41 -0.76 0.00 0.00 175.35 175.76 2jri n GLY 167 N 1.25 0.53 3.31 -3.33 0.00 -1.26 -2.34 105.19 103.34 2jri n GLY 167 Ca -0.13 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 2jri n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jri s ASP 168 N -4.00 5.78 -0.09 1.61 1.11 -1.26 -4.99 116.67 114.84 2jri s ASP 168 Ca 0.00 -1.43 -0.07 0.00 0.18 0.00 0.00 52.55 51.23 2jri s ASP 168 Cb 0.00 -2.04 -0.04 0.00 1.07 0.00 0.00 42.92 41.90 2jri s ASP 168 CO 0.00 -0.56 0.18 -0.76 1.18 0.00 0.00 175.17 175.22 2jri s LEU 169 N 1.49 4.40 0.47 1.23 1.02 -1.26 -5.01 118.68 121.02 2jri s LEU 169 Ca 0.03 0.52 -0.24 0.00 0.02 0.00 0.00 54.13 54.46 2jri s LEU 169 Cb -0.23 -2.23 -0.07 0.00 0.02 0.00 0.00 46.19 43.68 2jri s LEU 169 CO 0.04 0.37 1.37 -2.16 0.02 0.00 0.00 176.35 175.99 2jri s PRO 170 N -1.18 3.57 0.00 1.29 0.04 -1.26 -5.04 135.00 132.43 2jri s PRO 170 Ca 0.18 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.50 2jri s PRO 170 Cb -0.13 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.87 2jri s PRO 170 CO 0.07 -0.86 0.00 -0.40 0.04 0.00 0.00 177.00 175.85 2jri n ASP 171 N -0.41 1.19 -1.30 6.66 5.75 -1.26 -4.76 116.55 122.43 2jri n ASP 171 Ca 0.07 -0.60 -0.02 0.00 -0.01 0.00 0.00 54.79 54.23 2jri n ASP 171 Cb 0.43 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.80 -0.00 0.00 4.57 -1.96 -0.42 114.58 117.57 2jri h GLU 173 Ca -0.06 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2jri h GLU 173 Cb 0.21 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2jri h GLU 173 CO 0.07 0.53 0.03 0.00 -1.18 0.00 0.00 179.01 178.46 2jri h ALA 174 N 1.57 1.10 0.00 2.92 0.00 -1.95 0.48 119.26 123.38 2jri h ALA 174 Ca 0.45 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.09 2jri h ALA 174 Cb 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2jri h ALA 174 CO -0.22 -0.03 -1.86 -3.47 0.00 0.00 0.00 179.25 173.67 2jri n ASP 175 N -3.16 0.57 0.08 0.00 2.03 -0.19 -3.39 116.55 112.48 2jri n ASP 175 Ca -0.03 0.27 0.05 0.00 0.52 0.00 0.00 54.79 55.59 2jri n ASP 175 Cb 0.10 0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.86 2jri n ASP 175 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jri h GLN 176 N 0.00 0.00 0.00 -0.67 4.20 -0.77 -2.48 115.11 115.39 2jri h GLN 176 Ca -0.33 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 2jri h GLN 176 Cb 1.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.72 2jri h GLN 176 CO 0.05 0.21 -1.41 1.47 -0.67 0.00 0.00 178.83 178.48 2jri n LEU 177 N -2.88 0.58 -1.18 1.46 -0.00 0.15 -4.22 117.00 110.91 2jri n LEU 177 Ca -0.04 0.23 -0.00 0.00 -0.00 0.00 0.00 56.01 56.20 2jri n LEU 177 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 2jri n LEU 177 CO 0.41 -0.05 0.68 -0.11 -0.00 0.00 0.00 177.39 178.32 2jri n LEU 178 N -2.60 3.84 0.00 1.47 -0.00 -1.22 -3.62 117.00 114.87 2jri n LEU 178 Ca -0.04 -1.83 0.11 0.00 -0.00 0.00 0.00 56.01 54.25 2jri n LEU 178 Cb 0.63 -0.72 0.02 0.00 -0.00 0.00 0.00 43.42 43.35 2jri n LEU 178 CO 0.42 0.68 0.10 0.00 -0.00 0.00 0.00 177.39 178.60 2jri n GLN 179 N 0.85 0.07 -2.68 1.96 1.13 -1.26 -3.99 117.38 113.45 2jri n GLN 179 Ca 0.00 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2jri n GLN 179 Cb 0.50 -1.52 0.06 0.00 0.11 0.00 0.00 30.24 29.39 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 -1.60 1.15 -4.21 -1.09 0.00 -1.24 -5.05 117.12 105.09 2jri n MET 180 Ca 0.04 -2.84 -0.33 0.00 0.00 0.00 0.00 57.70 54.57 2jri n MET 180 Cb 0.36 -0.90 -0.16 0.00 0.00 0.00 0.00 33.22 32.52 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 -2.14 2.30 0.00 3.17 -1.09 -1.26 -5.19 121.20 116.98 2jri s ILE 181 Ca 0.26 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.81 2jri s ILE 181 Cb 0.44 -1.97 0.00 0.00 -1.58 0.00 0.00 42.46 39.35 2jri s ILE 181 CO 0.00 0.52 0.00 -1.14 -1.23 0.00 0.00 174.94 173.09