#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jri n GLU 2 N 0.00 0.00 -2.33 2.12 4.71 -1.26 -4.95 120.64 118.92 2jri n GLU 2 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 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 -0.25 5.88 -0.04 1.62 0.01 -1.26 -4.95 113.70 114.72 2jri s SER 3 Ca 0.00 -0.95 0.05 0.00 1.31 0.00 0.00 55.95 56.37 2jri s SER 3 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2jri s SER 3 CO 0.00 -2.06 -0.20 -0.63 0.41 0.00 0.00 173.24 170.77 2jri s ILE 4 N 7.21 1.63 -1.10 1.44 1.01 -1.26 -2.97 121.20 127.17 2jri s ILE 4 Ca 0.55 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 2jri s ILE 4 Cb -0.04 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2jri s ILE 4 CO -0.02 0.46 1.85 -0.36 0.00 0.00 0.00 174.94 176.87 2jri s PHE 5 N -0.14 2.11 -1.10 3.97 0.08 -1.26 -4.85 117.98 116.79 2jri s PHE 5 Ca -0.01 0.03 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 2jri s PHE 5 Cb -0.11 -4.22 0.29 0.00 -0.57 0.00 0.00 43.02 38.41 2jri s PHE 5 CO 0.02 -1.55 1.32 1.58 -0.10 0.00 0.00 175.22 176.49 2jri n HIS 6 N 12.67 3.76 -2.21 0.36 -0.00 -1.26 -4.76 115.22 123.77 2jri n HIS 6 Ca 0.43 -3.23 -0.35 0.00 0.46 0.00 0.00 57.72 55.02 2jri n HIS 6 Cb 0.47 -1.50 0.01 0.00 -0.12 0.00 0.00 29.99 28.85 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 -1.96 3.29 -0.14 1.57 0.41 -1.26 -5.04 118.70 115.56 2jri s GLU 7 Ca 0.31 1.65 -0.04 0.00 -0.41 0.00 0.00 54.97 56.48 2jri s GLU 7 Cb -0.02 -1.99 0.07 0.00 -1.78 0.00 0.00 34.13 30.40 2jri s GLU 7 CO 0.01 -0.91 0.25 0.21 -0.49 0.00 0.00 175.26 174.34 2jri s LYS 8 N -3.29 0.15 0.18 1.61 2.47 -1.26 -4.89 119.74 114.70 2jri s LYS 8 Ca 0.74 0.66 0.07 0.00 -1.56 0.00 0.00 55.97 55.87 2jri s LYS 8 Cb -0.25 -0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 35.85 2jri s LYS 8 CO 0.28 -0.35 -0.14 1.14 0.16 0.00 0.00 175.35 176.45 2jri s GLN 9 N 2.40 1.24 -0.02 4.03 0.00 -1.26 -5.15 119.66 120.91 2jri s GLN 9 Ca 0.03 -1.52 0.02 0.00 -0.00 0.00 0.00 55.36 53.89 2jri s GLN 9 Cb -0.13 -1.01 0.00 0.00 0.00 0.00 0.00 33.01 31.87 2jri s GLN 9 CO -0.09 0.17 -0.08 -2.00 0.00 0.00 0.00 175.29 173.29 2jri s GLU 10 N -3.54 0.74 -0.05 9.60 2.56 -1.26 -4.98 118.70 121.77 2jri s GLU 10 Ca 0.20 -0.26 -0.00 0.00 0.00 0.00 0.00 54.97 54.91 2jri s GLU 10 Cb -0.01 -0.71 0.00 0.00 2.00 0.00 0.00 34.13 35.41 2jri s GLU 10 CO 0.05 0.11 0.01 0.41 -0.56 0.00 0.00 175.26 175.28 2jri n GLY 11 N 3.17 -2.89 7.00 -1.50 0.00 -1.26 -4.93 105.19 104.77 2jri n GLY 11 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.07 -3.11 -2.15 1.61 7.64 -1.26 -4.88 113.62 111.54 2jri n SER 12 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2jri n SER 12 Cb 0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.58 0.30 -3.43 7.99 -1.12 -4.84 117.00 114.32 2jri n LEU 13 Ca 0.00 0.17 0.19 0.00 -0.01 0.00 0.00 56.01 56.36 2jri n LEU 13 Cb 0.00 -2.65 0.93 0.00 -0.11 0.00 0.00 43.42 41.60 2jri n LEU 13 CO 0.00 -0.42 1.08 0.00 -1.51 0.00 0.00 177.39 176.54 2jri h ALA 15 N 1.97 1.29 -0.14 0.00 0.00 -1.95 -1.19 119.26 119.25 2jri h ALA 15 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jri h ALA 15 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jri h ALA 15 CO 0.00 0.39 0.00 0.94 0.00 0.00 0.00 179.25 180.58 2jri n GLN 16 N -3.89 1.76 0.01 0.00 7.27 -0.57 -3.31 117.38 118.64 2jri n GLN 16 Ca -0.02 -0.70 0.00 0.00 0.07 0.00 0.00 57.00 56.35 2jri n GLN 16 Cb 0.39 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2jri n HIS 17 N 0.10 -0.07 0.45 3.69 -0.00 -0.55 -4.53 115.22 114.31 2jri n HIS 17 Ca 0.06 0.01 -0.19 0.00 0.46 0.00 0.00 57.72 58.07 2jri n HIS 17 Cb 0.38 0.19 -0.09 0.00 -0.12 0.00 0.00 29.99 30.35 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 -1.22 1.03 -0.55 0.00 6.46 -1.82 0.11 115.31 119.32 2jri h LEU 19 Ca -0.12 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.49 2jri h LEU 19 Cb 0.89 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.50 2jri h LEU 19 CO 0.19 0.96 0.28 -1.13 -0.62 0.00 0.00 178.44 178.12 2jri h ASN 20 N 1.04 0.41 1.03 1.25 -0.73 -1.73 0.41 115.58 117.28 2jri h ASN 20 Ca 0.23 0.03 -0.20 0.00 1.87 0.00 0.00 56.30 58.23 2jri h ASN 20 Cb 0.29 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.80 2jri h ASN 20 CO -0.01 0.28 -0.98 0.78 -0.37 0.00 0.00 177.43 177.13 2jri h ASN 21 N 0.54 0.00 0.10 1.15 -0.26 -0.89 -1.39 115.58 114.84 2jri h ASN 21 Ca 0.24 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 2jri h ASN 21 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2jri h ASN 21 CO -0.17 0.93 -0.05 0.25 -1.06 0.00 0.00 177.43 177.34 2jri h LEU 22 N 0.00 -0.12 -0.33 1.61 7.12 -0.31 -3.04 115.31 120.24 2jri h LEU 22 Ca -0.02 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 57.70 2jri h LEU 22 Cb 1.73 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2jri h LEU 22 CO 0.12 0.23 0.00 -0.07 -0.13 0.00 0.00 178.44 178.59 2jri h LEU 23 N -0.48 0.00 -2.51 2.25 3.38 -1.04 -3.48 115.31 113.43 2jri h LEU 23 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2jri h LEU 23 Cb 0.39 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.18 2jri h LEU 23 CO 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.38 2jri n GLN 24 N -2.99 -1.24 0.00 1.13 1.13 -0.59 -4.63 117.38 110.19 2jri n GLN 24 Ca 0.03 1.15 0.00 0.00 -1.94 0.00 0.00 57.00 56.24 2jri n GLN 24 Cb 0.46 -4.93 0.00 0.00 0.11 0.00 0.00 30.24 25.89 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 -1.53 4.21 2.74 1.08 0.00 -0.83 -4.74 105.19 106.11 2jri n GLY 25 Ca -0.01 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2jri n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jri n GLU 26 N -1.37 3.22 -0.01 1.61 1.02 -1.26 -4.55 120.64 119.30 2jri n GLU 26 Ca 0.00 -2.90 -0.21 0.00 -0.02 0.00 0.00 57.16 54.03 2jri n GLU 26 Cb 0.00 -3.12 -0.14 0.00 -0.02 0.00 0.00 31.44 28.17 2jri n GLU 26 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2jri h TYR 27 N 5.80 0.37 -3.43 -0.32 0.05 -1.94 -3.46 116.97 114.04 2jri h TYR 27 Ca 0.54 -0.27 -0.54 0.00 0.05 0.00 0.00 58.73 58.51 2jri h TYR 27 Cb 0.60 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 2jri h TYR 27 CO 1.43 1.52 0.11 -0.06 -1.05 0.00 0.00 178.16 180.11 2jri s PHE 28 N -2.45 3.87 0.32 4.88 0.40 -1.26 -5.08 117.98 118.66 2jri s PHE 28 Ca -0.21 1.51 -0.07 0.00 -0.60 0.00 0.00 56.93 57.57 2jri s PHE 28 Cb 0.04 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.84 2jri s PHE 28 CO 0.74 0.54 0.62 -1.12 0.70 0.00 0.00 175.22 176.69 2jri s SER 29 N -1.12 6.48 0.48 1.36 0.01 -1.26 -4.99 113.70 114.66 2jri s SER 29 Ca 0.33 0.84 0.18 0.00 1.31 0.00 0.00 55.95 58.61 2jri s SER 29 Cb -0.22 -2.20 1.19 0.00 0.21 0.00 0.00 66.02 65.00 2jri s SER 29 CO 0.24 -0.25 2.02 -0.65 0.41 0.00 0.00 173.24 175.01 2jri h PRO 30 N 1.60 0.20 0.00 12.44 0.11 -2.01 -0.50 132.00 143.84 2jri h PRO 30 Ca -0.47 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2jri h PRO 30 Cb 1.19 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2jri h PRO 30 CO 0.66 0.13 -0.26 -0.24 -0.21 0.00 0.00 178.00 178.08 2jri h VAL 31 N 0.20 0.89 -0.05 3.15 3.04 -2.01 -2.61 116.25 118.86 2jri h VAL 31 Ca 0.21 -1.00 -0.17 0.00 -1.01 0.00 0.00 66.70 64.73 2jri h VAL 31 Cb 0.56 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2jri h VAL 31 CO -0.04 0.26 -0.69 -0.33 -1.01 0.00 0.00 177.57 175.76 2jri h GLU 32 N 0.00 0.26 -0.92 4.17 5.08 -1.47 -2.71 114.58 118.99 2jri h GLU 32 Ca -0.00 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2jri h GLU 32 Cb 0.57 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 2jri h GLU 32 CO 0.03 0.85 0.60 -0.07 -1.00 0.00 0.00 179.01 179.43 2jri h LEU 33 N 0.18 0.92 -0.11 1.33 3.38 -1.41 0.34 115.31 119.95 2jri h LEU 33 Ca -0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2jri h LEU 33 Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2jri h LEU 33 CO 0.11 0.59 -0.63 0.28 0.09 0.00 0.00 178.44 178.88 2jri h SER 34 N 1.04 0.00 0.34 -0.43 0.02 -1.59 -3.25 113.55 109.68 2jri h SER 34 Ca 0.40 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.02 2jri h SER 34 Cb 0.21 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.78 2jri h SER 34 CO -0.15 0.63 -1.45 0.28 -1.14 0.00 0.00 176.83 175.00 2jri h SER 35 N 0.00 0.76 0.56 3.07 0.02 -0.81 -3.26 113.55 113.88 2jri h SER 35 Ca -0.01 -0.82 -0.03 0.00 -0.84 0.00 0.00 61.79 60.10 2jri h SER 35 Cb 1.44 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2jri h SER 35 CO 0.08 1.64 -0.14 0.16 -1.14 0.00 0.00 176.83 177.43 2jri h ILE 36 N 0.13 0.51 -0.28 3.27 3.07 -0.49 -2.39 117.51 121.34 2jri h ILE 36 Ca -0.24 -0.70 -0.17 0.00 1.55 0.00 0.00 64.86 65.31 2jri h ILE 36 Cb 2.13 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 40.15 2jri h ILE 36 CO 0.26 0.14 -0.49 0.00 -1.05 0.00 0.00 178.15 177.01 2jri h ALA 37 N 1.86 0.61 0.00 0.16 0.00 -1.61 -2.89 119.26 117.39 2jri h ALA 37 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2jri h ALA 37 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jri h ALA 37 CO 0.02 0.68 0.00 1.25 0.00 0.00 0.00 179.25 181.20 2jri h HIS 38 N 0.60 0.00 0.00 0.00 -0.00 -1.47 -2.34 115.15 111.93 2jri h HIS 38 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 2jri h HIS 38 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.46 2jri h HIS 38 CO 0.06 0.00 -0.26 0.37 -0.00 0.00 0.00 177.93 178.09 2jri h GLN 39 N 0.00 0.00 -0.03 5.26 5.75 -1.43 -1.32 115.11 123.33 2jri h GLN 39 Ca 0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2jri h GLN 39 Cb 0.39 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 2jri h GLN 39 CO 0.00 0.26 -0.42 -0.07 -2.65 0.00 0.00 178.83 175.95 2jri h LEU 40 N 0.00 0.07 -1.07 -2.39 -0.00 -1.56 0.68 115.31 111.05 2jri h LEU 40 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 2jri h LEU 40 Cb 0.47 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 41.07 2jri h LEU 40 CO 0.03 0.49 0.57 -0.78 -0.00 0.00 0.00 178.44 178.76 2jri h ASP 41 N 0.06 1.06 0.14 -0.43 3.58 -1.30 0.43 116.42 119.96 2jri h ASP 41 Ca 0.00 -0.04 -0.22 0.00 0.42 0.00 0.00 57.03 57.19 2jri h ASP 41 Cb 0.78 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 41.59 2jri h ASP 41 CO 0.06 0.79 -0.95 -0.08 -2.88 0.00 0.00 179.24 176.18 2jri h GLU 42 N 1.23 0.40 -0.14 0.28 4.81 -1.33 -2.14 114.58 117.69 2jri h GLU 42 Ca 0.33 -0.61 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2jri h GLU 42 Cb -0.10 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2jri h GLU 42 CO -0.07 1.28 0.07 1.49 -0.73 0.00 0.00 179.01 181.05 2jri h GLU 43 N -0.17 0.19 0.00 1.92 4.81 -0.60 -2.31 114.58 118.42 2jri h GLU 43 Ca -0.16 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2jri h GLU 43 Cb 1.72 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 2jri h GLU 43 CO 0.18 0.22 -0.27 0.93 -0.73 0.00 0.00 179.01 179.34 2jri h GLU 44 N 0.12 0.00 -0.65 1.92 4.39 -0.27 -2.89 114.58 117.20 2jri h GLU 44 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jri h GLU 44 Cb 0.08 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2jri h GLU 44 CO -0.01 0.27 0.42 -0.09 -1.16 0.00 0.00 179.01 178.44 2jri h ARG 45 N 0.00 0.86 -0.68 2.33 2.43 -0.84 0.40 114.38 118.88 2jri h ARG 45 Ca -0.00 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 2jri h ARG 45 Cb 0.79 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2jri h ARG 45 CO 0.03 0.58 0.17 0.52 -1.51 0.00 0.00 179.97 179.76 2jri h MET 46 N 0.88 1.09 -0.11 0.20 2.86 -1.26 -2.25 114.93 116.33 2jri h MET 46 Ca 0.24 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2jri h MET 46 Cb -0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 2jri h MET 46 CO -0.05 0.96 -0.41 -0.09 1.06 0.00 0.00 176.91 178.37 2jri h ARG 47 N 1.03 0.25 0.00 1.72 1.12 -1.24 -2.31 114.38 114.95 2jri h ARG 47 Ca 0.22 -0.12 -0.03 0.00 -1.11 0.00 0.00 59.98 58.93 2jri h ARG 47 Cb 0.36 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 2jri h ARG 47 CO 0.00 0.63 -0.15 1.98 -3.11 0.00 0.00 179.97 179.32 2jri h MET 48 N 0.21 0.00 0.00 0.20 4.05 0.37 0.48 114.93 120.24 2jri h MET 48 Ca 0.02 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 59.28 2jri h MET 48 Cb 0.82 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.60 2jri h MET 48 CO 0.06 0.15 -1.04 0.00 0.23 0.00 0.00 176.91 176.32 2jri h ALA 49 N 1.85 0.63 0.16 0.39 0.00 -1.20 -3.33 119.26 117.77 2jri h ALA 49 Ca -0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 54.91 53.95 2jri h ALA 49 Cb 0.29 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.20 2jri h ALA 49 CO 0.02 0.90 -0.92 1.49 0.00 0.00 0.00 179.25 180.74 2jri h GLU 50 N 0.00 0.34 -2.87 0.00 4.81 -0.72 -3.39 114.58 112.75 2jri h GLU 50 Ca -0.09 -0.58 -0.69 0.00 -0.13 0.00 0.00 59.36 57.87 2jri h GLU 50 Cb 1.56 0.21 -0.36 0.00 0.63 0.00 0.00 28.75 30.80 2jri h GLU 50 CO 0.07 1.28 -0.07 0.41 -0.73 0.00 0.00 179.01 179.97 2jri n GLY 51 N 1.68 4.57 0.00 1.92 0.00 0.16 -4.95 105.19 108.57 2jri n GLY 51 Ca -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.21 2jri n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jri n GLY 52 N 1.61 3.83 0.00 -0.02 0.00 -1.25 -4.77 105.19 104.60 2jri n GLY 52 Ca 0.25 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2jri n GLY 52 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jri n VAL 53 N 0.00 0.00 -2.14 1.61 0.24 -1.26 -4.57 118.33 112.20 2jri n VAL 53 Ca 0.00 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 2jri n VAL 53 Cb 0.00 0.72 -0.02 0.00 -1.47 0.00 0.00 33.84 33.06 2jri n VAL 53 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jri s THR 54 N -2.79 3.71 0.24 3.34 2.01 -1.26 -4.89 115.64 116.00 2jri s THR 54 Ca 0.02 0.78 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 2jri s THR 54 Cb 0.12 -3.79 0.14 0.00 0.01 0.00 0.00 72.50 68.99 2jri s THR 54 CO 0.71 -0.38 1.78 0.77 -0.69 0.00 0.00 174.62 176.80 2jri h SER 55 N 11.03 0.96 -0.23 3.53 4.64 -1.99 -1.37 113.55 130.11 2jri h SER 55 Ca -0.32 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 60.69 2jri h SER 55 Cb 1.15 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 2jri h SER 55 CO 1.02 0.90 -0.29 -0.33 -0.87 0.00 0.00 176.83 177.26 2jri h GLU 56 N 0.98 0.73 0.00 4.77 4.39 -2.00 -2.30 114.58 121.16 2jri h GLU 56 Ca 0.21 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2jri h GLU 56 Cb 0.30 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2jri h GLU 56 CO -0.01 0.94 -0.40 0.22 -1.16 0.00 0.00 179.01 178.60 2jri h ASP 57 N 0.63 0.00 0.48 1.42 3.58 -1.89 0.33 116.42 120.96 2jri h ASP 57 Ca 0.07 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.43 2jri h ASP 57 Cb 0.81 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2jri h ASP 57 CO 0.07 0.40 -0.44 0.22 -2.88 0.00 0.00 179.24 176.61 2jri h TYR 58 N 0.00 0.00 0.08 0.28 5.03 -0.84 -2.26 116.97 119.25 2jri h TYR 58 Ca -0.00 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.12 2jri h TYR 58 Cb 0.79 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.07 2jri h TYR 58 CO 0.00 0.44 -0.94 -0.09 -1.32 0.00 0.00 178.16 176.25 2jri h ARG 59 N 0.00 0.17 -0.71 1.82 1.12 -0.79 -2.89 114.38 113.10 2jri h ARG 59 Ca -0.00 -0.29 0.01 0.00 -1.11 0.00 0.00 59.98 58.58 2jri h ARG 59 Cb 0.80 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.83 2jri h ARG 59 CO 0.06 1.14 0.46 1.79 -3.11 0.00 0.00 179.97 180.31 2jri h THR 60 N -0.58 1.19 0.00 0.20 1.35 -0.97 -0.54 112.91 113.56 2jri h THR 60 Ca -0.21 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 2jri h THR 60 Cb 1.50 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2jri h THR 60 CO 0.03 0.18 -0.23 0.33 -0.25 0.00 0.00 175.52 175.58 2jri n PHE 61 N -4.42 0.05 0.19 4.73 7.35 -0.85 -3.31 117.46 121.20 2jri n PHE 61 Ca 0.08 0.01 0.10 0.00 -0.76 0.00 0.00 57.45 56.88 2jri n PHE 61 Cb 0.04 -0.42 0.12 0.00 0.35 0.00 0.00 39.48 39.58 2jri n PHE 61 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 2jri h LEU 62 N 0.00 0.00 -2.89 -2.13 5.85 -0.87 -3.11 115.31 112.16 2jri h LEU 62 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jri h LEU 62 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2jri h LEU 62 CO 0.00 0.10 0.00 1.67 -0.34 0.00 0.00 178.44 179.87 2jri n GLN 63 N -3.07 2.94 -1.98 1.25 7.27 -1.05 -4.84 117.38 117.91 2jri n GLN 63 Ca 0.03 -2.45 -0.40 0.00 0.07 0.00 0.00 57.00 54.26 2jri n GLN 63 Cb 0.57 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.72 2jri n GLN 63 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jri s GLN 64 N -1.21 3.93 1.03 3.69 2.00 -1.18 -4.90 119.66 123.01 2jri s GLN 64 Ca 0.38 2.25 -0.13 0.00 -2.00 0.00 0.00 55.36 55.87 2jri s GLN 64 Cb 0.21 -2.76 0.16 0.00 0.80 0.00 0.00 33.01 31.42 2jri s GLN 64 CO 0.23 -0.56 0.78 -2.30 -0.50 0.00 0.00 175.29 172.94 2jri n PRO 65 N 0.11 -1.18 0.00 1.67 -0.02 -1.26 -3.24 135.00 131.08 2jri n PRO 65 Ca 0.04 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2jri n PRO 65 Cb 0.43 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 -3.44 0.00 -0.18 2.55 7.64 -1.26 -4.53 113.62 114.40 2jri n SER 66 Ca 0.07 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.86 2jri n SER 66 Cb 0.54 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.90 0.86 0.23 0.00 -1.80 -2.93 103.07 100.32 2jri h GLY 67 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2jri h GLY 67 CO 0.00 0.53 0.01 3.43 0.00 0.00 0.00 176.54 180.51 2jri h ASN 68 N 0.72 0.02 0.00 0.19 2.35 -1.79 -3.28 115.58 113.78 2jri h ASN 68 Ca 0.16 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2jri h ASN 68 Cb 0.36 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2jri h ASN 68 CO 0.00 0.16 0.00 0.80 -1.65 0.00 0.00 177.43 176.74 2jri n MET 69 N -5.01 0.00 0.00 0.81 1.56 -1.11 -4.28 117.12 109.10 2jri n MET 69 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 2jri n MET 69 Cb 0.10 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.47 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jri n ASP 70 N 0.00 0.00 0.09 6.12 2.03 -1.26 -4.26 116.55 119.27 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 -1.68 0.00 1.67 -0.08 -1.26 -4.21 116.55 110.98 2jri n ASP 71 Ca 0.00 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 2jri n ASP 71 Cb 0.00 1.79 0.00 0.00 2.34 0.00 0.00 41.12 45.25 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 -2.85 0.00 -0.11 1.67 7.64 -1.26 -4.94 113.62 113.76 2jri n SER 72 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2jri n SER 72 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 -0.72 2.42 0.23 0.00 -1.26 -4.83 105.19 106.04 2jri n GLY 73 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.35 -3.87 -3.70 1.61 3.72 -1.26 -2.81 117.46 110.79 2jri n PHE 74 Ca 0.04 -0.79 -0.11 0.00 -0.05 0.00 0.00 57.45 56.54 2jri n PHE 74 Cb 0.06 -0.62 -0.11 0.00 -0.94 0.00 0.00 39.48 37.87 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N -2.69 -0.54 0.73 1.38 0.08 -1.26 -4.77 117.98 110.90 2jri s PHE 75 Ca 0.46 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 58.57 2jri s PHE 75 Cb -0.01 0.21 0.03 0.00 -0.57 0.00 0.00 43.02 42.67 2jri s PHE 75 CO 0.32 -0.32 1.08 -1.12 -0.10 0.00 0.00 175.22 175.08 2jri s SER 76 N 1.47 4.90 0.63 1.36 0.01 -1.26 -4.92 113.70 115.88 2jri s SER 76 Ca -0.09 1.78 0.40 0.00 1.31 0.00 0.00 55.95 59.35 2jri s SER 76 Cb -0.09 -2.52 2.17 0.00 0.21 0.00 0.00 66.02 65.79 2jri s SER 76 CO -0.12 -1.77 2.30 -0.29 0.41 0.00 0.00 173.24 173.77 2jri h ILE 77 N -0.80 0.14 0.00 1.44 2.10 -1.97 -2.07 117.51 116.34 2jri h ILE 77 Ca -0.44 -0.08 0.00 0.00 1.08 0.00 0.00 64.86 65.42 2jri h ILE 77 Cb 1.23 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2jri h ILE 77 CO 0.54 0.01 0.00 1.56 -1.08 0.00 0.00 178.15 179.17 2jri h GLN 78 N 0.00 0.00 0.00 2.19 7.50 -1.93 -1.68 115.11 121.19 2jri h GLN 78 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2jri h GLN 78 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.60 2jri h GLN 78 CO 0.00 0.00 0.00 1.33 -1.50 0.00 0.00 178.83 178.66 2jri n VAL 79 N -2.99 0.00 -0.03 -0.54 0.24 -0.78 -2.87 118.33 111.36 2jri n VAL 79 Ca -0.02 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 2jri n VAL 79 Cb 0.13 -0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.36 2jri n VAL 79 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jri n ILE 80 N -0.60 0.79 -0.19 1.34 2.08 -0.63 -4.12 119.36 118.03 2jri n ILE 80 Ca 0.05 0.04 -0.05 0.00 0.56 0.00 0.00 62.75 63.34 2jri n ILE 80 Cb 0.02 -1.70 0.04 0.00 -0.75 0.00 0.00 39.64 37.26 2jri n ILE 80 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2jri h SER 81 N -0.32 0.53 1.17 4.38 0.02 -1.64 -2.24 113.55 115.45 2jri h SER 81 Ca -0.14 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 2jri h SER 81 Cb 0.88 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2jri h SER 81 CO -0.09 0.38 -0.62 -1.13 -1.14 0.00 0.00 176.83 174.23 2jri h ASN 82 N 0.65 0.00 -1.01 3.07 -1.24 -1.82 -3.04 115.58 112.20 2jri h ASN 82 Ca 0.22 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.28 2jri h ASN 82 Cb 0.02 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.01 2jri h ASN 82 CO -0.10 0.62 0.66 0.00 -1.29 0.00 0.00 177.43 177.32 2jri h ALA 83 N 1.38 1.37 0.06 1.57 0.00 -1.56 -0.27 119.26 121.81 2jri h ALA 83 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 2jri h ALA 83 Cb 1.37 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2jri h ALA 83 CO 0.08 0.50 -1.33 -0.07 0.00 0.00 0.00 179.25 178.43 2jri h LEU 84 N 1.22 0.19 -0.91 0.00 -0.00 -1.57 -3.34 115.31 110.91 2jri h LEU 84 Ca 0.42 -0.25 -0.04 0.00 -0.00 0.00 0.00 57.88 58.01 2jri h LEU 84 Cb 0.09 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 40.66 2jri h LEU 84 CO -0.15 1.20 0.29 0.50 -0.00 0.00 0.00 178.44 180.28 2jri h LYS 85 N 0.03 1.08 0.00 1.13 3.64 -1.26 0.55 116.57 121.74 2jri h LYS 85 Ca -0.15 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 2jri h LYS 85 Cb 1.92 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 33.56 2jri h LYS 85 CO 0.14 0.88 -0.09 -0.39 -2.27 0.00 0.00 179.45 177.72 2jri h VAL 86 N 1.06 0.34 0.00 2.00 -1.51 -1.18 -1.30 116.25 115.66 2jri h VAL 86 Ca 0.24 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 2jri h VAL 86 Cb 0.20 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2jri h VAL 86 CO -0.02 0.09 -0.47 0.79 -1.23 0.00 0.00 177.57 176.72 2jri n TRP 87 N -3.38 0.12 0.00 5.19 7.02 -0.86 -4.92 117.44 120.61 2jri n TRP 87 Ca -0.01 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 2jri n TRP 87 Cb 0.26 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 2jri n TRP 87 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jri n GLY 88 N 1.46 1.12 3.98 6.99 0.00 -0.49 -5.11 105.19 113.15 2jri n GLY 88 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 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 3.64 -0.03 0.99 2.01 0.13 -4.92 118.68 120.50 2jri s LEU 89 Ca 0.00 -0.46 0.03 0.00 0.01 0.00 0.00 54.13 53.71 2jri s LEU 89 Cb 0.00 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.65 2jri s LEU 89 CO 0.00 -0.70 -0.12 -0.70 1.01 0.00 0.00 176.35 175.84 2jri s GLU 90 N -4.29 1.25 -0.34 1.70 2.12 -0.94 -3.43 118.70 114.77 2jri s GLU 90 Ca 0.52 -0.41 -0.12 0.00 0.36 0.00 0.00 54.97 55.32 2jri s GLU 90 Cb -0.09 -1.13 -0.01 0.00 0.26 0.00 0.00 34.13 33.16 2jri s GLU 90 CO 0.32 0.16 0.22 -1.17 -0.54 0.00 0.00 175.26 174.25 2jri s LEU 91 N 0.14 4.48 -0.20 2.70 2.96 -1.26 0.13 118.68 127.63 2jri s LEU 91 Ca -0.03 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 2jri s LEU 91 Cb -0.10 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 2jri s LEU 91 CO 0.01 -0.25 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.15 2jri s ILE 92 N 1.69 3.89 -1.17 6.68 -1.09 0.10 -4.91 121.20 126.39 2jri s ILE 92 Ca 0.05 -0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 57.95 2jri s ILE 92 Cb -0.18 -2.76 0.08 0.00 -1.58 0.00 0.00 42.46 38.03 2jri s ILE 92 CO 0.09 0.43 1.57 -0.22 -1.23 0.00 0.00 174.94 175.58 2jri s LEU 93 N 1.01 3.93 0.54 2.97 2.96 -1.26 -0.30 118.68 128.53 2jri s LEU 93 Ca 0.02 -2.13 0.29 0.00 -0.22 0.00 0.00 54.13 52.09 2jri s LEU 93 Cb -0.14 -2.55 1.55 0.00 0.50 0.00 0.00 46.19 45.55 2jri s LEU 93 CO 0.01 -1.24 2.10 0.15 -1.32 0.00 0.00 176.35 176.06 2jri h PHE 94 N 8.40 0.00 -0.49 5.38 3.57 -1.19 -2.68 116.94 129.93 2jri h PHE 94 Ca 0.33 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2jri h PHE 94 Cb 0.93 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2jri h PHE 94 CO 1.33 0.09 0.27 -0.97 -2.23 0.00 0.00 178.31 176.80 2jri h ASN 95 N 0.00 0.60 -3.26 0.41 -1.24 -1.85 -3.13 115.58 107.11 2jri h ASN 95 Ca -0.00 -0.04 -0.53 0.00 0.71 0.00 0.00 56.30 56.44 2jri h ASN 95 Cb 0.29 -0.15 0.02 0.00 0.73 0.00 0.00 38.32 39.21 2jri h ASN 95 CO 0.01 0.49 0.62 -0.44 -1.29 0.00 0.00 177.43 176.82 2jri s SER 96 N -6.60 6.97 0.51 1.15 0.01 -1.01 -4.81 113.70 109.91 2jri s SER 96 Ca -0.09 2.24 0.33 0.00 1.31 0.00 0.00 55.95 59.74 2jri s SER 96 Cb 0.17 -2.59 1.46 0.00 0.21 0.00 0.00 66.02 65.26 2jri s SER 96 CO 0.76 -0.51 1.77 -0.65 0.41 0.00 0.00 173.24 175.02 2jri h PRO 97 N 6.10 0.09 -0.26 12.44 0.11 -1.88 0.23 132.00 148.82 2jri h PRO 97 Ca -0.43 -0.01 -0.05 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 0.80 0.06 -0.06 1.05 -0.21 0.00 0.00 178.00 179.64 2jri h GLU 98 N 0.09 0.40 -0.01 1.05 9.09 -1.91 -2.86 114.58 120.43 2jri h GLU 98 Ca 0.61 -0.09 0.00 0.00 0.05 0.00 0.00 59.36 59.93 2jri h GLU 98 Cb 2.20 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 29.24 2jri h GLU 98 CO -0.10 0.48 -0.39 0.66 0.05 0.00 0.00 179.01 179.72 2jri n TYR 99 N -4.27 0.00 1.68 2.06 4.01 0.50 -4.39 117.16 116.74 2jri n TYR 99 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.78 2jri n TYR 99 Cb 0.26 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.40 0.84 -0.69 -0.72 7.27 0.45 -3.06 117.38 121.07 2jri n GLN 100 Ca 0.05 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.18 2jri n GLN 100 Cb 0.30 -1.13 0.19 0.00 2.41 0.00 0.00 30.24 32.01 2jri n GLN 100 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jri n ARG 101 N -0.63 1.42 0.24 3.69 1.85 -1.25 -4.71 116.66 117.27 2jri n ARG 101 Ca 0.05 -3.17 0.14 0.00 -1.00 0.00 0.00 57.85 53.87 2jri n ARG 101 Cb 0.02 -1.45 0.36 0.00 -1.05 0.00 0.00 32.46 30.35 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 1.00 0.00 -2.04 2.89 8.10 -1.86 -3.47 115.31 119.92 2jri h LEU 102 Ca -0.02 0.00 -0.40 0.00 0.11 0.00 0.00 57.88 57.56 2jri h LEU 102 Cb 1.09 0.00 0.08 0.00 -0.44 0.00 0.00 40.66 41.39 2jri h LEU 102 CO 0.01 0.00 -0.85 0.54 -4.11 0.00 0.00 178.44 174.03 2jri n ARG 103 N -3.06 -4.19 -4.45 0.17 3.00 -1.26 -4.99 116.66 101.88 2jri n ARG 103 Ca 0.03 0.63 -0.28 0.00 -0.01 0.00 0.00 57.85 58.21 2jri n ARG 103 Cb 0.44 -5.11 -0.17 0.00 0.00 0.00 0.00 32.46 27.63 2jri n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jri s ILE 104 N -3.61 1.48 -0.09 0.55 1.01 -1.26 -5.09 121.20 114.18 2jri s ILE 104 Ca 0.11 -0.63 -0.35 0.00 0.00 0.00 0.00 60.65 59.78 2jri s ILE 104 Cb -0.03 -1.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.96 2jri s ILE 104 CO 0.81 0.44 1.84 -0.67 0.00 0.00 0.00 174.94 177.36 2jri n ASP 105 N 4.21 3.29 0.08 3.58 2.03 -1.26 -4.86 116.55 123.61 2jri n ASP 105 Ca -0.19 0.99 0.12 0.00 0.52 0.00 0.00 54.79 56.23 2jri n ASP 105 Cb 0.51 -1.35 0.46 0.00 -0.72 0.00 0.00 41.12 40.02 2jri n ASP 105 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2jri n PRO 106 N 6.26 0.16 0.06 -0.67 -0.04 -1.26 -3.26 135.00 136.26 2jri n PRO 106 Ca 0.23 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.82 2jri n PRO 106 Cb 0.27 -1.73 0.01 0.00 -0.04 0.00 0.00 33.50 32.01 2jri n PRO 106 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jri h ILE 107 N 0.00 1.41 -0.15 0.52 2.04 -1.94 -2.96 117.51 116.43 2jri h ILE 107 Ca 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2jri h ILE 107 Cb 0.53 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2jri h ILE 107 CO 0.00 0.68 0.00 -3.20 0.00 0.00 0.00 178.15 175.63 2jri n ASN 108 N -3.78 1.00 -2.40 1.72 5.15 -1.20 -4.87 115.26 110.89 2jri n ASN 108 Ca -0.05 -2.03 -0.05 0.00 -0.60 0.00 0.00 54.58 51.85 2jri n ASN 108 Cb 0.75 -0.17 0.04 0.00 -0.53 0.00 0.00 39.78 39.87 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 -0.02 -0.44 -0.00 1.20 -0.58 -1.12 -5.07 120.64 114.62 2jri n GLU 109 Ca 0.05 -0.35 -0.02 0.00 -0.42 0.00 0.00 57.16 56.42 2jri n GLU 109 Cb 0.18 -0.25 -0.01 0.00 -0.57 0.00 0.00 31.44 30.79 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 -1.60 0.05 -3.64 3.49 0.00 -1.26 -4.95 116.66 108.75 2jri n ARG 110 Ca 0.03 0.02 -0.05 0.00 -0.00 0.00 0.00 57.85 57.85 2jri n ARG 110 Cb 0.10 -0.59 -0.07 0.00 -0.00 0.00 0.00 32.46 31.91 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -5.40 -0.70 -0.04 2.89 0.01 -1.26 -2.49 113.70 106.70 2jri s SER 111 Ca -0.03 1.15 -0.06 0.00 1.31 0.00 0.00 55.95 58.32 2jri s SER 111 Cb 0.01 1.27 0.01 0.00 0.21 0.00 0.00 66.02 67.53 2jri s SER 111 CO 0.04 -0.18 0.15 0.72 0.41 0.00 0.00 173.24 174.38 2jri s PHE 112 N 1.33 -0.11 -0.07 2.43 -0.71 -0.87 -1.22 117.98 118.76 2jri s PHE 112 Ca -0.08 0.26 0.04 0.00 -1.04 0.00 0.00 56.93 56.11 2jri s PHE 112 Cb -0.04 0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.77 2jri s PHE 112 CO -0.16 -0.15 -0.17 0.42 -1.34 0.00 0.00 175.22 173.83 2jri s ILE 113 N -0.35 2.79 -0.11 -4.49 1.01 -0.14 -1.75 121.20 118.15 2jri s ILE 113 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2jri s ILE 113 Cb -0.03 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2jri s ILE 113 CO 0.01 0.57 -0.23 0.00 0.00 0.00 0.00 174.94 175.29 2jri s ASN 115 N 0.51 5.94 -0.38 0.00 2.20 -1.13 0.69 114.94 122.77 2jri s ASN 115 Ca -0.15 0.05 0.11 0.00 -0.94 0.00 0.00 52.86 51.93 2jri s ASN 115 Cb -0.17 -1.69 0.44 0.00 -2.00 0.00 0.00 41.25 37.83 2jri s ASN 115 CO 0.05 0.08 1.04 0.00 -2.94 0.00 0.00 177.10 175.34 2jri n TYR 116 N -0.27 2.32 0.00 1.54 9.36 0.15 -1.65 117.16 128.62 2jri n TYR 116 Ca -0.07 -2.92 0.00 0.00 3.32 0.00 0.00 57.90 58.22 2jri n TYR 116 Cb 0.54 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 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 -0.30 0.00 -0.06 2.98 3.00 -1.26 -3.81 118.16 118.72 2jri n LYS 117 Ca 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.47 2jri n LYS 117 Cb 0.74 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.73 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 0.27 -4.08 1.64 0.00 -1.26 -5.04 120.64 112.16 2jri n GLU 118 Ca 0.00 0.07 -0.25 0.00 0.00 0.00 0.00 57.16 56.98 2jri n GLU 118 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 31.44 30.24 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jri s HIS 119 N -2.22 3.16 0.04 4.31 3.76 -1.25 -5.12 115.29 117.97 2jri s HIS 119 Ca -0.15 -0.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.79 2jri s HIS 119 Cb 0.04 -1.49 -0.02 0.00 1.11 0.00 0.00 32.58 32.22 2jri s HIS 119 CO 0.24 0.52 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.89 2jri s TRP 120 N -1.84 1.55 -0.42 1.40 0.52 -1.26 0.34 118.94 119.22 2jri s TRP 120 Ca 0.32 -0.36 -0.09 0.00 0.02 0.00 0.00 56.10 55.98 2jri s TRP 120 Cb -0.10 -0.92 0.08 0.00 -1.15 0.00 0.00 33.47 31.38 2jri s TRP 120 CO 0.24 0.07 0.26 -0.06 0.02 0.00 0.00 176.95 177.48 2jri s PHE 121 N -0.83 3.34 -0.73 -1.98 0.08 0.22 -4.85 117.98 113.23 2jri s PHE 121 Ca 0.05 -1.52 -0.25 0.00 0.12 0.00 0.00 56.93 55.33 2jri s PHE 121 Cb -0.08 -2.96 0.05 0.00 -0.57 0.00 0.00 43.02 39.45 2jri s PHE 121 CO 0.02 -0.85 1.18 0.99 -0.10 0.00 0.00 175.22 176.47 2jri s THR 122 N 1.43 3.94 -0.75 0.64 2.01 -1.25 -1.84 115.64 119.81 2jri s THR 122 Ca 0.03 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.94 2jri s THR 122 Cb -0.23 -4.85 0.15 0.00 0.01 0.00 0.00 72.50 67.59 2jri s THR 122 CO 0.02 -1.73 0.80 -0.69 -0.69 0.00 0.00 174.62 172.33 2jri s VAL 123 N 5.12 5.13 -0.14 3.82 1.01 -0.72 -1.42 120.40 133.21 2jri s VAL 123 Ca 0.31 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 2jri s VAL 123 Cb -0.10 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 2jri s VAL 123 CO 0.12 -1.15 0.13 -0.60 0.00 0.00 0.00 175.10 173.60 2jri s ARG 124 N 1.66 3.60 0.10 2.72 6.06 -0.57 -2.06 118.95 130.47 2jri s ARG 124 Ca 0.18 -0.16 -0.30 0.00 -2.50 0.00 0.00 55.73 52.95 2jri s ARG 124 Cb -0.15 -3.23 -0.06 0.00 0.06 0.00 0.00 34.95 31.57 2jri s ARG 124 CO -0.03 0.67 1.09 0.21 -2.50 0.00 0.00 175.30 174.73 2jri s LYS 125 N -0.71 4.55 -0.09 5.12 2.20 -1.04 -1.19 119.74 128.59 2jri s LYS 125 Ca 0.13 1.64 -0.01 0.00 -0.36 0.00 0.00 55.97 57.37 2jri s LYS 125 Cb -0.12 -3.35 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2jri s LYS 125 CO 0.03 -0.03 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.80 2jri s LEU 126 N 0.39 0.75 0.00 5.43 2.96 0.35 -4.83 118.68 123.74 2jri s LEU 126 Ca 0.52 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2jri s LEU 126 Cb -0.27 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 45.88 2jri s LEU 126 CO 0.31 -0.18 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 2jri n GLY 127 N 5.10 1.08 0.00 7.98 0.00 -1.02 -0.37 105.19 117.95 2jri n GLY 127 Ca -0.08 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 0.52 -2.55 1.61 0.00 -1.24 -4.92 118.16 111.58 2jri n LYS 128 Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 58.31 57.87 2jri n LYS 128 Cb 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 35.03 34.29 2jri n LYS 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jri n GLN 129 N -0.16 0.83 -4.26 1.64 3.00 0.50 -4.92 117.38 114.01 2jri n GLN 129 Ca 0.00 -2.08 -0.18 0.00 -0.01 0.00 0.00 57.00 54.73 2jri n GLN 129 Cb 0.05 -0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.16 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 -1.48 1.08 -0.01 1.08 0.52 -1.02 -0.49 118.94 118.62 2jri s TRP 130 Ca 0.32 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 56.07 2jri s TRP 130 Cb -0.03 -0.64 0.01 0.00 -1.15 0.00 0.00 33.47 31.67 2jri s TRP 130 CO 0.20 0.02 -0.02 -0.06 0.02 0.00 0.00 176.95 177.11 2jri s PHE 131 N -0.94 0.25 -0.07 -1.98 0.40 -0.33 -1.46 117.98 113.85 2jri s PHE 131 Ca -0.01 -0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 2jri s PHE 131 Cb -0.08 -0.22 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 2jri s PHE 131 CO 0.01 -0.04 0.43 1.21 0.70 0.00 0.00 175.22 177.53 2jri s ASN 132 N 0.25 6.72 -0.16 1.36 2.47 -1.25 -1.51 114.94 122.82 2jri s ASN 132 Ca -0.02 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.11 2jri s ASN 132 Cb -0.05 -2.26 0.03 0.00 -1.45 0.00 0.00 41.25 37.53 2jri s ASN 132 CO -0.01 0.16 -0.10 -0.76 -3.72 0.00 0.00 177.10 172.67 2jri s LEU 133 N -0.16 1.78 0.16 3.21 1.43 -0.51 -3.91 118.68 120.69 2jri s LEU 133 Ca 0.24 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2jri s LEU 133 Cb -0.16 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.98 2jri s LEU 133 CO 0.11 -0.12 0.36 0.21 0.23 0.00 0.00 176.35 177.14 2jri s ASN 134 N 1.52 -0.07 0.48 2.29 2.47 -1.26 -3.90 114.94 116.47 2jri s ASN 134 Ca 0.02 -0.68 0.30 0.00 0.42 0.00 0.00 52.86 52.92 2jri s ASN 134 Cb -0.14 0.48 1.11 0.00 -1.45 0.00 0.00 41.25 41.24 2jri s ASN 134 CO -0.09 -0.93 1.87 0.28 -3.72 0.00 0.00 177.10 174.51 2jri h SER 135 N 2.44 0.00 0.00 -4.21 0.02 -1.94 -3.35 113.55 106.51 2jri h SER 135 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2jri h SER 135 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2jri h SER 135 CO 0.45 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 176.03 2jri n LEU 136 N -2.94 1.05 -4.74 5.07 7.94 -1.26 -4.75 117.00 117.36 2jri n LEU 136 Ca 0.02 0.37 -0.42 0.00 -1.11 0.00 0.00 56.01 54.87 2jri n LEU 136 Cb 0.34 -0.08 -0.02 0.00 0.53 0.00 0.00 43.42 44.19 2jri n LEU 136 CO 0.27 -0.08 1.21 -1.48 -1.11 0.00 0.00 177.39 176.20 2jri s LEU 137 N -1.48 4.36 0.22 -1.96 2.34 -1.26 -4.91 118.68 116.00 2jri s LEU 137 Ca 0.00 2.80 0.23 0.00 0.06 0.00 0.00 54.13 57.21 2jri s LEU 137 Cb 0.00 -3.62 0.03 0.00 -0.56 0.00 0.00 46.19 42.04 2jri s LEU 137 CO 0.00 -0.83 1.09 0.00 -1.06 0.00 0.00 176.35 175.55 2jri h THR 138 N 3.56 0.00 -3.20 5.48 1.03 -1.85 -3.41 112.91 114.52 2jri h THR 138 Ca -0.46 -0.99 -0.67 0.00 -0.01 0.00 0.00 66.41 64.29 2jri h THR 138 Cb 1.22 1.53 -0.33 0.00 -1.07 0.00 0.00 68.15 69.49 2jri h THR 138 CO 0.82 0.00 -0.84 -0.83 -0.01 0.00 0.00 175.52 174.66 2jri s GLY 139 N -4.34 1.42 0.16 2.99 0.00 -1.26 -5.09 107.32 101.20 2jri s GLY 139 Ca 0.00 -1.12 -0.33 0.00 0.00 0.00 0.00 44.72 43.27 2jri s GLY 139 CO 0.78 0.10 1.63 -1.05 0.00 0.00 0.00 173.10 174.56 2jri n PRO 140 N 4.26 2.33 -2.35 2.90 -0.02 -1.26 -4.92 135.00 135.93 2jri n PRO 140 Ca -0.20 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2jri n PRO 140 Cb 0.51 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2jri n PRO 140 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jri s GLU 141 N 1.16 4.30 -0.99 -0.52 2.02 -1.25 -4.88 118.70 118.54 2jri s GLU 141 Ca 0.79 1.79 -0.24 0.00 0.02 0.00 0.00 54.97 57.33 2jri s GLU 141 Cb -0.63 -3.63 -0.03 0.00 0.10 0.00 0.00 34.13 29.94 2jri s GLU 141 CO 0.37 -0.56 1.85 -1.17 0.02 0.00 0.00 175.26 175.77 2jri s LEU 142 N 2.64 3.23 -0.54 1.80 2.96 -1.26 -3.84 118.68 123.66 2jri s LEU 142 Ca 0.59 -1.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.19 2jri s LEU 142 Cb -0.27 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 43.89 2jri s LEU 142 CO 0.22 -2.52 1.01 -0.63 -1.32 0.00 0.00 176.35 173.11 2jri s ILE 143 N 9.12 4.30 0.77 6.68 1.01 -0.53 -5.02 121.20 137.53 2jri s ILE 143 Ca 0.65 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.76 2jri s ILE 143 Cb -0.04 -4.57 0.09 0.00 0.01 0.00 0.00 42.46 37.94 2jri s ILE 143 CO 0.00 -1.13 1.10 -0.94 0.00 0.00 0.00 174.94 173.97 2jri s SER 144 N 2.77 4.48 0.20 3.58 1.04 -1.26 -2.43 113.70 122.08 2jri s SER 144 Ca 0.35 0.46 -0.11 0.00 0.48 0.00 0.00 55.95 57.14 2jri s SER 144 Cb -0.11 -0.97 0.17 0.00 0.10 0.00 0.00 66.02 65.21 2jri s SER 144 CO 0.22 -1.84 1.85 0.44 0.98 0.00 0.00 173.24 174.89 2jri h ASP 145 N -0.85 0.73 0.02 7.02 5.19 -1.96 0.21 116.42 126.78 2jri h ASP 145 Ca -0.44 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 55.78 2jri h ASP 145 Cb 1.31 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 2jri h ASP 145 CO 0.58 0.51 -0.63 0.74 -3.12 0.00 0.00 179.24 177.32 2jri h THR 146 N 0.87 1.32 -0.26 0.35 2.02 -2.01 -3.11 112.91 112.08 2jri h THR 146 Ca 0.27 -1.90 -0.09 0.00 0.77 0.00 0.00 66.41 65.46 2jri h THR 146 Cb -0.02 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2jri h THR 146 CO -0.09 0.59 -0.17 0.22 0.37 0.00 0.00 175.52 176.44 2jri h TYR 147 N 0.44 0.67 -0.56 3.16 3.20 -1.81 -3.12 116.97 118.95 2jri h TYR 147 Ca -0.01 -0.18 0.08 0.00 3.14 0.00 0.00 58.73 61.76 2jri h TYR 147 Cb 1.20 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.26 2jri h TYR 147 CO 0.05 0.85 0.20 1.25 -1.64 0.00 0.00 178.16 178.88 2jri h LEU 148 N 0.30 0.20 -0.80 2.82 5.85 -0.63 0.50 115.31 123.55 2jri h LEU 148 Ca 0.05 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2jri h LEU 148 Cb 0.70 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 2jri h LEU 148 CO 0.05 0.13 0.49 0.00 -0.34 0.00 0.00 178.44 178.77 2jri h ALA 149 N 1.38 1.09 -0.18 1.25 0.00 -1.54 0.11 119.26 121.38 2jri h ALA 149 Ca 0.28 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2jri h ALA 149 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jri h ALA 149 CO -0.28 0.22 -0.48 1.25 0.00 0.00 0.00 179.25 179.96 2jri h LEU 150 N 0.90 0.73 -0.52 0.00 5.85 -1.26 -3.14 115.31 117.85 2jri h LEU 150 Ca 0.35 -0.58 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2jri h LEU 150 Cb 0.16 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2jri h LEU 150 CO -0.17 1.18 0.23 0.15 -0.34 0.00 0.00 178.44 179.49 2jri h PHE 151 N 0.31 0.42 -0.56 1.25 3.57 0.62 0.48 116.94 123.03 2jri h PHE 151 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2jri h PHE 151 Cb 1.09 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 2jri h PHE 151 CO 0.09 0.18 0.24 -0.07 -2.23 0.00 0.00 178.31 176.52 2jri h LEU 152 N 0.45 0.29 -0.47 0.59 -0.00 -0.83 0.13 115.31 115.47 2jri h LEU 152 Ca 0.24 0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 58.06 2jri h LEU 152 Cb 0.20 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2jri h LEU 152 CO -0.20 0.19 -0.18 0.00 -0.00 0.00 0.00 178.44 178.25 2jri h ALA 153 N 1.35 0.66 -0.85 1.53 0.00 -1.34 -2.94 119.26 117.68 2jri h ALA 153 Ca 0.27 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jri h ALA 153 Cb 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jri h ALA 153 CO -0.24 0.62 0.56 1.96 0.00 0.00 0.00 179.25 182.15 2jri h GLN 154 N 0.81 1.13 -0.68 0.00 1.08 -0.13 -0.91 115.11 116.41 2jri h GLN 154 Ca 0.11 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2jri h GLN 154 Cb 0.75 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2jri h GLN 154 CO 0.06 0.75 0.40 -0.07 -0.95 0.00 0.00 178.83 179.02 2jri h LEU 155 N 1.16 0.82 -0.41 1.46 3.38 -0.90 0.74 115.31 121.57 2jri h LEU 155 Ca 0.31 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2jri h LEU 155 Cb -0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2jri h LEU 155 CO -0.07 0.65 -0.05 1.56 0.09 0.00 0.00 178.44 180.63 2jri h GLN 156 N 0.92 0.75 -0.29 1.13 4.20 -1.26 0.60 115.11 121.15 2jri h GLN 156 Ca 0.24 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2jri h GLN 156 Cb -0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jri h GLN 156 CO -0.04 0.86 0.02 1.96 -0.67 0.00 0.00 178.83 180.96 2jri h GLN 157 N 0.57 0.50 -0.42 1.46 4.20 -0.88 -3.14 115.11 117.41 2jri h GLN 157 Ca 0.11 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2jri h GLN 157 Cb 0.55 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2jri h GLN 157 CO 0.03 0.63 0.13 1.49 -0.67 0.00 0.00 178.83 180.44 2jri h GLU 158 N 0.31 0.65 0.00 1.46 4.57 -0.84 -3.47 114.58 117.25 2jri h GLU 158 Ca 0.09 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2jri h GLU 158 Cb 0.39 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2jri h GLU 158 CO 0.01 0.64 0.00 0.41 -1.18 0.00 0.00 179.01 178.89 2jri n GLY 159 N -0.66 0.89 0.00 1.92 0.00 -0.60 -5.10 105.19 101.63 2jri n GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.77 -3.25 1.61 4.02 0.10 -4.78 117.16 114.09 2jri n TYR 160 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 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 0.57 -0.38 7.72 0.01 -0.66 -4.89 113.70 115.07 2jri s SER 161 Ca 0.00 -1.86 -0.28 0.00 1.31 0.00 0.00 55.95 55.13 2jri s SER 161 Cb 0.00 0.69 -0.02 0.00 0.21 0.00 0.00 66.02 66.90 2jri s SER 161 CO 0.00 -0.20 1.85 -0.63 0.41 0.00 0.00 173.24 174.67 2jri s ILE 162 N 1.08 3.42 -0.47 1.44 1.01 -1.26 -2.82 121.20 123.60 2jri s ILE 162 Ca 0.22 0.40 -0.10 0.00 0.00 0.00 0.00 60.65 61.18 2jri s ILE 162 Cb -0.08 -3.65 0.11 0.00 0.01 0.00 0.00 42.46 38.85 2jri s ILE 162 CO -0.06 -0.47 0.34 -0.36 0.00 0.00 0.00 174.94 174.39 2jri s PHE 163 N 7.54 3.40 -0.08 3.97 0.08 0.83 -0.69 117.98 133.03 2jri s PHE 163 Ca 0.79 -1.77 -0.18 0.00 0.12 0.00 0.00 56.93 55.89 2jri s PHE 163 Cb -0.21 -3.43 -0.05 0.00 -0.57 0.00 0.00 43.02 38.77 2jri s PHE 163 CO 0.31 -0.97 0.48 0.54 -0.10 0.00 0.00 175.22 175.48 2jri s VAL 164 N 1.39 5.11 -0.34 -0.44 0.11 0.59 -0.96 120.40 125.86 2jri s VAL 164 Ca 0.05 0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 59.89 2jri s VAL 164 Cb -0.26 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 2jri s VAL 164 CO 0.00 0.39 0.55 -0.69 -3.33 0.00 0.00 175.10 172.02 2jri s VAL 165 N 0.16 4.99 0.08 2.04 1.01 -0.36 0.03 120.40 128.35 2jri s VAL 165 Ca 0.26 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.62 2jri s VAL 165 Cb -0.16 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2jri s VAL 165 CO 0.12 -0.20 0.44 -0.54 0.00 0.00 0.00 175.10 174.92 2jri s LYS 166 N 2.48 3.83 0.00 2.72 -0.14 0.12 -4.36 119.74 124.39 2jri s LYS 166 Ca 0.21 0.28 0.00 0.00 -1.36 0.00 0.00 55.97 55.10 2jri s LYS 166 Cb -0.15 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 2jri s LYS 166 CO 0.13 0.56 0.00 0.41 -0.76 0.00 0.00 175.35 175.69 2jri n GLY 167 N 1.00 0.16 3.49 -3.33 0.00 -1.26 -2.22 105.19 103.03 2jri n GLY 167 Ca -0.08 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.27 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 5.64 0.13 1.61 1.11 -1.26 -4.90 116.67 115.00 2jri s ASP 168 Ca 0.00 -0.33 0.04 0.00 0.18 0.00 0.00 52.55 52.43 2jri s ASP 168 Cb 0.00 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.92 2jri s ASP 168 CO 0.00 -0.14 0.15 -0.76 1.18 0.00 0.00 175.17 175.61 2jri s LEU 169 N 1.66 3.95 0.34 1.23 1.02 -1.26 -4.97 118.68 120.65 2jri s LEU 169 Ca 0.06 -0.01 -0.28 0.00 0.02 0.00 0.00 54.13 53.91 2jri s LEU 169 Cb -0.16 -2.57 -0.12 0.00 0.02 0.00 0.00 46.19 43.35 2jri s LEU 169 CO 0.07 0.10 1.37 -0.81 0.02 0.00 0.00 176.35 177.10 2jri n PRO 170 N -0.11 2.29 -3.22 1.29 -0.04 -1.26 -5.01 135.00 128.93 2jri n PRO 170 Ca -0.08 0.80 -0.20 0.00 -0.04 0.00 0.00 63.50 63.99 2jri n PRO 170 Cb 0.53 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2jri n PRO 170 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2jri s ASP 171 N -0.17 5.84 0.24 3.54 -4.77 -1.26 -4.80 116.67 115.29 2jri s ASP 171 Ca 0.56 -0.09 0.01 0.00 -3.30 0.00 0.00 52.55 49.73 2jri s ASP 171 Cb -0.55 -1.19 -0.04 0.00 -1.09 0.00 0.00 42.92 40.05 2jri s ASP 171 CO 0.61 -0.60 0.15 0.00 0.70 0.00 0.00 175.17 176.02 2jri h GLU 173 N 2.47 0.66 0.00 0.00 4.57 -1.94 -0.43 114.58 119.91 2jri h GLU 173 Ca -0.35 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2jri h GLU 173 Cb 1.25 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2jri h GLU 173 CO 0.52 0.44 0.00 0.00 -1.18 0.00 0.00 179.01 178.79 2jri h ALA 174 N 1.64 1.00 0.14 2.92 0.00 -1.94 -0.18 119.26 122.84 2jri h ALA 174 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.85 2jri h ALA 174 Cb 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jri h ALA 174 CO -0.08 0.00 -1.73 0.22 0.00 0.00 0.00 179.25 177.65 2jri h ASP 175 N 0.00 0.48 0.51 0.00 3.58 -1.39 -2.93 116.42 116.67 2jri h ASP 175 Ca 0.00 -0.77 -0.18 0.00 0.42 0.00 0.00 57.03 56.50 2jri h ASP 175 Cb 0.09 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2jri h ASP 175 CO 0.00 1.66 -0.80 1.56 -2.88 0.00 0.00 179.24 178.77 2jri h GLN 176 N 0.08 0.22 0.00 0.28 4.20 -1.20 -2.70 115.11 115.99 2jri h GLN 176 Ca -0.33 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 2jri h GLN 176 Cb 2.06 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.89 2jri h GLN 176 CO 0.15 0.91 -0.72 1.37 -0.67 0.00 0.00 178.83 179.87 2jri h LEU 177 N 0.13 0.00 -2.27 1.46 8.10 -1.21 -3.33 115.31 118.19 2jri h LEU 177 Ca -0.03 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.86 2jri h LEU 177 Cb 1.40 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 41.56 2jri h LEU 177 CO 0.12 0.03 0.12 -0.11 -4.11 0.00 0.00 178.44 174.50 2jri n LEU 178 N -2.82 3.48 0.06 0.17 -0.00 -1.10 -3.70 117.00 113.09 2jri n LEU 178 Ca 0.01 -1.79 0.12 0.00 -0.00 0.00 0.00 56.01 54.35 2jri n LEU 178 Cb 0.56 -0.57 0.05 0.00 -0.00 0.00 0.00 43.42 43.46 2jri n LEU 178 CO 0.38 0.56 0.08 0.00 -0.00 0.00 0.00 177.39 178.41 2jri n GLN 179 N 0.13 0.41 -3.07 1.96 1.13 -1.25 -3.70 117.38 112.99 2jri n GLN 179 Ca 0.12 0.05 -0.16 0.00 -1.94 0.00 0.00 57.00 55.08 2jri n GLN 179 Cb 0.70 -1.69 -0.01 0.00 0.11 0.00 0.00 30.24 29.35 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 -2.25 1.01 -5.09 -1.09 0.00 -1.24 -4.94 117.12 103.52 2jri n MET 180 Ca 0.01 -3.33 -0.31 0.00 0.00 0.00 0.00 57.70 54.07 2jri n MET 180 Cb 0.48 -1.59 -0.17 0.00 0.00 0.00 0.00 33.22 31.94 2jri n MET 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jri s ILE 181 N -2.54 1.97 0.00 3.17 -1.09 -1.26 -5.12 121.20 116.33 2jri s ILE 181 Ca 0.37 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 2jri s ILE 181 Cb 0.37 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 2jri s ILE 181 CO -0.05 0.54 0.00 -1.14 -1.23 0.00 0.00 174.94 173.06