#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s GLN 2 N 0.00 2.90 -0.09 3.17 -0.21 -1.26 -1.74 119.66 122.44 1yj9 s GLN 2 Ca 0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 1yj9 s GLN 2 Cb 0.00 -2.69 0.03 0.00 1.00 0.00 0.00 33.01 31.35 1yj9 s GLN 2 CO 0.00 0.52 0.23 1.41 -2.12 0.00 0.00 175.29 175.33 1yj9 s MET 3 N -2.80 0.24 0.18 2.91 1.75 0.27 -4.89 119.30 116.95 1yj9 s MET 3 Ca 0.30 0.38 -0.33 0.00 -1.25 0.00 0.00 55.69 54.80 1yj9 s MET 3 Cb -0.11 0.03 -0.12 0.00 2.84 0.00 0.00 34.83 37.47 1yj9 s MET 3 CO 0.23 -0.08 1.69 -0.35 -0.65 0.00 0.00 175.02 175.86 1yj9 n PRO 4 N 3.42 2.58 -0.15 4.11 -0.04 -1.26 -0.05 135.00 143.60 1yj9 n PRO 4 Ca -0.17 0.93 0.02 0.00 -0.04 0.00 0.00 63.50 64.24 1yj9 n PRO 4 Cb 0.56 -2.76 0.30 0.00 -0.04 0.00 0.00 33.50 31.56 1yj9 n PRO 4 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1yj9 h ARG 5 N 6.71 0.86 -4.72 0.54 9.65 -1.75 -3.43 114.38 122.23 1yj9 h ARG 5 Ca -0.44 -0.05 -0.31 0.00 -1.10 0.00 0.00 59.98 58.08 1yj9 h ARG 5 Cb 1.22 -0.19 -0.22 0.00 -1.39 0.00 0.00 29.97 29.38 1yj9 h ARG 5 CO 0.94 0.57 -0.75 1.03 2.80 0.00 0.00 179.97 184.56 1yj9 s ARG 6 N -5.75 0.59 0.01 0.20 0.52 -1.26 -1.37 118.95 111.89 1yj9 s ARG 6 Ca -0.10 -0.73 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 1yj9 s ARG 6 Cb 0.18 -0.44 0.10 0.00 0.52 0.00 0.00 34.95 35.31 1yj9 s ARG 6 CO 0.77 0.09 1.06 -0.59 0.02 0.00 0.00 175.30 176.64 1yj9 s PHE 7 N -1.20 -0.17 0.30 -0.53 -0.12 -0.96 -5.01 117.98 110.30 1yj9 s PHE 7 Ca -0.07 -0.00 -0.14 0.00 -0.05 0.00 0.00 56.93 56.67 1yj9 s PHE 7 Cb -0.09 0.57 -0.09 0.00 -0.63 0.00 0.00 43.02 42.78 1yj9 s PHE 7 CO 0.01 -0.52 0.70 -0.80 -0.05 0.00 0.00 175.22 174.55 1yj9 s ASN 8 N -2.70 6.74 0.00 1.98 0.01 -1.26 -0.63 114.94 119.09 1yj9 s ASN 8 Ca 0.10 1.20 0.00 0.00 -0.71 0.00 0.00 52.86 53.46 1yj9 s ASN 8 Cb 0.00 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1yj9 s ASN 8 CO -0.03 -0.18 0.00 1.07 -1.51 0.00 0.00 177.10 176.45 1yj9 n THR 9 N -0.32 0.00 -2.06 1.60 5.66 -0.79 -4.90 114.28 113.49 1yj9 n THR 9 Ca 0.03 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.62 1yj9 n THR 9 Cb 0.53 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.29 1yj9 n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1yj9 s TYR 10 N -2.00 2.97 -0.37 1.09 5.04 -1.26 -1.76 117.35 121.06 1yj9 s TYR 10 Ca 0.00 1.33 -0.03 0.00 -2.44 0.00 0.00 57.07 55.93 1yj9 s TYR 10 Cb 0.00 -3.75 0.09 0.00 0.35 0.00 0.00 41.96 38.65 1yj9 s TYR 10 CO 0.00 -2.13 0.14 0.00 -1.34 0.00 0.00 175.55 172.22 1yj9 h PRO 12 N 8.05 0.00 0.00 0.00 0.13 -1.94 0.12 132.00 138.35 1yj9 h PRO 12 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 1yj9 h PRO 12 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1yj9 h PRO 12 CO 0.65 0.00 -0.55 0.45 -0.23 0.00 0.00 178.00 178.32 1yj9 h HIS 13 N 0.00 0.00 0.00 1.56 3.86 -1.94 -3.37 115.15 115.26 1yj9 h HIS 13 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1yj9 h HIS 13 Cb 0.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1yj9 h HIS 13 CO 0.00 0.71 -0.08 0.00 0.86 0.00 0.00 177.93 179.42 1yj9 n ASN 15 N -3.18 -3.81 -3.64 0.00 2.85 0.37 -5.00 115.26 102.84 1yj9 n ASN 15 Ca 0.01 0.11 -0.15 0.00 -0.11 0.00 0.00 54.58 54.44 1yj9 n ASN 15 Cb 0.40 -2.70 -0.08 0.00 1.24 0.00 0.00 39.78 38.65 1yj9 n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1yj9 s GLU 16 N -3.80 0.81 0.12 1.20 -1.05 -1.24 -4.97 118.70 109.78 1yj9 s GLU 16 Ca 0.00 0.28 -0.32 0.00 -0.15 0.00 0.00 54.97 54.78 1yj9 s GLU 16 Cb 0.00 0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.96 1yj9 s GLU 16 CO 0.00 -0.21 1.77 0.72 0.95 0.00 0.00 175.26 178.49 1yj9 n HIS 17 N 1.60 2.55 -4.23 4.83 8.25 -1.26 -3.36 115.22 123.60 1yj9 n HIS 17 Ca -0.18 -0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.13 1yj9 n HIS 17 Cb 0.56 -2.68 -0.10 0.00 1.12 0.00 0.00 29.99 28.90 1yj9 n HIS 17 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1yj9 s GLN 18 N 2.23 1.24 -0.39 -0.41 2.00 -0.72 -4.91 119.66 118.69 1yj9 s GLN 18 Ca 0.81 -1.65 -0.25 0.00 -2.00 0.00 0.00 55.36 52.27 1yj9 s GLN 18 Cb -0.55 0.12 0.02 0.00 0.80 0.00 0.00 33.01 33.40 1yj9 s GLN 18 CO 0.38 -0.35 0.91 -2.00 -0.50 0.00 0.00 175.29 173.72 1yj9 s GLU 19 N -4.12 3.75 0.43 1.67 2.12 -1.26 -1.88 118.70 119.42 1yj9 s GLU 19 Ca 0.38 0.44 0.03 0.00 0.36 0.00 0.00 54.97 56.18 1yj9 s GLU 19 Cb 0.07 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1yj9 s GLU 19 CO 0.12 -1.00 0.61 -1.01 -0.54 0.00 0.00 175.26 173.43 1yj9 s HIS 20 N 3.49 3.08 -0.03 5.30 3.76 0.20 0.37 115.29 131.47 1yj9 s HIS 20 Ca 0.37 -0.03 0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1yj9 s HIS 20 Cb -0.12 -2.29 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 1yj9 s HIS 20 CO 0.20 -0.34 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.58 1yj9 s GLU 21 N -4.44 1.56 -0.13 1.40 2.12 0.22 -2.27 118.70 117.16 1yj9 s GLU 21 Ca 0.49 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 1yj9 s GLU 21 Cb -0.10 -1.43 -0.03 0.00 0.26 0.00 0.00 34.13 32.82 1yj9 s GLU 21 CO 0.35 0.32 0.01 0.08 -0.54 0.00 0.00 175.26 175.48 1yj9 s VAL 22 N -0.21 4.34 0.02 3.70 1.01 -0.47 -0.38 120.40 128.40 1yj9 s VAL 22 Ca 0.02 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1yj9 s VAL 22 Cb -0.09 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1yj9 s VAL 22 CO 0.00 0.54 -0.07 -0.70 0.00 0.00 0.00 175.10 174.87 1yj9 s GLU 23 N -0.20 0.51 0.06 2.72 2.12 -0.97 -4.93 118.70 118.02 1yj9 s GLU 23 Ca 0.05 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1yj9 s GLU 23 Cb -0.12 -0.41 -0.05 0.00 0.26 0.00 0.00 34.13 33.80 1yj9 s GLU 23 CO 0.02 0.10 1.07 0.15 -0.54 0.00 0.00 175.26 176.06 1yj9 s LYS 24 N -0.72 4.54 0.18 4.30 1.02 -1.26 -0.94 119.74 126.86 1yj9 s LYS 24 Ca -0.02 1.59 -0.32 0.00 0.02 0.00 0.00 55.97 57.24 1yj9 s LYS 24 Cb -0.05 -3.38 -0.11 0.00 -0.52 0.00 0.00 37.83 33.76 1yj9 s LYS 24 CO 0.00 -0.06 1.75 0.08 -0.92 0.00 0.00 175.35 176.20 1yj9 s VAL 25 N 0.69 2.23 -0.16 3.17 1.01 -0.54 -4.90 120.40 121.89 1yj9 s VAL 25 Ca 0.53 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1yj9 s VAL 25 Cb -0.25 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1yj9 s VAL 25 CO 0.30 0.00 0.26 -0.13 0.00 0.00 0.00 175.10 175.53 1yj9 s ARG 26 N 1.73 4.20 0.10 2.72 0.52 -1.26 -5.04 118.95 121.92 1yj9 s ARG 26 Ca 0.77 0.03 -0.31 0.00 -0.52 0.00 0.00 55.73 55.70 1yj9 s ARG 26 Cb -0.48 -3.41 -0.09 0.00 0.52 0.00 0.00 34.95 31.49 1yj9 s ARG 26 CO 0.33 0.28 1.61 -1.12 0.02 0.00 0.00 175.30 176.43 1yj9 s SER 27 N 0.35 6.61 0.82 0.23 0.01 -1.26 -4.98 113.70 115.48 1yj9 s SER 27 Ca 0.15 2.51 -0.11 0.00 1.31 0.00 0.00 55.95 59.81 1yj9 s SER 27 Cb -0.13 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.62 1yj9 s SER 27 CO 0.03 -0.85 1.10 -0.83 0.41 0.00 0.00 173.24 173.09 1yj9 s GLY 28 N 1.92 1.66 0.10 3.44 0.00 -1.26 -5.02 107.32 108.16 1yj9 s GLY 28 Ca 0.72 0.22 -0.07 0.00 0.00 0.00 0.00 44.72 45.60 1yj9 s GLY 28 CO 0.32 0.62 0.37 -1.60 0.00 0.00 0.00 173.10 172.80 1yj9 s ARG 29 N -4.88 3.66 0.54 2.90 3.52 -1.26 -5.09 118.95 118.34 1yj9 s ARG 29 Ca 0.62 0.00 -0.07 0.00 -0.13 0.00 0.00 55.73 56.15 1yj9 s ARG 29 Cb -0.18 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.24 1yj9 s ARG 29 CO 0.57 0.53 0.88 -0.65 -0.81 0.00 0.00 175.30 175.82 1yj9 s GLN 30 N -2.26 3.52 -0.02 5.12 -0.21 -1.26 -5.00 119.66 119.55 1yj9 s GLN 30 Ca 0.36 0.38 0.18 0.00 0.02 0.00 0.00 55.36 56.30 1yj9 s GLN 30 Cb -0.13 -2.26 -0.25 0.00 1.00 0.00 0.00 33.01 31.37 1yj9 s GLN 30 CO 0.21 -0.37 0.51 0.25 -2.12 0.00 0.00 175.29 173.77 1yj9 n THR 31 N -2.46 0.00 -2.66 -0.19 -2.24 -1.26 -4.98 114.28 100.49 1yj9 n THR 31 Ca 0.03 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.30 1yj9 n THR 31 Cb 0.55 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1yj9 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yj9 n GLY 32 N 1.46 -0.45 0.00 3.38 0.00 -1.26 -4.84 105.19 103.48 1yj9 n GLY 32 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yj9 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yj9 n MET 33 N -3.36 0.03 -1.11 1.61 2.81 -1.26 -4.82 117.12 111.02 1yj9 n MET 33 Ca -0.17 -0.48 -0.29 0.00 -1.81 0.00 0.00 57.70 54.95 1yj9 n MET 33 Cb 0.65 -0.78 0.20 0.00 -0.71 0.00 0.00 33.22 32.58 1yj9 n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1yj9 s LYS 34 N -0.15 -0.22 0.22 0.03 3.01 -1.26 -4.84 119.74 116.54 1yj9 s LYS 34 Ca 0.00 0.32 -0.06 0.00 -1.01 0.00 0.00 55.97 55.22 1yj9 s LYS 34 Cb 0.00 -1.68 0.18 0.00 -1.01 0.00 0.00 37.83 35.32 1yj9 s LYS 34 CO 0.00 -3.12 1.73 2.35 0.51 0.00 0.00 175.35 176.81 1yj9 h TRP 35 N -2.17 1.10 -0.57 3.18 7.01 -2.00 -2.26 115.95 120.23 1yj9 h TRP 35 Ca -0.52 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.35 1yj9 h TRP 35 Cb 1.32 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 1yj9 h TRP 35 CO -0.47 0.92 0.38 0.97 -2.79 0.00 0.00 178.44 177.45 1yj9 h ILE 36 N 0.98 1.14 -0.50 2.65 6.09 -2.00 -2.00 117.51 123.87 1yj9 h ILE 36 Ca 0.20 -0.26 -0.05 0.00 -1.37 0.00 0.00 64.86 63.37 1yj9 h ILE 36 Cb 0.40 0.31 -0.02 0.00 0.47 0.00 0.00 36.82 37.98 1yj9 h ILE 36 CO 0.01 0.14 0.11 0.44 -3.07 0.00 0.00 178.15 175.78 1yj9 h ASP 37 N 0.77 0.77 -0.28 2.19 3.32 -1.76 -2.63 116.42 118.80 1yj9 h ASP 37 Ca 0.21 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1yj9 h ASP 37 Cb -0.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1yj9 h ASP 37 CO -0.05 0.81 0.15 0.03 -1.72 0.00 0.00 179.24 178.47 1yj9 h ARG 38 N 0.69 0.39 -0.79 3.56 3.08 -1.13 -2.75 114.38 117.43 1yj9 h ARG 38 Ca 0.16 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1yj9 h ARG 38 Cb 0.35 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 1yj9 h ARG 38 CO 0.00 0.33 0.52 0.37 -1.07 0.00 0.00 179.97 180.13 1yj9 h GLN 39 N 0.34 0.91 0.47 0.04 4.15 -1.30 0.44 115.11 120.16 1yj9 h GLN 39 Ca 0.10 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1yj9 h GLN 39 Cb 0.06 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 1yj9 h GLN 39 CO -0.02 0.60 -0.34 -0.09 -1.93 0.00 0.00 178.83 177.05 1yj9 h ARG 40 N 0.94 -0.77 -0.64 1.69 2.43 -1.18 0.80 114.38 117.66 1yj9 h ARG 40 Ca 0.32 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 1yj9 h ARG 40 Cb 0.10 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1yj9 h ARG 40 CO -0.10 -0.51 0.15 0.93 -1.51 0.00 0.00 179.97 178.93 1yj9 h GLU 41 N -0.80 1.00 -0.28 0.20 5.08 -1.29 -2.42 114.58 116.08 1yj9 h GLU 41 Ca -0.05 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 57.94 1yj9 h GLU 41 Cb 0.68 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1yj9 h GLU 41 CO 0.01 0.89 -0.41 -0.09 -1.00 0.00 0.00 179.01 178.41 1yj9 h ARG 42 N 0.96 0.77 -0.02 2.33 2.43 0.32 -3.28 114.38 117.89 1yj9 h ARG 42 Ca 0.20 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1yj9 h ARG 42 Cb 0.34 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1yj9 h ARG 42 CO 0.00 1.08 -0.02 0.09 -1.51 0.00 0.00 179.97 179.61 1yj9 n ASN 43 N -4.15 1.55 -4.58 -3.80 3.02 0.27 -4.86 115.26 102.72 1yj9 n ASN 43 Ca -0.04 -1.48 -0.40 0.00 -0.03 0.00 0.00 54.58 52.63 1yj9 n ASN 43 Cb 0.55 0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.64 1yj9 n ASN 43 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yj9 s SER 44 N -2.04 6.24 0.00 6.41 0.01 -0.91 -4.96 113.70 118.44 1yj9 s SER 44 Ca 0.36 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.70 1yj9 s SER 44 Cb 0.21 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1yj9 s SER 44 CO 0.35 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1yj9 n GLY 45 N 4.79 4.76 3.73 3.44 0.00 -1.26 -4.97 105.19 115.67 1yj9 n GLY 45 Ca -0.08 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1yj9 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yj9 s ILE 46 N 3.74 4.08 0.00 -0.61 1.01 -1.26 -4.86 121.20 123.30 1yj9 s ILE 46 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1yj9 s ILE 46 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1yj9 s ILE 46 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1yj9 n GLY 47 N 2.45 -1.98 3.69 6.18 0.00 -1.26 -4.88 105.19 109.39 1yj9 n GLY 47 Ca 0.05 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 1yj9 n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yj9 n ASN 48 N 0.77 2.62 -1.91 1.61 5.15 -1.26 -4.92 115.26 117.33 1yj9 n ASN 48 Ca 0.00 1.19 -0.15 0.00 -0.60 0.00 0.00 54.58 55.02 1yj9 n ASN 48 Cb 0.00 -1.47 0.21 0.00 -0.53 0.00 0.00 39.78 37.99 1yj9 n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1yj9 n ASP 49 N 0.69 3.70 0.00 1.20 8.00 -1.26 -4.88 116.55 124.00 1yj9 n ASP 49 Ca 0.05 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1yj9 n ASP 49 Cb 0.37 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1yj9 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yj9 n GLY 50 N -0.92 3.63 0.35 0.44 0.00 -1.26 -2.36 105.19 105.07 1yj9 n GLY 50 Ca 0.49 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.49 1yj9 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yj9 h LYS 51 N 0.00 0.98 0.00 1.61 2.10 -2.00 -1.50 116.57 117.75 1yj9 h LYS 51 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1yj9 h LYS 51 Cb 0.00 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.11 1yj9 h LYS 51 CO 0.00 0.65 0.00 1.19 -2.00 0.00 0.00 179.45 179.29 1yj9 n PHE 52 N -4.61 0.00 0.31 0.07 3.01 -0.99 -1.88 117.46 113.36 1yj9 n PHE 52 Ca 0.17 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.72 1yj9 n PHE 52 Cb 0.30 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 39.90 1yj9 n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1yj9 n SER 53 N -0.77 2.84 -4.92 4.37 7.64 -0.57 -4.91 113.62 117.30 1yj9 n SER 53 Ca 0.07 -1.83 -0.27 0.00 1.01 0.00 0.00 58.87 57.85 1yj9 n SER 53 Cb 0.03 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1yj9 n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1yj9 s LYS 54 N -1.25 2.60 0.18 1.43 1.02 -0.79 -5.00 119.74 117.93 1yj9 s LYS 54 Ca 0.26 -0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.32 1yj9 s LYS 54 Cb 0.16 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1yj9 s LYS 54 CO 0.23 -0.99 -0.20 0.14 -0.92 0.00 0.00 175.35 173.61 1yj9 s VAL 55 N -3.17 2.00 0.31 3.17 -7.23 -1.26 -5.11 120.40 109.11 1yj9 s VAL 55 Ca 0.57 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.47 1yj9 s VAL 55 Cb -0.11 -1.96 -0.14 0.00 0.56 0.00 0.00 36.38 34.74 1yj9 s VAL 55 CO 0.46 -0.28 1.02 -2.65 -0.31 0.00 0.00 175.10 173.34 1yj9 n PRO 56 N 0.19 1.39 0.00 4.82 -0.02 -1.26 -4.99 135.00 135.13 1yj9 n PRO 56 Ca -0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1yj9 n PRO 56 Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1yj9 n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yj9 n GLY 57 N 1.19 -1.31 0.00 -1.23 0.00 -1.26 -5.10 105.19 97.48 1yj9 n GLY 57 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1yj9 n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yj9 n GLY 58 N 2.73 2.53 3.12 -0.02 0.00 -1.26 -5.15 105.19 107.15 1yj9 n GLY 58 Ca 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 1yj9 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yj9 s ASP 59 N -0.61 0.15 0.33 1.61 1.01 -1.26 -5.15 116.67 112.74 1yj9 s ASP 59 Ca 0.00 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 52.60 1yj9 s ASP 59 Cb 0.00 0.24 -0.09 0.00 1.01 0.00 0.00 42.92 44.07 1yj9 s ASP 59 CO 0.00 -0.51 0.76 -0.75 0.21 0.00 0.00 175.17 174.88 1yj9 s LYS 60 N -2.55 4.05 0.36 8.23 2.47 -1.26 -4.96 119.74 126.08 1yj9 s LYS 60 Ca -0.05 0.74 0.14 0.00 -1.56 0.00 0.00 55.97 55.24 1yj9 s LYS 60 Cb -0.01 -2.43 0.98 0.00 -1.46 0.00 0.00 37.83 34.90 1yj9 s LYS 60 CO -0.04 0.15 1.77 -1.00 0.16 0.00 0.00 175.35 176.39 1yj9 h PRO 61 N 2.30 0.50 -4.37 4.03 0.13 -2.06 -3.40 132.00 129.12 1yj9 h PRO 61 Ca -0.48 -0.03 -0.33 0.00 -0.87 0.00 0.00 66.00 64.29 1yj9 h PRO 61 Cb 1.18 -0.11 -0.28 0.00 0.13 0.00 0.00 31.00 31.92 1yj9 h PRO 61 CO 0.65 0.33 -0.75 0.99 -0.23 0.00 0.00 178.00 178.98 1yj9 s THR 62 N -5.62 0.45 0.41 1.56 2.01 -1.26 -5.02 115.64 108.17 1yj9 s THR 62 Ca -0.10 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1yj9 s THR 62 Cb 0.25 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1yj9 s THR 62 CO 0.80 0.08 0.62 -0.54 -0.69 0.00 0.00 174.62 174.88 1yj9 s LYS 63 N -0.27 3.18 0.69 4.92 -0.14 -1.26 -4.86 119.74 121.99 1yj9 s LYS 63 Ca 0.01 -0.51 -0.04 0.00 -1.36 0.00 0.00 55.97 54.07 1yj9 s LYS 63 Cb -0.03 -2.62 0.08 0.00 -1.68 0.00 0.00 37.83 33.59 1yj9 s LYS 63 CO -0.00 -0.12 0.97 0.15 -0.76 0.00 0.00 175.35 175.58 1yj9 s LYS 64 N -4.45 2.01 -0.29 1.68 1.02 -1.26 -1.65 119.74 116.80 1yj9 s LYS 64 Ca 0.46 -0.66 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 1yj9 s LYS 64 Cb -0.10 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1yj9 s LYS 64 CO 0.37 -1.26 1.10 0.99 -0.92 0.00 0.00 175.35 175.63 1yj9 s THR 65 N -3.14 4.51 -0.88 2.17 2.01 -1.04 -4.82 115.64 114.45 1yj9 s THR 65 Ca 0.62 1.76 0.00 0.00 0.31 0.00 0.00 61.69 64.39 1yj9 s THR 65 Cb -0.08 -4.34 0.27 0.00 0.01 0.00 0.00 72.50 68.35 1yj9 s THR 65 CO 0.44 -0.38 1.04 -0.67 -0.69 0.00 0.00 174.62 174.35 1yj9 n ASP 66 N 6.78 4.90 -4.89 3.53 2.03 -1.26 -4.21 116.55 123.44 1yj9 n ASP 66 Ca 0.12 -3.35 -0.21 0.00 0.52 0.00 0.00 54.79 51.87 1yj9 n ASP 66 Cb 0.47 -1.00 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 1yj9 n ASP 66 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1yj9 s LEU 67 N -2.31 3.75 -0.05 -2.67 1.43 -1.26 -1.47 118.68 116.10 1yj9 s LEU 67 Ca 0.33 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1yj9 s LEU 67 Cb 0.05 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1yj9 s LEU 67 CO 0.00 -0.32 -0.20 -0.54 0.23 0.00 0.00 176.35 175.53 1yj9 s LYS 68 N -4.02 2.01 -0.33 1.70 1.02 -0.11 -4.61 119.74 115.40 1yj9 s LYS 68 Ca 0.40 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.64 1yj9 s LYS 68 Cb -0.07 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.55 1yj9 s LYS 68 CO 0.27 0.30 0.07 0.71 -0.92 0.00 0.00 175.35 175.78 1yj9 s TYR 69 N -0.05 3.28 -0.23 3.18 1.51 -0.53 -2.28 117.35 122.23 1yj9 s TYR 69 Ca -0.03 -1.66 -0.14 0.00 -1.01 0.00 0.00 57.07 54.23 1yj9 s TYR 69 Cb -0.12 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1yj9 s TYR 69 CO 0.02 -0.77 0.34 1.03 -1.11 0.00 0.00 175.55 175.06 1yj9 s ARG 70 N 1.33 4.11 -0.24 -0.62 0.52 0.49 -0.85 118.95 123.69 1yj9 s ARG 70 Ca -0.02 0.06 -0.29 0.00 -0.52 0.00 0.00 55.73 54.95 1yj9 s ARG 70 Cb -0.20 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.71 1yj9 s ARG 70 CO 0.01 -0.07 1.16 0.00 0.02 0.00 0.00 175.30 176.41 1yj9 h GLY 72 N 9.91 1.08 0.00 0.00 0.00 -0.41 0.33 103.07 113.98 1yj9 h GLY 72 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1yj9 h GLY 72 CO 1.00 -0.22 0.00 -2.21 0.00 0.00 0.00 176.54 175.11 1yj9 n GLU 73 N -4.58 0.00 0.10 4.80 2.13 -1.26 -4.47 120.64 117.35 1yj9 n GLU 73 Ca 0.30 0.00 0.05 0.00 0.66 0.00 0.00 57.16 58.18 1yj9 n GLU 73 Cb 1.16 -0.13 0.29 0.00 0.27 0.00 0.00 31.44 33.03 1yj9 n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yj9 n GLY 75 N -1.32 0.26 3.85 0.00 0.00 0.11 -5.00 105.19 103.10 1yj9 n GLY 75 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1yj9 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yj9 s LYS 76 N -1.01 3.94 0.48 1.61 1.02 -1.26 -4.65 119.74 119.88 1yj9 s LYS 76 Ca 0.00 0.47 0.09 0.00 0.02 0.00 0.00 55.97 56.55 1yj9 s LYS 76 Cb 0.00 -2.77 0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1yj9 s LYS 76 CO 0.00 0.38 0.65 0.00 -0.92 0.00 0.00 175.35 175.45 1yj9 s ALA 77 N -1.65 4.59 0.03 5.17 0.00 -1.26 -1.60 121.76 127.04 1yj9 s ALA 77 Ca 0.43 -1.85 -0.25 0.00 0.00 0.00 0.00 51.96 50.29 1yj9 s ALA 77 Cb -0.13 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.51 1yj9 s ALA 77 CO 0.20 -0.50 0.58 -3.38 0.00 0.00 0.00 175.76 172.66 1yj9 s HIS 78 N -2.48 -0.52 0.24 0.00 -3.43 -0.03 -4.95 115.29 104.13 1yj9 s HIS 78 Ca 0.57 0.67 0.07 0.00 -0.80 0.00 0.00 55.06 55.57 1yj9 s HIS 78 Cb -0.08 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1yj9 s HIS 78 CO 0.35 -0.66 0.16 -0.51 -2.00 0.00 0.00 174.74 172.08 1yj9 s LEU 79 N -1.81 3.72 0.06 5.38 1.43 -1.26 -1.46 118.68 124.75 1yj9 s LEU 79 Ca -0.07 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1yj9 s LEU 79 Cb -0.01 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1yj9 s LEU 79 CO 0.01 -0.01 -0.06 -0.13 0.23 0.00 0.00 176.35 176.38 1yj9 s ARG 80 N -3.68 0.62 0.57 1.70 0.52 -1.26 -5.03 118.95 112.38 1yj9 s ARG 80 Ca 0.32 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 1yj9 s ARG 80 Cb -0.08 -0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.17 1yj9 s ARG 80 CO 0.24 -0.00 1.00 -1.91 0.02 0.00 0.00 175.30 174.65 1yj9 n GLU 81 N 0.83 1.03 -3.52 3.54 2.13 -1.26 -4.88 120.64 118.51 1yj9 n GLU 81 Ca -0.18 0.39 -0.23 0.00 0.66 0.00 0.00 57.16 57.79 1yj9 n GLU 81 Cb 0.57 -2.18 0.02 0.00 0.27 0.00 0.00 31.44 30.13 1yj9 n GLU 81 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1yj9 s GLY 82 N -1.14 2.10 -0.09 8.31 0.00 -1.26 -5.00 107.32 110.23 1yj9 s GLY 82 Ca 0.73 -1.63 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1yj9 s GLY 82 CO 0.49 -1.84 0.23 0.66 0.00 0.00 0.00 173.10 172.64 1yj9 s TRP 83 N -2.73 -0.29 0.16 1.90 -2.14 -1.26 -4.75 118.94 109.83 1yj9 s TRP 83 Ca 0.46 0.70 -0.32 0.00 2.66 0.00 0.00 56.10 59.60 1yj9 s TRP 83 Cb -0.04 0.05 -0.17 0.00 -3.10 0.00 0.00 33.47 30.21 1yj9 s TRP 83 CO 0.29 -0.19 0.87 0.54 -2.66 0.00 0.00 176.95 175.80 1yj9 n ARG 84 N 3.79 0.47 -3.30 3.25 1.74 -1.26 -2.51 116.66 118.83 1yj9 n ARG 84 Ca -0.21 0.17 0.03 0.00 -0.77 0.00 0.00 57.85 57.06 1yj9 n ARG 84 Cb 0.55 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1yj9 n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yj9 s ALA 85 N -0.56 -2.40 0.20 7.54 0.00 -0.66 -4.88 121.76 121.00 1yj9 s ALA 85 Ca 0.72 1.94 -0.16 0.00 0.00 0.00 0.00 51.96 54.46 1yj9 s ALA 85 Cb -0.96 -2.10 0.20 0.00 0.00 0.00 0.00 23.12 20.26 1yj9 s ALA 85 CO 0.56 -1.21 1.61 0.78 0.00 0.00 0.00 175.76 177.50 1yj9 h GLY 86 N 7.95 0.23 -3.77 0.00 0.00 -1.94 -3.41 103.07 102.14 1yj9 h GLY 86 Ca -0.20 0.31 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1yj9 h GLY 86 CO 0.15 -0.24 -0.59 0.50 0.00 0.00 0.00 176.54 176.36 1yj9 s ARG 87 N -6.14 0.58 -0.12 4.80 0.52 -1.26 -4.88 118.95 112.46 1yj9 s ARG 87 Ca -0.14 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.10 1yj9 s ARG 87 Cb 0.18 0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.91 1yj9 s ARG 87 CO 0.72 -0.13 0.06 -1.17 0.02 0.00 0.00 175.30 174.80 1yj9 s LEU 88 N -2.41 0.45 -0.11 2.53 2.96 -1.26 -1.62 118.68 119.22 1yj9 s LEU 88 Ca -0.01 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1yj9 s LEU 88 Cb 0.02 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 1yj9 s LEU 88 CO -0.07 -0.29 -0.09 -1.61 -1.32 0.00 0.00 176.35 172.97 1yj9 s GLU 89 N 2.08 3.19 0.24 1.98 8.01 -0.71 -4.99 118.70 128.50 1yj9 s GLU 89 Ca 0.03 -0.61 -0.14 0.00 0.01 0.00 0.00 54.97 54.27 1yj9 s GLU 89 Cb -0.14 -2.67 -0.08 0.00 -4.31 0.00 0.00 34.13 26.93 1yj9 s GLU 89 CO -0.06 0.39 0.63 -0.06 0.01 0.00 0.00 175.26 176.16 1yj9 s PHE 90 N -0.08 3.48 -0.41 1.61 0.40 -1.26 0.94 117.98 122.67 1yj9 s PHE 90 Ca -0.00 1.09 -0.09 0.00 -0.60 0.00 0.00 56.93 57.33 1yj9 s PHE 90 Cb -0.14 -2.42 0.08 0.00 0.51 0.00 0.00 43.02 41.06 1yj9 s PHE 90 CO 0.03 0.26 0.25 -0.65 0.70 0.00 0.00 175.22 175.81 1yj9 s GLN 91 N -2.56 2.56 0.00 0.44 -0.21 0.92 -4.81 119.66 116.00 1yj9 s GLN 91 Ca 0.47 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1yj9 s GLN 91 Cb -0.12 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1yj9 s GLN 91 CO 0.20 -0.95 0.00 0.39 -2.12 0.00 0.00 175.29 172.81