#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 -2.27 2.12 4.71 -1.26 -4.95 120.64 118.99 2jri n GLU 2 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 2jri n GLU 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 2jri n GLU 2 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2jri s SER 3 N -0.71 5.68 0.04 1.62 0.01 -1.26 -4.97 113.70 114.12 2jri s SER 3 Ca 0.00 -0.01 0.06 0.00 1.31 0.00 0.00 55.95 57.30 2jri s SER 3 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2jri s SER 3 CO 0.00 -2.12 -0.16 -0.63 0.41 0.00 0.00 173.24 170.74 2jri s ILE 4 N 7.53 1.27 -1.24 1.44 1.01 -1.26 -2.84 121.20 127.10 2jri s ILE 4 Ca 0.53 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.98 2jri s ILE 4 Cb -0.11 -1.13 0.13 0.00 0.01 0.00 0.00 42.46 41.36 2jri s ILE 4 CO 0.18 0.07 1.55 -0.36 0.00 0.00 0.00 174.94 176.38 2jri s PHE 5 N -0.82 3.20 -0.87 3.97 0.40 -1.26 -4.81 117.98 117.79 2jri s PHE 5 Ca 0.03 -1.91 -0.01 0.00 -0.60 0.00 0.00 56.93 54.45 2jri s PHE 5 Cb -0.08 -4.49 0.34 0.00 0.51 0.00 0.00 43.02 39.30 2jri s PHE 5 CO 0.01 -1.57 1.85 1.58 0.70 0.00 0.00 175.22 177.80 2jri n HIS 6 N 6.78 2.99 -1.62 0.36 -0.00 -1.26 -4.65 115.22 117.82 2jri n HIS 6 Ca 0.41 -2.53 -0.45 0.00 0.46 0.00 0.00 57.72 55.62 2jri n HIS 6 Cb 0.44 -1.09 -0.04 0.00 -0.12 0.00 0.00 29.99 29.19 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 -0.36 2.20 -5.11 1.57 -0.58 -1.26 -4.96 120.64 112.13 2jri n GLU 7 Ca 0.50 0.73 -0.32 0.00 -0.42 0.00 0.00 57.16 57.65 2jri n GLU 7 Cb 0.28 -2.95 -0.16 0.00 -0.57 0.00 0.00 31.44 28.04 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 5.25 2.82 0.10 3.49 2.20 -1.26 -4.88 119.74 127.46 2jri s LYS 8 Ca 0.96 -0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 55.73 2jri s LYS 8 Cb -0.50 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 2jri s LYS 8 CO 0.43 0.33 0.04 1.14 -0.36 0.00 0.00 175.35 176.92 2jri s GLN 9 N -0.02 0.81 0.01 4.03 0.00 -1.26 -5.12 119.66 118.11 2jri s GLN 9 Ca -0.07 -1.33 0.01 0.00 -0.00 0.00 0.00 55.36 53.98 2jri s GLN 9 Cb -0.15 0.24 -0.01 0.00 0.00 0.00 0.00 33.01 33.09 2jri s GLN 9 CO 0.05 -0.21 -0.05 -1.21 0.00 0.00 0.00 175.29 173.87 2jri s GLU 10 N -3.99 0.37 0.00 9.60 2.02 -1.26 -4.87 118.70 120.57 2jri s GLU 10 Ca 0.16 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 54.81 2jri s GLU 10 Cb 0.07 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.04 2jri s GLU 10 CO -0.03 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2jri n GLY 11 N 2.45 -0.13 7.00 -1.39 0.00 -1.26 -4.97 105.19 106.89 2jri n GLY 11 Ca -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.49 -3.26 -2.41 1.61 7.64 -1.26 -4.89 113.62 110.56 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 0.14 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.68 0.29 -3.43 7.99 -0.96 -4.85 117.00 114.36 2jri n LEU 13 Ca 0.00 0.06 0.18 0.00 -0.01 0.00 0.00 56.01 56.24 2jri n LEU 13 Cb 0.00 -2.68 0.82 0.00 -0.11 0.00 0.00 43.42 41.45 2jri n LEU 13 CO 0.00 -0.19 1.03 0.00 -1.51 0.00 0.00 177.39 176.72 2jri h ALA 15 N 1.97 1.41 -0.00 0.00 0.00 -1.93 -0.68 119.26 120.03 2jri h ALA 15 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2jri h ALA 15 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jri h ALA 15 CO 0.00 0.42 0.00 0.94 0.00 0.00 0.00 179.25 180.61 2jri n GLN 16 N -4.08 1.01 -0.03 0.00 0.00 -0.84 -2.89 117.38 110.54 2jri n GLN 16 Ca -0.02 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.00 56.90 2jri n GLN 16 Cb 0.38 -1.25 -0.02 0.00 0.00 0.00 0.00 30.24 29.34 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2jri n HIS 17 N -0.73 0.00 -0.06 3.69 -0.00 -0.33 -4.29 115.22 113.50 2jri n HIS 17 Ca 0.12 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.22 2jri n HIS 17 Cb 0.06 -0.31 -0.01 0.00 -0.12 0.00 0.00 29.99 29.61 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri h LEU 19 N 0.09 -0.52 -1.52 0.00 6.46 -1.79 0.88 115.31 118.92 2jri h LEU 19 Ca 0.12 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2jri h LEU 19 Cb 0.14 0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 2jri h LEU 19 CO -0.19 -0.28 -0.16 0.78 -0.62 0.00 0.00 178.44 177.98 2jri h ASN 20 N -0.73 0.11 0.24 1.25 2.35 -1.72 0.67 115.58 117.75 2jri h ASN 20 Ca -0.06 -0.02 -0.29 0.00 -0.55 0.00 0.00 56.30 55.38 2jri h ASN 20 Cb 0.53 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.89 2jri h ASN 20 CO 0.10 0.28 -1.24 0.78 -1.65 0.00 0.00 177.43 175.71 2jri h ASN 21 N 0.11 0.77 -0.26 5.81 -0.26 -0.53 0.15 115.58 121.38 2jri h ASN 21 Ca 0.02 -0.73 -0.07 0.00 -0.56 0.00 0.00 56.30 54.97 2jri h ASN 21 Cb 0.35 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.36 2jri h ASN 21 CO 0.02 1.54 -0.10 0.25 -1.06 0.00 0.00 177.43 178.08 2jri h LEU 22 N 0.23 0.54 -0.56 1.61 7.12 -0.45 -2.89 115.31 120.91 2jri h LEU 22 Ca -0.18 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 57.42 2jri h LEU 22 Cb 1.91 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2jri h LEU 22 CO 0.23 0.81 -0.11 -0.07 -0.13 0.00 0.00 178.44 179.17 2jri h LEU 23 N 0.26 0.00 -1.61 2.25 3.38 -0.96 -3.48 115.31 115.15 2jri h LEU 23 Ca 0.06 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.79 2jri h LEU 23 Cb 0.60 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.46 2jri h LEU 23 CO 0.03 0.11 -0.52 0.00 0.09 0.00 0.00 178.44 178.15 2jri n GLN 24 N -3.16 -4.75 0.00 1.13 1.13 -0.10 -4.74 117.38 106.90 2jri n GLN 24 Ca 0.02 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.67 2jri n GLN 24 Cb 0.48 -4.84 0.00 0.00 0.11 0.00 0.00 30.24 26.00 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 -1.17 1.93 3.58 1.08 0.00 -0.39 -4.68 105.19 105.54 2jri n GLY 25 Ca -0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.00 3.52 0.07 1.61 8.01 -1.26 -4.50 118.70 124.15 2jri s GLU 26 Ca 0.00 0.34 -0.00 0.00 0.01 0.00 0.00 54.97 55.31 2jri s GLU 26 Cb 0.00 -4.01 -0.00 0.00 -4.31 0.00 0.00 34.13 25.81 2jri s GLU 26 CO 0.00 -1.67 -0.01 0.66 0.01 0.00 0.00 175.26 174.25 2jri n TYR 27 N 8.51 0.00 -3.92 1.61 4.01 -1.26 -5.05 117.16 121.06 2jri n TYR 27 Ca 0.10 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.49 2jri n TYR 27 Cb 0.49 -0.01 -0.08 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 -2.01 3.36 0.44 -0.72 0.40 -1.26 -5.11 117.98 113.08 2jri s PHE 28 Ca -0.01 0.25 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 2jri s PHE 28 Cb 0.00 -2.06 0.00 0.00 0.51 0.00 0.00 43.02 41.47 2jri s PHE 28 CO 0.01 0.32 0.64 -1.12 0.70 0.00 0.00 175.22 175.77 2jri s SER 29 N 0.04 5.76 0.30 1.36 0.01 -1.26 -4.92 113.70 114.98 2jri s SER 29 Ca 0.07 0.09 0.06 0.00 1.31 0.00 0.00 55.95 57.48 2jri s SER 29 Cb -0.12 -1.30 0.76 0.00 0.21 0.00 0.00 66.02 65.57 2jri s SER 29 CO 0.00 -0.72 1.75 -0.65 0.41 0.00 0.00 173.24 174.03 2jri h PRO 30 N 0.47 0.62 -0.86 12.44 0.11 -1.99 -0.51 132.00 142.27 2jri h PRO 30 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2jri h PRO 30 Cb 1.26 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 2jri h PRO 30 CO 0.55 0.41 0.43 -0.24 -0.21 0.00 0.00 178.00 178.94 2jri h VAL 31 N 0.63 1.26 -0.38 3.15 3.04 -2.00 -1.50 116.25 120.46 2jri h VAL 31 Ca 0.58 -0.71 -0.07 0.00 -1.01 0.00 0.00 66.70 65.50 2jri h VAL 31 Cb 1.00 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 2jri h VAL 31 CO -0.43 0.31 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.08 2jri h GLU 32 N 1.22 0.68 0.00 4.17 5.08 -1.51 -2.51 114.58 121.72 2jri h GLU 32 Ca 0.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2jri h GLU 32 Cb 0.09 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2jri h GLU 32 CO -0.04 0.80 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.64 2jri h LEU 33 N 0.50 0.00 -0.21 1.33 3.38 -0.98 -1.24 115.31 118.09 2jri h LEU 33 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 2jri h LEU 33 Cb 0.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2jri h LEU 33 CO 0.02 0.06 -0.81 0.28 0.09 0.00 0.00 178.44 178.09 2jri h SER 34 N 0.00 0.78 -0.06 -0.43 0.02 -0.86 -2.69 113.55 110.30 2jri h SER 34 Ca -0.00 -0.53 -0.19 0.00 -0.84 0.00 0.00 61.79 60.22 2jri h SER 34 Cb 0.12 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.44 2jri h SER 34 CO 0.01 1.31 -0.72 0.28 -1.14 0.00 0.00 176.83 176.57 2jri h SER 35 N 0.42 0.74 1.02 3.07 0.02 -1.02 -3.18 113.55 114.63 2jri h SER 35 Ca -0.06 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.20 2jri h SER 35 Cb 1.43 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2jri h SER 35 CO 0.16 1.33 0.00 0.16 -1.14 0.00 0.00 176.83 177.33 2jri h ILE 36 N 0.22 0.00 -0.27 3.27 3.07 -1.33 -3.06 117.51 119.41 2jri h ILE 36 Ca -0.07 -0.49 -0.06 0.00 1.55 0.00 0.00 64.86 65.79 2jri h ILE 36 Cb 1.38 1.45 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 2jri h ILE 36 CO 0.15 0.00 -0.06 0.00 -1.05 0.00 0.00 178.15 177.18 2jri h ALA 37 N 2.04 0.37 0.00 0.16 0.00 -1.45 -2.74 119.26 117.63 2jri h ALA 37 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jri h ALA 37 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jri h ALA 37 CO 0.00 0.17 0.00 1.58 0.00 0.00 0.00 179.25 181.00 2jri n HIS 38 N -4.53 0.13 0.21 0.00 -0.00 -1.16 -1.91 115.22 107.97 2jri n HIS 38 Ca -0.03 0.05 0.09 0.00 0.46 0.00 0.00 57.72 58.29 2jri n HIS 38 Cb 0.31 -0.58 0.43 0.00 -0.12 0.00 0.00 29.99 30.03 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 -0.03 1.57 5.75 -1.54 -2.35 115.11 118.51 2jri h GLN 39 Ca 0.00 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.36 2jri h GLN 39 Cb 0.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 2jri h GLN 39 CO 0.00 0.26 -0.63 -0.07 -2.65 0.00 0.00 178.83 175.74 2jri h LEU 40 N 0.00 0.13 -0.97 -2.39 -0.00 -1.50 -2.70 115.31 107.89 2jri h LEU 40 Ca -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2jri h LEU 40 Cb 0.77 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.34 2jri h LEU 40 CO 0.03 0.73 0.64 -0.78 -0.00 0.00 0.00 178.44 179.06 2jri h ASP 41 N 0.08 1.09 -0.28 -0.43 1.82 -1.33 0.53 116.42 117.91 2jri h ASP 41 Ca -0.01 -0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2jri h ASP 41 Cb 1.13 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.85 2jri h ASP 41 CO 0.09 0.78 0.17 -0.08 -1.61 0.00 0.00 179.24 178.58 2jri h GLU 42 N 1.28 0.34 -0.29 0.28 4.57 -1.40 0.75 114.58 120.11 2jri h GLU 42 Ca 0.37 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.52 2jri h GLU 42 Cb -0.09 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2jri h GLU 42 CO -0.09 0.22 0.14 0.93 -1.18 0.00 0.00 179.01 179.03 2jri h GLU 43 N 0.35 0.43 -0.66 1.92 5.08 -1.16 -1.18 114.58 119.36 2jri h GLU 43 Ca 0.11 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2jri h GLU 43 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2jri h GLU 43 CO -0.04 0.41 0.30 0.93 -1.00 0.00 0.00 179.01 179.61 2jri h GLU 44 N 0.34 0.95 -0.40 2.33 4.39 -0.68 -1.03 114.58 120.47 2jri h GLU 44 Ca 0.10 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2jri h GLU 44 Cb 0.13 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 2jri h GLU 44 CO -0.01 0.75 0.14 -0.09 -1.16 0.00 0.00 179.01 178.63 2jri h ARG 45 N 0.94 0.61 -0.80 2.33 2.43 -0.51 -1.66 114.38 117.71 2jri h ARG 45 Ca 0.23 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2jri h ARG 45 Cb 0.13 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2jri h ARG 45 CO -0.03 0.59 0.52 0.52 -1.51 0.00 0.00 179.97 180.07 2jri h MET 46 N 0.49 1.02 -0.82 0.20 2.86 -0.73 0.20 114.93 118.16 2jri h MET 46 Ca 0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2jri h MET 46 Cb 0.23 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2jri h MET 46 CO -0.01 0.68 0.52 -0.09 1.06 0.00 0.00 176.91 179.07 2jri h ARG 47 N 1.05 1.10 -0.17 1.72 1.12 -0.87 0.82 114.38 119.15 2jri h ARG 47 Ca 0.30 -0.08 -0.21 0.00 -1.11 0.00 0.00 59.98 58.88 2jri h ARG 47 Cb -0.08 -0.24 0.01 0.00 -0.01 0.00 0.00 29.97 29.65 2jri h ARG 47 CO -0.08 0.75 -0.72 0.52 -3.11 0.00 0.00 179.97 177.33 2jri h MET 48 N 1.12 0.75 -0.38 0.20 2.86 -0.65 -1.97 114.93 116.86 2jri h MET 48 Ca 0.30 -0.58 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 2jri h MET 48 Cb -0.08 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2jri h MET 48 CO -0.06 1.20 -0.09 0.00 1.06 0.00 0.00 176.91 179.01 2jri h ALA 49 N 0.65 1.14 -0.00 6.32 0.00 -0.25 -2.28 119.26 124.83 2jri h ALA 49 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jri h ALA 49 Cb 1.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jri h ALA 49 CO 0.15 0.55 -0.19 0.39 0.00 0.00 0.00 179.25 180.14 2jri n GLU 50 N -4.19 0.59 -0.52 0.00 4.71 0.25 -3.15 120.64 118.33 2jri n GLU 50 Ca 0.01 -0.26 0.07 0.00 -0.01 0.00 0.00 57.16 56.97 2jri n GLU 50 Cb 0.33 -1.49 0.18 0.00 -1.01 0.00 0.00 31.44 29.45 2jri n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jri n GLY 51 N 1.34 4.76 0.00 0.62 0.00 -0.75 -4.92 105.19 106.25 2jri n GLY 51 Ca 0.12 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.08 0.41 3.63 -0.02 0.00 -0.98 -4.96 105.19 102.18 2jri n GLY 52 Ca 0.17 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 2jri n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jri s VAL 53 N 0.00 3.23 0.03 1.61 0.11 -1.19 -4.78 120.40 119.42 2jri s VAL 53 Ca 0.00 0.27 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2jri s VAL 53 Cb 0.00 -3.23 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2jri s VAL 53 CO 0.00 -0.08 0.06 0.42 -3.33 0.00 0.00 175.10 172.16 2jri s THR 54 N 5.75 0.14 0.19 5.04 -4.23 -1.26 -5.06 115.64 116.21 2jri s THR 54 Ca 0.86 -1.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 2jri s THR 54 Cb -0.34 -0.84 0.10 0.00 1.34 0.00 0.00 72.50 72.75 2jri s THR 54 CO 0.36 -0.63 1.84 0.28 -0.54 0.00 0.00 174.62 175.93 2jri h SER 55 N 3.81 0.64 0.58 3.99 0.02 -1.95 0.92 113.55 121.55 2jri h SER 55 Ca -0.33 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 2jri h SER 55 Cb 1.18 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.58 2jri h SER 55 CO 0.50 0.45 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.29 2jri h GLU 56 N 0.76 -0.75 0.00 3.45 4.57 -1.98 -2.63 114.58 117.99 2jri h GLU 56 Ca 0.23 0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.42 2jri h GLU 56 Cb -0.03 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2jri h GLU 56 CO -0.08 -0.50 -0.19 -0.44 -1.18 0.00 0.00 179.01 176.63 2jri h ASP 57 N -0.79 0.00 0.00 1.04 3.32 -1.90 -0.51 116.42 117.58 2jri h ASP 57 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2jri h ASP 57 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2jri h ASP 57 CO 0.13 0.19 0.00 0.00 -1.72 0.00 0.00 179.24 177.84 2jri n TYR 58 N -4.13 0.00 -0.02 4.55 9.36 0.31 -1.76 117.16 125.47 2jri n TYR 58 Ca -0.02 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.15 2jri n TYR 58 Cb 0.26 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.95 2jri n TYR 58 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2jri n ARG 59 N -0.87 0.10 -0.27 2.98 0.63 -0.34 -4.09 116.66 114.79 2jri n ARG 59 Ca 0.16 0.04 -0.04 0.00 -0.92 0.00 0.00 57.85 57.08 2jri n ARG 59 Cb 0.07 -0.75 0.10 0.00 0.45 0.00 0.00 32.46 32.33 2jri n ARG 59 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2jri h THR 60 N -0.13 1.25 -0.02 5.15 1.35 -1.21 -1.72 112.91 117.58 2jri h THR 60 Ca -0.11 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2jri h THR 60 Cb 1.11 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2jri h THR 60 CO -0.06 0.31 -0.07 0.49 -0.25 0.00 0.00 175.52 175.94 2jri n PHE 61 N -4.30 0.00 0.08 4.73 3.01 -0.72 -3.47 117.46 116.80 2jri n PHE 61 Ca 0.07 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.38 2jri n PHE 61 Cb 0.16 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.47 2jri n PHE 61 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 2jri h LEU 62 N 2.50 0.38 -3.68 4.37 5.85 -1.47 -3.23 115.31 120.03 2jri h LEU 62 Ca 0.00 -0.46 -0.32 0.00 0.84 0.00 0.00 57.88 57.94 2jri h LEU 62 Cb 0.59 -0.12 -0.19 0.00 0.37 0.00 0.00 40.66 41.31 2jri h LEU 62 CO 0.00 1.37 0.29 1.67 -0.34 0.00 0.00 178.44 181.43 2jri n GLN 63 N -3.48 2.32 -1.67 1.25 7.27 -1.02 -4.96 117.38 117.09 2jri n GLN 63 Ca -0.12 -3.08 -0.43 0.00 0.07 0.00 0.00 57.00 53.44 2jri n GLN 63 Cb 1.03 -2.03 -0.03 0.00 2.41 0.00 0.00 30.24 31.62 2jri n GLN 63 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2jri n GLN 64 N -0.98 2.75 -1.42 3.69 -0.06 -1.22 -4.95 117.38 115.19 2jri n GLN 64 Ca 0.45 1.01 -0.35 0.00 -2.00 0.00 0.00 57.00 56.10 2jri n GLN 64 Cb 1.35 -2.94 0.10 0.00 -4.06 0.00 0.00 30.24 24.69 2jri n GLN 64 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2jri n PRO 65 N 7.24 0.64 0.00 3.69 -0.02 -1.26 -2.73 135.00 142.56 2jri n PRO 65 Ca 0.20 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2jri n PRO 65 Cb 0.39 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 -2.39 0.00 0.21 2.55 7.64 -1.26 -4.51 113.62 115.86 2jri n SER 66 Ca 0.14 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.07 2jri n SER 66 Cb 0.49 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 64.14 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 0.43 0.23 0.00 -1.84 -2.82 103.07 99.08 2jri h GLY 67 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jri h GLY 67 CO 0.00 0.00 -0.02 3.43 0.00 0.00 0.00 176.54 179.95 2jri h ASN 68 N 0.00 -0.04 0.00 0.19 2.35 -1.74 -3.09 115.58 113.25 2jri h ASN 68 Ca -0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2jri h ASN 68 Cb 0.48 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2jri h ASN 68 CO 0.03 0.52 0.00 0.80 -1.65 0.00 0.00 177.43 177.13 2jri n MET 69 N -4.84 0.00 -2.75 0.81 0.00 -1.06 -3.49 117.12 105.78 2jri n MET 69 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2jri n MET 69 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.50 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2jri n ASP 70 N 0.00 0.00 0.04 6.12 2.03 -1.26 -3.98 116.55 119.50 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 0.84 -0.48 1.67 2.03 -1.26 -4.78 116.55 114.56 2jri n ASP 71 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 2jri n ASP 71 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2jri n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jri n SER 72 N -3.28 0.00 -0.18 1.67 7.64 -1.26 -4.92 113.62 113.29 2jri n SER 72 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jri n SER 72 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.10 0.00 0.23 0.00 -1.26 -4.80 105.19 104.26 2jri n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.32 -3.57 -3.65 1.61 3.72 -1.26 -2.27 117.46 111.71 2jri n PHE 74 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 2jri n PHE 74 Cb 0.09 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N -0.88 -1.05 0.82 1.38 0.08 -1.26 -4.80 117.98 112.27 2jri s PHE 75 Ca 0.00 2.00 -0.11 0.00 0.12 0.00 0.00 56.93 58.94 2jri s PHE 75 Cb 0.00 0.59 0.08 0.00 -0.57 0.00 0.00 43.02 43.13 2jri s PHE 75 CO 0.00 -0.53 1.09 -1.12 -0.10 0.00 0.00 175.22 174.56 2jri s SER 76 N 2.04 4.23 0.64 1.36 0.01 -1.26 -4.92 113.70 115.81 2jri s SER 76 Ca -0.08 1.39 0.43 0.00 1.31 0.00 0.00 55.95 59.00 2jri s SER 76 Cb -0.08 -2.12 2.30 0.00 0.21 0.00 0.00 66.02 66.33 2jri s SER 76 CO -0.18 -2.14 2.31 -0.29 0.41 0.00 0.00 173.24 173.34 2jri h ILE 77 N -1.21 0.00 -0.15 1.44 2.10 -1.94 -2.28 117.51 115.47 2jri h ILE 77 Ca -0.47 -0.03 0.04 0.00 1.08 0.00 0.00 64.86 65.48 2jri h ILE 77 Cb 1.27 0.99 -0.01 0.00 -1.09 0.00 0.00 36.82 37.98 2jri h ILE 77 CO 0.57 0.00 0.13 1.56 -1.08 0.00 0.00 178.15 179.34 2jri h GLN 78 N 0.00 0.00 0.00 2.19 7.50 -1.91 -1.05 115.11 121.84 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 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 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 -4.12 0.00 -0.11 -0.54 0.24 -0.86 -3.16 118.33 109.78 2jri n VAL 79 Ca 0.01 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2jri n VAL 79 Cb 0.25 -0.61 -0.09 0.00 -1.47 0.00 0.00 33.84 31.92 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 -0.99 1.21 0.04 1.34 2.08 -0.40 -3.93 119.36 118.71 2jri n ILE 80 Ca 0.18 -0.38 -0.12 0.00 0.56 0.00 0.00 62.75 62.99 2jri n ILE 80 Cb 0.08 -1.53 -0.06 0.00 -0.75 0.00 0.00 39.64 37.37 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 -0.42 -0.07 1.89 4.38 0.02 -1.57 -2.86 113.55 114.92 2jri h SER 81 Ca -0.52 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 2jri h SER 81 Cb 1.60 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 2jri h SER 81 CO -0.21 -0.04 -0.11 -1.13 -1.14 0.00 0.00 176.83 174.20 2jri h ASN 82 N -0.05 0.00 -0.24 3.07 -1.24 -1.81 -3.21 115.58 112.10 2jri h ASN 82 Ca 0.01 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.05 2jri h ASN 82 Cb 0.06 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2jri h ASN 82 CO -0.03 0.08 0.04 0.00 -1.29 0.00 0.00 177.43 176.23 2jri h ALA 83 N 1.92 0.24 0.00 1.57 0.00 -1.62 -1.00 119.26 120.37 2jri h ALA 83 Ca -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2jri h ALA 83 Cb 1.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2jri h ALA 83 CO 0.01 -0.38 -0.73 -0.07 0.00 0.00 0.00 179.25 178.08 2jri h LEU 84 N 0.13 0.00 -0.10 0.00 -0.00 -1.65 -3.22 115.31 110.47 2jri h LEU 84 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2jri h LEU 84 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.77 2jri h LEU 84 CO -0.15 0.73 0.03 0.50 -0.00 0.00 0.00 178.44 179.55 2jri h LYS 85 N 0.00 0.15 0.00 1.13 3.64 -1.41 0.24 116.57 120.32 2jri h LYS 85 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2jri h LYS 85 Cb 1.45 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2jri h LYS 85 CO 0.10 0.29 -0.07 -0.39 -2.27 0.00 0.00 179.45 177.11 2jri h VAL 86 N -0.02 0.24 -0.00 2.00 -1.51 -1.29 -1.01 116.25 114.65 2jri h VAL 86 Ca 0.03 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 2jri h VAL 86 Cb 0.20 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2jri h VAL 86 CO -0.00 0.06 -0.08 0.79 -1.23 0.00 0.00 177.57 177.11 2jri n TRP 87 N -3.28 0.00 -0.46 5.19 7.02 -0.93 -4.90 117.44 120.09 2jri n TRP 87 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 2jri n TRP 87 Cb 0.26 -0.31 0.00 0.00 -2.42 0.00 0.00 31.31 28.85 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 1.36 0.74 3.90 6.99 0.00 -0.38 -5.07 105.19 112.73 2jri n GLY 88 Ca 0.12 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 3.45 -0.07 0.99 2.01 0.81 -4.85 118.68 121.01 2jri s LEU 89 Ca 0.00 -0.68 0.03 0.00 0.01 0.00 0.00 54.13 53.50 2jri s LEU 89 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 46.19 44.04 2jri s LEU 89 CO 0.00 -0.65 -0.18 -0.70 1.01 0.00 0.00 176.35 175.83 2jri s GLU 90 N -4.16 2.17 -0.30 1.70 2.12 -0.66 -3.77 118.70 115.80 2jri s GLU 90 Ca 0.49 -0.63 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 2jri s GLU 90 Cb -0.04 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 2jri s GLU 90 CO 0.29 0.14 0.24 -1.17 -0.54 0.00 0.00 175.26 174.22 2jri s LEU 91 N 0.37 4.17 -0.14 2.70 2.96 -1.26 0.06 118.68 127.54 2jri s LEU 91 Ca -0.13 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2jri s LEU 91 Cb -0.15 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 2jri s LEU 91 CO 0.05 -0.13 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.18 2jri s ILE 92 N 1.82 2.90 -1.10 6.68 -1.09 0.63 -4.95 121.20 126.10 2jri s ILE 92 Ca 0.08 -0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 57.61 2jri s ILE 92 Cb -0.16 -2.23 0.10 0.00 -1.58 0.00 0.00 42.46 38.59 2jri s ILE 92 CO 0.11 0.52 1.43 -0.22 -1.23 0.00 0.00 174.94 175.54 2jri s LEU 93 N 0.58 4.30 0.57 2.97 2.96 -1.26 -0.36 118.68 128.43 2jri s LEU 93 Ca -0.08 -2.14 0.37 0.00 -0.22 0.00 0.00 54.13 52.06 2jri s LEU 93 Cb -0.16 -2.49 1.85 0.00 0.50 0.00 0.00 46.19 45.89 2jri s LEU 93 CO 0.03 -1.16 2.13 0.15 -1.32 0.00 0.00 176.35 176.18 2jri h PHE 94 N 8.52 0.00 0.00 5.38 3.57 -1.16 -2.17 116.94 131.07 2jri h PHE 94 Ca 0.27 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2jri h PHE 94 Cb 0.96 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2jri h PHE 94 CO 1.25 0.00 -0.06 -0.97 -2.23 0.00 0.00 178.31 176.30 2jri h ASN 95 N 0.00 0.00 -3.57 0.41 -1.24 -1.85 -3.24 115.58 106.10 2jri h ASN 95 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jri h ASN 95 Cb 0.20 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 2jri h ASN 95 CO 0.00 0.06 0.34 -0.44 -1.29 0.00 0.00 177.43 176.10 2jri s SER 96 N -5.79 7.49 0.40 1.15 0.01 -0.82 -4.90 113.70 111.25 2jri s SER 96 Ca -0.00 1.78 0.18 0.00 1.31 0.00 0.00 55.95 59.21 2jri s SER 96 Cb 0.10 -2.58 1.08 0.00 0.21 0.00 0.00 66.02 64.84 2jri s SER 96 CO 0.55 -0.04 1.80 -0.65 0.41 0.00 0.00 173.24 175.32 2jri h PRO 97 N 5.46 0.40 0.00 12.44 0.11 -1.88 0.30 132.00 148.83 2jri h PRO 97 Ca -0.43 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 2jri h PRO 97 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2jri h PRO 97 CO 0.71 0.27 -0.20 1.05 -0.21 0.00 0.00 178.00 179.62 2jri h GLU 98 N 0.41 0.00 0.00 1.05 9.09 -1.92 -3.05 114.58 120.17 2jri h GLU 98 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2jri h GLU 98 Cb 1.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.46 2jri h GLU 98 CO -0.25 0.20 -0.71 0.66 0.05 0.00 0.00 179.01 178.96 2jri n TYR 99 N -3.38 0.00 0.80 2.06 4.01 0.32 -4.35 117.16 116.61 2jri n TYR 99 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2jri n TYR 99 Cb 0.41 -0.02 0.48 0.00 -0.31 0.00 0.00 39.34 39.90 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 -1.37 0.06 -1.74 -0.72 7.27 0.81 -3.24 117.38 118.45 2jri n GLN 100 Ca 0.02 0.12 -0.31 0.00 0.07 0.00 0.00 57.00 56.90 2jri n GLN 100 Cb 0.23 -1.50 0.05 0.00 2.41 0.00 0.00 30.24 31.42 2jri n GLN 100 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jri n ARG 101 N -1.46 3.07 0.12 3.69 1.85 -1.25 -4.59 116.66 118.09 2jri n ARG 101 Ca 0.06 -3.72 0.13 0.00 -1.00 0.00 0.00 57.85 53.32 2jri n ARG 101 Cb 0.24 -2.28 0.29 0.00 -1.05 0.00 0.00 32.46 29.66 2jri n ARG 101 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2jri h LEU 102 N 2.25 0.00 -1.28 2.89 8.10 -1.86 -3.48 115.31 121.93 2jri h LEU 102 Ca 0.50 -0.04 -0.38 0.00 0.11 0.00 0.00 57.88 58.06 2jri h LEU 102 Cb 0.95 0.00 0.12 0.00 -0.44 0.00 0.00 40.66 41.29 2jri h LEU 102 CO 1.24 0.02 -0.74 0.54 -4.11 0.00 0.00 178.44 175.39 2jri n ARG 103 N -2.42 -6.87 -4.39 0.17 3.00 -1.26 -5.02 116.66 99.86 2jri n ARG 103 Ca 0.05 0.79 -0.26 0.00 -0.01 0.00 0.00 57.85 58.41 2jri n ARG 103 Cb 0.46 -5.76 -0.09 0.00 0.00 0.00 0.00 32.46 27.06 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 -3.37 2.16 -0.27 0.55 1.01 -1.26 -5.12 121.20 114.89 2jri s ILE 104 Ca 0.30 -1.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.03 2jri s ILE 104 Cb -0.14 -2.99 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2jri s ILE 104 CO 0.75 -0.01 0.04 -0.62 0.00 0.00 0.00 174.94 175.10 2jri s ASP 105 N -3.80 4.86 0.57 3.58 2.15 -1.26 -4.98 116.67 117.79 2jri s ASP 105 Ca 0.38 -0.57 0.25 0.00 0.43 0.00 0.00 52.55 53.04 2jri s ASP 105 Cb 0.07 -1.83 1.63 0.00 -0.30 0.00 0.00 42.92 42.49 2jri s ASP 105 CO 0.20 -0.12 2.21 1.55 -0.17 0.00 0.00 175.17 178.84 2jri h PRO 106 N 8.18 0.00 0.00 4.34 0.13 -1.98 -0.87 132.00 141.80 2jri h PRO 106 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 2jri h PRO 106 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jri h PRO 106 CO 0.60 0.00 -0.44 0.82 -0.23 0.00 0.00 178.00 178.74 2jri h ILE 107 N 0.00 1.17 -0.29 -3.56 2.04 -1.93 -2.49 117.51 112.45 2jri h ILE 107 Ca 0.01 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2jri h ILE 107 Cb 0.06 1.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2jri h ILE 107 CO -0.00 0.43 0.00 -3.20 0.00 0.00 0.00 178.15 175.38 2jri n ASN 108 N -3.80 2.46 -2.70 1.72 5.15 -0.35 -4.93 115.26 112.80 2jri n ASN 108 Ca -0.01 -1.86 -0.10 0.00 -0.60 0.00 0.00 54.58 52.00 2jri n ASN 108 Cb 0.50 -0.19 0.08 0.00 -0.53 0.00 0.00 39.78 39.64 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 0.84 -0.64 -0.03 1.20 -0.58 -0.94 -5.01 120.64 115.48 2jri n GLU 109 Ca 0.17 -0.72 -0.06 0.00 -0.42 0.00 0.00 57.16 56.13 2jri n GLU 109 Cb 0.44 -0.50 -0.02 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 -2.10 0.28 -3.64 3.49 0.00 -1.26 -4.93 116.66 108.50 2jri n ARG 110 Ca 0.06 0.11 -0.06 0.00 -0.00 0.00 0.00 57.85 57.96 2jri n ARG 110 Cb 0.21 -1.00 -0.07 0.00 -0.00 0.00 0.00 32.46 31.60 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 -6.00 -0.80 -0.00 2.89 0.01 -1.26 -2.82 113.70 105.71 2jri s SER 111 Ca -0.16 1.31 0.01 0.00 1.31 0.00 0.00 55.95 58.42 2jri s SER 111 Cb 0.03 1.33 -0.00 0.00 0.21 0.00 0.00 66.02 67.59 2jri s SER 111 CO 0.23 -0.21 -0.02 0.72 0.41 0.00 0.00 173.24 174.37 2jri s PHE 112 N 1.41 0.19 -0.06 2.43 -0.71 -0.97 -1.17 117.98 119.10 2jri s PHE 112 Ca -0.08 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.78 2jri s PHE 112 Cb -0.05 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2jri s PHE 112 CO -0.17 -0.01 -0.13 0.42 -1.34 0.00 0.00 175.22 173.99 2jri s ILE 113 N -0.11 3.14 0.25 -4.49 1.01 -0.05 -2.19 121.20 118.76 2jri s ILE 113 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 60.65 60.06 2jri s ILE 113 Cb -0.01 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2jri s ILE 113 CO -0.00 0.59 -0.16 0.00 0.00 0.00 0.00 174.94 175.36 2jri s ASN 115 N -3.43 0.49 -0.38 0.00 2.20 -1.14 0.70 114.94 113.37 2jri s ASN 115 Ca 0.27 -0.74 0.11 0.00 -0.94 0.00 0.00 52.86 51.56 2jri s ASN 115 Cb -0.02 0.13 0.44 0.00 -2.00 0.00 0.00 41.25 39.80 2jri s ASN 115 CO 0.11 -0.42 1.05 0.00 -2.94 0.00 0.00 177.10 174.91 2jri n TYR 116 N 0.88 2.42 0.00 1.54 9.36 -0.07 -1.60 117.16 129.68 2jri n TYR 116 Ca -0.19 -2.90 0.00 0.00 3.32 0.00 0.00 57.90 58.13 2jri n TYR 116 Cb 0.58 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 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 -0.34 0.00 0.05 2.98 3.00 -1.26 -4.29 118.16 118.30 2jri n LYS 117 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 2jri n LYS 117 Cb 0.75 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 -0.13 0.00 -3.97 1.64 0.00 -1.26 -5.09 120.64 111.82 2jri n GLU 118 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 2jri n GLU 118 Cb 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 31.44 31.11 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 -2.00 3.41 0.10 4.31 3.76 -1.26 -5.11 115.29 118.49 2jri s HIS 119 Ca 0.00 0.13 0.08 0.00 -0.15 0.00 0.00 55.06 55.12 2jri s HIS 119 Cb 0.00 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.99 2jri s HIS 119 CO 0.00 0.54 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.68 2jri s TRP 120 N -1.65 2.57 -0.40 1.40 0.52 -1.26 -0.89 118.94 119.23 2jri s TRP 120 Ca 0.33 -0.24 -0.05 0.00 0.02 0.00 0.00 56.10 56.16 2jri s TRP 120 Cb -0.11 -1.39 0.09 0.00 -1.15 0.00 0.00 33.47 30.91 2jri s TRP 120 CO 0.27 0.36 0.20 -0.06 0.02 0.00 0.00 176.95 177.74 2jri s PHE 121 N -1.10 3.45 -0.45 -1.98 0.40 0.22 -4.78 117.98 113.74 2jri s PHE 121 Ca 0.18 -2.02 -0.27 0.00 -0.60 0.00 0.00 56.93 54.21 2jri s PHE 121 Cb -0.11 -3.01 0.03 0.00 0.51 0.00 0.00 43.02 40.44 2jri s PHE 121 CO 0.09 -0.91 1.02 0.99 0.70 0.00 0.00 175.22 177.11 2jri s THR 122 N 1.26 4.39 -0.41 0.64 2.01 -1.25 -1.65 115.64 120.63 2jri s THR 122 Ca 0.04 1.05 -0.05 0.00 0.31 0.00 0.00 61.69 63.04 2jri s THR 122 Cb -0.23 -4.49 0.10 0.00 0.01 0.00 0.00 72.50 67.90 2jri s THR 122 CO -0.02 -0.84 0.22 -0.69 -0.69 0.00 0.00 174.62 172.60 2jri s VAL 123 N 3.99 3.61 -0.11 3.82 1.01 -0.93 -0.52 120.40 131.26 2jri s VAL 123 Ca 0.42 -1.83 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 2jri s VAL 123 Cb -0.09 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2jri s VAL 123 CO 0.27 -0.62 0.03 -0.60 0.00 0.00 0.00 175.10 174.18 2jri s ARG 124 N 1.24 3.22 0.05 2.72 6.06 -0.74 -2.30 118.95 129.20 2jri s ARG 124 Ca 0.06 -0.35 -0.30 0.00 -2.50 0.00 0.00 55.73 52.63 2jri s ARG 124 Cb -0.23 -2.92 -0.05 0.00 0.06 0.00 0.00 34.95 31.80 2jri s ARG 124 CO -0.02 0.64 1.18 0.21 -2.50 0.00 0.00 175.30 174.81 2jri s LYS 125 N -0.70 4.44 -0.15 5.12 2.36 -1.13 -1.90 119.74 127.79 2jri s LYS 125 Ca 0.11 1.73 -0.00 0.00 -2.55 0.00 0.00 55.97 55.27 2jri s LYS 125 Cb -0.12 -3.37 0.03 0.00 -1.05 0.00 0.00 37.83 33.33 2jri s LYS 125 CO 0.02 -0.25 -0.07 -0.51 1.55 0.00 0.00 175.35 176.09 2jri s LEU 126 N 1.14 1.52 0.00 5.43 1.02 0.12 -4.81 118.68 123.09 2jri s LEU 126 Ca 0.58 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 54.18 2jri s LEU 126 Cb -0.28 -0.92 0.00 0.00 0.02 0.00 0.00 46.19 45.00 2jri s LEU 126 CO 0.29 -0.15 0.00 0.61 0.02 0.00 0.00 176.35 177.11 2jri n GLY 127 N 4.88 0.52 0.00 -3.19 0.00 -1.17 -1.12 105.19 105.11 2jri n GLY 127 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -2.03 1.61 0.00 -1.26 -4.88 118.16 111.60 2jri n LYS 128 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.02 2jri n LYS 128 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 2jri n LYS 128 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2jri s GLN 129 N -0.72 0.85 0.12 1.64 1.11 -0.28 -4.94 119.66 117.44 2jri s GLN 129 Ca 0.00 -0.49 0.08 0.00 0.01 0.00 0.00 55.36 54.95 2jri s GLN 129 Cb 0.00 -1.92 -0.04 0.00 -1.01 0.00 0.00 33.01 30.04 2jri s GLN 129 CO 0.00 -2.24 -0.18 -1.58 0.01 0.00 0.00 175.29 171.30 2jri s TRP 130 N -3.77 1.67 0.00 0.91 0.52 -0.81 0.14 118.94 117.61 2jri s TRP 130 Ca 0.72 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 56.39 2jri s TRP 130 Cb -0.04 -0.89 -0.00 0.00 -1.15 0.00 0.00 33.47 31.39 2jri s TRP 130 CO 0.52 0.22 -0.01 -0.06 0.02 0.00 0.00 176.95 177.63 2jri s PHE 131 N -1.58 0.07 -0.05 -1.98 0.40 -0.80 -1.09 117.98 112.95 2jri s PHE 131 Ca 0.09 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.18 2jri s PHE 131 Cb -0.08 -0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 2jri s PHE 131 CO 0.05 -0.03 0.35 1.21 0.70 0.00 0.00 175.22 177.49 2jri s ASN 132 N -0.27 6.68 -0.25 1.36 2.47 -1.20 -1.78 114.94 121.94 2jri s ASN 132 Ca -0.03 0.81 -0.00 0.00 0.42 0.00 0.00 52.86 54.06 2jri s ASN 132 Cb -0.02 -2.21 0.07 0.00 -1.45 0.00 0.00 41.25 37.65 2jri s ASN 132 CO -0.00 0.30 0.02 -0.76 -3.72 0.00 0.00 177.10 172.94 2jri s LEU 133 N -0.81 2.23 0.04 3.21 1.43 0.32 -3.46 118.68 121.64 2jri s LEU 133 Ca 0.21 -1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.02 2jri s LEU 133 Cb -0.15 -0.96 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 2jri s LEU 133 CO 0.10 -0.32 0.01 0.21 0.23 0.00 0.00 176.35 176.59 2jri s ASN 134 N 1.56 0.34 0.11 2.29 2.47 -1.26 -3.90 114.94 116.54 2jri s ASN 134 Ca 0.01 -0.75 0.18 0.00 0.42 0.00 0.00 52.86 52.72 2jri s ASN 134 Cb -0.18 0.19 0.76 0.00 -1.45 0.00 0.00 41.25 40.57 2jri s ASN 134 CO -0.12 -0.51 1.56 -1.20 -3.72 0.00 0.00 177.10 173.10 2jri n SER 135 N 0.62 0.28 0.00 -4.21 7.64 -1.26 -3.61 113.62 113.08 2jri n SER 135 Ca -0.18 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.27 2jri n SER 135 Cb 0.59 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.81 0.36 -4.61 -3.43 7.94 -1.26 -4.85 117.00 109.34 2jri n LEU 136 Ca 0.03 0.56 -0.39 0.00 -1.11 0.00 0.00 56.01 55.10 2jri n LEU 136 Cb 0.19 -0.41 0.04 0.00 0.53 0.00 0.00 43.42 43.76 2jri n LEU 136 CO 0.16 -0.41 0.55 0.00 -1.11 0.00 0.00 177.39 176.57 2jri n LEU 137 N -1.74 3.20 -2.24 -1.96 -0.00 -1.24 -4.92 117.00 108.10 2jri n LEU 137 Ca 0.00 0.89 -0.31 0.00 -0.00 0.00 0.00 56.01 56.59 2jri n LEU 137 Cb 0.00 -1.37 0.05 0.00 -0.00 0.00 0.00 43.42 42.10 2jri n LEU 137 CO 0.00 -1.74 0.91 1.07 -0.00 0.00 0.00 177.39 177.63 2jri n THR 138 N -1.25 3.15 0.00 1.47 5.66 -1.26 -4.77 114.28 117.28 2jri n THR 138 Ca 0.12 -3.57 0.00 0.00 -3.05 0.00 0.00 64.05 57.55 2jri n THR 138 Cb 0.44 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.06 2jri n THR 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jri n GLY 139 N -0.80 2.64 3.69 1.09 0.00 -1.26 -5.12 105.19 105.42 2jri n GLY 139 Ca 0.54 0.11 -0.50 0.00 0.00 0.00 0.00 46.02 46.17 2jri n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jri n PRO 140 N -0.03 1.96 -2.26 1.61 -0.02 -1.26 -4.91 135.00 130.09 2jri n PRO 140 Ca 0.00 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 2jri n PRO 140 Cb 0.00 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 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 3.72 4.28 -0.21 -0.52 2.02 -1.22 -4.81 118.70 121.95 2jri s GLU 141 Ca 0.93 1.91 -0.29 0.00 0.02 0.00 0.00 54.97 57.54 2jri s GLU 141 Cb -0.77 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 29.81 2jri s GLU 141 CO 0.53 -0.59 1.64 -1.17 0.02 0.00 0.00 175.26 175.70 2jri s LEU 142 N 2.59 3.90 -0.36 1.80 2.96 -1.26 -3.26 118.68 125.04 2jri s LEU 142 Ca 0.62 1.67 -0.02 0.00 -0.22 0.00 0.00 54.13 56.18 2jri s LEU 142 Cb -0.30 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 42.95 2jri s LEU 142 CO 0.25 -1.27 0.11 -0.63 -1.32 0.00 0.00 176.35 173.49 2jri s ILE 143 N 5.26 3.10 0.91 6.68 1.01 -0.25 -5.04 121.20 132.87 2jri s ILE 143 Ca 0.73 -1.82 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 2jri s ILE 143 Cb -0.26 -3.01 0.16 0.00 0.01 0.00 0.00 42.46 39.36 2jri s ILE 143 CO 0.30 -0.46 1.27 -0.44 0.00 0.00 0.00 174.94 175.61 2jri s SER 144 N 1.52 3.60 0.02 3.58 0.01 -1.26 -1.92 113.70 119.25 2jri s SER 144 Ca 0.04 0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.63 2jri s SER 144 Cb -0.21 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 2jri s SER 144 CO -0.03 -2.45 1.17 0.44 0.41 0.00 0.00 173.24 172.78 2jri h ASP 145 N -1.44 -0.41 -0.63 2.44 5.19 -1.99 0.23 116.42 119.81 2jri h ASP 145 Ca -0.45 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2jri h ASP 145 Cb 1.27 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.88 2jri h ASP 145 CO 0.48 -0.21 0.40 0.74 -3.12 0.00 0.00 179.24 177.52 2jri h THR 146 N -0.33 1.17 -0.53 0.35 2.02 -2.01 -1.81 112.91 111.77 2jri h THR 146 Ca -0.02 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 2jri h THR 146 Cb 0.28 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2jri h THR 146 CO -0.00 0.17 0.12 0.22 0.37 0.00 0.00 175.52 176.40 2jri h TYR 147 N 0.87 0.85 -0.65 3.16 3.20 -1.91 -2.47 116.97 120.03 2jri h TYR 147 Ca 0.23 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2jri h TYR 147 Cb -0.06 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 2jri h TYR 147 CO 0.00 0.72 0.24 1.25 -1.64 0.00 0.00 178.16 178.73 2jri h LEU 148 N 0.79 0.88 -0.88 2.82 5.85 0.34 0.39 115.31 125.51 2jri h LEU 148 Ca 0.17 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2jri h LEU 148 Cb 0.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2jri h LEU 148 CO 0.00 0.80 0.57 0.00 -0.34 0.00 0.00 178.44 179.48 2jri h ALA 149 N 1.32 1.11 -0.07 1.25 0.00 -1.21 0.53 119.26 122.19 2jri h ALA 149 Ca 0.22 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 2jri h ALA 149 Cb 0.21 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2jri h ALA 149 CO -0.02 0.52 -0.88 1.25 0.00 0.00 0.00 179.25 180.13 2jri h LEU 150 N 1.19 0.77 -0.32 0.00 5.85 -1.23 -3.04 115.31 118.53 2jri h LEU 150 Ca 0.32 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2jri h LEU 150 Cb -0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.63 2jri h LEU 150 CO -0.07 1.35 0.06 0.15 -0.34 0.00 0.00 178.44 179.59 2jri h PHE 151 N 0.39 0.10 -0.63 1.25 3.57 0.42 0.26 116.94 122.29 2jri h PHE 151 Ca -0.08 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2jri h PHE 151 Cb 1.51 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.21 2jri h PHE 151 CO 0.08 0.02 0.41 -0.07 -2.23 0.00 0.00 178.31 176.51 2jri h LEU 152 N 0.17 0.68 -0.48 0.59 -0.00 -0.95 -2.34 115.31 112.98 2jri h LEU 152 Ca 0.15 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.88 57.94 2jri h LEU 152 Cb 0.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2jri h LEU 152 CO -0.20 0.48 -0.03 0.00 -0.00 0.00 0.00 178.44 178.69 2jri h ALA 153 N 1.25 0.66 -0.56 1.53 0.00 -1.28 -2.82 119.26 118.03 2jri h ALA 153 Ca 0.24 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2jri h ALA 153 Cb -0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 2jri h ALA 153 CO -0.08 0.49 0.20 1.96 0.00 0.00 0.00 179.25 181.82 2jri h GLN 154 N 0.73 0.37 -0.82 0.00 1.08 -0.11 -0.31 115.11 116.05 2jri h GLN 154 Ca 0.13 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2jri h GLN 154 Cb 0.56 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.87 2jri h GLN 154 CO 0.03 0.24 0.39 -0.07 -0.95 0.00 0.00 178.83 178.47 2jri h LEU 155 N 0.38 1.07 -0.35 1.46 3.38 -1.33 0.82 115.31 120.74 2jri h LEU 155 Ca 0.28 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 2jri h LEU 155 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jri h LEU 155 CO -0.29 0.91 -0.01 1.56 0.09 0.00 0.00 178.44 180.71 2jri h GLN 156 N 1.17 0.62 -0.24 1.13 4.20 -1.04 0.57 115.11 121.51 2jri h GLN 156 Ca 0.28 -0.20 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 2jri h GLN 156 Cb 0.13 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jri h GLN 156 CO -0.03 0.74 -0.34 1.96 -0.67 0.00 0.00 178.83 180.48 2jri h GLN 157 N 0.42 0.65 0.78 1.46 4.20 -0.86 -3.32 115.11 118.44 2jri h GLN 157 Ca 0.10 -0.38 -0.04 0.00 0.06 0.00 0.00 58.65 58.39 2jri h GLN 157 Cb 0.46 0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.28 2jri h GLN 157 CO 0.02 1.00 -0.37 1.49 -0.67 0.00 0.00 178.83 180.29 2jri h GLU 158 N 0.35 -1.01 0.00 1.46 4.57 -0.84 -3.48 114.58 115.64 2jri h GLU 158 Ca 0.02 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2jri h GLU 158 Cb 0.93 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2jri h GLU 158 CO 0.08 -0.65 0.00 0.41 -1.18 0.00 0.00 179.01 177.67 2jri n GLY 159 N -1.23 0.11 0.00 1.92 0.00 -0.69 -5.10 105.19 100.21 2jri n GLY 159 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.79 -3.42 1.61 4.02 0.11 -4.81 117.16 111.88 2jri n TYR 160 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 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 2.17 -0.40 7.72 0.01 -0.63 -4.89 113.70 116.68 2jri s SER 161 Ca 0.00 -1.76 -0.29 0.00 1.31 0.00 0.00 55.95 55.22 2jri s SER 161 Cb 0.00 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2jri s SER 161 CO 0.00 -0.31 1.46 -0.63 0.41 0.00 0.00 173.24 174.18 2jri s ILE 162 N 1.40 3.85 -0.50 1.44 1.01 -1.26 -2.91 121.20 124.24 2jri s ILE 162 Ca 0.16 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 2jri s ILE 162 Cb -0.19 -4.12 0.13 0.00 0.01 0.00 0.00 42.46 38.29 2jri s ILE 162 CO -0.06 -0.70 0.36 -0.36 0.00 0.00 0.00 174.94 174.18 2jri s PHE 163 N 5.59 3.46 -0.03 3.97 0.08 0.68 -0.65 117.98 131.08 2jri s PHE 163 Ca 0.64 -2.02 -0.21 0.00 0.12 0.00 0.00 56.93 55.46 2jri s PHE 163 Cb -0.15 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 38.79 2jri s PHE 163 CO 0.32 -0.98 0.61 0.54 -0.10 0.00 0.00 175.22 175.61 2jri s VAL 164 N 1.15 4.96 -0.27 -0.44 0.11 0.51 -0.88 120.40 125.55 2jri s VAL 164 Ca 0.08 1.26 -0.16 0.00 -2.93 0.00 0.00 61.98 60.23 2jri s VAL 164 Cb -0.24 -3.95 -0.03 0.00 -1.53 0.00 0.00 36.38 30.63 2jri s VAL 164 CO -0.02 0.37 0.41 -0.69 -3.33 0.00 0.00 175.10 171.85 2jri s VAL 165 N 0.10 5.14 -0.12 2.04 1.01 -0.31 -0.27 120.40 127.99 2jri s VAL 165 Ca 0.32 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 2jri s VAL 165 Cb -0.18 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2jri s VAL 165 CO 0.17 0.13 0.11 -0.54 0.00 0.00 0.00 175.10 174.97 2jri s LYS 166 N 2.14 3.45 0.00 2.72 -0.14 0.11 -4.25 119.74 123.77 2jri s LYS 166 Ca 0.17 -0.19 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 2jri s LYS 166 Cb -0.16 -3.14 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 2jri s LYS 166 CO 0.10 0.71 0.00 0.41 -0.76 0.00 0.00 175.35 175.80 2jri n GLY 167 N 2.20 0.69 3.27 -3.33 0.00 -1.26 -1.66 105.19 105.10 2jri n GLY 167 Ca -0.19 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 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 4.24 0.04 1.61 1.01 -1.26 -4.90 116.67 113.42 2jri s ASP 168 Ca 0.00 -0.54 0.04 0.00 0.71 0.00 0.00 52.55 52.76 2jri s ASP 168 Cb 0.00 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2jri s ASP 168 CO 0.00 -0.05 -0.05 -0.76 0.21 0.00 0.00 175.17 174.52 2jri s LEU 169 N 1.43 3.27 0.32 1.23 1.02 -1.26 -4.95 118.68 119.73 2jri s LEU 169 Ca 0.04 -0.18 -0.29 0.00 0.02 0.00 0.00 54.13 53.73 2jri s LEU 169 Cb -0.15 -1.94 -0.12 0.00 0.02 0.00 0.00 46.19 43.99 2jri s LEU 169 CO -0.04 0.24 1.33 -0.81 0.02 0.00 0.00 176.35 177.08 2jri n PRO 170 N 1.12 2.15 -3.89 1.29 -0.04 -1.26 -5.00 135.00 129.37 2jri n PRO 170 Ca -0.14 0.76 -0.27 0.00 -0.04 0.00 0.00 63.50 63.81 2jri n PRO 170 Cb 0.52 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 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 6.35 0.15 3.54 -4.77 -1.26 -4.82 116.67 115.70 2jri s ASP 171 Ca 0.58 0.23 0.00 0.00 -3.30 0.00 0.00 52.55 50.06 2jri s ASP 171 Cb -0.58 -1.94 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 2jri s ASP 171 CO 0.60 0.05 0.03 0.00 0.70 0.00 0.00 175.17 176.55 2jri h GLU 173 N 0.00 0.50 0.00 0.00 4.57 -1.91 -2.50 114.58 115.24 2jri h GLU 173 Ca -0.12 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2jri h GLU 173 Cb 0.37 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2jri h GLU 173 CO 0.19 0.68 0.00 0.00 -1.18 0.00 0.00 179.01 178.70 2jri n ALA 174 N -2.48 1.23 -0.06 2.92 0.00 -1.13 -0.84 120.51 120.14 2jri n ALA 174 Ca -0.00 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2jri n ALA 174 Cb 0.38 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 2jri n ALA 174 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jri n ASP 175 N -1.61 0.89 0.07 0.00 2.03 -0.94 -3.40 116.55 113.59 2jri n ASP 175 Ca 0.01 0.16 0.03 0.00 0.52 0.00 0.00 54.79 55.52 2jri n ASP 175 Cb 0.06 0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.58 2jri n ASP 175 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jri h GLN 176 N 0.01 0.00 0.00 -0.67 4.20 -1.30 -3.09 115.11 114.26 2jri h GLN 176 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2jri h GLN 176 Cb 2.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.87 2jri h GLN 176 CO 0.04 0.26 -0.93 1.47 -0.67 0.00 0.00 178.83 179.00 2jri n LEU 177 N -2.91 0.69 -1.68 1.46 -0.00 -0.02 -4.23 117.00 110.30 2jri n LEU 177 Ca -0.05 -0.18 -0.13 0.00 -0.00 0.00 0.00 56.01 55.66 2jri n LEU 177 Cb 0.75 -0.10 0.06 0.00 -0.00 0.00 0.00 43.42 44.13 2jri n LEU 177 CO 0.42 0.13 1.00 0.18 -0.00 0.00 0.00 177.39 179.12 2jri n LEU 178 N -1.70 5.39 -0.41 1.47 7.99 -1.22 -3.87 117.00 124.64 2jri n LEU 178 Ca 0.03 -2.77 0.09 0.00 -0.01 0.00 0.00 56.01 53.35 2jri n LEU 178 Cb 0.38 -0.82 -0.01 0.00 -0.11 0.00 0.00 43.42 42.86 2jri n LEU 178 CO 0.40 0.94 0.27 0.00 -1.51 0.00 0.00 177.39 177.49 2jri n GLN 179 N 0.04 1.46 0.00 3.23 1.13 -1.26 -3.97 117.38 118.01 2jri n GLN 179 Ca 0.27 -0.87 0.00 0.00 -1.94 0.00 0.00 57.00 54.47 2jri n GLN 179 Cb 0.84 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.82 2jri n GLN 179 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jri n MET 180 N -0.12 0.16 -2.79 -1.09 0.00 -1.25 -5.02 117.12 107.00 2jri n MET 180 Ca 0.08 -0.46 -0.43 0.00 0.00 0.00 0.00 57.70 56.88 2jri n MET 180 Cb 0.39 -0.72 -0.04 0.00 0.00 0.00 0.00 33.22 32.85 2jri n MET 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jri s ILE 181 N -0.15 4.51 0.00 3.17 -1.09 -1.26 -5.15 121.20 121.22 2jri s ILE 181 Ca 0.00 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 2jri s ILE 181 Cb 0.00 -4.39 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2jri s ILE 181 CO 0.00 -0.69 0.00 -1.14 -1.23 0.00 0.00 174.94 171.88