#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 -2.97 2.12 4.71 -1.26 -4.96 120.64 118.28 2jri n GLU 2 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 57.16 56.71 2jri n GLU 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 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 -0.03 6.83 -0.16 1.62 0.01 -1.26 -4.98 113.70 115.73 2jri s SER 3 Ca 0.00 -2.49 -0.02 0.00 1.31 0.00 0.00 55.95 54.75 2jri s SER 3 Cb 0.00 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2jri s SER 3 CO 0.00 -0.89 -0.09 -0.63 0.41 0.00 0.00 173.24 172.04 2jri s ILE 4 N 2.00 3.35 -0.85 1.44 1.01 -1.26 -5.05 121.20 121.84 2jri s ILE 4 Ca 0.36 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 2jri s ILE 4 Cb -0.04 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2jri s ILE 4 CO -0.06 0.49 1.59 -0.36 0.00 0.00 0.00 174.94 176.61 2jri s PHE 5 N 0.59 2.15 -0.57 3.97 0.40 -1.26 -4.83 117.98 118.43 2jri s PHE 5 Ca -0.05 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 2jri s PHE 5 Cb -0.15 -4.43 0.34 0.00 0.51 0.00 0.00 43.02 39.29 2jri s PHE 5 CO 0.03 -1.99 0.94 1.58 0.70 0.00 0.00 175.22 176.47 2jri n HIS 6 N 10.84 3.91 -1.69 0.36 -0.00 -1.26 -4.45 115.22 122.93 2jri n HIS 6 Ca 0.25 -4.00 -0.52 0.00 0.46 0.00 0.00 57.72 53.91 2jri n HIS 6 Cb 0.50 -0.49 -0.06 0.00 -0.12 0.00 0.00 29.99 29.82 2jri n HIS 6 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2jri n GLU 7 N -0.21 1.72 -3.60 1.57 -0.58 -1.26 -4.94 120.64 113.34 2jri n GLU 7 Ca 0.31 0.63 -0.36 0.00 -0.42 0.00 0.00 57.16 57.31 2jri n GLU 7 Cb 0.40 -2.40 -0.07 0.00 -0.57 0.00 0.00 31.44 28.80 2jri n GLU 7 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jri s LYS 8 N 3.71 4.13 0.08 3.49 2.47 -1.26 -4.88 119.74 127.48 2jri s LYS 8 Ca 0.95 0.05 -0.11 0.00 -1.56 0.00 0.00 55.97 55.30 2jri s LYS 8 Cb -0.86 -3.38 0.01 0.00 -1.46 0.00 0.00 37.83 32.14 2jri s LYS 8 CO 0.57 0.34 0.25 1.14 0.16 0.00 0.00 175.35 177.82 2jri s GLN 9 N 0.16 0.86 -0.08 4.03 0.00 -1.26 -5.15 119.66 118.23 2jri s GLN 9 Ca 0.16 -0.78 -0.17 0.00 -0.00 0.00 0.00 55.36 54.57 2jri s GLN 9 Cb -0.13 0.36 0.04 0.00 0.00 0.00 0.00 33.01 33.28 2jri s GLN 9 CO 0.04 -0.29 0.40 -1.21 0.00 0.00 0.00 175.29 174.24 2jri s GLU 10 N -3.44 0.65 -0.07 9.60 2.02 -1.26 -5.03 118.70 121.17 2jri s GLU 10 Ca 0.01 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 2jri s GLU 10 Cb 0.02 0.30 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2jri s GLU 10 CO -0.09 -0.15 0.09 0.41 0.02 0.00 0.00 175.26 175.54 2jri n GLY 11 N 1.87 -0.71 1.35 -1.39 0.00 -1.26 -4.96 105.19 100.09 2jri n GLY 11 Ca -0.18 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.60 -4.86 -3.37 1.61 7.64 -1.26 -4.92 113.62 107.85 2jri n SER 12 Ca 0.01 0.83 -0.24 0.00 1.01 0.00 0.00 58.87 60.48 2jri n SER 12 Cb 0.16 -2.33 0.03 0.00 -1.01 0.00 0.00 64.21 61.06 2jri n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jri n LEU 13 N 0.00 -2.48 0.00 -3.43 7.99 -0.32 -4.85 117.00 113.91 2jri n LEU 13 Ca 0.01 -0.45 0.11 0.00 -0.01 0.00 0.00 56.01 55.66 2jri n LEU 13 Cb 0.35 -2.69 0.50 0.00 -0.11 0.00 0.00 43.42 41.47 2jri n LEU 13 CO 0.01 0.32 0.85 0.00 -1.51 0.00 0.00 177.39 177.06 2jri h ALA 15 N 2.85 1.71 0.00 0.00 0.00 -1.95 -0.46 119.26 121.41 2jri h ALA 15 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jri h ALA 15 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jri h ALA 15 CO 0.00 0.22 0.00 0.94 0.00 0.00 0.00 179.25 180.41 2jri n GLN 16 N -4.33 0.37 -0.13 0.00 0.00 -1.14 -2.95 117.38 109.20 2jri n GLN 16 Ca -0.02 0.07 -0.27 0.00 -0.00 0.00 0.00 57.00 56.77 2jri n GLN 16 Cb 0.24 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.87 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2jri n HIS 17 N -1.24 0.13 0.31 3.69 -0.00 -0.20 -3.53 115.22 114.39 2jri n HIS 17 Ca 0.11 0.05 0.20 0.00 0.46 0.00 0.00 57.72 58.54 2jri n HIS 17 Cb 0.15 -1.01 0.94 0.00 -0.12 0.00 0.00 29.99 29.95 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri n LEU 19 N -3.12 0.42 0.11 0.00 4.77 -1.15 -3.94 117.00 114.09 2jri n LEU 19 Ca -0.01 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2jri n LEU 19 Cb 0.19 -0.57 0.61 0.00 -2.33 0.00 0.00 43.42 41.32 2jri n LEU 19 CO 0.24 -0.48 1.13 0.78 -1.33 0.00 0.00 177.39 177.73 2jri h ASN 20 N -0.23 0.10 0.68 -1.43 2.35 -1.66 0.80 115.58 116.18 2jri h ASN 20 Ca 0.00 -0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.52 2jri h ASN 20 Cb 0.16 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2jri h ASN 20 CO 0.00 0.06 -1.06 0.78 -1.65 0.00 0.00 177.43 175.56 2jri h ASN 21 N 0.11 0.29 0.14 5.81 -0.26 -1.61 -1.65 115.58 118.40 2jri h ASN 21 Ca 0.12 -0.28 -0.24 0.00 -0.56 0.00 0.00 56.30 55.35 2jri h ASN 21 Cb 0.36 -0.09 0.03 0.00 -1.06 0.00 0.00 38.32 37.55 2jri h ASN 21 CO -0.01 1.17 -1.01 0.25 -1.06 0.00 0.00 177.43 176.76 2jri h LEU 22 N 0.08 0.65 -0.16 1.61 7.12 -1.46 -3.24 115.31 119.91 2jri h LEU 22 Ca -0.08 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.05 2jri h LEU 22 Cb 1.76 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.68 2jri h LEU 22 CO 0.16 1.48 0.00 0.18 -0.13 0.00 0.00 178.44 180.14 2jri n LEU 23 N -3.98 0.64 -3.30 2.25 4.77 0.19 -4.89 117.00 112.68 2jri n LEU 23 Ca -0.14 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.24 2jri n LEU 23 Cb 0.89 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2jri n LEU 23 CO 0.53 -0.25 0.16 0.00 -1.33 0.00 0.00 177.39 176.51 2jri n GLN 24 N -2.13 -6.73 0.00 3.23 6.02 -0.74 -4.88 117.38 112.16 2jri n GLN 24 Ca 0.05 0.77 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 2jri n GLN 24 Cb 0.36 -5.61 0.00 0.00 1.02 0.00 0.00 30.24 26.01 2jri n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jri n GLY 25 N -1.50 1.95 3.60 1.08 0.00 -0.70 -4.89 105.19 104.73 2jri n GLY 25 Ca -0.13 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2jri n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jri s GLU 26 N -1.72 3.67 -0.01 1.61 8.01 -1.26 -4.39 118.70 124.60 2jri s GLU 26 Ca 0.00 0.79 0.01 0.00 0.01 0.00 0.00 54.97 55.78 2jri s GLU 26 Cb 0.00 -3.96 0.01 0.00 -4.31 0.00 0.00 34.13 25.87 2jri s GLU 26 CO 0.00 -1.45 0.71 0.66 0.01 0.00 0.00 175.26 175.19 2jri n TYR 27 N 8.29 0.00 -3.32 1.61 4.01 -1.26 -4.98 117.16 121.51 2jri n TYR 27 Ca 0.14 -0.11 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 2jri n TYR 27 Cb 0.48 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.42 2jri n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jri s PHE 28 N -0.26 -0.53 0.64 -0.72 0.08 -1.26 -5.06 117.98 110.87 2jri s PHE 28 Ca 0.02 -0.69 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 2jri s PHE 28 Cb 0.01 -0.28 -0.02 0.00 -0.57 0.00 0.00 43.02 42.17 2jri s PHE 28 CO 0.00 -1.01 1.03 -1.12 -0.10 0.00 0.00 175.22 174.03 2jri s SER 29 N 1.44 5.88 0.26 1.36 0.01 -1.26 -4.80 113.70 116.59 2jri s SER 29 Ca 0.18 1.23 -0.01 0.00 1.31 0.00 0.00 55.95 58.65 2jri s SER 29 Cb -0.13 -2.20 0.57 0.00 0.21 0.00 0.00 66.02 64.48 2jri s SER 29 CO -0.03 -1.05 1.68 -0.65 0.41 0.00 0.00 173.24 173.60 2jri h PRO 30 N -0.41 0.30 -0.51 12.44 0.11 -2.01 0.12 132.00 142.03 2jri h PRO 30 Ca -0.45 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 2jri h PRO 30 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2jri h PRO 30 CO 0.63 0.20 0.04 -0.24 -0.21 0.00 0.00 178.00 178.41 2jri h VAL 31 N 0.31 1.24 -0.46 3.15 3.04 -1.99 -1.21 116.25 120.33 2jri h VAL 31 Ca 0.48 -0.97 -0.11 0.00 -1.01 0.00 0.00 66.70 65.09 2jri h VAL 31 Cb 0.86 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2jri h VAL 31 CO -0.54 0.35 -0.15 -0.33 -1.01 0.00 0.00 177.57 175.89 2jri h GLU 32 N 0.79 0.92 -0.20 4.17 5.08 -1.29 -0.16 114.58 123.89 2jri h GLU 32 Ca 0.16 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2jri h GLU 32 Cb 0.41 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jri h GLU 32 CO 0.01 1.03 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.96 2jri h LEU 33 N 0.76 0.27 -0.26 1.33 3.38 -0.55 -0.30 115.31 119.94 2jri h LEU 33 Ca 0.11 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.86 2jri h LEU 33 Cb 0.71 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2jri h LEU 33 CO 0.05 0.34 -0.88 0.28 0.09 0.00 0.00 178.44 178.33 2jri h SER 34 N 0.29 0.04 -0.08 -0.43 0.02 -0.75 -2.45 113.55 110.18 2jri h SER 34 Ca 0.07 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2jri h SER 34 Cb 0.23 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jri h SER 34 CO 0.01 0.89 -0.15 -1.28 -1.14 0.00 0.00 176.83 175.16 2jri h SER 35 N 0.01 0.28 0.50 3.07 0.87 -0.02 -2.40 113.55 115.86 2jri h SER 35 Ca -0.02 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 59.92 2jri h SER 35 Cb 1.54 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2jri h SER 35 CO 0.12 0.77 -0.37 0.16 -0.53 0.00 0.00 176.83 176.98 2jri h ILE 36 N -0.21 1.11 -0.35 2.23 3.07 -1.16 -2.40 117.51 119.79 2jri h ILE 36 Ca 0.00 -1.33 -0.11 0.00 1.55 0.00 0.00 64.86 64.97 2jri h ILE 36 Cb 0.72 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 2jri h ILE 36 CO 0.03 0.36 -0.23 0.00 -1.05 0.00 0.00 178.15 177.27 2jri h ALA 37 N 1.63 0.50 0.00 0.16 0.00 -1.40 -2.85 119.26 117.30 2jri h ALA 37 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2jri h ALA 37 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2jri h ALA 37 CO 0.05 0.47 0.00 1.58 0.00 0.00 0.00 179.25 181.35 2jri n HIS 38 N -4.26 0.06 0.21 0.00 -0.00 -0.91 -2.68 115.22 107.64 2jri n HIS 38 Ca -0.02 0.02 0.06 0.00 0.46 0.00 0.00 57.72 58.23 2jri n HIS 38 Cb 0.44 -0.53 0.45 0.00 -0.12 0.00 0.00 29.99 30.24 2jri n HIS 38 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2jri h GLN 39 N 0.00 0.00 -0.09 1.57 -0.00 -1.18 -1.74 115.11 113.67 2jri h GLN 39 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 2jri h GLN 39 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.92 2jri h GLN 39 CO 0.00 0.29 -0.42 -0.07 0.00 0.00 0.00 178.83 178.63 2jri h LEU 40 N 0.00 0.21 -0.62 -2.39 -0.00 -1.61 -2.46 115.31 108.44 2jri h LEU 40 Ca -0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2jri h LEU 40 Cb 0.59 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 2jri h LEU 40 CO 0.04 0.61 0.38 -0.78 -0.00 0.00 0.00 178.44 178.70 2jri h ASP 41 N 0.17 0.73 -0.50 -0.43 3.58 -1.42 0.27 116.42 118.82 2jri h ASP 41 Ca 0.01 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2jri h ASP 41 Cb 0.82 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.66 2jri h ASP 41 CO 0.06 0.56 0.23 -0.08 -2.88 0.00 0.00 179.24 177.14 2jri h GLU 42 N 0.84 0.72 -0.52 0.28 4.57 -1.38 0.37 114.58 119.45 2jri h GLU 42 Ca 0.22 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2jri h GLU 42 Cb -0.05 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2jri h GLU 42 CO -0.04 0.61 0.25 1.49 -1.18 0.00 0.00 179.01 180.14 2jri h GLU 43 N 0.66 0.75 -0.52 1.92 4.81 -0.96 -0.53 114.58 120.71 2jri h GLU 43 Ca 0.17 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.18 2jri h GLU 43 Cb 0.13 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2jri h GLU 43 CO -0.02 0.62 -0.12 0.93 -0.73 0.00 0.00 179.01 179.70 2jri h GLU 44 N 0.69 0.99 -0.59 1.92 4.39 -0.17 -1.70 114.58 120.10 2jri h GLU 44 Ca 0.18 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2jri h GLU 44 Cb 0.12 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2jri h GLU 44 CO -0.02 1.04 0.38 -0.09 -1.16 0.00 0.00 179.01 179.15 2jri h ARG 45 N 0.88 0.79 -0.66 2.33 2.43 0.10 0.28 114.38 120.53 2jri h ARG 45 Ca 0.14 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2jri h ARG 45 Cb 0.67 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 2jri h ARG 45 CO 0.05 0.55 0.21 0.52 -1.51 0.00 0.00 179.97 179.78 2jri h MET 46 N 0.80 1.03 0.00 0.20 2.86 -0.92 -2.06 114.93 116.84 2jri h MET 46 Ca 0.21 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2jri h MET 46 Cb -0.06 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2jri h MET 46 CO -0.04 0.90 -0.32 -0.09 1.06 0.00 0.00 176.91 178.42 2jri h ARG 47 N 0.96 0.00 -0.09 1.72 1.12 -0.75 -2.52 114.38 114.83 2jri h ARG 47 Ca 0.21 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.96 2jri h ARG 47 Cb 0.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 2jri h ARG 47 CO -0.01 0.32 -0.50 1.98 -3.11 0.00 0.00 179.97 178.66 2jri h MET 48 N 0.00 0.23 -0.30 0.20 4.05 0.20 0.16 114.93 119.48 2jri h MET 48 Ca -0.00 -0.13 -0.14 0.00 -0.28 0.00 0.00 59.70 59.15 2jri h MET 48 Cb 0.65 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 2jri h MET 48 CO 0.04 0.68 -0.38 0.00 0.23 0.00 0.00 176.91 177.48 2jri h ALA 49 N 1.30 0.78 0.00 0.39 0.00 -0.97 -3.03 119.26 117.74 2jri h ALA 49 Ca 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2jri h ALA 49 Cb 0.94 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jri h ALA 49 CO 0.08 0.65 -0.76 1.05 0.00 0.00 0.00 179.25 180.27 2jri h GLU 50 N 0.57 0.00 -2.85 0.00 4.11 -1.41 -3.44 114.58 111.56 2jri h GLU 50 Ca 0.05 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 58.98 2jri h GLU 50 Cb 0.90 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.75 2jri h GLU 50 CO 0.08 0.03 -0.77 0.20 0.07 0.00 0.00 179.01 178.62 2jri s GLY 51 N -4.35 0.44 0.00 1.06 0.00 0.56 -4.91 107.32 100.12 2jri s GLY 51 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2jri s GLY 51 CO 0.76 1.99 0.00 0.61 0.00 0.00 0.00 173.10 176.46 2jri n GLY 52 N 5.26 0.63 0.13 0.20 0.00 -1.21 -4.20 105.19 106.00 2jri n GLY 52 Ca -0.06 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 2jri n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jri h VAL 53 N 0.00 0.96 0.00 1.61 2.07 -1.86 -3.36 116.25 115.66 2jri h VAL 53 Ca 0.00 -2.60 0.00 0.00 0.82 0.00 0.00 66.70 64.92 2jri h VAL 53 Cb 0.00 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2jri h VAL 53 CO 0.00 0.82 -0.87 0.41 0.02 0.00 0.00 177.57 177.95 2jri n THR 54 N -3.48 0.21 -2.29 2.57 -1.04 -1.26 -4.93 114.28 104.06 2jri n THR 54 Ca -0.22 -0.23 -0.26 0.00 -2.04 0.00 0.00 64.05 61.30 2jri n THR 54 Cb 1.06 0.13 0.05 0.00 -1.82 0.00 0.00 70.33 69.74 2jri n THR 54 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2jri s SER 55 N -3.92 5.28 -0.09 8.00 1.04 -1.26 -4.96 113.70 117.80 2jri s SER 55 Ca 0.05 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.14 2jri s SER 55 Cb 0.14 -1.48 0.20 0.00 0.10 0.00 0.00 66.02 64.98 2jri s SER 55 CO 0.77 -1.28 1.02 -0.62 0.98 0.00 0.00 173.24 174.11 2jri n GLU 56 N -2.73 1.72 0.27 4.02 -0.58 -1.26 -4.25 120.64 117.82 2jri n GLU 56 Ca 0.06 -0.82 0.10 0.00 -0.42 0.00 0.00 57.16 56.08 2jri n GLU 56 Cb 0.59 -1.53 0.71 0.00 -0.57 0.00 0.00 31.44 30.64 2jri n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2jri h ASP 57 N 0.70 0.00 0.12 1.62 3.32 -1.93 -0.31 116.42 119.95 2jri h ASP 57 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2jri h ASP 57 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2jri h ASP 57 CO 0.21 0.04 0.00 -1.22 -1.72 0.00 0.00 179.24 176.55 2jri n TYR 58 N -4.22 0.44 0.01 4.55 4.01 -1.26 -1.91 117.16 118.77 2jri n TYR 58 Ca -0.03 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 2jri n TYR 58 Cb 0.12 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 2jri n TYR 58 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jri n ARG 59 N -1.94 0.00 0.21 -0.72 1.74 -0.66 -4.53 116.66 110.75 2jri n ARG 59 Ca -0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2jri n ARG 59 Cb 0.06 -0.36 -0.08 0.00 -1.02 0.00 0.00 32.46 31.05 2jri n ARG 59 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2jri h THR 60 N 0.00 0.64 0.00 0.55 1.35 -1.15 -2.49 112.91 111.81 2jri h THR 60 Ca 0.00 -0.28 -0.13 0.00 -0.55 0.00 0.00 66.41 65.45 2jri h THR 60 Cb 0.61 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 2jri h THR 60 CO 0.00 0.05 -0.63 0.15 -0.25 0.00 0.00 175.52 174.84 2jri h PHE 61 N -0.66 0.00 0.00 4.73 3.57 -1.56 -2.62 116.94 120.40 2jri h PHE 61 Ca -0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2jri h PHE 61 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2jri h PHE 61 CO -0.01 0.63 -0.05 1.25 -2.23 0.00 0.00 178.31 177.90 2jri h LEU 62 N 0.00 0.00 -3.01 0.59 5.85 -1.34 -2.30 115.31 115.10 2jri h LEU 62 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jri h LEU 62 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2jri h LEU 62 CO 0.08 0.05 0.00 1.67 -0.34 0.00 0.00 178.44 179.91 2jri n GLN 63 N -3.24 2.68 -2.42 1.25 7.27 -0.95 -5.02 117.38 116.95 2jri n GLN 63 Ca -0.01 -2.11 -0.40 0.00 0.07 0.00 0.00 57.00 54.55 2jri n GLN 63 Cb 0.26 -1.33 -0.04 0.00 2.41 0.00 0.00 30.24 31.54 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 -1.63 4.51 0.75 3.69 2.00 -0.87 -5.02 119.66 123.09 2jri s GLN 64 Ca 0.21 1.82 -0.12 0.00 -2.00 0.00 0.00 55.36 55.27 2jri s GLN 64 Cb 0.15 -3.06 0.19 0.00 0.80 0.00 0.00 33.01 31.09 2jri s GLN 64 CO 0.08 0.08 0.47 -2.30 -0.50 0.00 0.00 175.29 173.12 2jri n PRO 65 N 0.92 -3.29 0.00 1.67 -0.02 -1.26 -3.90 135.00 129.11 2jri n PRO 65 Ca 0.00 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.70 2jri n PRO 65 Cb 0.45 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 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 -4.40 0.00 0.19 2.55 7.64 -1.26 -4.28 113.62 114.07 2jri n SER 66 Ca 0.07 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.02 2jri n SER 66 Cb 0.31 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 63.82 2jri n SER 66 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jri h GLY 67 N 0.00 0.00 0.59 0.23 0.00 -1.82 -3.16 103.07 98.91 2jri h GLY 67 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 2jri h GLY 67 CO 0.00 0.00 -0.80 3.43 0.00 0.00 0.00 176.54 179.17 2jri h ASN 68 N 0.00 0.40 0.00 0.19 2.35 -1.74 -3.25 115.58 113.53 2jri h ASN 68 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 56.30 54.80 2jri h ASN 68 Cb 0.96 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2jri h ASN 68 CO 0.04 1.38 0.00 0.80 -1.65 0.00 0.00 177.43 178.00 2jri n MET 69 N -4.16 0.00 0.00 0.81 0.00 -1.20 -4.35 117.12 108.23 2jri n MET 69 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.55 2jri n MET 69 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.01 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 -2.92 116.55 120.52 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 -4.19 116.55 112.69 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 0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.47 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 -1.29 0.59 -0.97 1.67 7.64 -1.26 -4.97 113.62 115.05 2jri n SER 72 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2jri n SER 72 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 2.07 0.00 0.23 0.00 -1.26 -4.78 105.19 106.45 2jri n GLY 73 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.21 0.00 -3.67 1.61 3.72 -1.26 -1.17 117.46 116.91 2jri n PHE 74 Ca 0.06 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.32 2jri n PHE 74 Cb 0.54 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.00 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N 1.90 -0.56 0.73 1.38 0.08 -1.26 -4.80 117.98 115.46 2jri s PHE 75 Ca 0.00 1.26 -0.12 0.00 0.12 0.00 0.00 56.93 58.19 2jri s PHE 75 Cb 0.00 0.23 0.03 0.00 -0.57 0.00 0.00 43.02 42.71 2jri s PHE 75 CO 0.00 -0.36 1.11 -1.12 -0.10 0.00 0.00 175.22 174.75 2jri s SER 76 N -0.18 5.16 0.58 1.36 0.01 -1.15 -4.93 113.70 114.55 2jri s SER 76 Ca -0.04 1.12 0.28 0.00 1.31 0.00 0.00 55.95 58.62 2jri s SER 76 Cb -0.03 -1.88 1.61 0.00 0.21 0.00 0.00 66.02 65.93 2jri s SER 76 CO 0.03 -1.52 2.10 -0.29 0.41 0.00 0.00 173.24 173.97 2jri h ILE 77 N -0.78 0.54 -0.33 1.44 2.10 -1.94 -1.93 117.51 116.60 2jri h ILE 77 Ca -0.45 0.00 0.10 0.00 1.08 0.00 0.00 64.86 65.58 2jri h ILE 77 Cb 1.26 0.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 2jri h ILE 77 CO 0.63 0.00 0.28 1.56 -1.08 0.00 0.00 178.15 179.55 2jri h GLN 78 N 0.00 0.00 0.00 2.19 7.50 -1.92 0.89 115.11 123.78 2jri h GLN 78 Ca 0.09 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.24 2jri h GLN 78 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.01 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 -4.11 0.38 -0.12 -0.54 0.24 -0.73 -2.05 118.33 111.41 2jri n VAL 79 Ca 0.05 0.09 -0.26 0.00 -2.04 0.00 0.00 64.34 62.19 2jri n VAL 79 Cb 0.45 -0.69 -0.11 0.00 -1.47 0.00 0.00 33.84 32.02 2jri n VAL 79 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jri n ILE 80 N -1.50 1.54 0.09 1.34 2.08 0.29 -3.16 119.36 120.04 2jri n ILE 80 Ca 0.06 -0.35 0.02 0.00 0.56 0.00 0.00 62.75 63.04 2jri n ILE 80 Cb 0.27 -1.84 0.37 0.00 -0.75 0.00 0.00 39.64 37.69 2jri n ILE 80 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2jri h SER 81 N -0.78 0.29 1.35 4.38 4.64 -1.56 -2.33 113.55 119.54 2jri h SER 81 Ca -0.58 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 2jri h SER 81 Cb 1.61 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 2jri h SER 81 CO -0.29 0.43 -0.60 -1.13 -0.87 0.00 0.00 176.83 174.36 2jri h ASN 82 N 0.30 0.00 -0.78 4.97 -1.24 -1.61 -3.23 115.58 113.99 2jri h ASN 82 Ca 0.06 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.09 2jri h ASN 82 Cb 0.36 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.37 2jri h ASN 82 CO 0.02 0.01 0.52 0.00 -1.29 0.00 0.00 177.43 176.68 2jri h ALA 83 N 2.05 1.53 0.08 1.57 0.00 -1.37 -0.40 119.26 122.72 2jri h ALA 83 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2jri h ALA 83 Cb 0.98 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2jri h ALA 83 CO 0.00 0.40 -1.61 -0.07 0.00 0.00 0.00 179.25 177.97 2jri h LEU 84 N 0.97 0.26 -0.39 0.00 -0.00 -1.67 -3.35 115.31 111.12 2jri h LEU 84 Ca 0.31 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2jri h LEU 84 Cb 0.04 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2jri h LEU 84 CO -0.09 1.36 0.19 0.50 -0.00 0.00 0.00 178.44 180.40 2jri h LYS 85 N 0.05 0.56 0.00 1.13 3.64 -1.45 0.94 116.57 121.44 2jri h LYS 85 Ca -0.26 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2jri h LYS 85 Cb 2.00 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2jri h LYS 85 CO 0.13 0.49 -0.10 -0.39 -2.27 0.00 0.00 179.45 177.31 2jri h VAL 86 N 0.49 0.59 0.00 2.00 -1.51 -1.25 -1.65 116.25 114.93 2jri h VAL 86 Ca 0.13 -0.42 -0.19 0.00 -1.23 0.00 0.00 66.70 64.99 2jri h VAL 86 Cb 0.12 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.51 2jri h VAL 86 CO -0.02 0.10 -0.99 -0.50 -1.23 0.00 0.00 177.57 174.92 2jri h TRP 87 N 0.00 0.00 0.00 5.19 4.06 -1.60 -3.47 115.95 120.12 2jri h TRP 87 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jri h TRP 87 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2jri h TRP 87 CO 0.00 0.87 0.00 0.41 -3.56 0.00 0.00 178.44 176.16 2jri n GLY 88 N 1.35 1.50 3.99 1.49 0.00 -0.62 -5.13 105.19 107.77 2jri n GLY 88 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 3.24 0.05 0.99 2.01 0.28 -5.00 118.68 120.25 2jri s LEU 89 Ca 0.00 -0.25 0.08 0.00 0.01 0.00 0.00 54.13 53.97 2jri s LEU 89 Cb 0.00 -2.49 -0.03 0.00 0.01 0.00 0.00 46.19 43.68 2jri s LEU 89 CO 0.00 -1.28 -0.23 -0.70 1.01 0.00 0.00 176.35 175.15 2jri s GLU 90 N -4.78 1.51 -0.13 1.70 2.12 -0.93 -3.91 118.70 114.29 2jri s GLU 90 Ca 0.60 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.92 2jri s GLU 90 Cb -0.09 -1.68 0.01 0.00 0.26 0.00 0.00 34.13 32.64 2jri s GLU 90 CO 0.39 0.43 -0.21 -1.17 -0.54 0.00 0.00 175.26 174.16 2jri s LEU 91 N -1.28 2.01 -0.06 2.70 2.96 -1.26 0.41 118.68 124.17 2jri s LEU 91 Ca 0.09 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 2jri s LEU 91 Cb -0.09 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 2jri s LEU 91 CO 0.02 0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.30 2jri s ILE 92 N 0.78 1.68 -0.81 6.68 -1.09 0.57 -4.97 121.20 124.04 2jri s ILE 92 Ca -0.09 -0.84 -0.22 0.00 -2.23 0.00 0.00 60.65 57.28 2jri s ILE 92 Cb -0.16 -1.44 0.09 0.00 -1.58 0.00 0.00 42.46 39.37 2jri s ILE 92 CO -0.00 0.48 1.11 -0.22 -1.23 0.00 0.00 174.94 175.07 2jri s LEU 93 N 0.09 4.41 0.04 2.97 2.96 -1.26 -0.47 118.68 127.42 2jri s LEU 93 Ca -0.07 -1.38 0.18 0.00 -0.22 0.00 0.00 54.13 52.64 2jri s LEU 93 Cb -0.14 -2.44 0.74 0.00 0.50 0.00 0.00 46.19 44.86 2jri s LEU 93 CO 0.04 -1.35 1.56 0.33 -1.32 0.00 0.00 176.35 175.61 2jri n PHE 94 N 7.58 0.14 1.36 5.38 7.35 0.56 -2.13 117.46 137.70 2jri n PHE 94 Ca 0.11 0.05 0.14 0.00 -0.76 0.00 0.00 57.45 57.00 2jri n PHE 94 Cb 0.48 -0.59 0.73 0.00 0.35 0.00 0.00 39.48 40.45 2jri n PHE 94 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2jri n ASN 95 N -1.63 0.00 -4.68 -2.13 5.15 -1.19 -4.22 115.26 106.57 2jri n ASN 95 Ca 0.04 -0.10 -0.36 0.00 -0.60 0.00 0.00 54.58 53.56 2jri n ASN 95 Cb 0.20 -0.30 -0.09 0.00 -0.53 0.00 0.00 39.78 39.07 2jri n ASN 95 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2jri s SER 96 N -2.59 6.22 0.34 1.20 0.01 -0.90 -4.96 113.70 113.01 2jri s SER 96 Ca 0.27 0.24 0.13 0.00 1.31 0.00 0.00 55.95 57.90 2jri s SER 96 Cb 0.19 -2.13 1.05 0.00 0.21 0.00 0.00 66.02 65.34 2jri s SER 96 CO 0.45 0.07 1.67 -0.65 0.41 0.00 0.00 173.24 175.19 2jri h PRO 97 N 7.23 0.34 0.00 12.44 0.11 -1.88 0.27 132.00 150.51 2jri h PRO 97 Ca -0.39 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 2jri h PRO 97 Cb 1.16 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jri h PRO 97 CO 0.70 0.23 -0.08 1.05 -0.21 0.00 0.00 178.00 179.68 2jri h GLU 98 N 0.35 0.00 -0.18 1.05 9.09 -1.94 -2.00 114.58 120.96 2jri h GLU 98 Ca 0.72 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.13 2jri h GLU 98 Cb 1.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.69 2jri h GLU 98 CO -0.59 0.08 0.00 0.66 0.05 0.00 0.00 179.01 179.21 2jri n TYR 99 N -3.97 0.24 0.45 2.06 4.01 0.73 -4.45 117.16 116.22 2jri n TYR 99 Ca -0.02 -0.38 0.08 0.00 -0.16 0.00 0.00 57.90 57.42 2jri n TYR 99 Cb 0.17 -0.03 0.23 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.24 2.15 -2.41 -0.72 7.27 0.08 -4.15 117.38 119.84 2jri n GLN 100 Ca 0.07 -1.78 -0.26 0.00 0.07 0.00 0.00 57.00 55.10 2jri n GLN 100 Cb 0.32 -1.40 0.00 0.00 2.41 0.00 0.00 30.24 31.58 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 0.95 3.39 0.03 3.69 1.85 -1.24 -4.72 116.66 120.61 2jri n ARG 101 Ca 0.17 -4.42 0.01 0.00 -1.00 0.00 0.00 57.85 52.61 2jri n ARG 101 Cb 0.43 -2.22 -0.08 0.00 -1.05 0.00 0.00 32.46 29.53 2jri n ARG 101 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2jri n LEU 102 N -0.51 0.82 -1.57 2.89 -0.00 -1.26 -4.97 117.00 112.41 2jri n LEU 102 Ca 0.39 0.36 -0.18 0.00 -0.00 0.00 0.00 56.01 56.58 2jri n LEU 102 Cb 0.71 0.07 -0.06 0.00 -0.00 0.00 0.00 43.42 44.15 2jri n LEU 102 CO 0.34 0.13 -0.19 0.54 -0.00 0.00 0.00 177.39 178.21 2jri n ARG 103 N -2.86 -1.31 -2.58 1.47 3.00 -1.26 -5.00 116.66 108.13 2jri n ARG 103 Ca -0.09 1.06 -0.22 0.00 -0.01 0.00 0.00 57.85 58.59 2jri n ARG 103 Cb 0.82 -5.39 0.04 0.00 0.00 0.00 0.00 32.46 27.93 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 -2.73 2.78 -0.29 0.55 1.01 -1.26 -5.06 121.20 116.19 2jri s ILE 104 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 2jri s ILE 104 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 2jri s ILE 104 CO 0.00 -0.06 0.46 -0.62 0.00 0.00 0.00 174.94 174.73 2jri s ASP 105 N -4.42 6.33 0.52 3.58 -1.08 -1.26 -4.95 116.67 115.40 2jri s ASP 105 Ca 0.57 0.26 0.30 0.00 -0.52 0.00 0.00 52.55 53.15 2jri s ASP 105 Cb -0.10 -2.25 1.36 0.00 -1.46 0.00 0.00 42.92 40.47 2jri s ASP 105 CO 0.40 -0.31 2.00 1.55 0.52 0.00 0.00 175.17 179.33 2jri h PRO 106 N 8.21 0.00 0.00 4.34 0.13 -1.98 -2.53 132.00 140.17 2jri h PRO 106 Ca -0.29 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2jri h PRO 106 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2jri h PRO 106 CO 0.71 0.11 -0.58 0.82 -0.23 0.00 0.00 178.00 178.83 2jri h ILE 107 N 0.00 0.99 -0.48 -3.56 2.04 -1.92 -3.12 117.51 111.47 2jri h ILE 107 Ca -0.00 -2.40 -0.09 0.00 1.00 0.00 0.00 64.86 63.36 2jri h ILE 107 Cb 0.48 2.49 -0.06 0.00 -0.74 0.00 0.00 36.82 39.00 2jri h ILE 107 CO 0.01 0.57 0.12 -3.20 0.00 0.00 0.00 178.15 175.65 2jri n ASN 108 N -3.25 4.12 -1.70 1.72 5.15 -0.96 -4.90 115.26 115.45 2jri n ASN 108 Ca 0.02 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.22 2jri n ASN 108 Cb 0.77 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.16 1.58 0.04 1.20 -0.58 -1.18 -4.97 120.64 116.89 2jri n GLU 109 Ca 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2jri n GLU 109 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.89 2jri n GLU 109 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jri n ARG 110 N -0.24 0.00 -3.64 3.49 0.00 -1.26 -4.91 116.66 110.11 2jri n ARG 110 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.76 2jri n ARG 110 Cb 0.00 -0.45 -0.07 0.00 -0.00 0.00 0.00 32.46 31.94 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 -5.56 -0.83 -0.02 2.89 0.01 -1.26 -1.75 113.70 107.18 2jri s SER 111 Ca 0.00 1.40 -0.02 0.00 1.31 0.00 0.00 55.95 58.63 2jri s SER 111 Cb 0.00 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.60 2jri s SER 111 CO 0.00 -0.23 0.06 0.72 0.41 0.00 0.00 173.24 174.20 2jri s PHE 112 N 1.20 -0.05 -0.17 2.43 -0.71 -0.70 -0.84 117.98 119.14 2jri s PHE 112 Ca -0.07 0.12 -0.01 0.00 -1.04 0.00 0.00 56.93 55.94 2jri s PHE 112 Cb -0.05 0.01 -0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2jri s PHE 112 CO -0.13 -0.05 -0.14 0.42 -1.34 0.00 0.00 175.22 173.99 2jri s ILE 113 N -0.09 2.76 -0.25 -4.49 1.01 0.47 -1.04 121.20 119.58 2jri s ILE 113 Ca -0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2jri s ILE 113 Cb -0.01 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.28 2jri s ILE 113 CO 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 174.94 175.43 2jri s ASN 115 N 1.44 6.54 -0.55 0.00 2.20 -1.08 0.52 114.94 124.01 2jri s ASN 115 Ca 0.03 0.63 0.05 0.00 -0.94 0.00 0.00 52.86 52.63 2jri s ASN 115 Cb -0.16 -2.11 0.36 0.00 -2.00 0.00 0.00 41.25 37.34 2jri s ASN 115 CO -0.02 0.24 1.01 0.00 -2.94 0.00 0.00 177.10 175.39 2jri n TYR 116 N 1.10 3.86 0.00 1.54 9.36 0.19 -0.90 117.16 132.32 2jri n TYR 116 Ca -0.11 -3.73 0.00 0.00 3.32 0.00 0.00 57.90 57.39 2jri n TYR 116 Cb 0.53 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.31 0.00 -0.09 2.98 3.00 -1.26 -3.65 118.16 118.83 2jri n LYS 117 Ca 0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.53 2jri n LYS 117 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.39 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 0.81 -4.16 1.64 0.00 -1.26 -5.01 120.64 112.66 2jri n GLU 118 Ca 0.00 0.07 -0.29 0.00 0.00 0.00 0.00 57.16 56.95 2jri n GLU 118 Cb 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 31.44 29.98 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 -2.38 2.92 -0.03 4.31 3.76 -1.24 -5.12 115.29 117.51 2jri s HIS 119 Ca -0.20 -0.08 0.07 0.00 -0.15 0.00 0.00 55.06 54.70 2jri s HIS 119 Cb 0.06 -1.47 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 2jri s HIS 119 CO 0.49 0.49 -0.25 -1.58 -0.85 0.00 0.00 174.74 173.05 2jri s TRP 120 N -1.48 2.39 -0.55 1.40 0.52 -1.26 0.55 118.94 120.51 2jri s TRP 120 Ca 0.26 -0.49 -0.09 0.00 0.02 0.00 0.00 56.10 55.80 2jri s TRP 120 Cb -0.11 -1.54 0.14 0.00 -1.15 0.00 0.00 33.47 30.82 2jri s TRP 120 CO 0.18 -0.07 0.42 -0.06 0.02 0.00 0.00 176.95 177.44 2jri s PHE 121 N -0.50 3.47 -0.39 -1.98 0.40 0.18 -4.71 117.98 114.46 2jri s PHE 121 Ca 0.06 -2.04 -0.28 0.00 -0.60 0.00 0.00 56.93 54.07 2jri s PHE 121 Cb -0.11 -3.49 0.02 0.00 0.51 0.00 0.00 43.02 39.95 2jri s PHE 121 CO 0.00 -0.97 1.06 0.99 0.70 0.00 0.00 175.22 177.00 2jri s THR 122 N 0.95 4.42 -0.33 0.64 2.01 -1.21 -1.13 115.64 120.98 2jri s THR 122 Ca 0.09 1.38 -0.06 0.00 0.31 0.00 0.00 61.69 63.42 2jri s THR 122 Cb -0.23 -4.47 0.04 0.00 0.01 0.00 0.00 72.50 67.85 2jri s THR 122 CO -0.02 -0.70 0.09 -0.69 -0.69 0.00 0.00 174.62 172.61 2jri s VAL 123 N 3.90 3.71 -0.10 3.82 1.01 -0.20 -0.01 120.40 132.53 2jri s VAL 123 Ca 0.44 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2jri s VAL 123 Cb -0.10 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 2jri s VAL 123 CO 0.22 -0.15 -0.04 -0.60 0.00 0.00 0.00 175.10 174.53 2jri s ARG 124 N 1.39 3.09 -0.01 2.72 6.06 -0.56 -1.72 118.95 129.92 2jri s ARG 124 Ca -0.02 -0.51 -0.30 0.00 -2.50 0.00 0.00 55.73 52.40 2jri s ARG 124 Cb -0.19 -2.73 -0.04 0.00 0.06 0.00 0.00 34.95 32.04 2jri s ARG 124 CO 0.02 0.54 1.21 0.21 -2.50 0.00 0.00 175.30 174.79 2jri s LYS 125 N -0.46 4.38 -0.13 5.12 2.36 -0.72 -1.70 119.74 128.59 2jri s LYS 125 Ca 0.07 1.73 -0.00 0.00 -2.55 0.00 0.00 55.97 55.22 2jri s LYS 125 Cb -0.12 -3.48 0.03 0.00 -1.05 0.00 0.00 37.83 33.20 2jri s LYS 125 CO 0.02 -0.38 -0.09 -0.51 1.55 0.00 0.00 175.35 175.94 2jri s LEU 126 N 1.79 1.41 0.00 5.43 1.02 0.65 -4.85 118.68 124.13 2jri s LEU 126 Ca 0.58 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.30 2jri s LEU 126 Cb -0.27 -0.94 0.00 0.00 0.02 0.00 0.00 46.19 45.00 2jri s LEU 126 CO 0.25 -0.12 0.00 0.61 0.02 0.00 0.00 176.35 177.11 2jri n GLY 127 N 4.88 0.63 0.00 -3.19 0.00 -1.00 -1.30 105.19 105.21 2jri n GLY 127 Ca -0.13 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 0.04 -1.63 1.61 0.00 -1.26 -4.84 118.16 112.08 2jri n LYS 128 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 2jri n LYS 128 Cb 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 35.03 35.10 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 -0.24 0.03 -4.29 1.64 3.00 -0.42 -4.97 117.38 112.13 2jri n GLN 129 Ca 0.00 -1.51 -0.21 0.00 -0.01 0.00 0.00 57.00 55.27 2jri n GLN 129 Cb 0.00 -0.46 -0.13 0.00 0.00 0.00 0.00 30.24 29.66 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 -1.86 1.46 -0.01 1.08 0.52 -1.06 -0.25 118.94 118.82 2jri s TRP 130 Ca 0.39 -0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.12 2jri s TRP 130 Cb -0.02 -0.83 -0.00 0.00 -1.15 0.00 0.00 33.47 31.47 2jri s TRP 130 CO 0.26 0.10 -0.07 -0.06 0.02 0.00 0.00 176.95 177.21 2jri s PHE 131 N -1.11 0.66 -0.10 -1.98 0.08 -0.69 -1.40 117.98 113.45 2jri s PHE 131 Ca 0.02 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 2jri s PHE 131 Cb -0.09 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 2jri s PHE 131 CO 0.03 -0.04 0.35 1.21 -0.10 0.00 0.00 175.22 176.67 2jri s ASN 132 N 0.02 6.59 -0.21 1.36 2.47 -1.24 -1.50 114.94 122.43 2jri s ASN 132 Ca 0.00 0.70 0.01 0.00 0.42 0.00 0.00 52.86 54.00 2jri s ASN 132 Cb -0.05 -2.22 0.04 0.00 -1.45 0.00 0.00 41.25 37.58 2jri s ASN 132 CO -0.00 0.17 -0.11 -0.76 -3.72 0.00 0.00 177.10 172.67 2jri s LEU 133 N -0.06 2.52 -0.18 3.21 1.43 0.99 -4.06 118.68 122.54 2jri s LEU 133 Ca 0.21 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 52.15 2jri s LEU 133 Cb -0.14 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.80 2jri s LEU 133 CO 0.08 -0.14 0.50 0.21 0.23 0.00 0.00 176.35 177.23 2jri s ASN 134 N 1.32 -0.51 -1.10 2.29 2.47 -1.26 -3.34 114.94 114.81 2jri s ASN 134 Ca -0.02 0.97 -0.16 0.00 0.42 0.00 0.00 52.86 54.06 2jri s ASN 134 Cb -0.17 0.98 -0.07 0.00 -1.45 0.00 0.00 41.25 40.54 2jri s ASN 134 CO -0.08 -0.20 2.14 -1.20 -3.72 0.00 0.00 177.10 174.05 2jri n SER 135 N 2.70 3.81 0.00 -4.21 7.64 -1.26 -3.88 113.62 118.42 2jri n SER 135 Ca -0.14 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.06 2jri n SER 135 Cb 0.57 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 6.26 0.00 -4.74 -3.43 7.94 -1.26 -5.10 117.00 116.67 2jri n LEU 136 Ca 0.52 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.00 2jri n LEU 136 Cb 0.35 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.29 2jri n LEU 136 CO 0.93 0.00 1.12 0.00 -1.11 0.00 0.00 177.39 178.34 2jri n LEU 137 N -0.69 4.25 -2.01 -1.96 -0.00 -1.25 -4.89 117.00 110.45 2jri n LEU 137 Ca 0.00 1.19 -0.22 0.00 -0.00 0.00 0.00 56.01 56.98 2jri n LEU 137 Cb 0.00 -1.57 0.07 0.00 -0.00 0.00 0.00 43.42 41.92 2jri n LEU 137 CO 0.00 -0.02 1.25 1.07 -0.00 0.00 0.00 177.39 179.69 2jri n THR 138 N 1.18 2.98 -3.19 1.47 5.66 -1.26 -4.79 114.28 116.33 2jri n THR 138 Ca 0.05 -1.96 0.04 0.00 -3.05 0.00 0.00 64.05 59.14 2jri n THR 138 Cb 0.37 -1.13 -0.04 0.00 -1.55 0.00 0.00 70.33 67.98 2jri n THR 138 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2jri s GLY 139 N -0.59 0.37 -0.10 1.09 0.00 -1.26 -5.13 107.32 101.69 2jri s GLY 139 Ca 0.43 3.76 -0.36 0.00 0.00 0.00 0.00 44.72 48.55 2jri s GLY 139 CO 0.01 3.37 1.80 -1.05 0.00 0.00 0.00 173.10 177.22 2jri n PRO 140 N 4.40 1.88 -2.17 2.90 -0.02 -1.26 -4.89 135.00 135.84 2jri n PRO 140 Ca -0.07 0.69 -0.43 0.00 -2.02 0.00 0.00 63.50 61.67 2jri n PRO 140 Cb 0.56 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 3.48 3.99 -0.35 -0.52 2.02 -1.26 -4.86 118.70 121.20 2jri s GLU 141 Ca 0.92 1.76 -0.28 0.00 0.02 0.00 0.00 54.97 57.39 2jri s GLU 141 Cb -0.80 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 29.47 2jri s GLU 141 CO 0.54 -1.05 1.69 -1.17 0.02 0.00 0.00 175.26 175.28 2jri s LEU 142 N 4.51 3.53 -0.33 1.80 2.96 -1.26 -3.65 118.68 126.24 2jri s LEU 142 Ca 0.67 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 55.66 2jri s LEU 142 Cb -0.26 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 42.91 2jri s LEU 142 CO 0.26 -1.62 0.16 -0.63 -1.32 0.00 0.00 176.35 173.20 2jri s ILE 143 N 6.44 4.49 1.03 6.68 1.01 -0.49 -5.03 121.20 135.34 2jri s ILE 143 Ca 0.75 -0.62 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 2jri s ILE 143 Cb -0.20 -3.37 0.23 0.00 0.01 0.00 0.00 42.46 39.13 2jri s ILE 143 CO 0.33 -0.04 1.29 -0.44 0.00 0.00 0.00 174.94 176.09 2jri s SER 144 N 1.57 2.46 0.00 3.58 0.01 -1.26 -2.55 113.70 117.52 2jri s SER 144 Ca 0.03 0.27 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 2jri s SER 144 Cb -0.18 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 2jri s SER 144 CO 0.06 -3.14 0.91 0.44 0.41 0.00 0.00 173.24 171.92 2jri h ASP 145 N -1.92 -0.07 -0.02 2.44 5.19 -1.98 -0.23 116.42 119.82 2jri h ASP 145 Ca -0.44 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 2jri h ASP 145 Cb 1.24 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.76 2jri h ASP 145 CO 0.33 -0.04 -0.00 0.74 -3.12 0.00 0.00 179.24 177.15 2jri h THR 146 N -0.09 1.03 -0.56 0.35 2.02 -2.00 -1.60 112.91 112.07 2jri h THR 146 Ca -0.01 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.95 2jri h THR 146 Cb 0.06 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 2jri h THR 146 CO 0.01 0.04 -0.02 0.22 0.37 0.00 0.00 175.52 176.14 2jri h TYR 147 N 0.07 1.09 -0.71 3.16 3.20 -1.93 -2.68 116.97 119.16 2jri h TYR 147 Ca 0.02 -0.20 -0.02 0.00 3.14 0.00 0.00 58.73 61.66 2jri h TYR 147 Cb 0.05 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 2jri h TYR 147 CO 0.00 0.99 0.34 1.25 -1.64 0.00 0.00 178.16 179.11 2jri h LEU 148 N 0.88 0.91 -0.45 2.82 5.85 -0.03 0.32 115.31 125.61 2jri h LEU 148 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2jri h LEU 148 Cb 0.57 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2jri h LEU 148 CO 0.03 0.77 0.26 0.00 -0.34 0.00 0.00 178.44 179.16 2jri h ALA 149 N 1.37 0.57 -0.33 1.25 0.00 -1.19 0.18 119.26 121.11 2jri h ALA 149 Ca 0.25 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2jri h ALA 149 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jri h ALA 149 CO -0.03 -0.06 -0.36 1.25 0.00 0.00 0.00 179.25 180.05 2jri h LEU 150 N 0.53 0.89 -0.47 0.00 5.85 -1.11 -2.97 115.31 118.02 2jri h LEU 150 Ca 0.18 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.49 2jri h LEU 150 Cb 0.02 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 2jri h LEU 150 CO -0.09 1.19 0.16 0.15 -0.34 0.00 0.00 178.44 179.51 2jri h PHE 151 N 0.62 0.29 -0.89 1.25 3.57 0.16 0.20 116.94 122.14 2jri h PHE 151 Ca 0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2jri h PHE 151 Cb 0.94 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 2jri h PHE 151 CO 0.07 0.10 0.55 -0.07 -2.23 0.00 0.00 178.31 176.73 2jri h LEU 152 N 0.34 0.87 -0.35 0.59 -0.00 -0.63 -1.16 115.31 114.97 2jri h LEU 152 Ca 0.23 0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 58.01 2jri h LEU 152 Cb 0.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2jri h LEU 152 CO -0.23 0.55 -0.22 0.00 -0.00 0.00 0.00 178.44 178.54 2jri h ALA 153 N 1.42 0.50 -0.86 1.53 0.00 -1.08 -3.01 119.26 117.76 2jri h ALA 153 Ca 0.39 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jri h ALA 153 Cb 0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2jri h ALA 153 CO -0.18 0.47 0.55 1.96 0.00 0.00 0.00 179.25 182.06 2jri h GLN 154 N 0.56 1.02 -0.69 0.00 1.08 0.08 -0.80 115.11 116.36 2jri h GLN 154 Ca 0.07 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 2jri h GLN 154 Cb 0.78 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 2jri h GLN 154 CO 0.06 0.68 0.44 -0.07 -0.95 0.00 0.00 178.83 178.99 2jri h LEU 155 N 1.05 0.74 -0.39 1.46 3.38 -1.15 0.30 115.31 120.70 2jri h LEU 155 Ca 0.35 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.21 2jri h LEU 155 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2jri h LEU 155 CO -0.13 0.52 -0.14 1.56 0.09 0.00 0.00 178.44 180.34 2jri h GLN 156 N 0.88 0.79 -0.50 1.13 4.20 -1.27 0.65 115.11 121.00 2jri h GLN 156 Ca 0.27 -0.32 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 2jri h GLN 156 Cb -0.03 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jri h GLN 156 CO -0.08 0.94 -0.18 1.96 -0.67 0.00 0.00 178.83 180.80 2jri h GLN 157 N 0.60 1.00 -0.24 1.46 4.20 -0.77 -3.18 115.11 118.17 2jri h GLN 157 Ca 0.09 -0.41 -0.07 0.00 0.06 0.00 0.00 58.65 58.33 2jri h GLN 157 Cb 0.68 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2jri h GLN 157 CO 0.05 1.08 -0.12 1.49 -0.67 0.00 0.00 178.83 180.66 2jri h GLU 158 N 0.87 0.51 0.00 1.46 4.57 -0.36 -3.48 114.58 118.15 2jri h GLU 158 Ca 0.12 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 2jri h GLU 158 Cb 0.75 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2jri h GLU 158 CO 0.06 0.78 0.00 0.41 -1.18 0.00 0.00 179.01 179.08 2jri n GLY 159 N -0.01 0.97 0.00 1.92 0.00 -0.53 -5.09 105.19 102.45 2jri n GLY 159 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.91 -3.40 1.61 4.02 0.11 -4.80 117.16 111.79 2jri n TYR 160 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 2jri n TYR 160 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 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 1.94 -0.41 7.72 0.01 -0.08 -4.89 113.70 116.99 2jri s SER 161 Ca 0.00 -2.60 -0.28 0.00 1.31 0.00 0.00 55.95 54.38 2jri s SER 161 Cb 0.00 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2jri s SER 161 CO 0.00 -0.23 1.92 -0.63 0.41 0.00 0.00 173.24 174.71 2jri s ILE 162 N 0.56 3.35 -0.51 1.44 1.01 -1.26 -2.63 121.20 123.17 2jri s ILE 162 Ca 0.26 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.13 2jri s ILE 162 Cb -0.08 -3.60 0.13 0.00 0.01 0.00 0.00 42.46 38.92 2jri s ILE 162 CO -0.10 -0.46 0.39 -0.36 0.00 0.00 0.00 174.94 174.40 2jri s PHE 163 N 8.15 3.43 -0.03 3.97 0.08 0.52 -0.32 117.98 133.77 2jri s PHE 163 Ca 0.80 -1.88 -0.19 0.00 0.12 0.00 0.00 56.93 55.78 2jri s PHE 163 Cb -0.20 -3.53 -0.05 0.00 -0.57 0.00 0.00 43.02 38.67 2jri s PHE 163 CO 0.30 -0.99 0.52 0.54 -0.10 0.00 0.00 175.22 175.49 2jri s VAL 164 N 1.23 5.00 -0.12 -0.44 0.11 0.38 -0.39 120.40 126.17 2jri s VAL 164 Ca 0.07 1.08 -0.13 0.00 -2.93 0.00 0.00 61.98 60.06 2jri s VAL 164 Cb -0.25 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.69 2jri s VAL 164 CO -0.01 0.43 0.31 -0.69 -3.33 0.00 0.00 175.10 171.81 2jri s VAL 165 N -0.18 5.26 0.04 2.04 1.01 -0.02 -0.32 120.40 128.24 2jri s VAL 165 Ca 0.28 0.60 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2jri s VAL 165 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2jri s VAL 165 CO 0.15 0.45 0.02 -0.54 0.00 0.00 0.00 175.10 175.17 2jri s LYS 166 N -0.02 2.75 0.00 2.72 -0.14 0.17 -4.37 119.74 120.85 2jri s LYS 166 Ca 0.18 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 2jri s LYS 166 Cb -0.14 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 2jri s LYS 166 CO 0.06 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 175.66 2jri n GLY 167 N 1.01 1.19 3.44 -3.33 0.00 -1.26 -2.20 105.19 104.03 2jri n GLY 167 Ca -0.12 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 2jri n GLY 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jri s ASP 168 N 0.00 6.21 0.24 1.61 2.15 -1.26 -4.90 116.67 120.72 2jri s ASP 168 Ca 0.00 -1.03 -0.23 0.00 0.43 0.00 0.00 52.55 51.72 2jri s ASP 168 Cb 0.00 -2.36 -0.09 0.00 -0.30 0.00 0.00 42.92 40.18 2jri s ASP 168 CO 0.00 -1.20 0.81 -0.76 -0.17 0.00 0.00 175.17 173.85 2jri s LEU 169 N 3.32 4.40 0.19 -1.34 1.02 -1.26 -5.00 118.68 120.01 2jri s LEU 169 Ca 0.18 1.61 -0.33 0.00 0.02 0.00 0.00 54.13 55.61 2jri s LEU 169 Cb -0.19 -3.66 -0.13 0.00 0.02 0.00 0.00 46.19 42.23 2jri s LEU 169 CO 0.10 0.04 1.58 -0.81 0.02 0.00 0.00 176.35 177.28 2jri n PRO 170 N 0.87 2.25 -2.82 1.29 -0.04 -1.26 -5.00 135.00 130.29 2jri n PRO 170 Ca -0.02 0.81 -0.21 0.00 -0.04 0.00 0.00 63.50 64.04 2jri n PRO 170 Cb 0.50 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.46 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 0.84 4.88 0.26 3.54 -4.77 -1.26 -4.96 116.67 115.20 2jri s ASP 171 Ca 0.76 -0.54 0.00 0.00 -3.30 0.00 0.00 52.55 49.47 2jri s ASP 171 Cb -0.64 -0.03 0.00 0.00 -1.09 0.00 0.00 42.92 41.16 2jri s ASP 171 CO 0.39 -1.46 0.34 0.00 0.70 0.00 0.00 175.17 175.13 2jri h GLU 173 N 0.00 0.51 0.00 0.00 4.57 -1.98 -0.75 114.58 116.93 2jri h GLU 173 Ca -0.20 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 2jri h GLU 173 Cb 0.89 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2jri h GLU 173 CO 0.27 0.34 -0.05 0.00 -1.18 0.00 0.00 179.01 178.40 2jri h ALA 174 N 1.63 1.17 0.02 2.92 0.00 -1.98 -0.18 119.26 122.85 2jri h ALA 174 Ca 0.37 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.97 2jri h ALA 174 Cb 0.70 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2jri h ALA 174 CO -0.13 0.06 -1.47 0.22 0.00 0.00 0.00 179.25 177.92 2jri h ASP 175 N 0.00 0.06 0.93 0.00 3.58 -1.46 -3.15 116.42 116.38 2jri h ASP 175 Ca -0.00 -0.09 -0.21 0.00 0.42 0.00 0.00 57.03 57.14 2jri h ASP 175 Cb 0.22 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2jri h ASP 175 CO 0.01 1.08 -1.11 1.56 -2.88 0.00 0.00 179.24 177.89 2jri h GLN 176 N 0.01 0.00 0.00 0.28 4.20 -1.28 -2.66 115.11 115.66 2jri h GLN 176 Ca -0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2jri h GLN 176 Cb 1.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.72 2jri h GLN 176 CO 0.10 0.81 -0.46 1.47 -0.67 0.00 0.00 178.83 180.09 2jri n LEU 177 N -3.25 0.52 -1.78 1.46 -0.00 -0.14 -3.95 117.00 109.85 2jri n LEU 177 Ca -0.04 0.19 -0.15 0.00 -0.00 0.00 0.00 56.01 56.01 2jri n LEU 177 Cb 0.94 -0.26 0.11 0.00 -0.00 0.00 0.00 43.42 44.21 2jri n LEU 177 CO 0.46 0.02 1.01 -0.11 -0.00 0.00 0.00 177.39 178.77 2jri n LEU 178 N -1.78 5.43 0.06 1.47 -0.00 -1.19 -4.09 117.00 116.90 2jri n LEU 178 Ca 0.05 -2.86 0.09 0.00 -0.00 0.00 0.00 56.01 53.28 2jri n LEU 178 Cb 0.38 -0.73 -0.06 0.00 -0.00 0.00 0.00 43.42 43.01 2jri n LEU 178 CO 0.34 0.87 -0.25 0.00 -0.00 0.00 0.00 177.39 178.35 2jri n GLN 179 N -0.50 0.62 -2.56 1.96 1.13 -1.25 -4.03 117.38 112.76 2jri n GLN 179 Ca 0.38 0.06 -0.14 0.00 -1.94 0.00 0.00 57.00 55.36 2jri n GLN 179 Cb 1.20 -1.74 0.03 0.00 0.11 0.00 0.00 30.24 29.83 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 -2.62 2.24 -4.38 -1.09 0.00 -1.26 -5.02 117.12 104.99 2jri n MET 180 Ca -0.04 -3.77 -0.33 0.00 0.00 0.00 0.00 57.70 53.57 2jri n MET 180 Cb 0.63 -1.74 -0.16 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 -4.11 2.19 0.00 3.17 -1.09 -1.26 -5.20 121.20 114.89 2jri s ILE 181 Ca 0.36 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2jri s ILE 181 Cb 0.40 -1.91 0.00 0.00 -1.58 0.00 0.00 42.46 39.38 2jri s ILE 181 CO -0.04 0.54 0.00 -1.14 -1.23 0.00 0.00 174.94 173.07