#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 -2.16 2.12 4.71 -1.26 -4.98 120.64 119.08 2jri n GLU 2 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.78 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 -0.19 5.47 -0.03 1.62 0.01 -1.26 -4.95 113.70 114.36 2jri s SER 3 Ca 0.00 -0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.24 2jri s SER 3 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.68 2jri s SER 3 CO 0.00 -2.30 -0.17 -0.63 0.41 0.00 0.00 173.24 170.55 2jri s ILE 4 N 8.44 1.37 -0.95 1.44 1.01 -1.26 -3.11 121.20 128.15 2jri s ILE 4 Ca 0.61 -0.70 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 2jri s ILE 4 Cb -0.10 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.22 2jri s ILE 4 CO 0.14 0.39 1.59 -0.36 0.00 0.00 0.00 174.94 176.71 2jri s PHE 5 N -0.10 2.27 -0.47 3.97 0.40 -1.26 -4.78 117.98 118.01 2jri s PHE 5 Ca -0.00 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 2jri s PHE 5 Cb -0.10 -4.49 0.42 0.00 0.51 0.00 0.00 43.02 39.36 2jri s PHE 5 CO 0.01 -1.91 1.26 1.58 0.70 0.00 0.00 175.22 176.86 2jri n HIS 6 N 10.50 3.26 -1.63 0.36 -0.00 -1.26 -4.70 115.22 121.75 2jri n HIS 6 Ca 0.32 -2.89 -0.47 0.00 0.46 0.00 0.00 57.72 55.15 2jri n HIS 6 Cb 0.50 -0.29 -0.04 0.00 -0.12 0.00 0.00 29.99 30.03 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 -0.53 2.11 -4.48 1.57 -0.58 -1.26 -4.96 120.64 112.50 2jri n GLU 7 Ca 0.42 0.73 -0.34 0.00 -0.42 0.00 0.00 57.16 57.55 2jri n GLU 7 Cb 0.65 -2.80 -0.10 0.00 -0.57 0.00 0.00 31.44 28.62 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 4.87 2.80 0.15 3.49 2.47 -1.26 -4.90 119.74 127.36 2jri s LYS 8 Ca 0.96 -0.53 -0.10 0.00 -1.56 0.00 0.00 55.97 54.74 2jri s LYS 8 Cb -0.60 -2.65 -0.00 0.00 -1.46 0.00 0.00 37.83 33.11 2jri s LYS 8 CO 0.47 0.66 0.28 1.14 0.16 0.00 0.00 175.35 178.06 2jri s GLN 9 N -1.00 1.09 0.09 4.03 0.00 -1.26 -5.16 119.66 117.44 2jri s GLN 9 Ca 0.14 -1.09 -0.07 0.00 -0.00 0.00 0.00 55.36 54.35 2jri s GLN 9 Cb -0.11 0.38 -0.01 0.00 0.00 0.00 0.00 33.01 33.27 2jri s GLN 9 CO 0.04 -0.39 0.15 -1.21 0.00 0.00 0.00 175.29 173.87 2jri s GLU 10 N -3.93 0.83 -0.02 9.60 2.02 -1.26 -4.97 118.70 120.97 2jri s GLU 10 Ca 0.13 -1.05 -0.00 0.00 0.02 0.00 0.00 54.97 54.08 2jri s GLU 10 Cb 0.03 0.32 -0.00 0.00 0.10 0.00 0.00 34.13 34.58 2jri s GLU 10 CO -0.03 -0.25 0.01 0.41 0.02 0.00 0.00 175.26 175.42 2jri n GLY 11 N -0.04 0.26 7.00 -1.39 0.00 -1.26 -4.92 105.19 104.84 2jri n GLY 11 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.26 -3.36 -3.09 1.61 7.64 -1.26 -4.92 113.62 108.98 2jri n SER 12 Ca -0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.65 2jri n SER 12 Cb 0.50 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.39 0.00 -3.43 7.99 -0.71 -4.85 117.00 113.61 2jri n LEU 13 Ca 0.00 -0.30 0.06 0.00 -0.01 0.00 0.00 56.01 55.75 2jri n LEU 13 Cb 0.00 -2.77 0.25 0.00 -0.11 0.00 0.00 43.42 40.79 2jri n LEU 13 CO 0.00 0.21 0.69 0.00 -1.51 0.00 0.00 177.39 176.77 2jri h ALA 15 N 2.39 1.30 -0.12 0.00 0.00 -1.94 -1.79 119.26 119.10 2jri h ALA 15 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jri h ALA 15 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2jri h ALA 15 CO 0.00 0.33 0.00 0.94 0.00 0.00 0.00 179.25 180.52 2jri n GLN 16 N -3.85 1.63 0.00 0.00 7.27 -1.01 -3.72 117.38 117.71 2jri n GLN 16 Ca -0.02 -0.58 0.00 0.00 0.07 0.00 0.00 57.00 56.48 2jri n GLN 16 Cb 0.35 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2jri n HIS 17 N 0.06 -0.01 0.17 3.69 -0.00 -0.71 -4.46 115.22 113.96 2jri n HIS 17 Ca 0.05 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.09 2jri n HIS 17 Cb 0.34 0.10 -0.07 0.00 -0.12 0.00 0.00 29.99 30.25 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 -0.65 0.96 -0.10 0.00 6.46 -1.86 -1.95 115.31 118.16 2jri h LEU 19 Ca 0.00 -0.56 0.02 0.00 -0.12 0.00 0.00 57.88 57.23 2jri h LEU 19 Cb 0.64 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2jri h LEU 19 CO -0.14 1.36 -0.02 -1.13 -0.62 0.00 0.00 178.44 177.89 2jri h ASN 20 N 0.62 -0.08 0.99 1.25 -0.73 -1.74 0.26 115.58 116.14 2jri h ASN 20 Ca -0.01 0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.10 2jri h ASN 20 Cb 1.25 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.89 2jri h ASN 20 CO 0.14 -0.03 -0.41 0.78 -0.37 0.00 0.00 177.43 177.54 2jri h ASN 21 N 0.01 0.00 0.06 1.15 -0.26 -0.86 -0.31 115.58 115.37 2jri h ASN 21 Ca 0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.79 2jri h ASN 21 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2jri h ASN 21 CO -0.10 0.41 -0.03 0.25 -1.06 0.00 0.00 177.43 176.90 2jri h LEU 22 N 0.00 -0.07 -0.32 1.61 7.12 -0.82 -3.26 115.31 119.58 2jri h LEU 22 Ca -0.00 -0.58 0.00 0.00 0.13 0.00 0.00 57.88 57.43 2jri h LEU 22 Cb 1.01 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2jri h LEU 22 CO 0.05 0.61 0.00 -0.07 -0.13 0.00 0.00 178.44 178.91 2jri h LEU 23 N -0.82 0.00 -2.21 2.25 3.38 -0.56 -3.48 115.31 113.88 2jri h LEU 23 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2jri h LEU 23 Cb 0.64 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.56 2jri h LEU 23 CO 0.01 0.00 -0.76 0.00 0.09 0.00 0.00 178.44 177.79 2jri n GLN 24 N -2.45 -3.46 0.00 1.13 1.13 -0.16 -4.54 117.38 109.02 2jri n GLN 24 Ca 0.04 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.89 2jri n GLN 24 Cb 0.38 -5.51 0.00 0.00 0.11 0.00 0.00 30.24 25.22 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 -1.21 2.12 2.99 1.08 0.00 -0.98 -4.52 105.19 104.68 2jri n GLY 25 Ca -0.13 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2jri n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jri n GLU 26 N -0.60 3.51 -0.79 1.61 1.02 -1.26 -4.64 120.64 119.48 2jri n GLU 26 Ca 0.00 -3.52 0.01 0.00 -0.02 0.00 0.00 57.16 53.63 2jri n GLU 26 Cb 0.00 -2.99 0.29 0.00 -0.02 0.00 0.00 31.44 28.73 2jri n GLU 26 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jri n TYR 27 N 4.48 1.74 -3.69 -0.32 4.01 -1.26 -4.94 117.16 117.18 2jri n TYR 27 Ca 0.40 -1.08 -0.14 0.00 -0.16 0.00 0.00 57.90 56.92 2jri n TYR 27 Cb 0.38 -0.52 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 2jri n TYR 27 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2jri s PHE 28 N -2.95 -0.48 0.14 -0.72 5.36 -1.26 -5.15 117.98 112.92 2jri s PHE 28 Ca 0.50 1.05 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 2jri s PHE 28 Cb 0.40 0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 43.24 2jri s PHE 28 CO 0.11 -0.35 0.31 -1.12 -1.46 0.00 0.00 175.22 172.70 2jri s SER 29 N -0.37 6.37 0.09 6.13 0.01 -1.26 -5.04 113.70 119.64 2jri s SER 29 Ca -0.05 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.22 2jri s SER 29 Cb -0.03 -1.97 -0.14 0.00 0.21 0.00 0.00 66.02 64.09 2jri s SER 29 CO 0.03 0.05 1.64 -0.65 0.41 0.00 0.00 173.24 174.73 2jri h PRO 30 N 2.40 -0.59 0.00 12.44 0.11 -1.99 -2.29 132.00 142.08 2jri h PRO 30 Ca -0.47 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2jri h PRO 30 Cb 1.18 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jri h PRO 30 CO 0.71 -0.39 0.00 1.55 -0.21 0.00 0.00 178.00 179.66 2jri n VAL 31 N -5.39 0.81 0.09 3.15 3.14 -1.26 -2.50 118.33 116.37 2jri n VAL 31 Ca -0.10 0.17 -0.07 0.00 -2.96 0.00 0.00 64.34 61.38 2jri n VAL 31 Cb 0.29 -1.05 0.02 0.00 -1.06 0.00 0.00 33.84 32.05 2jri n VAL 31 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2jri h GLU 32 N 0.00 0.18 -0.14 1.45 4.81 -1.83 -3.15 114.58 115.91 2jri h GLU 32 Ca 0.00 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2jri h GLU 32 Cb 0.39 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2jri h GLU 32 CO 0.00 0.90 0.10 -0.07 -0.73 0.00 0.00 179.01 179.22 2jri h LEU 33 N 0.11 0.00 -1.53 1.64 3.38 -1.17 -0.30 115.31 117.43 2jri h LEU 33 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jri h LEU 33 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2jri h LEU 33 CO 0.12 0.00 0.00 0.28 0.09 0.00 0.00 178.44 178.93 2jri h SER 34 N 0.00 0.00 0.51 -0.43 0.02 -1.70 -2.46 113.55 109.48 2jri h SER 34 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jri h SER 34 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jri h SER 34 CO -0.00 0.00 -0.39 -1.20 -1.14 0.00 0.00 176.83 174.10 2jri n SER 35 N -2.84 0.52 0.04 3.07 7.64 -0.12 -3.84 113.62 118.09 2jri n SER 35 Ca 0.00 -0.28 -0.02 0.00 1.01 0.00 0.00 58.87 59.59 2jri n SER 35 Cb 0.23 0.14 0.25 0.00 -1.01 0.00 0.00 64.21 63.82 2jri n SER 35 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2jri h ILE 36 N 0.20 1.25 0.00 0.44 2.04 -1.52 -2.53 117.51 117.39 2jri h ILE 36 Ca 0.00 -1.16 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 2jri h ILE 36 Cb 0.49 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2jri h ILE 36 CO 0.00 0.37 -0.19 0.00 0.00 0.00 0.00 178.15 178.32 2jri h ALA 37 N 1.40 1.10 -0.41 1.87 0.00 -1.75 -2.93 119.26 118.54 2jri h ALA 37 Ca 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2jri h ALA 37 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jri h ALA 37 CO 0.04 0.24 0.17 1.25 0.00 0.00 0.00 179.25 180.95 2jri h HIS 38 N 0.00 0.57 -0.13 0.00 6.17 -1.66 0.52 115.15 120.62 2jri h HIS 38 Ca -0.00 -0.02 -0.17 0.00 0.71 0.00 0.00 60.37 60.89 2jri h HIS 38 Cb 0.61 -0.18 -0.00 0.00 2.52 0.00 0.00 27.41 30.35 2jri h HIS 38 CO 0.00 0.44 -0.64 0.37 0.71 0.00 0.00 177.93 178.81 2jri h GLN 39 N 0.58 0.49 -0.38 5.26 -0.00 -1.64 -2.63 115.11 116.79 2jri h GLN 39 Ca 0.14 -0.35 -0.10 0.00 -0.00 0.00 0.00 58.65 58.34 2jri h GLN 39 Cb 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.63 2jri h GLN 39 CO -0.02 0.97 -0.19 -0.07 0.00 0.00 0.00 178.83 179.53 2jri h LEU 40 N 0.36 0.72 -1.08 -2.39 -0.00 -1.35 -1.24 115.31 110.33 2jri h LEU 40 Ca -0.01 -0.24 0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2jri h LEU 40 Cb 1.20 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.62 2jri h LEU 40 CO 0.12 0.90 0.62 -0.78 -0.00 0.00 0.00 178.44 179.30 2jri h ASP 41 N 0.64 1.07 -0.47 -0.43 3.58 -0.77 0.37 116.42 120.40 2jri h ASP 41 Ca 0.10 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.41 2jri h ASP 41 Cb 0.67 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2jri h ASP 41 CO 0.05 0.77 -0.13 -0.08 -2.88 0.00 0.00 179.24 176.97 2jri h GLU 42 N 1.26 0.92 -0.16 0.28 4.81 -1.06 -1.55 114.58 119.07 2jri h GLU 42 Ca 0.35 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2jri h GLU 42 Cb -0.13 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2jri h GLU 42 CO -0.08 1.02 -0.01 1.49 -0.73 0.00 0.00 179.01 180.70 2jri h GLU 43 N 0.76 0.29 -0.31 1.92 4.81 -0.38 -2.75 114.58 118.92 2jri h GLU 43 Ca 0.12 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2jri h GLU 43 Cb 0.69 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2jri h GLU 43 CO 0.05 0.52 0.13 0.93 -0.73 0.00 0.00 179.01 179.91 2jri h GLU 44 N 0.03 0.44 -0.30 1.92 4.39 -0.27 -0.93 114.58 119.85 2jri h GLU 44 Ca 0.05 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 2jri h GLU 44 Cb 0.39 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2jri h GLU 44 CO 0.01 0.36 0.03 -0.09 -1.16 0.00 0.00 179.01 178.16 2jri h ARG 45 N 0.44 0.45 -0.35 2.33 2.43 -1.05 -0.33 114.38 118.30 2jri h ARG 45 Ca 0.11 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 2jri h ARG 45 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2jri h ARG 45 CO -0.01 0.45 -0.07 0.52 -1.51 0.00 0.00 179.97 179.36 2jri h MET 46 N 0.44 0.67 -0.37 0.20 2.86 -0.90 -0.68 114.93 117.16 2jri h MET 46 Ca 0.10 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2jri h MET 46 Cb 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2jri h MET 46 CO 0.00 0.82 0.01 -0.09 1.06 0.00 0.00 176.91 178.72 2jri h ARG 47 N 0.47 0.57 -0.34 1.72 1.12 -1.05 -1.10 114.38 115.77 2jri h ARG 47 Ca 0.09 -0.12 -0.11 0.00 -1.11 0.00 0.00 59.98 58.73 2jri h ARG 47 Cb 0.56 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2jri h ARG 47 CO 0.03 0.59 -0.23 1.98 -3.11 0.00 0.00 179.97 179.24 2jri h MET 48 N 0.55 0.75 -0.42 0.20 4.05 -0.78 -2.61 114.93 116.66 2jri h MET 48 Ca 0.12 -0.35 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 2jri h MET 48 Cb 0.34 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2jri h MET 48 CO 0.01 0.97 -0.03 0.00 0.23 0.00 0.00 176.91 178.09 2jri h ALA 49 N 0.76 1.15 -1.00 0.39 0.00 -0.70 -1.27 119.26 118.59 2jri h ALA 49 Ca 0.07 -0.26 -0.64 0.00 0.00 0.00 0.00 54.91 54.08 2jri h ALA 49 Cb 0.78 -0.17 -0.30 0.00 0.00 0.00 0.00 17.79 18.10 2jri h ALA 49 CO 0.06 0.54 0.82 -1.91 0.00 0.00 0.00 179.25 178.76 2jri n GLU 50 N -4.21 2.58 0.00 0.00 4.07 -0.45 -4.60 120.64 118.03 2jri n GLU 50 Ca 0.02 -3.22 0.00 0.00 -0.06 0.00 0.00 57.16 53.89 2jri n GLU 50 Cb 0.30 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.42 2jri n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jri n GLY 51 N -0.98 -1.28 2.53 8.31 0.00 -0.99 -4.95 105.19 107.83 2jri n GLY 51 Ca 0.62 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 1.21 1.74 -0.02 0.00 -0.50 -4.57 105.19 103.04 2jri n GLY 52 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2jri n GLY 52 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jri n VAL 53 N 1.41 1.04 -0.01 1.61 0.24 -1.26 -4.37 118.33 116.98 2jri n VAL 53 Ca 0.14 -2.30 -0.01 0.00 -2.04 0.00 0.00 64.34 60.13 2jri n VAL 53 Cb 0.60 0.60 -0.01 0.00 -1.47 0.00 0.00 33.84 33.57 2jri n VAL 53 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2jri h THR 54 N 4.94 0.00 0.00 3.34 2.02 -1.99 -3.50 112.91 117.72 2jri h THR 54 Ca -0.09 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2jri h THR 54 Cb 1.52 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2jri h THR 54 CO 0.18 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.87 2jri n SER 55 N -4.57 0.00 -1.97 4.18 7.64 -1.26 -4.97 113.62 112.67 2jri n SER 55 Ca -0.01 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 2jri n SER 55 Cb 0.03 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.40 2jri n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jri n GLU 56 N 0.00 2.20 -0.25 1.43 -0.58 -1.26 -4.68 120.64 117.49 2jri n GLU 56 Ca 0.00 -3.10 0.05 0.00 -0.42 0.00 0.00 57.16 53.69 2jri n GLU 56 Cb 0.00 -2.10 0.18 0.00 -0.57 0.00 0.00 31.44 28.95 2jri n GLU 56 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2jri h ASP 57 N 1.09 0.18 0.00 1.62 5.19 -1.93 0.35 116.42 122.91 2jri h ASP 57 Ca 0.53 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 57.06 2jri h ASP 57 Cb 2.41 0.12 0.00 0.00 0.18 0.00 0.00 39.33 42.04 2jri h ASP 57 CO 0.96 0.06 0.00 -1.22 -3.12 0.00 0.00 179.24 175.92 2jri n TYR 58 N -5.06 0.00 0.00 4.55 4.01 -1.26 -1.89 117.16 117.51 2jri n TYR 58 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2jri n TYR 58 Cb 0.41 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2jri n TYR 58 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jri n ARG 59 N 0.10 0.00 0.11 -0.72 1.74 -0.04 -4.77 116.66 113.08 2jri n ARG 59 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jri n ARG 59 Cb 0.15 -0.10 0.27 0.00 -1.02 0.00 0.00 32.46 31.75 2jri n ARG 59 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2jri h THR 60 N 0.00 1.28 0.00 0.55 1.35 -0.41 -2.32 112.91 113.37 2jri h THR 60 Ca 0.00 -1.37 -0.02 0.00 -0.55 0.00 0.00 66.41 64.47 2jri h THR 60 Cb 0.00 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 2jri h THR 60 CO 0.00 0.41 -0.09 -0.26 -0.25 0.00 0.00 175.52 175.32 2jri h PHE 61 N 0.17 0.00 0.06 4.73 -1.00 -1.58 -1.11 116.94 118.21 2jri h PHE 61 Ca 0.02 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.56 2jri h PHE 61 Cb 0.72 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 2jri h PHE 61 CO 0.01 0.09 -1.07 -0.07 -1.61 0.00 0.00 178.31 175.67 2jri h LEU 62 N 0.00 0.36 -3.09 1.54 3.38 -1.62 -3.19 115.31 112.69 2jri h LEU 62 Ca -0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jri h LEU 62 Cb 0.96 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2jri h LEU 62 CO 0.01 1.21 0.00 1.67 0.09 0.00 0.00 178.44 181.42 2jri n GLN 63 N -3.59 3.30 -1.68 1.13 7.27 -1.02 -4.85 117.38 117.94 2jri n GLN 63 Ca -0.06 -2.65 -0.45 0.00 0.07 0.00 0.00 57.00 53.91 2jri n GLN 63 Cb 0.92 -1.70 -0.04 0.00 2.41 0.00 0.00 30.24 31.83 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 0.61 2.21 -1.67 3.69 -0.06 -0.42 -4.88 117.38 116.86 2jri n GLN 64 Ca 0.21 0.80 -0.37 0.00 -2.00 0.00 0.00 57.00 55.63 2jri n GLN 64 Cb 0.76 -2.55 0.06 0.00 -4.06 0.00 0.00 30.24 24.45 2jri n GLN 64 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 2jri n PRO 65 N 3.12 0.98 0.00 3.69 -0.04 -1.26 -2.39 135.00 139.10 2jri n PRO 65 Ca 0.15 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2jri n PRO 65 Cb 0.30 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2jri n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jri n SER 66 N -1.47 0.00 -0.18 3.54 7.64 -1.26 -4.62 113.62 117.27 2jri n SER 66 Ca 0.15 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.95 2jri n SER 66 Cb 0.48 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.08 0.75 0.23 0.00 -1.81 -2.94 103.07 100.38 2jri h GLY 67 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2jri h GLY 67 CO 0.00 0.74 0.00 3.43 0.00 0.00 0.00 176.54 180.71 2jri h ASN 68 N 0.91 0.11 0.00 0.19 2.35 -1.79 -3.34 115.58 114.01 2jri h ASN 68 Ca 0.16 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2jri h ASN 68 Cb 0.57 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.91 2jri h ASN 68 CO 0.03 0.38 0.00 0.80 -1.65 0.00 0.00 177.43 176.99 2jri n MET 69 N -4.87 0.00 0.00 0.81 1.56 -1.11 -4.60 117.12 108.91 2jri n MET 69 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 2jri n MET 69 Cb 0.18 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.55 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 0.08 6.12 2.03 -1.26 -4.11 116.55 119.41 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 0.59 0.00 1.67 2.03 -1.26 -4.73 116.55 114.85 2jri n ASP 71 Ca 0.00 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.57 2jri n ASP 71 Cb 0.00 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.35 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 -3.43 0.00 -0.45 1.67 7.64 -1.26 -4.93 113.62 112.86 2jri n SER 72 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2jri n SER 72 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.70 1.35 0.23 0.00 -1.26 -4.82 105.19 106.39 2jri n GLY 73 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.06 -3.65 -3.69 1.61 3.72 -1.26 -1.74 117.46 112.38 2jri n PHE 74 Ca 0.03 -0.50 -0.10 0.00 -0.05 0.00 0.00 57.45 56.83 2jri n PHE 74 Cb 0.24 -0.31 -0.10 0.00 -0.94 0.00 0.00 39.48 38.36 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N -1.53 -0.65 0.69 1.38 0.08 -1.26 -4.80 117.98 111.89 2jri s PHE 75 Ca 0.25 1.37 -0.11 0.00 0.12 0.00 0.00 56.93 58.56 2jri s PHE 75 Cb -0.01 0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.75 2jri s PHE 75 CO 0.17 -0.36 1.06 -1.12 -0.10 0.00 0.00 175.22 174.87 2jri s SER 76 N 1.44 5.40 0.39 1.36 0.01 -1.26 -4.92 113.70 116.12 2jri s SER 76 Ca -0.09 1.62 0.27 0.00 1.31 0.00 0.00 55.95 59.05 2jri s SER 76 Cb -0.08 -2.50 1.37 0.00 0.21 0.00 0.00 66.02 65.02 2jri s SER 76 CO -0.13 -1.43 1.82 -0.29 0.41 0.00 0.00 173.24 173.61 2jri h ILE 77 N -0.70 0.00 -0.07 1.44 2.10 -1.96 -2.44 117.51 115.88 2jri h ILE 77 Ca -0.44 -0.09 0.02 0.00 1.08 0.00 0.00 64.86 65.44 2jri h ILE 77 Cb 1.21 0.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2jri h ILE 77 CO 0.57 0.00 0.07 1.56 -1.08 0.00 0.00 178.15 179.27 2jri h GLN 78 N 0.00 0.00 -0.08 2.19 7.50 -1.91 -0.45 115.11 122.36 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 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 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 -3.92 0.10 -0.09 -0.54 0.24 -0.92 -3.12 118.33 110.08 2jri n VAL 79 Ca -0.01 -0.13 -0.18 0.00 -2.04 0.00 0.00 64.34 61.97 2jri n VAL 79 Cb 0.17 -0.02 -0.07 0.00 -1.47 0.00 0.00 33.84 32.45 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 -0.33 0.99 0.08 1.34 2.08 -0.18 -3.52 119.36 119.82 2jri n ILE 80 Ca 0.12 -0.27 0.03 0.00 0.56 0.00 0.00 62.75 63.20 2jri n ILE 80 Cb 0.15 -1.66 0.42 0.00 -0.75 0.00 0.00 39.64 37.79 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 -0.57 0.31 0.61 4.38 0.02 -1.64 -2.08 113.55 114.57 2jri h SER 81 Ca -0.45 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2jri h SER 81 Cb 1.43 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2jri h SER 81 CO -0.25 0.34 -1.08 -3.20 -1.14 0.00 0.00 176.83 171.51 2jri n ASN 82 N -4.37 0.62 -0.25 3.07 5.15 -1.18 -3.76 115.26 114.54 2jri n ASN 82 Ca 0.00 0.02 0.08 0.00 -0.60 0.00 0.00 54.58 54.08 2jri n ASN 82 Cb 0.18 0.74 0.32 0.00 -0.53 0.00 0.00 39.78 40.49 2jri n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jri h ALA 83 N 2.32 1.68 0.00 5.20 0.00 -1.41 0.57 119.26 127.62 2jri h ALA 83 Ca 0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 2jri h ALA 83 Cb 0.84 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2jri h ALA 83 CO 0.00 0.15 -1.71 1.28 0.00 0.00 0.00 179.25 178.97 2jri n LEU 84 N -4.52 0.89 -0.12 0.00 7.99 -1.24 -4.12 117.00 115.89 2jri n LEU 84 Ca 0.14 0.41 -0.03 0.00 -0.01 0.00 0.00 56.01 56.52 2jri n LEU 84 Cb 0.31 0.16 0.18 0.00 -0.11 0.00 0.00 43.42 43.96 2jri n LEU 84 CO 0.32 0.39 0.94 0.50 -1.51 0.00 0.00 177.39 178.03 2jri h LYS 85 N 0.00 0.81 0.00 3.23 3.64 -1.39 0.16 116.57 123.02 2jri h LYS 85 Ca -0.29 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2jri h LYS 85 Cb 2.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.72 2jri h LYS 85 CO 0.08 0.76 0.00 -0.39 -2.27 0.00 0.00 179.45 177.63 2jri h VAL 86 N 0.77 0.00 -0.02 2.00 -1.51 -1.08 -1.41 116.25 115.01 2jri h VAL 86 Ca 0.16 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2jri h VAL 86 Cb 0.35 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2jri h VAL 86 CO 0.01 0.00 -0.33 0.79 -1.23 0.00 0.00 177.57 176.80 2jri n TRP 87 N -2.35 0.00 -0.58 5.19 7.02 -0.68 -4.96 117.44 121.08 2jri n TRP 87 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 2jri n TRP 87 Cb 0.21 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 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 1.31 0.64 3.98 6.99 0.00 -0.53 -5.07 105.19 112.50 2jri n GLY 88 Ca 0.09 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 3.57 -0.01 0.99 2.01 0.49 -4.98 118.68 120.74 2jri s LEU 89 Ca 0.00 -0.52 0.07 0.00 0.01 0.00 0.00 54.13 53.69 2jri s LEU 89 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 46.19 43.72 2jri s LEU 89 CO 0.00 -0.76 -0.22 -0.70 1.01 0.00 0.00 176.35 175.68 2jri s GLU 90 N -4.31 1.77 -0.18 1.70 2.12 -0.97 -3.71 118.70 115.12 2jri s GLU 90 Ca 0.53 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 55.02 2jri s GLU 90 Cb -0.08 -1.74 -0.01 0.00 0.26 0.00 0.00 34.13 32.56 2jri s GLU 90 CO 0.32 0.47 -0.09 -1.17 -0.54 0.00 0.00 175.26 174.25 2jri s LEU 91 N -0.62 2.77 -0.12 2.70 2.96 -1.26 0.24 118.68 125.34 2jri s LEU 91 Ca 0.09 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2jri s LEU 91 Cb -0.09 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.94 2jri s LEU 91 CO -0.00 0.06 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.23 2jri s ILE 92 N 0.97 2.06 -1.02 6.68 -1.09 0.65 -4.95 121.20 124.50 2jri s ILE 92 Ca -0.01 -1.00 -0.20 0.00 -2.23 0.00 0.00 60.65 57.21 2jri s ILE 92 Cb -0.15 -1.80 0.09 0.00 -1.58 0.00 0.00 42.46 39.03 2jri s ILE 92 CO -0.01 0.56 1.34 -0.22 -1.23 0.00 0.00 174.94 175.38 2jri s LEU 93 N 0.57 4.29 0.42 2.97 2.96 -1.26 -0.16 118.68 128.48 2jri s LEU 93 Ca -0.13 -1.91 0.30 0.00 -0.22 0.00 0.00 54.13 52.16 2jri s LEU 93 Cb -0.17 -2.49 1.44 0.00 0.50 0.00 0.00 46.19 45.48 2jri s LEU 93 CO 0.04 -1.23 1.89 0.15 -1.32 0.00 0.00 176.35 175.88 2jri h PHE 94 N 8.99 0.00 0.00 5.38 3.57 -0.99 -2.39 116.94 131.50 2jri h PHE 94 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 2jri h PHE 94 Cb 0.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jri h PHE 94 CO 1.23 0.00 -0.30 -0.97 -2.23 0.00 0.00 178.31 176.04 2jri h ASN 95 N 0.00 0.00 -3.38 0.41 -1.24 -1.87 -3.28 115.58 106.22 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 0.19 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.25 2jri h ASN 95 CO 0.00 0.30 0.55 -0.44 -1.29 0.00 0.00 177.43 176.54 2jri s SER 96 N -6.58 7.11 0.33 1.15 0.01 -0.90 -4.87 113.70 109.95 2jri s SER 96 Ca -0.02 2.13 0.10 0.00 1.31 0.00 0.00 55.95 59.47 2jri s SER 96 Cb 0.13 -2.60 0.90 0.00 0.21 0.00 0.00 66.02 64.66 2jri s SER 96 CO 0.68 -0.39 1.75 -0.65 0.41 0.00 0.00 173.24 175.04 2jri h PRO 97 N 5.82 0.57 0.00 12.44 0.11 -1.89 0.25 132.00 149.30 2jri h PRO 97 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2jri h PRO 97 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2jri h PRO 97 CO 0.77 0.38 -0.23 1.05 -0.21 0.00 0.00 178.00 179.76 2jri h GLU 98 N 0.59 0.00 0.00 1.05 9.09 -1.93 -2.60 114.58 120.77 2jri h GLU 98 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.03 2jri h GLU 98 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2jri h GLU 98 CO -0.43 0.23 -1.02 0.66 0.05 0.00 0.00 179.01 178.50 2jri n TYR 99 N -4.11 0.00 1.05 2.06 4.01 0.24 -4.22 117.16 116.20 2jri n TYR 99 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 2jri n TYR 99 Cb 0.29 -0.04 0.62 0.00 -0.31 0.00 0.00 39.34 39.91 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 -1.53 0.05 -1.22 -0.72 7.27 0.63 -3.59 117.38 118.28 2jri n GLN 100 Ca 0.03 -0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.84 2jri n GLN 100 Cb 0.33 -1.50 0.14 0.00 2.41 0.00 0.00 30.24 31.62 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 -1.47 2.34 0.12 3.69 1.85 -1.20 -4.32 116.66 117.67 2jri n ARG 101 Ca 0.08 -2.98 0.06 0.00 -1.00 0.00 0.00 57.85 54.00 2jri n ARG 101 Cb 0.33 -2.17 0.02 0.00 -1.05 0.00 0.00 32.46 29.59 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 1.33 0.00 -1.42 2.89 8.10 -1.87 -3.48 115.31 120.87 2jri h LEU 102 Ca 0.61 0.00 -0.41 0.00 0.11 0.00 0.00 57.88 58.19 2jri h LEU 102 Cb 2.18 0.00 0.07 0.00 -0.44 0.00 0.00 40.66 42.47 2jri h LEU 102 CO 1.22 0.32 -0.78 0.54 -4.11 0.00 0.00 178.44 175.63 2jri n ARG 103 N -2.99 -5.96 -3.98 0.17 3.00 -1.26 -4.98 116.66 100.65 2jri n ARG 103 Ca -0.01 0.70 -0.34 0.00 -0.01 0.00 0.00 57.85 58.19 2jri n ARG 103 Cb 0.68 -5.52 -0.15 0.00 0.00 0.00 0.00 32.46 27.47 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 -3.46 2.87 -0.20 0.55 1.01 -1.26 -5.07 121.20 115.64 2jri s ILE 104 Ca 0.25 -0.79 -0.39 0.00 0.00 0.00 0.00 60.65 59.72 2jri s ILE 104 Cb -0.12 -2.34 -0.15 0.00 0.01 0.00 0.00 42.46 39.86 2jri s ILE 104 CO 0.78 0.38 1.71 -0.67 0.00 0.00 0.00 174.94 177.14 2jri n ASP 105 N 4.71 2.46 0.16 3.58 2.03 -1.26 -4.86 116.55 123.36 2jri n ASP 105 Ca -0.18 1.07 0.13 0.00 0.52 0.00 0.00 54.79 56.32 2jri n ASP 105 Cb 0.49 -1.18 0.43 0.00 -0.72 0.00 0.00 41.12 40.14 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 7.15 0.00 -0.26 -0.67 0.13 -1.98 -3.22 132.00 133.16 2jri h PRO 106 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 2jri h PRO 106 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2jri h PRO 106 CO 0.94 0.00 -0.43 0.82 -0.23 0.00 0.00 178.00 179.10 2jri h ILE 107 N 0.00 1.30 -0.21 -3.56 2.04 -1.92 -2.70 117.51 112.46 2jri h ILE 107 Ca 0.00 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2jri h ILE 107 Cb 0.64 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2jri h ILE 107 CO 0.00 0.51 0.00 -3.20 0.00 0.00 0.00 178.15 175.46 2jri n ASN 108 N -4.02 1.73 -2.23 1.72 5.15 -1.21 -4.87 115.26 111.53 2jri n ASN 108 Ca -0.02 -2.12 -0.03 0.00 -0.60 0.00 0.00 54.58 51.81 2jri n ASN 108 Cb 0.54 -0.32 0.02 0.00 -0.53 0.00 0.00 39.78 39.49 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 0.18 0.01 -0.00 1.20 -0.58 -1.02 -5.08 120.64 115.36 2jri n GLU 109 Ca 0.08 -0.25 -0.04 0.00 -0.42 0.00 0.00 57.16 56.54 2jri n GLU 109 Cb 0.34 -0.13 -0.01 0.00 -0.57 0.00 0.00 31.44 31.06 2jri n GLU 109 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jri n ARG 110 N -1.29 0.17 -3.64 3.49 0.00 -1.26 -4.94 116.66 109.19 2jri n ARG 110 Ca 0.02 0.07 -0.07 0.00 -0.00 0.00 0.00 57.85 57.86 2jri n ARG 110 Cb 0.06 -0.79 -0.07 0.00 -0.00 0.00 0.00 32.46 31.67 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -5.94 -0.82 -0.00 2.89 0.01 -1.26 -2.37 113.70 106.21 2jri s SER 111 Ca -0.09 1.35 0.01 0.00 1.31 0.00 0.00 55.95 58.52 2jri s SER 111 Cb 0.02 1.34 -0.00 0.00 0.21 0.00 0.00 66.02 67.59 2jri s SER 111 CO 0.13 -0.22 -0.02 0.72 0.41 0.00 0.00 173.24 174.27 2jri s PHE 112 N 1.36 0.22 -0.07 2.43 -0.71 -0.66 -1.63 117.98 118.92 2jri s PHE 112 Ca -0.08 -0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 2jri s PHE 112 Cb -0.05 -0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.59 2jri s PHE 112 CO -0.16 -0.01 -0.12 0.42 -1.34 0.00 0.00 175.22 174.01 2jri s ILE 113 N -0.02 3.20 0.29 -4.49 1.01 0.23 -1.77 121.20 119.65 2jri s ILE 113 Ca 0.01 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.10 2jri s ILE 113 Cb -0.01 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 2jri s ILE 113 CO -0.00 0.58 -0.15 0.00 0.00 0.00 0.00 174.94 175.36 2jri s ASN 115 N -3.50 0.35 -0.29 0.00 2.20 -1.18 0.67 114.94 113.19 2jri s ASN 115 Ca 0.30 -0.78 0.12 0.00 -0.94 0.00 0.00 52.86 51.56 2jri s ASN 115 Cb -0.02 0.19 0.47 0.00 -2.00 0.00 0.00 41.25 39.90 2jri s ASN 115 CO 0.14 -0.52 1.15 0.00 -2.94 0.00 0.00 177.10 174.93 2jri n TYR 116 N 0.56 2.26 -2.55 1.54 9.36 -0.11 -2.34 117.16 125.88 2jri n TYR 116 Ca -0.17 -2.25 -0.20 0.00 3.32 0.00 0.00 57.90 58.60 2jri n TYR 116 Cb 0.59 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.65 -2.48 0.01 2.98 4.81 -1.26 -4.44 118.16 117.13 2jri n LYS 117 Ca 0.31 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 2jri n LYS 117 Cb 0.90 -5.51 0.00 0.00 0.02 0.00 0.00 35.03 30.43 2jri n LYS 117 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jri n GLU 118 N -3.13 0.00 -4.04 1.64 0.00 -1.26 -5.15 120.64 108.70 2jri n GLU 118 Ca -0.19 0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.75 2jri n GLU 118 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.06 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jri s HIS 119 N -1.66 3.29 0.06 4.31 3.76 -1.26 -5.12 115.29 118.66 2jri s HIS 119 Ca 0.00 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.93 2jri s HIS 119 Cb 0.00 -1.49 -0.03 0.00 1.11 0.00 0.00 32.58 32.17 2jri s HIS 119 CO 0.00 0.48 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.58 2jri s TRP 120 N -2.03 1.84 -0.47 1.40 0.52 -1.26 -0.94 118.94 118.00 2jri s TRP 120 Ca 0.33 -0.39 -0.08 0.00 0.02 0.00 0.00 56.10 55.98 2jri s TRP 120 Cb -0.09 -1.07 0.12 0.00 -1.15 0.00 0.00 33.47 31.28 2jri s TRP 120 CO 0.27 0.12 0.34 -0.06 0.02 0.00 0.00 176.95 177.64 2jri s PHE 121 N -0.89 3.45 -0.57 -1.98 0.08 0.21 -4.67 117.98 113.62 2jri s PHE 121 Ca 0.08 -1.95 -0.28 0.00 0.12 0.00 0.00 56.93 54.89 2jri s PHE 121 Cb -0.09 -3.47 0.03 0.00 -0.57 0.00 0.00 43.02 38.92 2jri s PHE 121 CO 0.02 -0.99 1.20 0.99 -0.10 0.00 0.00 175.22 176.35 2jri s THR 122 N 1.30 4.01 -0.53 0.64 2.01 -1.26 -1.61 115.64 120.21 2jri s THR 122 Ca 0.06 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 62.89 2jri s THR 122 Cb -0.26 -4.70 0.14 0.00 0.01 0.00 0.00 72.50 67.69 2jri s THR 122 CO -0.01 -1.31 0.40 -0.69 -0.69 0.00 0.00 174.62 172.32 2jri s VAL 123 N 4.99 4.29 -0.07 3.82 1.01 -0.73 -0.89 120.40 132.83 2jri s VAL 123 Ca 0.44 -2.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.40 2jri s VAL 123 Cb -0.08 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2jri s VAL 123 CO 0.26 -0.82 0.03 -0.60 0.00 0.00 0.00 175.10 173.97 2jri s ARG 124 N 1.06 3.02 0.20 2.72 6.06 -0.50 -1.65 118.95 129.85 2jri s ARG 124 Ca 0.08 -0.41 -0.30 0.00 -2.50 0.00 0.00 55.73 52.60 2jri s ARG 124 Cb -0.24 -2.83 -0.08 0.00 0.06 0.00 0.00 34.95 31.86 2jri s ARG 124 CO -0.02 0.70 0.95 0.21 -2.50 0.00 0.00 175.30 174.64 2jri s LYS 125 N -1.08 4.80 -0.08 5.12 2.20 -1.00 -1.36 119.74 128.34 2jri s LYS 125 Ca 0.15 1.49 -0.01 0.00 -0.36 0.00 0.00 55.97 57.24 2jri s LYS 125 Cb -0.11 -3.31 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 2jri s LYS 125 CO 0.05 0.41 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.91 2jri s LEU 126 N -0.81 0.79 0.00 5.43 1.02 0.68 -4.74 118.68 121.05 2jri s LEU 126 Ca 0.43 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.43 2jri s LEU 126 Cb -0.25 -0.57 0.00 0.00 0.02 0.00 0.00 46.19 45.39 2jri s LEU 126 CO 0.32 -0.17 0.00 0.61 0.02 0.00 0.00 176.35 177.13 2jri n GLY 127 N 5.05 0.73 0.00 -3.19 0.00 -1.20 -0.94 105.19 105.64 2jri n GLY 127 Ca -0.09 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 1.59 -1.98 1.61 0.00 -1.25 -4.86 118.16 113.26 2jri n LYS 128 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.05 2jri n LYS 128 Cb 0.00 -0.28 0.17 0.00 0.00 0.00 0.00 35.03 34.93 2jri n LYS 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jri n GLN 129 N -0.26 -0.91 -4.24 1.64 -0.06 -0.12 -4.96 117.38 108.48 2jri n GLN 129 Ca 0.00 -2.12 -0.18 0.00 -2.00 0.00 0.00 57.00 52.70 2jri n GLN 129 Cb 0.00 -1.11 -0.11 0.00 -4.06 0.00 0.00 30.24 24.96 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2jri s TRP 130 N -3.52 1.41 0.03 3.69 0.52 -1.01 -0.23 118.94 119.83 2jri s TRP 130 Ca 0.69 -0.54 -0.03 0.00 0.02 0.00 0.00 56.10 56.23 2jri s TRP 130 Cb -0.02 -0.74 -0.02 0.00 -1.15 0.00 0.00 33.47 31.54 2jri s TRP 130 CO 0.48 0.14 0.04 -0.06 0.02 0.00 0.00 176.95 177.57 2jri s PHE 131 N -2.04 0.23 -0.13 -1.98 0.08 -0.46 -1.30 117.98 112.37 2jri s PHE 131 Ca 0.08 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.58 2jri s PHE 131 Cb -0.05 -0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.19 2jri s PHE 131 CO 0.03 -0.28 0.02 1.21 -0.10 0.00 0.00 175.22 176.10 2jri s ASN 132 N -1.81 5.31 -0.39 1.36 2.47 -1.23 -1.42 114.94 119.22 2jri s ASN 132 Ca -0.10 0.08 0.01 0.00 0.42 0.00 0.00 52.86 53.27 2jri s ASN 132 Cb -0.05 -1.73 0.12 0.00 -1.45 0.00 0.00 41.25 38.14 2jri s ASN 132 CO -0.03 0.27 0.19 -0.76 -3.72 0.00 0.00 177.10 173.05 2jri s LEU 133 N -0.21 2.66 0.08 3.21 1.43 -0.07 -3.62 118.68 122.17 2jri s LEU 133 Ca 0.06 -2.30 0.05 0.00 -1.03 0.00 0.00 54.13 50.90 2jri s LEU 133 Cb -0.12 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 2jri s LEU 133 CO 0.02 -0.32 -0.13 0.21 0.23 0.00 0.00 176.35 176.36 2jri s ASN 134 N 0.76 1.67 -1.24 2.29 2.47 -1.26 -4.18 114.94 115.44 2jri s ASN 134 Ca 0.15 -0.67 -0.19 0.00 0.42 0.00 0.00 52.86 52.57 2jri s ASN 134 Cb -0.22 -0.04 0.00 0.00 -1.45 0.00 0.00 41.25 39.54 2jri s ASN 134 CO -0.07 -0.12 1.88 -1.20 -3.72 0.00 0.00 177.10 173.87 2jri n SER 135 N 1.06 4.05 0.00 -4.21 7.64 -1.26 -3.74 113.62 117.16 2jri n SER 135 Ca -0.20 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 56.86 2jri n SER 135 Cb 0.55 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 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 9.65 0.00 -4.74 -3.43 7.94 -1.26 -5.12 117.00 120.05 2jri n LEU 136 Ca 0.48 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.96 2jri n LEU 136 Cb 0.45 0.28 -0.01 0.00 0.53 0.00 0.00 43.42 44.67 2jri n LEU 136 CO 0.79 -0.28 1.10 0.00 -1.11 0.00 0.00 177.39 177.88 2jri n LEU 137 N -1.89 4.19 -1.97 -1.96 -0.00 -1.25 -4.89 117.00 109.23 2jri n LEU 137 Ca 0.00 1.19 -0.21 0.00 -0.00 0.00 0.00 56.01 56.99 2jri n LEU 137 Cb 0.00 -1.56 0.08 0.00 -0.00 0.00 0.00 43.42 41.94 2jri n LEU 137 CO 0.00 -0.07 1.20 1.07 -0.00 0.00 0.00 177.39 179.60 2jri n THR 138 N 1.05 2.87 0.00 1.47 5.66 -1.26 -4.84 114.28 119.22 2jri n THR 138 Ca 0.05 -1.81 0.00 0.00 -3.05 0.00 0.00 64.05 59.24 2jri n THR 138 Cb 0.37 -1.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.14 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 -0.35 1.98 3.69 1.09 0.00 -1.26 -5.14 105.19 105.21 2jri n GLY 139 Ca 0.42 0.14 -0.45 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.14 2.32 -2.36 1.61 -0.02 -1.26 -4.92 135.00 130.22 2jri n PRO 140 Ca 0.00 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.89 2jri n PRO 140 Cb 0.00 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.85 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 0.72 4.26 -0.46 -0.52 2.02 -1.24 -4.83 118.70 118.65 2jri s GLU 141 Ca 0.76 1.76 -0.28 0.00 0.02 0.00 0.00 54.97 57.23 2jri s GLU 141 Cb -0.62 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 29.88 2jri s GLU 141 CO 0.39 -0.64 1.75 -1.17 0.02 0.00 0.00 175.26 175.61 2jri s LEU 142 N 3.11 3.43 -0.46 1.80 2.96 -1.26 -3.56 118.68 124.69 2jri s LEU 142 Ca 0.58 0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 55.18 2jri s LEU 142 Cb -0.25 -3.11 0.09 0.00 0.50 0.00 0.00 46.19 43.41 2jri s LEU 142 CO 0.20 -1.93 0.36 -0.63 -1.32 0.00 0.00 176.35 173.02 2jri s ILE 143 N 7.51 4.78 1.03 6.68 1.01 -0.42 -5.04 121.20 136.75 2jri s ILE 143 Ca 0.71 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 2jri s ILE 143 Cb -0.17 -3.93 0.21 0.00 0.01 0.00 0.00 42.46 38.58 2jri s ILE 143 CO 0.28 -0.61 1.20 -0.44 0.00 0.00 0.00 174.94 175.38 2jri s SER 144 N 2.56 2.48 0.03 3.58 0.01 -1.26 -2.40 113.70 118.69 2jri s SER 144 Ca 0.04 0.56 -0.27 0.00 1.31 0.00 0.00 55.95 57.59 2jri s SER 144 Cb -0.25 -0.81 -0.15 0.00 0.21 0.00 0.00 66.02 65.03 2jri s SER 144 CO 0.04 -3.15 1.22 0.44 0.41 0.00 0.00 173.24 172.19 2jri h ASP 145 N -1.92 -0.82 0.21 2.44 5.19 -1.98 0.09 116.42 119.63 2jri h ASP 145 Ca -0.46 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 2jri h ASP 145 Cb 1.28 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.99 2jri h ASP 145 CO 0.43 -0.51 -0.28 0.71 -3.12 0.00 0.00 179.24 176.47 2jri h THR 146 N -1.14 1.23 -0.47 0.35 1.35 -2.01 -2.56 112.91 109.66 2jri h THR 146 Ca -0.10 -1.10 -0.10 0.00 -0.55 0.00 0.00 66.41 64.56 2jri h THR 146 Cb 0.75 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 2jri h THR 146 CO 0.16 0.33 -0.09 0.22 -0.25 0.00 0.00 175.52 175.88 2jri h TYR 147 N 0.11 0.94 -0.96 4.73 3.20 -1.92 -2.73 116.97 120.33 2jri h TYR 147 Ca 0.02 -0.17 0.05 0.00 3.14 0.00 0.00 58.73 61.77 2jri h TYR 147 Cb 0.57 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2jri h TYR 147 CO 0.00 0.90 0.63 1.25 -1.64 0.00 0.00 178.16 179.30 2jri h LEU 148 N 0.77 1.01 -0.67 2.82 5.85 -0.54 0.36 115.31 124.91 2jri h LEU 148 Ca 0.13 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jri h LEU 148 Cb 0.60 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2jri h LEU 148 CO 0.04 0.66 0.41 0.00 -0.34 0.00 0.00 178.44 179.21 2jri h ALA 149 N 1.47 0.85 -0.30 1.25 0.00 -1.45 0.41 119.26 121.48 2jri h ALA 149 Ca 0.40 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2jri h ALA 149 Cb 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jri h ALA 149 CO -0.15 0.32 -0.23 1.25 0.00 0.00 0.00 179.25 180.44 2jri h LEU 150 N 0.91 0.73 -0.41 0.00 5.85 -1.17 -2.53 115.31 118.69 2jri h LEU 150 Ca 0.24 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.57 2jri h LEU 150 Cb -0.04 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2jri h LEU 150 CO -0.05 1.02 0.12 0.15 -0.34 0.00 0.00 178.44 179.34 2jri h PHE 151 N 0.45 0.21 -0.28 1.25 3.57 0.11 0.24 116.94 122.48 2jri h PHE 151 Ca 0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2jri h PHE 151 Cb 0.79 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2jri h PHE 151 CO 0.07 0.06 0.18 -0.07 -2.23 0.00 0.00 178.31 176.32 2jri h LEU 152 N 0.27 0.32 -0.42 0.59 -0.00 -0.89 -2.04 115.31 113.13 2jri h LEU 152 Ca 0.19 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2jri h LEU 152 Cb 0.20 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 2jri h LEU 152 CO -0.22 0.24 0.12 0.00 -0.00 0.00 0.00 178.44 178.58 2jri h ALA 153 N 1.09 0.55 -0.91 1.53 0.00 -0.98 -2.85 119.26 117.70 2jri h ALA 153 Ca 0.10 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jri h ALA 153 Cb -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2jri h ALA 153 CO -0.02 0.21 0.60 1.96 0.00 0.00 0.00 179.25 182.00 2jri h GLN 154 N 0.54 1.12 -0.79 0.00 1.08 -0.37 -1.59 115.11 115.10 2jri h GLN 154 Ca 0.13 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.23 2jri h GLN 154 Cb 0.28 -0.25 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 2jri h GLN 154 CO -0.00 0.74 0.36 -0.07 -0.95 0.00 0.00 178.83 178.90 2jri h LEU 155 N 1.15 1.05 -0.51 1.46 3.38 -1.17 0.12 115.31 120.79 2jri h LEU 155 Ca 0.36 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 2jri h LEU 155 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2jri h LEU 155 CO -0.11 0.90 0.04 1.56 0.09 0.00 0.00 178.44 180.93 2jri h GLN 156 N 1.14 0.88 -0.38 1.13 4.20 -1.11 0.48 115.11 121.45 2jri h GLN 156 Ca 0.27 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2jri h GLN 156 Cb 0.15 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2jri h GLN 156 CO -0.03 0.89 -0.37 1.96 -0.67 0.00 0.00 178.83 180.61 2jri h GLN 157 N 0.76 0.92 -0.25 1.46 4.20 -0.95 -3.08 115.11 118.16 2jri h GLN 157 Ca 0.15 -0.47 -0.09 0.00 0.06 0.00 0.00 58.65 58.30 2jri h GLN 157 Cb 0.47 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jri h GLN 157 CO 0.02 1.12 -0.23 1.49 -0.67 0.00 0.00 178.83 180.57 2jri h GLU 158 N 0.75 0.46 0.00 1.46 4.57 -0.64 -3.47 114.58 117.71 2jri h GLU 158 Ca 0.06 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2jri h GLU 158 Cb 0.96 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2jri h GLU 158 CO 0.09 0.66 0.00 0.41 -1.18 0.00 0.00 179.01 178.99 2jri n GLY 159 N -0.44 0.95 0.00 1.92 0.00 -0.41 -5.09 105.19 102.11 2jri n GLY 159 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jri n GLY 159 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jri n TYR 160 N 0.00 -2.70 -3.46 1.61 4.02 0.03 -4.89 117.16 111.76 2jri n TYR 160 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.60 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 2.72 -0.55 7.72 0.01 -0.99 -4.91 113.70 116.71 2jri s SER 161 Ca 0.00 -2.38 -0.27 0.00 1.31 0.00 0.00 55.95 54.61 2jri s SER 161 Cb 0.00 -0.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.79 2jri s SER 161 CO 0.00 -0.28 1.62 -0.63 0.41 0.00 0.00 173.24 174.36 2jri s ILE 162 N 0.83 3.59 -0.55 1.44 1.01 -1.26 -3.11 121.20 123.15 2jri s ILE 162 Ca 0.21 0.47 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 2jri s ILE 162 Cb -0.18 -4.16 0.14 0.00 0.01 0.00 0.00 42.46 38.27 2jri s ILE 162 CO -0.03 -0.98 0.49 -0.36 0.00 0.00 0.00 174.94 174.06 2jri s PHE 163 N 7.20 3.32 -0.07 3.97 0.08 0.11 -0.37 117.98 132.22 2jri s PHE 163 Ca 0.61 -1.47 -0.18 0.00 0.12 0.00 0.00 56.93 56.01 2jri s PHE 163 Cb -0.13 -3.74 -0.05 0.00 -0.57 0.00 0.00 43.02 38.53 2jri s PHE 163 CO 0.25 -1.01 0.50 0.54 -0.10 0.00 0.00 175.22 175.40 2jri s VAL 164 N 1.43 5.09 -0.15 -0.44 0.11 0.78 -0.60 120.40 126.62 2jri s VAL 164 Ca 0.05 1.03 -0.17 0.00 -2.93 0.00 0.00 61.98 59.95 2jri s VAL 164 Cb -0.28 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2jri s VAL 164 CO 0.01 0.38 0.45 -0.69 -3.33 0.00 0.00 175.10 171.93 2jri s VAL 165 N 0.20 5.19 -0.16 2.04 1.01 -0.65 -0.25 120.40 127.78 2jri s VAL 165 Ca 0.27 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 2jri s VAL 165 Cb -0.16 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2jri s VAL 165 CO 0.13 0.30 0.03 -0.54 0.00 0.00 0.00 175.10 175.02 2jri s LYS 166 N 0.86 3.74 0.00 2.72 -0.14 0.14 -4.46 119.74 122.59 2jri s LYS 166 Ca 0.24 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.46 2jri s LYS 166 Cb -0.15 -3.08 0.00 0.00 -1.68 0.00 0.00 37.83 32.92 2jri s LYS 166 CO 0.09 0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.44 2jri n GLY 167 N 3.26 0.82 3.59 -3.33 0.00 -1.26 -2.29 105.19 105.98 2jri n GLY 167 Ca -0.17 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.83 6.59 -0.05 1.61 1.01 -1.26 -4.91 116.67 118.83 2jri s ASP 168 Ca 0.00 0.38 -0.04 0.00 0.71 0.00 0.00 52.55 53.60 2jri s ASP 168 Cb 0.00 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2jri s ASP 168 CO 0.00 -0.89 0.13 -0.76 0.21 0.00 0.00 175.17 173.86 2jri s LEU 169 N 3.47 4.21 0.31 1.23 1.02 -1.26 -5.03 118.68 122.62 2jri s LEU 169 Ca 0.36 0.33 -0.29 0.00 0.02 0.00 0.00 54.13 54.55 2jri s LEU 169 Cb -0.12 -2.29 -0.12 0.00 0.02 0.00 0.00 46.19 43.68 2jri s LEU 169 CO 0.21 0.32 1.39 -0.81 0.02 0.00 0.00 176.35 177.48 2jri n PRO 170 N 1.44 2.24 -3.79 1.29 -0.04 -1.26 -5.01 135.00 129.88 2jri n PRO 170 Ca -0.15 0.79 -0.22 0.00 -0.04 0.00 0.00 63.50 63.88 2jri n PRO 170 Cb 0.53 -2.44 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 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 0.01 4.96 0.17 3.54 -4.77 -1.26 -4.67 116.67 114.64 2jri s ASP 171 Ca 0.60 -0.73 0.03 0.00 -3.30 0.00 0.00 52.55 49.15 2jri s ASP 171 Cb -0.57 -0.68 -0.01 0.00 -1.09 0.00 0.00 42.92 40.56 2jri s ASP 171 CO 0.57 -0.51 0.11 0.00 0.70 0.00 0.00 175.17 176.04 2jri h GLU 173 N 0.00 0.74 0.00 0.00 4.57 -1.92 -0.95 114.58 117.02 2jri h GLU 173 Ca -0.12 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2jri h GLU 173 Cb 0.56 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2jri h GLU 173 CO 0.19 0.49 0.00 0.00 -1.18 0.00 0.00 179.01 178.51 2jri h ALA 174 N 1.61 1.00 -0.01 2.92 0.00 -1.95 0.28 119.26 123.10 2jri h ALA 174 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2jri h ALA 174 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jri h ALA 174 CO -0.10 0.00 -0.28 -3.47 0.00 0.00 0.00 179.25 175.41 2jri n ASP 175 N -2.76 1.70 -0.03 0.00 2.03 -0.37 -3.25 116.55 113.87 2jri n ASP 175 Ca -0.01 -1.34 -0.03 0.00 0.52 0.00 0.00 54.79 53.94 2jri n ASP 175 Cb 0.16 0.23 -0.04 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.07 3.02 0.11 -0.67 6.02 -0.01 -3.24 117.38 122.54 2jri n GLN 176 Ca 0.12 -0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 2jri n GLN 176 Cb 0.42 -1.14 0.01 0.00 1.02 0.00 0.00 30.24 30.55 2jri n GLN 176 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 177.06 177.42 2jri h LEU 177 N 0.00 0.00 -2.24 1.08 8.10 -0.70 -3.33 115.31 118.21 2jri h LEU 177 Ca -0.15 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.78 2jri h LEU 177 Cb 1.33 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.51 2jri h LEU 177 CO 0.01 0.21 0.08 -0.11 -4.11 0.00 0.00 178.44 174.52 2jri n LEU 178 N -2.87 3.46 0.00 0.17 -0.00 -1.20 -3.51 117.00 113.05 2jri n LEU 178 Ca -0.02 -1.76 0.11 0.00 -0.00 0.00 0.00 56.01 54.35 2jri n LEU 178 Cb 0.64 -0.54 0.06 0.00 -0.00 0.00 0.00 43.42 43.58 2jri n LEU 178 CO 0.40 0.57 0.16 0.00 -0.00 0.00 0.00 177.39 178.52 2jri n GLN 179 N 0.31 0.05 -2.67 1.96 1.13 -1.25 -3.88 117.38 113.03 2jri n GLN 179 Ca 0.07 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.04 2jri n GLN 179 Cb 0.64 -1.52 0.05 0.00 0.11 0.00 0.00 30.24 29.53 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 -1.58 1.16 -4.92 -1.09 0.00 -1.23 -5.02 117.12 104.43 2jri n MET 180 Ca 0.04 -2.90 -0.33 0.00 0.00 0.00 0.00 57.70 54.52 2jri n MET 180 Cb 0.35 -0.95 -0.15 0.00 0.00 0.00 0.00 33.22 32.48 2jri n MET 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jri s ILE 181 N -2.31 2.82 0.00 3.17 -1.09 -1.26 -5.14 121.20 117.38 2jri s ILE 181 Ca 0.26 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2jri s ILE 181 Cb 0.44 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.19 2jri s ILE 181 CO 0.01 0.55 0.00 -1.14 -1.23 0.00 0.00 174.94 173.13