#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4w s SER 2 N 0.00 5.09 0.24 1.61 0.01 -1.26 -4.83 113.70 114.56 1j4w s SER 2 Ca 0.00 2.14 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 1j4w s SER 2 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 1j4w s SER 2 CO 0.00 -1.65 1.18 -2.28 0.41 0.00 0.00 173.24 170.90 1j4w s HIS 3 N -2.09 3.43 -0.15 2.43 2.46 -1.00 -4.79 115.29 115.58 1j4w s HIS 3 Ca 0.70 1.52 -0.00 0.00 0.47 0.00 0.00 55.06 57.75 1j4w s HIS 3 Cb -0.24 -3.42 -0.01 0.00 -0.13 0.00 0.00 32.58 28.79 1j4w s HIS 3 CO 0.38 -1.07 -0.13 -1.64 -2.47 0.00 0.00 174.74 169.80 1j4w s MET 4 N -0.88 3.29 -0.03 2.88 1.00 -1.26 -3.02 119.30 121.28 1j4w s MET 4 Ca 0.49 -0.72 0.01 0.00 0.00 0.00 0.00 55.69 55.48 1j4w s MET 4 Cb -0.33 -2.67 0.01 0.00 0.00 0.00 0.00 34.83 31.84 1j4w s MET 4 CO 0.40 0.05 -0.05 0.96 0.00 0.00 0.00 175.02 176.39 1j4w s ILE 5 N 0.74 0.53 0.40 2.53 -4.36 -0.55 -5.01 121.20 115.49 1j4w s ILE 5 Ca -0.06 -0.18 -0.06 0.00 -0.26 0.00 0.00 60.65 60.10 1j4w s ILE 5 Cb -0.15 -0.52 -0.05 0.00 1.25 0.00 0.00 42.46 42.99 1j4w s ILE 5 CO 0.01 0.20 0.70 1.51 0.24 0.00 0.00 174.94 177.60 1j4w s ASP 6 N 0.55 6.39 -0.09 4.36 1.47 -1.26 -1.29 116.67 126.80 1j4w s ASP 6 Ca -0.07 0.88 -0.03 0.00 1.18 0.00 0.00 52.55 54.50 1j4w s ASP 6 Cb -0.11 -2.22 0.04 0.00 -0.34 0.00 0.00 42.92 40.30 1j4w s ASP 6 CO 0.00 -0.40 0.08 -0.69 0.68 0.00 0.00 175.17 174.85 1j4w s VAL 7 N -2.42 -0.12 0.13 2.11 1.01 0.15 -4.91 120.40 116.34 1j4w s VAL 7 Ca 0.47 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 1j4w s VAL 7 Cb -0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 36.38 35.89 1j4w s VAL 7 CO 0.36 0.02 1.31 -2.16 0.00 0.00 0.00 175.10 174.63 1j4w s PRO 8 N 2.18 4.38 -0.11 2.72 0.04 -1.26 0.43 135.00 143.37 1j4w s PRO 8 Ca 0.04 1.99 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 1j4w s PRO 8 Cb -0.13 -3.25 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1j4w s PRO 8 CO -0.05 -0.32 0.22 0.42 0.04 0.00 0.00 177.00 177.31 1j4w s ILE 9 N 0.74 -0.23 0.43 0.56 1.01 0.25 -4.91 121.20 119.05 1j4w s ILE 9 Ca 0.60 0.25 -0.24 0.00 0.00 0.00 0.00 60.65 61.26 1j4w s ILE 9 Cb -0.35 -0.37 -0.11 0.00 0.01 0.00 0.00 42.46 41.65 1j4w s ILE 9 CO 0.33 0.10 0.92 -2.65 0.00 0.00 0.00 174.94 173.64 1j4w n PRO 10 N 4.89 1.17 -0.37 2.79 -0.02 -1.26 -0.01 135.00 142.20 1j4w n PRO 10 Ca -0.14 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.80 1j4w n PRO 10 Cb 0.51 -1.95 0.19 0.00 -0.02 0.00 0.00 33.50 32.23 1j4w n PRO 10 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1j4w h ARG 11 N 1.34 1.10 0.00 -0.52 9.65 -1.88 0.29 114.38 124.38 1j4w h ARG 11 Ca -0.44 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1j4w h ARG 11 Cb 1.35 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1j4w h ARG 11 CO 0.56 0.73 0.00 1.97 2.80 0.00 0.00 179.97 186.03 1j4w n PHE 12 N -4.52 0.61 0.58 2.20 1.16 -1.26 -2.36 117.46 113.86 1j4w n PHE 12 Ca 0.16 0.25 0.06 0.00 -1.87 0.00 0.00 57.45 56.06 1j4w n PHE 12 Cb 0.22 -0.91 -0.08 0.00 -1.61 0.00 0.00 39.48 37.10 1j4w n PHE 12 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1j4w n ALA 13 N -1.71 3.64 -0.24 1.98 0.00 0.83 -4.51 120.51 120.51 1j4w n ALA 13 Ca 0.02 -0.38 0.08 0.00 0.00 0.00 0.00 53.44 53.16 1j4w n ALA 13 Cb 0.18 -0.49 0.35 0.00 0.00 0.00 0.00 19.45 19.49 1j4w n ALA 13 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1j4w h VAL 14 N 0.00 0.95 -0.01 0.00 3.04 -0.61 0.41 116.25 120.03 1j4w h VAL 14 Ca 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 1j4w h VAL 14 Cb 0.35 0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 29.74 1j4w h VAL 14 CO 0.00 0.14 0.10 1.23 -1.01 0.00 0.00 177.57 178.03 1j4w h GLY 15 N 0.77 0.00 0.94 3.17 0.00 -1.79 -1.96 103.07 104.20 1j4w h GLY 15 Ca 0.38 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.54 1j4w h GLY 15 CO -0.15 0.00 -0.58 1.19 0.00 0.00 0.00 176.54 177.00 1j4w h ILE 16 N 0.00 1.35 -0.09 2.60 6.09 -1.22 0.31 117.51 126.55 1j4w h ILE 16 Ca 0.00 -1.88 -0.04 0.00 -1.37 0.00 0.00 64.86 61.58 1j4w h ILE 16 Cb 0.21 2.17 -0.00 0.00 0.47 0.00 0.00 36.82 39.66 1j4w h ILE 16 CO -0.00 0.57 -0.10 0.58 -3.07 0.00 0.00 178.15 176.13 1j4w h VAL 17 N 0.21 1.38 -0.11 2.19 2.07 -1.47 -3.26 116.25 117.26 1j4w h VAL 17 Ca -0.04 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1j4w h VAL 17 Cb 1.22 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1j4w h VAL 17 CO 0.12 0.37 -0.00 0.40 0.02 0.00 0.00 177.57 178.47 1j4w h ILE 18 N -0.21 1.26 0.00 4.57 2.04 -1.53 -3.04 117.51 120.60 1j4w h ILE 18 Ca 0.01 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1j4w h ILE 18 Cb 0.64 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1j4w h ILE 18 CO 0.02 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.02 1j4w n GLY 19 N -0.25 -2.22 3.74 5.37 0.00 0.11 -2.26 105.19 109.68 1j4w n GLY 19 Ca -0.06 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1j4w n GLY 19 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j4w s ARG 20 N -2.80 4.60 0.00 1.61 3.52 -1.26 -2.52 118.95 122.10 1j4w s ARG 20 Ca 0.00 1.72 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1j4w s ARG 20 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 1j4w s ARG 20 CO 0.00 0.09 0.00 0.09 -0.81 0.00 0.00 175.30 174.67 1j4w n ASN 21 N 2.29 -4.07 0.00 -2.12 5.03 -1.26 -1.17 115.26 113.96 1j4w n ASN 21 Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1j4w n ASN 21 Cb 0.46 -3.06 0.00 0.00 -1.02 0.00 0.00 39.78 36.16 1j4w n ASN 21 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4w n GLY 22 N -0.05 0.44 0.37 7.41 0.00 -1.05 -4.92 105.19 107.39 1j4w n GLY 22 Ca 0.00 -0.70 0.11 0.00 0.00 0.00 0.00 46.02 45.44 1j4w n GLY 22 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j4w h GLU 23 N 0.38 0.59 0.17 1.61 5.08 -1.29 0.41 114.58 121.53 1j4w h GLU 23 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1j4w h GLU 23 Cb 0.00 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1j4w h GLU 23 CO 0.00 0.39 -0.08 0.52 -1.00 0.00 0.00 179.01 178.84 1j4w h MET 24 N 0.61 -0.22 -0.18 2.33 2.86 -1.81 -2.00 114.93 116.52 1j4w h MET 24 Ca 0.37 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.04 1j4w h MET 24 Cb 0.59 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1j4w h MET 24 CO -0.14 -0.05 0.05 0.97 1.06 0.00 0.00 176.91 178.81 1j4w h ILE 25 N -1.04 0.94 -0.49 -1.22 2.10 -1.27 0.57 117.51 117.11 1j4w h ILE 25 Ca -0.02 -0.05 -0.00 0.00 1.08 0.00 0.00 64.86 65.87 1j4w h ILE 25 Cb 0.28 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 36.78 1j4w h ILE 25 CO 0.04 0.02 0.30 0.11 -1.08 0.00 0.00 178.15 177.55 1j4w h LYS 26 N 0.14 0.66 0.20 2.19 1.57 -0.33 1.57 116.57 122.56 1j4w h LYS 26 Ca 0.08 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1j4w h LYS 26 Cb 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1j4w h LYS 26 CO -0.09 0.46 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.94 1j4w h LYS 27 N 0.65 -0.26 -0.74 3.15 3.64 -0.90 0.45 116.57 122.57 1j4w h LYS 27 Ca 0.18 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1j4w h LYS 27 Cb -0.03 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1j4w h LYS 27 CO -0.03 0.01 0.30 0.82 -2.27 0.00 0.00 179.45 178.28 1j4w h ILE 28 N -0.52 1.25 -0.49 2.00 2.04 0.28 0.55 117.51 122.62 1j4w h ILE 28 Ca -0.03 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.10 1j4w h ILE 28 Cb 0.39 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 1j4w h ILE 28 CO 0.05 0.32 0.20 -0.61 0.00 0.00 0.00 178.15 178.11 1j4w h GLN 29 N 1.06 0.39 -0.20 2.37 4.15 0.24 1.41 115.11 124.53 1j4w h GLN 29 Ca 0.25 -0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.49 1j4w h GLN 29 Cb 0.21 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1j4w h GLN 29 CO -0.02 0.26 -0.49 -0.97 -1.93 0.00 0.00 178.83 175.68 1j4w h ASN 30 N 0.40 0.78 -0.41 -0.69 -1.24 -0.27 2.70 115.58 116.85 1j4w h ASN 30 Ca 0.23 -0.57 -0.10 0.00 0.71 0.00 0.00 56.30 56.57 1j4w h ASN 30 Cb 0.20 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1j4w h ASN 30 CO -0.20 1.20 -0.14 -0.78 -1.29 0.00 0.00 177.43 176.22 1j4w h ASP 31 N 0.39 0.83 0.00 1.15 3.58 0.70 -3.32 116.42 119.74 1j4w h ASP 31 Ca -0.00 -0.38 -0.16 0.00 0.42 0.00 0.00 57.03 56.90 1j4w h ASP 31 Cb 1.10 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 1j4w h ASP 31 CO 0.11 1.02 -2.09 0.00 -2.88 0.00 0.00 179.24 175.40 1j4w n ALA 32 N -2.47 2.17 -2.16 -0.78 0.00 0.48 -5.03 120.51 112.72 1j4w n ALA 32 Ca -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 1j4w n ALA 32 Cb 0.39 -0.43 0.02 0.00 0.00 0.00 0.00 19.45 19.43 1j4w n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j4w n GLY 33 N 1.59 0.31 3.14 0.00 0.00 0.90 -4.91 105.19 106.22 1j4w n GLY 33 Ca -0.16 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1j4w n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j4w s VAL 34 N -3.10 0.65 -0.15 1.61 -7.23 -1.19 -4.71 120.40 106.29 1j4w s VAL 34 Ca 0.06 -1.70 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1j4w s VAL 34 Cb -0.01 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 1j4w s VAL 34 CO 0.19 -0.74 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.51 1j4w s ARG 35 N -3.21 3.30 -0.22 4.82 3.52 -1.10 -4.59 118.95 121.47 1j4w s ARG 35 Ca 0.06 -0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1j4w s ARG 35 Cb 0.01 -2.67 -0.03 0.00 -1.56 0.00 0.00 34.95 30.70 1j4w s ARG 35 CO -0.03 0.06 0.04 0.42 -0.81 0.00 0.00 175.30 174.98 1j4w s ILE 36 N 0.72 4.25 -0.25 4.11 1.01 -1.26 -2.60 121.20 127.19 1j4w s ILE 36 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1j4w s ILE 36 Cb -0.15 -2.95 0.04 0.00 0.01 0.00 0.00 42.46 39.40 1j4w s ILE 36 CO 0.02 0.39 -0.09 -1.58 0.00 0.00 0.00 174.94 173.68 1j4w s GLN 37 N 1.17 2.63 0.23 2.79 2.00 0.44 -4.93 119.66 124.00 1j4w s GLN 37 Ca 0.04 -1.10 -0.29 0.00 -2.00 0.00 0.00 55.36 52.01 1j4w s GLN 37 Cb -0.14 -2.91 -0.09 0.00 0.80 0.00 0.00 33.01 30.67 1j4w s GLN 37 CO 0.03 -0.45 0.90 -0.06 -0.50 0.00 0.00 175.29 175.21 1j4w s PHE 38 N 1.24 3.94 0.11 1.67 0.08 -1.26 -0.42 117.98 123.35 1j4w s PHE 38 Ca -0.02 1.84 0.08 0.00 0.12 0.00 0.00 56.93 58.94 1j4w s PHE 38 Cb -0.17 -2.93 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 1j4w s PHE 38 CO -0.06 0.45 -0.19 -1.59 -0.10 0.00 0.00 175.22 173.73 1j4w s LYS 39 N -1.26 1.10 0.91 0.44 -2.85 -0.50 -4.91 119.74 112.67 1j4w s LYS 39 Ca 0.41 -1.19 -0.16 0.00 -1.00 0.00 0.00 55.97 54.02 1j4w s LYS 39 Cb -0.25 -1.25 -0.14 0.00 -2.06 0.00 0.00 37.83 34.13 1j4w s LYS 39 CO 0.30 0.28 -0.80 -2.30 0.10 0.00 0.00 175.35 172.93 1j4w n PRO 40 N 0.90 0.00 -2.48 1.78 -0.02 -1.26 -2.99 135.00 130.94 1j4w n PRO 40 Ca -0.18 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.89 1j4w n PRO 40 Cb 0.55 -0.91 -0.03 0.00 -0.02 0.00 0.00 33.50 33.09 1j4w n PRO 40 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1j4w s ASP 41 N -0.91 6.16 -0.20 2.55 -4.77 -1.26 -4.14 116.67 114.10 1j4w s ASP 41 Ca 0.36 -0.05 -0.23 0.00 -3.30 0.00 0.00 52.55 49.34 1j4w s ASP 41 Cb -0.14 -2.55 -0.02 0.00 -1.09 0.00 0.00 42.92 39.12 1j4w s ASP 41 CO 0.74 -1.75 0.72 -1.81 0.70 0.00 0.00 175.17 173.77 1j4w s ASP 42 N 4.04 6.77 0.00 2.11 1.01 -1.26 -3.84 116.67 125.49 1j4w s ASP 42 Ca 0.44 0.94 0.00 0.00 0.71 0.00 0.00 52.55 54.65 1j4w s ASP 42 Cb -0.09 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1j4w s ASP 42 CO 0.21 -0.36 0.00 0.61 0.21 0.00 0.00 175.17 175.84 1j4w n GLY 43 N 3.74 1.38 4.96 0.21 0.00 -1.26 -4.67 105.19 109.55 1j4w n GLY 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1j4w n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j4w n THR 44 N 0.00 0.00 -2.11 2.61 -2.24 -1.25 -4.90 114.28 106.38 1j4w n THR 44 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1j4w n THR 44 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1j4w n THR 44 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1j4w s THR 45 N -0.78 2.78 0.00 4.28 -4.23 -1.26 -4.88 115.64 111.54 1j4w s THR 45 Ca 0.00 0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 61.08 1j4w s THR 45 Cb 0.00 -3.33 -0.24 0.00 1.34 0.00 0.00 72.50 70.27 1j4w s THR 45 CO 0.00 0.03 3.27 -0.81 -0.54 0.00 0.00 174.62 176.57 1j4w n PRO 46 N -0.35 1.77 -3.86 3.99 -0.04 -1.26 -4.77 135.00 130.47 1j4w n PRO 46 Ca 0.06 -0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 62.52 1j4w n PRO 46 Cb 0.46 -1.94 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1j4w n PRO 46 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1j4w s GLU 47 N 1.23 0.01 0.13 0.54 -1.05 -1.26 -3.48 118.70 114.83 1j4w s GLU 47 Ca 0.59 0.02 -0.24 0.00 -0.15 0.00 0.00 54.97 55.19 1j4w s GLU 47 Cb 0.28 0.00 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 1j4w s GLU 47 CO 0.00 -0.01 0.73 1.03 0.95 0.00 0.00 175.26 177.97 1j4w s ARG 48 N 0.03 4.49 -0.09 -4.83 0.52 0.99 -4.16 118.95 115.89 1j4w s ARG 48 Ca -0.00 1.06 -0.19 0.00 -0.52 0.00 0.00 55.73 56.08 1j4w s ARG 48 Cb -0.00 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1j4w s ARG 48 CO -0.00 0.55 0.53 0.42 0.02 0.00 0.00 175.30 176.82 1j4w s ILE 49 N -1.02 5.13 -0.25 1.52 1.01 -1.16 -0.58 121.20 125.85 1j4w s ILE 49 Ca 0.35 1.07 -0.12 0.00 0.00 0.00 0.00 60.65 61.95 1j4w s ILE 49 Cb -0.22 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1j4w s ILE 49 CO 0.24 0.33 0.22 0.00 0.00 0.00 0.00 174.94 175.73 1j4w s ALA 50 N 0.52 3.58 -0.47 9.38 0.00 0.17 -1.41 121.76 133.53 1j4w s ALA 50 Ca 0.29 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1j4w s ALA 50 Cb -0.16 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.57 1j4w s ALA 50 CO 0.13 -0.33 0.50 -1.14 0.00 0.00 0.00 175.76 174.91 1j4w s GLN 51 N 1.34 3.08 -0.01 0.00 0.74 0.44 0.33 119.66 125.58 1j4w s GLN 51 Ca 0.10 -0.95 -0.01 0.00 0.05 0.00 0.00 55.36 54.55 1j4w s GLN 51 Cb -0.14 -4.06 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1j4w s GLN 51 CO 0.07 -1.03 0.10 0.42 -0.55 0.00 0.00 175.29 174.30 1j4w s ILE 52 N 2.20 4.87 0.02 -2.34 1.01 -0.41 -0.42 121.20 126.14 1j4w s ILE 52 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.37 1j4w s ILE 52 Cb -0.20 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 1j4w s ILE 52 CO 0.11 0.35 0.04 0.42 0.00 0.00 0.00 174.94 175.86 1j4w s THR 53 N -1.22 0.12 0.00 2.92 -4.23 -1.07 -1.48 115.64 110.68 1j4w s THR 53 Ca 0.24 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1j4w s THR 53 Cb -0.12 -0.53 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1j4w s THR 53 CO 0.15 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1j4w n GLY 54 N 1.27 1.30 3.39 3.99 0.00 -1.17 -2.72 105.19 111.27 1j4w n GLY 54 Ca -0.22 -0.94 -0.47 0.00 0.00 0.00 0.00 46.02 44.39 1j4w n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4w n PRO 55 N -0.51 0.02 -0.49 1.61 -0.02 -1.26 -2.36 135.00 131.98 1j4w n PRO 55 Ca 0.00 0.01 0.40 0.00 -2.02 0.00 0.00 63.50 61.89 1j4w n PRO 55 Cb 0.00 -1.01 0.71 0.00 -0.02 0.00 0.00 33.50 33.18 1j4w n PRO 55 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j4w h PRO 56 N 0.95 0.07 0.09 0.52 0.11 -1.88 0.49 132.00 132.35 1j4w h PRO 56 Ca -0.29 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 1j4w h PRO 56 Cb 1.44 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.53 1j4w h PRO 56 CO 0.56 0.05 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.91 1j4w h ASP 57 N 0.07 -0.10 0.07 -2.05 3.32 -1.99 -3.18 116.42 112.56 1j4w h ASP 57 Ca 0.78 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 57.45 1j4w h ASP 57 Cb 2.77 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 42.34 1j4w h ASP 57 CO -0.21 0.54 -0.08 0.03 -1.72 0.00 0.00 179.24 177.80 1j4w h ARG 58 N -0.96 0.03 -0.51 3.56 2.47 -1.33 -1.93 114.38 115.70 1j4w h ARG 58 Ca -0.01 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1j4w h ARG 58 Cb 0.46 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1j4w h ARG 58 CO 0.02 0.12 0.20 0.00 0.56 0.00 0.00 179.97 180.86 1j4w h ALA 59 N 1.89 0.67 0.30 0.04 0.00 -0.20 0.27 119.26 122.22 1j4w h ALA 59 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j4w h ALA 59 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1j4w h ALA 59 CO 0.01 0.29 -0.14 1.96 0.00 0.00 0.00 179.25 181.37 1j4w h GLN 60 N 0.69 -0.38 -0.90 0.00 4.20 -1.39 -2.71 115.11 114.63 1j4w h GLN 60 Ca 0.17 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1j4w h GLN 60 Cb 0.22 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 1j4w h GLN 60 CO -0.01 -0.04 0.58 1.25 -0.67 0.00 0.00 178.83 179.93 1j4w h HIS 61 N -0.90 1.14 -0.74 2.96 2.76 -1.37 -2.48 115.15 116.52 1j4w h HIS 61 Ca -0.04 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1j4w h HIS 61 Cb 0.51 -0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 1j4w h HIS 61 CO 0.04 0.73 0.33 0.00 -1.30 0.00 0.00 177.93 177.73 1j4w h ALA 62 N 1.32 0.96 -0.51 5.26 0.00 -0.53 -1.85 119.26 123.90 1j4w h ALA 62 Ca 0.33 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1j4w h ALA 62 Cb -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 1j4w h ALA 62 CO -0.07 0.56 0.35 0.00 0.00 0.00 0.00 179.25 180.08 1j4w h ALA 63 N 1.16 1.99 -0.51 0.00 0.00 -1.10 -1.89 119.26 118.91 1j4w h ALA 63 Ca 0.25 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1j4w h ALA 63 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1j4w h ALA 63 CO -0.03 -0.09 -0.08 0.93 0.00 0.00 0.00 179.25 179.99 1j4w h GLU 64 N 0.38 0.95 0.27 0.00 5.08 -1.13 -1.17 114.58 118.96 1j4w h GLU 64 Ca 0.23 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1j4w h GLU 64 Cb 0.41 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1j4w h GLU 64 CO -0.06 1.01 -0.16 0.82 -1.00 0.00 0.00 179.01 179.62 1j4w h ILE 65 N 0.81 0.67 -0.59 3.13 2.04 -1.25 0.27 117.51 122.59 1j4w h ILE 65 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.97 1j4w h ILE 65 Cb 0.63 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1j4w h ILE 65 CO 0.04 0.00 0.29 0.40 0.00 0.00 0.00 178.15 178.88 1j4w h ILE 66 N -0.41 1.21 -0.06 -0.67 2.04 -1.52 0.28 117.51 118.38 1j4w h ILE 66 Ca -0.03 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1j4w h ILE 66 Cb 0.34 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1j4w h ILE 66 CO 0.03 0.24 0.02 0.71 0.00 0.00 0.00 178.15 179.16 1j4w h THR 67 N 0.80 1.13 -0.76 -0.27 1.35 -0.99 0.89 112.91 115.07 1j4w h THR 67 Ca 0.20 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1j4w h THR 67 Cb 0.12 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 67.79 1j4w h THR 67 CO -0.03 0.11 0.48 -0.78 -0.25 0.00 0.00 175.52 175.06 1j4w h ASP 68 N -0.06 0.89 -0.01 5.36 1.82 -0.20 0.25 116.42 124.47 1j4w h ASP 68 Ca 0.02 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1j4w h ASP 68 Cb 0.16 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1j4w h ASP 68 CO -0.00 0.67 -0.02 0.25 -1.61 0.00 0.00 179.24 178.52 1j4w h LEU 69 N 1.04 0.04 -1.10 2.28 5.85 0.05 -2.94 115.31 120.53 1j4w h LEU 69 Ca 0.28 -0.59 0.10 0.00 0.84 0.00 0.00 57.88 58.51 1j4w h LEU 69 Cb -0.08 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 1j4w h LEU 69 CO -0.06 0.62 0.61 0.25 -0.34 0.00 0.00 178.44 179.52 1j4w h LEU 70 N -0.54 0.88 -1.42 2.25 5.85 0.11 0.33 115.31 122.77 1j4w h LEU 70 Ca 0.00 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1j4w h LEU 70 Cb 0.61 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1j4w h LEU 70 CO 0.00 0.51 0.43 0.03 -0.34 0.00 0.00 178.44 179.08 1j4w h ARG 71 N 0.97 0.71 0.00 1.25 3.08 -0.91 0.50 114.38 119.98 1j4w h ARG 71 Ca 0.45 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 1j4w h ARG 71 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1j4w h ARG 71 CO -0.21 0.47 -0.03 1.03 -1.07 0.00 0.00 179.97 180.16 1j4w h SER 72 N 0.73 0.00 1.08 7.04 0.87 -0.17 -0.77 113.55 122.32 1j4w h SER 72 Ca 0.27 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1j4w h SER 72 Cb 0.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 1j4w h SER 72 CO -0.08 0.03 -0.97 0.58 -0.53 0.00 0.00 176.83 175.86 1j4w h VAL 73 N 0.00 0.97 -0.27 2.23 2.07 0.27 -3.52 116.25 118.00 1j4w h VAL 73 Ca -0.00 -2.50 -0.62 0.00 0.82 0.00 0.00 66.70 64.40 1j4w h VAL 73 Cb 0.23 2.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1j4w h VAL 73 CO 0.00 0.56 2.31 0.00 0.02 0.00 0.00 177.57 180.46 1j4w n GLN 74 N -3.15 2.30 -3.91 1.57 6.02 -0.30 -5.13 117.38 114.78 1j4w n GLN 74 Ca -0.03 -2.50 -0.10 0.00 -0.01 0.00 0.00 57.00 54.36 1j4w n GLN 74 Cb 0.84 -3.31 -0.09 0.00 1.02 0.00 0.00 30.24 28.70 1j4w n GLN 74 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1j4w s GLN 104 N 4.56 0.61 -0.07 -1.09 0.74 0.65 -5.09 119.66 119.98 1j4w s GLN 104 Ca 0.56 -0.72 0.03 0.00 0.05 0.00 0.00 55.36 55.28 1j4w s GLN 104 Cb 0.09 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.45 1j4w s GLN 104 CO 0.05 -0.16 -0.18 -1.21 -0.55 0.00 0.00 175.29 173.24 1j4w s GLU 105 N -2.58 2.17 -0.08 1.67 2.02 -1.26 -2.54 118.70 118.10 1j4w s GLU 105 Ca -0.05 -0.63 -0.08 0.00 0.02 0.00 0.00 54.97 54.23 1j4w s GLU 105 Cb -0.01 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.49 1j4w s GLU 105 CO -0.04 0.15 0.22 0.12 0.02 0.00 0.00 175.26 175.73 1j4w s PHE 106 N 0.36 -0.24 -0.09 1.61 5.36 -1.03 -5.06 117.98 118.90 1j4w s PHE 106 Ca -0.13 0.58 -0.10 0.00 -0.96 0.00 0.00 56.93 56.32 1j4w s PHE 106 Cb -0.15 0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.56 1j4w s PHE 106 CO 0.05 -0.13 0.24 -0.80 -1.46 0.00 0.00 175.22 173.13 1j4w s ASN 107 N 0.06 6.53 -0.18 6.13 -0.87 -1.26 -2.99 114.94 122.36 1j4w s ASN 107 Ca -0.01 0.63 -0.04 0.00 -1.57 0.00 0.00 52.86 51.87 1j4w s ASN 107 Cb -0.02 -2.14 -0.03 0.00 -0.02 0.00 0.00 41.25 39.05 1j4w s ASN 107 CO 0.00 0.35 -0.02 0.12 -2.57 0.00 0.00 177.10 174.98 1j4w s PHE 108 N -0.86 3.03 0.22 2.20 2.19 -0.77 -5.00 117.98 119.00 1j4w s PHE 108 Ca 0.18 -0.39 -0.29 0.00 0.33 0.00 0.00 56.93 56.76 1j4w s PHE 108 Cb -0.14 -2.02 -0.09 0.00 -1.31 0.00 0.00 43.02 39.46 1j4w s PHE 108 CO 0.07 -0.15 0.90 0.42 1.83 0.00 0.00 175.22 178.30 1j4w s ILE 109 N 0.70 4.13 -0.08 3.12 -1.09 -1.26 -2.61 121.20 124.10 1j4w s ILE 109 Ca -0.01 2.01 -0.03 0.00 -2.23 0.00 0.00 60.65 60.39 1j4w s ILE 109 Cb -0.14 -4.29 0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1j4w s ILE 109 CO 0.02 0.50 0.07 -0.69 -1.23 0.00 0.00 174.94 173.62 1j4w s VAL 110 N -1.17 -0.10 0.31 2.92 1.01 -1.20 -4.98 120.40 117.19 1j4w s VAL 110 Ca 0.40 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 1j4w s VAL 110 Cb -0.25 -0.29 -0.10 0.00 0.00 0.00 0.00 36.38 35.73 1j4w s VAL 110 CO 0.31 0.03 1.39 -2.16 0.00 0.00 0.00 175.10 174.67 1j4w s PRO 111 N 2.16 4.27 0.03 2.72 0.05 -1.26 -2.17 135.00 140.79 1j4w s PRO 111 Ca 0.04 2.32 0.01 0.00 0.05 0.00 0.00 61.00 63.43 1j4w s PRO 111 Cb -0.13 -3.06 0.07 0.00 0.05 0.00 0.00 34.50 31.43 1j4w s PRO 111 CO -0.05 -0.34 0.92 -2.37 0.05 0.00 0.00 177.00 175.21 1j4w n THR 112 N 1.26 1.44 0.08 1.26 5.66 -1.10 -1.41 114.28 121.46 1j4w n THR 112 Ca 0.03 0.52 -0.18 0.00 -3.05 0.00 0.00 64.05 61.37 1j4w n THR 112 Cb 0.41 -1.52 -0.14 0.00 -1.55 0.00 0.00 70.33 67.52 1j4w n THR 112 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1j4w h GLY 113 N 0.00 0.33 -1.05 1.09 0.00 -1.88 -3.33 103.07 98.22 1j4w h GLY 113 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1j4w h GLY 113 CO 0.00 0.73 -0.03 0.28 0.00 0.00 0.00 176.54 177.52 1j4w n LYS 114 N -3.50 1.89 -0.14 4.80 4.76 -0.50 -4.33 118.16 121.14 1j4w n LYS 114 Ca -0.15 -1.34 0.08 0.00 -2.87 0.00 0.00 58.31 54.03 1j4w n LYS 114 Cb 1.05 -1.47 0.41 0.00 -1.84 0.00 0.00 35.03 33.17 1j4w n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j4w h THR 115 N 3.27 0.97 -0.50 -0.18 1.03 -1.63 -1.98 112.91 113.89 1j4w h THR 115 Ca 0.00 -0.21 -0.10 0.00 -0.01 0.00 0.00 66.41 66.09 1j4w h THR 115 Cb 0.71 0.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.08 1j4w h THR 115 CO 0.00 0.11 -0.10 1.23 -0.01 0.00 0.00 175.52 176.75 1j4w h GLY 116 N 0.61 1.00 2.00 2.99 0.00 -1.83 -2.75 103.07 105.10 1j4w h GLY 116 Ca 0.29 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1j4w h GLY 116 CO -0.09 0.71 0.00 1.41 0.00 0.00 0.00 176.54 178.57 1j4w h LEU 117 N 0.83 0.00 0.00 3.11 3.38 -1.66 -3.06 115.31 117.91 1j4w h LEU 117 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1j4w h LEU 117 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1j4w h LEU 117 CO 0.04 0.00 -0.28 0.40 0.09 0.00 0.00 178.44 178.69 1j4w h ILE 118 N 0.00 0.27 -0.01 1.22 2.04 -1.19 -3.38 117.51 116.45 1j4w h ILE 118 Ca 0.00 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1j4w h ILE 118 Cb 0.63 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1j4w h ILE 118 CO 0.00 0.09 -0.05 0.40 0.00 0.00 0.00 178.15 178.59 1j4w h ILE 119 N -1.00 0.85 0.00 -0.67 2.04 -1.63 -3.34 117.51 113.76 1j4w h ILE 119 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1j4w h ILE 119 Cb 0.39 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1j4w h ILE 119 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.74 1j4w n GLY 120 N -1.17 -0.99 3.59 5.37 0.00 -1.16 -2.79 105.19 108.04 1j4w n GLY 120 Ca -0.06 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1j4w n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j4w s LYS 121 N -1.89 3.12 -0.05 1.61 2.47 -1.26 -2.08 119.74 121.67 1j4w s LYS 121 Ca 0.00 1.59 0.00 0.00 -1.56 0.00 0.00 55.97 56.00 1j4w s LYS 121 Cb 0.00 -4.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.07 1j4w s LYS 121 CO 0.00 -2.11 0.00 0.41 0.16 0.00 0.00 175.35 173.81 1j4w n GLY 122 N 5.61 0.46 2.24 5.54 0.00 -1.26 -3.23 105.19 114.55 1j4w n GLY 122 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 1j4w n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j4w n GLY 123 N -2.53 0.48 0.38 -0.02 0.00 -0.88 -4.86 105.19 97.77 1j4w n GLY 123 Ca -0.00 -0.21 0.20 0.00 0.00 0.00 0.00 46.02 46.01 1j4w n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j4w h GLU 124 N 0.54 0.00 0.02 1.61 5.08 -1.64 0.05 114.58 120.24 1j4w h GLU 124 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1j4w h GLU 124 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1j4w h GLU 124 CO 0.04 0.00 -0.01 1.15 -1.00 0.00 0.00 179.01 179.20 1j4w h THR 125 N 0.00 0.63 -0.69 1.13 2.02 -1.77 -2.70 112.91 111.52 1j4w h THR 125 Ca 0.19 -1.43 0.04 0.00 0.77 0.00 0.00 66.41 65.98 1j4w h THR 125 Cb 1.02 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.57 1j4w h THR 125 CO -0.00 0.21 0.46 -0.29 0.37 0.00 0.00 175.52 176.26 1j4w h ILE 126 N -1.00 1.08 0.35 3.11 2.10 -1.38 -0.89 117.51 120.88 1j4w h ILE 126 Ca -0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 64.86 65.65 1j4w h ILE 126 Cb 0.36 0.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.30 1j4w h ILE 126 CO 0.00 0.15 -0.17 0.11 -1.08 0.00 0.00 178.15 177.16 1j4w h LYS 127 N 0.80 -0.45 -0.63 2.19 1.57 -1.14 0.22 116.57 119.13 1j4w h LYS 127 Ca 0.28 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.22 1j4w h LYS 127 Cb 0.12 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.41 1j4w h LYS 127 CO -0.08 -0.13 -0.14 0.66 -0.57 0.00 0.00 179.45 179.19 1j4w h SER 128 N -0.82 -0.55 -0.31 0.86 4.64 -1.11 0.54 113.55 116.80 1j4w h SER 128 Ca -0.05 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1j4w h SER 128 Cb 0.53 0.38 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1j4w h SER 128 CO 0.08 -0.20 0.20 0.40 -0.87 0.00 0.00 176.83 176.44 1j4w h ILE 129 N 0.01 1.09 -0.23 0.95 2.04 -1.07 0.22 117.51 120.52 1j4w h ILE 129 Ca 0.31 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1j4w h ILE 129 Cb 0.48 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1j4w h ILE 129 CO -0.64 0.08 0.08 0.77 0.00 0.00 0.00 178.15 178.44 1j4w h SER 130 N 0.42 0.33 0.04 1.72 4.64 0.14 0.14 113.55 120.97 1j4w h SER 130 Ca 0.11 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1j4w h SER 130 Cb -0.04 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1j4w h SER 130 CO -0.02 0.42 -0.02 1.56 -0.87 0.00 0.00 176.83 177.90 1j4w h GLN 131 N 0.21 -0.05 -0.73 4.77 4.20 0.11 3.13 115.11 126.75 1j4w h GLN 131 Ca 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1j4w h GLN 131 Cb 0.21 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1j4w h GLN 131 CO -0.00 0.27 0.25 1.96 -0.67 0.00 0.00 178.83 180.63 1j4w h GLN 132 N -0.37 1.10 -0.00 1.46 4.20 -0.97 -1.17 115.11 119.36 1j4w h GLN 132 Ca -0.01 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.49 1j4w h GLN 132 Cb 0.34 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1j4w h GLN 132 CO 0.01 0.92 -0.24 -1.13 -0.67 0.00 0.00 178.83 177.72 1j4w n SER 133 N -4.27 0.61 0.00 1.46 3.41 0.49 -4.89 113.62 110.43 1j4w n SER 133 Ca 0.06 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.18 1j4w n SER 133 Cb 0.21 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1j4w n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j4w n GLY 134 N 1.37 0.00 3.86 5.00 0.00 1.04 -4.52 105.19 111.95 1j4w n GLY 134 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1j4w n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j4w s ALA 135 N -0.84 2.98 -0.33 4.61 0.00 -0.90 -4.91 121.76 122.37 1j4w s ALA 135 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.72 1j4w s ALA 135 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1j4w s ALA 135 CO 0.00 -0.87 0.21 0.50 0.00 0.00 0.00 175.76 175.60 1j4w s ARG 136 N -5.19 3.46 -0.11 0.00 3.52 0.10 -4.58 118.95 116.15 1j4w s ARG 136 Ca 0.56 -0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 55.47 1j4w s ARG 136 Cb -0.11 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1j4w s ARG 136 CO 0.54 -0.42 0.04 0.42 -0.81 0.00 0.00 175.30 175.07 1j4w s ILE 137 N 1.69 4.68 -0.16 4.11 1.01 -1.26 -2.79 121.20 128.47 1j4w s ILE 137 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.56 1j4w s ILE 137 Cb -0.17 -3.01 0.08 0.00 0.01 0.00 0.00 42.46 39.37 1j4w s ILE 137 CO 0.09 0.59 0.28 -1.61 0.00 0.00 0.00 174.94 174.29 1j4w s GLU 138 N -0.73 0.19 -0.20 2.79 2.02 -1.15 -5.05 118.70 116.57 1j4w s GLU 138 Ca 0.12 0.67 -0.38 0.00 0.02 0.00 0.00 54.97 55.40 1j4w s GLU 138 Cb -0.12 -0.23 -0.14 0.00 0.10 0.00 0.00 34.13 33.74 1j4w s GLU 138 CO 0.02 -0.38 1.79 1.28 0.02 0.00 0.00 175.26 178.00 1j4w n LEU 139 N 5.35 2.77 -4.62 1.80 4.77 -1.26 -3.07 117.00 122.74 1j4w n LEU 139 Ca -0.06 1.04 -0.40 0.00 -0.03 0.00 0.00 56.01 56.56 1j4w n LEU 139 Cb 0.50 -1.23 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 1j4w n LEU 139 CO 0.04 -0.30 0.30 -1.58 -1.33 0.00 0.00 177.39 174.51 1j4w s GLN 140 N 3.69 4.08 0.51 3.23 2.00 0.41 -4.88 119.66 128.71 1j4w s GLN 140 Ca 0.96 0.40 -0.22 0.00 -2.00 0.00 0.00 55.36 54.51 1j4w s GLN 140 Cb -0.93 -3.65 -0.06 0.00 0.80 0.00 0.00 33.01 29.17 1j4w s GLN 140 CO 0.60 -0.37 1.21 1.03 -0.50 0.00 0.00 175.29 177.26 1j4w s ARG 141 N 2.38 3.46 -0.23 1.67 1.81 -1.26 -3.26 118.95 123.51 1j4w s ARG 141 Ca 0.23 1.85 -0.03 0.00 -1.72 0.00 0.00 55.73 56.06 1j4w s ARG 141 Cb -0.16 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.10 1j4w s ARG 141 CO 0.09 -0.82 -0.05 0.54 -0.68 0.00 0.00 175.30 174.38 1j4w s ASN 142 N -1.37 4.27 -0.40 0.23 4.22 -1.26 -4.82 114.94 115.81 1j4w s ASN 142 Ca 0.69 -0.55 -0.37 0.00 -2.14 0.00 0.00 52.86 50.49 1j4w s ASN 142 Cb -0.31 -1.71 -0.13 0.00 1.28 0.00 0.00 41.25 40.38 1j4w s ASN 142 CO 0.36 -0.06 2.20 -2.65 -2.04 0.00 0.00 177.10 174.91 1j4w n PRO 143 N 4.76 0.82 -0.26 3.55 -0.02 -1.26 -4.79 135.00 137.80 1j4w n PRO 143 Ca -0.18 0.22 0.03 0.00 -2.02 0.00 0.00 63.50 61.55 1j4w n PRO 143 Cb 0.50 -2.26 0.16 0.00 -0.02 0.00 0.00 33.50 31.88 1j4w n PRO 143 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j4w h PRO 144 N 11.83 0.58 -0.41 0.52 0.11 -1.96 1.47 132.00 144.14 1j4w h PRO 144 Ca -0.23 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.91 1j4w h PRO 144 Cb 1.34 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1j4w h PRO 144 CO 1.05 0.39 0.08 -1.35 -0.21 0.00 0.00 178.00 177.95 1j4w h PRO 145 N 0.60 0.21 0.00 1.05 0.11 -2.02 -3.35 132.00 128.59 1j4w h PRO 145 Ca 0.38 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 66.22 1j4w h PRO 145 Cb 0.46 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.48 1j4w h PRO 145 CO -0.30 0.14 -1.97 0.09 -0.21 0.00 0.00 178.00 175.74 1j4w n ASN 146 N -5.10 2.58 -4.63 -2.05 4.13 -1.02 -5.01 115.26 104.16 1j4w n ASN 146 Ca 0.03 -0.07 -0.29 0.00 1.68 0.00 0.00 54.58 55.94 1j4w n ASN 146 Cb 0.19 -0.29 0.19 0.00 -1.54 0.00 0.00 39.78 38.34 1j4w n ASN 146 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j4w s ALA 147 N -2.34 0.60 -0.39 5.41 0.00 0.50 -4.96 121.76 120.58 1j4w s ALA 147 Ca -0.23 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.26 1j4w s ALA 147 Cb 0.06 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1j4w s ALA 147 CO 0.39 -3.09 0.65 -0.51 0.00 0.00 0.00 175.76 173.20 1j4w s ASP 148 N -3.18 6.39 0.38 0.00 1.01 -1.26 -4.64 116.67 115.37 1j4w s ASP 148 Ca 0.66 -0.03 0.21 0.00 0.71 0.00 0.00 52.55 54.09 1j4w s ASP 148 Cb -0.20 -2.33 1.12 0.00 1.01 0.00 0.00 42.92 42.52 1j4w s ASP 148 CO 0.59 -0.68 1.59 -0.65 0.21 0.00 0.00 175.17 176.23 1j4w h PRO 149 N 8.64 0.00 0.00 8.23 0.11 -1.89 0.63 132.00 147.72 1j4w h PRO 149 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j4w h PRO 149 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1j4w h PRO 149 CO 0.87 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 1j4w n ASN 150 N -2.30 0.40 -4.11 -2.05 3.02 -1.26 -4.76 115.26 104.20 1j4w n ASN 150 Ca -0.01 0.55 -0.18 0.00 -0.03 0.00 0.00 54.58 54.91 1j4w n ASN 150 Cb 0.19 -0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1j4w n ASN 150 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1j4w s MET 151 N -3.07 0.76 0.28 3.52 -1.94 0.22 -2.70 119.30 116.38 1j4w s MET 151 Ca 0.11 -0.73 0.10 0.00 -1.71 0.00 0.00 55.69 53.46 1j4w s MET 151 Cb 0.15 -0.71 -0.05 0.00 2.01 0.00 0.00 34.83 36.22 1j4w s MET 151 CO 0.52 0.17 -0.15 0.15 -0.01 0.00 0.00 175.02 175.70 1j4w s LYS 152 N -1.23 1.64 -0.17 2.03 1.02 -0.92 -4.61 119.74 117.50 1j4w s LYS 152 Ca -0.02 -1.78 -0.01 0.00 0.02 0.00 0.00 55.97 54.18 1j4w s LYS 152 Cb -0.08 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1j4w s LYS 152 CO 0.01 0.23 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.38 1j4w s LEU 153 N -3.49 2.66 -0.22 3.17 2.96 -1.20 -3.22 118.68 119.33 1j4w s LEU 153 Ca 0.29 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.74 1j4w s LEU 153 Cb -0.02 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1j4w s LEU 153 CO 0.14 0.08 0.01 -0.36 -1.32 0.00 0.00 176.35 174.90 1j4w s PHE 154 N 0.86 3.04 0.07 5.38 0.40 -1.07 -0.45 117.98 126.21 1j4w s PHE 154 Ca -0.03 -0.53 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 1j4w s PHE 154 Cb -0.15 -2.13 -0.07 0.00 0.51 0.00 0.00 43.02 41.18 1j4w s PHE 154 CO -0.00 -0.33 0.57 0.99 0.70 0.00 0.00 175.22 177.15 1j4w s THR 155 N 1.26 4.75 -0.04 0.64 2.01 -1.17 -1.84 115.64 121.25 1j4w s THR 155 Ca 0.04 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.23 1j4w s THR 155 Cb -0.15 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1j4w s THR 155 CO 0.01 0.55 0.07 -0.63 -0.69 0.00 0.00 174.62 173.93 1j4w s ILE 156 N -1.05 -0.12 0.02 1.82 1.01 -1.16 -2.93 121.20 118.80 1j4w s ILE 156 Ca 0.29 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.33 1j4w s ILE 156 Cb -0.19 -0.16 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 1j4w s ILE 156 CO 0.19 0.16 -0.05 -0.13 0.00 0.00 0.00 174.94 175.11 1j4w s ARG 157 N 1.95 0.38 0.00 2.79 0.52 -1.12 -2.46 118.95 121.02 1j4w s ARG 157 Ca 0.02 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1j4w s ARG 157 Cb -0.12 -0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.23 1j4w s ARG 157 CO -0.03 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1j4w n GLY 158 N 1.83 0.61 3.83 -3.53 0.00 -1.05 0.00 105.19 106.87 1j4w n GLY 158 Ca -0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 1j4w n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j4w s THR 159 N -2.02 4.46 0.21 2.61 -4.23 -1.26 0.24 115.64 115.65 1j4w s THR 159 Ca 0.00 1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 61.73 1j4w s THR 159 Cb 0.00 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.48 1j4w s THR 159 CO 0.00 -0.34 1.35 -2.65 -0.54 0.00 0.00 174.62 172.44 1j4w n PRO 160 N -0.70 -0.17 0.09 3.99 -0.02 -1.26 0.13 135.00 137.05 1j4w n PRO 160 Ca 0.06 1.34 -0.02 0.00 -2.02 0.00 0.00 63.50 62.86 1j4w n PRO 160 Cb 0.54 -1.99 0.22 0.00 -0.02 0.00 0.00 33.50 32.25 1j4w n PRO 160 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1j4w h GLN 161 N 0.00 0.27 -0.09 -0.52 4.15 -1.99 -2.78 115.11 114.15 1j4w h GLN 161 Ca 0.33 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 1j4w h GLN 161 Cb 0.55 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 1j4w h GLN 161 CO -0.87 0.62 -0.13 1.96 -1.93 0.00 0.00 178.83 178.48 1j4w h GLN 162 N 0.23 0.25 -0.38 1.69 1.08 0.77 -3.02 115.11 115.73 1j4w h GLN 162 Ca 0.02 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1j4w h GLN 162 Cb 0.79 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 1j4w h GLN 162 CO 0.06 0.71 0.05 0.97 -0.95 0.00 0.00 178.83 179.68 1j4w h ILE 163 N -0.19 1.19 -0.57 2.54 2.10 -0.67 -2.49 117.51 119.41 1j4w h ILE 163 Ca 0.01 -0.72 -0.07 0.00 1.08 0.00 0.00 64.86 65.16 1j4w h ILE 163 Cb 0.69 0.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.24 1j4w h ILE 163 CO 0.03 0.25 0.08 -0.78 -1.08 0.00 0.00 178.15 176.66 1j4w h ASP 164 N 0.56 0.89 -0.64 2.19 3.58 -1.50 -2.10 116.42 119.39 1j4w h ASP 164 Ca 0.13 -0.20 -0.05 0.00 0.42 0.00 0.00 57.03 57.32 1j4w h ASP 164 Cb 0.28 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1j4w h ASP 164 CO 0.00 0.90 0.19 0.22 -2.88 0.00 0.00 179.24 177.67 1j4w h TYR 165 N 0.88 1.04 -0.46 0.28 3.20 -1.32 -2.65 116.97 117.93 1j4w h TYR 165 Ca 0.18 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 1j4w h TYR 165 Cb 0.40 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1j4w h TYR 165 CO 0.03 0.85 0.16 0.00 -1.64 0.00 0.00 178.16 177.56 1j4w h ALA 166 N 1.07 0.61 -0.92 1.82 0.00 -1.22 -2.80 119.26 117.82 1j4w h ALA 166 Ca 0.20 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1j4w h ALA 166 Cb 0.31 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1j4w h ALA 166 CO -0.00 0.25 0.57 -0.09 0.00 0.00 0.00 179.25 179.97 1j4w h ARG 167 N 0.61 0.98 0.03 0.00 2.43 -1.16 -1.47 114.38 115.79 1j4w h ARG 167 Ca 0.15 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1j4w h ARG 167 Cb 0.25 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1j4w h ARG 167 CO -0.01 0.65 -0.03 1.96 -1.51 0.00 0.00 179.97 181.03 1j4w h GLN 168 N 1.01 -0.06 0.01 0.20 4.20 -1.21 -1.55 115.11 117.70 1j4w h GLN 168 Ca 0.41 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.13 1j4w h GLN 168 Cb 0.25 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1j4w h GLN 168 CO -0.20 -0.04 -0.01 -0.07 -0.67 0.00 0.00 178.83 177.84 1j4w h LEU 169 N -0.07 -0.01 -0.66 1.46 3.38 -1.40 -2.92 115.31 115.10 1j4w h LEU 169 Ca 0.00 -0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1j4w h LEU 169 Cb 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.70 1j4w h LEU 169 CO -0.01 0.07 -0.37 0.40 0.09 0.00 0.00 178.44 178.62 1j4w h ILE 170 N -0.10 0.12 0.00 1.22 2.04 -1.03 -2.60 117.51 117.16 1j4w h ILE 170 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1j4w h ILE 170 Cb 0.10 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1j4w h ILE 170 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.36 1j4w n GLU 171 N -5.43 0.00 0.18 2.37 2.13 -0.61 -1.82 120.64 117.46 1j4w n GLU 171 Ca 0.04 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1j4w n GLU 171 Cb 0.36 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 31.04 1j4w n GLU 171 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1j4w n GLU 172 N -0.75 0.02 -0.01 5.31 1.02 -1.12 0.25 120.64 125.35 1j4w n GLU 172 Ca 0.00 0.51 0.11 0.00 -0.02 0.00 0.00 57.16 57.76 1j4w n GLU 172 Cb 0.00 -1.75 -0.16 0.00 -0.02 0.00 0.00 31.44 29.51 1j4w n GLU 172 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j4w n LYS 173 N -1.63 0.59 0.00 3.49 5.02 -0.77 -5.12 118.16 119.74 1j4w n LYS 173 Ca 0.00 -0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.25 1j4w n LYS 173 Cb 0.63 -1.51 0.34 0.00 -0.02 0.00 0.00 35.03 34.47 1j4w n LYS 173 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99