#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6r s HIS 2 N 0.00 3.24 -0.59 -1.40 5.65 -1.26 -4.99 115.29 115.94 1j6r s HIS 2 Ca 0.00 -0.60 0.06 0.00 0.25 0.00 0.00 55.06 54.77 1j6r s HIS 2 Cb 0.00 -2.63 0.26 0.00 -1.18 0.00 0.00 32.58 29.03 1j6r s HIS 2 CO 0.00 -0.60 0.73 -1.33 -0.65 0.00 0.00 174.74 172.89 1j6r n MET 3 N 5.18 2.29 -1.26 2.88 0.00 -1.26 -4.66 117.12 120.28 1j6r n MET 3 Ca -0.11 -4.44 -0.33 0.00 0.00 0.00 0.00 57.70 52.82 1j6r n MET 3 Cb 0.47 -2.08 0.11 0.00 0.00 0.00 0.00 33.22 31.71 1j6r n MET 3 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1j6r s PRO 4 N -2.38 1.93 0.01 0.03 0.04 -1.24 -4.84 135.00 128.55 1j6r s PRO 4 Ca 0.40 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 1j6r s PRO 4 Cb 0.17 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.92 1j6r s PRO 4 CO -0.04 -1.96 0.41 -1.59 0.04 0.00 0.00 177.00 173.86 1j6r s LYS 5 N -4.21 0.85 0.01 4.56 -2.85 -1.26 -2.20 119.74 114.64 1j6r s LYS 5 Ca 0.70 -0.22 0.04 0.00 -1.00 0.00 0.00 55.97 55.49 1j6r s LYS 5 Cb -0.26 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1j6r s LYS 5 CO 0.49 -0.27 -0.13 0.08 0.10 0.00 0.00 175.35 175.62 1j6r s VAL 6 N -1.92 1.02 -0.15 1.79 1.01 -0.06 -4.99 120.40 117.09 1j6r s VAL 6 Ca -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 1j6r s VAL 6 Cb -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 1j6r s VAL 6 CO 0.02 0.18 -0.08 -1.61 0.00 0.00 0.00 175.10 173.61 1j6r s GLU 7 N -0.59 3.50 -0.11 2.72 2.02 -1.26 -1.10 118.70 123.88 1j6r s GLU 7 Ca 0.04 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.43 1j6r s GLU 7 Cb -0.06 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 1j6r s GLU 7 CO 0.00 0.16 -0.16 0.42 0.02 0.00 0.00 175.26 175.70 1j6r s ILE 8 N 0.54 2.78 0.13 -1.63 1.01 -0.50 -5.02 121.20 118.51 1j6r s ILE 8 Ca -0.06 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 1j6r s ILE 8 Cb -0.15 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.10 1j6r s ILE 8 CO 0.03 0.54 1.61 0.00 0.00 0.00 0.00 174.94 177.12 1j6r s ALA 9 N 0.18 3.75 0.37 9.38 0.00 -1.26 -3.99 121.76 130.19 1j6r s ALA 9 Ca -0.09 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.35 1j6r s ALA 9 Cb -0.16 -3.65 1.08 0.00 0.00 0.00 0.00 23.12 20.39 1j6r s ALA 9 CO 0.06 -0.91 1.72 -1.35 0.00 0.00 0.00 175.76 175.28 1j6r h PRO 10 N 7.38 0.38 0.00 0.00 0.11 -1.87 0.12 132.00 138.12 1j6r h PRO 10 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1j6r h PRO 10 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j6r h PRO 10 CO 0.92 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.63 1j6r h SER 11 N 0.40 0.00 -0.01 -2.05 4.64 -1.90 -2.92 113.55 111.71 1j6r h SER 11 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 1j6r h SER 11 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1j6r h SER 11 CO -0.42 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.92 1j6r n GLU 12 N -2.78 1.32 -3.44 4.77 -0.58 0.40 -4.71 120.64 115.62 1j6r n GLU 12 Ca 0.01 -0.47 -0.42 0.00 -0.42 0.00 0.00 57.16 55.86 1j6r n GLU 12 Cb 0.28 -1.48 -0.10 0.00 -0.57 0.00 0.00 31.44 29.57 1j6r n GLU 12 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1j6r s ILE 13 N -2.00 5.22 -0.42 -3.67 1.01 -1.10 -5.02 121.20 115.23 1j6r s ILE 13 Ca 0.43 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 1j6r s ILE 13 Cb 0.21 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1j6r s ILE 13 CO 0.35 -0.26 0.29 -0.75 0.00 0.00 0.00 174.94 174.57 1j6r s LYS 14 N 1.81 2.89 -0.10 2.79 2.36 -1.26 -5.05 119.74 123.18 1j6r s LYS 14 Ca 0.07 -1.16 -0.16 0.00 -2.55 0.00 0.00 55.97 52.17 1j6r s LYS 14 Cb -0.18 -3.93 -0.05 0.00 -1.05 0.00 0.00 37.83 32.63 1j6r s LYS 14 CO 0.11 -0.82 0.41 0.42 1.55 0.00 0.00 175.35 177.01 1j6r s ILE 15 N 1.61 5.18 0.10 5.43 1.01 -1.26 -5.04 121.20 128.23 1j6r s ILE 15 Ca 0.04 0.81 -0.31 0.00 0.00 0.00 0.00 60.65 61.19 1j6r s ILE 15 Cb -0.21 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1j6r s ILE 15 CO 0.07 0.41 1.51 -2.84 0.00 0.00 0.00 174.94 174.09 1j6r s PRO 16 N 0.13 4.25 0.19 2.79 0.02 -1.26 -4.91 135.00 136.21 1j6r s PRO 16 Ca 0.23 2.21 -0.13 0.00 0.02 0.00 0.00 61.00 63.33 1j6r s PRO 16 Cb -0.15 -3.35 0.22 0.00 0.02 0.00 0.00 34.50 31.23 1j6r s PRO 16 CO 0.09 -0.58 1.24 -0.25 -0.33 0.00 0.00 177.00 177.17 1j6r n ASP 17 N 4.56 -0.49 0.27 2.53 8.00 -1.26 0.17 116.55 130.34 1j6r n ASP 17 Ca 0.13 1.39 0.13 0.00 0.71 0.00 0.00 54.79 57.15 1j6r n ASP 17 Cb 0.41 -0.33 0.75 0.00 -0.02 0.00 0.00 41.12 41.93 1j6r n ASP 17 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1j6r h ASN 18 N 0.00 0.00 -0.15 -2.24 2.35 -1.99 -1.42 115.58 112.12 1j6r h ASN 18 Ca 0.29 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1j6r h ASN 18 Cb 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1j6r h ASN 18 CO -0.80 0.10 -0.42 0.58 -1.65 0.00 0.00 177.43 175.25 1j6r h VAL 19 N 0.00 1.29 0.38 2.81 2.07 -0.64 -2.28 116.25 119.87 1j6r h VAL 19 Ca -0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1j6r h VAL 19 Cb 0.29 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1j6r h VAL 19 CO 0.01 0.51 -0.18 -0.07 0.02 0.00 0.00 177.57 177.87 1j6r h LEU 20 N 0.56 -0.43 -0.01 2.57 3.38 -1.10 -2.06 115.31 118.21 1j6r h LEU 20 Ca 0.04 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1j6r h LEU 20 Cb 0.96 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1j6r h LEU 20 CO 0.09 -0.14 -0.36 0.11 0.09 0.00 0.00 178.44 178.22 1j6r h LYS 21 N -0.72 -0.49 -0.98 1.13 1.57 -1.54 -0.98 116.57 114.56 1j6r h LYS 21 Ca -0.05 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.88 1j6r h LYS 21 Cb 0.50 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 1j6r h LYS 21 CO 0.09 -0.33 0.62 0.00 -0.57 0.00 0.00 179.45 179.26 1j6r h ALA 22 N 0.16 1.58 -0.89 3.86 0.00 -1.40 0.56 119.26 123.12 1j6r h ALA 22 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1j6r h ALA 22 Cb 0.60 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1j6r h ALA 22 CO -0.30 0.18 0.58 -0.22 0.00 0.00 0.00 179.25 179.49 1j6r h LYS 23 N 0.94 1.08 -0.62 0.00 1.63 -0.47 -2.87 116.57 116.26 1j6r h LYS 23 Ca 0.49 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 1j6r h LYS 23 Cb 0.52 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1j6r h LYS 23 CO -0.25 0.72 0.00 1.28 -3.45 0.00 0.00 179.45 177.75 1j6r n LEU 24 N -4.53 3.40 -0.49 5.20 4.77 -0.42 -4.92 117.00 120.02 1j6r n LEU 24 Ca 0.11 -1.72 -0.04 0.00 -0.03 0.00 0.00 56.01 54.33 1j6r n LEU 24 Cb 0.09 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1j6r n LEU 24 CO 0.34 0.56 -0.06 0.61 -1.33 0.00 0.00 177.39 177.51 1j6r n GLY 25 N 0.79 0.22 3.23 -0.72 0.00 -0.81 -5.02 105.19 102.88 1j6r n GLY 25 Ca 0.17 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1j6r n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j6r s PHE 26 N -2.22 2.83 1.02 1.61 2.99 0.06 -4.98 117.98 119.28 1j6r s PHE 26 Ca 0.00 -1.23 -0.13 0.00 0.00 0.00 0.00 56.93 55.57 1j6r s PHE 26 Cb 0.00 -1.96 0.12 0.00 0.00 0.00 0.00 43.02 41.18 1j6r s PHE 26 CO 0.00 -0.61 0.58 0.41 -0.00 0.00 0.00 175.22 175.60 1j6r n GLY 27 N 4.45 -1.75 3.52 4.36 0.00 -1.26 -3.31 105.19 111.20 1j6r n GLY 27 Ca -0.19 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 1j6r n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j6r n GLY 28 N 1.26 -0.04 0.75 -0.02 0.00 -1.26 -4.53 105.19 101.35 1j6r n GLY 28 Ca 0.06 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1j6r n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6r n ALA 29 N 14.66 2.51 0.00 4.61 0.00 -1.26 -4.94 120.51 136.08 1j6r n ALA 29 Ca 0.41 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1j6r n ALA 29 Cb 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1j6r n ALA 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1j6r n GLU 30 N 0.78 0.00 -4.18 0.00 1.02 -1.26 -4.58 120.64 112.42 1j6r n GLU 30 Ca 0.17 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.14 1j6r n GLU 30 Cb 0.47 -0.97 -0.12 0.00 -0.02 0.00 0.00 31.44 30.80 1j6r n GLU 30 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1j6r s GLU 31 N 0.00 0.76 0.33 3.49 2.02 -1.26 -5.12 118.70 118.92 1j6r s GLU 31 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 54.97 53.93 1j6r s GLU 31 Cb 0.00 -0.71 -0.10 0.00 0.10 0.00 0.00 34.13 33.43 1j6r s GLU 31 CO 0.00 0.16 0.87 0.42 0.02 0.00 0.00 175.26 176.73 1j6r s ILE 32 N -1.18 4.40 0.05 -1.63 1.01 -1.26 -4.98 121.20 117.60 1j6r s ILE 32 Ca -0.03 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 1j6r s ILE 32 Cb -0.09 -3.81 -0.16 0.00 0.01 0.00 0.00 42.46 38.41 1j6r s ILE 32 CO 0.02 -0.02 0.73 -2.65 0.00 0.00 0.00 174.94 173.01 1j6r n PRO 33 N 0.12 0.00 0.13 2.79 -0.01 -1.26 -4.63 135.00 132.13 1j6r n PRO 33 Ca 0.03 0.00 0.18 0.00 -0.01 0.00 0.00 63.50 63.70 1j6r n PRO 33 Cb 0.52 -1.09 0.76 0.00 -0.01 0.00 0.00 33.50 33.68 1j6r n PRO 33 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 175.50 176.42 1j6r h GLU 34 N 1.92 0.00 0.00 -0.52 5.08 -1.98 -1.53 114.58 117.55 1j6r h GLU 34 Ca -0.36 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.91 1j6r h GLU 34 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1j6r h GLU 34 CO 0.51 0.00 -0.43 1.05 -1.00 0.00 0.00 179.01 179.14 1j6r h GLU 35 N 0.00 0.00 -0.01 2.33 9.09 -2.05 -2.85 114.58 121.09 1j6r h GLU 35 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 1j6r h GLU 35 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1j6r h GLU 35 CO -0.00 0.43 -0.54 1.19 0.05 0.00 0.00 179.01 180.14 1j6r n PHE 36 N -3.75 0.00 -0.06 2.06 3.01 -0.63 -4.67 117.46 113.43 1j6r n PHE 36 Ca -0.01 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.30 1j6r n PHE 36 Cb 0.50 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 1j6r n PHE 36 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1j6r h ARG 37 N 1.63 0.71 -0.23 -1.08 2.43 -1.16 -2.51 114.38 114.17 1j6r h ARG 37 Ca 0.00 -0.49 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1j6r h ARG 37 Cb 0.62 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1j6r h ARG 37 CO 0.00 1.11 0.06 0.87 -1.51 0.00 0.00 179.97 180.50 1j6r h LYS 38 N 0.43 0.32 -0.12 0.20 1.57 -1.83 -2.25 116.57 114.88 1j6r h LYS 38 Ca -0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.51 1j6r h LYS 38 Cb 1.12 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1j6r h LYS 38 CO 0.11 0.31 -0.82 1.15 -0.57 0.00 0.00 179.45 179.63 1j6r h THR 39 N 0.32 1.28 0.24 -0.16 2.02 -1.81 -2.19 112.91 112.61 1j6r h THR 39 Ca 0.08 -2.01 -0.00 0.00 0.77 0.00 0.00 66.41 65.24 1j6r h THR 39 Cb 0.13 2.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1j6r h THR 39 CO -0.00 0.64 -0.17 0.58 0.37 0.00 0.00 175.52 176.93 1j6r h VAL 40 N 0.50 0.64 -0.66 3.16 2.07 -1.37 -1.07 116.25 119.51 1j6r h VAL 40 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1j6r h VAL 40 Cb 1.45 0.64 -0.13 0.00 -1.52 0.00 0.00 31.29 31.74 1j6r h VAL 40 CO 0.17 0.00 -0.21 0.78 0.02 0.00 0.00 177.57 178.33 1j6r h ASN 41 N -0.41 -0.77 0.23 0.57 2.35 -1.41 -1.86 115.58 114.28 1j6r h ASN 41 Ca -0.02 0.21 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 1j6r h ASN 41 Cb 0.35 0.46 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1j6r h ASN 41 CO 0.00 -0.25 -0.64 -0.09 -1.65 0.00 0.00 177.43 174.81 1j6r h ARG 42 N -0.04 0.39 0.32 0.81 1.12 -1.19 -2.77 114.38 113.03 1j6r h ARG 42 Ca 0.31 -0.29 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1j6r h ARG 42 Cb 0.52 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1j6r h ARG 42 CO -0.70 0.90 -0.34 0.00 -3.11 0.00 0.00 179.97 176.72 1j6r h ALA 43 N 1.02 -0.72 -0.70 2.80 0.00 -0.60 -1.74 119.26 119.32 1j6r h ALA 43 Ca -0.01 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.94 1j6r h ALA 43 Cb 1.19 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1j6r h ALA 43 CO 0.11 -0.94 0.48 -0.92 0.00 0.00 0.00 179.25 177.97 1j6r h TYR 44 N -0.70 0.34 -0.02 0.00 3.20 -1.23 -1.10 116.97 117.47 1j6r h TYR 44 Ca -0.02 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.61 1j6r h TYR 44 Cb 0.64 -0.11 0.02 0.00 1.54 0.00 0.00 36.73 38.82 1j6r h TYR 44 CO -0.21 0.13 -0.97 0.93 -1.64 0.00 0.00 178.16 176.40 1j6r h GLU 45 N 0.29 0.68 -0.51 1.82 4.39 -1.13 -1.86 114.58 118.28 1j6r h GLU 45 Ca 0.34 -0.71 -0.07 0.00 0.34 0.00 0.00 59.36 59.26 1j6r h GLU 45 Cb 0.93 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 1j6r h GLU 45 CO -0.09 1.30 0.02 0.93 -1.16 0.00 0.00 179.01 180.01 1j6r h GLU 46 N 0.35 0.84 -0.55 2.33 4.39 -0.76 -2.91 114.58 118.28 1j6r h GLU 46 Ca -0.12 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.30 1j6r h GLU 46 Cb 1.63 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.16 1j6r h GLU 46 CO 0.19 0.83 0.10 1.25 -1.16 0.00 0.00 179.01 180.22 1j6r h LEU 47 N 0.78 0.86 -2.05 1.33 5.85 -1.11 -1.80 115.31 119.18 1j6r h LEU 47 Ca 0.15 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.64 1j6r h LEU 47 Cb 0.45 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1j6r h LEU 47 CO 0.02 0.89 0.06 -0.07 -0.34 0.00 0.00 178.44 179.00 1j6r h LEU 48 N 0.79 0.00 0.17 2.25 3.38 -1.19 -1.59 115.31 119.12 1j6r h LEU 48 Ca 0.17 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.82 1j6r h LEU 48 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1j6r h LEU 48 CO 0.01 0.00 -1.54 -0.78 0.09 0.00 0.00 178.44 176.22 1j6r h ASP 49 N 0.00 0.56 0.68 -0.43 1.82 -1.24 -3.38 116.42 114.42 1j6r h ASP 49 Ca 0.04 -0.71 0.00 0.00 -0.39 0.00 0.00 57.03 55.97 1j6r h ASP 49 Cb 0.16 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1j6r h ASP 49 CO -0.00 1.58 -1.29 0.00 -1.61 0.00 0.00 179.24 177.92 1j6r n ALA 50 N -2.71 2.65 -2.24 -0.78 0.00 -0.72 -4.96 120.51 111.75 1j6r n ALA 50 Ca -0.17 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 1j6r n ALA 50 Cb 1.06 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.47 1j6r n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j6r s ALA 51 N -3.40 3.32 -0.62 0.00 0.00 -0.62 -4.22 121.76 116.22 1j6r s ALA 51 Ca -0.02 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1j6r s ALA 51 Cb 0.11 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.25 1j6r s ALA 51 CO 0.83 0.06 0.42 0.15 0.00 0.00 0.00 175.76 177.22 1j6r s LYS 52 N -0.24 2.07 -0.03 0.00 1.02 -0.18 -4.70 119.74 117.67 1j6r s LYS 52 Ca 0.42 -2.96 -0.30 0.00 0.02 0.00 0.00 55.97 53.15 1j6r s LYS 52 Cb -0.23 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1j6r s LYS 52 CO 0.27 -1.27 1.49 -2.14 -0.92 0.00 0.00 175.35 172.78 1j6r s PRO 53 N -0.93 4.24 -0.05 -1.68 0.02 -1.26 -4.16 135.00 131.18 1j6r s PRO 53 Ca 0.25 2.04 0.03 0.00 0.02 0.00 0.00 61.00 63.34 1j6r s PRO 53 Cb -0.07 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.72 1j6r s PRO 53 CO -0.14 -0.69 -0.15 0.08 -0.33 0.00 0.00 177.00 175.78 1j6r s VAL 54 N 3.05 1.25 -0.09 3.83 1.01 -0.49 -1.41 120.40 127.55 1j6r s VAL 54 Ca 0.67 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1j6r s VAL 54 Cb -0.32 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1j6r s VAL 54 CO 0.26 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.84 1j6r s VAL 55 N 0.22 1.80 0.10 2.92 1.01 -0.25 -1.79 120.40 124.40 1j6r s VAL 55 Ca -0.07 -0.87 0.10 0.00 0.00 0.00 0.00 61.98 61.14 1j6r s VAL 55 Cb -0.12 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1j6r s VAL 55 CO 0.02 0.50 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 1j6r s LEU 56 N 0.40 2.44 0.31 3.92 1.02 0.16 -0.88 118.68 126.05 1j6r s LEU 56 Ca -0.17 -0.63 0.00 0.00 0.02 0.00 0.00 54.13 53.36 1j6r s LEU 56 Cb -0.17 -1.36 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 1j6r s LEU 56 CO 0.07 0.20 0.36 -1.66 0.02 0.00 0.00 176.35 175.34 1j6r s TRP 57 N -1.03 1.27 -0.26 0.29 -2.14 -0.93 -1.20 118.94 114.93 1j6r s TRP 57 Ca 0.15 -1.39 -0.16 0.00 2.66 0.00 0.00 56.10 57.36 1j6r s TRP 57 Cb -0.10 -0.35 0.08 0.00 -3.10 0.00 0.00 33.47 29.99 1j6r s TRP 57 CO 0.06 -0.96 0.65 0.50 -2.66 0.00 0.00 176.95 174.55 1j6r s ARG 58 N -3.42 0.68 -0.03 3.25 3.52 -0.92 -3.68 118.95 118.35 1j6r s ARG 58 Ca 0.35 1.15 -0.06 0.00 -0.13 0.00 0.00 55.73 57.04 1j6r s ARG 58 Cb 0.02 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1j6r s ARG 58 CO 0.21 -0.15 0.22 -0.51 -0.81 0.00 0.00 175.30 174.26 1j6r s ASP 59 N 1.51 6.45 -0.07 -2.12 1.11 -1.26 -1.50 116.67 120.78 1j6r s ASP 59 Ca -0.09 0.50 0.01 0.00 0.18 0.00 0.00 52.55 53.14 1j6r s ASP 59 Cb -0.05 -2.07 0.02 0.00 1.07 0.00 0.00 42.92 41.89 1j6r s ASP 59 CO -0.18 0.29 -0.07 -0.36 1.18 0.00 0.00 175.17 176.04 1j6r s PHE 60 N -1.24 1.16 -0.18 4.23 0.40 -0.99 -4.99 117.98 116.37 1j6r s PHE 60 Ca 0.24 -0.45 -0.28 0.00 -0.60 0.00 0.00 56.93 55.85 1j6r s PHE 60 Cb -0.13 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.44 1j6r s PHE 60 CO 0.14 -0.32 0.96 -1.21 0.70 0.00 0.00 175.22 175.49 1j6r s GLU 61 N 1.17 4.31 -0.02 0.44 2.02 -1.26 -0.15 118.70 125.21 1j6r s GLU 61 Ca -0.06 1.24 0.02 0.00 0.02 0.00 0.00 54.97 56.19 1j6r s GLU 61 Cb -0.14 -3.60 -0.03 0.00 0.10 0.00 0.00 34.13 30.47 1j6r s GLU 61 CO -0.02 -0.46 0.00 1.33 0.02 0.00 0.00 175.26 176.14 1j6r n VAL 62 N 4.95 0.15 -3.75 2.63 0.24 0.12 -4.96 118.33 117.71 1j6r n VAL 62 Ca 0.09 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.34 62.06 1j6r n VAL 62 Cb 0.48 -0.92 0.04 0.00 -1.47 0.00 0.00 33.84 31.97 1j6r n VAL 62 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1j6r n ASP 63 N -2.12 -2.65 0.00 -1.34 -0.08 -1.09 -3.57 116.55 105.70 1j6r n ASP 63 Ca -0.04 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.46 1j6r n ASP 63 Cb 0.57 -4.11 0.00 0.00 2.34 0.00 0.00 41.12 39.92 1j6r n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1j6r n GLY 64 N -1.62 3.04 3.83 0.27 0.00 0.67 -4.91 105.19 106.47 1j6r n GLY 64 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1j6r n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6r s SER 65 N 0.59 6.05 -0.38 1.61 1.04 -1.23 -0.99 113.70 120.38 1j6r s SER 65 Ca 0.00 1.61 0.05 0.00 0.48 0.00 0.00 55.95 58.10 1j6r s SER 65 Cb 0.00 -2.50 0.47 0.00 0.10 0.00 0.00 66.02 64.09 1j6r s SER 65 CO 0.00 -0.99 1.48 0.18 0.98 0.00 0.00 173.24 174.90 1j6r n LEU 66 N -2.28 5.32 -3.78 2.42 4.77 -1.26 -4.81 117.00 117.38 1j6r n LEU 66 Ca 0.07 -4.33 -0.13 0.00 -0.03 0.00 0.00 56.01 51.60 1j6r n LEU 66 Cb 0.54 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 1j6r n LEU 66 CO 0.51 1.69 -0.11 -0.94 -1.33 0.00 0.00 177.39 177.21 1j6r s SER 67 N -2.84 -0.25 0.00 -1.43 1.04 -1.26 -1.70 113.70 107.25 1j6r s SER 67 Ca 0.52 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1j6r s SER 67 Cb 0.43 0.47 0.00 0.00 0.10 0.00 0.00 66.02 67.02 1j6r s SER 67 CO 0.01 -0.10 0.00 2.22 0.98 0.00 0.00 173.24 176.35 1j6r n PHE 68 N 3.20 0.00 -2.17 5.02 1.16 -0.94 -5.01 117.46 118.72 1j6r n PHE 68 Ca -0.15 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.00 1j6r n PHE 68 Cb 0.57 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.42 1j6r n PHE 68 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1j6r s ASP 69 N 1.00 6.14 -1.79 5.98 -1.08 -1.26 -3.66 116.67 122.00 1j6r s ASP 69 Ca 0.00 1.10 0.00 0.00 -0.52 0.00 0.00 52.55 53.13 1j6r s ASP 69 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1j6r s ASP 69 CO 0.00 -1.55 0.00 -0.67 0.52 0.00 0.00 175.17 173.47 1j6r n ASP 70 N 9.46 -5.53 -3.62 -0.34 2.03 -1.26 -4.95 116.55 112.34 1j6r n ASP 70 Ca 0.20 0.13 -0.14 0.00 0.52 0.00 0.00 54.79 55.50 1j6r n ASP 70 Cb 0.47 -4.68 -0.07 0.00 -0.72 0.00 0.00 41.12 36.12 1j6r n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j6r s MET 71 N -4.71 0.83 -0.06 -0.67 0.23 -1.24 -5.00 119.30 108.68 1j6r s MET 71 Ca 0.00 0.89 -0.02 0.00 -1.03 0.00 0.00 55.69 55.53 1j6r s MET 71 Cb 0.00 0.40 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 1j6r s MET 71 CO 0.00 -0.12 0.03 -0.98 -2.03 0.00 0.00 175.02 171.92 1j6r s ARG 72 N 0.21 0.26 0.21 3.16 1.70 -1.26 -2.20 118.95 121.03 1j6r s ARG 72 Ca -0.01 0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 55.43 1j6r s ARG 72 Cb -0.05 -0.76 -0.06 0.00 -0.57 0.00 0.00 34.95 33.51 1j6r s ARG 72 CO 0.01 -0.32 0.48 -1.17 -1.08 0.00 0.00 175.30 173.22 1j6r s LEU 73 N 2.07 4.18 0.00 -1.89 0.20 -0.69 -5.01 118.68 117.54 1j6r s LEU 73 Ca 0.05 0.72 0.00 0.00 0.69 0.00 0.00 54.13 55.59 1j6r s LEU 73 Cb -0.12 -3.48 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 1j6r s LEU 73 CO -0.04 -0.06 0.53 0.35 -0.29 0.00 0.00 176.35 176.84 1j6r n THR 74 N -0.30 0.00 -1.83 3.68 -2.24 -1.26 -4.82 114.28 107.51 1j6r n THR 74 Ca -0.01 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.58 1j6r n THR 74 Cb 0.53 0.34 0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1j6r n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j6r n GLY 75 N 0.00 -0.85 0.09 3.38 0.00 -1.26 -4.95 105.19 101.59 1j6r n GLY 75 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.22 1j6r n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j6r n GLU 76 N -2.69 0.63 0.10 1.61 1.02 -1.26 -2.77 120.64 117.29 1j6r n GLU 76 Ca 0.11 0.17 -0.04 0.00 -0.02 0.00 0.00 57.16 57.38 1j6r n GLU 76 Cb 0.38 -1.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.11 1j6r n GLU 76 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1j6r h LEU 77 N 0.00 0.02 -0.09 -4.62 5.85 -1.98 -0.21 115.31 114.28 1j6r h LEU 77 Ca -0.23 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1j6r h LEU 77 Cb 1.71 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.73 1j6r h LEU 77 CO 0.05 0.79 -0.24 0.00 -0.34 0.00 0.00 178.44 178.70 1j6r h ALA 78 N 1.21 0.15 -0.37 1.25 0.00 -1.95 -2.99 119.26 116.56 1j6r h ALA 78 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1j6r h ALA 78 Cb 1.37 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1j6r h ALA 78 CO 0.10 0.13 0.07 1.15 0.00 0.00 0.00 179.25 180.70 1j6r h THR 79 N -0.15 1.23 0.00 0.00 2.02 -1.52 0.48 112.91 114.97 1j6r h THR 79 Ca -0.00 -0.82 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 1j6r h THR 79 Cb 0.85 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1j6r h THR 79 CO 0.05 0.28 -0.42 0.50 0.37 0.00 0.00 175.52 176.30 1j6r h LYS 80 N 0.45 0.00 0.00 6.66 1.63 -1.16 -3.20 116.57 120.96 1j6r h LYS 80 Ca 0.11 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.87 1j6r h LYS 80 Cb 0.34 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1j6r h LYS 80 CO 0.00 0.42 -1.37 0.72 -3.45 0.00 0.00 179.45 175.77 1j6r n HIS 81 N -3.27 0.00 -0.01 1.91 8.25 -1.13 -4.84 115.22 116.13 1j6r n HIS 81 Ca 0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1j6r n HIS 81 Cb 0.65 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 1j6r n HIS 81 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1j6r n LEU 82 N -1.95 0.00 -4.77 2.41 4.77 0.16 -4.62 117.00 113.01 1j6r n LEU 82 Ca -0.05 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.63 1j6r n LEU 82 Cb 0.40 0.02 0.11 0.00 -2.33 0.00 0.00 43.42 41.62 1j6r n LEU 82 CO 0.14 0.02 0.69 -0.94 -1.33 0.00 0.00 177.39 175.98 1j6r s SER 83 N -2.88 4.12 -0.34 -1.43 1.04 -1.00 -3.81 113.70 109.39 1j6r s SER 83 Ca -0.02 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.83 1j6r s SER 83 Cb 0.04 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1j6r s SER 83 CO 0.26 -2.22 0.00 0.61 0.98 0.00 0.00 173.24 172.86 1j6r n GLY 84 N -1.65 0.59 3.91 7.32 0.00 -0.16 -4.98 105.19 110.22 1j6r n GLY 84 Ca 0.07 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1j6r n GLY 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j6r s SER 85 N -2.40 6.45 0.01 1.61 1.04 -1.25 -4.65 113.70 114.51 1j6r s SER 85 Ca 0.00 0.56 -0.20 0.00 0.48 0.00 0.00 55.95 56.79 1j6r s SER 85 Cb 0.00 -2.08 -0.20 0.00 0.10 0.00 0.00 66.02 63.85 1j6r s SER 85 CO 0.00 -0.05 1.18 0.50 0.98 0.00 0.00 173.24 175.85 1j6r h LYS 86 N 2.23 0.38 -5.67 4.02 3.64 -1.31 0.19 116.57 120.05 1j6r h LYS 86 Ca -0.47 -0.32 -0.57 0.00 -1.27 0.00 0.00 60.65 58.02 1j6r h LYS 86 Cb 1.18 0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 32.77 1j6r h LYS 86 CO 0.69 0.97 -0.84 0.42 -2.27 0.00 0.00 179.45 178.42 1j6r s ILE 87 N -3.58 1.46 -0.19 2.00 1.01 -1.21 0.14 121.20 120.83 1j6r s ILE 87 Ca -0.14 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1j6r s ILE 87 Cb 0.04 -1.22 0.04 0.00 0.01 0.00 0.00 42.46 41.33 1j6r s ILE 87 CO 0.79 0.41 -0.11 -0.63 0.00 0.00 0.00 174.94 175.40 1j6r s ILE 88 N -0.32 1.67 -0.07 2.92 1.01 0.79 -0.88 121.20 126.32 1j6r s ILE 88 Ca 0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 1j6r s ILE 88 Cb -0.08 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1j6r s ILE 88 CO -0.00 0.22 0.56 -0.89 0.00 0.00 0.00 174.94 174.83 1j6r s THR 89 N 1.39 5.07 -0.22 2.92 2.01 0.12 -2.34 115.64 124.59 1j6r s THR 89 Ca -0.00 1.16 -0.07 0.00 0.31 0.00 0.00 61.69 63.09 1j6r s THR 89 Cb -0.16 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1j6r s THR 89 CO -0.09 0.34 0.05 0.54 -0.69 0.00 0.00 174.62 174.77 1j6r s VAL 90 N 0.41 4.25 0.31 3.82 0.11 -0.57 -0.36 120.40 128.37 1j6r s VAL 90 Ca 0.30 -0.20 0.08 0.00 -2.93 0.00 0.00 61.98 59.23 1j6r s VAL 90 Cb -0.17 -2.96 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 1j6r s VAL 90 CO 0.14 0.38 0.20 -0.36 -3.33 0.00 0.00 175.10 172.14 1j6r s PHE 91 N 1.26 2.88 -0.14 1.54 0.40 -0.88 -2.17 117.98 120.87 1j6r s PHE 91 Ca 0.04 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1j6r s PHE 91 Cb -0.15 -1.61 0.06 0.00 0.51 0.00 0.00 43.02 41.84 1j6r s PHE 91 CO 0.03 0.34 0.32 -1.17 0.70 0.00 0.00 175.22 175.44 1j6r s LEU 92 N -3.89 -0.06 -0.01 -0.37 2.96 -0.34 -3.14 118.68 113.82 1j6r s LEU 92 Ca 0.37 0.71 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 1j6r s LEU 92 Cb -0.06 0.98 -0.01 0.00 0.50 0.00 0.00 46.19 47.60 1j6r s LEU 92 CO 0.25 -0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 174.91 1j6r s ALA 93 N 1.80 1.37 0.04 5.97 0.00 -0.60 -0.67 121.76 129.66 1j6r s ALA 93 Ca -0.06 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 1j6r s ALA 93 Cb -0.11 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1j6r s ALA 93 CO -0.10 0.33 0.34 -0.08 0.00 0.00 0.00 175.76 176.25 1j6r s THR 94 N -0.37 0.07 -0.83 0.00 -1.32 -0.74 -0.62 115.64 111.83 1j6r s THR 94 Ca 0.06 -0.58 0.19 0.00 -1.21 0.00 0.00 61.69 60.14 1j6r s THR 94 Cb -0.07 -0.91 -0.21 0.00 -1.51 0.00 0.00 72.50 69.81 1j6r s THR 94 CO -0.01 -0.32 0.77 0.18 -2.21 0.00 0.00 174.62 173.04 1j6r n LEU 95 N 0.64 0.83 0.00 9.08 4.77 -0.81 -1.40 117.00 130.11 1j6r n LEU 95 Ca -0.19 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1j6r n LEU 95 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1j6r n LEU 95 CO 0.21 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1j6r n GLY 96 N 1.44 0.59 0.20 -0.72 0.00 -1.26 -1.01 105.19 104.44 1j6r n GLY 96 Ca 0.03 -1.90 0.10 0.00 0.00 0.00 0.00 46.02 44.24 1j6r n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1j6r h LYS 97 N 0.00 0.00 0.00 1.61 2.10 -1.92 -3.23 116.57 115.13 1j6r h LYS 97 Ca 0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1j6r h LYS 97 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1j6r h LYS 97 CO 0.00 0.13 -0.02 0.87 -2.00 0.00 0.00 179.45 178.44 1j6r h LYS 98 N 0.00 0.00 -0.17 0.07 1.57 -1.85 -2.30 116.57 113.89 1j6r h LYS 98 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1j6r h LYS 98 Cb 1.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1j6r h LYS 98 CO 0.02 0.02 -0.16 0.28 -0.57 0.00 0.00 179.45 179.03 1j6r h VAL 99 N 0.00 1.33 -1.00 0.50 2.07 -1.73 -2.26 116.25 115.16 1j6r h VAL 99 Ca -0.00 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.28 1j6r h VAL 99 Cb 0.48 1.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1j6r h VAL 99 CO 0.00 0.39 0.65 0.44 0.02 0.00 0.00 177.57 179.07 1j6r h ASP 100 N 0.07 1.05 -0.47 0.57 5.19 -1.59 -1.85 116.42 119.39 1j6r h ASP 100 Ca 0.03 0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1j6r h ASP 100 Cb 0.69 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1j6r h ASP 100 CO 0.04 0.68 -0.20 -0.33 -3.12 0.00 0.00 179.24 176.31 1j6r h GLU 101 N 1.19 0.96 -0.68 3.56 5.08 -1.36 -1.33 114.58 122.01 1j6r h GLU 101 Ca 0.43 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1j6r h GLU 101 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1j6r h GLU 101 CO -0.16 1.08 0.21 -0.22 -1.00 0.00 0.00 179.01 178.91 1j6r h LYS 102 N 0.81 1.04 -0.27 2.33 1.63 -1.05 -0.60 116.57 120.45 1j6r h LYS 102 Ca 0.11 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 1j6r h LYS 102 Cb 0.78 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1j6r h LYS 102 CO 0.06 0.89 -0.01 0.82 -3.45 0.00 0.00 179.45 177.76 1j6r h ILE 103 N 1.00 1.26 -0.11 2.00 2.04 -1.21 -2.13 117.51 120.36 1j6r h ILE 103 Ca 0.22 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1j6r h ILE 103 Cb 0.29 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1j6r h ILE 103 CO -0.01 0.30 -0.30 -0.08 0.00 0.00 0.00 178.15 178.07 1j6r h GLU 104 N 0.27 0.21 -0.59 2.37 4.57 -1.12 -2.44 114.58 117.85 1j6r h GLU 104 Ca 0.08 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1j6r h GLU 104 Cb 0.45 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1j6r h GLU 104 CO 0.02 0.50 0.39 1.49 -1.18 0.00 0.00 179.01 180.22 1j6r h GLU 105 N 0.19 0.76 0.11 1.92 4.81 -0.73 -1.50 114.58 120.13 1j6r h GLU 105 Ca 0.03 -0.05 -0.27 0.00 -0.13 0.00 0.00 59.36 58.94 1j6r h GLU 105 Cb 0.63 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1j6r h GLU 105 CO 0.05 0.50 -1.23 1.88 -0.73 0.00 0.00 179.01 179.48 1j6r h TYR 106 N 0.78 0.42 -0.58 0.92 0.99 -1.27 -2.72 116.97 115.51 1j6r h TYR 106 Ca 0.22 -0.31 0.04 0.00 2.00 0.00 0.00 58.73 60.69 1j6r h TYR 106 Cb -0.06 -0.02 -0.05 0.00 1.00 0.00 0.00 36.73 37.60 1j6r h TYR 106 CO -0.04 1.24 0.32 0.74 -0.00 0.00 0.00 178.16 180.42 1j6r h PHE 107 N 0.06 0.59 -0.33 4.88 0.05 -1.36 0.15 116.94 120.97 1j6r h PHE 107 Ca -0.12 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.62 1j6r h PHE 107 Cb 1.95 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 39.70 1j6r h PHE 107 CO 0.05 0.30 -0.07 -0.09 -0.18 0.00 0.00 178.31 178.32 1j6r h ARG 108 N 0.61 0.55 0.00 1.51 2.43 -1.23 -1.63 114.38 116.62 1j6r h ARG 108 Ca 0.25 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1j6r h ARG 108 Cb 0.12 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1j6r h ARG 108 CO -0.15 0.63 0.00 1.63 -1.51 0.00 0.00 179.97 180.57 1j6r n LYS 109 N -4.23 0.16 -0.83 0.20 5.02 -1.03 -4.88 118.16 112.57 1j6r n LYS 109 Ca 0.01 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1j6r n LYS 109 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1j6r n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j6r n GLY 110 N 0.92 0.53 2.60 0.72 0.00 -0.61 -4.95 105.19 104.40 1j6r n GLY 110 Ca 0.08 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1j6r n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j6r n GLU 111 N -2.83 4.29 -0.14 1.61 1.02 0.48 -4.83 120.64 120.24 1j6r n GLU 111 Ca 0.00 -3.48 -0.12 0.00 -0.02 0.00 0.00 57.16 53.54 1j6r n GLU 111 Cb 0.00 -2.72 -0.01 0.00 -0.02 0.00 0.00 31.44 28.69 1j6r n GLU 111 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1j6r h ASP 112 N 4.97 0.95 -0.51 1.62 3.32 -1.87 -2.50 116.42 122.41 1j6r h ASP 112 Ca 0.60 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1j6r h ASP 112 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1j6r h ASP 112 CO 1.53 1.16 0.12 0.25 -1.72 0.00 0.00 179.24 180.57 1j6r h LEU 113 N 0.75 0.77 -0.47 1.55 6.46 -1.95 0.10 115.31 122.53 1j6r h LEU 113 Ca 0.09 -0.24 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 1j6r h LEU 113 Cb 0.81 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.49 1j6r h LEU 113 CO 0.07 0.81 0.22 0.25 -0.62 0.00 0.00 178.44 179.17 1j6r h LEU 114 N 0.70 0.31 -0.73 2.25 6.46 -1.88 -0.70 115.31 121.72 1j6r h LEU 114 Ca 0.16 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 57.85 1j6r h LEU 114 Cb 0.34 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.23 1j6r h LEU 114 CO 0.00 0.22 -0.11 0.00 -0.62 0.00 0.00 178.44 177.93 1j6r h ALA 115 N 1.26 0.92 -0.40 1.25 0.00 -1.14 -1.05 119.26 120.09 1j6r h ALA 115 Ca 0.21 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1j6r h ALA 115 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j6r h ALA 115 CO -0.16 0.63 -0.18 0.35 0.00 0.00 0.00 179.25 179.89 1j6r h PHE 116 N 0.77 0.95 -0.26 0.00 3.57 -0.18 -1.56 116.94 120.23 1j6r h PHE 116 Ca 0.13 -0.23 -0.14 0.00 3.53 0.00 0.00 57.97 61.25 1j6r h PHE 116 Cb 0.62 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1j6r h PHE 116 CO 0.04 0.99 -0.40 0.74 -2.23 0.00 0.00 178.31 177.44 1j6r h PHE 117 N 0.64 0.90 -0.82 0.41 0.05 -1.02 -1.44 116.94 115.66 1j6r h PHE 117 Ca 0.09 -0.31 0.09 0.00 3.82 0.00 0.00 57.97 61.67 1j6r h PHE 117 Cb 0.73 -0.18 -0.07 0.00 2.00 0.00 0.00 35.95 38.43 1j6r h PHE 117 CO 0.06 1.08 0.47 0.82 -0.18 0.00 0.00 178.31 180.56 1j6r h ILE 118 N 0.46 0.91 0.19 -0.55 2.04 -1.01 0.33 117.51 119.88 1j6r h ILE 118 Ca 0.02 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1j6r h ILE 118 Cb 1.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1j6r h ILE 118 CO 0.09 0.14 -0.09 -0.78 0.00 0.00 0.00 178.15 177.52 1j6r h ASP 119 N 0.79 -0.21 0.00 1.72 3.58 -1.09 -0.48 116.42 120.73 1j6r h ASP 119 Ca 0.39 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.83 1j6r h ASP 119 Cb 0.36 0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1j6r h ASP 119 CO -0.25 -0.13 -0.01 1.23 -2.88 0.00 0.00 179.24 177.20 1j6r h GLY 120 N -0.28 -0.02 1.76 -0.78 0.00 -0.83 -1.97 103.07 100.96 1j6r h GLY 120 Ca -0.03 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1j6r h GLY 120 CO 0.04 -0.01 -0.07 -2.22 0.00 0.00 0.00 176.54 174.28 1j6r h ILE 121 N -0.02 1.17 0.00 2.60 2.04 -0.88 -2.52 117.51 119.89 1j6r h ILE 121 Ca 0.00 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.05 1j6r h ILE 121 Cb 0.03 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1j6r h ILE 121 CO -0.01 0.22 -0.53 0.00 0.00 0.00 0.00 178.15 177.83 1j6r h ALA 122 N 1.65 1.11 -0.52 1.87 0.00 -0.54 0.11 119.26 122.95 1j6r h ALA 122 Ca 0.06 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1j6r h ALA 122 Cb 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1j6r h ALA 122 CO 0.01 0.67 0.18 0.77 0.00 0.00 0.00 179.25 180.89 1j6r h SER 123 N 0.00 0.69 0.77 0.00 0.02 -0.92 -1.56 113.55 112.55 1j6r h SER 123 Ca -0.01 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.63 1j6r h SER 123 Cb 0.95 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 1j6r h SER 123 CO 0.07 0.64 -1.34 -0.33 -1.14 0.00 0.00 176.83 174.72 1j6r h GLU 124 N 0.74 0.00 -0.69 3.45 4.39 -1.33 -3.07 114.58 118.07 1j6r h GLU 124 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1j6r h GLU 124 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1j6r h GLU 124 CO -0.01 0.55 0.34 1.98 -1.16 0.00 0.00 179.01 180.70 1j6r h MET 125 N 0.00 0.99 -0.19 2.33 4.05 -0.40 -1.20 114.93 120.51 1j6r h MET 125 Ca -0.16 -0.14 -0.16 0.00 -0.28 0.00 0.00 59.70 58.96 1j6r h MET 125 Cb 1.78 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 32.39 1j6r h MET 125 CO 0.08 0.78 -0.53 -0.24 0.23 0.00 0.00 176.91 177.22 1j6r h VAL 126 N 0.96 1.32 -0.69 -5.77 3.04 -1.41 -0.93 116.25 112.77 1j6r h VAL 126 Ca 0.24 -1.77 -0.01 0.00 -1.01 0.00 0.00 66.70 64.15 1j6r h VAL 126 Cb 0.11 1.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 1j6r h VAL 126 CO -0.03 0.55 0.40 -0.08 -1.01 0.00 0.00 177.57 177.40 1j6r h GLU 127 N 0.44 0.94 0.00 4.17 4.57 -1.42 -2.31 114.58 120.97 1j6r h GLU 127 Ca 0.01 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1j6r h GLU 127 Cb 1.08 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1j6r h GLU 127 CO 0.10 0.69 0.00 1.88 -1.18 0.00 0.00 179.01 180.50 1j6r h TYR 128 N 0.94 0.00 -0.14 0.92 -1.99 -0.97 -2.25 116.97 113.48 1j6r h TYR 128 Ca 0.24 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.94 1j6r h TYR 128 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1j6r h TYR 128 CO -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 178.12 1j6r h ALA 129 N 2.25 0.19 -0.29 3.88 0.00 -0.96 -2.54 119.26 121.80 1j6r h ALA 129 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1j6r h ALA 129 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1j6r h ALA 129 CO 0.00 -0.07 0.18 1.25 0.00 0.00 0.00 179.25 180.61 1j6r h LEU 130 N -0.03 0.33 0.00 0.00 5.85 -1.03 -2.24 115.31 118.20 1j6r h LEU 130 Ca 0.04 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1j6r h LEU 130 Cb 0.44 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1j6r h LEU 130 CO 0.01 0.25 -0.54 0.03 -0.34 0.00 0.00 178.44 177.85 1j6r h ARG 131 N 0.39 0.00 -0.69 1.25 3.08 -1.36 -1.84 114.38 115.21 1j6r h ARG 131 Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1j6r h ARG 131 Cb -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1j6r h ARG 131 CO -0.02 0.43 0.19 -0.22 -1.07 0.00 0.00 179.97 179.28 1j6r h LYS 132 N 0.00 1.09 0.22 0.04 3.64 -0.96 -1.31 116.57 119.28 1j6r h LYS 132 Ca -0.02 -0.25 -0.34 0.00 -1.27 0.00 0.00 60.65 58.77 1j6r h LYS 132 Cb 1.36 -0.15 0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1j6r h LYS 132 CO 0.06 0.95 -1.58 0.28 -2.27 0.00 0.00 179.45 176.89 1j6r h VAL 133 N 1.02 1.14 -0.31 2.00 2.07 -1.47 -2.81 116.25 117.88 1j6r h VAL 133 Ca 0.22 -2.61 0.07 0.00 0.82 0.00 0.00 66.70 65.20 1j6r h VAL 133 Cb 0.34 2.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.96 1j6r h VAL 133 CO -0.00 0.83 -0.20 -0.78 0.02 0.00 0.00 177.57 177.43 1j6r h ASP 134 N 0.10 -0.67 -0.13 0.57 1.82 -1.37 -1.01 116.42 115.74 1j6r h ASP 134 Ca -0.29 0.14 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1j6r h ASP 134 Cb 2.12 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 42.46 1j6r h ASP 134 CO 0.23 -0.24 0.09 0.00 -1.61 0.00 0.00 179.24 177.70 1j6r h ALA 135 N 1.00 1.93 -0.04 -0.78 0.00 -1.26 -2.54 119.26 117.57 1j6r h ALA 135 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1j6r h ALA 135 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j6r h ALA 135 CO -0.41 0.07 -0.04 0.93 0.00 0.00 0.00 179.25 179.80 1j6r h GLU 136 N 0.16 0.10 0.00 0.00 4.39 -1.10 -2.22 114.58 115.91 1j6r h GLU 136 Ca 0.05 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j6r h GLU 136 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1j6r h GLU 136 CO -0.01 0.55 0.00 1.28 -1.16 0.00 0.00 179.01 179.67 1j6r n LEU 137 N -4.78 0.50 -0.10 1.33 4.77 -0.45 -1.96 117.00 116.31 1j6r n LEU 137 Ca -0.08 0.68 -0.22 0.00 -0.03 0.00 0.00 56.01 56.37 1j6r n LEU 137 Cb 0.27 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 1j6r n LEU 137 CO 0.35 -0.72 -0.52 0.03 -1.33 0.00 0.00 177.39 175.19 1j6r h ARG 138 N 0.00 0.01 -0.15 3.23 3.08 -1.30 -2.99 114.38 116.25 1j6r h ARG 138 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1j6r h ARG 138 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1j6r h ARG 138 CO 0.00 1.01 0.10 1.98 -1.07 0.00 0.00 179.97 181.99 1j6r h MET 139 N -0.98 0.15 -0.01 0.04 4.05 -1.28 -2.76 114.93 114.14 1j6r h MET 139 Ca -0.35 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 58.98 1j6r h MET 139 Cb 1.32 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.09 1j6r h MET 139 CO -0.20 0.10 -0.30 0.87 0.23 0.00 0.00 176.91 177.61 1j6r h LYS 140 N 0.15 0.22 -2.77 0.39 1.57 -1.53 -3.37 116.57 111.24 1j6r h LYS 140 Ca 0.06 -0.22 -0.77 0.00 -1.87 0.00 0.00 60.65 57.85 1j6r h LYS 140 Cb 0.06 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 32.25 1j6r h LYS 140 CO -0.01 0.93 1.83 0.54 -0.57 0.00 0.00 179.45 182.18 1j6r n ARG 141 N -4.46 4.55 0.00 3.15 1.74 -1.04 -4.71 116.66 115.89 1j6r n ARG 141 Ca -0.10 -3.87 0.15 0.00 -0.77 0.00 0.00 57.85 53.26 1j6r n ARG 141 Cb 0.52 -2.65 0.74 0.00 -1.02 0.00 0.00 32.46 30.05 1j6r n ARG 141 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1j6r n SER 142 N 1.76 0.07 0.08 0.55 7.64 -1.24 -1.67 113.62 120.81 1j6r n SER 142 Ca 0.49 -0.22 0.01 0.00 1.01 0.00 0.00 58.87 60.17 1j6r n SER 142 Cb 0.29 -0.24 0.35 0.00 -1.01 0.00 0.00 64.21 63.59 1j6r n SER 142 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1j6r h ASN 143 N 0.08 0.31 -3.05 6.43 -1.07 -1.92 -3.46 115.58 112.90 1j6r h ASN 143 Ca 0.00 -0.07 -0.62 0.00 0.07 0.00 0.00 56.30 55.69 1j6r h ASN 143 Cb 0.29 -0.08 -0.09 0.00 -2.07 0.00 0.00 38.32 36.37 1j6r h ASN 143 CO 0.00 0.46 -0.60 -0.76 0.07 0.00 0.00 177.43 176.59 1j6r s LEU 144 N -8.81 3.72 -0.48 6.14 1.43 -0.67 -5.05 118.68 114.96 1j6r s LEU 144 Ca -0.06 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 52.69 1j6r s LEU 144 Cb 0.15 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1j6r s LEU 144 CO 0.75 0.14 0.96 -0.70 0.23 0.00 0.00 176.35 177.72 1j6r s GLU 145 N -2.62 3.52 -0.15 1.70 2.12 -0.75 -4.90 118.70 117.62 1j6r s GLU 145 Ca 0.29 0.14 -0.29 0.00 0.36 0.00 0.00 54.97 55.47 1j6r s GLU 145 Cb -0.11 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1j6r s GLU 145 CO 0.22 -1.30 1.63 0.20 -0.54 0.00 0.00 175.26 175.46 1j6r s GLY 146 N 2.40 1.35 0.00 -1.50 0.00 -1.26 -1.43 107.32 106.87 1j6r s GLY 146 Ca 0.37 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1j6r s GLY 146 CO 0.26 3.01 0.00 -1.14 0.00 0.00 0.00 173.10 175.23 1j6r n SER 147 N 7.91 0.00 -4.11 1.64 3.41 0.11 -5.00 113.62 117.58 1j6r n SER 147 Ca 0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1j6r n SER 147 Cb 0.44 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1j6r n SER 147 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1j6r s PHE 148 N 0.00 0.66 0.34 7.33 5.36 -1.26 -4.83 117.98 125.57 1j6r s PHE 148 Ca 0.00 -0.93 -0.29 0.00 -0.96 0.00 0.00 56.93 54.75 1j6r s PHE 148 Cb 0.00 -0.42 -0.11 0.00 -0.34 0.00 0.00 43.02 42.15 1j6r s PHE 148 CO 0.00 -0.26 1.46 1.03 -1.46 0.00 0.00 175.22 175.99 1j6r s ARG 149 N -3.54 4.18 -0.07 10.12 0.52 -1.24 -4.66 118.95 124.27 1j6r s ARG 149 Ca 0.06 2.46 -0.11 0.00 -0.52 0.00 0.00 55.73 57.62 1j6r s ARG 149 Cb 0.04 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.52 1j6r s ARG 149 CO -0.07 -0.46 0.28 0.96 0.02 0.00 0.00 175.30 176.03 1j6r s ILE 150 N -0.83 0.03 0.06 1.52 -4.36 -0.96 -4.87 121.20 111.78 1j6r s ILE 150 Ca 0.54 -0.22 0.07 0.00 -0.26 0.00 0.00 60.65 60.78 1j6r s ILE 150 Cb -0.45 -0.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.77 1j6r s ILE 150 CO 0.56 -0.12 -0.19 -0.44 0.24 0.00 0.00 174.94 174.99 1j6r s SER 151 N -0.47 2.25 0.98 4.36 0.01 -1.26 -1.50 113.70 118.07 1j6r s SER 151 Ca -0.06 -0.57 -0.15 0.00 1.31 0.00 0.00 55.95 56.48 1j6r s SER 151 Cb -0.04 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 1j6r s SER 151 CO 0.02 0.08 -0.16 -2.65 0.41 0.00 0.00 173.24 170.93 1j6r n PRO 152 N 1.55 -0.23 0.00 12.44 -0.02 -1.26 -1.27 135.00 146.21 1j6r n PRO 152 Ca -0.18 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 1j6r n PRO 152 Cb 0.54 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1j6r n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j6r n GLY 153 N 2.38 1.23 3.80 -1.23 0.00 -0.00 -4.80 105.19 106.56 1j6r n GLY 153 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1j6r n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j6r s TYR 154 N -0.36 2.98 0.00 1.61 1.51 -0.40 -4.77 117.35 117.92 1j6r s TYR 154 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 1j6r s TYR 154 Cb 0.00 -3.05 0.00 0.00 -0.11 0.00 0.00 41.96 38.80 1j6r s TYR 154 CO 0.00 -0.99 0.00 0.41 -1.11 0.00 0.00 175.55 173.86 1j6r n GLY 155 N -0.54 0.15 0.83 0.71 0.00 -1.26 -0.38 105.19 104.70 1j6r n GLY 155 Ca 0.09 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1j6r n GLY 155 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j6r n ASP 156 N 0.37 2.73 -4.69 1.61 9.92 -1.26 -4.90 116.55 120.32 1j6r n ASP 156 Ca 0.00 -1.86 -0.42 0.00 -0.53 0.00 0.00 54.79 51.97 1j6r n ASP 156 Cb 0.00 0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.53 1j6r n ASP 156 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1j6r s LEU 157 N -1.95 4.28 0.09 0.64 2.96 0.48 -4.88 118.68 120.30 1j6r s LEU 157 Ca 0.25 1.61 -0.31 0.00 -0.22 0.00 0.00 54.13 55.46 1j6r s LEU 157 Cb 0.18 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1j6r s LEU 157 CO 0.32 -0.43 1.79 -2.84 -1.32 0.00 0.00 176.35 173.86 1j6r s PRO 158 N 1.84 4.16 0.20 0.98 0.02 -1.26 -0.82 135.00 140.11 1j6r s PRO 158 Ca 0.50 2.51 0.04 0.00 0.02 0.00 0.00 61.00 64.08 1j6r s PRO 158 Cb -0.20 -3.66 0.23 0.00 0.02 0.00 0.00 34.50 30.89 1j6r s PRO 158 CO 0.21 -0.82 0.89 -0.11 -0.33 0.00 0.00 177.00 176.83 1j6r n LEU 159 N 5.87 0.11 0.21 -5.54 7.94 -1.26 -0.51 117.00 123.82 1j6r n LEU 159 Ca 0.17 0.31 0.08 0.00 -1.11 0.00 0.00 56.01 55.46 1j6r n LEU 159 Cb 0.39 -0.22 0.46 0.00 0.53 0.00 0.00 43.42 44.58 1j6r n LEU 159 CO 0.65 -0.35 0.78 -1.28 -1.11 0.00 0.00 177.39 176.08 1j6r h SER 160 N 0.00 0.00 -0.04 1.96 0.87 -1.87 -3.00 113.55 111.47 1j6r h SER 160 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1j6r h SER 160 Cb 0.91 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1j6r h SER 160 CO 0.00 0.28 0.05 -0.07 -0.53 0.00 0.00 176.83 176.55 1j6r h LEU 161 N 0.00 0.00 -1.22 2.23 3.38 -1.17 -1.36 115.31 117.17 1j6r h LEU 161 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1j6r h LEU 161 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1j6r h LEU 161 CO 0.04 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.35 1j6r h ASN 162 N 0.00 0.50 0.11 -0.43 2.35 -1.73 1.41 115.58 117.79 1j6r h ASN 162 Ca 0.02 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 1j6r h ASN 162 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1j6r h ASN 162 CO -0.00 0.57 -0.29 0.50 -1.65 0.00 0.00 177.43 176.56 1j6r h LYS 163 N 0.51 0.28 0.00 0.81 3.64 -1.44 -1.24 116.57 119.12 1j6r h LYS 163 Ca 0.11 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1j6r h LYS 163 Cb 0.33 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1j6r h LYS 163 CO 0.01 0.55 0.00 1.63 -2.27 0.00 0.00 179.45 179.37 1j6r n LYS 164 N -4.13 0.00 0.21 1.90 4.76 -0.16 -2.57 118.16 118.17 1j6r n LYS 164 Ca -0.01 0.44 0.05 0.00 -2.87 0.00 0.00 58.31 55.92 1j6r n LYS 164 Cb 0.39 -1.17 0.26 0.00 -1.84 0.00 0.00 35.03 32.67 1j6r n LYS 164 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1j6r h ILE 165 N 0.00 0.00 0.00 -0.18 2.04 0.18 0.57 117.51 120.12 1j6r h ILE 165 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1j6r h ILE 165 Cb 0.00 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1j6r h ILE 165 CO 0.00 0.00 -1.87 0.00 0.00 0.00 0.00 178.15 176.28 1j6r n ALA 166 N -1.50 2.40 0.01 1.87 0.00 -0.47 -3.93 120.51 118.89 1j6r n ALA 166 Ca -0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 1j6r n ALA 166 Cb 0.56 -0.71 0.07 0.00 0.00 0.00 0.00 19.45 19.37 1j6r n ALA 166 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1j6r h GLU 167 N 0.00 0.54 0.11 0.00 4.57 0.42 -0.69 114.58 119.53 1j6r h GLU 167 Ca -0.13 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1j6r h GLU 167 Cb 1.32 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.90 1j6r h GLU 167 CO 0.01 0.93 -0.45 0.82 -1.18 0.00 0.00 179.01 179.14 1j6r h ILE 168 N 0.42 0.11 -0.38 2.32 2.04 -1.65 -2.98 117.51 117.39 1j6r h ILE 168 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1j6r h ILE 168 Cb 1.06 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1j6r h ILE 168 CO 0.10 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.74 1j6r n PHE 169 N -5.47 0.50 0.28 1.37 3.01 -1.20 -4.40 117.46 111.54 1j6r n PHE 169 Ca -0.07 -0.25 0.15 0.00 1.01 0.00 0.00 57.45 58.29 1j6r n PHE 169 Cb 0.39 0.00 0.89 0.00 -0.01 0.00 0.00 39.48 40.75 1j6r n PHE 169 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1j6r h LYS 170 N 2.52 0.00 0.00 -1.08 3.64 -0.95 -1.25 116.57 119.45 1j6r h LYS 170 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j6r h LYS 170 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1j6r h LYS 170 CO 0.00 0.00 -1.12 0.39 -2.27 0.00 0.00 179.45 176.45 1j6r n GLU 171 N -3.88 0.60 0.06 1.90 -0.58 -1.26 -4.19 120.64 113.29 1j6r n GLU 171 Ca -0.02 0.08 0.12 0.00 -0.42 0.00 0.00 57.16 56.92 1j6r n GLU 171 Cb 0.12 -1.79 0.04 0.00 -0.57 0.00 0.00 31.44 29.25 1j6r n GLU 171 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1j6r n GLU 172 N -2.61 0.43 -3.58 3.49 -0.58 -0.49 -4.95 120.64 112.36 1j6r n GLU 172 Ca -0.00 0.05 -0.15 0.00 -0.42 0.00 0.00 57.16 56.64 1j6r n GLU 172 Cb 0.55 -1.70 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 1j6r n GLU 172 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1j6r s VAL 173 N -3.27 0.00 -0.93 2.62 0.11 -1.11 -5.09 120.40 112.73 1j6r s VAL 173 Ca 0.02 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.82 1j6r s VAL 173 Cb 0.12 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.86 1j6r s VAL 173 CO 0.78 0.00 2.15 -1.81 -3.33 0.00 0.00 175.10 172.89 1j6r s ASP 174 N -0.39 4.36 0.04 3.54 -0.00 -1.26 -4.60 116.67 118.36 1j6r s ASP 174 Ca -0.05 -0.58 -0.02 0.00 -0.00 0.00 0.00 52.55 51.90 1j6r s ASP 174 Cb -0.03 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 1j6r s ASP 174 CO 0.04 -3.56 0.00 -0.69 -0.00 0.00 0.00 175.17 170.97 1j6r s VAL 175 N 13.16 0.16 0.00 -1.27 1.01 -1.26 -4.38 120.40 127.82 1j6r s VAL 175 Ca 0.80 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1j6r s VAL 175 Cb -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1j6r s VAL 175 CO 0.07 -0.71 0.00 -3.20 0.00 0.00 0.00 175.10 171.26 1j6r n ASN 176 N 0.82 0.00 -1.70 3.32 2.85 -0.56 -4.86 115.26 115.13 1j6r n ASN 176 Ca -0.19 -0.72 -0.05 0.00 -0.11 0.00 0.00 54.58 53.51 1j6r n ASN 176 Cb 0.58 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.59 1j6r n ASN 176 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1j6r n VAL 177 N 0.00 0.00 -3.68 3.44 0.31 -1.26 -2.77 118.33 114.36 1j6r n VAL 177 Ca 0.00 -0.67 -0.16 0.00 -0.01 0.00 0.00 64.34 63.49 1j6r n VAL 177 Cb 0.00 0.38 -0.16 0.00 -0.91 0.00 0.00 33.84 33.16 1j6r n VAL 177 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1j6r s ILE 178 N -2.52 -0.21 0.00 2.52 -4.36 -1.16 -4.87 121.20 110.59 1j6r s ILE 178 Ca 0.11 0.33 0.00 0.00 -0.26 0.00 0.00 60.65 60.83 1j6r s ILE 178 Cb 0.00 -0.27 0.00 0.00 1.25 0.00 0.00 42.46 43.44 1j6r s ILE 178 CO 0.08 0.14 0.00 -0.62 0.24 0.00 0.00 174.94 174.78 1j6r n GLU 179 N 5.11 0.00 -0.03 0.37 1.02 -1.26 -1.68 120.64 124.17 1j6r n GLU 179 Ca -0.09 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.00 1j6r n GLU 179 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.90 1j6r n GLU 179 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j6r n ASP 180 N -1.09 1.31 0.05 1.62 -0.08 -1.26 -4.78 116.55 112.32 1j6r n ASP 180 Ca 0.00 0.04 0.05 0.00 -1.51 0.00 0.00 54.79 53.37 1j6r n ASP 180 Cb 0.00 -0.15 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 1j6r n ASP 180 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1j6r n SER 181 N -3.10 0.75 -1.83 1.67 3.41 -1.22 -4.99 113.62 108.31 1j6r n SER 181 Ca -0.11 0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1j6r n SER 181 Cb 0.59 0.46 0.03 0.00 -0.26 0.00 0.00 64.21 65.03 1j6r n SER 181 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1j6r n TYR 182 N -2.75 -1.03 -3.28 7.33 0.53 -0.68 -4.80 117.16 112.47 1j6r n TYR 182 Ca -0.06 0.39 -0.38 0.00 -1.02 0.00 0.00 57.90 56.82 1j6r n TYR 182 Cb 0.72 -2.87 -0.06 0.00 -1.03 0.00 0.00 39.34 36.10 1j6r n TYR 182 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1j6r s VAL 183 N -3.13 4.75 0.25 -0.72 1.01 -1.25 -4.73 120.40 116.57 1j6r s VAL 183 Ca 0.14 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1j6r s VAL 183 Cb -0.06 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 1j6r s VAL 183 CO 0.29 0.54 0.93 -0.76 0.00 0.00 0.00 175.10 176.10 1j6r s LEU 184 N -1.15 4.60 -0.03 3.92 1.43 -1.26 -3.00 118.68 123.19 1j6r s LEU 184 Ca 0.29 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 1j6r s LEU 184 Cb -0.19 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 1j6r s LEU 184 CO 0.19 0.13 -0.15 0.68 0.23 0.00 0.00 176.35 177.43 1j6r s VAL 185 N -1.24 1.21 0.85 -1.59 -7.23 -1.12 -3.79 120.40 107.49 1j6r s VAL 185 Ca 0.42 -0.61 -0.12 0.00 -1.81 0.00 0.00 61.98 59.86 1j6r s VAL 185 Cb -0.25 -1.04 0.11 0.00 0.56 0.00 0.00 36.38 35.76 1j6r s VAL 185 CO 0.31 0.35 1.18 -2.84 -0.31 0.00 0.00 175.10 173.79 1j6r s PRO 186 N -0.03 1.43 0.26 4.82 0.02 -1.26 -1.49 135.00 138.75 1j6r s PRO 186 Ca -0.01 1.65 0.11 0.00 0.02 0.00 0.00 61.00 62.76 1j6r s PRO 186 Cb -0.09 -1.76 0.32 0.00 0.02 0.00 0.00 34.50 32.98 1j6r s PRO 186 CO 0.01 -2.35 1.59 -0.09 -0.33 0.00 0.00 177.00 175.83 1j6r h ARG 187 N -1.28 0.00 -3.19 5.54 2.43 -1.87 -3.24 114.38 112.77 1j6r h ARG 187 Ca -0.45 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 57.97 1j6r h ARG 187 Cb 1.28 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.70 1j6r h ARG 187 CO 0.45 0.64 2.26 1.63 -1.51 0.00 0.00 179.97 183.43 1j6r n LYS 188 N -3.75 3.94 -3.96 0.20 4.76 -1.26 -4.85 118.16 113.25 1j6r n LYS 188 Ca -0.01 -3.43 -0.15 0.00 -2.87 0.00 0.00 58.31 51.85 1j6r n LYS 188 Cb 0.64 -2.83 -0.15 0.00 -1.84 0.00 0.00 35.03 30.85 1j6r n LYS 188 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1j6r s THR 189 N -0.01 0.16 0.20 -0.18 2.01 -1.22 -1.93 115.64 114.66 1j6r s THR 189 Ca 0.46 -0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.45 1j6r s THR 189 Cb 0.13 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 1j6r s THR 189 CO -0.03 0.09 0.09 -0.63 -0.69 0.00 0.00 174.62 173.45 1j6r s ILE 190 N 0.45 0.21 0.04 1.82 1.01 0.21 -4.90 121.20 120.04 1j6r s ILE 190 Ca -0.04 -1.98 -0.03 0.00 0.00 0.00 0.00 60.65 58.60 1j6r s ILE 190 Cb -0.07 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1j6r s ILE 190 CO -0.01 -0.14 0.03 -0.89 0.00 0.00 0.00 174.94 173.92 1j6r s THR 191 N -4.00 0.16 0.37 2.92 2.01 -1.26 -1.56 115.64 114.27 1j6r s THR 191 Ca 0.34 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1j6r s THR 191 Cb 0.07 -0.96 0.06 0.00 0.01 0.00 0.00 72.50 71.68 1j6r s THR 191 CO 0.09 -0.71 0.83 0.00 -0.69 0.00 0.00 174.62 174.15 1j6r s ALA 192 N -2.80 -0.82 -0.09 7.40 0.00 -1.19 -4.47 121.76 119.80 1j6r s ALA 192 Ca -0.03 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1j6r s ALA 192 Cb -0.00 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.83 1j6r s ALA 192 CO -0.06 -0.99 0.22 -0.06 0.00 0.00 0.00 175.76 174.87 1j6r s PHE 193 N -2.14 -0.26 0.03 0.00 2.99 -0.57 -2.08 117.98 115.96 1j6r s PHE 193 Ca 0.17 0.64 0.04 0.00 0.00 0.00 0.00 56.93 57.78 1j6r s PHE 193 Cb -0.05 0.05 -0.02 0.00 0.00 0.00 0.00 43.02 43.00 1j6r s PHE 193 CO 0.11 -0.17 -0.12 0.08 -0.00 0.00 0.00 175.22 175.12 1j6r s VAL 194 N 0.70 0.95 0.17 -0.44 1.01 0.52 -2.26 120.40 121.05 1j6r s VAL 194 Ca -0.05 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1j6r s VAL 194 Cb -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1j6r s VAL 194 CO -0.04 -0.00 -0.13 -0.83 0.00 0.00 0.00 175.10 174.10 1j6r s GLY 195 N -0.99 1.72 -0.10 4.51 0.00 -1.26 0.12 107.32 111.32 1j6r s GLY 195 Ca 0.01 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.25 1j6r s GLY 195 CO 0.01 -1.50 -0.10 -0.98 0.00 0.00 0.00 173.10 170.53 1j6r s TRP 196 N -1.62 1.52 -2.92 1.90 0.52 -0.06 0.08 118.94 118.37 1j6r s TRP 196 Ca 0.23 -0.70 0.23 0.00 0.02 0.00 0.00 56.10 55.89 1j6r s TRP 196 Cb -0.09 -1.19 0.18 0.00 -1.15 0.00 0.00 33.47 31.22 1j6r s TRP 196 CO 0.14 -0.43 1.24 0.54 0.02 0.00 0.00 176.95 178.45