#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 -0.33 0.03 4.71 -1.26 -4.89 120.64 118.91 2jri n GLU 2 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 2jri n GLU 2 Cb 0.00 0.00 0.19 0.00 -1.01 0.00 0.00 31.44 30.62 2jri n GLU 2 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 2jri n SER 3 N 0.00 2.74 -4.68 1.62 3.41 -1.26 -4.93 113.62 110.52 2jri n SER 3 Ca 0.00 -2.23 -0.52 0.00 -0.26 0.00 0.00 58.87 55.86 2jri n SER 3 Cb 0.00 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.47 2jri n SER 3 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2jri n ILE 4 N 0.49 0.44 -2.42 -1.33 5.41 -1.26 -4.44 119.36 116.26 2jri n ILE 4 Ca 0.14 -0.10 -0.38 0.00 1.00 0.00 0.00 62.75 63.41 2jri n ILE 4 Cb 0.53 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 2jri n ILE 4 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2jri s PHE 5 N 4.15 2.45 -1.16 1.39 0.08 -1.26 -4.86 117.98 118.77 2jri s PHE 5 Ca 0.96 -0.77 -0.06 0.00 0.12 0.00 0.00 56.93 57.18 2jri s PHE 5 Cb -0.86 -4.53 0.25 0.00 -0.57 0.00 0.00 43.02 37.32 2jri s PHE 5 CO 0.57 -1.73 1.67 1.58 -0.10 0.00 0.00 175.22 177.21 2jri n HIS 6 N 10.25 2.51 -1.95 0.36 -0.00 -1.26 -4.76 115.22 120.36 2jri n HIS 6 Ca 0.43 -2.65 -0.41 0.00 -0.00 0.00 0.00 57.72 55.08 2jri n HIS 6 Cb 0.48 -1.54 -0.02 0.00 -0.00 0.00 0.00 29.99 28.91 2jri n HIS 6 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2jri s GLU 7 N -1.54 4.23 -0.03 1.57 0.41 -1.26 -5.01 118.70 117.07 2jri s GLU 7 Ca 0.35 2.38 0.06 0.00 -0.41 0.00 0.00 54.97 57.34 2jri s GLU 7 Cb 0.07 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.35 2jri s GLU 7 CO 0.06 -0.44 -0.20 0.21 -0.49 0.00 0.00 175.26 174.40 2jri s LYS 8 N -0.85 1.78 0.13 1.61 2.47 -1.26 -4.91 119.74 118.71 2jri s LYS 8 Ca 0.58 -0.71 -0.17 0.00 -1.56 0.00 0.00 55.97 54.11 2jri s LYS 8 Cb -0.43 -1.63 0.04 0.00 -1.46 0.00 0.00 37.83 34.34 2jri s LYS 8 CO 0.48 0.37 0.43 1.14 0.16 0.00 0.00 175.35 177.94 2jri s GLN 9 N -0.29 1.10 0.06 4.03 0.00 -1.26 -5.15 119.66 118.15 2jri s GLN 9 Ca 0.03 -0.67 -0.11 0.00 -0.00 0.00 0.00 55.36 54.62 2jri s GLN 9 Cb -0.09 0.49 0.01 0.00 0.00 0.00 0.00 33.01 33.41 2jri s GLN 9 CO 0.01 -0.44 0.24 -1.21 0.00 0.00 0.00 175.29 173.89 2jri s GLU 10 N -3.78 0.80 -0.19 9.60 2.02 -1.26 -4.90 118.70 120.98 2jri s GLU 10 Ca 0.03 -0.69 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 2jri s GLU 10 Cb 0.01 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.58 2jri s GLU 10 CO -0.12 -0.25 0.22 0.41 0.02 0.00 0.00 175.26 175.54 2jri n GLY 11 N 0.37 -0.80 5.77 -1.39 0.00 -1.26 -4.91 105.19 102.97 2jri n GLY 11 Ca -0.17 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.75 -5.31 -3.09 1.61 7.64 -1.26 -4.91 113.62 107.54 2jri n SER 12 Ca 0.03 0.27 -0.23 0.00 1.01 0.00 0.00 58.87 59.95 2jri n SER 12 Cb 0.29 -0.76 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.54 0.00 -3.43 7.99 -0.56 -4.85 117.00 113.61 2jri n LEU 13 Ca 0.00 -0.31 0.08 0.00 -0.01 0.00 0.00 56.01 55.77 2jri n LEU 13 Cb 0.11 -2.86 0.42 0.00 -0.11 0.00 0.00 43.42 40.98 2jri n LEU 13 CO 0.00 0.24 0.74 0.00 -1.51 0.00 0.00 177.39 176.86 2jri h ALA 15 N 2.78 1.36 -0.14 0.00 0.00 -1.94 -2.23 119.26 119.08 2jri h ALA 15 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 2jri h ALA 15 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2jri h ALA 15 CO 0.00 0.36 0.11 0.94 0.00 0.00 0.00 179.25 180.66 2jri n GLN 16 N -3.96 1.21 0.00 0.00 0.00 -0.98 -3.32 117.38 110.34 2jri n GLN 16 Ca -0.02 -0.45 0.00 0.00 -0.00 0.00 0.00 57.00 56.54 2jri n GLN 16 Cb 0.36 -1.17 0.00 0.00 0.00 0.00 0.00 30.24 29.42 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 0.80 -0.68 -0.20 3.69 -0.00 -0.90 -4.66 115.22 113.27 2jri n HIS 17 Ca 0.09 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.20 2jri n HIS 17 Cb 0.58 0.24 0.03 0.00 -0.12 0.00 0.00 29.99 30.72 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri n LEU 19 N -4.68 2.72 -0.13 0.00 0.00 -1.22 -3.60 117.00 110.08 2jri n LEU 19 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 56.01 56.17 2jri n LEU 19 Cb 0.03 -0.97 0.41 0.00 0.00 0.00 0.00 43.42 42.88 2jri n LEU 19 CO 0.35 0.85 1.20 0.78 0.00 0.00 0.00 177.39 180.57 2jri h ASN 20 N -0.12 0.55 0.73 1.96 4.21 -1.73 0.19 115.58 121.36 2jri h ASN 20 Ca -0.53 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 56.74 2jri h ASN 20 Cb 1.89 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 38.93 2jri h ASN 20 CO -0.07 0.35 -1.39 0.78 -1.29 0.00 0.00 177.43 175.81 2jri h ASN 21 N 0.62 0.00 -0.06 5.81 -0.26 -1.51 -0.54 115.58 119.64 2jri h ASN 21 Ca 0.28 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.99 2jri h ASN 21 Cb 0.31 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.57 2jri h ASN 21 CO -0.09 0.94 -0.09 0.25 -1.06 0.00 0.00 177.43 177.39 2jri h LEU 22 N 0.00 0.19 -0.01 1.61 7.12 -1.39 -3.08 115.31 119.76 2jri h LEU 22 Ca -0.17 -0.52 0.00 0.00 0.13 0.00 0.00 57.88 57.32 2jri h LEU 22 Cb 1.87 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.94 2jri h LEU 22 CO 0.09 0.67 -0.12 0.18 -0.13 0.00 0.00 178.44 179.13 2jri n LEU 23 N -4.68 0.13 -3.13 2.25 4.77 0.58 -4.90 117.00 112.01 2jri n LEU 23 Ca -0.08 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.18 2jri n LEU 23 Cb 0.33 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 2jri n LEU 23 CO 0.37 0.03 0.15 0.00 -1.33 0.00 0.00 177.39 176.61 2jri n GLN 24 N -1.48 -1.83 0.00 3.23 1.13 -0.97 -4.64 117.38 112.82 2jri n GLN 24 Ca 0.07 1.10 0.00 0.00 -1.94 0.00 0.00 57.00 56.23 2jri n GLN 24 Cb 0.33 -5.70 0.00 0.00 0.11 0.00 0.00 30.24 24.98 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 -1.44 3.50 2.73 1.08 0.00 -0.25 -4.75 105.19 106.06 2jri n GLY 25 Ca -0.04 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 2jri n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jri n GLU 26 N -1.21 4.67 0.05 1.61 -0.00 -1.26 -4.47 120.64 120.03 2jri n GLU 26 Ca 0.00 -4.14 -0.20 0.00 -0.00 0.00 0.00 57.16 52.81 2jri n GLU 26 Cb 0.00 -2.60 -0.15 0.00 -0.00 0.00 0.00 31.44 28.69 2jri n GLU 26 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2jri h TYR 27 N 4.89 0.54 -3.20 -1.84 0.05 -1.95 -3.45 116.97 112.02 2jri h TYR 27 Ca 0.46 -0.39 -0.53 0.00 0.05 0.00 0.00 58.73 58.32 2jri h TYR 27 Cb 0.45 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 38.19 2jri h TYR 27 CO 1.31 1.35 0.66 0.12 -1.05 0.00 0.00 178.16 180.54 2jri s PHE 28 N -2.44 3.30 0.20 4.88 5.36 -1.26 -5.03 117.98 123.00 2jri s PHE 28 Ca -0.14 1.14 -0.08 0.00 -0.96 0.00 0.00 56.93 56.89 2jri s PHE 28 Cb 0.01 -3.58 -0.07 0.00 -0.34 0.00 0.00 43.02 39.04 2jri s PHE 28 CO 0.82 -1.91 0.50 -1.12 -1.46 0.00 0.00 175.22 172.05 2jri s SER 29 N 0.78 6.58 0.34 6.13 0.01 -1.26 -4.99 113.70 121.28 2jri s SER 29 Ca 0.60 0.82 0.11 0.00 1.31 0.00 0.00 55.95 58.79 2jri s SER 29 Cb -0.35 -2.18 0.93 0.00 0.21 0.00 0.00 66.02 64.63 2jri s SER 29 CO 0.33 -0.04 1.74 -0.65 0.41 0.00 0.00 173.24 175.03 2jri h PRO 30 N 2.61 0.53 0.00 12.44 0.11 -2.00 0.79 132.00 146.48 2jri h PRO 30 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2jri h PRO 30 Cb 1.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2jri h PRO 30 CO 0.70 0.35 -0.24 -0.24 -0.21 0.00 0.00 178.00 178.37 2jri h VAL 31 N 0.55 1.10 -0.46 3.15 3.04 -2.01 -2.66 116.25 118.95 2jri h VAL 31 Ca 0.63 -0.83 -0.14 0.00 -1.01 0.00 0.00 66.70 65.35 2jri h VAL 31 Cb 1.28 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 2jri h VAL 31 CO -0.43 0.23 -0.25 -0.33 -1.01 0.00 0.00 177.57 175.78 2jri h GLU 32 N 0.00 0.98 -0.36 4.17 5.08 -1.23 -2.45 114.58 120.77 2jri h GLU 32 Ca -0.00 -0.43 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2jri h GLU 32 Cb 0.44 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2jri h GLU 32 CO 0.03 1.10 0.03 -0.07 -1.00 0.00 0.00 179.01 179.11 2jri h LEU 33 N 0.83 -0.08 -0.77 1.33 3.38 -1.38 0.29 115.31 118.91 2jri h LEU 33 Ca 0.10 0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.01 2jri h LEU 33 Cb 0.83 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2jri h LEU 33 CO 0.07 -0.00 -0.59 0.28 0.09 0.00 0.00 178.44 178.29 2jri h SER 34 N 0.14 0.08 -0.04 -0.43 0.02 -1.57 -2.55 113.55 109.19 2jri h SER 34 Ca 0.17 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2jri h SER 34 Cb 0.23 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2jri h SER 34 CO -0.26 0.65 -0.07 0.28 -1.14 0.00 0.00 176.83 176.29 2jri h SER 35 N 0.05 0.13 0.44 3.07 0.02 -0.80 -2.66 113.55 113.80 2jri h SER 35 Ca -0.01 -0.55 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 2jri h SER 35 Cb 1.06 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2jri h SER 35 CO 0.08 0.66 -0.22 0.16 -1.14 0.00 0.00 176.83 176.37 2jri h ILE 36 N -0.40 0.82 -0.35 3.27 3.07 -0.50 -1.42 117.51 122.00 2jri h ILE 36 Ca 0.00 -0.86 -0.12 0.00 1.55 0.00 0.00 64.86 65.43 2jri h ILE 36 Cb 0.64 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.69 2jri h ILE 36 CO 0.02 0.21 -0.26 0.00 -1.05 0.00 0.00 178.15 177.07 2jri h ALA 37 N 1.78 0.50 0.00 0.16 0.00 -1.42 -2.83 119.26 117.46 2jri h ALA 37 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jri h ALA 37 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2jri h ALA 37 CO 0.03 0.51 -0.01 1.58 0.00 0.00 0.00 179.25 181.36 2jri n HIS 38 N -4.22 0.07 0.30 0.00 -0.00 -0.93 -2.98 115.22 107.45 2jri n HIS 38 Ca -0.03 0.02 0.18 0.00 0.46 0.00 0.00 57.72 58.35 2jri n HIS 38 Cb 0.46 -0.53 0.76 0.00 -0.12 0.00 0.00 29.99 30.57 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 0.01 1.57 5.75 -1.00 -1.32 115.11 120.11 2jri h GLN 39 Ca 0.00 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 2jri h GLN 39 Cb 0.52 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 2jri h GLN 39 CO 0.00 0.00 -0.87 -0.07 -2.65 0.00 0.00 178.83 175.24 2jri h LEU 40 N 0.00 0.14 -0.65 -2.39 -0.00 -1.64 -2.97 115.31 107.81 2jri h LEU 40 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.73 2jri h LEU 40 Cb 0.39 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.97 2jri h LEU 40 CO 0.00 0.94 0.28 -0.78 -0.00 0.00 0.00 178.44 178.88 2jri h ASP 41 N 0.06 0.88 -0.48 -0.43 3.58 -1.37 0.67 116.42 119.32 2jri h ASP 41 Ca -0.03 -0.16 -0.05 0.00 0.42 0.00 0.00 57.03 57.21 2jri h ASP 41 Cb 1.51 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2jri h ASP 41 CO 0.12 0.79 0.13 -0.08 -2.88 0.00 0.00 179.24 177.32 2jri h GLU 42 N 0.90 0.83 -0.42 0.28 4.57 -1.52 0.38 114.58 119.60 2jri h GLU 42 Ca 0.22 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.15 2jri h GLU 42 Cb 0.18 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2jri h GLU 42 CO -0.02 0.75 -0.06 1.49 -1.18 0.00 0.00 179.01 179.99 2jri h GLU 43 N 0.80 0.78 -0.25 1.92 4.81 -1.23 -2.14 114.58 119.27 2jri h GLU 43 Ca 0.18 -0.28 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 2jri h GLU 43 Cb 0.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2jri h GLU 43 CO -0.00 0.88 -0.30 0.93 -0.73 0.00 0.00 179.01 179.79 2jri h GLU 44 N 0.60 0.50 -0.92 1.92 4.39 -0.37 -2.66 114.58 118.04 2jri h GLU 44 Ca 0.11 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2jri h GLU 44 Cb 0.57 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 2jri h GLU 44 CO 0.03 0.75 0.61 -0.09 -1.16 0.00 0.00 179.01 179.15 2jri h ARG 45 N 0.44 1.19 -0.54 2.33 2.43 0.01 0.18 114.38 120.41 2jri h ARG 45 Ca 0.06 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2jri h ARG 45 Cb 0.74 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 2jri h ARG 45 CO 0.06 0.79 0.06 0.52 -1.51 0.00 0.00 179.97 179.88 2jri h MET 46 N 1.22 0.88 -0.49 0.20 2.86 -1.09 0.53 114.93 119.05 2jri h MET 46 Ca 0.35 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 2jri h MET 46 Cb -0.10 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2jri h MET 46 CO -0.09 0.85 -0.17 -0.09 1.06 0.00 0.00 176.91 178.47 2jri h ARG 47 N 0.83 0.98 0.00 1.72 1.12 -0.97 -2.70 114.38 115.36 2jri h ARG 47 Ca 0.17 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 2jri h ARG 47 Cb 0.42 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 2jri h ARG 47 CO 0.01 1.07 0.00 0.52 -3.11 0.00 0.00 179.97 178.47 2jri h MET 48 N 0.83 0.00 -0.23 0.20 2.86 -0.31 0.46 114.93 118.75 2jri h MET 48 Ca 0.12 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.57 2jri h MET 48 Cb 0.75 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2jri h MET 48 CO 0.06 0.00 -0.59 0.00 1.06 0.00 0.00 176.91 177.43 2jri h ALA 49 N 2.03 0.51 0.10 6.32 0.00 -0.57 -3.30 119.26 124.35 2jri h ALA 49 Ca 0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 54.91 54.04 2jri h ALA 49 Cb 0.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jri h ALA 49 CO 0.00 0.69 -1.80 1.05 0.00 0.00 0.00 179.25 179.19 2jri h GLU 50 N 0.56 0.20 -4.50 0.00 4.11 -1.39 -3.46 114.58 110.11 2jri h GLU 50 Ca -0.00 -0.35 -0.55 0.00 0.07 0.00 0.00 59.36 58.53 2jri h GLU 50 Cb 1.19 0.13 -0.35 0.00 0.50 0.00 0.00 28.75 30.21 2jri h GLU 50 CO 0.12 1.01 -0.82 0.20 0.07 0.00 0.00 179.01 179.60 2jri s GLY 51 N -5.29 0.93 0.00 1.06 0.00 0.14 -4.88 107.32 99.28 2jri s GLY 51 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2jri s GLY 51 CO 0.81 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.99 2jri n GLY 52 N 4.49 0.46 0.26 0.20 0.00 -1.26 -3.79 105.19 105.55 2jri n GLY 52 Ca -0.17 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.17 2jri n GLY 52 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jri h VAL 53 N 0.00 0.51 -1.89 1.61 -1.51 -1.90 -3.40 116.25 109.67 2jri h VAL 53 Ca 0.00 -0.66 -0.61 0.00 -1.23 0.00 0.00 66.70 64.20 2jri h VAL 53 Cb 0.00 1.44 0.01 0.00 -2.13 0.00 0.00 31.29 30.61 2jri h VAL 53 CO 0.00 0.13 1.26 0.41 -1.23 0.00 0.00 177.57 178.15 2jri n THR 54 N -3.52 0.48 -0.20 7.19 -1.04 -1.26 -4.86 114.28 111.07 2jri n THR 54 Ca -0.01 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.05 61.77 2jri n THR 54 Cb 0.28 -2.05 0.10 0.00 -1.82 0.00 0.00 70.33 66.85 2jri n THR 54 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2jri h SER 55 N 11.30 0.26 0.24 8.00 4.64 -1.99 0.15 113.55 136.15 2jri h SER 55 Ca -0.43 0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 60.95 2jri h SER 55 Cb 1.27 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2jri h SER 55 CO 0.96 0.16 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.64 2jri h GLU 56 N 0.43 -0.31 -0.57 4.77 3.07 -1.96 -0.61 114.58 119.40 2jri h GLU 56 Ca 0.30 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 59.19 2jri h GLU 56 Cb 0.34 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2jri h GLU 56 CO -0.28 -0.14 0.37 0.22 -1.40 0.00 0.00 179.01 177.77 2jri h ASP 57 N -0.40 0.63 -0.33 1.42 3.58 -1.84 0.39 116.42 119.87 2jri h ASP 57 Ca -0.03 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.43 2jri h ASP 57 Cb 0.31 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 2jri h ASP 57 CO 0.05 0.45 0.17 0.22 -2.88 0.00 0.00 179.24 177.25 2jri h TYR 58 N 0.75 0.31 -0.62 0.28 3.20 -0.56 0.44 116.97 120.76 2jri h TYR 58 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 2jri h TYR 58 Cb -0.06 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2jri h TYR 58 CO -0.04 0.17 0.07 0.00 -1.64 0.00 0.00 178.16 176.72 2jri h ARG 59 N 0.34 1.05 0.00 1.82 3.08 -0.69 -0.08 114.38 119.90 2jri h ARG 59 Ca 0.14 -0.29 -0.09 0.00 0.07 0.00 0.00 59.98 59.81 2jri h ARG 59 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2jri h ARG 59 CO -0.09 0.99 -0.41 1.79 -1.07 0.00 0.00 179.97 181.18 2jri h THR 60 N 0.95 1.21 0.00 2.04 1.35 -0.54 -1.97 112.91 115.96 2jri h THR 60 Ca 0.19 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.50 2jri h THR 60 Cb 0.47 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 2jri h THR 60 CO 0.02 0.40 -0.81 -0.26 -0.25 0.00 0.00 175.52 174.61 2jri h PHE 61 N 0.00 0.00 0.00 4.73 -1.00 -0.61 -2.15 116.94 117.91 2jri h PHE 61 Ca -0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2jri h PHE 61 Cb 0.76 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 2jri h PHE 61 CO 0.00 0.50 -0.28 1.25 -1.61 0.00 0.00 178.31 178.17 2jri h LEU 62 N 0.00 0.00 -3.26 1.54 5.85 -0.71 -2.92 115.31 115.81 2jri h LEU 62 Ca -0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2jri h LEU 62 Cb 1.43 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.41 2jri h LEU 62 CO 0.06 0.28 -0.05 1.67 -0.34 0.00 0.00 178.44 180.05 2jri n GLN 63 N -3.24 2.21 -1.72 1.25 7.27 -0.77 -4.85 117.38 117.53 2jri n GLN 63 Ca 0.02 -2.97 -0.43 0.00 0.07 0.00 0.00 57.00 53.69 2jri n GLN 63 Cb 0.57 -1.78 -0.02 0.00 2.41 0.00 0.00 30.24 31.41 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 -0.91 2.60 -1.66 3.69 -0.06 -0.81 -4.89 117.38 115.34 2jri n GLN 64 Ca 0.26 0.93 -0.44 0.00 -2.00 0.00 0.00 57.00 55.75 2jri n GLN 64 Cb 0.92 -2.72 -0.01 0.00 -4.06 0.00 0.00 30.24 24.36 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 2.85 1.89 0.00 3.69 -0.02 -1.26 -1.47 135.00 140.69 2jri n PRO 65 Ca 0.12 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2jri n PRO 65 Cb 0.35 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 1.22 0.00 -0.05 2.55 7.64 -1.26 -4.71 113.62 119.00 2jri n SER 66 Ca 0.08 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.93 2jri n SER 66 Cb 0.34 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.75 2jri n SER 66 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jri h GLY 67 N 0.00 0.70 0.87 0.23 0.00 -1.57 -2.70 103.07 100.60 2jri h GLY 67 Ca 0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2jri h GLY 67 CO 0.00 0.43 -0.17 3.43 0.00 0.00 0.00 176.54 180.23 2jri h ASN 68 N 0.61 0.57 0.00 0.19 2.35 -1.82 -3.35 115.58 114.13 2jri h ASN 68 Ca 0.12 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2jri h ASN 68 Cb 0.44 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2jri h ASN 68 CO 0.02 0.89 0.00 0.80 -1.65 0.00 0.00 177.43 177.49 2jri n MET 69 N -4.44 0.00 0.00 0.81 1.56 -1.02 -4.23 117.12 109.80 2jri n MET 69 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 2jri n MET 69 Cb 0.38 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.75 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jri n ASP 70 N 0.00 0.00 0.12 6.12 2.03 -1.26 -3.40 116.55 120.15 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 -2.11 0.00 1.67 2.03 -1.26 -4.39 116.55 112.49 2jri n ASP 71 Ca 0.00 0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2jri n ASP 71 Cb 0.00 2.19 0.00 0.00 -0.72 0.00 0.00 41.12 42.59 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 -3.18 0.00 -0.69 1.67 7.64 -1.26 -4.94 113.62 112.86 2jri n SER 72 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2jri n SER 72 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 1.03 0.45 0.23 0.00 -1.26 -4.86 105.19 105.79 2jri n GLY 73 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 0.19 -3.43 -3.69 1.61 3.72 -1.26 -1.50 117.46 113.11 2jri n PHE 74 Ca 0.08 -0.20 -0.10 0.00 -0.05 0.00 0.00 57.45 57.18 2jri n PHE 74 Cb 0.37 -0.09 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.32 -0.63 1.05 1.38 0.08 -1.26 -4.75 117.98 113.52 2jri s PHE 75 Ca 0.08 1.35 -0.18 0.00 0.12 0.00 0.00 56.93 58.30 2jri s PHE 75 Cb -0.00 0.29 0.24 0.00 -0.57 0.00 0.00 43.02 42.98 2jri s PHE 75 CO 0.05 -0.35 1.27 -1.12 -0.10 0.00 0.00 175.22 174.97 2jri s SER 76 N 1.38 2.28 0.00 1.36 0.01 -1.22 -4.91 113.70 112.60 2jri s SER 76 Ca -0.09 0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2jri s SER 76 Cb -0.08 -0.35 0.18 0.00 0.21 0.00 0.00 66.02 65.98 2jri s SER 76 CO -0.13 -3.26 1.12 0.00 0.41 0.00 0.00 173.24 171.38 2jri n ILE 77 N -4.12 1.64 0.23 1.44 3.06 -1.26 -2.34 119.36 118.00 2jri n ILE 77 Ca 0.16 0.41 0.07 0.00 -2.50 0.00 0.00 62.75 60.88 2jri n ILE 77 Cb 0.59 -1.34 0.58 0.00 0.54 0.00 0.00 39.64 40.01 2jri n ILE 77 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2jri h GLN 78 N 0.00 0.03 -1.50 9.51 7.50 -1.90 -2.48 115.11 126.26 2jri h GLN 78 Ca 0.00 -0.00 -0.16 0.00 0.50 0.00 0.00 58.65 58.99 2jri h GLN 78 Cb 0.07 -0.01 -0.07 0.00 0.05 0.00 0.00 27.48 27.52 2jri h GLN 78 CO 0.00 0.09 0.20 1.33 -1.50 0.00 0.00 178.83 178.95 2jri n VAL 79 N -4.46 2.12 0.06 -0.54 0.24 -0.99 -3.15 118.33 111.62 2jri n VAL 79 Ca -0.03 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 2jri n VAL 79 Cb 0.15 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.28 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 0.63 0.04 -0.15 1.34 2.08 -0.94 -4.63 119.36 117.74 2jri n ILE 80 Ca 0.15 0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.39 2jri n ILE 80 Cb 0.62 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 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 0.00 0.59 1.67 4.38 0.02 -1.69 -2.76 113.55 115.76 2jri h SER 81 Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2jri h SER 81 Cb 0.00 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2jri h SER 81 CO 0.00 0.57 -0.33 -1.13 -1.14 0.00 0.00 176.83 174.79 2jri h ASN 82 N 0.57 0.00 -0.57 3.07 -1.24 -1.83 -3.18 115.58 112.40 2jri h ASN 82 Ca 0.15 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.17 2jri h ASN 82 Cb 0.15 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2jri h ASN 82 CO -0.02 0.10 0.38 0.00 -1.29 0.00 0.00 177.43 176.60 2jri h ALA 83 N 1.90 1.61 0.01 1.57 0.00 -1.62 -1.06 119.26 121.67 2jri h ALA 83 Ca -0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 2jri h ALA 83 Cb 1.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2jri h ALA 83 CO 0.01 0.36 -1.64 -0.07 0.00 0.00 0.00 179.25 177.90 2jri h LEU 84 N 0.76 0.04 -0.70 0.00 -0.00 -1.62 -3.37 115.31 110.42 2jri h LEU 84 Ca 0.21 -0.08 -0.06 0.00 -0.00 0.00 0.00 57.88 57.96 2jri h LEU 84 Cb -0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2jri h LEU 84 CO -0.05 1.07 0.21 0.50 -0.00 0.00 0.00 178.44 180.17 2jri h LYS 85 N 0.01 1.09 0.00 1.13 3.64 -1.40 0.24 116.57 121.28 2jri h LYS 85 Ca -0.26 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2jri h LYS 85 Cb 1.99 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 2jri h LYS 85 CO 0.09 0.95 -0.08 -0.39 -2.27 0.00 0.00 179.45 177.75 2jri h VAL 86 N 1.03 0.38 -0.00 2.00 -1.51 -1.37 -0.65 116.25 116.13 2jri h VAL 86 Ca 0.22 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2jri h VAL 86 Cb 0.32 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.79 2jri h VAL 86 CO -0.00 0.08 -0.37 0.79 -1.23 0.00 0.00 177.57 176.83 2jri n TRP 87 N -3.47 0.00 -0.37 5.19 7.02 -0.86 -4.92 117.44 120.03 2jri n TRP 87 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2jri n TRP 87 Cb 0.22 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 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 1.43 0.77 2.78 6.99 0.00 -0.25 -5.09 105.19 111.82 2jri n GLY 88 Ca 0.08 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 2jri n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jri n LEU 89 N 0.00 0.00 -4.11 0.99 7.99 0.02 -4.96 117.00 116.93 2jri n LEU 89 Ca 0.00 -1.93 -0.16 0.00 -0.01 0.00 0.00 56.01 53.91 2jri n LEU 89 Cb 0.00 -0.17 -0.12 0.00 -0.11 0.00 0.00 43.42 43.02 2jri n LEU 89 CO 0.00 -0.58 -0.43 -0.70 -1.51 0.00 0.00 177.39 174.17 2jri s GLU 90 N -3.76 0.68 -0.16 3.23 2.12 -0.85 -4.04 118.70 115.91 2jri s GLU 90 Ca 0.34 -0.82 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2jri s GLU 90 Cb -0.03 -0.58 0.02 0.00 0.26 0.00 0.00 34.13 33.81 2jri s GLU 90 CO 0.21 0.12 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.73 2jri s LEU 91 N -1.56 1.81 -0.18 2.70 2.96 -1.26 -0.20 118.68 122.95 2jri s LEU 91 Ca -0.05 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2jri s LEU 91 Cb -0.10 -1.26 -0.00 0.00 0.50 0.00 0.00 46.19 45.33 2jri s LEU 91 CO 0.01 -0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.27 2jri s ILE 92 N 1.43 3.00 -1.05 6.68 -1.09 0.11 -4.95 121.20 125.32 2jri s ILE 92 Ca 0.05 -0.64 -0.22 0.00 -2.23 0.00 0.00 60.65 57.60 2jri s ILE 92 Cb -0.13 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.48 2jri s ILE 92 CO -0.11 0.48 1.55 -0.22 -1.23 0.00 0.00 174.94 175.41 2jri s LEU 93 N 1.05 3.50 0.32 2.97 2.96 -1.26 -0.15 118.68 128.07 2jri s LEU 93 Ca -0.00 -1.51 0.24 0.00 -0.22 0.00 0.00 54.13 52.64 2jri s LEU 93 Cb -0.15 -2.57 1.15 0.00 0.50 0.00 0.00 46.19 45.12 2jri s LEU 93 CO -0.02 -1.63 1.73 0.15 -1.32 0.00 0.00 176.35 175.26 2jri h PHE 94 N 9.65 0.00 0.00 5.38 3.57 -0.98 -2.12 116.94 132.44 2jri h PHE 94 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2jri h PHE 94 Cb 0.99 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.73 2jri h PHE 94 CO 1.29 0.00 0.00 -0.97 -2.23 0.00 0.00 178.31 176.40 2jri h ASN 95 N 0.00 0.00 -3.44 0.41 -1.24 -1.84 -3.26 115.58 106.21 2jri h ASN 95 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2jri h ASN 95 Cb 0.18 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.20 2jri h ASN 95 CO 0.00 0.00 0.23 -0.44 -1.29 0.00 0.00 177.43 175.93 2jri s SER 96 N -5.74 7.26 0.44 1.15 0.01 -0.80 -4.89 113.70 111.14 2jri s SER 96 Ca 0.03 1.52 0.26 0.00 1.31 0.00 0.00 55.95 59.07 2jri s SER 96 Cb 0.08 -2.50 1.29 0.00 0.21 0.00 0.00 66.02 65.09 2jri s SER 96 CO 0.57 -0.07 1.75 -0.65 0.41 0.00 0.00 173.24 175.25 2jri h PRO 97 N 6.04 0.22 0.00 12.44 0.11 -1.88 0.40 132.00 149.33 2jri h PRO 97 Ca -0.43 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 2jri h PRO 97 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2jri h PRO 97 CO 0.73 0.15 -0.39 1.05 -0.21 0.00 0.00 178.00 179.32 2jri h GLU 98 N 0.23 0.00 0.00 1.05 9.09 -1.92 -3.01 114.58 120.02 2jri h GLU 98 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 2jri h GLU 98 Cb 1.94 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.04 2jri h GLU 98 CO -0.24 0.39 -1.17 0.66 0.05 0.00 0.00 179.01 178.70 2jri n TYR 99 N -3.95 0.00 1.05 2.06 4.01 0.61 -4.35 117.16 116.59 2jri n TYR 99 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2jri n TYR 99 Cb 0.44 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.66 1.08 -1.68 -0.72 7.27 0.11 -3.19 117.38 118.60 2jri n GLN 100 Ca 0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 57.00 57.00 2jri n GLN 100 Cb 0.34 -1.47 0.07 0.00 2.41 0.00 0.00 30.24 31.60 2jri n GLN 100 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jri n ARG 101 N -0.03 1.38 0.17 3.69 1.85 -1.25 -4.80 116.66 117.67 2jri n ARG 101 Ca 0.01 -3.03 0.05 0.00 -1.00 0.00 0.00 57.85 53.88 2jri n ARG 101 Cb 0.25 -1.15 0.20 0.00 -1.05 0.00 0.00 32.46 30.71 2jri n ARG 101 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2jri h LEU 102 N 1.57 0.00 2.58 2.89 8.10 -1.86 -3.47 115.31 125.12 2jri h LEU 102 Ca -0.06 0.00 -0.40 0.00 0.11 0.00 0.00 57.88 57.54 2jri h LEU 102 Cb 1.47 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.65 2jri h LEU 102 CO 0.20 0.41 -0.48 0.54 -4.11 0.00 0.00 178.44 175.00 2jri n ARG 103 N -3.34 -1.69 -4.00 0.17 3.00 -1.26 -4.97 116.66 104.57 2jri n ARG 103 Ca 0.01 1.00 -0.35 0.00 -0.01 0.00 0.00 57.85 58.50 2jri n ARG 103 Cb 0.61 -5.61 -0.12 0.00 0.00 0.00 0.00 32.46 27.34 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 -2.94 4.31 -0.01 0.55 1.01 -1.26 -5.06 121.20 117.80 2jri s ILE 104 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 60.65 60.10 2jri s ILE 104 Cb 0.00 -2.96 -0.14 0.00 0.01 0.00 0.00 42.46 39.37 2jri s ILE 104 CO 0.00 0.42 1.67 -0.67 0.00 0.00 0.00 174.94 176.36 2jri n ASP 105 N 4.16 2.86 0.18 3.58 2.03 -1.26 -4.87 116.55 123.22 2jri n ASP 105 Ca -0.17 1.05 0.14 0.00 0.52 0.00 0.00 54.79 56.33 2jri n ASP 105 Cb 0.52 -1.32 0.52 0.00 -0.72 0.00 0.00 41.12 40.12 2jri n ASP 105 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jri h PRO 106 N 7.04 0.00 0.00 -0.67 0.13 -1.97 -2.90 132.00 133.63 2jri h PRO 106 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 2jri h PRO 106 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2jri h PRO 106 CO 0.90 0.00 -0.65 0.82 -0.23 0.00 0.00 178.00 178.84 2jri h ILE 107 N 0.00 1.28 -0.00 -3.56 2.04 -1.93 -2.82 117.51 112.52 2jri h ILE 107 Ca 0.00 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.49 2jri h ILE 107 Cb 0.51 2.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2jri h ILE 107 CO 0.00 0.64 -0.00 -3.20 0.00 0.00 0.00 178.15 175.58 2jri n ASN 108 N -3.50 0.08 -3.61 1.72 5.15 -1.09 -4.85 115.26 109.16 2jri n ASN 108 Ca -0.00 -0.83 -0.26 0.00 -0.60 0.00 0.00 54.58 52.89 2jri n ASN 108 Cb 0.71 -0.06 0.20 0.00 -0.53 0.00 0.00 39.78 40.09 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 -1.01 -1.72 -0.00 1.20 -0.58 -1.07 -5.04 120.64 112.42 2jri n GLU 109 Ca 0.21 -1.74 -0.00 0.00 -0.42 0.00 0.00 57.16 55.21 2jri n GLU 109 Cb 0.15 -1.29 -0.00 0.00 -0.57 0.00 0.00 31.44 29.73 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 -3.81 1.16 -3.86 3.49 0.00 -1.26 -4.89 116.66 107.48 2jri n ARG 110 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.90 2jri n ARG 110 Cb 0.52 -1.02 0.01 0.00 -0.00 0.00 0.00 32.46 31.97 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 -3.78 0.14 0.00 2.89 0.01 -1.26 -2.84 113.70 108.86 2jri s SER 111 Ca -0.01 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2jri s SER 111 Cb 0.00 0.81 0.00 0.00 0.21 0.00 0.00 66.02 67.04 2jri s SER 111 CO 0.02 -1.60 0.00 2.22 0.41 0.00 0.00 173.24 174.29 2jri n PHE 112 N -0.53 0.00 -3.66 2.43 1.16 -1.21 -2.44 117.46 113.21 2jri n PHE 112 Ca -0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.45 2jri n PHE 112 Cb 0.60 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.40 2jri n PHE 112 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2jri s ILE 113 N -2.00 -0.32 -0.02 1.97 -4.36 0.45 -3.41 121.20 113.49 2jri s ILE 113 Ca 0.00 0.05 0.06 0.00 -0.26 0.00 0.00 60.65 60.49 2jri s ILE 113 Cb 0.00 -0.86 -0.03 0.00 1.25 0.00 0.00 42.46 42.82 2jri s ILE 113 CO 0.00 0.02 -0.19 0.00 0.24 0.00 0.00 174.94 175.01 2jri s ASN 115 N -0.82 2.97 -0.42 0.00 2.20 -1.06 0.65 114.94 118.46 2jri s ASN 115 Ca 0.12 -0.76 0.07 0.00 -0.94 0.00 0.00 52.86 51.35 2jri s ASN 115 Cb -0.10 -0.19 0.42 0.00 -2.00 0.00 0.00 41.25 39.38 2jri s ASN 115 CO 0.01 0.10 1.07 0.00 -2.94 0.00 0.00 177.10 175.34 2jri n TYR 116 N 0.79 3.01 0.00 1.54 9.36 0.26 -1.64 117.16 130.47 2jri n TYR 116 Ca -0.17 -3.09 0.00 0.00 3.32 0.00 0.00 57.90 57.96 2jri n TYR 116 Cb 0.54 -0.15 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 -0.39 0.00 0.00 2.98 3.00 -1.26 -4.21 118.16 118.27 2jri n LYS 117 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.64 2jri n LYS 117 Cb 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 35.03 35.50 2jri n LYS 117 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jri n GLU 118 N 0.00 0.00 -3.84 1.64 2.13 -1.26 -5.10 120.64 114.21 2jri n GLU 118 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2jri n GLU 118 Cb 0.00 -0.19 -0.04 0.00 0.27 0.00 0.00 31.44 31.48 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2jri s HIS 119 N -1.95 3.50 0.31 4.31 3.76 -1.26 -5.11 115.29 118.85 2jri s HIS 119 Ca 0.00 0.32 0.11 0.00 -0.15 0.00 0.00 55.06 55.33 2jri s HIS 119 Cb 0.00 -1.82 -0.06 0.00 1.11 0.00 0.00 32.58 31.82 2jri s HIS 119 CO 0.00 0.52 -0.12 -1.58 -0.85 0.00 0.00 174.74 172.71 2jri s TRP 120 N -1.61 2.39 -0.38 1.40 0.52 -1.26 -0.57 118.94 119.42 2jri s TRP 120 Ca 0.37 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 56.12 2jri s TRP 120 Cb -0.12 -1.20 0.11 0.00 -1.15 0.00 0.00 33.47 31.10 2jri s TRP 120 CO 0.27 0.64 0.13 -0.06 0.02 0.00 0.00 176.95 177.95 2jri s PHE 121 N -2.53 3.04 -1.17 -1.98 0.08 0.21 -4.78 117.98 110.84 2jri s PHE 121 Ca 0.32 -2.73 -0.17 0.00 0.12 0.00 0.00 56.93 54.46 2jri s PHE 121 Cb -0.02 -2.55 0.11 0.00 -0.57 0.00 0.00 43.02 39.99 2jri s PHE 121 CO 0.16 -0.87 1.50 0.99 -0.10 0.00 0.00 175.22 176.90 2jri s THR 122 N 0.72 4.49 -0.27 0.64 2.01 -1.25 -2.63 115.64 119.35 2jri s THR 122 Ca 0.13 -1.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.03 2jri s THR 122 Cb -0.21 -5.02 -0.03 0.00 0.01 0.00 0.00 72.50 67.25 2jri s THR 122 CO -0.09 -1.80 0.45 -0.69 -0.69 0.00 0.00 174.62 171.81 2jri s VAL 123 N 3.21 5.11 0.01 3.82 1.01 -1.22 -1.05 120.40 131.30 2jri s VAL 123 Ca 0.46 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.22 2jri s VAL 123 Cb -0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2jri s VAL 123 CO -0.00 0.10 -0.18 -0.60 0.00 0.00 0.00 175.10 174.42 2jri s ARG 124 N 2.21 2.19 -0.24 2.72 6.06 -1.24 -3.35 118.95 127.31 2jri s ARG 124 Ca 0.18 -0.90 -0.26 0.00 -2.50 0.00 0.00 55.73 52.26 2jri s ARG 124 Cb -0.16 -2.22 -0.00 0.00 0.06 0.00 0.00 34.95 32.63 2jri s ARG 124 CO 0.10 0.56 0.88 0.21 -2.50 0.00 0.00 175.30 174.55 2jri s LYS 125 N -1.14 4.21 -0.31 5.12 2.36 -1.13 -1.34 119.74 127.50 2jri s LYS 125 Ca 0.13 1.04 0.01 0.00 -2.55 0.00 0.00 55.97 54.60 2jri s LYS 125 Cb -0.10 -3.64 0.07 0.00 -1.05 0.00 0.00 37.83 33.11 2jri s LYS 125 CO 0.03 -0.53 0.01 -0.51 1.55 0.00 0.00 175.35 175.90 2jri s LEU 126 N 2.88 4.15 0.00 5.43 1.02 0.12 -4.74 118.68 127.55 2jri s LEU 126 Ca 0.37 -1.61 0.00 0.00 0.02 0.00 0.00 54.13 52.91 2jri s LEU 126 Cb -0.15 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.39 2jri s LEU 126 CO 0.07 -0.31 0.00 0.61 0.02 0.00 0.00 176.35 176.75 2jri n GLY 127 N 4.48 1.82 0.00 -3.19 0.00 -1.25 -2.83 105.19 104.21 2jri n GLY 127 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.77 0.00 -1.87 1.61 0.00 -1.26 -4.76 118.16 111.11 2jri n LYS 128 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 2jri n LYS 128 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.05 2jri n LYS 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2jri s GLN 129 N 0.00 3.38 -0.15 1.64 2.00 -1.13 -4.95 119.66 120.45 2jri s GLN 129 Ca 0.00 0.91 -0.05 0.00 -2.00 0.00 0.00 55.36 54.23 2jri s GLN 129 Cb 0.00 -2.05 -0.03 0.00 0.80 0.00 0.00 33.01 31.72 2jri s GLN 129 CO 0.00 -0.74 0.02 -1.58 -0.50 0.00 0.00 175.29 172.49 2jri s TRP 130 N -2.95 3.18 -0.49 1.67 0.52 -1.22 0.15 118.94 119.80 2jri s TRP 130 Ca 0.58 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.74 2jri s TRP 130 Cb -0.13 -1.96 0.13 0.00 -1.15 0.00 0.00 33.47 30.36 2jri s TRP 130 CO 0.49 0.20 0.26 -0.06 0.02 0.00 0.00 176.95 177.85 2jri s PHE 131 N -0.00 2.75 0.23 -1.98 0.40 -0.45 -1.77 117.98 117.15 2jri s PHE 131 Ca 0.04 -2.91 -0.32 0.00 -0.60 0.00 0.00 56.93 53.15 2jri s PHE 131 Cb -0.13 -2.48 -0.13 0.00 0.51 0.00 0.00 43.02 40.80 2jri s PHE 131 CO 0.02 -0.75 1.49 -1.71 0.70 0.00 0.00 175.22 174.96 2jri n ASN 132 N 3.24 3.06 -3.86 1.36 5.15 -1.26 -3.72 115.26 119.23 2jri n ASN 132 Ca 0.07 1.13 -0.29 0.00 -0.60 0.00 0.00 54.58 54.88 2jri n ASN 132 Cb 0.33 -1.46 -0.16 0.00 -0.53 0.00 0.00 39.78 37.96 2jri n ASN 132 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jri s LEU 133 N 0.22 1.95 0.03 1.20 1.43 -0.21 -3.17 118.68 120.13 2jri s LEU 133 Ca 0.70 -1.00 -0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2jri s LEU 133 Cb -0.63 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 2jri s LEU 133 CO 0.46 -0.26 0.13 0.21 0.23 0.00 0.00 176.35 177.13 2jri s ASN 134 N 1.59 0.10 0.00 2.29 2.47 -1.26 -3.81 114.94 116.33 2jri s ASN 134 Ca -0.03 -0.41 -0.03 0.00 0.42 0.00 0.00 52.86 52.80 2jri s ASN 134 Cb -0.18 0.24 -0.14 0.00 -1.45 0.00 0.00 41.25 39.71 2jri s ASN 134 CO -0.07 -0.49 2.73 -1.20 -3.72 0.00 0.00 177.10 174.35 2jri n SER 135 N 0.90 4.84 0.00 -4.21 7.64 -1.26 -2.53 113.62 119.00 2jri n SER 135 Ca -0.20 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2jri n SER 135 Cb 0.58 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 2.13 0.22 -3.86 -3.43 7.94 -1.26 -5.04 117.00 113.71 2jri n LEU 136 Ca 0.23 -0.22 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 2jri n LEU 136 Cb 0.68 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.47 2jri n LEU 136 CO 0.08 0.06 -0.39 -1.48 -1.11 0.00 0.00 177.39 174.54 2jri s LEU 137 N -0.02 1.21 -0.22 -1.96 0.05 -1.05 -5.04 118.68 111.66 2jri s LEU 137 Ca 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 54.13 54.07 2jri s LEU 137 Cb 0.00 -0.37 0.08 0.00 -2.05 0.00 0.00 46.19 43.85 2jri s LEU 137 CO 0.00 -0.08 2.32 1.07 -0.55 0.00 0.00 176.35 179.11 2jri n THR 138 N 4.16 2.69 0.00 5.48 5.66 -1.26 -4.81 114.28 126.20 2jri n THR 138 Ca -0.24 -1.55 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 2jri n THR 138 Cb 0.51 -1.49 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 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 0.97 2.91 3.75 1.09 0.00 -1.26 -5.13 105.19 107.52 2jri n GLY 139 Ca 0.27 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2jri n GLY 139 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jri s PRO 140 N -1.92 4.25 0.00 1.61 0.02 -1.26 -4.98 135.00 132.72 2jri s PRO 140 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2jri s PRO 140 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2jri s PRO 140 CO 0.00 -0.42 0.00 0.39 -0.33 0.00 0.00 177.00 176.64 2jri n GLU 141 N 1.94 -0.61 -3.18 5.54 1.02 -1.19 -4.97 120.64 119.20 2jri n GLU 141 Ca 0.05 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.21 2jri n GLU 141 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.81 2jri n GLU 141 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jri s LEU 142 N 0.00 -1.49 -0.35 -4.62 2.96 -1.26 -4.61 118.68 109.31 2jri s LEU 142 Ca 0.00 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.84 2jri s LEU 142 Cb 0.00 1.88 0.01 0.00 0.50 0.00 0.00 46.19 48.58 2jri s LEU 142 CO 0.00 -0.30 0.20 -0.63 -1.32 0.00 0.00 176.35 174.30 2jri s ILE 143 N 2.73 4.75 1.09 6.68 1.01 -0.73 -5.00 121.20 131.72 2jri s ILE 143 Ca 0.10 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 2jri s ILE 143 Cb -0.10 -3.53 0.23 0.00 0.01 0.00 0.00 42.46 39.07 2jri s ILE 143 CO -0.26 -0.09 1.09 -0.44 0.00 0.00 0.00 174.94 175.24 2jri s SER 144 N 1.61 1.86 0.03 3.58 0.01 -1.26 -3.38 113.70 116.15 2jri s SER 144 Ca 0.04 1.04 -0.16 0.00 1.31 0.00 0.00 55.95 58.17 2jri s SER 144 Cb -0.18 -1.60 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 2jri s SER 144 CO 0.07 -3.59 1.25 0.44 0.41 0.00 0.00 173.24 171.83 2jri h ASP 145 N -2.21 -0.57 0.34 2.44 5.19 -1.98 0.17 116.42 119.80 2jri h ASP 145 Ca -0.53 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 55.87 2jri h ASP 145 Cb 1.32 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 2jri h ASP 145 CO 0.50 -0.33 -0.23 0.74 -3.12 0.00 0.00 179.24 176.81 2jri h THR 146 N -0.52 0.97 0.00 0.35 2.02 -2.02 -2.04 112.91 111.67 2jri h THR 146 Ca -0.04 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 2jri h THR 146 Cb 0.42 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2jri h THR 146 CO 0.03 0.22 -0.44 0.22 0.37 0.00 0.00 175.52 175.92 2jri h TYR 147 N 0.00 0.00 -0.43 3.16 3.20 -1.88 -2.99 116.97 118.03 2jri h TYR 147 Ca -0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2jri h TYR 147 Cb 0.46 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2jri h TYR 147 CO 0.00 0.44 -0.22 1.25 -1.64 0.00 0.00 178.16 177.99 2jri h LEU 148 N 0.00 0.90 -1.12 2.82 5.85 0.11 0.22 115.31 124.09 2jri h LEU 148 Ca -0.00 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2jri h LEU 148 Cb 0.95 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2jri h LEU 148 CO 0.06 1.08 0.46 0.00 -0.34 0.00 0.00 178.44 179.70 2jri h ALA 149 N 0.98 1.34 -0.10 1.25 0.00 -1.51 0.14 119.26 121.35 2jri h ALA 149 Ca 0.10 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2jri h ALA 149 Cb 0.77 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jri h ALA 149 CO 0.06 0.56 -0.47 1.25 0.00 0.00 0.00 179.25 180.65 2jri h LEU 150 N 1.08 0.59 -0.21 0.00 5.85 -1.39 -2.88 115.31 118.34 2jri h LEU 150 Ca 0.28 -0.64 0.03 0.00 0.84 0.00 0.00 57.88 58.38 2jri h LEU 150 Cb -0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 2jri h LEU 150 CO -0.05 1.13 0.06 0.15 -0.34 0.00 0.00 178.44 179.39 2jri h PHE 151 N 0.08 0.10 -0.13 1.25 3.57 -0.10 0.12 116.94 121.83 2jri h PHE 151 Ca -0.03 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2jri h PHE 151 Cb 1.11 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2jri h PHE 151 CO 0.11 0.04 0.08 -0.07 -2.23 0.00 0.00 178.31 176.24 2jri h LEU 152 N 0.15 0.16 -0.04 0.59 -0.00 -0.81 -1.53 115.31 113.82 2jri h LEU 152 Ca 0.10 -0.01 -0.25 0.00 -0.00 0.00 0.00 57.88 57.72 2jri h LEU 152 Cb 0.08 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2jri h LEU 152 CO -0.11 0.12 -1.07 0.00 -0.00 0.00 0.00 178.44 177.38 2jri h ALA 153 N 1.91 0.21 -0.57 1.53 0.00 -1.07 -3.23 119.26 118.04 2jri h ALA 153 Ca 0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2jri h ALA 153 Cb -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jri h ALA 153 CO -0.01 0.80 0.18 1.96 0.00 0.00 0.00 179.25 182.18 2jri h GLN 154 N 0.24 0.84 -0.81 0.00 1.08 0.17 -1.22 115.11 115.41 2jri h GLN 154 Ca -0.12 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2jri h GLN 154 Cb 1.73 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.98 2jri h GLN 154 CO 0.19 0.72 0.50 -0.07 -0.95 0.00 0.00 178.83 179.22 2jri h LEU 155 N 0.82 0.96 -0.20 1.46 3.38 -1.40 0.28 115.31 120.61 2jri h LEU 155 Ca 0.19 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 2jri h LEU 155 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jri h LEU 155 CO -0.01 0.73 -0.45 1.56 0.09 0.00 0.00 178.44 180.36 2jri h GLN 156 N 1.11 0.67 -0.55 1.13 4.20 -1.40 0.67 115.11 120.93 2jri h GLN 156 Ca 0.29 -0.45 -0.11 0.00 0.06 0.00 0.00 58.65 58.44 2jri h GLN 156 Cb -0.06 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2jri h GLN 156 CO -0.06 1.07 -0.10 1.96 -0.67 0.00 0.00 178.83 181.03 2jri h GLN 157 N 0.36 1.05 0.12 1.46 4.20 -0.80 -3.27 115.11 118.23 2jri h GLN 157 Ca 0.00 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.32 2jri h GLN 157 Cb 1.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2jri h GLN 157 CO 0.10 1.08 -0.06 1.49 -0.67 0.00 0.00 178.83 180.77 2jri h GLU 158 N 0.93 -0.15 0.00 1.46 4.57 -0.48 -3.48 114.58 117.42 2jri h GLU 158 Ca 0.14 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2jri h GLU 158 Cb 0.67 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2jri h GLU 158 CO 0.05 0.29 0.00 0.41 -1.18 0.00 0.00 179.01 178.58 2jri n GLY 159 N 0.27 0.64 0.00 1.92 0.00 -0.66 -5.09 105.19 102.26 2jri n GLY 159 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.93 -3.46 1.61 4.02 0.14 -4.85 117.16 111.69 2jri n TYR 160 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.61 2jri n TYR 160 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 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 2.89 -0.44 7.72 0.01 -0.65 -4.91 113.70 117.32 2jri s SER 161 Ca 0.00 -2.03 -0.29 0.00 1.31 0.00 0.00 55.95 54.94 2jri s SER 161 Cb 0.00 -0.32 0.02 0.00 0.21 0.00 0.00 66.02 65.94 2jri s SER 161 CO 0.00 -0.32 1.25 -0.63 0.41 0.00 0.00 173.24 173.95 2jri s ILE 162 N 1.22 4.09 -0.50 1.44 1.01 -1.26 -2.57 121.20 124.63 2jri s ILE 162 Ca 0.17 1.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.84 2jri s ILE 162 Cb -0.22 -4.43 0.13 0.00 0.01 0.00 0.00 42.46 37.95 2jri s ILE 162 CO -0.04 -0.88 0.39 -0.36 0.00 0.00 0.00 174.94 174.05 2jri s PHE 163 N 4.81 3.42 0.06 3.97 0.08 0.89 -0.34 117.98 130.86 2jri s PHE 163 Ca 0.53 -1.83 -0.23 0.00 0.12 0.00 0.00 56.93 55.52 2jri s PHE 163 Cb -0.10 -3.55 -0.06 0.00 -0.57 0.00 0.00 43.02 38.74 2jri s PHE 163 CO 0.31 -0.99 0.71 0.54 -0.10 0.00 0.00 175.22 175.69 2jri s VAL 164 N 1.29 4.71 -0.09 -0.44 0.11 0.78 -0.41 120.40 126.35 2jri s VAL 164 Ca 0.06 1.52 -0.14 0.00 -2.93 0.00 0.00 61.98 60.49 2jri s VAL 164 Cb -0.26 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.49 2jri s VAL 164 CO -0.01 0.42 0.34 -0.69 -3.33 0.00 0.00 175.10 171.84 2jri s VAL 165 N -0.37 5.21 0.08 2.04 1.01 -1.02 0.04 120.40 127.39 2jri s VAL 165 Ca 0.35 0.67 0.07 0.00 0.00 0.00 0.00 61.98 63.08 2jri s VAL 165 Cb -0.20 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2jri s VAL 165 CO 0.22 0.49 -0.15 -0.54 0.00 0.00 0.00 175.10 175.12 2jri s LYS 166 N -0.34 2.02 0.00 2.72 -0.14 0.72 -4.31 119.74 120.42 2jri s LYS 166 Ca 0.20 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 2jri s LYS 166 Cb -0.15 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.78 2jri s LYS 166 CO 0.08 0.51 0.00 0.41 -0.76 0.00 0.00 175.35 175.60 2jri n GLY 167 N 1.04 0.98 3.59 -3.33 0.00 -1.26 -2.02 105.19 104.20 2jri n GLY 167 Ca -0.15 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.26 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 0.00 6.63 -0.12 1.61 1.01 -1.26 -4.93 116.67 119.62 2jri s ASP 168 Ca 0.00 0.46 -0.06 0.00 0.71 0.00 0.00 52.55 53.67 2jri s ASP 168 Cb 0.00 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 2jri s ASP 168 CO 0.00 -0.93 0.09 -0.76 0.21 0.00 0.00 175.17 173.78 2jri s LEU 169 N 3.60 4.10 0.32 1.23 1.02 -1.26 -4.98 118.68 122.71 2jri s LEU 169 Ca 0.38 0.34 -0.29 0.00 0.02 0.00 0.00 54.13 54.58 2jri s LEU 169 Cb -0.11 -1.99 -0.13 0.00 0.02 0.00 0.00 46.19 43.99 2jri s LEU 169 CO 0.21 0.38 1.30 -0.81 0.02 0.00 0.00 176.35 177.45 2jri n PRO 170 N 2.20 2.07 -4.63 1.29 -0.04 -1.26 -5.01 135.00 129.62 2jri n PRO 170 Ca -0.19 0.73 -0.29 0.00 -0.04 0.00 0.00 63.50 63.71 2jri n PRO 170 Cb 0.54 -2.31 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 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 -0.21 3.54 0.07 3.54 -4.77 -1.26 -4.77 116.67 112.82 2jri s ASP 171 Ca 0.58 -1.54 -0.00 0.00 -3.30 0.00 0.00 52.55 48.29 2jri s ASP 171 Cb -0.59 0.18 0.00 0.00 -1.09 0.00 0.00 42.92 41.42 2jri s ASP 171 CO 0.60 -0.72 0.10 0.00 0.70 0.00 0.00 175.17 175.84 2jri h GLU 173 N 0.00 0.37 -0.85 0.00 4.57 -1.95 -0.49 114.58 116.23 2jri h GLU 173 Ca -0.05 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.23 2jri h GLU 173 Cb 0.24 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.68 2jri h GLU 173 CO 0.07 0.25 0.55 0.00 -1.18 0.00 0.00 179.01 178.70 2jri h ALA 174 N 1.60 1.83 -0.62 2.92 0.00 -1.96 0.45 119.26 123.47 2jri h ALA 174 Ca 0.53 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.32 2jri h ALA 174 Cb 1.36 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2jri h ALA 174 CO -0.22 -0.04 0.14 -3.47 0.00 0.00 0.00 179.25 175.66 2jri n ASP 175 N -4.54 5.01 0.00 0.00 2.03 -0.20 -3.98 116.55 114.87 2jri n ASP 175 Ca 0.16 -3.12 0.00 0.00 0.52 0.00 0.00 54.79 52.34 2jri n ASP 175 Cb 0.43 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 2jri n ASP 175 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jri n GLN 176 N 0.05 0.00 -0.05 -0.67 6.02 0.04 -3.90 117.38 118.87 2jri n GLN 176 Ca 0.34 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 2jri n GLN 176 Cb 1.27 -0.72 0.46 0.00 1.02 0.00 0.00 30.24 32.27 2jri n GLN 176 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2jri n LEU 177 N -2.64 1.44 -1.57 1.08 -0.00 -0.55 -3.98 117.00 110.78 2jri n LEU 177 Ca 0.00 -0.56 -0.09 0.00 -0.00 0.00 0.00 56.01 55.36 2jri n LEU 177 Cb 0.44 -0.06 0.12 0.00 -0.00 0.00 0.00 43.42 43.93 2jri n LEU 177 CO 0.00 0.28 0.85 0.18 -0.00 0.00 0.00 177.39 178.70 2jri n LEU 178 N 0.15 4.68 0.04 1.47 7.99 -1.26 -3.91 117.00 126.16 2jri n LEU 178 Ca 0.17 -2.44 0.11 0.00 -0.01 0.00 0.00 56.01 53.84 2jri n LEU 178 Cb 0.31 -0.66 -0.07 0.00 -0.11 0.00 0.00 43.42 42.89 2jri n LEU 178 CO 0.14 0.72 -0.30 0.00 -1.51 0.00 0.00 177.39 176.44 2jri n GLN 179 N -0.22 0.53 -1.80 3.23 1.13 -1.26 -4.17 117.38 114.82 2jri n GLN 179 Ca 0.28 -0.04 -0.19 0.00 -1.94 0.00 0.00 57.00 55.11 2jri n GLN 179 Cb 1.05 -1.64 0.05 0.00 0.11 0.00 0.00 30.24 29.81 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 -2.30 3.30 -3.82 -1.09 0.00 -1.25 -4.98 117.12 106.98 2jri n MET 180 Ca -0.01 -4.03 -0.36 0.00 0.00 0.00 0.00 57.70 53.30 2jri n MET 180 Cb 0.52 -2.18 -0.13 0.00 0.00 0.00 0.00 33.22 31.43 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 -4.39 3.66 0.00 3.17 -1.09 -1.26 -5.17 121.20 116.12 2jri s ILE 181 Ca 0.49 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.15 2jri s ILE 181 Cb 0.40 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 2jri s ILE 181 CO 0.02 0.13 0.00 -1.14 -1.23 0.00 0.00 174.94 172.73