#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 1.20 -1.83 2.12 4.71 -1.26 -4.96 120.64 120.61 2jri n GLU 2 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.80 2jri n GLU 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 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 -0.49 4.85 -0.02 1.62 0.01 -1.26 -4.93 113.70 113.48 2jri s SER 3 Ca 0.00 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.77 2jri s SER 3 Cb 0.00 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 2jri s SER 3 CO 0.00 -2.71 -0.13 -0.63 0.41 0.00 0.00 173.24 170.18 2jri s ILE 4 N 10.74 1.04 -1.30 1.44 1.01 -1.26 -3.16 121.20 129.71 2jri s ILE 4 Ca 0.80 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 60.75 2jri s ILE 4 Cb -0.14 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.48 2jri s ILE 4 CO 0.19 0.30 1.89 0.49 0.00 0.00 0.00 174.94 177.82 2jri n PHE 5 N 3.03 4.06 -2.73 3.97 3.01 -1.26 -4.83 117.46 122.70 2jri n PHE 5 Ca -0.16 -2.68 -0.43 0.00 1.01 0.00 0.00 57.45 55.19 2jri n PHE 5 Cb 0.54 -2.57 0.01 0.00 -0.01 0.00 0.00 39.48 37.45 2jri n PHE 5 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jri n HIS 6 N 8.43 2.76 -2.11 1.38 -0.00 -1.26 -4.64 115.22 119.78 2jri n HIS 6 Ca 0.49 -2.75 -0.42 0.00 0.46 0.00 0.00 57.72 55.50 2jri n HIS 6 Cb 0.44 -1.60 -0.03 0.00 -0.12 0.00 0.00 29.99 28.69 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 -1.25 4.22 -0.11 1.57 0.41 -1.26 -5.00 118.70 117.28 2jri s GLU 7 Ca 0.35 2.08 0.03 0.00 -0.41 0.00 0.00 54.97 57.02 2jri s GLU 7 Cb 0.06 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 2jri s GLU 7 CO 0.05 -0.74 -0.23 0.21 -0.49 0.00 0.00 175.26 174.06 2jri s LYS 8 N 3.37 3.07 0.19 1.61 2.47 -1.26 -4.87 119.74 124.31 2jri s LYS 8 Ca 0.69 -0.86 0.00 0.00 -1.56 0.00 0.00 55.97 54.24 2jri s LYS 8 Cb -0.32 -2.36 -0.04 0.00 -1.46 0.00 0.00 37.83 33.65 2jri s LYS 8 CO 0.27 0.13 0.07 1.14 0.16 0.00 0.00 175.35 177.12 2jri s GLN 9 N 0.47 1.16 -0.19 4.03 0.00 -1.26 -5.17 119.66 118.70 2jri s GLN 9 Ca -0.15 -1.59 -0.16 0.00 -0.00 0.00 0.00 55.36 53.46 2jri s GLN 9 Cb -0.17 -0.00 0.05 0.00 0.00 0.00 0.00 33.01 32.88 2jri s GLN 9 CO 0.06 -0.27 0.49 -2.00 0.00 0.00 0.00 175.29 173.57 2jri s GLU 10 N -4.04 0.56 0.00 9.60 2.12 -1.26 -4.92 118.70 120.76 2jri s GLU 10 Ca 0.31 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.35 2jri s GLU 10 Cb 0.07 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.70 2jri s GLU 10 CO 0.08 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2jri n GLY 11 N 3.02 0.27 7.00 -1.50 0.00 -1.26 -5.00 105.19 107.72 2jri n GLY 11 Ca -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.26 -5.15 -3.77 1.61 7.64 -1.26 -4.92 113.62 107.52 2jri n SER 12 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2jri n SER 12 Cb 0.07 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 2jri n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jri n LEU 13 N 0.00 -2.97 0.00 -3.43 7.99 -0.45 -4.84 117.00 113.31 2jri n LEU 13 Ca 0.00 -0.71 0.08 0.00 -0.01 0.00 0.00 56.01 55.36 2jri n LEU 13 Cb 0.00 -2.74 0.41 0.00 -0.11 0.00 0.00 43.42 40.98 2jri n LEU 13 CO 0.00 0.50 0.70 0.00 -1.51 0.00 0.00 177.39 177.09 2jri h ALA 15 N 2.79 1.33 -0.05 0.00 0.00 -1.94 -2.61 119.26 118.77 2jri h ALA 15 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2jri h ALA 15 Cb 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2jri h ALA 15 CO 0.00 0.46 -0.26 0.94 0.00 0.00 0.00 179.25 180.38 2jri n GLN 16 N -4.18 1.88 0.00 0.00 0.00 -1.03 -3.25 117.38 110.81 2jri n GLN 16 Ca -0.01 -0.96 0.00 0.00 -0.00 0.00 0.00 57.00 56.03 2jri n GLN 16 Cb 0.35 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.73 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 2.20 -1.62 -0.04 3.69 -0.00 -1.09 -4.79 115.22 113.56 2jri n HIS 17 Ca 0.37 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.54 2jri n HIS 17 Cb 0.83 0.32 0.27 0.00 -0.12 0.00 0.00 29.99 31.29 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri n LEU 19 N -4.29 2.46 -0.08 0.00 0.00 -1.21 -4.20 117.00 109.69 2jri n LEU 19 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 56.01 56.10 2jri n LEU 19 Cb 0.22 -0.79 0.28 0.00 0.00 0.00 0.00 43.42 43.14 2jri n LEU 19 CO 0.39 0.74 1.05 0.78 0.00 0.00 0.00 177.39 180.34 2jri h ASN 20 N -0.39 0.64 1.54 1.96 4.21 -1.73 0.17 115.58 121.98 2jri h ASN 20 Ca -0.58 -0.08 0.00 0.00 1.21 0.00 0.00 56.30 56.86 2jri h ASN 20 Cb 1.70 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.74 2jri h ASN 20 CO -0.21 0.59 -0.00 0.78 -1.29 0.00 0.00 177.43 177.29 2jri h ASN 21 N 0.70 0.00 0.05 5.81 -0.26 -1.62 -1.38 115.58 118.88 2jri h ASN 21 Ca 0.17 -0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.61 2jri h ASN 21 Cb 0.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 2jri h ASN 21 CO -0.01 0.00 -1.62 -0.11 -1.06 0.00 0.00 177.43 174.63 2jri n LEU 22 N -2.36 2.19 0.13 1.61 -0.00 -0.59 -4.25 117.00 113.72 2jri n LEU 22 Ca 0.05 0.33 0.01 0.00 -0.00 0.00 0.00 56.01 56.40 2jri n LEU 22 Cb 0.44 -1.02 0.07 0.00 -0.00 0.00 0.00 43.42 42.91 2jri n LEU 22 CO 0.31 0.53 0.45 -0.07 -0.00 0.00 0.00 177.39 178.60 2jri h LEU 23 N -0.56 0.00 -2.41 -1.96 3.38 -0.79 -3.47 115.31 109.51 2jri h LEU 23 Ca -0.40 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2jri h LEU 23 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2jri h LEU 23 CO -0.10 0.59 -0.26 0.00 0.09 0.00 0.00 178.44 178.76 2jri n GLN 24 N -3.35 -1.76 -3.52 1.13 1.13 -0.52 -4.59 117.38 105.90 2jri n GLN 24 Ca 0.01 1.72 0.00 0.00 -1.94 0.00 0.00 57.00 56.79 2jri n GLN 24 Cb 0.72 -5.54 0.00 0.00 0.11 0.00 0.00 30.24 25.54 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 -1.15 -1.76 3.42 1.08 0.00 -1.25 -4.57 105.19 100.97 2jri n GLY 25 Ca 0.03 -1.36 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.94 2.98 0.00 1.61 2.02 -1.26 -4.89 118.70 117.22 2jri s GLU 26 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.81 2jri s GLU 26 Cb 0.00 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 30.17 2jri s GLU 26 CO 0.00 -0.91 0.00 0.66 0.02 0.00 0.00 175.26 175.03 2jri n TYR 27 N 5.22 0.00 -1.54 1.61 4.01 -1.26 -5.11 117.16 120.09 2jri n TYR 27 Ca -0.12 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.30 2jri n TYR 27 Cb 0.45 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.55 2jri n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jri s PHE 28 N 0.00 2.63 0.06 -0.72 0.40 -1.26 -5.07 117.98 114.02 2jri s PHE 28 Ca 0.00 1.55 0.05 0.00 -0.60 0.00 0.00 56.93 57.93 2jri s PHE 28 Cb 0.00 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.39 2jri s PHE 28 CO 0.00 -1.71 -0.06 0.45 0.70 0.00 0.00 175.22 174.60 2jri s SER 29 N -2.98 4.64 0.30 1.36 0.15 -1.26 -5.03 113.70 110.88 2jri s SER 29 Ca 0.64 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 57.10 2jri s SER 29 Cb -0.19 -1.02 0.66 0.00 -1.71 0.00 0.00 66.02 63.76 2jri s SER 29 CO 0.48 0.22 1.82 1.55 1.20 0.00 0.00 173.24 178.51 2jri h PRO 30 N 3.97 0.84 0.00 5.44 0.13 -2.01 -0.44 132.00 139.94 2jri h PRO 30 Ca -0.48 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 64.41 2jri h PRO 30 Cb 1.17 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2jri h PRO 30 CO 0.55 0.56 -0.91 -0.24 -0.23 0.00 0.00 178.00 177.72 2jri h VAL 31 N 0.87 1.41 -0.16 1.56 3.04 -2.02 -3.26 116.25 117.69 2jri h VAL 31 Ca 0.52 -3.03 -0.11 0.00 -1.01 0.00 0.00 66.70 63.08 2jri h VAL 31 Cb 0.69 2.69 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 2jri h VAL 31 CO -0.30 0.80 -0.37 -0.08 -1.01 0.00 0.00 177.57 176.61 2jri h GLU 32 N 0.00 0.33 -0.60 4.17 4.81 -1.58 -2.86 114.58 118.85 2jri h GLU 32 Ca -0.03 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2jri h GLU 32 Cb 1.67 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 31.01 2jri h GLU 32 CO 0.11 0.66 0.40 -0.07 -0.73 0.00 0.00 179.01 179.38 2jri h LEU 33 N 0.28 0.48 -1.17 1.64 3.38 -1.18 0.44 115.31 119.19 2jri h LEU 33 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2jri h LEU 33 Cb 0.79 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2jri h LEU 33 CO 0.06 0.31 -0.38 0.28 0.09 0.00 0.00 178.44 178.81 2jri h SER 34 N 0.55 0.00 -0.00 -0.43 0.02 -1.65 -1.98 113.55 110.06 2jri h SER 34 Ca 0.26 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2jri h SER 34 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2jri h SER 34 CO -0.08 0.38 -0.20 0.28 -1.14 0.00 0.00 176.83 176.07 2jri h SER 35 N 0.00 0.18 0.13 3.07 0.02 -1.00 -2.88 113.55 113.07 2jri h SER 35 Ca -0.00 -0.78 -0.07 0.00 -0.84 0.00 0.00 61.79 60.09 2jri h SER 35 Cb 0.76 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2jri h SER 35 CO 0.05 0.94 -0.25 0.16 -1.14 0.00 0.00 176.83 176.59 2jri h ILE 36 N -0.56 1.23 0.00 3.27 3.07 -1.36 -1.50 117.51 121.66 2jri h ILE 36 Ca -0.03 -1.07 -0.01 0.00 1.55 0.00 0.00 64.86 65.31 2jri h ILE 36 Cb 0.97 1.42 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2jri h ILE 36 CO 0.04 0.32 -0.05 0.00 -1.05 0.00 0.00 178.15 177.42 2jri h ALA 37 N 1.56 1.00 0.00 0.16 0.00 -1.41 -2.41 119.26 118.17 2jri h ALA 37 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jri h ALA 37 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2jri h ALA 37 CO 0.04 0.06 0.00 1.58 0.00 0.00 0.00 179.25 180.92 2jri n HIS 38 N -3.15 0.00 0.25 0.00 -0.00 -0.57 -2.95 115.22 108.79 2jri n HIS 38 Ca 0.01 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.28 2jri n HIS 38 Cb 0.35 -0.38 0.63 0.00 -0.12 0.00 0.00 29.99 30.48 2jri n HIS 38 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2jri h GLN 39 N 0.00 0.00 -0.16 1.57 4.15 -1.47 -1.28 115.11 117.93 2jri h GLN 39 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 2jri h GLN 39 Cb 0.32 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jri h GLN 39 CO 0.00 0.13 -0.19 -0.07 -1.93 0.00 0.00 178.83 176.77 2jri h LEU 40 N 0.00 0.26 -0.79 -2.39 -0.00 -1.69 0.19 115.31 110.88 2jri h LEU 40 Ca -0.00 -0.07 -0.07 0.00 -0.00 0.00 0.00 57.88 57.74 2jri h LEU 40 Cb 0.28 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 40.84 2jri h LEU 40 CO 0.02 0.47 0.09 -0.78 -0.00 0.00 0.00 178.44 178.23 2jri h ASP 41 N 0.25 0.95 -0.42 -0.43 3.58 -0.50 0.43 116.42 120.28 2jri h ASP 41 Ca 0.05 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.22 2jri h ASP 41 Cb 0.49 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2jri h ASP 41 CO 0.03 0.96 0.06 -0.08 -2.88 0.00 0.00 179.24 177.33 2jri h GLU 42 N 0.93 0.70 -0.35 0.28 4.57 -1.21 0.47 114.58 119.97 2jri h GLU 42 Ca 0.19 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2jri h GLU 42 Cb 0.42 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2jri h GLU 42 CO 0.01 0.74 0.09 1.49 -1.18 0.00 0.00 179.01 180.16 2jri h GLU 43 N 0.56 0.56 -0.46 1.92 4.81 -0.52 -2.09 114.58 119.36 2jri h GLU 43 Ca 0.13 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2jri h GLU 43 Cb 0.38 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2jri h GLU 43 CO 0.01 0.61 0.05 0.93 -0.73 0.00 0.00 179.01 179.88 2jri h GLU 44 N 0.41 0.73 -0.77 1.92 4.39 -0.02 -1.59 114.58 119.65 2jri h GLU 44 Ca 0.11 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2jri h GLU 44 Cb 0.30 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2jri h GLU 44 CO 0.00 0.71 0.32 -0.09 -1.16 0.00 0.00 179.01 178.79 2jri h ARG 45 N 0.69 1.14 -0.63 2.33 2.43 -0.61 0.18 114.38 119.91 2jri h ARG 45 Ca 0.15 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2jri h ARG 45 Cb 0.36 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2jri h ARG 45 CO 0.01 0.91 0.26 0.52 -1.51 0.00 0.00 179.97 180.16 2jri h MET 46 N 1.12 0.94 -0.71 0.20 2.86 -0.77 0.08 114.93 118.65 2jri h MET 46 Ca 0.26 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2jri h MET 46 Cb 0.19 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2jri h MET 46 CO -0.02 0.78 0.35 -0.09 1.06 0.00 0.00 176.91 178.99 2jri h ARG 47 N 0.88 1.01 -0.41 1.72 1.12 -0.59 -2.25 114.38 115.86 2jri h ARG 47 Ca 0.21 -0.14 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 2jri h ARG 47 Cb 0.19 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 2jri h ARG 47 CO -0.02 0.79 -0.06 0.52 -3.11 0.00 0.00 179.97 178.10 2jri h MET 48 N 0.98 0.70 -0.10 0.20 2.86 -0.21 -1.83 114.93 117.53 2jri h MET 48 Ca 0.24 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2jri h MET 48 Cb 0.11 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2jri h MET 48 CO -0.03 0.76 -0.17 0.00 1.06 0.00 0.00 176.91 178.53 2jri h ALA 49 N 1.29 1.53 0.00 6.32 0.00 -0.50 -1.49 119.26 126.41 2jri h ALA 49 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jri h ALA 49 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jri h ALA 49 CO 0.03 0.34 -0.24 -1.91 0.00 0.00 0.00 179.25 177.46 2jri n GLU 50 N -4.26 0.03 -3.02 0.00 2.13 -0.85 -4.57 120.64 110.10 2jri n GLU 50 Ca -0.01 0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2jri n GLU 50 Cb 0.28 -1.53 -0.01 0.00 0.27 0.00 0.00 31.44 30.45 2jri n GLU 50 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2jri s GLY 51 N -3.08 -1.05 -0.06 8.31 0.00 -0.60 -5.09 107.32 105.75 2jri s GLY 51 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 2jri s GLY 51 CO 0.61 3.52 0.13 -0.32 0.00 0.00 0.00 173.10 177.04 2jri s GLY 52 N 1.26 0.06 -0.01 0.20 0.00 -0.97 -4.61 107.32 103.25 2jri s GLY 52 Ca 0.24 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.46 2jri s GLY 52 CO -0.06 1.32 0.03 -2.08 0.00 0.00 0.00 173.10 172.31 2jri h VAL 53 N 6.28 0.00 -0.67 1.40 2.07 -1.95 -3.49 116.25 119.90 2jri h VAL 53 Ca -0.25 -0.13 -0.63 0.00 0.82 0.00 0.00 66.70 66.50 2jri h VAL 53 Cb 1.12 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 2jri h VAL 53 CO 0.26 0.00 -0.45 -0.89 0.02 0.00 0.00 177.57 176.51 2jri s THR 54 N -1.14 1.52 0.25 2.57 2.01 -1.26 -5.02 115.64 114.57 2jri s THR 54 Ca -0.00 -1.80 -0.04 0.00 0.31 0.00 0.00 61.69 60.16 2jri s THR 54 Cb 0.00 -2.32 0.16 0.00 0.01 0.00 0.00 72.50 70.35 2jri s THR 54 CO 0.00 0.00 1.81 0.28 -0.69 0.00 0.00 174.62 176.02 2jri h SER 55 N 1.20 0.92 0.32 3.53 0.02 -2.01 -2.35 113.55 115.19 2jri h SER 55 Ca -0.42 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.34 2jri h SER 55 Cb 1.30 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 2jri h SER 55 CO 0.69 0.85 -0.19 -0.08 -1.14 0.00 0.00 176.83 176.96 2jri h GLU 56 N 0.96 0.00 -0.13 3.45 4.57 -2.01 -1.72 114.58 119.70 2jri h GLU 56 Ca 0.22 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2jri h GLU 56 Cb 0.25 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 2jri h GLU 56 CO -0.01 0.19 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.55 2jri h ASP 57 N 0.00 0.17 0.00 1.04 3.32 -1.82 0.55 116.42 119.69 2jri h ASP 57 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2jri h ASP 57 Cb 0.41 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2jri h ASP 57 CO 0.03 0.24 0.00 -1.22 -1.72 0.00 0.00 179.24 176.56 2jri n TYR 58 N -4.39 0.00 -0.01 4.55 4.02 -0.65 -2.14 117.16 118.54 2jri n TYR 58 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.87 2jri n TYR 58 Cb 0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.49 2jri n TYR 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jri n ARG 59 N -0.83 0.03 -0.01 -0.72 3.00 -0.02 -4.27 116.66 113.84 2jri n ARG 59 Ca 0.12 0.01 0.04 0.00 -0.01 0.00 0.00 57.85 58.01 2jri n ARG 59 Cb 0.06 -0.62 0.41 0.00 0.00 0.00 0.00 32.46 32.30 2jri n ARG 59 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 2jri h THR 60 N -0.04 1.11 -0.34 0.55 2.02 -0.98 -0.43 112.91 114.79 2jri h THR 60 Ca -0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2jri h THR 60 Cb 1.03 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2jri h THR 60 CO -0.02 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.47 2jri n PHE 61 N -4.47 0.46 0.02 3.16 3.72 -0.91 -4.44 117.46 114.99 2jri n PHE 61 Ca 0.03 -0.45 0.02 0.00 -0.05 0.00 0.00 57.45 57.00 2jri n PHE 61 Cb 0.06 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.55 2jri n PHE 61 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2jri n LEU 62 N 0.60 0.02 -0.90 4.37 7.94 -0.95 -4.48 117.00 123.60 2jri n LEU 62 Ca 0.12 -0.05 0.04 0.00 -1.11 0.00 0.00 56.01 55.01 2jri n LEU 62 Cb 0.43 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.54 2jri n LEU 62 CO 0.08 0.00 0.56 1.67 -1.11 0.00 0.00 177.39 178.60 2jri n GLN 63 N -1.59 2.31 -1.83 1.96 7.27 -0.21 -4.88 117.38 120.41 2jri n GLN 63 Ca -0.01 -1.28 -0.40 0.00 0.07 0.00 0.00 57.00 55.38 2jri n GLN 63 Cb 0.10 -1.60 0.01 0.00 2.41 0.00 0.00 30.24 31.16 2jri n GLN 63 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2jri s GLN 64 N -1.69 3.87 0.89 3.69 1.11 -1.26 -4.97 119.66 121.30 2jri s GLN 64 Ca 0.23 2.44 -0.10 0.00 0.01 0.00 0.00 55.36 57.94 2jri s GLN 64 Cb 0.15 -2.78 0.13 0.00 -1.01 0.00 0.00 33.01 29.50 2jri s GLN 64 CO 0.10 -0.68 1.12 -1.25 0.01 0.00 0.00 175.29 174.59 2jri s PRO 65 N -2.29 1.22 0.00 2.91 0.04 -1.26 -3.44 135.00 132.17 2jri s PRO 65 Ca 0.57 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2jri s PRO 65 Cb -0.44 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2jri s PRO 65 CO 0.58 -2.43 0.00 0.43 0.04 0.00 0.00 177.00 175.62 2jri n SER 66 N -4.08 0.00 0.09 6.66 7.64 -1.25 -4.58 113.62 118.10 2jri n SER 66 Ca 0.10 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.00 2jri n SER 66 Cb 0.53 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.33 0.77 0.23 0.00 -1.87 -2.92 103.07 99.60 2jri h GLY 67 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 47.33 46.86 2jri h GLY 67 CO 0.00 0.18 -1.36 -0.57 0.00 0.00 0.00 176.54 174.78 2jri h ASN 68 N 0.30 0.52 0.00 0.19 -0.73 -1.81 -2.10 115.58 111.95 2jri h ASN 68 Ca 0.06 -0.90 0.00 0.00 1.87 0.00 0.00 56.30 57.33 2jri h ASN 68 Cb 0.31 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2jri h ASN 68 CO 0.01 1.62 0.00 0.80 -0.37 0.00 0.00 177.43 179.49 2jri n MET 69 N -3.87 0.00 0.00 6.67 0.00 -1.10 -4.10 117.12 114.72 2jri n MET 69 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.49 2jri n MET 69 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.17 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 -1.26 0.00 0.08 6.12 2.03 -1.26 -3.82 116.55 118.44 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 -1.51 -0.03 1.67 -0.08 -1.26 -3.97 116.55 111.38 2jri n ASP 71 Ca 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2jri n ASP 71 Cb 0.00 1.64 0.00 0.00 2.34 0.00 0.00 41.12 45.10 2jri n ASP 71 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jri n SER 72 N -2.75 0.00 -0.94 1.67 7.64 -1.26 -4.93 113.62 113.04 2jri n SER 72 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2jri n SER 72 Cb 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 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 1.70 0.00 0.23 0.00 -1.26 -4.85 105.19 106.02 2jri n GLY 73 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 0.28 -0.92 -3.65 1.61 3.72 -1.26 -1.33 117.46 115.90 2jri n PHE 74 Ca 0.11 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.43 2jri n PHE 74 Cb 0.54 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N 0.69 -0.98 1.02 1.38 0.08 -1.26 -4.77 117.98 114.15 2jri s PHE 75 Ca 0.00 1.96 -0.17 0.00 0.12 0.00 0.00 56.93 58.83 2jri s PHE 75 Cb 0.00 0.56 0.24 0.00 -0.57 0.00 0.00 43.02 43.25 2jri s PHE 75 CO 0.00 -0.50 1.24 0.43 -0.10 0.00 0.00 175.22 176.29 2jri n SER 76 N 4.37 -0.49 0.00 1.36 7.64 -1.25 -4.91 113.62 120.34 2jri n SER 76 Ca -0.20 -1.38 0.05 0.00 1.01 0.00 0.00 58.87 58.35 2jri n SER 76 Cb 0.58 -0.99 0.26 0.00 -1.01 0.00 0.00 64.21 63.04 2jri n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jri n ILE 77 N -4.07 1.02 -0.26 0.44 3.06 -1.26 -2.86 119.36 115.43 2jri n ILE 77 Ca 0.16 0.26 0.05 0.00 -2.50 0.00 0.00 62.75 60.71 2jri n ILE 77 Cb 0.57 -1.07 0.28 0.00 0.54 0.00 0.00 39.64 39.96 2jri n ILE 77 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2jri h GLN 78 N 0.00 0.91 -1.92 9.51 7.50 -1.90 -2.46 115.11 126.75 2jri h GLN 78 Ca 0.00 -0.05 -0.25 0.00 0.50 0.00 0.00 58.65 58.84 2jri h GLN 78 Cb 0.15 -0.21 -0.09 0.00 0.05 0.00 0.00 27.48 27.38 2jri h GLN 78 CO 0.00 0.60 0.02 1.33 -1.50 0.00 0.00 178.83 179.28 2jri n VAL 79 N -4.48 2.85 0.06 -0.54 0.24 -1.14 -2.74 118.33 112.58 2jri n VAL 79 Ca 0.13 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.71 2jri n VAL 79 Cb 0.20 -1.69 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 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 1.53 0.00 -0.07 1.34 2.08 -0.93 -4.70 119.36 118.61 2jri n ILE 80 Ca 0.34 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.52 2jri n ILE 80 Cb 0.68 -0.14 -0.06 0.00 -0.75 0.00 0.00 39.64 39.38 2jri n ILE 80 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2jri h SER 81 N 0.00 0.55 1.09 4.38 4.64 -1.66 -2.87 113.55 119.67 2jri h SER 81 Ca 0.00 -0.47 -0.12 0.00 -0.47 0.00 0.00 61.79 60.73 2jri h SER 81 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 2jri h SER 81 CO 0.00 0.91 -0.56 -1.13 -0.87 0.00 0.00 176.83 175.18 2jri h ASN 82 N 0.20 0.00 -0.25 4.97 -1.24 -1.79 -2.78 115.58 114.70 2jri h ASN 82 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2jri h ASN 82 Cb 0.75 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 2jri h ASN 82 CO 0.05 0.56 0.10 0.00 -1.29 0.00 0.00 177.43 176.85 2jri h ALA 83 N 1.44 0.32 0.00 1.57 0.00 -1.63 -2.18 119.26 118.78 2jri h ALA 83 Ca -0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 2jri h ALA 83 Cb 1.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jri h ALA 83 CO 0.07 -0.08 -0.62 -0.07 0.00 0.00 0.00 179.25 178.56 2jri h LEU 84 N 0.25 0.00 -0.25 0.00 -0.00 -1.56 -3.29 115.31 110.46 2jri h LEU 84 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 2jri h LEU 84 Cb 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.84 2jri h LEU 84 CO -0.01 0.62 0.10 0.50 -0.00 0.00 0.00 178.44 179.65 2jri h LYS 85 N 0.00 0.37 0.00 1.13 3.64 -1.21 0.85 116.57 121.34 2jri h LYS 85 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2jri h LYS 85 Cb 1.28 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2jri h LYS 85 CO 0.08 0.41 0.00 1.33 -2.27 0.00 0.00 179.45 179.00 2jri n VAL 86 N -4.79 1.06 0.91 2.00 0.24 -0.84 -1.22 118.33 115.69 2jri n VAL 86 Ca -0.03 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.64 2jri n VAL 86 Cb 0.13 -1.05 0.06 0.00 -1.47 0.00 0.00 33.84 31.50 2jri n VAL 86 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 2jri n TRP 87 N -1.46 0.00 -0.47 6.34 -0.00 -0.91 -4.95 117.44 115.99 2jri n TRP 87 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.54 2jri n TRP 87 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.45 2jri n TRP 87 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2jri n GLY 88 N 1.27 0.75 4.00 5.87 0.00 -0.36 -5.07 105.19 111.65 2jri n GLY 88 Ca 0.11 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 3.80 -0.03 0.99 2.01 0.25 -4.90 118.68 120.79 2jri s LEU 89 Ca 0.00 -0.27 0.05 0.00 0.01 0.00 0.00 54.13 53.92 2jri s LEU 89 Cb 0.00 -2.73 -0.01 0.00 0.01 0.00 0.00 46.19 43.46 2jri s LEU 89 CO 0.00 -0.61 -0.18 -0.70 1.01 0.00 0.00 176.35 175.88 2jri s GLU 90 N -4.28 1.67 -0.18 1.70 2.12 -0.74 -3.87 118.70 115.12 2jri s GLU 90 Ca 0.50 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 55.16 2jri s GLU 90 Cb -0.10 -1.51 -0.03 0.00 0.26 0.00 0.00 34.13 32.76 2jri s GLU 90 CO 0.32 0.30 -0.01 -1.17 -0.54 0.00 0.00 175.26 174.16 2jri s LEU 91 N -0.14 3.29 -0.08 2.70 2.96 -1.26 0.33 118.68 126.48 2jri s LEU 91 Ca 0.00 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2jri s LEU 91 Cb -0.10 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.78 2jri s LEU 91 CO 0.01 0.11 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.34 2jri s ILE 92 N 0.73 1.59 -0.94 6.68 -1.09 0.08 -4.96 121.20 123.29 2jri s ILE 92 Ca -0.00 -0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 2jri s ILE 92 Cb -0.14 -1.40 0.08 0.00 -1.58 0.00 0.00 42.46 39.42 2jri s ILE 92 CO 0.02 0.46 1.27 -0.22 -1.23 0.00 0.00 174.94 175.24 2jri s LEU 93 N 0.44 4.19 0.40 2.97 2.96 -1.26 -0.10 118.68 128.28 2jri s LEU 93 Ca -0.15 -1.61 0.29 0.00 -0.22 0.00 0.00 54.13 52.43 2jri s LEU 93 Cb -0.16 -2.49 1.24 0.00 0.50 0.00 0.00 46.19 45.28 2jri s LEU 93 CO 0.06 -1.34 1.85 0.15 -1.32 0.00 0.00 176.35 175.76 2jri h PHE 94 N 9.39 0.00 0.00 5.38 3.57 -0.79 -2.69 116.94 131.80 2jri h PHE 94 Ca 0.12 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 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 -0.31 -0.97 -2.23 0.00 0.00 178.31 176.00 2jri h ASN 95 N 0.00 0.00 -3.45 0.41 -1.24 -1.86 -3.26 115.58 106.19 2jri h ASN 95 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2jri h ASN 95 Cb 0.36 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.38 2jri h ASN 95 CO 0.00 0.31 0.24 -0.44 -1.29 0.00 0.00 177.43 176.25 2jri s SER 96 N -6.51 7.27 0.51 1.15 0.01 -1.01 -4.89 113.70 110.23 2jri s SER 96 Ca -0.01 1.53 0.31 0.00 1.31 0.00 0.00 55.95 59.09 2jri s SER 96 Cb 0.13 -2.51 1.43 0.00 0.21 0.00 0.00 66.02 65.28 2jri s SER 96 CO 0.67 -0.08 1.82 -0.65 0.41 0.00 0.00 173.24 175.41 2jri h PRO 97 N 6.05 0.09 -0.15 12.44 0.11 -1.88 0.29 132.00 148.95 2jri h PRO 97 Ca -0.43 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 2jri h PRO 97 Cb 1.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jri h PRO 97 CO 0.73 0.06 -0.17 1.05 -0.21 0.00 0.00 178.00 179.46 2jri h GLU 98 N 0.09 0.25 0.00 1.05 9.09 -1.92 -2.96 114.58 120.18 2jri h GLU 98 Ca 0.54 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.89 2jri h GLU 98 Cb 1.97 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 29.04 2jri h GLU 98 CO -0.07 0.42 -1.13 0.66 0.05 0.00 0.00 179.01 178.93 2jri n TYR 99 N -4.24 0.00 0.33 2.06 4.01 0.17 -4.31 117.16 115.18 2jri n TYR 99 Ca -0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 2jri n TYR 99 Cb 0.30 -0.15 0.61 0.00 -0.31 0.00 0.00 39.34 39.79 2jri n TYR 99 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2jri h GLN 100 N 0.00 0.00 -1.37 -0.72 4.15 -0.38 -3.10 115.11 113.69 2jri h GLN 100 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.81 2jri h GLN 100 Cb 0.51 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 27.96 2jri h GLN 100 CO 0.00 0.00 0.78 2.89 -1.93 0.00 0.00 178.83 180.57 2jri n ARG 101 N -2.75 2.50 0.16 1.69 1.85 -1.18 -4.50 116.66 114.43 2jri n ARG 101 Ca 0.01 -2.91 0.05 0.00 -1.00 0.00 0.00 57.85 54.00 2jri n ARG 101 Cb 0.28 -2.14 0.12 0.00 -1.05 0.00 0.00 32.46 29.66 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 2.44 0.00 -2.44 2.89 8.10 -1.85 -3.48 115.31 120.97 2jri h LEU 102 Ca 0.52 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 58.15 2jri h LEU 102 Cb 0.68 0.00 0.12 0.00 -0.44 0.00 0.00 40.66 41.02 2jri h LEU 102 CO 1.34 0.39 -0.87 0.54 -4.11 0.00 0.00 178.44 175.73 2jri n ARG 103 N -3.24 -3.00 0.00 0.17 3.00 -1.26 -4.99 116.66 107.34 2jri n ARG 103 Ca 0.02 0.67 0.00 0.00 -0.01 0.00 0.00 57.85 58.53 2jri n ARG 103 Cb 0.66 -5.12 0.00 0.00 0.00 0.00 0.00 32.46 28.00 2jri n ARG 103 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jri n ILE 104 N -3.89 0.00 -3.44 0.55 5.41 -1.26 -5.16 119.36 111.56 2jri n ILE 104 Ca -0.16 0.00 0.02 0.00 1.00 0.00 0.00 62.75 63.61 2jri n ILE 104 Cb 0.63 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.51 2jri n ILE 104 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2jri s ASP 105 N 1.00 -0.30 0.45 4.38 -1.08 -1.26 -5.04 116.67 114.81 2jri s ASP 105 Ca 0.00 0.44 0.25 0.00 -0.52 0.00 0.00 52.55 52.72 2jri s ASP 105 Cb 0.00 1.26 0.75 0.00 -1.46 0.00 0.00 42.92 43.47 2jri s ASP 105 CO 0.00 -0.06 1.75 1.55 0.52 0.00 0.00 175.17 178.93 2jri h PRO 106 N 6.55 0.00 0.08 4.34 0.13 -1.99 -3.20 132.00 137.91 2jri h PRO 106 Ca -0.20 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.67 2jri h PRO 106 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jri h PRO 106 CO 0.13 0.14 -1.27 0.82 -0.23 0.00 0.00 178.00 177.60 2jri h ILE 107 N 0.00 1.44 -0.18 -3.56 2.04 -1.95 -3.19 117.51 112.11 2jri h ILE 107 Ca -0.00 -3.09 0.00 0.00 1.00 0.00 0.00 64.86 62.77 2jri h ILE 107 Cb 0.85 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 2jri h ILE 107 CO 0.02 0.87 0.00 -3.20 0.00 0.00 0.00 178.15 175.84 2jri n ASN 108 N -3.42 1.30 -3.50 1.72 5.15 -1.21 -4.87 115.26 110.43 2jri n ASN 108 Ca -0.08 -2.06 -0.19 0.00 -0.60 0.00 0.00 54.58 51.65 2jri n ASN 108 Cb 1.00 -0.23 0.12 0.00 -0.53 0.00 0.00 39.78 40.15 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 0.08 -0.58 -0.02 1.20 -0.58 -1.21 -5.02 120.64 114.52 2jri n GLU 109 Ca 0.06 -1.61 -0.02 0.00 -0.42 0.00 0.00 57.16 55.17 2jri n GLU 109 Cb 0.24 -0.80 -0.01 0.00 -0.57 0.00 0.00 31.44 30.29 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 -2.76 0.08 -3.70 3.49 0.00 -1.26 -4.93 116.66 107.58 2jri n ARG 110 Ca 0.12 0.02 -0.09 0.00 -0.00 0.00 0.00 57.85 57.89 2jri n ARG 110 Cb 0.41 -1.02 -0.02 0.00 -0.00 0.00 0.00 32.46 31.83 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 -4.39 -0.36 -0.18 2.89 0.01 -1.26 -2.85 113.70 107.56 2jri s SER 111 Ca -0.04 -0.40 -0.35 0.00 1.31 0.00 0.00 55.95 56.47 2jri s SER 111 Cb 0.01 0.66 0.14 0.00 0.21 0.00 0.00 66.02 67.04 2jri s SER 111 CO 0.07 -1.16 1.31 0.72 0.41 0.00 0.00 173.24 174.59 2jri s PHE 112 N -3.86 -0.06 -0.12 2.43 -0.71 -1.20 -1.86 117.98 112.60 2jri s PHE 112 Ca 0.08 0.02 -0.05 0.00 -1.04 0.00 0.00 56.93 55.94 2jri s PHE 112 Cb -0.03 0.51 0.06 0.00 -1.21 0.00 0.00 43.02 42.35 2jri s PHE 112 CO -0.01 -0.13 0.26 0.96 -1.34 0.00 0.00 175.22 174.96 2jri s ILE 113 N -2.23 -0.31 0.48 -4.49 -4.36 0.97 -2.93 121.20 108.33 2jri s ILE 113 Ca 0.12 0.24 0.06 0.00 -0.26 0.00 0.00 60.65 60.81 2jri s ILE 113 Cb 0.01 -0.43 -0.00 0.00 1.25 0.00 0.00 42.46 43.29 2jri s ILE 113 CO -0.04 0.10 0.32 0.00 0.24 0.00 0.00 174.94 175.56 2jri s ASN 115 N -4.13 -0.58 -0.61 0.00 2.20 -1.20 0.30 114.94 110.92 2jri s ASN 115 Ca 0.38 0.55 0.06 0.00 -0.94 0.00 0.00 52.86 52.92 2jri s ASN 115 Cb -0.01 0.51 0.24 0.00 -2.00 0.00 0.00 41.25 40.00 2jri s ASN 115 CO 0.23 -0.62 0.69 0.00 -2.94 0.00 0.00 177.10 174.46 2jri n TYR 116 N 0.83 3.07 0.00 1.54 9.36 0.10 -2.03 117.16 130.03 2jri n TYR 116 Ca -0.19 -4.09 0.00 0.00 3.32 0.00 0.00 57.90 56.94 2jri n TYR 116 Cb 0.58 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 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 1.03 0.00 0.07 2.98 3.00 -1.26 -3.79 118.16 120.18 2jri n LYS 117 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 2jri n LYS 117 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 0.00 -2.45 1.64 2.13 -1.26 -5.08 120.64 115.62 2jri n GLU 118 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2jri n GLU 118 Cb 0.00 -0.28 -0.03 0.00 0.27 0.00 0.00 31.44 31.40 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jri s HIS 119 N -2.00 3.07 0.45 4.31 3.76 -1.25 -5.06 115.29 118.57 2jri s HIS 119 Ca 0.00 1.59 0.06 0.00 -0.15 0.00 0.00 55.06 56.56 2jri s HIS 119 Cb 0.00 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 2jri s HIS 119 CO 0.00 -0.95 0.11 -1.58 -0.85 0.00 0.00 174.74 171.46 2jri s TRP 120 N -1.72 2.30 -0.34 1.40 0.52 -1.26 0.02 118.94 119.87 2jri s TRP 120 Ca 0.62 -0.73 0.00 0.00 0.02 0.00 0.00 56.10 56.02 2jri s TRP 120 Cb -0.22 -1.82 0.11 0.00 -1.15 0.00 0.00 33.47 30.39 2jri s TRP 120 CO 0.27 0.21 0.13 -0.06 0.02 0.00 0.00 176.95 177.52 2jri s PHE 121 N -2.72 1.84 -0.91 -1.98 0.08 0.15 -4.86 117.98 109.58 2jri s PHE 121 Ca 0.30 -1.94 -0.20 0.00 0.12 0.00 0.00 56.93 55.20 2jri s PHE 121 Cb 0.05 -1.79 0.10 0.00 -0.57 0.00 0.00 43.02 40.81 2jri s PHE 121 CO 0.16 -0.86 1.18 0.99 -0.10 0.00 0.00 175.22 176.59 2jri s THR 122 N 1.30 4.47 -0.36 0.64 2.01 -1.23 -2.27 115.64 120.21 2jri s THR 122 Ca 0.12 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 2jri s THR 122 Cb -0.19 -4.83 0.02 0.00 0.01 0.00 0.00 72.50 67.50 2jri s THR 122 CO -0.18 -1.61 0.20 -0.69 -0.69 0.00 0.00 174.62 171.65 2jri s VAL 123 N 3.46 4.64 -0.07 3.82 1.01 -1.15 -0.41 120.40 131.70 2jri s VAL 123 Ca 0.34 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.63 2jri s VAL 123 Cb -0.05 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2jri s VAL 123 CO -0.06 -0.14 -0.07 -0.60 0.00 0.00 0.00 175.10 174.23 2jri s ARG 124 N 1.58 2.80 -0.00 2.72 6.06 -1.26 -3.21 118.95 127.63 2jri s ARG 124 Ca 0.03 -0.54 -0.30 0.00 -2.50 0.00 0.00 55.73 52.42 2jri s ARG 124 Cb -0.18 -2.61 -0.03 0.00 0.06 0.00 0.00 34.95 32.18 2jri s ARG 124 CO 0.07 0.65 1.01 0.21 -2.50 0.00 0.00 175.30 174.74 2jri s LYS 125 N -0.76 4.53 -0.42 5.12 2.36 -1.13 -2.37 119.74 127.06 2jri s LYS 125 Ca 0.12 1.46 0.04 0.00 -2.55 0.00 0.00 55.97 55.04 2jri s LYS 125 Cb -0.11 -3.46 0.11 0.00 -1.05 0.00 0.00 37.83 33.33 2jri s LYS 125 CO 0.02 -0.11 0.15 -0.51 1.55 0.00 0.00 175.35 176.45 2jri s LEU 126 N 1.14 4.47 0.00 5.43 1.02 0.18 -4.76 118.68 126.16 2jri s LEU 126 Ca 0.52 -2.55 0.00 0.00 0.02 0.00 0.00 54.13 52.12 2jri s LEU 126 Cb -0.22 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.38 2jri s LEU 126 CO 0.27 -0.31 0.00 0.61 0.02 0.00 0.00 176.35 176.94 2jri n GLY 127 N 3.72 2.46 0.00 -3.19 0.00 -1.26 -2.79 105.19 104.14 2jri n GLY 127 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.46 0.00 -2.05 1.61 0.00 -1.26 -4.91 118.16 111.08 2jri n LYS 128 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 57.99 2jri n LYS 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2jri n LYS 128 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2jri s GLN 129 N 0.00 3.54 -0.07 1.64 1.11 -1.12 -4.96 119.66 119.81 2jri s GLN 129 Ca 0.00 0.97 0.01 0.00 0.01 0.00 0.00 55.36 56.35 2jri s GLN 129 Cb 0.00 -2.07 -0.03 0.00 -1.01 0.00 0.00 33.01 29.90 2jri s GLN 129 CO 0.00 -0.61 -0.07 -1.58 0.01 0.00 0.00 175.29 173.03 2jri s TRP 130 N -2.78 2.92 -0.52 0.91 0.52 -1.22 0.48 118.94 119.24 2jri s TRP 130 Ca 0.59 0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.75 2jri s TRP 130 Cb -0.12 -1.71 0.16 0.00 -1.15 0.00 0.00 33.47 30.65 2jri s TRP 130 CO 0.42 0.31 0.38 -0.06 0.02 0.00 0.00 176.95 178.02 2jri s PHE 131 N -0.78 2.13 0.12 -1.98 0.08 -1.00 -1.31 117.98 115.24 2jri s PHE 131 Ca 0.12 -2.70 -0.35 0.00 0.12 0.00 0.00 56.93 54.12 2jri s PHE 131 Cb -0.11 -1.72 -0.16 0.00 -0.57 0.00 0.00 43.02 40.46 2jri s PHE 131 CO 0.01 -0.72 1.30 -1.71 -0.10 0.00 0.00 175.22 174.01 2jri n ASN 132 N 2.64 1.67 -3.94 1.36 5.15 -1.25 -4.17 115.26 116.72 2jri n ASN 132 Ca 0.23 1.12 -0.25 0.00 -0.60 0.00 0.00 54.58 55.08 2jri n ASN 132 Cb 0.41 -1.22 -0.17 0.00 -0.53 0.00 0.00 39.78 38.27 2jri n ASN 132 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jri s LEU 133 N 0.55 1.33 0.04 1.20 1.43 0.45 -3.40 118.68 120.28 2jri s LEU 133 Ca 0.80 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 2jri s LEU 133 Cb -0.90 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 44.58 2jri s LEU 133 CO 0.48 -0.07 0.50 0.21 0.23 0.00 0.00 176.35 177.70 2jri s ASN 134 N 1.30 -0.41 -1.08 2.29 2.47 -1.26 -3.50 114.94 114.76 2jri s ASN 134 Ca -0.03 0.17 -0.19 0.00 0.42 0.00 0.00 52.86 53.23 2jri s ASN 134 Cb -0.14 0.47 -0.07 0.00 -1.45 0.00 0.00 41.25 40.07 2jri s ASN 134 CO -0.03 -0.69 2.02 -1.20 -3.72 0.00 0.00 177.10 173.47 2jri n SER 135 N 0.49 3.19 0.00 -4.21 7.64 -1.26 -2.79 113.62 116.68 2jri n SER 135 Ca -0.18 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 56.94 2jri n SER 135 Cb 0.60 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 7.71 0.00 -4.78 -3.43 7.94 -1.26 -5.12 117.00 118.07 2jri n LEU 136 Ca 0.50 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 55.02 2jri n LEU 136 Cb 0.41 0.41 -0.05 0.00 0.53 0.00 0.00 43.42 44.72 2jri n LEU 136 CO 0.94 -0.41 0.71 -1.48 -1.11 0.00 0.00 177.39 176.04 2jri s LEU 137 N -4.73 4.31 -0.58 -1.96 0.05 -1.12 -4.97 118.68 109.68 2jri s LEU 137 Ca 0.00 1.99 0.02 0.00 0.05 0.00 0.00 54.13 56.19 2jri s LEU 137 Cb 0.00 -4.00 0.40 0.00 -2.05 0.00 0.00 46.19 40.55 2jri s LEU 137 CO 0.00 -0.23 1.51 1.07 -0.55 0.00 0.00 176.35 178.15 2jri n THR 138 N 0.46 2.92 0.00 5.48 5.66 -1.26 -4.83 114.28 122.71 2jri n THR 138 Ca 0.02 -4.45 0.00 0.00 -3.05 0.00 0.00 64.05 56.58 2jri n THR 138 Cb 0.49 -1.23 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 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 -0.57 3.33 3.69 1.09 0.00 -1.26 -5.12 105.19 106.35 2jri n GLY 139 Ca 0.47 -0.04 -0.61 0.00 0.00 0.00 0.00 46.02 45.83 2jri n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jri n PRO 140 N 0.00 0.60 -2.43 1.61 -0.02 -1.26 -4.82 135.00 128.68 2jri n PRO 140 Ca 0.00 0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 61.32 2jri n PRO 140 Cb 0.00 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 2jri n PRO 140 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jri s GLU 141 N 2.66 3.53 -0.79 -0.52 2.02 -1.22 -4.91 118.70 119.47 2jri s GLU 141 Ca 0.99 -1.73 -0.26 0.00 0.02 0.00 0.00 54.97 53.99 2jri s GLU 141 Cb -1.24 -5.45 -0.17 0.00 0.10 0.00 0.00 34.13 27.37 2jri s GLU 141 CO 0.69 -2.78 2.50 -0.11 0.02 0.00 0.00 175.26 175.59 2jri n LEU 142 N 10.21 0.98 -4.67 1.80 7.94 -1.26 -3.94 117.00 128.07 2jri n LEU 142 Ca 0.47 -0.34 -0.39 0.00 -1.11 0.00 0.00 56.01 54.65 2jri n LEU 142 Cb 0.46 -1.20 -0.07 0.00 0.53 0.00 0.00 43.42 43.15 2jri n LEU 142 CO 0.74 -1.33 0.19 -0.63 -1.11 0.00 0.00 177.39 175.26 2jri s ILE 143 N 9.77 5.14 0.76 1.96 1.01 -0.43 -5.01 121.20 134.39 2jri s ILE 143 Ca 1.17 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 62.59 2jri s ILE 143 Cb -0.69 -3.81 0.05 0.00 0.01 0.00 0.00 42.46 38.01 2jri s ILE 143 CO 0.37 0.21 1.12 -0.44 0.00 0.00 0.00 174.94 176.20 2jri s SER 144 N 1.09 4.94 0.02 3.58 0.01 -1.26 -3.45 113.70 118.64 2jri s SER 144 Ca 0.23 1.07 -0.09 0.00 1.31 0.00 0.00 55.95 58.47 2jri s SER 144 Cb -0.15 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2jri s SER 144 CO 0.09 -1.66 1.14 0.44 0.41 0.00 0.00 173.24 173.67 2jri h ASP 145 N -0.88 -0.35 -0.48 2.44 5.19 -1.98 0.15 116.42 120.52 2jri h ASP 145 Ca -0.46 0.03 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 2jri h ASP 145 Cb 1.28 0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.88 2jri h ASP 145 CO 0.63 -0.17 0.32 0.74 -3.12 0.00 0.00 179.24 177.64 2jri h THR 146 N -0.26 1.10 -0.18 0.35 2.02 -2.01 -1.43 112.91 112.50 2jri h THR 146 Ca -0.02 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 2jri h THR 146 Cb 0.23 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2jri h THR 146 CO -0.01 0.11 -0.24 0.22 0.37 0.00 0.00 175.52 175.97 2jri h TYR 147 N 0.62 0.35 -0.74 3.16 3.20 -1.90 -2.75 116.97 118.90 2jri h TYR 147 Ca 0.18 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2jri h TYR 147 Cb -0.03 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 2jri h TYR 147 CO -0.00 0.55 0.24 1.25 -1.64 0.00 0.00 178.16 178.55 2jri h LEU 148 N 0.29 1.08 -0.98 2.82 5.85 0.43 0.28 115.31 125.07 2jri h LEU 148 Ca 0.05 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2jri h LEU 148 Cb 0.59 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2jri h LEU 148 CO 0.04 0.99 0.57 0.00 -0.34 0.00 0.00 178.44 179.70 2jri h ALA 149 N 1.15 1.24 -0.14 1.25 0.00 -1.39 0.31 119.26 121.67 2jri h ALA 149 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2jri h ALA 149 Cb 0.30 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jri h ALA 149 CO -0.01 0.66 -0.25 1.25 0.00 0.00 0.00 179.25 180.90 2jri h LEU 150 N 1.29 0.47 -0.50 0.00 5.85 -1.27 -2.79 115.31 118.35 2jri h LEU 150 Ca 0.34 -0.54 0.04 0.00 0.84 0.00 0.00 57.88 58.55 2jri h LEU 150 Cb -0.06 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 2jri h LEU 150 CO -0.06 0.92 0.27 0.15 -0.34 0.00 0.00 178.44 179.37 2jri h PHE 151 N 0.03 0.49 -0.53 1.25 3.57 -0.02 0.11 116.94 121.83 2jri h PHE 151 Ca 0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2jri h PHE 151 Cb 0.83 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 2jri h PHE 151 CO 0.10 0.25 0.35 -0.07 -2.23 0.00 0.00 178.31 176.71 2jri h LEU 152 N 0.52 0.60 -0.20 0.59 -0.00 -0.41 -1.67 115.31 114.74 2jri h LEU 152 Ca 0.21 -0.01 -0.22 0.00 -0.00 0.00 0.00 57.88 57.86 2jri h LEU 152 Cb 0.10 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.61 2jri h LEU 152 CO -0.13 0.43 -0.89 0.00 -0.00 0.00 0.00 178.44 177.85 2jri h ALA 153 N 1.67 0.38 -0.89 1.53 0.00 -1.01 -3.19 119.26 117.75 2jri h ALA 153 Ca 0.20 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jri h ALA 153 Cb -0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jri h ALA 153 CO -0.04 0.77 0.57 1.96 0.00 0.00 0.00 179.25 182.51 2jri h GLN 154 N 0.30 1.18 -0.98 0.00 1.08 0.04 -1.12 115.11 115.60 2jri h GLN 154 Ca -0.07 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2jri h GLN 154 Cb 1.51 -0.26 -0.05 0.00 -0.05 0.00 0.00 27.48 28.63 2jri h GLN 154 CO 0.16 0.79 0.65 -0.07 -0.95 0.00 0.00 178.83 179.41 2jri h LEU 155 N 1.21 1.13 -0.34 1.46 3.38 -1.35 0.32 115.31 121.12 2jri h LEU 155 Ca 0.32 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.09 2jri h LEU 155 Cb -0.11 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.35 2jri h LEU 155 CO -0.07 0.82 -0.48 1.56 0.09 0.00 0.00 178.44 180.36 2jri h GLN 156 N 1.34 0.90 -0.27 1.13 4.20 -1.35 0.26 115.11 121.31 2jri h GLN 156 Ca 0.36 -0.53 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 2jri h GLN 156 Cb -0.15 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2jri h GLN 156 CO -0.08 1.17 -0.35 1.96 -0.67 0.00 0.00 178.83 180.87 2jri h GLN 157 N 0.71 0.72 0.00 1.46 4.20 -0.69 -3.14 115.11 118.37 2jri h GLN 157 Ca 0.03 -0.41 -0.09 0.00 0.06 0.00 0.00 58.65 58.25 2jri h GLN 157 Cb 1.08 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2jri h GLN 157 CO 0.11 1.03 -0.41 1.49 -0.67 0.00 0.00 178.83 180.38 2jri h GLU 158 N 0.46 0.00 -0.15 1.46 4.57 -0.41 -3.48 114.58 117.03 2jri h GLU 158 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2jri h GLU 158 Cb 0.93 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2jri h GLU 158 CO 0.08 0.41 0.00 0.41 -1.18 0.00 0.00 179.01 178.73 2jri n GLY 159 N 0.44 0.76 0.00 1.92 0.00 -0.63 -5.08 105.19 102.60 2jri n GLY 159 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.08 0.00 -3.18 1.61 4.02 0.83 -4.79 117.16 115.57 2jri n TYR 160 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 2jri n TYR 160 Cb 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.29 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 0.30 -0.42 7.72 0.01 -0.86 -4.90 113.70 114.55 2jri s SER 161 Ca 0.00 -2.12 -0.28 0.00 1.31 0.00 0.00 55.95 54.86 2jri s SER 161 Cb 0.00 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2jri s SER 161 CO 0.00 -0.16 1.53 -0.63 0.41 0.00 0.00 173.24 174.39 2jri s ILE 162 N 0.79 3.75 -0.46 1.44 1.01 -1.26 -3.23 121.20 123.24 2jri s ILE 162 Ca 0.27 0.74 -0.10 0.00 0.00 0.00 0.00 60.65 61.56 2jri s ILE 162 Cb -0.03 -4.08 0.10 0.00 0.01 0.00 0.00 42.46 38.46 2jri s ILE 162 CO -0.09 -0.73 0.33 -0.36 0.00 0.00 0.00 174.94 174.08 2jri s PHE 163 N 6.05 3.37 0.18 3.97 0.08 0.65 -0.10 117.98 132.18 2jri s PHE 163 Ca 0.65 -1.65 -0.24 0.00 0.12 0.00 0.00 56.93 55.81 2jri s PHE 163 Cb -0.15 -3.29 -0.08 0.00 -0.57 0.00 0.00 43.02 38.92 2jri s PHE 163 CO 0.32 -0.93 0.77 0.54 -0.10 0.00 0.00 175.22 175.82 2jri s VAL 164 N 1.42 4.41 -0.29 -0.44 0.11 0.85 -0.02 120.40 126.44 2jri s VAL 164 Ca 0.04 1.62 -0.11 0.00 -2.93 0.00 0.00 61.98 60.61 2jri s VAL 164 Cb -0.25 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2jri s VAL 164 CO 0.01 0.44 0.17 -0.69 -3.33 0.00 0.00 175.10 171.71 2jri s VAL 165 N -1.25 5.07 0.05 2.04 1.01 -0.78 -0.74 120.40 125.81 2jri s VAL 165 Ca 0.38 -0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.32 2jri s VAL 165 Cb -0.22 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2jri s VAL 165 CO 0.25 0.21 0.26 -0.54 0.00 0.00 0.00 175.10 175.28 2jri s LYS 166 N 1.72 3.52 0.00 2.72 -0.14 0.15 -4.27 119.74 123.44 2jri s LYS 166 Ca 0.07 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.44 2jri s LYS 166 Cb -0.16 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.97 2jri s LYS 166 CO 0.09 0.60 0.00 0.41 -0.76 0.00 0.00 175.35 175.69 2jri n GLY 167 N 0.58 -0.37 3.39 -3.33 0.00 -1.26 -1.79 105.19 102.41 2jri n GLY 167 Ca -0.07 -2.23 -0.41 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 -4.00 5.83 0.22 1.61 1.01 -1.26 -4.96 116.67 115.12 2jri s ASP 168 Ca 0.00 -1.02 -0.09 0.00 0.71 0.00 0.00 52.55 52.15 2jri s ASP 168 Cb 0.00 -2.06 -0.07 0.00 1.01 0.00 0.00 42.92 41.80 2jri s ASP 168 CO 0.00 -0.42 0.52 -0.76 0.21 0.00 0.00 175.17 174.72 2jri s LEU 169 N 1.58 4.18 0.86 1.23 1.02 -1.26 -5.00 118.68 121.28 2jri s LEU 169 Ca 0.03 0.86 -0.10 0.00 0.02 0.00 0.00 54.13 54.93 2jri s LEU 169 Cb -0.20 -3.62 0.11 0.00 0.02 0.00 0.00 46.19 42.51 2jri s LEU 169 CO 0.07 -0.06 1.13 -2.16 0.02 0.00 0.00 176.35 175.35 2jri s PRO 170 N -2.82 1.51 0.39 1.29 0.04 -1.26 -5.06 135.00 129.09 2jri s PRO 170 Ca 0.46 1.41 0.05 0.00 0.04 0.00 0.00 61.00 62.96 2jri s PRO 170 Cb -0.11 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2jri s PRO 170 CO 0.22 -2.25 0.17 0.16 0.04 0.00 0.00 177.00 175.34 2jri s ASP 171 N -2.92 2.51 0.00 6.66 -4.77 -1.26 -4.87 116.67 112.02 2jri s ASP 171 Ca 0.65 -1.70 0.00 0.00 -3.30 0.00 0.00 52.55 48.20 2jri s ASP 171 Cb -0.21 0.54 0.00 0.00 -1.09 0.00 0.00 42.92 42.16 2jri s ASP 171 CO 0.57 -0.97 0.00 0.00 0.70 0.00 0.00 175.17 175.47 2jri h GLU 173 N 0.00 0.39 -0.99 0.00 4.57 -1.93 -1.01 114.58 115.61 2jri h GLU 173 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2jri h GLU 173 Cb 0.00 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.44 2jri h GLU 173 CO 0.00 0.26 0.64 0.00 -1.18 0.00 0.00 179.01 178.73 2jri h ALA 174 N 1.64 1.37 -0.89 2.92 0.00 -1.95 -0.54 119.26 121.81 2jri h ALA 174 Ca 0.39 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.79 2jri h ALA 174 Cb 0.95 -0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.16 2jri h ALA 174 CO -0.13 0.44 0.62 -3.47 0.00 0.00 0.00 179.25 176.71 2jri n ASP 175 N -4.51 4.30 0.00 0.00 2.03 -0.39 -3.59 116.55 114.40 2jri n ASP 175 Ca 0.15 -3.47 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2jri n ASP 175 Cb 0.17 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 2jri n ASP 175 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jri n GLN 176 N -0.92 0.00 0.06 -0.67 6.02 -0.43 -4.39 117.38 117.05 2jri n GLN 176 Ca 0.54 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.65 2jri n GLN 176 Cb 1.40 -0.39 0.20 0.00 1.02 0.00 0.00 30.24 32.47 2jri n GLN 176 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2jri n LEU 177 N -2.19 0.70 -1.90 1.08 -0.00 -0.34 -4.25 117.00 110.11 2jri n LEU 177 Ca 0.00 0.26 -0.10 0.00 -0.00 0.00 0.00 56.01 56.17 2jri n LEU 177 Cb 0.13 -0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 43.24 2jri n LEU 177 CO 0.00 -0.06 1.45 -0.11 -0.00 0.00 0.00 177.39 178.67 2jri n LEU 178 N -2.10 5.37 -0.00 1.47 -0.00 -1.24 -3.85 117.00 116.64 2jri n LEU 178 Ca 0.04 -3.03 0.08 0.00 -0.00 0.00 0.00 56.01 53.09 2jri n LEU 178 Cb 0.43 -1.33 -0.11 0.00 -0.00 0.00 0.00 43.42 42.42 2jri n LEU 178 CO 0.36 1.51 -0.48 0.00 -0.00 0.00 0.00 177.39 178.78 2jri n GLN 179 N 2.10 0.97 -2.90 1.96 1.13 -1.26 -4.02 117.38 115.35 2jri n GLN 179 Ca 0.32 -0.10 -0.12 0.00 -1.94 0.00 0.00 57.00 55.16 2jri n GLN 179 Cb 0.78 -1.32 0.03 0.00 0.11 0.00 0.00 30.24 29.85 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 -1.82 1.05 -0.48 -1.09 0.00 -1.25 -4.90 117.12 108.63 2jri n MET 180 Ca -0.01 -2.82 0.05 0.00 0.00 0.00 0.00 57.70 54.92 2jri n MET 180 Cb 0.35 -1.23 0.20 0.00 0.00 0.00 0.00 33.22 32.54 2jri n MET 180 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 2jri n ILE 181 N 0.11 2.25 -1.19 3.17 2.08 -1.26 -5.15 119.36 119.36 2jri n ILE 181 Ca 0.13 -2.48 0.00 0.00 0.56 0.00 0.00 62.75 60.97 2jri n ILE 181 Cb 0.73 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 2jri n ILE 181 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97