#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j3w s GLU 0 N 0.00 2.62 -0.03 3.23 2.02 -1.26 -5.12 118.70 120.15 2j3w s GLU 0 Ca 0.00 -0.48 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 2j3w s GLU 0 Cb 0.00 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2j3w s GLU 0 CO 0.00 -0.75 0.11 -1.64 0.02 0.00 0.00 175.26 173.00 2j3w s MET 1 N -4.87 0.24 -0.14 1.61 -1.94 -1.26 -5.16 119.30 107.78 2j3w s MET 1 Ca 0.56 -0.03 -0.07 0.00 -1.71 0.00 0.00 55.69 54.43 2j3w s MET 1 Cb -0.10 0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.80 2j3w s MET 1 CO 0.41 -0.04 0.13 -1.54 -0.01 0.00 0.00 175.02 173.96 2j3w s SER 2 N -0.41 6.28 0.97 3.03 1.04 -1.26 -5.09 113.70 118.27 2j3w s SER 2 Ca -0.05 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 2j3w s SER 2 Cb -0.03 -2.04 0.17 0.00 0.10 0.00 0.00 66.02 64.22 2j3w s SER 2 CO 0.00 0.36 1.09 -0.83 0.98 0.00 0.00 173.24 174.84 2j3w s GLY 3 N -0.73 1.61 -0.15 7.32 0.00 -1.26 -4.79 107.32 109.32 2j3w s GLY 3 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.89 2j3w s GLY 3 CO 0.03 0.57 -0.16 -0.45 0.00 0.00 0.00 173.10 173.09 2j3w s SER 4 N -3.07 3.63 -0.03 1.64 0.15 -1.26 -4.58 113.70 110.18 2j3w s SER 4 Ca 0.65 -0.47 0.06 0.00 0.70 0.00 0.00 55.95 56.89 2j3w s SER 4 Cb -0.21 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.54 2j3w s SER 4 CO 0.59 0.09 -0.22 -0.36 1.20 0.00 0.00 173.24 174.54 2j3w s PHE 5 N 0.78 2.03 -0.19 3.44 0.40 0.38 -1.77 117.98 123.04 2j3w s PHE 5 Ca -0.06 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2j3w s PHE 5 Cb -0.15 -1.32 0.04 0.00 0.51 0.00 0.00 43.02 42.10 2j3w s PHE 5 CO 0.00 -0.09 -0.10 -0.47 0.70 0.00 0.00 175.22 175.26 2j3w s TYR 6 N -0.36 2.36 -0.09 0.36 6.14 0.17 -0.22 117.35 125.71 2j3w s TYR 6 Ca 0.04 -1.54 0.01 0.00 0.64 0.00 0.00 57.07 56.23 2j3w s TYR 6 Cb -0.10 -1.62 -0.02 0.00 0.42 0.00 0.00 41.96 40.64 2j3w s TYR 6 CO 0.01 -0.73 -0.11 0.12 0.64 0.00 0.00 175.55 175.47 2j3w s PHE 7 N 1.42 2.81 -0.07 4.97 5.36 -0.44 0.35 117.98 132.38 2j3w s PHE 7 Ca -0.01 -0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 55.60 2j3w s PHE 7 Cb -0.16 -1.75 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 2j3w s PHE 7 CO -0.08 0.06 0.18 0.54 -1.46 0.00 0.00 175.22 174.46 2j3w s VAL 8 N -0.28 -0.00 -0.27 3.12 0.11 0.33 -1.24 120.40 122.18 2j3w s VAL 8 Ca 0.03 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 2j3w s VAL 8 Cb -0.13 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2j3w s VAL 8 CO 0.03 0.00 0.10 -0.63 -3.33 0.00 0.00 175.10 171.27 2j3w s ILE 9 N 0.12 4.51 -0.18 7.04 1.01 0.04 -0.07 121.20 133.65 2j3w s ILE 9 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 2j3w s ILE 9 Cb -0.01 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2j3w s ILE 9 CO 0.00 0.27 0.07 -0.69 0.00 0.00 0.00 174.94 174.59 2j3w s VAL 10 N 1.63 4.85 0.87 2.92 1.01 0.71 0.35 120.40 132.74 2j3w s VAL 10 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2j3w s VAL 10 Cb -0.16 -3.19 0.12 0.00 0.00 0.00 0.00 36.38 33.16 2j3w s VAL 10 CO 0.05 0.46 1.19 -0.83 0.00 0.00 0.00 175.10 175.97 2j3w s GLY 11 N 0.33 1.61 0.61 4.51 0.00 0.23 -1.90 107.32 112.71 2j3w s GLY 11 Ca 0.04 -0.71 0.30 0.00 0.00 0.00 0.00 44.72 44.35 2j3w s GLY 11 CO -0.00 -0.15 2.00 0.45 0.00 0.00 0.00 173.10 175.40 2j3w h HIS 12 N -1.30 0.00 -0.97 1.90 3.86 -1.86 -1.02 115.15 115.77 2j3w h HIS 12 Ca -0.47 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.23 2j3w h HIS 12 Cb 1.32 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.49 2j3w h HIS 12 CO 0.03 0.00 0.63 0.72 0.86 0.00 0.00 177.93 180.17 2j3w n HIS 13 N -3.54 2.99 -1.56 2.45 8.25 -1.26 -4.85 115.22 117.69 2j3w n HIS 13 Ca 0.03 -1.91 -0.19 0.00 -0.26 0.00 0.00 57.72 55.39 2j3w n HIS 13 Cb 0.44 -0.95 -0.08 0.00 1.12 0.00 0.00 29.99 30.52 2j3w n HIS 13 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2j3w n ASP 14 N -1.13 -5.40 -4.62 0.41 10.43 -0.39 -4.96 116.55 110.89 2j3w n ASP 14 Ca 0.59 0.48 -0.40 0.00 2.57 0.00 0.00 54.79 58.03 2j3w n ASP 14 Cb 1.59 -4.59 -0.07 0.00 1.84 0.00 0.00 41.12 39.88 2j3w n ASP 14 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2j3w s ASN 15 N -2.77 6.46 -0.05 -2.24 4.22 -1.23 -4.82 114.94 114.51 2j3w s ASN 15 Ca 0.00 0.55 -0.30 0.00 -2.14 0.00 0.00 52.86 50.97 2j3w s ASN 15 Cb 0.00 -2.28 -0.06 0.00 1.28 0.00 0.00 41.25 40.19 2j3w s ASN 15 CO 0.00 -0.27 1.69 -2.16 -2.04 0.00 0.00 177.10 174.32 2j3w s PRO 16 N 2.20 4.17 0.09 3.55 0.04 -1.26 0.74 135.00 144.52 2j3w s PRO 16 Ca 0.22 2.23 0.23 0.00 0.04 0.00 0.00 61.00 63.71 2j3w s PRO 16 Cb -0.16 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.34 2j3w s PRO 16 CO 0.09 -0.87 0.94 0.28 0.04 0.00 0.00 177.00 177.48 2j3w n VAL 17 N 5.51 0.30 -3.60 -0.36 0.31 0.15 -4.85 118.33 115.79 2j3w n VAL 17 Ca 0.18 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 2j3w n VAL 17 Cb 0.43 -0.03 -0.07 0.00 -0.91 0.00 0.00 33.84 33.26 2j3w n VAL 17 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2j3w s PHE 18 N -3.31 -0.62 -0.03 3.52 5.36 -1.17 -0.27 117.98 121.46 2j3w s PHE 18 Ca 0.00 1.38 -0.06 0.00 -0.96 0.00 0.00 56.93 57.29 2j3w s PHE 18 Cb 0.13 0.35 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 2j3w s PHE 18 CO 0.82 -0.39 0.14 -1.21 -1.46 0.00 0.00 175.22 173.12 2j3w s GLU 19 N -0.21 0.32 -0.27 10.12 2.02 -1.26 -0.78 118.70 128.64 2j3w s GLU 19 Ca -0.02 -0.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.64 2j3w s GLU 19 Cb -0.03 0.14 0.07 0.00 0.10 0.00 0.00 34.13 34.41 2j3w s GLU 19 CO 0.01 -0.07 0.72 1.41 0.02 0.00 0.00 175.26 177.36 2j3w s MET 20 N -0.63 0.82 0.06 1.61 1.75 -0.37 -5.01 119.30 117.52 2j3w s MET 20 Ca -0.07 1.02 0.05 0.00 -1.25 0.00 0.00 55.69 55.44 2j3w s MET 20 Cb -0.04 0.38 -0.04 0.00 2.84 0.00 0.00 34.83 37.97 2j3w s MET 20 CO 0.01 -0.10 -0.06 -1.21 -0.65 0.00 0.00 175.02 173.01 2j3w s GLU 21 N 0.51 2.43 -0.41 4.11 2.02 -1.26 -1.33 118.70 124.77 2j3w s GLU 21 Ca -0.01 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2j3w s GLU 21 Cb -0.05 -2.46 0.13 0.00 0.10 0.00 0.00 34.13 31.86 2j3w s GLU 21 CO -0.01 0.56 0.22 -0.06 0.02 0.00 0.00 175.26 175.99 2j3w s PHE 22 N -1.14 1.62 0.03 1.61 0.40 0.69 -5.02 117.98 116.17 2j3w s PHE 22 Ca 0.21 -2.17 0.01 0.00 -0.60 0.00 0.00 56.93 54.37 2j3w s PHE 22 Cb -0.11 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.78 2j3w s PHE 22 CO 0.12 -0.80 -0.05 -0.48 0.70 0.00 0.00 175.22 174.72 2j3w s LEU 23 N 0.61 2.27 0.68 -0.37 0.05 -1.26 -0.47 118.68 120.19 2j3w s LEU 23 Ca 0.17 -0.56 -0.17 0.00 0.05 0.00 0.00 54.13 53.62 2j3w s LEU 23 Cb -0.24 0.02 0.01 0.00 -2.05 0.00 0.00 46.19 43.93 2j3w s LEU 23 CO -0.00 -0.30 1.27 -0.81 -0.55 0.00 0.00 176.35 175.96 2j3w n PRO 24 N 1.41 0.95 -1.42 1.48 -0.04 -1.26 -4.89 135.00 131.21 2j3w n PRO 24 Ca -0.23 0.38 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 2j3w n PRO 24 Cb 0.55 -2.51 0.09 0.00 -0.04 0.00 0.00 33.50 31.59 2j3w n PRO 24 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2j3w n PRO 25 N -2.14 0.64 0.00 0.54 -0.04 -1.26 -2.17 135.00 130.56 2j3w n PRO 25 Ca 0.16 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2j3w n PRO 25 Cb 0.48 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2j3w n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2j3w n GLY 26 N 0.92 2.85 3.57 0.55 0.00 -1.26 -5.25 105.19 106.56 2j3w n GLY 26 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2j3w n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j3w s LYS 27 N 0.00 3.82 0.00 1.61 2.20 -0.92 -5.26 119.74 121.19 2j3w s LYS 27 Ca 0.00 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2j3w s LYS 27 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2j3w s LYS 27 CO 0.00 0.26 0.00 0.54 -0.36 0.00 0.00 175.35 175.79 2j3w n ARG 35 N 3.52 0.00 -0.18 4.03 5.12 -1.26 -5.04 116.66 122.84 2j3w n ARG 35 Ca -0.17 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.73 2j3w n ARG 35 Cb 0.52 -0.09 0.19 0.00 -1.16 0.00 0.00 32.46 31.93 2j3w n ARG 35 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2j3w h HIS 36 N 0.00 0.94 -0.45 -1.55 3.86 -2.06 -3.00 115.15 112.88 2j3w h HIS 36 Ca 0.00 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2j3w h HIS 36 Cb 0.00 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 2j3w h HIS 36 CO 0.00 0.71 0.19 1.25 0.86 0.00 0.00 177.93 180.94 2j3w h LEU 37 N 0.93 0.61 -0.40 2.43 5.85 -2.06 -2.66 115.31 120.01 2j3w h LEU 37 Ca 0.22 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2j3w h LEU 37 Cb 0.15 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.94 2j3w h LEU 37 CO -0.02 0.60 -0.11 0.78 -0.34 0.00 0.00 178.44 179.34 2j3w h ASN 38 N 0.59 -0.39 -0.78 1.25 4.21 -1.96 0.34 115.58 118.82 2j3w h ASN 38 Ca 0.15 0.12 0.14 0.00 1.21 0.00 0.00 56.30 57.93 2j3w h ASN 38 Cb 0.16 0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.57 2j3w h ASN 38 CO -0.02 -0.14 0.52 1.56 -1.29 0.00 0.00 177.43 178.06 2j3w h GLN 39 N -0.01 0.47 0.23 0.81 4.20 -1.46 0.47 115.11 119.82 2j3w h GLN 39 Ca 0.19 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2j3w h GLN 39 Cb 0.30 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2j3w h GLN 39 CO -0.42 0.31 -0.11 0.74 -0.67 0.00 0.00 178.83 178.68 2j3w h PHE 40 N 0.49 -0.28 -0.83 2.96 0.05 -0.32 -2.65 116.94 116.35 2j3w h PHE 40 Ca 0.39 -0.01 0.03 0.00 3.82 0.00 0.00 57.97 62.20 2j3w h PHE 40 Cb 0.80 0.09 -0.05 0.00 2.00 0.00 0.00 35.95 38.80 2j3w h PHE 40 CO -0.00 0.09 0.55 0.82 -0.18 0.00 0.00 178.31 179.59 2j3w h ILE 41 N -0.90 1.14 0.74 -0.55 2.04 -0.14 -1.71 117.51 118.13 2j3w h ILE 41 Ca -0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 2j3w h ILE 41 Cb 0.50 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2j3w h ILE 41 CO 0.05 0.19 -0.35 0.00 0.00 0.00 0.00 178.15 178.03 2j3w h ALA 42 N 1.52 -1.11 -0.82 1.87 0.00 -1.00 -2.42 119.26 117.30 2j3w h ALA 42 Ca 0.33 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.15 2j3w h ALA 42 Cb 0.03 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2j3w h ALA 42 CO -0.10 -1.04 0.42 1.25 0.00 0.00 0.00 179.25 179.78 2j3w h HIS 43 N -1.13 0.73 -0.11 0.00 -0.00 -1.41 -0.91 115.15 112.32 2j3w h HIS 43 Ca -0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 2j3w h HIS 43 Cb 0.76 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.96 2j3w h HIS 43 CO 0.03 0.20 -0.10 0.00 -0.00 0.00 0.00 177.93 178.06 2j3w h ALA 44 N 1.52 1.63 0.00 5.26 0.00 -1.33 -2.10 119.26 124.24 2j3w h ALA 44 Ca 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2j3w h ALA 44 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2j3w h ALA 44 CO -0.34 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.16 2j3w h ALA 45 N 1.74 1.01 -0.49 0.00 0.00 -0.64 -3.26 119.26 117.62 2j3w h ALA 45 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2j3w h ALA 45 Cb 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2j3w h ALA 45 CO 0.02 0.04 0.12 -0.07 0.00 0.00 0.00 179.25 179.36 2j3w h LEU 46 N 0.00 0.05 -1.35 0.00 3.38 -1.23 -0.98 115.31 115.18 2j3w h LEU 46 Ca -0.00 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2j3w h LEU 46 Cb 0.52 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 2j3w h LEU 46 CO 0.00 0.06 0.60 0.44 0.09 0.00 0.00 178.44 179.63 2j3w h ASP 47 N 0.26 0.54 -0.17 -0.43 5.19 -1.74 0.20 116.42 120.29 2j3w h ASP 47 Ca 0.24 0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.64 2j3w h ASP 47 Cb 0.30 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 2j3w h ASP 47 CO -0.30 0.22 -0.17 -0.07 -3.12 0.00 0.00 179.24 175.81 2j3w h LEU 48 N 0.55 0.44 -0.42 1.55 4.07 -1.42 -2.84 115.31 117.23 2j3w h LEU 48 Ca 0.49 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 58.04 2j3w h LEU 48 Cb 1.03 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 2j3w h LEU 48 CO -0.23 0.83 0.11 0.58 -1.08 0.00 0.00 178.44 178.65 2j3w h VAL 49 N 0.06 0.81 -0.84 1.22 2.07 0.09 0.84 116.25 120.51 2j3w h VAL 49 Ca 0.03 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.55 2j3w h VAL 49 Cb 0.70 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2j3w h VAL 49 CO 0.04 0.05 0.48 0.44 0.02 0.00 0.00 177.57 178.60 2j3w h ASP 50 N 0.26 0.70 0.05 0.57 5.19 -0.72 0.25 116.42 122.71 2j3w h ASP 50 Ca 0.20 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2j3w h ASP 50 Cb 0.23 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.65 2j3w h ASP 50 CO -0.24 0.40 -0.02 -0.33 -3.12 0.00 0.00 179.24 175.92 2j3w h GLU 51 N 0.81 -0.07 0.00 3.56 5.08 -1.15 -3.30 114.58 119.51 2j3w h GLU 51 Ca 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2j3w h GLU 51 Cb 0.37 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2j3w h GLU 51 CO -0.25 0.52 -0.18 -0.91 -1.00 0.00 0.00 179.01 177.20 2j3w h ASN 52 N -0.74 0.00 -0.20 1.42 -0.26 -0.71 -3.01 115.58 112.07 2j3w h ASN 52 Ca -0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 2j3w h ASN 52 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 2j3w h ASN 52 CO 0.01 0.18 -0.30 0.00 -1.06 0.00 0.00 177.43 176.25 2j3w h MET 53 N 0.00 0.70 0.00 0.81 -0.00 -0.60 -2.95 114.93 112.89 2j3w h MET 53 Ca -0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 59.70 59.38 2j3w h MET 53 Cb 0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.96 2j3w h MET 53 CO 0.02 0.92 0.00 0.91 -0.00 0.00 0.00 176.91 178.76 2j3w n TRP 54 N -4.08 0.11 -0.58 -0.10 7.02 -1.14 -3.21 117.44 115.46 2j3w n TRP 54 Ca -0.01 0.03 0.10 0.00 -1.02 0.00 0.00 57.50 56.60 2j3w n TRP 54 Cb 0.47 -0.55 0.35 0.00 -2.42 0.00 0.00 31.31 29.17 2j3w n TRP 54 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2j3w n LEU 55 N -1.59 4.62 -3.57 -0.99 4.77 -1.12 -4.93 117.00 114.20 2j3w n LEU 55 Ca 0.07 -2.35 -0.17 0.00 -0.03 0.00 0.00 56.01 53.53 2j3w n LEU 55 Cb 0.35 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 2j3w n LEU 55 CO 0.27 0.85 0.40 -0.55 -1.33 0.00 0.00 177.39 177.04 2j3w s SER 56 N -0.93 -0.65 0.00 -1.43 0.15 -1.20 -5.05 113.70 104.59 2j3w s SER 56 Ca 0.51 0.86 0.21 0.00 0.70 0.00 0.00 55.95 58.23 2j3w s SER 56 Cb 0.32 0.76 0.53 0.00 -1.71 0.00 0.00 66.02 65.92 2j3w s SER 56 CO 0.27 -0.50 1.45 0.59 1.20 0.00 0.00 173.24 176.24 2j3w n ASN 57 N 1.42 3.05 -4.82 5.45 4.13 -1.26 -4.82 115.26 118.40 2j3w n ASN 57 Ca -0.18 -1.95 -0.37 0.00 1.68 0.00 0.00 54.58 53.77 2j3w n ASN 57 Cb 0.56 -0.29 -0.06 0.00 -1.54 0.00 0.00 39.78 38.45 2j3w n ASN 57 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2j3w s ASN 58 N -1.28 6.97 0.09 6.41 0.01 -1.26 -4.98 114.94 120.89 2j3w s ASN 58 Ca 0.38 1.24 -0.14 0.00 -0.71 0.00 0.00 52.86 53.63 2j3w s ASN 58 Cb 0.21 -2.35 -0.15 0.00 0.41 0.00 0.00 41.25 39.37 2j3w s ASN 58 CO 0.29 0.14 1.30 0.24 -1.51 0.00 0.00 177.10 177.56 2j3w h MET 59 N 3.83 0.74 -6.38 -0.60 2.86 -1.93 -3.42 114.93 110.02 2j3w h MET 59 Ca -0.49 -0.58 -0.58 0.00 -2.06 0.00 0.00 59.70 56.00 2j3w h MET 59 Cb 1.20 0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.89 2j3w h MET 59 CO 0.65 1.19 0.78 -0.47 1.06 0.00 0.00 176.91 180.12 2j3w s TYR 60 N -3.80 2.97 -2.32 -0.22 5.04 -1.26 -0.42 117.35 117.34 2j3w s TYR 60 Ca -0.11 0.79 0.21 0.00 -2.44 0.00 0.00 57.07 55.51 2j3w s TYR 60 Cb 0.08 -4.00 0.58 0.00 0.35 0.00 0.00 41.96 38.97 2j3w s TYR 60 CO 0.88 -1.02 1.47 1.28 -1.34 0.00 0.00 175.55 176.82 2j3w n LEU 61 N 7.26 2.41 0.00 6.97 4.77 0.33 -5.00 117.00 133.73 2j3w n LEU 61 Ca 0.10 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2j3w n LEU 61 Cb 0.48 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2j3w n LEU 61 CO 0.64 0.52 0.00 0.29 -1.33 0.00 0.00 177.39 177.52 2j3w n LYS 62 N 0.81 0.00 -2.45 3.23 5.02 -1.24 -4.38 118.16 119.16 2j3w n LYS 62 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.04 2j3w n LYS 62 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.42 2j3w n LYS 62 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2j3w s THR 63 N 0.00 4.15 -0.01 -0.18 -4.23 -1.26 -2.41 115.64 111.69 2j3w s THR 63 Ca 0.00 1.52 0.06 0.00 -1.18 0.00 0.00 61.69 62.09 2j3w s THR 63 Cb 0.00 -3.98 -0.09 0.00 1.34 0.00 0.00 72.50 69.77 2j3w s THR 63 CO 0.00 0.08 0.12 1.33 -0.54 0.00 0.00 174.62 175.61 2j3w n VAL 64 N 4.15 0.03 -3.95 2.29 0.24 -0.24 -5.00 118.33 115.85 2j3w n VAL 64 Ca 0.09 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 2j3w n VAL 64 Cb 0.47 0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 33.09 2j3w n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2j3w s ASP 65 N -2.75 0.10 -0.30 -1.34 2.15 -1.18 -5.00 116.67 108.35 2j3w s ASP 65 Ca -0.02 -1.03 -0.05 0.00 0.43 0.00 0.00 52.55 51.88 2j3w s ASP 65 Cb 0.04 0.69 0.17 0.00 -0.30 0.00 0.00 42.92 43.52 2j3w s ASP 65 CO 0.24 -1.34 0.64 -0.75 -0.17 0.00 0.00 175.17 173.80 2j3w s LYS 66 N -3.41 0.55 -0.43 4.34 2.20 -1.26 -1.24 119.74 120.49 2j3w s LYS 66 Ca 0.20 1.13 -0.10 0.00 -0.36 0.00 0.00 55.97 56.84 2j3w s LYS 66 Cb -0.03 0.65 0.08 0.00 -1.51 0.00 0.00 37.83 37.03 2j3w s LYS 66 CO 0.11 -0.45 0.29 0.12 -0.36 0.00 0.00 175.35 175.07 2j3w s PHE 67 N 2.87 3.33 0.00 4.03 5.36 -0.32 -4.96 117.98 128.29 2j3w s PHE 67 Ca 0.10 -1.47 0.00 0.00 -0.96 0.00 0.00 56.93 54.61 2j3w s PHE 67 Cb -0.14 -3.07 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 2j3w s PHE 67 CO -0.20 -0.86 0.00 0.09 -1.46 0.00 0.00 175.22 172.79 2j3w n ASN 68 N 4.97 0.00 0.20 6.13 3.02 -1.26 -1.34 115.26 126.98 2j3w n ASN 68 Ca -0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.57 2j3w n ASN 68 Cb 0.43 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.79 2j3w n ASN 68 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2j3w h GLU 69 N 0.00 0.00 -6.24 3.52 4.11 -1.96 -3.45 114.58 110.57 2j3w h GLU 69 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 2j3w h GLU 69 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 2j3w h GLU 69 CO 0.00 0.00 0.80 -1.58 0.07 0.00 0.00 179.01 178.30 2j3w s TRP 70 N -3.20 2.66 0.54 2.06 0.52 -0.45 -4.61 118.94 116.46 2j3w s TRP 70 Ca 0.07 0.18 -0.18 0.00 0.02 0.00 0.00 56.10 56.19 2j3w s TRP 70 Cb 0.06 -4.34 -0.06 0.00 -1.15 0.00 0.00 33.47 27.98 2j3w s TRP 70 CO 0.67 -1.53 1.05 -0.06 0.02 0.00 0.00 176.95 177.09 2j3w s PHE 71 N 4.57 3.02 -0.21 -1.98 0.40 0.47 -1.17 117.98 123.08 2j3w s PHE 71 Ca 0.37 1.54 0.01 0.00 -0.60 0.00 0.00 56.93 58.24 2j3w s PHE 71 Cb -0.10 -3.02 0.05 0.00 0.51 0.00 0.00 43.02 40.46 2j3w s PHE 71 CO 0.22 -0.95 -0.07 0.08 0.70 0.00 0.00 175.22 175.19 2j3w s VAL 72 N -2.26 1.53 0.10 -0.44 1.01 -0.37 -1.08 120.40 118.89 2j3w s VAL 72 Ca 0.65 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2j3w s VAL 72 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2j3w s VAL 72 CO 0.29 0.02 0.03 -0.44 0.00 0.00 0.00 175.10 175.00 2j3w s SER 73 N 1.42 5.15 0.06 3.32 0.01 0.06 -1.08 113.70 122.64 2j3w s SER 73 Ca -0.04 -0.16 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2j3w s SER 73 Cb -0.18 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 2j3w s SER 73 CO -0.07 0.16 -0.05 0.00 0.41 0.00 0.00 173.24 173.69 2j3w s ALA 74 N -1.40 0.60 -0.05 1.44 0.00 -1.01 -0.95 121.76 120.39 2j3w s ALA 74 Ca 0.27 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2j3w s ALA 74 Cb -0.11 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2j3w s ALA 74 CO 0.20 -0.21 0.08 0.12 0.00 0.00 0.00 175.76 175.95 2j3w s PHE 75 N -2.77 -0.01 -0.28 0.00 5.36 -0.36 -0.52 117.98 119.40 2j3w s PHE 75 Ca 0.00 0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 56.24 2j3w s PHE 75 Cb -0.00 -0.37 -0.00 0.00 -0.34 0.00 0.00 43.02 42.31 2j3w s PHE 75 CO -0.04 -0.19 0.07 0.08 -1.46 0.00 0.00 175.22 173.67 2j3w s VAL 76 N 1.97 4.00 1.04 3.12 1.01 0.44 0.50 120.40 132.48 2j3w s VAL 76 Ca 0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 2j3w s VAL 76 Cb -0.12 -3.00 0.21 0.00 0.00 0.00 0.00 36.38 33.47 2j3w s VAL 76 CO -0.04 0.16 1.11 0.42 0.00 0.00 0.00 175.10 176.76 2j3w s THR 77 N 1.52 1.90 0.27 3.92 -4.23 -0.52 -4.46 115.64 114.05 2j3w s THR 77 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 2j3w s THR 77 Cb -0.16 -2.54 0.27 0.00 1.34 0.00 0.00 72.50 71.40 2j3w s THR 77 CO 0.02 0.00 1.92 0.00 -0.54 0.00 0.00 174.62 176.02 2j3w h ALA 78 N -2.03 1.38 -0.46 3.99 0.00 -1.99 -1.25 119.26 118.90 2j3w h ALA 78 Ca -0.52 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 2j3w h ALA 78 Cb 1.32 -0.34 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 2j3w h ALA 78 CO 0.52 0.52 0.25 0.41 0.00 0.00 0.00 179.25 180.94 2j3w n GLY 79 N -1.38 3.02 2.98 0.00 0.00 -1.26 -4.90 105.19 103.65 2j3w n GLY 79 Ca 0.13 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 2j3w n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2j3w n HIS 80 N -0.17 -1.70 -2.69 1.61 -0.00 -0.47 -4.98 115.22 106.83 2j3w n HIS 80 Ca 0.27 0.33 -0.39 0.00 -0.00 0.00 0.00 57.72 57.93 2j3w n HIS 80 Cb 1.02 -3.34 -0.06 0.00 -0.00 0.00 0.00 29.99 27.61 2j3w n HIS 80 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2j3w s MET 81 N -5.62 4.66 -0.34 -0.41 1.00 -1.26 -4.75 119.30 112.57 2j3w s MET 81 Ca 0.25 1.50 -0.09 0.00 0.00 0.00 0.00 55.69 57.35 2j3w s MET 81 Cb -0.12 -3.03 0.02 0.00 0.00 0.00 0.00 34.83 31.70 2j3w s MET 81 CO 0.31 0.32 0.15 1.03 0.00 0.00 0.00 175.02 176.82 2j3w s ARG 82 N -1.65 2.86 -0.33 2.03 0.52 -0.80 -1.43 118.95 120.16 2j3w s ARG 82 Ca 0.46 -1.04 -0.23 0.00 -0.52 0.00 0.00 55.73 54.41 2j3w s ARG 82 Cb -0.24 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.66 2j3w s ARG 82 CO 0.31 -0.62 0.76 -0.06 0.02 0.00 0.00 175.30 175.71 2j3w s PHE 83 N 1.50 3.17 -0.11 -0.53 2.99 0.18 -0.21 117.98 124.98 2j3w s PHE 83 Ca 0.01 0.69 -0.00 0.00 0.00 0.00 0.00 56.93 57.63 2j3w s PHE 83 Cb -0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 43.02 39.56 2j3w s PHE 83 CO 0.05 -0.61 -0.10 0.42 -0.00 0.00 0.00 175.22 174.98 2j3w s ILE 84 N 2.96 3.39 -0.09 0.64 -1.09 0.89 -1.22 121.20 126.68 2j3w s ILE 84 Ca 0.31 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 2j3w s ILE 84 Cb -0.14 -2.41 0.03 0.00 -1.58 0.00 0.00 42.46 38.36 2j3w s ILE 84 CO 0.14 0.55 -0.02 -0.32 -1.23 0.00 0.00 174.94 174.06 2j3w s MET 85 N -0.11 0.88 -0.38 2.79 -2.45 -0.13 -0.51 119.30 119.39 2j3w s MET 85 Ca -0.00 -0.01 -0.17 0.00 -1.25 0.00 0.00 55.69 54.26 2j3w s MET 85 Cb -0.13 -1.18 0.00 0.00 1.25 0.00 0.00 34.83 34.77 2j3w s MET 85 CO 0.03 -0.30 0.42 -0.51 1.05 0.00 0.00 175.02 175.71 2j3w s LEU 86 N 1.89 4.59 0.03 4.11 1.43 0.15 -0.76 118.68 130.13 2j3w s LEU 86 Ca 0.05 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 2j3w s LEU 86 Cb -0.12 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 2j3w s LEU 86 CO -0.06 -0.46 -0.21 -1.38 0.23 0.00 0.00 176.35 174.47 2j3w s HIS 87 N 2.13 1.83 0.17 0.29 -3.43 -0.24 -0.65 115.29 115.38 2j3w s HIS 87 Ca 0.13 -0.37 0.08 0.00 -0.80 0.00 0.00 55.06 54.10 2j3w s HIS 87 Cb -0.17 -1.10 -0.01 0.00 -1.43 0.00 0.00 32.58 29.87 2j3w s HIS 87 CO 0.13 0.07 1.40 0.22 -2.00 0.00 0.00 174.74 174.55 2j3w h ASP 88 N 5.01 0.00 -4.33 7.38 1.82 -1.60 0.14 116.42 124.83 2j3w h ASP 88 Ca -0.42 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 55.66 2j3w h ASP 88 Cb 1.16 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 40.89 2j3w h ASP 88 CO 0.45 0.86 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.41 2j3w s VAL 89 N -3.02 1.52 -0.86 2.25 1.01 -1.26 -4.87 120.40 115.17 2j3w s VAL 89 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 2j3w s VAL 89 Cb 0.11 -1.29 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 2j3w s VAL 89 CO 0.80 0.31 2.08 -0.60 0.00 0.00 0.00 175.10 177.69 2j3w s ARG 90 N -0.77 2.27 -0.74 2.72 3.52 -1.26 -4.83 118.95 119.87 2j3w s ARG 90 Ca 0.07 -0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2j3w s ARG 90 Cb -0.08 -4.96 0.35 0.00 -1.56 0.00 0.00 34.95 28.71 2j3w s ARG 90 CO 0.00 -3.67 1.46 0.94 -0.81 0.00 0.00 175.30 173.22 2j3w n GLN 91 N 8.86 3.84 -0.23 5.12 -0.06 -1.26 -4.91 117.38 128.73 2j3w n GLN 91 Ca 0.41 -4.47 -0.00 0.00 -2.00 0.00 0.00 57.00 50.94 2j3w n GLN 91 Cb 0.46 -2.32 0.06 0.00 -4.06 0.00 0.00 30.24 24.39 2j3w n GLN 91 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 2j3w h GLU 92 N 3.27 -0.03 0.11 3.69 4.81 -1.99 0.12 114.58 124.56 2j3w h GLU 92 Ca 0.37 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.34 2j3w h GLU 92 Cb 0.44 0.01 0.03 0.00 0.63 0.00 0.00 28.75 29.85 2j3w h GLU 92 CO 1.05 -0.02 -1.12 -0.44 -0.73 0.00 0.00 179.01 177.76 2j3w h ASP 93 N -0.03 0.79 -0.26 1.04 3.45 -1.98 -2.27 116.42 117.16 2j3w h ASP 93 Ca 0.32 -0.83 0.02 0.00 0.43 0.00 0.00 57.03 56.96 2j3w h ASP 93 Cb 0.52 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 39.01 2j3w h ASP 93 CO -0.71 1.54 0.13 1.23 -1.57 0.00 0.00 179.24 179.86 2j3w h GLY 94 N 0.14 0.34 1.01 2.75 0.00 -1.71 -1.61 103.07 104.01 2j3w h GLY 94 Ca -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2j3w h GLY 94 CO 0.21 0.07 0.34 -2.22 0.00 0.00 0.00 176.54 174.95 2j3w h ILE 95 N 0.27 1.24 -0.30 2.60 2.04 -0.87 0.63 117.51 123.11 2j3w h ILE 95 Ca 0.11 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.31 2j3w h ILE 95 Cb 0.03 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2j3w h ILE 95 CO -0.08 0.28 0.19 0.50 0.00 0.00 0.00 178.15 179.04 2j3w h LYS 96 N 1.00 0.38 -0.23 2.37 3.64 -1.02 -0.22 116.57 122.48 2j3w h LYS 96 Ca 0.24 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2j3w h LYS 96 Cb 0.13 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2j3w h LYS 96 CO -0.03 0.25 -0.45 -0.91 -2.27 0.00 0.00 179.45 176.04 2j3w h ASN 97 N 0.39 0.64 0.07 4.20 2.35 -1.17 -1.74 115.58 120.32 2j3w h ASN 97 Ca 0.11 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2j3w h ASN 97 Cb -0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2j3w h ASN 97 CO -0.03 1.00 -0.14 0.15 -1.65 0.00 0.00 177.43 176.76 2j3w h PHE 98 N 0.48 -0.35 -0.29 1.19 3.57 -0.61 -1.23 116.94 119.70 2j3w h PHE 98 Ca 0.03 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2j3w h PHE 98 Cb 0.98 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 2j3w h PHE 98 CO 0.04 -0.20 -0.17 0.74 -2.23 0.00 0.00 178.31 176.49 2j3w h PHE 99 N -0.26 -0.43 -0.01 0.41 0.05 -0.85 -0.47 116.94 115.38 2j3w h PHE 99 Ca 0.03 0.04 -0.09 0.00 3.82 0.00 0.00 57.97 61.76 2j3w h PHE 99 Cb 0.29 0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.46 2j3w h PHE 99 CO -0.16 -0.25 -0.41 1.79 -0.18 0.00 0.00 178.31 179.10 2j3w h THR 100 N -0.14 1.30 -0.24 -1.55 1.35 -1.24 0.25 112.91 112.65 2j3w h THR 100 Ca 0.16 -1.43 -0.18 0.00 -0.55 0.00 0.00 66.41 64.41 2j3w h THR 100 Cb 0.37 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2j3w h THR 100 CO -0.38 0.41 -0.54 0.44 -0.25 0.00 0.00 175.52 175.20 2j3w h ASP 101 N 0.02 0.89 -0.04 5.36 3.32 -0.76 -2.37 116.42 122.84 2j3w h ASP 101 Ca -0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 57.03 56.36 2j3w h ASP 101 Cb 0.74 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2j3w h ASP 101 CO 0.05 1.28 -0.41 0.58 -1.72 0.00 0.00 179.24 179.03 2j3w h VAL 102 N 0.53 1.30 -0.79 -1.35 2.07 -0.85 -2.26 116.25 114.91 2j3w h VAL 102 Ca -0.00 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 65.98 2j3w h VAL 102 Cb 1.16 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2j3w h VAL 102 CO 0.12 0.50 0.49 0.22 0.02 0.00 0.00 177.57 178.92 2j3w h TYR 103 N 0.46 0.91 -0.30 1.57 3.20 -0.48 0.28 116.97 122.61 2j3w h TYR 103 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2j3w h TYR 103 Cb 0.92 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2j3w h TYR 103 CO 0.04 0.48 0.16 -0.44 -1.64 0.00 0.00 178.16 176.76 2j3w h ASP 104 N 0.92 0.38 -0.26 -2.11 5.19 -1.21 0.30 116.42 119.64 2j3w h ASP 104 Ca 0.33 -0.10 0.04 0.00 -0.62 0.00 0.00 57.03 56.68 2j3w h ASP 104 Cb 0.11 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 2j3w h ASP 104 CO -0.15 0.37 0.04 0.25 -3.12 0.00 0.00 179.24 176.63 2j3w h LEU 105 N 0.36 -0.01 -0.30 1.55 6.46 -0.77 -2.10 115.31 120.50 2j3w h LEU 105 Ca 0.11 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 2j3w h LEU 105 Cb 0.08 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 2j3w h LEU 105 CO -0.02 0.03 0.07 0.22 -0.62 0.00 0.00 178.44 178.12 2j3w h TYR 106 N 0.13 0.11 -0.52 1.25 3.20 -0.19 -0.93 116.97 120.03 2j3w h TYR 106 Ca 0.12 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.07 2j3w h TYR 106 Cb 0.13 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 2j3w h TYR 106 CO -0.17 0.03 0.20 0.82 -1.64 0.00 0.00 178.16 177.40 2j3w h ILE 107 N 0.18 0.84 -0.47 1.81 2.04 -0.60 0.38 117.51 121.68 2j3w h ILE 107 Ca 0.14 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2j3w h ILE 107 Cb 0.14 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2j3w h ILE 107 CO -0.18 0.07 0.27 0.11 0.00 0.00 0.00 178.15 178.43 2j3w h LYS 108 N 0.39 0.64 -0.18 2.37 1.57 -1.08 -1.34 116.57 118.94 2j3w h LYS 108 Ca 0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2j3w h LYS 108 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2j3w h LYS 108 CO -0.24 0.48 0.11 0.35 -0.57 0.00 0.00 179.45 179.59 2j3w h PHE 109 N 0.62 0.23 0.00 -1.35 3.57 -0.37 -2.88 116.94 116.76 2j3w h PHE 109 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2j3w h PHE 109 Cb 0.01 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.68 2j3w h PHE 109 CO -0.03 0.16 0.00 0.00 -2.23 0.00 0.00 178.31 176.21 2j3w h ALA 110 N 1.05 1.00 0.00 2.41 0.00 -0.09 -2.82 119.26 120.81 2j3w h ALA 110 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2j3w h ALA 110 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2j3w h ALA 110 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 2j3w n MET 111 N -2.42 0.20 -1.72 0.00 2.81 -0.52 -4.71 117.12 110.76 2j3w n MET 111 Ca 0.02 0.27 -0.43 0.00 -1.81 0.00 0.00 57.70 55.76 2j3w n MET 111 Cb 0.27 -1.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 2j3w n MET 111 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2j3w s ASN 112 N -4.22 5.95 0.58 7.83 2.47 -1.07 -4.83 114.94 121.67 2j3w s ASN 112 Ca 0.09 2.10 0.30 0.00 0.42 0.00 0.00 52.86 55.76 2j3w s ASN 112 Cb 0.12 -2.52 1.40 0.00 -1.45 0.00 0.00 41.25 38.79 2j3w s ASN 112 CO 0.50 -1.53 1.78 1.55 -3.72 0.00 0.00 177.10 175.68 2j3w h PRO 113 N 12.78 0.00 -0.01 0.43 0.13 -1.91 0.25 132.00 143.66 2j3w h PRO 113 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2j3w h PRO 113 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2j3w h PRO 113 CO 0.96 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.92 2j3w n PHE 114 N -3.73 0.01 -3.15 1.56 3.01 -1.26 -4.85 117.46 109.06 2j3w n PHE 114 Ca 0.14 -0.01 -0.39 0.00 1.01 0.00 0.00 57.45 58.21 2j3w n PHE 114 Cb 0.93 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.35 2j3w n PHE 114 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2j3w s TYR 115 N -1.99 3.65 -0.20 1.38 5.04 0.87 -5.05 117.35 121.05 2j3w s TYR 115 Ca 0.36 1.22 -0.25 0.00 -2.44 0.00 0.00 57.07 55.96 2j3w s TYR 115 Cb 0.17 -2.68 -0.01 0.00 0.35 0.00 0.00 41.96 39.79 2j3w s TYR 115 CO 0.28 0.26 0.82 -1.21 -1.34 0.00 0.00 175.55 174.37 2j3w s GLU 116 N 0.13 4.24 0.09 4.97 2.02 -1.26 -4.96 118.70 123.93 2j3w s GLU 116 Ca 0.33 0.97 0.02 0.00 0.02 0.00 0.00 54.97 56.31 2j3w s GLU 116 Cb -0.18 -3.61 0.25 0.00 0.10 0.00 0.00 34.13 30.70 2j3w s GLU 116 CO 0.17 -0.41 0.44 -0.35 0.02 0.00 0.00 175.26 175.13 2j3w n PRO 117 N 5.58 -0.02 -0.64 0.39 -0.04 -1.26 -0.51 135.00 138.50 2j3w n PRO 117 Ca 0.05 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 2j3w n PRO 117 Cb 0.48 -0.67 0.07 0.00 -0.04 0.00 0.00 33.50 33.34 2j3w n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2j3w n ASN 118 N -4.03 1.00 -4.83 3.54 3.02 -1.26 -4.96 115.26 107.74 2j3w n ASN 118 Ca 0.08 -2.51 -0.32 0.00 -0.03 0.00 0.00 54.58 51.80 2j3w n ASN 118 Cb 0.25 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2j3w n ASN 118 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2j3w s SER 119 N -1.97 6.14 0.31 6.41 1.04 0.33 -4.89 113.70 121.07 2j3w s SER 119 Ca 0.20 1.62 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 2j3w s SER 119 Cb 0.20 -2.51 -0.10 0.00 0.10 0.00 0.00 66.02 63.72 2j3w s SER 119 CO -0.04 -0.92 1.32 -2.16 0.98 0.00 0.00 173.24 172.42 2j3w s PRO 120 N -4.41 4.35 -0.57 4.02 0.04 -1.26 -4.86 135.00 132.31 2j3w s PRO 120 Ca 0.59 2.21 -0.25 0.00 0.04 0.00 0.00 61.00 63.59 2j3w s PRO 120 Cb -0.12 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.37 2j3w s PRO 120 CO 0.40 -0.22 1.03 0.42 0.04 0.00 0.00 177.00 178.68 2j3w s ILE 121 N -0.89 4.25 -0.40 0.56 1.01 0.63 -4.99 121.20 121.38 2j3w s ILE 121 Ca 0.51 0.47 -0.03 0.00 0.00 0.00 0.00 60.65 61.60 2j3w s ILE 121 Cb -0.40 -4.61 0.10 0.00 0.01 0.00 0.00 42.46 37.57 2j3w s ILE 121 CO 0.50 -1.21 0.18 -0.13 0.00 0.00 0.00 174.94 174.28 2j3w s ARG 122 N 4.32 2.02 -0.29 2.79 1.81 -1.26 -4.88 118.95 123.45 2j3w s ARG 122 Ca 0.34 -1.77 -0.13 0.00 -1.72 0.00 0.00 55.73 52.45 2j3w s ARG 122 Cb -0.11 -3.54 0.11 0.00 -0.45 0.00 0.00 34.95 30.97 2j3w s ARG 122 CO 0.21 -1.03 0.68 0.45 -0.68 0.00 0.00 175.30 174.93 2j3w s SER 123 N 1.74 -1.05 0.24 0.23 0.15 -1.26 -5.03 113.70 108.72 2j3w s SER 123 Ca 0.07 1.53 -0.06 0.00 0.70 0.00 0.00 55.95 58.19 2j3w s SER 123 Cb -0.22 1.92 0.27 0.00 -1.71 0.00 0.00 66.02 66.28 2j3w s SER 123 CO -0.04 -0.22 1.90 0.28 1.20 0.00 0.00 173.24 176.36 2j3w h SER 124 N 7.57 1.05 -0.63 5.45 0.02 -1.99 -1.48 113.55 123.54 2j3w h SER 124 Ca -0.23 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2j3w h SER 124 Cb 1.15 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 2j3w h SER 124 CO 0.12 0.74 0.23 0.00 -1.14 0.00 0.00 176.83 176.78 2j3w h ALA 125 N 1.37 1.16 0.08 3.77 0.00 -1.99 -1.37 119.26 122.28 2j3w h ALA 125 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2j3w h ALA 125 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2j3w h ALA 125 CO -0.10 0.59 -0.04 0.35 0.00 0.00 0.00 179.25 180.05 2j3w h PHE 126 N 0.96 -0.10 -0.55 0.00 3.57 -1.81 -2.31 116.94 116.71 2j3w h PHE 126 Ca 0.22 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2j3w h PHE 126 Cb 0.24 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 2j3w h PHE 126 CO 0.02 0.25 0.24 -0.44 -2.23 0.00 0.00 178.31 176.15 2j3w h ASP 127 N -0.46 0.29 -0.59 0.41 3.32 -1.19 -0.37 116.42 117.82 2j3w h ASP 127 Ca -0.01 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2j3w h ASP 127 Cb 0.39 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2j3w h ASP 127 CO 0.02 0.19 0.39 -0.09 -1.72 0.00 0.00 179.24 178.03 2j3w h ARG 128 N 0.45 0.77 -0.44 3.56 2.43 -1.28 0.15 114.38 120.02 2j3w h ARG 128 Ca 0.26 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2j3w h ARG 128 Cb 0.24 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2j3w h ARG 128 CO -0.23 0.51 -0.11 0.87 -1.51 0.00 0.00 179.97 179.50 2j3w h LYS 129 N 0.79 0.86 -0.42 0.20 1.57 -0.88 -1.68 116.57 117.02 2j3w h LYS 129 Ca 0.22 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2j3w h LYS 129 Cb -0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2j3w h LYS 129 CO -0.06 0.97 -0.06 0.28 -0.57 0.00 0.00 179.45 180.02 2j3w h VAL 130 N 0.69 1.27 -0.61 0.50 2.07 -0.92 -1.75 116.25 117.49 2j3w h VAL 130 Ca 0.11 -1.13 0.10 0.00 0.82 0.00 0.00 66.70 66.61 2j3w h VAL 130 Cb 0.65 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 2j3w h VAL 130 CO 0.04 0.38 0.21 -0.61 0.02 0.00 0.00 177.57 177.62 2j3w h GLN 131 N 0.60 0.37 0.30 1.57 5.75 -0.59 0.15 115.11 123.27 2j3w h GLN 131 Ca 0.11 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2j3w h GLN 131 Cb 0.57 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2j3w h GLN 131 CO 0.03 0.25 -0.20 0.35 -2.65 0.00 0.00 178.83 176.61 2j3w h PHE 132 N 0.38 -0.53 -0.94 3.99 3.04 -1.09 -2.50 116.94 119.29 2j3w h PHE 132 Ca 0.31 -0.00 0.19 0.00 3.98 0.00 0.00 57.97 62.45 2j3w h PHE 132 Cb 0.41 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 39.03 2j3w h PHE 132 CO -0.18 -0.31 0.60 -0.07 -2.02 0.00 0.00 178.31 176.33 2j3w h LEU 133 N -0.49 0.57 -0.95 0.59 3.38 -0.38 0.43 115.31 118.46 2j3w h LEU 133 Ca -0.03 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2j3w h LEU 133 Cb 0.42 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2j3w h LEU 133 CO 0.02 0.23 0.17 1.23 0.09 0.00 0.00 178.44 180.18 2j3w h GLY 134 N 0.57 1.00 1.31 0.83 0.00 -0.32 -1.05 103.07 105.42 2j3w h GLY 134 Ca 0.50 -0.58 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 2j3w h GLY 134 CO -0.25 0.54 -0.56 0.50 0.00 0.00 0.00 176.54 176.78 2j3w h LYS 135 N 0.90 0.72 0.00 4.80 1.57 -0.55 -1.41 116.57 122.60 2j3w h LYS 135 Ca 0.20 -0.46 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 2j3w h LYS 135 Cb 0.29 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2j3w h LYS 135 CO -0.00 1.08 -0.61 1.57 -0.57 0.00 0.00 179.45 180.92 2j3w h LYS 136 N 0.55 0.00 0.00 3.15 2.10 -1.23 -3.31 116.57 117.83 2j3w h LYS 136 Ca 0.01 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.37 2j3w h LYS 136 Cb 1.14 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.41 2j3w h LYS 136 CO 0.11 0.33 -2.10 0.72 -2.00 0.00 0.00 179.45 176.51 2j3w n HIS 137 N -3.09 0.00 -0.05 0.07 8.25 -0.41 -4.63 115.22 115.36 2j3w n HIS 137 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2j3w n HIS 137 Cb 0.70 -0.77 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 2j3w n HIS 137 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2j3w n LEU 138 N -2.83 1.13 -0.26 2.41 4.77 -0.59 -4.42 117.00 117.20 2j3w n LEU 138 Ca -0.30 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2j3w n LEU 138 Cb 0.94 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2j3w n LEU 138 CO 0.26 -0.41 0.13 0.18 -1.33 0.00 0.00 177.39 176.22 2j3w n LEU 139 N -3.67 0.19 -0.39 2.23 4.77 -0.86 -4.90 117.00 114.36 2j3w n LEU 139 Ca -0.07 -0.09 0.05 0.00 -0.03 0.00 0.00 56.01 55.87 2j3w n LEU 139 Cb 0.25 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.29 2j3w n LEU 139 CO 0.10 0.05 0.40 -1.20 -1.33 0.00 0.00 177.39 175.41