#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j6w n LEU 4 N 0.00 2.96 -0.31 -1.96 4.32 -1.26 -4.90 117.00 115.86 1j6w n LEU 4 Ca 0.00 1.18 0.11 0.00 -0.02 0.00 0.00 56.01 57.28 1j6w n LEU 4 Cb 0.00 -1.42 0.33 0.00 -1.62 0.00 0.00 43.42 40.72 1j6w n LEU 4 CO 0.00 -0.73 1.22 0.44 -1.22 0.00 0.00 177.39 177.10 1j6w h ASP 5 N 2.81 0.75 0.45 -1.43 3.45 -2.01 -1.14 116.42 119.30 1j6w h ASP 5 Ca -0.44 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1j6w h ASP 5 Cb 1.30 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1j6w h ASP 5 CO 0.65 0.37 0.00 0.77 -1.57 0.00 0.00 179.24 179.46 1j6w h SER 6 N 0.79 0.00 0.75 6.45 4.64 -1.96 -1.65 113.55 122.57 1j6w h SER 6 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1j6w h SER 6 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1j6w h SER 6 CO -0.25 0.00 -0.24 0.49 -0.87 0.00 0.00 176.83 175.96 1j6w n PHE 7 N -2.41 0.00 1.29 4.77 0.99 -0.43 -3.66 117.46 118.02 1j6w n PHE 7 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.58 1j6w n PHE 7 Cb 0.16 -0.37 0.35 0.00 -1.00 0.00 0.00 39.48 38.61 1j6w n PHE 7 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1j6w n LYS 8 N -1.49 1.89 -4.74 -1.08 5.02 -0.62 -4.89 118.16 112.25 1j6w n LYS 8 Ca 0.06 -1.33 -0.33 0.00 -2.02 0.00 0.00 58.31 54.70 1j6w n LYS 8 Cb 0.34 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 1j6w n LYS 8 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j6w s VAL 9 N -2.02 3.33 -0.56 -0.18 0.11 -1.24 -4.10 120.40 115.74 1j6w s VAL 9 Ca 0.34 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 1j6w s VAL 9 Cb 0.21 -2.36 0.01 0.00 -1.53 0.00 0.00 36.38 32.71 1j6w s VAL 9 CO 0.33 0.57 1.46 -0.62 -3.33 0.00 0.00 175.10 173.51 1j6w s ASP 10 N -0.41 6.05 0.56 3.54 3.68 0.11 -4.90 116.67 125.31 1j6w s ASP 10 Ca 0.05 0.30 0.33 0.00 2.13 0.00 0.00 52.55 55.36 1j6w s ASP 10 Cb -0.12 -2.54 1.65 0.00 -1.45 0.00 0.00 42.92 40.45 1j6w s ASP 10 CO 0.02 -1.77 2.12 0.45 0.13 0.00 0.00 175.17 176.12 1j6w h HIS 11 N 11.39 0.00 0.00 -5.34 3.86 -1.93 -2.45 115.15 120.67 1j6w h HIS 11 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1j6w h HIS 11 Cb 1.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.57 1j6w h HIS 11 CO 1.04 0.06 0.00 0.25 0.86 0.00 0.00 177.93 180.14 1j6w n THR 12 N -3.37 0.57 -3.44 2.45 -2.24 -1.26 -4.64 114.28 102.35 1j6w n THR 12 Ca -0.01 0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 1j6w n THR 12 Cb 0.22 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 1j6w n THR 12 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j6w s LYS 13 N -3.09 3.86 0.07 -0.78 1.02 -0.93 -5.10 119.74 114.80 1j6w s LYS 13 Ca 0.09 -3.19 -0.08 0.00 0.02 0.00 0.00 55.97 52.81 1j6w s LYS 13 Cb 0.13 -4.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.09 1j6w s LYS 13 CO 0.45 -1.25 0.18 -0.80 -0.92 0.00 0.00 175.35 173.00 1j6w s ASN 15 N 0.90 0.12 -0.23 2.83 0.01 -1.26 -4.97 114.94 112.34 1j6w s ASN 15 Ca 0.29 -0.60 -0.26 0.00 -0.71 0.00 0.00 52.86 51.57 1j6w s ASN 15 Cb -0.09 0.32 0.08 0.00 0.41 0.00 0.00 41.25 41.97 1j6w s ASN 15 CO -0.09 -0.67 0.80 0.00 -1.51 0.00 0.00 177.10 175.62 1j6w s ALA 16 N -3.52 -1.83 0.37 0.60 0.00 -1.26 -4.20 121.76 111.92 1j6w s ALA 16 Ca 0.02 1.85 -0.27 0.00 0.00 0.00 0.00 51.96 53.57 1j6w s ALA 16 Cb 0.03 -1.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.05 1j6w s ALA 16 CO -0.09 -0.32 1.32 -2.14 0.00 0.00 0.00 175.76 174.53 1j6w s PRO 17 N 0.00 4.13 -0.01 0.00 0.02 -1.25 -4.77 135.00 133.13 1j6w s PRO 17 Ca -0.01 2.22 -0.28 0.00 0.02 0.00 0.00 61.00 62.94 1j6w s PRO 17 Cb -0.04 -2.90 0.09 0.00 0.02 0.00 0.00 34.50 31.67 1j6w s PRO 17 CO 0.01 -0.38 0.77 0.00 -0.33 0.00 0.00 177.00 177.08 1j6w s ALA 18 N -1.20 -1.77 -0.13 -1.55 0.00 0.22 -0.75 121.76 116.57 1j6w s ALA 18 Ca 0.53 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 1j6w s ALA 18 Cb -0.39 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1j6w s ALA 18 CO 0.52 -0.54 0.05 0.08 0.00 0.00 0.00 175.76 175.86 1j6w s VAL 19 N -2.33 4.68 -0.02 0.00 1.01 -0.65 -0.96 120.40 122.13 1j6w s VAL 19 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1j6w s VAL 19 Cb -0.01 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1j6w s VAL 19 CO -0.02 0.56 -0.01 -0.60 0.00 0.00 0.00 175.10 175.02 1j6w s ARG 20 N -0.45 0.28 -0.50 2.72 3.52 -0.37 -1.64 118.95 122.51 1j6w s ARG 20 Ca 0.09 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 1j6w s ARG 20 Cb -0.12 -0.41 0.03 0.00 -1.56 0.00 0.00 34.95 32.89 1j6w s ARG 20 CO 0.02 -0.08 1.20 0.42 -0.81 0.00 0.00 175.30 176.05 1j6w s ILE 21 N 0.71 4.10 0.06 4.11 1.01 -1.26 -0.09 121.20 129.84 1j6w s ILE 21 Ca -0.07 1.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.48 1j6w s ILE 21 Cb -0.10 -4.59 -0.12 0.00 0.01 0.00 0.00 42.46 37.65 1j6w s ILE 21 CO -0.01 -1.08 1.36 0.00 0.00 0.00 0.00 174.94 175.20 1j6w h ALA 22 N 9.56 0.29 -2.09 9.38 0.00 -0.93 -3.44 119.26 132.03 1j6w h ALA 22 Ca -0.24 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1j6w h ALA 22 Cb 1.07 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.64 1j6w h ALA 22 CO 1.14 0.25 0.57 -1.59 0.00 0.00 0.00 179.25 179.62 1j6w s LYS 23 N -4.26 0.71 0.40 0.00 -2.85 -1.11 -5.00 119.74 107.61 1j6w s LYS 23 Ca -0.13 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.61 1j6w s LYS 23 Cb 0.06 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1j6w s LYS 23 CO 0.79 -0.31 0.07 0.95 0.10 0.00 0.00 175.35 176.95 1j6w s THR 24 N -2.95 1.03 -0.13 3.79 -4.23 -1.26 -0.80 115.64 111.08 1j6w s THR 24 Ca 0.06 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1j6w s THR 24 Cb -0.01 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.35 1j6w s THR 24 CO -0.08 0.00 0.33 -0.76 -0.54 0.00 0.00 174.62 173.57 1j6w s LEU 26 N -3.62 0.31 0.81 4.79 1.43 -1.26 -4.98 118.68 116.16 1j6w s LEU 26 Ca 0.26 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1j6w s LEU 26 Cb 0.05 1.06 0.08 0.00 0.03 0.00 0.00 46.19 47.41 1j6w s LEU 26 CO 0.13 -0.16 1.11 0.42 0.23 0.00 0.00 176.35 178.08 1j6w s THR 27 N 1.04 2.78 0.25 5.49 -4.23 0.47 -4.88 115.64 116.57 1j6w s THR 27 Ca -0.07 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1j6w s THR 27 Cb -0.08 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 70.96 1j6w s THR 27 CO -0.08 -0.33 1.67 -0.65 -0.54 0.00 0.00 174.62 174.68 1j6w h PRO 28 N -1.13 0.20 0.00 3.99 0.11 -2.07 -0.04 132.00 133.06 1j6w h PRO 28 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1j6w h PRO 28 Cb 1.29 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j6w h PRO 28 CO 0.61 0.13 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 1j6w n LYS 29 N -5.22 0.15 0.00 1.05 5.02 -1.26 -4.89 118.16 113.00 1j6w n LYS 29 Ca 0.14 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1j6w n LYS 29 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1j6w n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j6w n GLY 30 N 0.78 1.19 3.86 0.72 0.00 -0.03 -5.11 105.19 106.59 1j6w n GLY 30 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1j6w n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j6w s ASP 31 N -2.00 6.53 -0.17 1.61 -0.00 -1.26 -4.76 116.67 116.62 1j6w s ASP 31 Ca 0.00 1.33 -0.09 0.00 -0.00 0.00 0.00 52.55 53.79 1j6w s ASP 31 Cb 0.00 -2.41 -0.05 0.00 -0.00 0.00 0.00 42.92 40.47 1j6w s ASP 31 CO 0.00 -0.52 0.13 0.20 -0.00 0.00 0.00 175.17 174.98 1j6w s ASN 32 N -3.24 6.26 -0.07 0.27 0.01 -1.26 -0.39 114.94 116.52 1j6w s ASN 32 Ca 0.54 0.32 0.05 0.00 -0.71 0.00 0.00 52.86 53.06 1j6w s ASN 32 Cb -0.10 -2.08 -0.00 0.00 0.41 0.00 0.00 41.25 39.48 1j6w s ASN 32 CO 0.34 0.27 -0.22 -0.63 -1.51 0.00 0.00 177.10 175.35 1j6w s ILE 33 N -0.19 1.82 -0.02 0.60 1.01 -1.26 -0.88 121.20 122.29 1j6w s ILE 33 Ca 0.11 -0.91 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1j6w s ILE 33 Cb -0.11 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1j6w s ILE 33 CO 0.00 0.51 -0.20 -0.89 0.00 0.00 0.00 174.94 174.37 1j6w s THR 34 N 0.16 1.55 -0.15 2.92 2.01 -0.46 -4.32 115.64 117.35 1j6w s THR 34 Ca -0.11 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1j6w s THR 34 Cb -0.15 -1.29 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1j6w s THR 34 CO 0.05 0.44 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 1j6w s VAL 35 N -0.45 2.61 -0.08 3.82 1.01 0.02 -1.09 120.40 126.24 1j6w s VAL 35 Ca 0.07 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1j6w s VAL 35 Cb -0.08 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1j6w s VAL 35 CO -0.01 0.52 -0.04 -0.36 0.00 0.00 0.00 175.10 175.21 1j6w s PHE 36 N 0.79 3.02 -0.44 5.22 0.08 -1.26 -0.22 117.98 125.16 1j6w s PHE 36 Ca -0.06 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.88 1j6w s PHE 36 Cb -0.15 -1.76 0.05 0.00 -0.57 0.00 0.00 43.02 40.58 1j6w s PHE 36 CO 0.00 0.34 0.36 0.34 -0.10 0.00 0.00 175.22 176.17 1j6w s ASP 37 N -0.72 6.14 -0.85 1.36 -1.08 0.87 -4.22 116.67 118.16 1j6w s ASP 37 Ca 0.11 -1.10 -0.14 0.00 -0.52 0.00 0.00 52.55 50.90 1j6w s ASP 37 Cb -0.11 -2.18 0.22 0.00 -1.46 0.00 0.00 42.92 39.39 1j6w s ASP 37 CO 0.02 -0.57 0.80 -0.76 0.52 0.00 0.00 175.17 175.18 1j6w s LEU 38 N 1.71 6.66 -0.53 -1.34 1.43 0.86 -1.23 118.68 126.24 1j6w s LEU 38 Ca 0.05 -2.70 -0.27 0.00 -1.03 0.00 0.00 54.13 50.18 1j6w s LEU 38 Cb -0.22 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1j6w s LEU 38 CO 0.09 -0.59 1.10 -0.60 0.23 0.00 0.00 176.35 176.58 1j6w s ARG 39 N 0.23 3.54 -0.04 1.70 6.06 -0.14 -1.17 118.95 129.13 1j6w s ARG 39 Ca 0.19 0.23 -0.18 0.00 -2.50 0.00 0.00 55.73 53.48 1j6w s ARG 39 Cb -0.10 -3.98 -0.31 0.00 0.06 0.00 0.00 34.95 30.62 1j6w s ARG 39 CO -0.09 -1.51 0.81 0.74 -2.50 0.00 0.00 175.30 172.75 1j6w h PHE 40 N 9.36 0.65 -2.91 5.12 0.05 -1.01 0.64 116.94 128.85 1j6w h PHE 40 Ca -0.25 -0.48 -0.61 0.00 3.82 0.00 0.00 57.97 60.46 1j6w h PHE 40 Cb 1.06 -0.03 -0.12 0.00 2.00 0.00 0.00 35.95 38.87 1j6w h PHE 40 CO 0.98 1.48 -0.67 0.00 -0.18 0.00 0.00 178.31 179.92 1j6w s ILE 42 N -1.71 4.02 0.15 0.00 -1.09 -1.26 -4.82 121.20 116.49 1j6w s ILE 42 Ca 0.27 1.22 -0.34 0.00 -2.23 0.00 0.00 60.65 59.56 1j6w s ILE 42 Cb -0.09 -3.85 -0.16 0.00 -1.58 0.00 0.00 42.46 36.78 1j6w s ILE 42 CO 0.18 -0.18 1.28 -2.65 -1.23 0.00 0.00 174.94 172.34 1j6w n PRO 43 N 6.96 1.33 -1.27 2.79 -0.02 -1.26 -1.70 135.00 141.83 1j6w n PRO 43 Ca 0.15 0.47 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1j6w n PRO 43 Cb 0.45 -2.06 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1j6w n PRO 43 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j6w n ASN 44 N 2.32 -5.37 0.00 2.55 3.02 -1.26 -4.69 115.26 111.83 1j6w n ASN 44 Ca 0.16 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1j6w n ASN 44 Cb 0.24 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 1j6w n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j6w n LYS 45 N -1.05 2.49 -4.05 3.52 4.76 -0.69 -5.08 118.16 118.07 1j6w n LYS 45 Ca -0.09 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.26 1j6w n LYS 45 Cb 0.51 -0.81 -0.11 0.00 -1.84 0.00 0.00 35.03 32.78 1j6w n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1j6w s GLU 46 N -1.60 0.50 -0.10 1.97 2.02 -0.80 -4.98 118.70 115.70 1j6w s GLU 46 Ca 0.00 -0.92 -0.22 0.00 0.02 0.00 0.00 54.97 53.85 1j6w s GLU 46 Cb 0.00 0.06 0.05 0.00 0.10 0.00 0.00 34.13 34.34 1j6w s GLU 46 CO 0.00 -0.05 0.52 -1.50 0.02 0.00 0.00 175.26 174.25 1j6w s ILE 47 N -2.54 0.02 0.26 -1.63 2.07 -1.26 -4.56 121.20 113.55 1j6w s ILE 47 Ca -0.04 -0.14 -0.16 0.00 -1.41 0.00 0.00 60.65 58.90 1j6w s ILE 47 Cb -0.02 -0.80 -0.08 0.00 0.13 0.00 0.00 42.46 41.69 1j6w s ILE 47 CO -0.04 -0.07 0.69 -0.76 -1.91 0.00 0.00 174.94 172.84 1j6w s LEU 48 N -0.66 4.21 0.54 8.50 1.02 -0.00 -5.04 118.68 127.24 1j6w s LEU 48 Ca -0.08 1.28 -0.18 0.00 0.02 0.00 0.00 54.13 55.17 1j6w s LEU 48 Cb -0.03 -3.77 -0.06 0.00 0.02 0.00 0.00 46.19 42.35 1j6w s LEU 48 CO 0.05 -0.07 1.06 -0.94 0.02 0.00 0.00 176.35 176.46 1j6w s SER 49 N -1.99 6.04 0.25 2.29 1.04 -1.26 -4.85 113.70 115.22 1j6w s SER 49 Ca 0.48 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.76 1j6w s SER 49 Cb -0.13 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 63.75 1j6w s SER 49 CO 0.19 -0.99 1.89 -0.65 0.98 0.00 0.00 173.24 174.66 1j6w h PRO 50 N 1.04 1.13 -0.09 4.02 0.11 -1.98 0.68 132.00 136.91 1j6w h PRO 50 Ca -0.48 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.33 1j6w h PRO 50 Cb 1.22 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 32.09 1j6w h PRO 50 CO 0.58 0.75 -0.87 0.87 -0.21 0.00 0.00 178.00 179.12 1j6w h LYS 51 N 1.16 0.69 -0.42 1.05 1.57 -1.93 -2.68 116.57 116.02 1j6w h LYS 51 Ca 0.38 -0.63 -0.06 0.00 -1.87 0.00 0.00 60.65 58.47 1j6w h LYS 51 Cb 0.04 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1j6w h LYS 51 CO -0.13 1.23 0.01 0.78 -0.57 0.00 0.00 179.45 180.78 1j6w h GLY 52 N 0.66 0.79 2.00 3.86 0.00 -1.70 -1.36 103.07 107.32 1j6w h GLY 52 Ca -0.08 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.63 1j6w h GLY 52 CO 0.17 0.52 -0.25 1.19 0.00 0.00 0.00 176.54 178.17 1j6w h ILE 53 N 0.57 0.81 -0.12 2.60 2.10 -0.92 0.28 117.51 122.82 1j6w h ILE 53 Ca 0.12 -1.00 -0.15 0.00 1.08 0.00 0.00 64.86 64.91 1j6w h ILE 53 Cb 0.46 1.61 0.01 0.00 -1.09 0.00 0.00 36.82 37.80 1j6w h ILE 53 CO 0.02 0.24 -0.52 -0.74 -1.08 0.00 0.00 178.15 176.07 1j6w h HIS 54 N 0.00 0.77 -0.41 2.19 2.76 -1.12 -0.85 115.15 118.48 1j6w h HIS 54 Ca -0.00 -0.33 -0.10 0.00 -2.20 0.00 0.00 60.37 57.74 1j6w h HIS 54 Cb 0.59 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 1j6w h HIS 54 CO 0.00 1.11 -0.14 1.15 -1.30 0.00 0.00 177.93 178.75 1j6w h THR 55 N 0.21 1.28 -0.61 6.26 2.02 -0.93 -2.76 112.91 118.37 1j6w h THR 55 Ca -0.03 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1j6w h THR 55 Cb 1.16 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1j6w h THR 55 CO 0.11 0.42 0.28 0.25 0.37 0.00 0.00 175.52 176.95 1j6w h LEU 56 N 0.63 0.79 -0.49 2.58 5.85 -0.97 -2.69 115.31 121.02 1j6w h LEU 56 Ca 0.10 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1j6w h LEU 56 Cb 0.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1j6w h LEU 56 CO 0.05 0.69 0.31 -0.08 -0.34 0.00 0.00 178.44 179.06 1j6w h GLU 57 N 0.87 0.61 0.01 1.25 4.81 -0.88 0.41 114.58 121.65 1j6w h GLU 57 Ca 0.21 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1j6w h GLU 57 Cb 0.12 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1j6w h GLU 57 CO -0.03 0.40 -0.01 0.45 -0.73 0.00 0.00 179.01 179.09 1j6w h HIS 58 N 0.62 -0.03 -0.12 0.92 3.86 -1.22 -1.33 115.15 117.84 1j6w h HIS 58 Ca 0.19 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1j6w h HIS 58 Cb -0.04 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1j6w h HIS 58 CO -0.05 -0.02 -0.04 -0.07 0.86 0.00 0.00 177.93 178.61 1j6w h LEU 59 N -0.03 0.24 -0.56 2.43 3.38 -1.21 -3.18 115.31 116.38 1j6w h LEU 59 Ca 0.00 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1j6w h LEU 59 Cb 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1j6w h LEU 59 CO -0.01 0.57 0.29 0.15 0.09 0.00 0.00 178.44 179.53 1j6w h PHE 60 N -0.09 0.80 0.00 1.13 3.57 -0.20 0.64 116.94 122.78 1j6w h PHE 60 Ca 0.03 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1j6w h PHE 60 Cb 0.46 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1j6w h PHE 60 CO 0.06 0.60 -0.16 0.00 -2.23 0.00 0.00 178.31 176.57 1j6w h ALA 61 N 1.12 1.67 0.00 2.41 0.00 -1.32 -3.07 119.26 120.07 1j6w h ALA 61 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1j6w h ALA 61 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1j6w h ALA 61 CO -0.03 0.20 -0.30 0.78 0.00 0.00 0.00 179.25 179.91 1j6w h GLY 62 N 0.53 0.00 -2.56 0.00 0.00 -1.42 -3.28 103.07 96.34 1j6w h GLY 62 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1j6w h GLY 62 CO 0.02 0.01 0.00 0.69 0.00 0.00 0.00 176.54 177.26 1j6w n PHE 63 N -4.56 0.00 0.00 5.60 3.72 0.17 -1.95 117.46 120.44 1j6w n PHE 63 Ca -0.15 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.11 1j6w n PHE 63 Cb 0.53 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1j6w n PHE 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1j6w n ARG 65 N 1.21 0.00 -0.20 -1.08 1.74 -1.24 -1.35 116.66 115.74 1j6w n ARG 65 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1j6w n ARG 65 Cb 0.11 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1j6w n ARG 65 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1j6w h ASP 66 N 0.00 0.80 1.07 0.55 3.32 -1.71 -1.45 116.42 119.00 1j6w h ASP 66 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1j6w h ASP 66 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1j6w h ASP 66 CO 0.00 0.77 -0.56 0.45 -1.72 0.00 0.00 179.24 178.18 1j6w h HIS 67 N 0.78 0.00 0.00 4.55 3.86 -1.51 -3.41 115.15 119.42 1j6w h HIS 67 Ca 0.19 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.25 1j6w h HIS 67 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 1j6w h HIS 67 CO 0.01 0.00 -1.53 -0.11 0.86 0.00 0.00 177.93 177.16 1j6w n LEU 68 N -2.32 1.36 -4.75 2.43 7.94 -1.17 -4.91 117.00 115.57 1j6w n LEU 68 Ca 0.03 -0.02 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 1j6w n LEU 68 Cb 0.47 -0.05 -0.02 0.00 0.53 0.00 0.00 43.42 44.35 1j6w n LEU 68 CO 0.36 0.40 1.15 0.20 -1.11 0.00 0.00 177.39 178.39 1j6w s ASN 69 N -4.39 6.53 0.00 1.96 0.01 -0.56 -4.70 114.94 113.80 1j6w s ASN 69 Ca -0.08 2.81 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 1j6w s ASN 69 Cb 0.03 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.05 1j6w s ASN 69 CO 0.27 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 1j6w n GLY 70 N 1.88 1.64 0.38 0.66 0.00 -0.30 -4.95 105.19 104.51 1j6w n GLY 70 Ca 0.06 -0.86 0.15 0.00 0.00 0.00 0.00 46.02 45.37 1j6w n GLY 70 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j6w h ASP 71 N 0.00 0.42 -0.20 1.61 3.32 -2.03 -2.59 116.42 116.96 1j6w h ASP 71 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1j6w h ASP 71 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1j6w h ASP 71 CO 0.00 0.21 0.00 -1.20 -1.72 0.00 0.00 179.24 176.53 1j6w n SER 72 N -4.49 2.45 -3.81 6.45 7.64 -1.26 -4.98 113.62 115.62 1j6w n SER 72 Ca 0.15 -1.78 -0.16 0.00 1.01 0.00 0.00 58.87 58.09 1j6w n SER 72 Cb 0.54 -0.13 -0.16 0.00 -1.01 0.00 0.00 64.21 63.45 1j6w n SER 72 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1j6w s ILE 73 N -0.93 0.08 -0.20 0.44 1.01 -0.97 -4.34 121.20 116.28 1j6w s ILE 73 Ca 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 1j6w s ILE 73 Cb 0.10 -0.18 0.07 0.00 0.01 0.00 0.00 42.46 42.46 1j6w s ILE 73 CO 0.13 0.11 0.08 -0.70 0.00 0.00 0.00 174.94 174.56 1j6w s GLU 74 N 0.92 0.24 0.17 2.79 2.12 -0.74 -1.15 118.70 123.06 1j6w s GLU 74 Ca -0.08 -0.26 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 1j6w s GLU 74 Cb -0.12 -1.81 -0.10 0.00 0.26 0.00 0.00 34.13 32.36 1j6w s GLU 74 CO -0.02 -0.72 1.51 0.42 -0.54 0.00 0.00 175.26 175.91 1j6w s ILE 75 N 2.05 2.74 -0.17 -3.70 1.01 -1.26 -0.75 121.20 121.11 1j6w s ILE 75 Ca 0.03 0.55 -0.17 0.00 0.00 0.00 0.00 60.65 61.05 1j6w s ILE 75 Cb -0.16 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.83 1j6w s ILE 75 CO -0.13 0.05 0.13 0.40 0.00 0.00 0.00 174.94 175.39 1j6w h ILE 76 N 3.96 0.64 -2.18 2.92 2.04 -1.34 -3.47 117.51 120.08 1j6w h ILE 76 Ca -0.43 -1.73 -0.07 0.00 1.00 0.00 0.00 64.86 63.63 1j6w h ILE 76 Cb 1.21 1.46 -0.20 0.00 -0.74 0.00 0.00 36.82 38.55 1j6w h ILE 76 CO 0.88 0.22 0.10 -0.62 0.00 0.00 0.00 178.15 178.73 1j6w s ASP 77 N -6.34 -0.60 -0.12 1.72 2.15 -1.08 -5.00 116.67 107.40 1j6w s ASP 77 Ca -0.21 0.72 -0.02 0.00 0.43 0.00 0.00 52.55 53.47 1j6w s ASP 77 Cb 0.03 0.63 0.04 0.00 -0.30 0.00 0.00 42.92 43.33 1j6w s ASP 77 CO 0.44 -0.53 0.01 -0.63 -0.17 0.00 0.00 175.17 174.29 1j6w s ILE 78 N -0.97 0.51 0.05 4.11 1.01 -1.26 -1.09 121.20 123.57 1j6w s ILE 78 Ca -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1j6w s ILE 78 Cb -0.01 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 1j6w s ILE 78 CO 0.08 0.09 -0.06 -0.44 0.00 0.00 0.00 174.94 174.61 1j6w s SER 79 N 1.90 0.74 0.00 3.58 0.01 -0.61 -4.89 113.70 114.43 1j6w s SER 79 Ca 0.03 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1j6w s SER 79 Cb -0.14 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1j6w s SER 79 CO -0.07 -0.32 0.00 -0.81 0.41 0.00 0.00 173.24 172.45 1j6w n PRO 80 N 1.04 3.41 -0.09 12.44 -0.04 -1.26 -0.77 135.00 149.72 1j6w n PRO 80 Ca -0.20 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 1j6w n PRO 80 Cb 0.57 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.89 1j6w n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j6w n GLY 82 N 3.73 -0.78 0.00 0.55 0.00 -1.26 -4.80 105.19 102.63 1j6w n GLY 82 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1j6w n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j6w n ARG 84 N -1.31 -4.06 -0.09 0.00 1.74 -1.26 -4.78 116.66 106.91 1j6w n ARG 84 Ca 0.10 0.73 0.05 0.00 -0.77 0.00 0.00 57.85 57.96 1j6w n ARG 84 Cb 0.18 -5.52 0.09 0.00 -1.02 0.00 0.00 32.46 26.20 1j6w n ARG 84 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1j6w n THR 85 N -4.21 0.63 -3.45 0.55 -2.24 -1.26 -0.82 114.28 103.48 1j6w n THR 85 Ca -0.08 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 1j6w n THR 85 Cb 0.59 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1j6w n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j6w n GLY 86 N 0.39 -0.90 3.13 3.38 0.00 -1.26 -0.40 105.19 109.54 1j6w n GLY 86 Ca 0.08 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 1j6w n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j6w s PHE 87 N -3.00 0.99 0.18 1.61 0.40 -0.32 -4.58 117.98 113.26 1j6w s PHE 87 Ca 0.00 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1j6w s PHE 87 Cb 0.00 -0.56 0.03 0.00 0.51 0.00 0.00 43.02 42.99 1j6w s PHE 87 CO 0.00 -0.00 0.21 0.66 0.70 0.00 0.00 175.22 176.78 1j6w n TYR 88 N 1.20 -2.15 -3.63 0.36 4.02 0.05 -0.10 117.16 116.92 1j6w n TYR 88 Ca -0.21 -0.71 -0.08 0.00 -0.01 0.00 0.00 57.90 56.89 1j6w n TYR 88 Cb 0.55 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.64 1j6w n TYR 88 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1j6w s SER 90 N -2.12 -0.31 0.18 7.72 1.04 -0.25 -1.57 113.70 118.39 1j6w s SER 90 Ca 0.16 0.52 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1j6w s SER 90 Cb -0.01 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1j6w s SER 90 CO 0.10 -0.16 0.51 -1.48 0.98 0.00 0.00 173.24 173.19 1j6w s LEU 91 N -0.25 0.07 -0.22 2.42 2.34 -0.25 -0.87 118.68 121.92 1j6w s LEU 91 Ca 0.03 -0.39 -0.18 0.00 0.06 0.00 0.00 54.13 53.66 1j6w s LEU 91 Cb -0.04 2.13 -0.03 0.00 -0.56 0.00 0.00 46.19 47.70 1j6w s LEU 91 CO -0.06 -1.00 0.49 -0.63 -1.06 0.00 0.00 176.35 174.08 1j6w s ILE 92 N -3.85 5.12 -3.32 1.48 1.01 0.07 -1.36 121.20 120.35 1j6w s ILE 92 Ca 0.07 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1j6w s ILE 92 Cb -0.00 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1j6w s ILE 92 CO -0.06 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.66 1j6w n GLY 93 N 4.07 0.91 2.69 6.18 0.00 -0.05 -1.79 105.19 117.19 1j6w n GLY 93 Ca -0.05 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.82 1j6w n GLY 93 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j6w n THR 94 N 0.48 1.01 -2.01 2.61 5.66 -1.26 -3.88 114.28 116.88 1j6w n THR 94 Ca 0.00 -2.99 -0.34 0.00 -3.05 0.00 0.00 64.05 57.67 1j6w n THR 94 Cb 0.00 0.78 0.03 0.00 -1.55 0.00 0.00 70.33 69.59 1j6w n THR 94 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1j6w s PRO 95 N -3.15 3.05 0.73 1.09 0.04 -1.26 -5.03 135.00 130.47 1j6w s PRO 95 Ca 0.27 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 1j6w s PRO 95 Cb 0.44 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 33.14 1j6w s PRO 95 CO 0.02 -1.09 1.01 0.54 0.04 0.00 0.00 177.00 177.53 1j6w s ASN 96 N -2.02 4.29 0.25 6.66 2.20 -1.26 -4.92 114.94 120.15 1j6w s ASN 96 Ca 0.72 -0.33 -0.04 0.00 -0.94 0.00 0.00 52.86 52.27 1j6w s ASN 96 Cb -0.24 -0.04 0.39 0.00 -2.00 0.00 0.00 41.25 39.36 1j6w s ASN 96 CO 0.34 -1.90 1.85 -0.33 -2.94 0.00 0.00 177.10 174.11 1j6w h GLU 97 N -0.58 0.98 -0.08 3.55 3.07 -1.95 -2.45 114.58 117.11 1j6w h GLU 97 Ca -0.37 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1j6w h GLU 97 Cb 1.27 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1j6w h GLU 97 CO 0.40 0.65 0.05 0.37 -1.40 0.00 0.00 179.01 179.08 1j6w h GLN 98 N 1.01 0.11 -0.99 2.33 4.15 -1.97 0.18 115.11 119.93 1j6w h GLN 98 Ca 0.41 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.86 1j6w h GLN 98 Cb 0.23 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 1j6w h GLN 98 CO -0.19 0.08 0.64 -0.22 -1.93 0.00 0.00 178.83 177.21 1j6w h LYS 99 N 0.11 1.21 -0.34 1.69 3.64 -1.85 -1.09 116.57 119.93 1j6w h LYS 99 Ca 0.03 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1j6w h LYS 99 Cb -0.01 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1j6w h LYS 99 CO -0.01 0.80 -0.15 0.28 -2.27 0.00 0.00 179.45 178.11 1j6w h VAL 100 N 1.25 1.29 -0.21 2.00 2.07 -1.09 -2.79 116.25 118.77 1j6w h VAL 100 Ca 0.39 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1j6w h VAL 100 Cb 0.00 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1j6w h VAL 100 CO -0.12 0.41 -0.16 0.77 0.02 0.00 0.00 177.57 178.48 1j6w h SER 101 N 0.49 0.34 0.62 0.57 4.64 -0.16 -0.86 113.55 119.18 1j6w h SER 101 Ca 0.08 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1j6w h SER 101 Cb 0.68 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1j6w h SER 101 CO 0.05 0.53 -0.73 -0.33 -0.87 0.00 0.00 176.83 175.47 1j6w h GLU 102 N 0.33 0.09 -0.10 4.77 5.08 -1.17 -0.88 114.58 122.70 1j6w h GLU 102 Ca 0.06 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1j6w h GLU 102 Cb 0.48 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j6w h GLU 102 CO 0.03 0.78 -0.70 0.00 -1.00 0.00 0.00 179.01 178.13 1j6w h ALA 103 N 1.19 0.61 0.08 3.43 0.00 -1.18 -2.41 119.26 120.98 1j6w h ALA 103 Ca -0.02 -0.59 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1j6w h ALA 103 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j6w h ALA 103 CO 0.10 0.74 -0.04 2.35 0.00 0.00 0.00 179.25 182.41 1j6w h TRP 104 N 0.31 -0.09 -0.65 0.00 2.91 -1.02 -1.12 115.95 116.29 1j6w h TRP 104 Ca -0.02 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.06 1j6w h TRP 104 Cb 1.26 0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.89 1j6w h TRP 104 CO 0.05 0.13 0.34 1.25 -1.03 0.00 0.00 178.44 179.17 1j6w h LEU 105 N -0.31 0.47 -1.22 0.65 5.85 -1.12 -0.35 115.31 119.28 1j6w h LEU 105 Ca -0.01 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1j6w h LEU 105 Cb 0.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1j6w h LEU 105 CO 0.02 0.30 -0.24 0.00 -0.34 0.00 0.00 178.44 178.18 1j6w h ALA 106 N 1.36 1.35 0.00 1.25 0.00 -1.35 -2.90 119.26 118.98 1j6w h ALA 106 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j6w h ALA 106 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j6w h ALA 106 CO -0.21 0.45 0.00 0.43 0.00 0.00 0.00 179.25 179.92 1j6w n SER 107 N -4.18 1.58 0.00 0.00 7.64 -0.14 -1.70 113.62 116.82 1j6w n SER 107 Ca -0.01 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.76 1j6w n SER 107 Cb 0.35 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1j6w n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j6w n GLN 109 N 1.20 0.00 -0.29 1.43 1.13 -1.09 -1.39 117.38 118.36 1j6w n GLN 109 Ca 0.00 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.02 1j6w n GLN 109 Cb 0.20 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.63 1j6w n GLN 109 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1j6w h ASP 110 N 0.00 0.92 -0.59 1.08 3.45 -1.63 -1.40 116.42 118.25 1j6w h ASP 110 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1j6w h ASP 110 Cb 0.00 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.52 1j6w h ASP 110 CO 0.00 0.66 0.37 0.58 -1.57 0.00 0.00 179.24 179.28 1j6w h VAL 111 N 1.08 1.17 0.00 -1.35 2.07 -1.51 -0.93 116.25 116.78 1j6w h VAL 111 Ca 0.30 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1j6w h VAL 111 Cb -0.11 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1j6w h VAL 111 CO -0.07 0.17 -0.08 -0.07 0.02 0.00 0.00 177.57 177.53 1j6w h LEU 112 N 0.79 0.00 -0.67 2.57 4.07 -1.68 -1.48 115.31 118.92 1j6w h LEU 112 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1j6w h LEU 112 Cb -0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1j6w h LEU 112 CO -0.04 0.08 0.00 1.23 -1.08 0.00 0.00 178.44 178.63 1j6w h GLY 113 N 0.31 0.00 -7.30 0.83 0.00 -0.10 -3.39 103.07 93.41 1j6w h GLY 113 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1j6w h GLY 113 CO 0.01 0.00 0.84 0.14 0.00 0.00 0.00 176.54 177.53 1j6w s VAL 114 N -3.33 4.02 0.14 4.60 1.01 -0.56 -4.90 120.40 121.38 1j6w s VAL 114 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1j6w s VAL 114 Cb 0.10 -4.82 -0.16 0.00 0.00 0.00 0.00 36.38 31.50 1j6w s VAL 114 CO 0.47 -1.67 1.34 1.56 0.00 0.00 0.00 175.10 176.79 1j6w h GLN 115 N 9.79 0.37 -4.06 2.72 4.20 -1.84 -3.46 115.11 122.82 1j6w h GLN 115 Ca -0.26 -0.38 -0.23 0.00 0.06 0.00 0.00 58.65 57.84 1j6w h GLN 115 Cb 1.06 0.10 -0.24 0.00 0.30 0.00 0.00 27.48 28.70 1j6w h GLN 115 CO 1.24 1.05 -0.72 0.16 -0.67 0.00 0.00 178.83 179.89 1j6w s ASP 116 N -7.03 0.33 0.38 1.46 3.84 -1.26 -5.03 116.67 109.36 1j6w s ASP 116 Ca -0.05 -0.30 0.06 0.00 -0.00 0.00 0.00 52.55 52.25 1j6w s ASP 116 Cb 0.09 0.03 0.78 0.00 -1.38 0.00 0.00 42.92 42.44 1j6w s ASP 116 CO 0.85 -0.14 2.02 -0.61 -0.00 0.00 0.00 175.17 177.29 1j6w h GLN 117 N 5.27 0.66 0.00 2.11 4.15 -1.97 0.58 115.11 125.91 1j6w h GLN 117 Ca -0.30 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.08 1j6w h GLN 117 Cb 1.21 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1j6w h GLN 117 CO 0.45 0.44 0.00 0.00 -1.93 0.00 0.00 178.83 177.79 1j6w h ALA 118 N 1.67 1.00 0.00 3.38 0.00 -2.01 0.01 119.26 123.31 1j6w h ALA 118 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j6w h ALA 118 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j6w h ALA 118 CO -0.05 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.65 1j6w n SER 119 N -2.80 0.49 -4.46 0.00 2.88 0.20 -4.58 113.62 105.34 1j6w n SER 119 Ca -0.02 0.56 -0.43 0.00 -1.33 0.00 0.00 58.87 57.65 1j6w n SER 119 Cb 0.10 -0.68 -0.05 0.00 -0.75 0.00 0.00 64.21 62.83 1j6w n SER 119 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1j6w s ILE 120 N -3.09 4.55 0.19 2.46 1.01 -0.01 -4.95 121.20 121.35 1j6w s ILE 120 Ca 0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 1j6w s ILE 120 Cb 0.14 -4.52 0.13 0.00 0.01 0.00 0.00 42.46 38.22 1j6w s ILE 120 CO 0.52 -1.15 1.69 -0.65 0.00 0.00 0.00 174.94 175.36 1j6w h PRO 121 N 9.30 0.13 0.00 2.79 0.11 -1.85 -3.18 132.00 139.29 1j6w h PRO 121 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1j6w h PRO 121 Cb 1.08 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1j6w h PRO 121 CO 1.09 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 178.11 1j6w n GLU 122 N -5.22 0.74 -2.05 1.05 0.00 -1.26 -4.49 120.64 109.41 1j6w n GLU 122 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.80 1j6w n GLU 122 Cb 0.27 -1.02 -0.00 0.00 0.00 0.00 0.00 31.44 30.68 1j6w n GLU 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1j6w n LEU 123 N -0.52 7.03 -4.09 -1.84 4.77 -1.20 -3.73 117.00 117.42 1j6w n LEU 123 Ca 0.01 -4.52 -0.10 0.00 -0.03 0.00 0.00 56.01 51.37 1j6w n LEU 123 Cb 0.00 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.50 1j6w n LEU 123 CO 0.01 1.44 -0.05 0.54 -1.33 0.00 0.00 177.39 177.99 1j6w s ASN 124 N 1.53 0.05 0.59 -1.43 2.20 -1.26 -4.95 114.94 111.67 1j6w s ASN 124 Ca 0.45 -1.13 0.39 0.00 -0.94 0.00 0.00 52.86 51.63 1j6w s ASN 124 Cb 0.12 0.46 1.92 0.00 -2.00 0.00 0.00 41.25 41.76 1j6w s ASN 124 CO -0.04 -0.96 2.17 0.16 -2.94 0.00 0.00 177.10 175.49 1j6w h ILE 125 N 2.48 0.00 0.20 0.54 3.07 -1.89 -2.39 117.51 119.51 1j6w h ILE 125 Ca -0.31 -0.19 -0.33 0.00 1.55 0.00 0.00 64.86 65.57 1j6w h ILE 125 Cb 1.24 1.15 0.02 0.00 -0.27 0.00 0.00 36.82 38.97 1j6w h ILE 125 CO 0.46 0.00 -1.52 1.88 -1.05 0.00 0.00 178.15 177.92 1j6w h TYR 126 N 0.00 0.78 -0.02 0.16 0.05 -1.96 -3.39 116.97 112.59 1j6w h TYR 126 Ca 0.00 -0.57 0.00 0.00 0.05 0.00 0.00 58.73 58.21 1j6w h TYR 126 Cb 0.20 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1j6w h TYR 126 CO 0.00 1.52 -0.12 1.04 -1.05 0.00 0.00 178.16 179.55 1j6w n GLN 127 N -3.62 1.41 -4.11 4.88 6.02 -1.16 -4.99 117.38 115.81 1j6w n GLN 127 Ca -0.17 -1.16 -0.14 0.00 -0.01 0.00 0.00 57.00 55.51 1j6w n GLN 127 Cb 1.08 -1.27 -0.13 0.00 1.02 0.00 0.00 30.24 30.94 1j6w n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j6w h GLY 129 N 5.26 0.00 -5.63 0.00 0.00 -1.89 -3.38 103.07 97.43 1j6w h GLY 129 Ca -0.32 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.59 1j6w h GLY 129 CO 0.45 0.00 -0.86 1.44 0.00 0.00 0.00 176.54 177.57 1j6w n SER 130 N -3.39 -1.09 0.29 0.19 7.64 -1.26 -5.03 113.62 110.97 1j6w n SER 130 Ca 0.01 -2.90 0.19 0.00 1.01 0.00 0.00 58.87 57.17 1j6w n SER 130 Cb 0.58 0.33 0.96 0.00 -1.01 0.00 0.00 64.21 65.07 1j6w n SER 130 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1j6w h TYR 131 N 4.13 0.00 -0.00 1.43 -0.00 -1.83 -1.19 116.97 119.51 1j6w h TYR 131 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1j6w h TYR 131 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 1j6w h TYR 131 CO 0.23 0.00 -0.52 0.25 -0.00 0.00 0.00 178.16 178.11 1j6w n THR 132 N -3.27 0.00 -1.50 -0.90 -2.24 -1.26 -4.54 114.28 100.57 1j6w n THR 132 Ca -0.01 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1j6w n THR 132 Cb 0.26 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1j6w n THR 132 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1j6w n GLU 133 N -1.19 3.94 -4.09 -0.78 4.07 -0.45 -4.90 120.64 117.25 1j6w n GLU 133 Ca 0.07 -2.54 -0.11 0.00 -0.06 0.00 0.00 57.16 54.52 1j6w n GLU 133 Cb 0.35 -2.76 -0.11 0.00 -0.06 0.00 0.00 31.44 28.86 1j6w n GLU 133 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1j6w s HIS 134 N 1.29 0.67 -0.34 4.31 3.76 -1.26 -4.60 115.29 119.13 1j6w s HIS 134 Ca 0.65 -0.71 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1j6w s HIS 134 Cb 0.18 -0.41 0.18 0.00 1.11 0.00 0.00 32.58 33.64 1j6w s HIS 134 CO -0.07 -0.16 0.52 0.45 -0.85 0.00 0.00 174.74 174.64 1j6w s SER 135 N -2.22 -0.65 0.39 1.40 0.15 -1.20 -4.90 113.70 106.66 1j6w s SER 135 Ca -0.01 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.22 1j6w s SER 135 Cb -0.03 1.55 0.78 0.00 -1.71 0.00 0.00 66.02 66.62 1j6w s SER 135 CO -0.03 -0.27 1.94 0.25 1.20 0.00 0.00 173.24 176.33 1j6w h LEU 136 N 7.63 0.29 -0.66 3.45 6.46 -1.95 -2.12 115.31 128.41 1j6w h LEU 136 Ca -0.01 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1j6w h LEU 136 Cb 1.15 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1j6w h LEU 136 CO 0.17 0.39 0.32 -0.33 -0.62 0.00 0.00 178.44 178.37 1j6w h GLU 137 N 0.30 0.95 -0.46 1.25 3.07 -1.99 0.17 114.58 117.88 1j6w h GLU 137 Ca 0.07 -0.14 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 1j6w h GLU 137 Cb 0.30 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1j6w h GLU 137 CO 0.01 0.76 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.87 1j6w h ASP 138 N 0.91 0.85 -0.75 1.42 3.32 -1.84 -1.49 116.42 118.85 1j6w h ASP 138 Ca 0.23 -0.34 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1j6w h ASP 138 Cb 0.12 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1j6w h ASP 138 CO -0.03 1.00 0.45 0.00 -1.72 0.00 0.00 179.24 178.94 1j6w h ALA 139 N 0.89 0.95 -0.57 3.45 0.00 -1.00 0.43 119.26 123.42 1j6w h ALA 139 Ca 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j6w h ALA 139 Cb 0.60 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1j6w h ALA 139 CO 0.04 0.43 0.30 0.45 0.00 0.00 0.00 179.25 180.47 1j6w h HIS 140 N 1.02 0.78 -0.85 0.00 3.86 -0.48 -1.07 115.15 118.42 1j6w h HIS 140 Ca 0.27 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1j6w h HIS 140 Cb -0.03 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 1j6w h HIS 140 CO -0.01 0.58 0.45 1.49 0.86 0.00 0.00 177.93 181.30 1j6w h GLU 141 N 0.76 1.19 -0.26 2.45 4.81 -0.64 -0.97 114.58 121.92 1j6w h GLU 141 Ca 0.20 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1j6w h GLU 141 Cb 0.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1j6w h GLU 141 CO -0.03 0.88 0.05 0.82 -0.73 0.00 0.00 179.01 180.01 1j6w h ILE 142 N 1.18 1.22 -0.26 2.32 2.04 -0.54 -1.96 117.51 121.51 1j6w h ILE 142 Ca 0.30 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1j6w h ILE 142 Cb 0.05 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1j6w h ILE 142 CO -0.04 0.24 0.11 0.00 0.00 0.00 0.00 178.15 178.45 1j6w h ALA 143 N 0.88 0.30 -0.90 1.87 0.00 -0.85 -0.81 119.26 119.76 1j6w h ALA 143 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j6w h ALA 143 Cb 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1j6w h ALA 143 CO 0.00 -0.30 0.58 0.87 0.00 0.00 0.00 179.25 180.41 1j6w h LYS 144 N 0.23 1.20 -0.56 0.00 1.57 -1.14 -0.34 116.57 117.54 1j6w h LYS 144 Ca 0.11 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1j6w h LYS 144 Cb 0.07 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1j6w h LYS 144 CO -0.10 0.81 -0.05 -0.97 -0.57 0.00 0.00 179.45 178.57 1j6w h ASN 145 N 1.23 0.98 -0.48 0.86 -0.73 -0.75 -0.06 115.58 116.63 1j6w h ASN 145 Ca 0.33 -0.29 -0.11 0.00 1.87 0.00 0.00 56.30 58.09 1j6w h ASN 145 Cb -0.12 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.20 1j6w h ASN 145 CO -0.07 1.06 -0.14 0.58 -0.37 0.00 0.00 177.43 178.50 1j6w h VAL 146 N 0.90 1.27 -0.62 2.57 2.07 -0.52 -0.62 116.25 121.30 1j6w h VAL 146 Ca 0.15 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1j6w h VAL 146 Cb 0.59 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1j6w h VAL 146 CO 0.04 0.44 0.16 0.40 0.02 0.00 0.00 177.57 178.63 1j6w h ILE 147 N 0.80 1.25 -0.23 4.57 2.04 -0.88 -0.11 117.51 124.94 1j6w h ILE 147 Ca 0.12 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 64.93 1j6w h ILE 147 Cb 0.70 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1j6w h ILE 147 CO 0.05 0.34 -0.48 0.00 0.00 0.00 0.00 178.15 178.06 1j6w h ALA 148 N 1.05 0.73 0.00 1.87 0.00 -0.87 -3.22 119.26 118.82 1j6w h ALA 148 Ca 0.20 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1j6w h ALA 148 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1j6w h ALA 148 CO -0.00 0.67 -0.69 0.00 0.00 0.00 0.00 179.25 179.23 1j6w h ARG 149 N 0.48 0.00 0.00 0.00 3.08 -0.99 -3.51 114.38 113.45 1j6w h ARG 149 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j6w h ARG 149 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1j6w h ARG 149 CO 0.09 0.31 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 1j6w n GLY 150 N 1.24 -1.79 3.35 0.04 0.00 -0.07 -4.90 105.19 103.07 1j6w n GLY 150 Ca -0.01 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1j6w n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j6w s ILE 151 N -3.06 3.51 0.00 -0.61 1.01 -1.26 -4.14 121.20 116.65 1j6w s ILE 151 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1j6w s ILE 151 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1j6w s ILE 151 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1j6w n GLY 152 N 4.54 1.91 3.01 6.18 0.00 0.07 -4.93 105.19 115.97 1j6w n GLY 152 Ca -0.18 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1j6w n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j6w s VAL 153 N 2.40 0.02 -0.06 1.61 1.01 -1.26 -1.63 120.40 122.49 1j6w s VAL 153 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1j6w s VAL 153 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1j6w s VAL 153 CO 0.00 -0.11 -0.22 0.20 0.00 0.00 0.00 175.10 174.97 1j6w s ASN 154 N -0.33 2.75 -0.08 3.32 0.01 -0.65 -4.86 114.94 115.10 1j6w s ASN 154 Ca -0.04 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1j6w s ASN 154 Cb -0.03 -0.85 -0.02 0.00 0.41 0.00 0.00 41.25 40.76 1j6w s ASN 154 CO 0.00 0.20 -0.14 -0.54 -1.51 0.00 0.00 177.10 175.11 1j6w s LYS 155 N 0.00 2.88 0.39 -0.60 1.02 -1.26 -4.34 119.74 117.83 1j6w s LYS 155 Ca -0.06 -0.70 0.16 0.00 0.02 0.00 0.00 55.97 55.39 1j6w s LYS 155 Cb -0.14 -2.47 1.03 0.00 -0.52 0.00 0.00 37.83 35.73 1j6w s LYS 155 CO 0.04 0.44 1.81 -0.91 -0.92 0.00 0.00 175.35 175.81 1j6w h ASN 156 N 5.95 0.49 -0.73 2.83 -0.26 -1.97 -0.99 115.58 120.89 1j6w h ASN 156 Ca -0.37 0.07 0.06 0.00 -0.56 0.00 0.00 56.30 55.49 1j6w h ASN 156 Cb 1.18 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 38.38 1j6w h ASN 156 CO 0.52 0.16 0.48 -0.33 -1.06 0.00 0.00 177.43 177.20 1j6w h GLU 157 N 0.46 0.77 -0.22 0.81 3.07 -1.99 -1.39 114.58 116.09 1j6w h GLU 157 Ca 0.54 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1j6w h GLU 157 Cb 1.26 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1j6w h GLU 157 CO -0.25 0.51 0.00 -0.25 -1.40 0.00 0.00 179.01 177.62 1j6w n ASP 158 N -4.47 1.69 -0.31 1.42 8.00 -0.38 -4.06 116.55 118.42 1j6w n ASP 158 Ca 0.10 -1.80 0.08 0.00 0.71 0.00 0.00 54.79 53.88 1j6w n ASP 158 Cb 0.20 -0.15 0.17 0.00 -0.02 0.00 0.00 41.12 41.32 1j6w n ASP 158 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j6w n LEU 159 N 0.36 2.49 -4.77 0.64 4.77 -0.52 -5.00 117.00 114.97 1j6w n LEU 159 Ca 0.14 -3.43 -0.40 0.00 -0.03 0.00 0.00 56.01 52.30 1j6w n LEU 159 Cb 0.31 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1j6w n LEU 159 CO 0.11 1.01 1.04 -0.44 -1.33 0.00 0.00 177.39 177.78 1j6w s SER 160 N -3.02 6.01 -0.06 -1.43 0.01 -1.24 0.10 113.70 114.07 1j6w s SER 160 Ca 0.34 2.84 0.01 0.00 1.31 0.00 0.00 55.95 60.45 1j6w s SER 160 Cb 0.32 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1j6w s SER 160 CO -0.02 -1.07 -0.06 -0.76 0.41 0.00 0.00 173.24 171.74 1j6w s LEU 161 N -2.63 3.19 0.00 2.44 1.43 -1.26 -4.61 118.68 117.25 1j6w s LEU 161 Ca 0.60 -0.02 0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1j6w s LEU 161 Cb -0.42 -1.71 0.19 0.00 0.03 0.00 0.00 46.19 44.28 1j6w s LEU 161 CO 0.54 0.36 1.25 0.47 0.23 0.00 0.00 176.35 179.20