#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jri n GLU 2 N 0.00 0.00 -3.48 2.12 4.71 -1.26 -5.00 120.64 117.73 2jri n GLU 2 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 2jri n GLU 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 31.44 30.34 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 0.75 5.94 -0.02 1.62 0.01 -1.26 -5.04 113.70 115.71 2jri s SER 3 Ca 0.00 -1.36 0.01 0.00 1.31 0.00 0.00 55.95 55.91 2jri s SER 3 Cb 0.00 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.13 2jri s SER 3 CO 0.00 -0.59 -0.04 -0.63 0.41 0.00 0.00 173.24 172.39 2jri s ILE 4 N 1.56 0.39 -1.52 1.44 1.01 -1.26 -5.05 121.20 117.78 2jri s ILE 4 Ca 0.04 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.43 2jri s ILE 4 Cb -0.23 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 2jri s ILE 4 CO 0.05 0.14 2.63 0.49 0.00 0.00 0.00 174.94 178.26 2jri n PHE 5 N 3.39 2.78 -1.43 3.97 3.01 -1.26 -4.74 117.46 123.18 2jri n PHE 5 Ca -0.18 -2.98 -0.28 0.00 1.01 0.00 0.00 57.45 55.02 2jri n PHE 5 Cb 0.55 -2.47 -0.07 0.00 -0.01 0.00 0.00 39.48 37.48 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 4.64 1.51 -1.63 1.38 -0.00 -1.26 -4.49 115.22 115.37 2jri n HIS 6 Ca 0.67 -2.22 -0.40 0.00 0.46 0.00 0.00 57.72 56.23 2jri n HIS 6 Cb 0.29 -1.75 -0.03 0.00 -0.12 0.00 0.00 29.99 28.39 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 -0.12 2.69 -0.10 1.57 0.41 -1.26 -4.94 118.70 116.94 2jri s GLU 7 Ca 0.62 1.67 -0.01 0.00 -0.41 0.00 0.00 54.97 56.84 2jri s GLU 7 Cb 0.29 -4.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.16 2jri s GLU 7 CO -0.10 -2.61 -0.08 0.21 -0.49 0.00 0.00 175.26 172.19 2jri s LYS 8 N 7.14 3.13 0.22 1.61 2.47 -1.26 -4.68 119.74 128.37 2jri s LYS 8 Ca 0.97 -0.57 0.02 0.00 -1.56 0.00 0.00 55.97 54.82 2jri s LYS 8 Cb -0.25 -2.68 -0.05 0.00 -1.46 0.00 0.00 37.83 33.39 2jri s LYS 8 CO 0.31 0.45 0.05 1.14 0.16 0.00 0.00 175.35 177.46 2jri s GLN 9 N -0.23 1.28 -0.13 4.03 0.00 -1.26 -5.15 119.66 118.21 2jri s GLN 9 Ca 0.03 -1.66 -0.05 0.00 -0.00 0.00 0.00 55.36 53.68 2jri s GLN 9 Cb -0.13 -0.28 0.06 0.00 0.00 0.00 0.00 33.01 32.66 2jri s GLN 9 CO 0.03 -0.22 0.26 -1.21 0.00 0.00 0.00 175.29 174.15 2jri s GLU 10 N -3.98 0.15 0.00 9.60 2.02 -1.26 -4.98 118.70 120.25 2jri s GLU 10 Ca 0.32 0.73 0.00 0.00 0.02 0.00 0.00 54.97 56.03 2jri s GLU 10 Cb 0.07 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2jri s GLU 10 CO 0.09 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.51 2jri n GLY 11 N 5.24 0.48 6.40 -1.39 0.00 -1.26 -5.08 105.19 109.59 2jri n GLY 11 Ca -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2jri n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jri n SER 12 N 0.00 -3.90 -3.42 1.61 7.64 -1.26 -4.97 113.62 109.32 2jri n SER 12 Ca 0.00 0.10 -0.18 0.00 1.01 0.00 0.00 58.87 59.79 2jri n SER 12 Cb 0.00 -0.27 0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2jri n SER 12 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jri n LEU 13 N 0.00 -4.46 0.01 -3.43 -0.00 -0.92 -4.89 117.00 103.31 2jri n LEU 13 Ca 0.00 -0.74 0.09 0.00 -0.00 0.00 0.00 56.01 55.37 2jri n LEU 13 Cb 0.04 -3.01 0.41 0.00 -0.00 0.00 0.00 43.42 40.86 2jri n LEU 13 CO 0.00 0.27 0.80 0.00 -0.00 0.00 0.00 177.39 178.47 2jri h ALA 15 N 2.64 1.36 0.00 0.00 0.00 -1.97 0.57 119.26 121.85 2jri h ALA 15 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jri h ALA 15 Cb 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jri h ALA 15 CO 0.00 0.42 0.00 0.94 0.00 0.00 0.00 179.25 180.61 2jri n GLN 16 N -4.52 0.89 -0.03 0.00 0.00 -1.22 -2.11 117.38 110.38 2jri n GLN 16 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 57.11 2jri n GLN 16 Cb 0.18 -1.31 -0.05 0.00 0.00 0.00 0.00 30.24 29.06 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 -0.81 0.00 0.07 3.69 -0.00 0.06 -4.17 115.22 114.06 2jri n HIS 17 Ca 0.13 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.08 2jri n HIS 17 Cb 0.06 -0.31 -0.15 0.00 -0.12 0.00 0.00 29.99 29.47 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 0.06 0.00 -1.47 0.00 4.07 -1.68 -3.01 115.31 113.28 2jri h LEU 19 Ca -0.34 -0.29 0.09 0.00 0.08 0.00 0.00 57.88 57.42 2jri h LEU 19 Cb 2.06 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.76 2jri h LEU 19 CO 0.17 0.73 0.46 0.78 -1.08 0.00 0.00 178.44 179.49 2jri h ASN 20 N -1.00 0.54 0.26 -0.43 4.21 -1.72 0.15 115.58 117.59 2jri h ASN 20 Ca -0.02 0.01 -0.25 0.00 1.21 0.00 0.00 56.30 57.24 2jri h ASN 20 Cb 0.41 -0.11 0.01 0.00 -1.12 0.00 0.00 38.32 37.51 2jri h ASN 20 CO -0.01 0.34 -1.04 0.78 -1.29 0.00 0.00 177.43 176.20 2jri h ASN 21 N 0.61 0.66 -0.22 5.81 -0.26 -1.72 0.02 115.58 120.48 2jri h ASN 21 Ca 0.31 -0.56 -0.09 0.00 -0.56 0.00 0.00 56.30 55.40 2jri h ASN 21 Cb 0.42 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2jri h ASN 21 CO -0.10 1.37 -0.23 0.25 -1.06 0.00 0.00 177.43 177.66 2jri h LEU 22 N 0.26 0.59 0.00 1.61 7.12 -1.18 -2.90 115.31 120.81 2jri h LEU 22 Ca -0.11 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.42 2jri h LEU 22 Cb 1.70 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.66 2jri h LEU 22 CO 0.19 0.95 0.00 0.18 -0.13 0.00 0.00 178.44 179.63 2jri n LEU 23 N -4.39 0.00 -3.38 2.25 4.77 0.45 -4.88 117.00 111.83 2jri n LEU 23 Ca -0.05 0.39 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 2jri n LEU 23 Cb 0.43 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2jri n LEU 23 CO 0.42 -0.04 0.10 1.67 -1.33 0.00 0.00 177.39 178.22 2jri n GLN 24 N -1.39 -6.29 0.00 3.23 7.27 -0.90 -4.93 117.38 114.35 2jri n GLN 24 Ca 0.10 0.84 0.00 0.00 0.07 0.00 0.00 57.00 58.00 2jri n GLN 24 Cb 0.26 -5.81 0.00 0.00 2.41 0.00 0.00 30.24 27.11 2jri n GLN 24 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jri n GLY 25 N -1.13 2.56 3.14 1.69 0.00 -0.06 -4.84 105.19 106.55 2jri n GLY 25 Ca -0.27 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2jri n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jri n GLU 26 N -1.20 3.48 -0.96 1.61 -0.00 -1.26 -4.37 120.64 117.95 2jri n GLU 26 Ca 0.00 -3.64 -0.08 0.00 -0.00 0.00 0.00 57.16 53.44 2jri n GLU 26 Cb 0.00 -3.00 0.26 0.00 -0.00 0.00 0.00 31.44 28.69 2jri n GLU 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2jri n TYR 27 N 4.82 2.32 -3.73 -1.84 4.01 -1.26 -4.84 117.16 116.64 2jri n TYR 27 Ca 0.39 -1.20 -0.14 0.00 -0.16 0.00 0.00 57.90 56.79 2jri n TYR 27 Cb 0.39 -0.68 -0.15 0.00 -0.31 0.00 0.00 39.34 38.60 2jri n TYR 27 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2jri s PHE 28 N -2.76 -0.19 0.04 -0.72 5.36 -1.26 -5.12 117.98 113.33 2jri s PHE 28 Ca 0.50 0.54 -0.14 0.00 -0.96 0.00 0.00 56.93 56.87 2jri s PHE 28 Cb 0.40 -0.11 -0.06 0.00 -0.34 0.00 0.00 43.02 42.92 2jri s PHE 28 CO 0.12 -0.20 0.43 -1.12 -1.46 0.00 0.00 175.22 172.99 2jri s SER 29 N 1.42 6.78 0.41 6.13 0.01 -1.26 -4.99 113.70 122.20 2jri s SER 29 Ca -0.07 0.95 0.17 0.00 1.31 0.00 0.00 55.95 58.31 2jri s SER 29 Cb -0.12 -2.24 1.05 0.00 0.21 0.00 0.00 66.02 64.93 2jri s SER 29 CO -0.06 0.27 1.84 -0.65 0.41 0.00 0.00 173.24 175.05 2jri h PRO 30 N 4.36 0.43 0.00 12.44 0.11 -2.01 -0.01 132.00 147.31 2jri h PRO 30 Ca -0.51 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 2jri h PRO 30 Cb 1.21 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jri h PRO 30 CO 0.63 0.28 -0.11 -0.24 -0.21 0.00 0.00 178.00 178.35 2jri h VAL 31 N 0.44 0.66 -0.04 3.15 3.04 -2.01 -2.28 116.25 119.21 2jri h VAL 31 Ca 0.49 -0.48 -0.20 0.00 -1.01 0.00 0.00 66.70 65.50 2jri h VAL 31 Cb 1.18 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 2jri h VAL 31 CO -0.20 0.11 -0.83 -0.33 -1.01 0.00 0.00 177.57 175.31 2jri h GLU 32 N 0.00 0.39 -0.56 4.17 5.08 -1.39 -3.18 114.58 119.08 2jri h GLU 32 Ca -0.00 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2jri h GLU 32 Cb 0.29 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 2jri h GLU 32 CO 0.01 1.03 0.35 -0.07 -1.00 0.00 0.00 179.01 179.33 2jri h LEU 33 N 0.24 0.57 -1.74 1.33 3.38 -1.40 0.28 115.31 117.96 2jri h LEU 33 Ca -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2jri h LEU 33 Cb 1.44 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2jri h LEU 33 CO 0.14 0.40 -0.03 0.28 0.09 0.00 0.00 178.44 179.32 2jri h SER 34 N 0.69 0.00 0.03 -0.43 0.02 -1.58 -2.25 113.55 110.03 2jri h SER 34 Ca 0.22 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.90 2jri h SER 34 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2jri h SER 34 CO -0.09 0.03 -1.53 -1.20 -1.14 0.00 0.00 176.83 172.90 2jri n SER 35 N -3.16 1.93 0.18 3.07 7.64 -0.47 -3.55 113.62 119.27 2jri n SER 35 Ca -0.00 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.28 2jri n SER 35 Cb 0.27 -0.93 0.43 0.00 -1.01 0.00 0.00 64.21 62.97 2jri n SER 35 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 2jri h ILE 36 N -0.76 1.19 0.00 0.44 3.07 -0.51 -0.70 117.51 120.25 2jri h ILE 36 Ca -0.39 -0.88 -0.10 0.00 1.55 0.00 0.00 64.86 65.04 2jri h ILE 36 Cb 1.49 1.42 -0.01 0.00 -0.27 0.00 0.00 36.82 39.45 2jri h ILE 36 CO -0.16 0.26 -0.46 0.00 -1.05 0.00 0.00 178.15 176.74 2jri h ALA 37 N 1.71 0.91 -0.00 0.16 0.00 -1.58 -2.84 119.26 117.62 2jri h ALA 37 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2jri h ALA 37 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jri h ALA 37 CO 0.03 0.57 -0.52 1.58 0.00 0.00 0.00 179.25 180.91 2jri n HIS 38 N -3.51 0.00 0.22 0.00 -0.00 -0.70 -3.70 115.22 107.53 2jri n HIS 38 Ca -0.00 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.24 2jri n HIS 38 Cb 0.58 -0.20 0.50 0.00 -0.12 0.00 0.00 29.99 30.75 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 0.18 0.00 0.00 1.57 5.75 -0.90 -0.96 115.11 120.74 2jri h GLN 39 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2jri h GLN 39 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 2jri h GLN 39 CO 0.00 0.21 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.00 2jri h LEU 40 N 0.00 0.00 -0.40 -2.39 -0.00 -1.68 -1.95 115.31 108.88 2jri h LEU 40 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2jri h LEU 40 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2jri h LEU 40 CO 0.03 0.32 0.16 -0.78 -0.00 0.00 0.00 178.44 178.16 2jri h ASP 41 N 0.00 0.55 -0.61 -0.43 3.58 -0.94 0.48 116.42 119.05 2jri h ASP 41 Ca -0.00 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 2jri h ASP 41 Cb 0.73 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2jri h ASP 41 CO 0.04 0.57 0.16 -0.08 -2.88 0.00 0.00 179.24 177.06 2jri h GLU 42 N 0.50 1.00 -0.10 0.28 4.57 -1.42 -1.20 114.58 118.21 2jri h GLU 42 Ca 0.13 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 2jri h GLU 42 Cb 0.20 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2jri h GLU 42 CO -0.01 0.88 0.03 0.93 -1.18 0.00 0.00 179.01 179.66 2jri h GLU 43 N 0.96 0.16 -0.65 1.92 5.08 -0.78 -2.18 114.58 119.08 2jri h GLU 43 Ca 0.21 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2jri h GLU 43 Cb 0.33 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2jri h GLU 43 CO -0.00 0.33 0.43 0.93 -1.00 0.00 0.00 179.01 179.70 2jri h GLU 44 N -0.04 0.79 -0.23 2.33 4.39 0.18 0.23 114.58 122.22 2jri h GLU 44 Ca 0.03 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 2jri h GLU 44 Cb 0.24 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2jri h GLU 44 CO -0.00 0.52 0.12 -0.09 -1.16 0.00 0.00 179.01 178.40 2jri h ARG 45 N 0.81 0.33 -0.65 2.33 2.43 -0.98 0.33 114.38 118.98 2jri h ARG 45 Ca 0.26 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.31 2jri h ARG 45 Cb 0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2jri h ARG 45 CO -0.07 0.32 0.11 0.52 -1.51 0.00 0.00 179.97 179.35 2jri h MET 46 N 0.26 1.07 -0.41 0.20 2.86 -0.68 -1.38 114.93 116.85 2jri h MET 46 Ca 0.08 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2jri h MET 46 Cb 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2jri h MET 46 CO -0.01 0.98 0.20 -0.09 1.06 0.00 0.00 176.91 179.05 2jri h ARG 47 N 0.99 0.59 -0.71 1.72 1.12 -0.25 -2.10 114.38 115.74 2jri h ARG 47 Ca 0.20 -0.09 -0.03 0.00 -1.11 0.00 0.00 59.98 58.95 2jri h ARG 47 Cb 0.43 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.25 2jri h ARG 47 CO 0.01 0.51 0.31 1.98 -3.11 0.00 0.00 179.97 179.68 2jri h MET 48 N 0.52 1.04 0.00 0.20 4.05 -0.12 -1.17 114.93 119.45 2jri h MET 48 Ca 0.14 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2jri h MET 48 Cb 0.12 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.74 2jri h MET 48 CO -0.02 0.84 0.00 0.00 0.23 0.00 0.00 176.91 177.96 2jri n ALA 49 N -2.39 1.52 0.29 0.39 0.00 -0.54 -1.19 120.51 118.58 2jri n ALA 49 Ca 0.06 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.70 2jri n ALA 49 Cb 0.15 -1.35 0.26 0.00 0.00 0.00 0.00 19.45 18.52 2jri n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jri n GLU 50 N -2.16 2.40 0.08 0.00 4.07 -0.46 -4.60 120.64 119.97 2jri n GLU 50 Ca 0.01 -2.14 0.00 0.00 -0.06 0.00 0.00 57.16 54.97 2jri n GLU 50 Cb 0.18 -1.49 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2jri n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jri n GLY 51 N 1.47 -0.13 3.62 8.31 0.00 -0.33 -5.06 105.19 113.05 2jri n GLY 51 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 -4.28 -0.68 -1.12 -0.02 0.00 -0.40 -5.08 107.32 95.73 2jri s GLY 52 Ca 0.00 2.31 -0.15 0.00 0.00 0.00 0.00 44.72 46.87 2jri s GLY 52 CO 0.00 2.84 1.35 -1.34 0.00 0.00 0.00 173.10 175.94 2jri s VAL 53 N 2.53 4.90 0.79 1.40 -7.23 -1.26 -4.66 120.40 116.87 2jri s VAL 53 Ca -0.07 -2.27 -0.12 0.00 -1.81 0.00 0.00 61.98 57.71 2jri s VAL 53 Cb -0.10 -4.88 0.18 0.00 0.56 0.00 0.00 36.38 32.14 2jri s VAL 53 CO -0.19 -1.60 1.07 0.35 -0.31 0.00 0.00 175.10 174.42 2jri n THR 54 N 4.96 0.00 0.00 5.32 -2.24 -1.26 -5.03 114.28 116.03 2jri n THR 54 Ca 0.33 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2jri n THR 54 Cb 0.45 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 2jri n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jri n SER 55 N -3.63 0.00 -0.11 3.42 3.41 -1.26 -4.29 113.62 111.16 2jri n SER 55 Ca 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.64 2jri n SER 55 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2jri n SER 55 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jri h GLU 56 N 0.00 0.58 -0.90 4.33 3.07 -2.00 -2.66 114.58 116.99 2jri h GLU 56 Ca 0.00 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 2jri h GLU 56 Cb 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.81 2jri h GLU 56 CO 0.00 0.70 0.49 0.22 -1.40 0.00 0.00 179.01 179.03 2jri h ASP 57 N 0.38 1.13 -0.51 1.42 3.58 -1.98 -0.57 116.42 119.87 2jri h ASP 57 Ca 0.09 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jri h ASP 57 Cb 0.44 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2jri h ASP 57 CO 0.02 0.90 0.32 0.22 -2.88 0.00 0.00 179.24 177.82 2jri h TYR 58 N 1.26 0.66 -0.17 0.28 3.20 -1.71 0.20 116.97 120.69 2jri h TYR 58 Ca 0.32 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2jri h TYR 58 Cb 0.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2jri h TYR 58 CO 0.01 0.44 0.05 0.00 -1.64 0.00 0.00 178.16 177.02 2jri h ARG 59 N 0.69 0.27 0.00 1.82 3.08 -1.09 -1.70 114.38 117.44 2jri h ARG 59 Ca 0.19 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2jri h ARG 59 Cb -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2jri h ARG 59 CO -0.04 0.40 -0.10 1.79 -1.07 0.00 0.00 179.97 180.96 2jri h THR 60 N 0.09 0.46 0.02 2.04 1.35 -0.84 -1.68 112.91 114.35 2jri h THR 60 Ca 0.05 -0.50 -0.21 0.00 -0.55 0.00 0.00 66.41 65.21 2jri h THR 60 Cb 0.25 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 2jri h THR 60 CO -0.00 0.10 -0.94 0.15 -0.25 0.00 0.00 175.52 174.58 2jri h PHE 61 N 0.00 0.21 0.00 4.73 3.57 -0.15 -2.81 116.94 122.49 2jri h PHE 61 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 2jri h PHE 61 Cb 0.34 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2jri h PHE 61 CO 0.00 0.99 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.92 2jri h LEU 62 N 0.06 0.00 -3.14 0.59 3.38 -0.40 -1.79 115.31 114.01 2jri h LEU 62 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jri h LEU 62 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2jri h LEU 62 CO 0.14 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2jri n GLN 63 N -3.23 3.56 -2.16 1.13 6.02 -1.09 -4.80 117.38 116.81 2jri n GLN 63 Ca 0.00 -2.79 -0.38 0.00 -0.01 0.00 0.00 57.00 53.82 2jri n GLN 63 Cb 0.33 -1.82 -0.00 0.00 1.02 0.00 0.00 30.24 29.77 2jri n GLN 63 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2jri s GLN 64 N -1.90 3.72 0.99 -1.09 2.00 -0.67 -4.94 119.66 117.77 2jri s GLN 64 Ca 0.47 1.91 -0.12 0.00 -2.00 0.00 0.00 55.36 55.61 2jri s GLN 64 Cb 0.31 -2.46 0.13 0.00 0.80 0.00 0.00 33.01 31.79 2jri s GLN 64 CO 0.21 -0.62 0.79 -2.30 -0.50 0.00 0.00 175.29 172.87 2jri n PRO 65 N -0.42 -0.81 0.00 1.67 -0.02 -1.26 -3.09 135.00 131.06 2jri n PRO 65 Ca 0.07 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2jri n PRO 65 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 -3.21 0.00 -0.11 2.55 7.64 -1.26 -4.60 113.62 114.63 2jri n SER 66 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.86 2jri n SER 66 Cb 0.54 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.62 0.88 0.23 0.00 -1.83 -3.08 103.07 99.88 2jri h GLY 67 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2jri h GLY 67 CO 0.00 0.39 0.04 3.43 0.00 0.00 0.00 176.54 180.40 2jri h ASN 68 N 0.39 0.47 0.00 0.19 2.35 -1.81 -2.89 115.58 114.29 2jri h ASN 68 Ca 0.10 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2jri h ASN 68 Cb 0.39 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2jri h ASN 68 CO 0.01 0.62 0.00 0.80 -1.65 0.00 0.00 177.43 177.21 2jri n MET 69 N -4.63 0.00 0.00 0.81 0.00 -1.16 -4.03 117.12 108.11 2jri n MET 69 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 2jri n MET 69 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.44 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 0.00 6.12 2.03 -1.26 -3.84 116.55 119.60 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 0.00 0.00 1.67 -0.08 -1.26 -4.04 116.55 112.83 2jri n ASP 71 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jri n ASP 71 Cb 0.00 0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 -1.77 0.00 -1.45 1.67 7.64 -1.26 -4.98 113.62 113.48 2jri n SER 72 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2jri n SER 72 Cb 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 2.91 0.00 0.23 0.00 -1.26 -4.83 105.19 107.23 2jri n GLY 73 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.14 -1.09 -3.73 1.61 3.72 -1.26 -2.17 117.46 114.69 2jri n PHE 74 Ca 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.46 2jri n PHE 74 Cb 0.80 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.76 -0.47 0.56 1.38 0.08 -1.26 -4.82 117.98 114.20 2jri s PHE 75 Ca 0.00 1.11 -0.08 0.00 0.12 0.00 0.00 56.93 58.08 2jri s PHE 75 Cb 0.00 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.60 2jri s PHE 75 CO 0.00 -0.24 0.90 -1.12 -0.10 0.00 0.00 175.22 174.66 2jri s SER 76 N 0.52 6.09 0.61 1.36 0.01 -1.25 -4.94 113.70 116.10 2jri s SER 76 Ca -0.03 1.07 0.32 0.00 1.31 0.00 0.00 55.95 58.62 2jri s SER 76 Cb -0.04 -2.21 1.89 0.00 0.21 0.00 0.00 66.02 65.86 2jri s SER 76 CO -0.03 -0.80 2.22 -0.29 0.41 0.00 0.00 173.24 174.75 2jri h ILE 77 N -0.07 0.38 -0.62 1.44 2.10 -1.97 -1.86 117.51 116.91 2jri h ILE 77 Ca -0.46 0.00 0.15 0.00 1.08 0.00 0.00 64.86 65.64 2jri h ILE 77 Cb 1.21 0.93 -0.03 0.00 -1.09 0.00 0.00 36.82 37.84 2jri h ILE 77 CO 0.62 0.00 0.43 1.56 -1.08 0.00 0.00 178.15 179.68 2jri h GLN 78 N 0.00 0.16 0.00 2.19 7.50 -1.92 0.77 115.11 123.81 2jri h GLN 78 Ca 0.03 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2jri h GLN 78 Cb 0.18 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2jri h GLN 78 CO -0.00 0.11 0.00 1.33 -1.50 0.00 0.00 178.83 178.77 2jri n VAL 79 N -4.41 0.10 -0.05 -0.54 0.24 -0.70 -3.27 118.33 109.69 2jri n VAL 79 Ca 0.12 0.02 -0.21 0.00 -2.04 0.00 0.00 64.34 62.23 2jri n VAL 79 Cb 0.58 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 32.27 2jri n VAL 79 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jri h ILE 80 N 0.00 1.06 0.00 1.34 1.08 -1.01 -2.60 117.51 117.37 2jri h ILE 80 Ca 0.00 -2.30 -0.02 0.00 -0.39 0.00 0.00 64.86 62.15 2jri h ILE 80 Cb 0.47 2.60 -0.00 0.00 -3.07 0.00 0.00 36.82 36.81 2jri h ILE 80 CO 0.00 0.55 -0.09 0.28 -0.69 0.00 0.00 178.15 178.20 2jri h SER 81 N -0.64 0.00 0.45 1.72 0.02 -1.61 -2.58 113.55 110.91 2jri h SER 81 Ca -0.29 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.45 2jri h SER 81 Cb 1.50 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.00 2jri h SER 81 CO -0.05 0.09 -1.73 -3.20 -1.14 0.00 0.00 176.83 170.80 2jri n ASN 82 N -3.48 0.60 -0.23 3.07 5.15 -1.20 -3.60 115.26 115.55 2jri n ASN 82 Ca -0.02 0.27 0.09 0.00 -0.60 0.00 0.00 54.58 54.33 2jri n ASN 82 Cb 0.23 0.48 0.36 0.00 -0.53 0.00 0.00 39.78 40.32 2jri n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jri h ALA 83 N 1.32 1.77 0.00 5.20 0.00 -1.04 -0.40 119.26 126.12 2jri h ALA 83 Ca -0.25 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.36 2jri h ALA 83 Cb 1.74 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 2jri h ALA 83 CO 0.04 0.04 -1.79 1.28 0.00 0.00 0.00 179.25 178.83 2jri n LEU 84 N -4.52 0.83 0.02 0.00 7.99 -1.24 -4.21 117.00 115.86 2jri n LEU 84 Ca 0.14 0.37 -0.04 0.00 -0.01 0.00 0.00 56.01 56.47 2jri n LEU 84 Cb 0.36 0.17 0.19 0.00 -0.11 0.00 0.00 43.42 44.03 2jri n LEU 84 CO 0.31 0.41 0.71 0.50 -1.51 0.00 0.00 177.39 177.81 2jri h LYS 85 N 0.00 0.48 0.00 3.23 3.64 -1.43 -1.61 116.57 120.88 2jri h LYS 85 Ca -0.32 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2jri h LYS 85 Cb 2.04 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2jri h LYS 85 CO 0.07 0.72 -0.00 -0.39 -2.27 0.00 0.00 179.45 177.58 2jri h VAL 86 N 0.42 0.01 0.00 2.00 -1.51 -1.27 -0.62 116.25 115.27 2jri h VAL 86 Ca 0.06 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2jri h VAL 86 Cb 0.71 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2jri h VAL 86 CO 0.05 0.00 -0.95 0.79 -1.23 0.00 0.00 177.57 176.24 2jri n TRP 87 N -3.09 0.55 0.00 5.19 7.02 -1.03 -4.94 117.44 121.13 2jri n TRP 87 Ca -0.02 0.16 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 2jri n TRP 87 Cb 0.17 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 2jri n TRP 87 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jri n GLY 88 N 1.30 1.11 3.99 6.99 0.00 -0.24 -5.12 105.19 113.22 2jri n GLY 88 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 3.04 0.06 0.99 2.01 -0.63 -4.98 118.68 119.17 2jri s LEU 89 Ca 0.00 -0.34 0.04 0.00 0.01 0.00 0.00 54.13 53.84 2jri s LEU 89 Cb 0.00 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 44.06 2jri s LEU 89 CO 0.00 -1.68 -0.11 -0.70 1.01 0.00 0.00 176.35 174.87 2jri s GLU 90 N -5.03 0.70 -0.23 1.70 2.12 -1.06 -3.74 118.70 113.16 2jri s GLU 90 Ca 0.64 -0.91 -0.02 0.00 0.36 0.00 0.00 54.97 55.05 2jri s GLU 90 Cb -0.06 -0.55 0.02 0.00 0.26 0.00 0.00 34.13 33.79 2jri s GLU 90 CO 0.43 0.11 -0.08 -1.17 -0.54 0.00 0.00 175.26 174.00 2jri s LEU 91 N -1.80 2.94 -0.13 2.70 2.96 -1.26 0.22 118.68 124.31 2jri s LEU 91 Ca -0.04 -0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 2jri s LEU 91 Cb -0.09 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2jri s LEU 91 CO 0.01 -0.08 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.29 2jri s ILE 92 N 1.35 3.95 -0.95 6.68 -1.09 0.80 -4.92 121.20 127.02 2jri s ILE 92 Ca 0.02 -0.36 -0.18 0.00 -2.23 0.00 0.00 60.65 57.91 2jri s ILE 92 Cb -0.16 -2.70 0.14 0.00 -1.58 0.00 0.00 42.46 38.17 2jri s ILE 92 CO -0.06 0.53 1.12 -0.22 -1.23 0.00 0.00 174.94 175.09 2jri s LEU 93 N -0.09 5.24 0.37 2.97 2.96 -1.26 -0.00 118.68 128.86 2jri s LEU 93 Ca 0.02 -2.21 0.27 0.00 -0.22 0.00 0.00 54.13 51.99 2jri s LEU 93 Cb -0.13 -2.38 1.27 0.00 0.50 0.00 0.00 46.19 45.45 2jri s LEU 93 CO 0.02 -0.98 1.80 0.15 -1.32 0.00 0.00 176.35 176.03 2jri h PHE 94 N 8.55 0.00 0.00 5.38 3.57 -1.16 -2.15 116.94 131.14 2jri h PHE 94 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2jri h PHE 94 Cb 1.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2jri h PHE 94 CO 1.14 0.00 -0.25 -0.97 -2.23 0.00 0.00 178.31 176.00 2jri h ASN 95 N 0.00 0.00 -3.44 0.41 -1.24 -1.87 -3.32 115.58 106.12 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 0.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 2jri h ASN 95 CO 0.00 0.25 0.29 -0.44 -1.29 0.00 0.00 177.43 176.24 2jri s SER 96 N -6.30 7.31 0.39 1.15 0.01 -0.81 -4.91 113.70 110.55 2jri s SER 96 Ca -0.01 1.58 0.20 0.00 1.31 0.00 0.00 55.95 59.04 2jri s SER 96 Cb 0.11 -2.53 1.18 0.00 0.21 0.00 0.00 66.02 64.99 2jri s SER 96 CO 0.64 -0.14 1.71 -0.65 0.41 0.00 0.00 173.24 175.21 2jri h PRO 97 N 6.31 0.30 -0.11 12.44 0.11 -1.88 0.21 132.00 149.37 2jri h PRO 97 Ca -0.42 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2jri h PRO 97 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2jri h PRO 97 CO 0.74 0.20 -0.13 1.05 -0.21 0.00 0.00 178.00 179.64 2jri h GLU 98 N 0.30 0.17 -0.25 1.05 9.09 -1.92 -2.35 114.58 120.67 2jri h GLU 98 Ca 0.69 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 60.06 2jri h GLU 98 Cb 1.82 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.90 2jri h GLU 98 CO -0.40 0.31 0.00 0.66 0.05 0.00 0.00 179.01 179.63 2jri n TYR 99 N -4.30 0.32 0.94 2.06 4.01 0.53 -4.27 117.16 116.45 2jri n TYR 99 Ca -0.01 -0.24 0.13 0.00 -0.16 0.00 0.00 57.90 57.62 2jri n TYR 99 Cb 0.25 -0.01 0.37 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.95 0.04 -2.04 -0.72 7.27 -0.02 -3.93 117.38 118.93 2jri n GLN 100 Ca 0.13 0.02 -0.35 0.00 0.07 0.00 0.00 57.00 56.87 2jri n GLN 100 Cb 0.45 -1.53 0.03 0.00 2.41 0.00 0.00 30.24 31.60 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 -1.59 3.00 0.13 3.69 1.85 -1.23 -4.62 116.66 117.88 2jri n ARG 101 Ca 0.06 -3.84 0.12 0.00 -1.00 0.00 0.00 57.85 53.19 2jri n ARG 101 Cb 0.35 -2.27 0.12 0.00 -1.05 0.00 0.00 32.46 29.62 2jri n ARG 101 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2jri h LEU 102 N 2.73 0.00 0.21 2.89 8.10 -1.88 -3.47 115.31 123.88 2jri h LEU 102 Ca 0.48 -0.05 -0.09 0.00 0.11 0.00 0.00 57.88 58.33 2jri h LEU 102 Cb 0.46 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.64 2jri h LEU 102 CO 1.24 0.03 -0.08 0.54 -4.11 0.00 0.00 178.44 176.05 2jri n ARG 103 N -2.62 -1.41 -3.16 0.17 3.00 -1.26 -4.97 116.66 106.40 2jri n ARG 103 Ca 0.02 0.57 -0.25 0.00 -0.01 0.00 0.00 57.85 58.18 2jri n ARG 103 Cb 0.51 -4.72 -0.01 0.00 0.00 0.00 0.00 32.46 28.24 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 -1.61 4.98 -0.18 0.55 1.01 -1.26 -5.08 121.20 119.61 2jri s ILE 104 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.26 2jri s ILE 104 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2jri s ILE 104 CO 0.00 -0.62 0.16 -0.62 0.00 0.00 0.00 174.94 173.85 2jri s ASP 105 N -4.07 6.27 0.47 3.58 2.15 -1.26 -4.99 116.67 118.82 2jri s ASP 105 Ca 0.42 0.31 0.16 0.00 0.43 0.00 0.00 52.55 53.87 2jri s ASP 105 Cb -0.10 -2.10 1.10 0.00 -0.30 0.00 0.00 42.92 41.52 2jri s ASP 105 CO 0.38 0.20 2.02 1.55 -0.17 0.00 0.00 175.17 179.16 2jri h PRO 106 N 6.43 0.00 0.00 4.34 0.13 -1.98 -1.73 132.00 139.19 2jri h PRO 106 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2jri h PRO 106 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jri h PRO 106 CO 0.73 0.16 -0.10 0.82 -0.23 0.00 0.00 178.00 179.38 2jri h ILE 107 N 0.00 0.19 -0.31 -3.56 2.04 -1.94 -2.77 117.51 111.17 2jri h ILE 107 Ca -0.00 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.82 2jri h ILE 107 Cb 0.29 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2jri h ILE 107 CO 0.02 0.09 0.00 -3.20 0.00 0.00 0.00 178.15 175.07 2jri n ASN 108 N -3.15 2.09 -2.07 1.72 5.15 -0.66 -4.90 115.26 113.44 2jri n ASN 108 Ca 0.02 -1.88 -0.01 0.00 -0.60 0.00 0.00 54.58 52.12 2jri n ASN 108 Cb 0.48 -0.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 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 0.62 0.37 -0.00 1.20 -0.58 -1.05 -4.97 120.64 116.23 2jri n GLU 109 Ca 0.15 -0.07 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 2jri n GLU 109 Cb 0.36 -0.03 -0.01 0.00 -0.57 0.00 0.00 31.44 31.19 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 -1.07 0.12 -3.64 3.49 0.00 -1.26 -4.94 116.66 109.36 2jri n ARG 110 Ca 0.00 0.05 -0.08 0.00 -0.00 0.00 0.00 57.85 57.82 2jri n ARG 110 Cb 0.02 -0.70 -0.07 0.00 -0.00 0.00 0.00 32.46 31.71 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -5.77 -0.84 -0.02 2.89 0.01 -1.26 -2.64 113.70 106.06 2jri s SER 111 Ca -0.07 1.41 -0.04 0.00 1.31 0.00 0.00 55.95 58.56 2jri s SER 111 Cb 0.02 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.62 2jri s SER 111 CO 0.09 -0.23 0.10 0.72 0.41 0.00 0.00 173.24 174.34 2jri s PHE 112 N 1.25 -0.02 -0.13 2.43 -0.12 -0.89 -1.23 117.98 119.27 2jri s PHE 112 Ca -0.07 0.05 -0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2jri s PHE 112 Cb -0.05 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 2jri s PHE 112 CO -0.14 -0.15 -0.13 0.42 -0.05 0.00 0.00 175.22 175.17 2jri s ILE 113 N -0.62 3.04 -0.34 -4.49 1.01 0.51 -0.81 121.20 119.50 2jri s ILE 113 Ca -0.07 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 2jri s ILE 113 Cb -0.04 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.18 2jri s ILE 113 CO 0.00 0.52 0.12 0.00 0.00 0.00 0.00 174.94 175.59 2jri s ASN 115 N 1.46 7.11 -0.58 0.00 2.47 -0.66 0.35 114.94 125.08 2jri s ASN 115 Ca 0.00 1.33 0.06 0.00 0.42 0.00 0.00 52.86 54.67 2jri s ASN 115 Cb -0.19 -2.44 0.27 0.00 -1.45 0.00 0.00 41.25 37.44 2jri s ASN 115 CO 0.04 -0.06 0.76 0.00 -3.72 0.00 0.00 177.10 174.12 2jri n TYR 116 N 3.31 3.06 0.00 0.43 9.36 0.13 -0.46 117.16 132.99 2jri n TYR 116 Ca -0.02 -4.03 0.00 0.00 3.32 0.00 0.00 57.90 57.17 2jri n TYR 116 Cb 0.51 -0.51 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.67 0.00 0.00 2.98 3.00 -1.26 -2.91 118.16 120.64 2jri n LYS 117 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.60 2jri n LYS 117 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.46 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 2.63 -4.26 1.64 0.00 -1.26 -5.04 120.64 114.35 2jri n GLU 118 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 2jri n GLU 118 Cb 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 31.44 30.50 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 -1.64 3.14 -0.08 4.31 3.76 -1.15 -5.10 115.29 118.53 2jri s HIS 119 Ca 0.00 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 54.84 2jri s HIS 119 Cb 0.00 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2jri s HIS 119 CO 0.00 0.16 0.01 -1.58 -0.85 0.00 0.00 174.74 172.48 2jri s TRP 120 N 0.05 3.18 -0.56 1.40 0.52 -1.26 0.19 118.94 122.47 2jri s TRP 120 Ca 0.02 0.20 -0.08 0.00 0.02 0.00 0.00 56.10 56.27 2jri s TRP 120 Cb -0.13 -1.79 0.14 0.00 -1.15 0.00 0.00 33.47 30.55 2jri s TRP 120 CO 0.02 0.48 0.42 -0.06 0.02 0.00 0.00 176.95 177.83 2jri s PHE 121 N -0.91 3.49 -0.32 -1.98 0.40 0.16 -4.73 117.98 114.08 2jri s PHE 121 Ca 0.14 -2.16 -0.29 0.00 -0.60 0.00 0.00 56.93 54.02 2jri s PHE 121 Cb -0.11 -3.44 0.02 0.00 0.51 0.00 0.00 43.02 39.99 2jri s PHE 121 CO 0.03 -0.95 1.10 0.99 0.70 0.00 0.00 175.22 177.09 2jri s THR 122 N 0.80 4.47 -0.33 0.64 2.01 -1.22 -0.69 115.64 121.32 2jri s THR 122 Ca 0.11 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.74 2jri s THR 122 Cb -0.22 -4.39 0.04 0.00 0.01 0.00 0.00 72.50 67.94 2jri s THR 122 CO -0.03 -0.49 0.08 -0.69 -0.69 0.00 0.00 174.62 172.81 2jri s VAL 123 N 3.73 3.63 -0.11 3.82 1.01 0.01 -0.02 120.40 132.47 2jri s VAL 123 Ca 0.47 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2jri s VAL 123 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2jri s VAL 123 CO 0.16 -0.15 -0.04 -0.60 0.00 0.00 0.00 175.10 174.48 2jri s ARG 124 N 1.38 3.24 0.01 2.72 6.06 -0.42 -2.10 118.95 129.84 2jri s ARG 124 Ca -0.02 -0.50 -0.30 0.00 -2.50 0.00 0.00 55.73 52.41 2jri s ARG 124 Cb -0.19 -2.79 -0.04 0.00 0.06 0.00 0.00 34.95 31.99 2jri s ARG 124 CO 0.02 0.48 1.06 0.21 -2.50 0.00 0.00 175.30 174.57 2jri s LYS 125 N -0.28 4.50 -0.13 5.12 2.36 -1.08 -1.62 119.74 128.62 2jri s LYS 125 Ca 0.05 1.54 -0.00 0.00 -2.55 0.00 0.00 55.97 55.00 2jri s LYS 125 Cb -0.13 -3.43 0.03 0.00 -1.05 0.00 0.00 37.83 33.25 2jri s LYS 125 CO 0.02 -0.14 -0.08 -0.51 1.55 0.00 0.00 175.35 176.19 2jri s LEU 126 N 1.12 1.32 0.00 5.43 1.02 0.61 -4.85 118.68 123.33 2jri s LEU 126 Ca 0.54 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.31 2jri s LEU 126 Cb -0.24 -0.90 0.00 0.00 0.02 0.00 0.00 46.19 45.07 2jri s LEU 126 CO 0.28 -0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.14 2jri n GLY 127 N 4.91 0.61 0.00 -3.19 0.00 -1.04 -1.26 105.19 105.21 2jri n GLY 127 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jri n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jri n LYS 128 N 0.00 0.08 -1.86 1.61 0.00 -1.26 -4.91 118.16 111.82 2jri n LYS 128 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.08 2jri n LYS 128 Cb 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 35.03 35.16 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 -0.36 -0.71 -4.20 1.64 3.00 -0.39 -5.00 117.38 111.35 2jri n GLN 129 Ca 0.00 -1.97 -0.18 0.00 -0.01 0.00 0.00 57.00 54.85 2jri n GLN 129 Cb 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 30.24 29.17 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 -3.17 1.28 0.01 1.08 0.52 -1.13 -0.29 118.94 117.24 2jri s TRP 130 Ca 0.62 -0.52 0.01 0.00 0.02 0.00 0.00 56.10 56.22 2jri s TRP 130 Cb -0.02 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.59 2jri s TRP 130 CO 0.42 0.09 -0.04 -0.06 0.02 0.00 0.00 176.95 177.38 2jri s PHE 131 N -1.76 0.31 -0.11 -1.98 0.08 -0.64 -1.22 117.98 112.66 2jri s PHE 131 Ca 0.03 -0.26 -0.10 0.00 0.12 0.00 0.00 56.93 56.72 2jri s PHE 131 Cb -0.07 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.13 2jri s PHE 131 CO 0.02 -0.07 0.22 1.21 -0.10 0.00 0.00 175.22 176.51 2jri s ASN 132 N -0.73 6.47 -0.22 1.36 2.47 -1.20 -1.30 114.94 121.78 2jri s ASN 132 Ca -0.06 0.55 0.01 0.00 0.42 0.00 0.00 52.86 53.79 2jri s ASN 132 Cb -0.05 -2.13 0.05 0.00 -1.45 0.00 0.00 41.25 37.67 2jri s ASN 132 CO -0.00 0.31 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.84 2jri s LEU 133 N -0.60 2.62 -0.16 3.21 1.43 0.97 -3.84 118.68 122.31 2jri s LEU 133 Ca 0.16 -1.10 -0.15 0.00 -1.03 0.00 0.00 54.13 52.01 2jri s LEU 133 Cb -0.13 -1.28 0.04 0.00 0.03 0.00 0.00 46.19 44.85 2jri s LEU 133 CO 0.05 -0.19 0.43 0.21 0.23 0.00 0.00 176.35 177.08 2jri s ASN 134 N 1.34 -0.45 -1.16 2.29 2.47 -1.26 -3.41 114.94 114.75 2jri s ASN 134 Ca -0.05 0.86 -0.14 0.00 0.42 0.00 0.00 52.86 53.96 2jri s ASN 134 Cb -0.18 0.87 -0.06 0.00 -1.45 0.00 0.00 41.25 40.43 2jri s ASN 134 CO -0.07 -0.15 2.25 -1.20 -3.72 0.00 0.00 177.10 174.21 2jri n SER 135 N 2.88 4.59 0.00 -4.21 7.64 -1.26 -3.76 113.62 119.49 2jri n SER 135 Ca -0.13 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2jri n SER 135 Cb 0.57 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 5.64 0.00 -4.59 -3.43 7.94 -1.26 -5.11 117.00 116.20 2jri n LEU 136 Ca 0.55 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 55.00 2jri n LEU 136 Cb 0.31 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.24 2jri n LEU 136 CO 0.89 -0.01 0.57 0.00 -1.11 0.00 0.00 177.39 177.73 2jri n LEU 137 N -1.03 1.73 -2.06 -1.96 -0.00 -1.25 -4.87 117.00 107.56 2jri n LEU 137 Ca 0.00 1.18 -0.23 0.00 -0.00 0.00 0.00 56.01 56.95 2jri n LEU 137 Cb 0.00 -1.28 0.09 0.00 -0.00 0.00 0.00 43.42 42.23 2jri n LEU 137 CO 0.00 -1.42 1.26 1.07 -0.00 0.00 0.00 177.39 178.30 2jri n THR 138 N 0.29 3.04 0.00 1.47 5.66 -1.26 -4.86 114.28 118.62 2jri n THR 138 Ca 0.10 -2.02 0.00 0.00 -3.05 0.00 0.00 64.05 59.08 2jri n THR 138 Cb 0.31 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.09 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 -0.50 1.82 3.65 1.09 0.00 -1.26 -5.12 105.19 104.87 2jri n GLY 139 Ca 0.47 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.19 2.58 -2.05 1.61 -0.02 -1.26 -4.90 135.00 130.77 2jri n PRO 140 Ca 0.00 0.92 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 2jri n PRO 140 Cb 0.00 -2.98 -0.03 0.00 -0.02 0.00 0.00 33.50 30.48 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 4.74 3.66 -0.16 -0.52 2.02 -1.25 -4.84 118.70 122.35 2jri s GLU 141 Ca 0.92 1.64 -0.29 0.00 0.02 0.00 0.00 54.97 57.26 2jri s GLU 141 Cb -0.47 -4.10 -0.04 0.00 0.10 0.00 0.00 34.13 29.63 2jri s GLU 141 CO 0.43 -1.46 1.63 -1.17 0.02 0.00 0.00 175.26 174.71 2jri s LEU 142 N 5.73 4.03 -0.27 1.80 2.96 -1.26 -3.24 118.68 128.44 2jri s LEU 142 Ca 0.75 1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 56.44 2jri s LEU 142 Cb -0.25 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 42.91 2jri s LEU 142 CO 0.31 -1.15 0.04 -0.63 -1.32 0.00 0.00 176.35 173.60 2jri s ILE 143 N 4.84 3.76 0.87 6.68 1.01 -0.35 -5.04 121.20 132.97 2jri s ILE 143 Ca 0.72 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 2jri s ILE 143 Cb -0.28 -2.87 0.13 0.00 0.01 0.00 0.00 42.46 39.45 2jri s ILE 143 CO 0.29 0.20 1.24 -0.44 0.00 0.00 0.00 174.94 176.22 2jri s SER 144 N 1.49 3.94 0.00 3.58 0.01 -1.26 -2.85 113.70 118.61 2jri s SER 144 Ca 0.03 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2jri s SER 144 Cb -0.16 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.18 2jri s SER 144 CO 0.01 -2.24 0.92 0.47 0.41 0.00 0.00 173.24 172.81 2jri n ASP 145 N -3.50 0.00 0.22 2.44 9.92 -1.26 -0.98 116.55 123.39 2jri n ASP 145 Ca 0.11 0.92 0.07 0.00 -0.53 0.00 0.00 54.79 55.36 2jri n ASP 145 Cb 0.60 -0.42 0.57 0.00 -0.64 0.00 0.00 41.12 41.24 2jri n ASP 145 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jri h THR 146 N 0.00 1.05 -0.64 -3.53 2.02 -2.01 -1.86 112.91 107.94 2jri h THR 146 Ca 0.00 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 2jri h THR 146 Cb 0.00 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2jri h THR 146 CO 0.00 0.06 0.16 0.22 0.37 0.00 0.00 175.52 176.34 2jri h TYR 147 N 0.06 1.05 -0.70 3.16 3.20 -1.92 -2.49 116.97 119.34 2jri h TYR 147 Ca 0.02 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 2jri h TYR 147 Cb 0.09 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2jri h TYR 147 CO 0.00 0.86 0.35 1.25 -1.64 0.00 0.00 178.16 178.99 2jri h LEU 148 N 0.96 0.87 -0.99 2.82 5.85 -0.18 0.30 115.31 124.95 2jri h LEU 148 Ca 0.21 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2jri h LEU 148 Cb 0.34 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2jri h LEU 148 CO -0.00 0.73 0.38 0.00 -0.34 0.00 0.00 178.44 179.20 2jri h ALA 149 N 1.41 1.21 0.08 1.25 0.00 -1.39 0.53 119.26 122.36 2jri h ALA 149 Ca 0.24 -0.14 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 2jri h ALA 149 Cb 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.57 2jri h ALA 149 CO -0.04 0.61 -1.18 1.25 0.00 0.00 0.00 179.25 179.89 2jri h LEU 150 N 1.09 0.89 -0.15 0.00 5.85 -1.15 -3.05 115.31 118.78 2jri h LEU 150 Ca 0.27 -0.78 0.03 0.00 0.84 0.00 0.00 57.88 58.24 2jri h LEU 150 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2jri h LEU 150 CO -0.04 1.59 -0.04 0.15 -0.34 0.00 0.00 178.44 179.76 2jri h PHE 151 N 0.31 -0.10 -0.79 1.25 3.57 -0.06 0.71 116.94 121.84 2jri h PHE 151 Ca -0.17 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.39 2jri h PHE 151 Cb 1.85 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.61 2jri h PHE 151 CO 0.11 -0.07 0.52 -0.07 -2.23 0.00 0.00 178.31 176.57 2jri h LEU 152 N -0.01 0.80 -0.29 0.59 -0.00 -0.98 -1.67 115.31 113.75 2jri h LEU 152 Ca 0.07 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.81 2jri h LEU 152 Cb 0.12 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2jri h LEU 152 CO -0.16 0.54 -0.35 0.00 -0.00 0.00 0.00 178.44 178.47 2jri h ALA 153 N 1.55 0.44 -0.99 1.53 0.00 -1.24 -3.05 119.26 117.50 2jri h ALA 153 Ca 0.33 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jri h ALA 153 Cb 0.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2jri h ALA 153 CO -0.10 0.50 0.66 1.96 0.00 0.00 0.00 179.25 182.27 2jri h GLN 154 N 0.51 1.31 -0.89 0.00 1.08 -0.18 -2.04 115.11 114.90 2jri h GLN 154 Ca 0.04 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2jri h GLN 154 Cb 0.93 -0.29 -0.04 0.00 -0.05 0.00 0.00 27.48 28.03 2jri h GLN 154 CO 0.08 0.87 0.54 -0.07 -0.95 0.00 0.00 178.83 179.30 2jri h LEU 155 N 1.35 1.07 -0.60 1.46 3.38 -1.28 -0.08 115.31 120.61 2jri h LEU 155 Ca 0.36 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 2jri h LEU 155 Cb -0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.31 2jri h LEU 155 CO -0.08 0.82 -0.07 1.56 0.09 0.00 0.00 178.44 180.76 2jri h GLN 156 N 1.23 1.03 -0.12 1.13 4.20 -1.31 -0.04 115.11 121.23 2jri h GLN 156 Ca 0.32 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2jri h GLN 156 Cb -0.05 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2jri h GLN 156 CO -0.06 1.05 -0.02 1.96 -0.67 0.00 0.00 178.83 181.10 2jri h GLN 157 N 0.93 0.23 0.16 1.46 4.20 -0.92 -3.27 115.11 117.89 2jri h GLN 157 Ca 0.15 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2jri h GLN 157 Cb 0.64 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.40 2jri h GLN 157 CO 0.04 0.50 -0.08 1.49 -0.67 0.00 0.00 178.83 180.11 2jri h GLU 158 N -0.07 -0.21 0.00 1.46 4.57 -0.98 -3.47 114.58 115.87 2jri h GLU 158 Ca 0.03 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2jri h GLU 158 Cb 0.41 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2jri h GLU 158 CO 0.01 -0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.15 2jri n GLY 159 N -1.03 0.53 0.00 1.92 0.00 -0.60 -5.11 105.19 100.91 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 -1.88 -3.19 1.61 4.02 -0.13 -4.75 117.16 112.84 2jri n TYR 160 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 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 0.45 -0.51 7.72 0.01 0.39 -4.88 113.70 115.89 2jri s SER 161 Ca 0.00 -2.27 -0.27 0.00 1.31 0.00 0.00 55.95 54.71 2jri s SER 161 Cb 0.00 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.77 2jri s SER 161 CO 0.00 -0.16 1.71 -0.63 0.41 0.00 0.00 173.24 174.57 2jri s ILE 162 N 0.66 3.53 -0.43 1.44 1.01 -1.26 -1.65 121.20 124.49 2jri s ILE 162 Ca 0.28 0.44 -0.13 0.00 0.00 0.00 0.00 60.65 61.24 2jri s ILE 162 Cb -0.02 -3.99 0.06 0.00 0.01 0.00 0.00 42.46 38.51 2jri s ILE 162 CO -0.11 -0.82 0.32 -0.36 0.00 0.00 0.00 174.94 173.96 2jri s PHE 163 N 7.50 3.27 -0.17 3.97 0.08 0.13 -0.70 117.98 132.05 2jri s PHE 163 Ca 0.67 -1.06 -0.09 0.00 0.12 0.00 0.00 56.93 56.57 2jri s PHE 163 Cb -0.15 -2.92 -0.05 0.00 -0.57 0.00 0.00 43.02 39.33 2jri s PHE 163 CO 0.26 -0.76 0.13 0.54 -0.10 0.00 0.00 175.22 175.28 2jri s VAL 164 N 1.57 5.37 0.02 -0.44 0.11 0.99 -0.36 120.40 127.66 2jri s VAL 164 Ca 0.03 0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 59.01 2jri s VAL 164 Cb -0.22 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 2jri s VAL 164 CO 0.06 0.50 0.74 -0.69 -3.33 0.00 0.00 175.10 172.37 2jri s VAL 165 N -0.07 4.81 -0.10 2.04 1.01 -0.37 -0.14 120.40 127.57 2jri s VAL 165 Ca 0.10 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 2jri s VAL 165 Cb -0.11 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2jri s VAL 165 CO -0.00 0.35 -0.03 -0.54 0.00 0.00 0.00 175.10 174.88 2jri s LYS 166 N 0.08 3.16 0.00 2.72 -0.14 0.13 -4.52 119.74 121.17 2jri s LYS 166 Ca 0.38 -0.48 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 2jri s LYS 166 Cb -0.20 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.17 2jri s LYS 166 CO 0.22 0.54 0.00 0.41 -0.76 0.00 0.00 175.35 175.75 2jri n GLY 167 N 2.63 0.22 3.55 -3.33 0.00 -1.26 -2.58 105.19 104.42 2jri n GLY 167 Ca -0.18 -2.27 -0.36 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 5.50 0.18 1.61 1.01 -1.26 -4.93 116.67 114.78 2jri s ASP 168 Ca 0.00 -0.05 0.08 0.00 0.71 0.00 0.00 52.55 53.28 2jri s ASP 168 Cb 0.00 -1.98 -0.04 0.00 1.01 0.00 0.00 42.92 41.91 2jri s ASP 168 CO 0.00 0.05 0.00 -0.76 0.21 0.00 0.00 175.17 174.67 2jri s LEU 169 N 1.14 3.30 0.37 1.23 1.02 -1.26 -4.98 118.68 119.49 2jri s LEU 169 Ca 0.05 -0.42 -0.28 0.00 0.02 0.00 0.00 54.13 53.50 2jri s LEU 169 Cb -0.14 -1.94 -0.10 0.00 0.02 0.00 0.00 46.19 44.02 2jri s LEU 169 CO 0.04 0.08 1.38 -2.16 0.02 0.00 0.00 176.35 175.70 2jri s PRO 170 N -3.03 4.17 0.16 1.29 0.04 -1.26 -5.03 135.00 131.34 2jri s PRO 170 Ca 0.28 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.67 2jri s PRO 170 Cb -0.09 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.52 2jri s PRO 170 CO 0.19 -0.39 0.22 -0.40 0.04 0.00 0.00 177.00 176.65 2jri n ASP 171 N 0.51 0.40 -3.71 6.66 5.75 -1.26 -4.98 116.55 119.92 2jri n ASP 171 Ca 0.01 -1.31 -0.11 0.00 -0.01 0.00 0.00 54.79 53.37 2jri n ASP 171 Cb 0.41 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 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 2.22 0.67 0.00 0.00 4.57 -1.97 -1.24 114.58 118.84 2jri h GLU 173 Ca -0.28 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2jri h GLU 173 Cb 1.25 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2jri h GLU 173 CO 0.38 0.48 0.00 0.00 -1.18 0.00 0.00 179.01 178.69 2jri h ALA 174 N 1.64 1.00 0.00 2.92 0.00 -1.99 -0.64 119.26 122.19 2jri h ALA 174 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2jri h ALA 174 Cb -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jri h ALA 174 CO -0.03 0.00 -1.39 -3.47 0.00 0.00 0.00 179.25 174.36 2jri n ASP 175 N -2.87 0.74 0.01 0.00 2.03 -0.48 -3.13 116.55 112.85 2jri n ASP 175 Ca -0.01 0.31 -0.09 0.00 0.52 0.00 0.00 54.79 55.52 2jri n ASP 175 Cb 0.13 0.44 -0.13 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.02 0.00 -0.67 4.20 -1.05 -2.76 115.11 114.86 2jri h GLN 176 Ca -0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2jri h GLN 176 Cb 1.39 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2jri h GLN 176 CO 0.03 0.71 -0.79 1.37 -0.67 0.00 0.00 178.83 179.48 2jri h LEU 177 N 0.01 0.00 -2.74 1.46 8.10 -1.32 -3.36 115.31 117.45 2jri h LEU 177 Ca -0.19 -0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.76 2jri h LEU 177 Cb 1.93 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.14 2jri h LEU 177 CO 0.10 0.01 0.04 -0.11 -4.11 0.00 0.00 178.44 174.36 2jri n LEU 178 N -2.72 4.73 -0.22 0.17 -0.00 -1.18 -3.68 117.00 114.08 2jri n LEU 178 Ca 0.01 -2.21 0.11 0.00 -0.00 0.00 0.00 56.01 53.92 2jri n LEU 178 Cb 0.54 -0.93 0.01 0.00 -0.00 0.00 0.00 43.42 43.04 2jri n LEU 178 CO 0.39 0.87 0.21 0.00 -0.00 0.00 0.00 177.39 178.86 2jri n GLN 179 N 1.09 0.57 -2.82 1.96 1.13 -1.26 -3.94 117.38 114.11 2jri n GLN 179 Ca 0.03 -0.45 -0.11 0.00 -1.94 0.00 0.00 57.00 54.53 2jri n GLN 179 Cb 0.52 -1.49 0.06 0.00 0.11 0.00 0.00 30.24 29.44 2jri n GLN 179 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jri n MET 180 N -0.82 1.07 -4.03 -1.09 0.00 -1.24 -5.06 117.12 105.95 2jri n MET 180 Ca 0.07 -2.46 -0.31 0.00 0.00 0.00 0.00 57.70 55.00 2jri n MET 180 Cb 0.39 -0.99 -0.16 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.94 1.75 0.00 3.17 -1.09 -1.26 -5.19 121.20 117.64 2jri s ILE 181 Ca 0.27 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2jri s ILE 181 Cb 0.36 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 2jri s ILE 181 CO -0.05 0.29 0.00 -1.14 -1.23 0.00 0.00 174.94 172.81