#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jk9 h ASN 4 N 0.00 0.00 0.00 8.00 -1.24 -2.01 -3.38 115.58 116.95 1jk9 h ASN 4 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1jk9 h ASN 4 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1jk9 h ASN 4 CO 0.00 0.58 0.19 -0.90 -1.29 0.00 0.00 177.43 176.01 1jk9 n ASP 5 N -3.67 0.00 -4.75 1.15 5.68 -1.26 -4.74 116.55 108.96 1jk9 n ASP 5 Ca -0.01 -1.00 -0.31 0.00 -0.50 0.00 0.00 54.79 52.98 1jk9 n ASP 5 Cb 0.62 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.53 1jk9 n ASP 5 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1jk9 s THR 6 N 1.99 4.40 0.03 2.12 -4.23 -1.25 -4.00 115.64 114.71 1jk9 s THR 6 Ca 0.00 -0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 59.63 1jk9 s THR 6 Cb 0.00 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1jk9 s THR 6 CO 0.00 0.15 0.19 -0.72 -0.54 0.00 0.00 174.62 173.70 1jk9 s TYR 7 N -1.34 0.05 -0.08 3.99 -0.85 0.71 -4.82 117.35 115.00 1jk9 s TYR 7 Ca 0.28 -0.23 -0.08 0.00 -0.52 0.00 0.00 57.07 56.51 1jk9 s TYR 7 Cb -0.12 -0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.14 1jk9 s TYR 7 CO 0.20 -0.40 0.20 -2.00 -1.52 0.00 0.00 175.55 172.04 1jk9 s GLU 8 N -2.28 3.55 0.04 -3.49 2.12 -1.26 -2.16 118.70 115.22 1jk9 s GLU 8 Ca -0.07 -0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.24 1jk9 s GLU 8 Cb -0.03 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1jk9 s GLU 8 CO -0.02 0.75 -0.05 0.00 -0.54 0.00 0.00 175.26 175.39 1jk9 s ALA 9 N -1.07 0.47 -0.08 6.30 0.00 0.03 -0.58 121.76 126.83 1jk9 s ALA 9 Ca 0.18 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.33 1jk9 s ALA 9 Cb -0.13 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1jk9 s ALA 9 CO 0.07 -0.14 -0.19 0.95 0.00 0.00 0.00 175.76 176.44 1jk9 s THR 10 N -2.07 1.68 -0.02 0.00 -4.23 -0.62 0.14 115.64 110.52 1jk9 s THR 10 Ca -0.07 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 1jk9 s THR 10 Cb -0.05 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 1jk9 s THR 10 CO -0.02 0.48 -0.21 -0.31 -0.54 0.00 0.00 174.62 174.02 1jk9 s TYR 11 N 0.38 1.85 -0.16 3.99 1.51 0.23 -1.00 117.35 124.14 1jk9 s TYR 11 Ca -0.15 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.39 1jk9 s TYR 11 Cb -0.16 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1jk9 s TYR 11 CO 0.06 -0.03 0.45 0.00 -1.11 0.00 0.00 175.55 174.92 1jk9 s ALA 12 N -0.48 3.52 -0.10 3.71 0.00 0.52 -0.41 121.76 128.52 1jk9 s ALA 12 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1jk9 s ALA 12 Cb -0.08 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1jk9 s ALA 12 CO -0.01 -0.17 0.24 0.42 0.00 0.00 0.00 175.76 176.24 1jk9 s ILE 13 N 1.03 -0.03 0.34 0.00 1.09 -1.22 -0.55 121.20 121.87 1jk9 s ILE 13 Ca 0.23 0.11 -0.29 0.00 -1.10 0.00 0.00 60.65 59.59 1jk9 s ILE 13 Cb -0.15 -0.36 -0.11 0.00 -1.06 0.00 0.00 42.46 40.78 1jk9 s ILE 13 CO 0.09 0.04 1.55 -0.81 -0.10 0.00 0.00 174.94 175.71 1jk9 n PRO 14 N 3.86 2.72 -1.32 2.79 -0.04 -1.26 -4.63 135.00 137.12 1jk9 n PRO 14 Ca -0.22 0.96 -0.01 0.00 -0.04 0.00 0.00 63.50 64.20 1jk9 n PRO 14 Cb 0.55 -2.72 -0.02 0.00 -0.04 0.00 0.00 33.50 31.26 1jk9 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jk9 n MET 15 N 1.29 0.03 -1.31 0.54 0.00 -1.26 -4.91 117.12 111.50 1jk9 n MET 15 Ca 0.05 -1.60 -0.32 0.00 0.00 0.00 0.00 57.70 55.83 1jk9 n MET 15 Cb 0.38 0.19 0.11 0.00 0.00 0.00 0.00 33.22 33.90 1jk9 n MET 15 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1jk9 n HIS 16 N 0.27 3.19 -4.35 3.17 8.25 -1.26 -4.53 115.22 119.95 1jk9 n HIS 16 Ca -0.08 -2.72 -0.29 0.00 -0.26 0.00 0.00 57.72 54.37 1jk9 n HIS 16 Cb 0.96 -1.32 -0.06 0.00 1.12 0.00 0.00 29.99 30.69 1jk9 n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jk9 h GLU 18 N 1.25 0.77 0.00 0.00 9.09 -2.05 -3.27 114.58 120.37 1jk9 h GLU 18 Ca -0.42 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1jk9 h GLU 18 Cb 1.29 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1jk9 h GLU 18 CO 0.69 0.51 0.00 0.09 0.05 0.00 0.00 179.01 180.35 1jk9 n ASN 19 N -4.75 1.07 -0.29 3.06 3.02 -1.26 -4.88 115.26 111.22 1jk9 n ASN 19 Ca 0.16 -1.39 -0.08 0.00 -0.03 0.00 0.00 54.58 53.25 1jk9 n ASN 19 Cb 0.36 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.46 1jk9 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jk9 h VAL 21 N 0.00 0.66 -0.93 0.00 2.07 -1.84 -2.32 116.25 113.89 1jk9 h VAL 21 Ca 0.11 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.80 1jk9 h VAL 21 Cb 0.29 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1jk9 h VAL 21 CO -0.65 0.00 0.59 0.78 0.02 0.00 0.00 177.57 178.31 1jk9 h ASN 22 N -0.07 0.64 0.42 0.57 2.35 -1.55 0.27 115.58 118.20 1jk9 h ASN 22 Ca 0.12 0.05 -0.13 0.00 -0.55 0.00 0.00 56.30 55.79 1jk9 h ASN 22 Cb 0.26 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1jk9 h ASN 22 CO -0.28 0.29 -0.57 0.44 -1.65 0.00 0.00 177.43 175.66 1jk9 h ASP 23 N 0.66 0.17 0.07 5.81 5.19 -0.77 0.89 116.42 128.44 1jk9 h ASP 23 Ca 0.48 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.80 1jk9 h ASP 23 Cb 0.86 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1jk9 h ASP 23 CO -0.24 0.71 -0.03 0.40 -3.12 0.00 0.00 179.24 176.95 1jk9 h ILE 24 N 0.12 1.22 -0.73 0.35 2.04 -0.59 0.42 117.51 120.34 1jk9 h ILE 24 Ca -0.00 -1.23 0.16 0.00 1.00 0.00 0.00 64.86 64.78 1jk9 h ILE 24 Cb 1.04 2.00 -0.11 0.00 -0.74 0.00 0.00 36.82 39.01 1jk9 h ILE 24 CO 0.08 0.30 0.16 0.11 0.00 0.00 0.00 178.15 178.80 1jk9 h LYS 25 N -0.68 0.25 0.15 2.37 1.57 -0.48 -1.02 116.57 118.73 1jk9 h LYS 25 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jk9 h LYS 25 Cb 0.56 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1jk9 h LYS 25 CO 0.02 0.17 -0.07 0.00 -0.57 0.00 0.00 179.45 178.99 1jk9 h ALA 26 N 1.60 -0.20 -0.68 3.86 0.00 -0.70 -1.96 119.26 121.18 1jk9 h ALA 26 Ca 0.41 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 55.38 1jk9 h ALA 26 Cb 0.69 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1jk9 h ALA 26 CO -0.51 -0.49 0.51 0.00 0.00 0.00 0.00 179.25 178.76 1jk9 n LEU 28 N -4.24 0.94 -0.40 0.00 4.77 -0.59 -4.66 117.00 112.82 1jk9 n LEU 28 Ca 0.13 -0.57 0.33 0.00 -0.03 0.00 0.00 56.01 55.87 1jk9 n LEU 28 Cb 0.77 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.48 1jk9 n LEU 28 CO 0.37 0.21 1.25 0.50 -1.33 0.00 0.00 177.39 178.39 1jk9 h LYS 29 N 0.45 0.17 -0.01 3.23 3.64 -0.62 0.53 116.57 123.96 1jk9 h LYS 29 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jk9 h LYS 29 Cb 0.41 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1jk9 h LYS 29 CO 0.00 0.11 -0.64 0.09 -2.27 0.00 0.00 179.45 176.75 1jk9 n ASN 30 N -4.59 1.39 -4.57 4.20 3.02 -1.26 -4.88 115.26 108.57 1jk9 n ASN 30 Ca 0.32 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 53.34 1jk9 n ASN 30 Cb 1.25 0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 40.99 1jk9 n ASN 30 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jk9 s VAL 31 N -2.72 3.40 0.54 2.41 1.01 0.17 -4.96 120.40 120.26 1jk9 s VAL 31 Ca 0.15 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 1jk9 s VAL 31 Cb 0.17 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1jk9 s VAL 31 CO 0.68 -0.70 1.28 -2.16 0.00 0.00 0.00 175.10 174.20 1jk9 s PRO 32 N 6.58 3.20 0.00 2.72 0.04 -1.26 -3.50 135.00 142.77 1jk9 s PRO 32 Ca 0.72 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1jk9 s PRO 32 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1jk9 s PRO 32 CO 0.25 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.63 1jk9 n GLY 33 N 0.63 0.26 3.53 0.56 0.00 -1.26 -4.85 105.19 104.06 1jk9 n GLY 33 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jk9 n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jk9 s ILE 34 N -2.00 5.04 0.11 -0.61 1.01 -1.23 -1.48 121.20 122.05 1jk9 s ILE 34 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1jk9 s ILE 34 Cb 0.00 -3.99 -0.22 0.00 0.01 0.00 0.00 42.46 38.26 1jk9 s ILE 34 CO 0.00 -0.30 1.24 0.78 0.00 0.00 0.00 174.94 176.66 1jk9 h ASN 35 N 8.59 0.52 -4.51 3.58 2.35 -1.06 -3.48 115.58 121.57 1jk9 h ASN 35 Ca -0.27 -0.46 0.08 0.00 -0.55 0.00 0.00 56.30 55.09 1jk9 h ASN 35 Cb 1.12 -0.16 -0.18 0.00 0.05 0.00 0.00 38.32 39.15 1jk9 h ASN 35 CO 0.78 1.29 0.47 -0.94 -1.65 0.00 0.00 177.43 177.38 1jk9 s SER 36 N -7.13 -0.41 -0.02 5.81 1.04 -1.01 -4.98 113.70 107.01 1jk9 s SER 36 Ca -0.05 0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.64 1jk9 s SER 36 Cb 0.08 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1jk9 s SER 36 CO 0.88 -0.54 -0.17 -0.76 0.98 0.00 0.00 173.24 173.63 1jk9 s LEU 37 N -1.88 2.02 -0.06 2.42 1.43 -1.26 -1.39 118.68 119.96 1jk9 s LEU 37 Ca 0.01 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1jk9 s LEU 37 Cb -0.01 -0.89 0.02 0.00 0.03 0.00 0.00 46.19 45.34 1jk9 s LEU 37 CO -0.03 0.21 -0.07 0.20 0.23 0.00 0.00 176.35 176.88 1jk9 s ASN 38 N -0.36 1.48 -0.31 2.29 0.01 0.12 -4.98 114.94 113.19 1jk9 s ASN 38 Ca 0.06 -0.21 -0.05 0.00 -0.71 0.00 0.00 52.86 51.95 1jk9 s ASN 38 Cb -0.07 -0.64 0.03 0.00 0.41 0.00 0.00 41.25 40.98 1jk9 s ASN 38 CO -0.00 -0.04 0.05 -0.36 -1.51 0.00 0.00 177.10 175.23 1jk9 s PHE 39 N 1.03 3.21 -1.08 2.20 0.40 -1.26 -0.92 117.98 121.55 1jk9 s PHE 39 Ca -0.09 -1.44 -0.13 0.00 -0.60 0.00 0.00 56.93 54.68 1jk9 s PHE 39 Cb -0.14 -2.20 0.21 0.00 0.51 0.00 0.00 43.02 41.40 1jk9 s PHE 39 CO -0.00 -0.71 1.18 0.34 0.70 0.00 0.00 175.22 176.72 1jk9 s ASP 40 N 1.38 7.07 0.45 1.36 -1.08 -0.71 -4.88 116.67 120.27 1jk9 s ASP 40 Ca -0.01 -3.07 0.18 0.00 -0.52 0.00 0.00 52.55 49.13 1jk9 s ASP 40 Cb -0.19 -2.30 1.13 0.00 -1.46 0.00 0.00 42.92 40.10 1jk9 s ASP 40 CO 0.01 -0.58 1.93 0.40 0.52 0.00 0.00 175.17 177.45 1jk9 h ILE 41 N 4.44 0.78 0.37 4.11 2.04 -1.95 -1.21 117.51 126.09 1jk9 h ILE 41 Ca 0.21 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1jk9 h ILE 41 Cb 0.92 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1jk9 h ILE 41 CO 1.07 0.06 -0.43 -0.08 0.00 0.00 0.00 178.15 178.77 1jk9 h GLU 42 N 0.32 -0.78 -0.46 2.37 4.57 -1.96 -2.54 114.58 116.11 1jk9 h GLU 42 Ca 0.35 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 1jk9 h GLU 42 Cb 0.90 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1jk9 h GLU 42 CO -0.09 -0.52 0.00 1.04 -1.18 0.00 0.00 179.01 178.26 1jk9 n GLN 43 N -4.98 2.07 -3.93 1.92 6.02 -1.12 -4.95 117.38 112.41 1jk9 n GLN 43 Ca -0.10 -1.35 -0.40 0.00 -0.01 0.00 0.00 57.00 55.15 1jk9 n GLN 43 Cb 0.38 -1.41 0.03 0.00 1.02 0.00 0.00 30.24 30.25 1jk9 n GLN 43 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1jk9 n GLN 44 N 0.50 -0.71 -4.31 -1.09 6.02 -0.48 -4.98 117.38 112.32 1jk9 n GLN 44 Ca 0.12 0.23 -0.18 0.00 -0.01 0.00 0.00 57.00 57.16 1jk9 n GLN 44 Cb 0.39 -3.22 -0.14 0.00 1.02 0.00 0.00 30.24 28.29 1jk9 n GLN 44 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jk9 s ILE 45 N -3.54 0.66 -0.28 5.09 1.01 -1.07 -3.38 121.20 119.69 1jk9 s ILE 45 Ca 0.46 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1jk9 s ILE 45 Cb -0.22 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.70 1jk9 s ILE 45 CO 0.93 0.14 0.03 -0.32 0.00 0.00 0.00 174.94 175.73 1jk9 s MET 46 N -0.31 2.93 -0.13 2.79 -2.45 0.45 -1.73 119.30 120.85 1jk9 s MET 46 Ca 0.02 -0.95 -0.19 0.00 -1.25 0.00 0.00 55.69 53.33 1jk9 s MET 46 Cb -0.04 -3.25 -0.04 0.00 1.25 0.00 0.00 34.83 32.75 1jk9 s MET 46 CO -0.00 -0.46 0.52 0.45 1.05 0.00 0.00 175.02 176.57 1jk9 s SER 47 N 1.42 6.69 -0.11 1.11 0.15 -0.10 -0.60 113.70 122.26 1jk9 s SER 47 Ca 0.01 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.50 1jk9 s SER 47 Cb -0.17 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1jk9 s SER 47 CO 0.00 -0.06 -0.15 -0.69 1.20 0.00 0.00 173.24 173.54 1jk9 s VAL 48 N 0.92 1.50 -0.24 4.45 1.01 0.36 -0.70 120.40 127.70 1jk9 s VAL 48 Ca 0.27 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1jk9 s VAL 48 Cb -0.15 -1.38 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1jk9 s VAL 48 CO 0.11 0.44 0.14 -0.70 0.00 0.00 0.00 175.10 175.09 1jk9 s GLU 49 N 1.03 3.97 0.07 2.72 2.56 -0.48 -0.79 118.70 127.78 1jk9 s GLU 49 Ca -0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 54.97 54.45 1jk9 s GLU 49 Cb -0.15 -3.49 0.05 0.00 2.00 0.00 0.00 34.13 32.54 1jk9 s GLU 49 CO -0.02 -0.01 0.65 -1.13 -0.56 0.00 0.00 175.26 174.19 1jk9 n SER 50 N 4.47 -0.94 -0.07 -1.70 3.41 -0.92 -0.35 113.62 117.52 1jk9 n SER 50 Ca -0.15 -1.43 0.04 0.00 -0.26 0.00 0.00 58.87 57.07 1jk9 n SER 50 Cb 0.52 1.51 0.06 0.00 -0.26 0.00 0.00 64.21 66.04 1jk9 n SER 50 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jk9 n SER 51 N -0.92 1.79 -4.91 4.04 3.41 -0.55 -0.21 113.62 116.28 1jk9 n SER 51 Ca -0.00 -2.37 -0.27 0.00 -0.26 0.00 0.00 58.87 55.97 1jk9 n SER 51 Cb 0.34 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1jk9 n SER 51 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jk9 s VAL 52 N -1.61 4.93 0.12 -3.33 1.01 -1.26 -4.97 120.40 115.29 1jk9 s VAL 52 Ca 0.13 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 1jk9 s VAL 52 Cb 0.12 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1jk9 s VAL 52 CO 0.01 -0.71 1.04 0.00 0.00 0.00 0.00 175.10 175.45 1jk9 s ALA 53 N -2.56 3.30 0.34 5.51 0.00 -1.26 -4.93 121.76 122.16 1jk9 s ALA 53 Ca 0.46 0.69 0.11 0.00 0.00 0.00 0.00 51.96 53.22 1jk9 s ALA 53 Cb -0.10 -3.33 0.92 0.00 0.00 0.00 0.00 23.12 20.60 1jk9 s ALA 53 CO 0.40 -0.16 1.75 -1.35 0.00 0.00 0.00 175.76 176.40 1jk9 h PRO 54 N 5.69 0.55 -0.54 0.00 0.11 -1.96 0.20 132.00 136.05 1jk9 h PRO 54 Ca -0.43 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.72 1jk9 h PRO 54 Cb 1.21 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 1jk9 h PRO 54 CO 0.73 0.36 0.20 0.66 -0.21 0.00 0.00 178.00 179.75 1jk9 h SER 55 N 0.57 0.22 -0.25 -2.05 4.64 -1.95 0.06 113.55 114.79 1jk9 h SER 55 Ca 0.62 0.06 0.06 0.00 -0.47 0.00 0.00 61.79 62.06 1jk9 h SER 55 Cb 1.24 0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1jk9 h SER 55 CO -0.41 0.15 -0.18 0.74 -0.87 0.00 0.00 176.83 176.25 1jk9 h THR 56 N 0.39 0.50 0.33 2.95 2.02 -0.99 0.81 112.91 118.92 1jk9 h THR 56 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1jk9 h THR 56 Cb 0.28 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1jk9 h THR 56 CO -0.26 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 175.81 1jk9 h ILE 57 N -0.17 0.53 -0.94 3.11 1.08 -1.12 0.20 117.51 120.20 1jk9 h ILE 57 Ca 0.14 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.63 1jk9 h ILE 57 Cb 0.38 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.61 1jk9 h ILE 57 CO -0.35 0.00 0.62 0.40 -0.69 0.00 0.00 178.15 178.13 1jk9 h ILE 58 N -0.54 1.21 0.07 -0.67 2.04 -0.45 -2.56 117.51 116.60 1jk9 h ILE 58 Ca -0.03 -0.42 -0.22 0.00 1.00 0.00 0.00 64.86 65.18 1jk9 h ILE 58 Cb 0.46 -0.13 0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1jk9 h ILE 58 CO 0.02 0.22 -0.91 0.78 0.00 0.00 0.00 178.15 178.26 1jk9 h ASN 59 N 1.23 0.69 -0.86 1.72 2.35 0.78 -2.26 115.58 119.24 1jk9 h ASN 59 Ca 0.36 -0.82 0.13 0.00 -0.55 0.00 0.00 56.30 55.43 1jk9 h ASN 59 Cb -0.08 -0.21 -0.09 0.00 0.05 0.00 0.00 38.32 37.99 1jk9 h ASN 59 CO -0.09 1.43 0.46 0.74 -1.65 0.00 0.00 177.43 178.32 1jk9 h THR 60 N 0.04 0.78 -0.36 2.81 2.02 -0.51 0.16 112.91 117.84 1jk9 h THR 60 Ca -0.13 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.68 1jk9 h THR 60 Cb 1.63 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1jk9 h THR 60 CO 0.18 0.13 -0.30 -0.07 0.37 0.00 0.00 175.52 175.82 1jk9 h LEU 61 N 0.69 0.82 -0.57 2.58 3.38 -1.49 -3.14 115.31 117.59 1jk9 h LEU 61 Ca 0.45 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jk9 h LEU 61 Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1jk9 h LEU 61 CO -0.33 1.06 0.37 -0.09 0.09 0.00 0.00 178.44 179.55 1jk9 h ARG 62 N 0.67 0.75 -0.20 1.13 2.43 -0.39 0.39 114.38 119.17 1jk9 h ARG 62 Ca 0.08 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1jk9 h ARG 62 Cb 0.84 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1jk9 h ARG 62 CO 0.07 0.50 0.00 0.09 -1.51 0.00 0.00 179.97 179.12 1jk9 n ASN 63 N -4.69 0.20 -0.40 -3.80 3.02 -0.50 -0.51 115.26 108.60 1jk9 n ASN 63 Ca 0.04 -1.04 0.02 0.00 -0.03 0.00 0.00 54.58 53.57 1jk9 n ASN 63 Cb 0.02 -0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1jk9 n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jk9 n GLY 65 N -0.35 1.65 3.70 0.00 0.00 0.34 -4.94 105.19 105.58 1jk9 n GLY 65 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1jk9 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s LYS 66 N 0.00 4.20 -0.33 1.61 -0.14 -0.92 -4.89 119.74 119.27 1jk9 s LYS 66 Ca 0.00 2.35 -0.06 0.00 -1.36 0.00 0.00 55.97 56.90 1jk9 s LYS 66 Cb 0.00 -3.50 0.03 0.00 -1.68 0.00 0.00 37.83 32.68 1jk9 s LYS 66 CO 0.00 -0.71 0.09 0.34 -0.76 0.00 0.00 175.35 174.31 1jk9 s ASP 67 N 2.15 5.23 0.01 2.83 3.68 -1.26 -2.80 116.67 126.50 1jk9 s ASP 67 Ca 0.73 -1.04 0.01 0.00 2.13 0.00 0.00 52.55 54.38 1jk9 s ASP 67 Cb -0.41 -1.86 -0.04 0.00 -1.45 0.00 0.00 42.92 39.16 1jk9 s ASP 67 CO 0.32 -0.29 0.04 0.00 0.13 0.00 0.00 175.17 175.37 1jk9 s ALA 68 N 1.42 3.43 -0.23 3.66 0.00 -1.26 -4.56 121.76 124.21 1jk9 s ALA 68 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1jk9 s ALA 68 Cb -0.19 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.55 1jk9 s ALA 68 CO 0.02 0.67 -0.09 0.42 0.00 0.00 0.00 175.76 176.79 1jk9 s ILE 69 N -1.16 1.76 0.32 0.00 1.01 0.29 -4.92 121.20 118.51 1jk9 s ILE 69 Ca 0.22 -1.28 -0.29 0.00 0.00 0.00 0.00 60.65 59.30 1jk9 s ILE 69 Cb -0.12 -1.92 -0.11 0.00 0.01 0.00 0.00 42.46 40.32 1jk9 s ILE 69 CO 0.13 0.01 1.56 0.00 0.00 0.00 0.00 174.94 176.64 1jk9 n ILE 70 N 4.60 1.37 0.00 2.92 3.06 -1.26 -0.35 119.36 129.70 1jk9 n ILE 70 Ca -0.14 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.77 1jk9 n ILE 70 Cb 0.44 -1.97 0.00 0.00 0.54 0.00 0.00 39.64 38.65 1jk9 n ILE 70 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1jk9 n ARG 71 N 1.55 5.34 -3.62 9.51 1.74 -0.17 -4.86 116.66 126.15 1jk9 n ARG 71 Ca 0.06 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.10 1jk9 n ARG 71 Cb 0.37 -0.48 -0.03 0.00 -1.02 0.00 0.00 32.46 31.30 1jk9 n ARG 71 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jk9 s GLY 72 N -0.94 -0.10 -0.27 -0.13 0.00 -1.20 -4.72 107.32 99.96 1jk9 s GLY 72 Ca 0.00 2.26 -0.11 0.00 0.00 0.00 0.00 44.72 46.87 1jk9 s GLY 72 CO 0.00 0.87 0.61 0.00 0.00 0.00 0.00 173.10 174.58 1jk9 s ALA 73 N -1.56 -1.78 0.00 3.20 0.00 -1.02 -1.59 121.76 119.01 1jk9 s ALA 73 Ca 0.08 2.18 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1jk9 s ALA 73 Cb -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1jk9 s ALA 73 CO -0.05 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1jk9 n GLY 74 N 5.02 -0.86 3.71 0.00 0.00 0.25 -4.04 105.19 109.26 1jk9 n GLY 74 Ca -0.15 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 1jk9 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 s LYS 75 N -1.38 1.56 0.40 1.61 -0.14 -1.26 -1.09 119.74 119.44 1jk9 s LYS 75 Ca 0.00 1.42 -0.27 0.00 -1.36 0.00 0.00 55.97 55.77 1jk9 s LYS 75 Cb 0.00 -1.80 -0.09 0.00 -1.68 0.00 0.00 37.83 34.26 1jk9 s LYS 75 CO 0.00 -2.21 1.39 -1.25 -0.76 0.00 0.00 175.35 172.52 1jk9 s PRO 76 N -4.69 3.97 -1.18 -1.68 0.04 -1.26 -2.02 135.00 128.17 1jk9 s PRO 76 Ca 0.65 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1jk9 s PRO 76 Cb -0.21 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1jk9 s PRO 76 CO 0.56 -0.56 0.00 0.09 0.04 0.00 0.00 177.00 177.13 1jk9 n ASN 77 N 0.20 -4.31 -0.14 6.66 3.02 -1.26 -4.88 115.26 114.55 1jk9 n ASN 77 Ca 0.03 0.26 0.05 0.00 -0.03 0.00 0.00 54.58 54.89 1jk9 n ASN 77 Cb 0.42 -2.85 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 1jk9 n ASN 77 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jk9 n SER 78 N 0.16 0.93 -4.34 6.41 3.41 -0.86 -4.76 113.62 114.58 1jk9 n SER 78 Ca -0.11 -0.97 -0.23 0.00 -0.26 0.00 0.00 58.87 57.30 1jk9 n SER 78 Cb 0.38 0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 64.92 1jk9 n SER 78 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jk9 s SER 79 N -1.66 2.76 0.11 4.04 1.04 -1.26 -0.62 113.70 118.11 1jk9 s SER 79 Ca 0.07 -0.85 -0.08 0.00 0.48 0.00 0.00 55.95 55.57 1jk9 s SER 79 Cb 0.08 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1jk9 s SER 79 CO 0.34 -0.01 0.19 0.00 0.98 0.00 0.00 173.24 174.74 1jk9 s ALA 80 N -1.94 -0.00 0.02 5.32 0.00 -0.02 -2.56 121.76 122.57 1jk9 s ALA 80 Ca 0.16 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1jk9 s ALA 80 Cb -0.06 0.63 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 1jk9 s ALA 80 CO 0.07 -0.54 -0.05 0.08 0.00 0.00 0.00 175.76 175.31 1jk9 s VAL 81 N -3.92 0.38 -0.18 0.00 1.01 -0.10 0.02 120.40 117.60 1jk9 s VAL 81 Ca 0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1jk9 s VAL 81 Cb 0.05 -0.41 0.06 0.00 0.00 0.00 0.00 36.38 36.08 1jk9 s VAL 81 CO -0.06 -0.22 0.09 0.00 0.00 0.00 0.00 175.10 174.91 1jk9 s ALA 82 N -0.89 0.48 -0.10 5.51 0.00 0.82 -0.51 121.76 127.05 1jk9 s ALA 82 Ca -0.07 -0.40 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 1jk9 s ALA 82 Cb -0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1jk9 s ALA 82 CO -0.00 -1.22 0.83 0.42 0.00 0.00 0.00 175.76 175.79 1jk9 s ILE 83 N 2.12 4.93 -0.35 0.00 1.01 -1.26 -0.98 121.20 126.66 1jk9 s ILE 83 Ca 0.03 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.21 1jk9 s ILE 83 Cb -0.16 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 1jk9 s ILE 83 CO -0.12 0.12 0.30 -0.76 0.00 0.00 0.00 174.94 174.48 1jk9 s LEU 84 N 1.51 4.59 0.18 2.97 1.43 0.13 -3.67 118.68 125.82 1jk9 s LEU 84 Ca 0.41 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1jk9 s LEU 84 Cb -0.18 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1jk9 s LEU 84 CO 0.17 -0.31 -0.20 -1.61 0.23 0.00 0.00 176.35 174.63 1jk9 s GLU 85 N 1.83 1.34 0.57 1.70 2.02 0.40 0.01 118.70 126.58 1jk9 s GLU 85 Ca 0.08 -1.45 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1jk9 s GLU 85 Cb -0.17 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 1jk9 s GLU 85 CO 0.11 0.30 0.96 0.95 0.02 0.00 0.00 175.26 177.60 1jk9 s THR 86 N -1.97 4.75 -0.30 3.63 -4.23 -0.17 -0.32 115.64 117.02 1jk9 s THR 86 Ca 0.17 0.73 0.08 0.00 -1.18 0.00 0.00 61.69 61.49 1jk9 s THR 86 Cb -0.06 -3.85 0.20 0.00 1.34 0.00 0.00 72.50 70.13 1jk9 s THR 86 CO 0.08 -1.01 1.15 0.49 -0.54 0.00 0.00 174.62 174.78 1jk9 n PHE 87 N -2.48 0.24 -3.63 3.99 3.01 -1.26 -4.92 117.46 112.41 1jk9 n PHE 87 Ca 0.05 -0.63 -0.08 0.00 1.01 0.00 0.00 57.45 57.79 1jk9 n PHE 87 Cb 0.54 -0.09 -0.02 0.00 -0.01 0.00 0.00 39.48 39.90 1jk9 n PHE 87 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1jk9 s GLN 88 N -1.55 1.27 -0.11 -1.08 -2.07 -1.26 -4.89 119.66 109.97 1jk9 s GLN 88 Ca 0.17 -0.60 -0.09 0.00 -1.82 0.00 0.00 55.36 53.02 1jk9 s GLN 88 Cb 0.12 0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 32.50 1jk9 s GLN 88 CO 0.06 -0.57 0.19 0.21 -1.32 0.00 0.00 175.29 173.85 1jk9 s LYS 89 N -3.52 3.57 0.17 9.60 2.47 -1.26 -5.09 119.74 125.69 1jk9 s LYS 89 Ca 0.07 -0.04 0.06 0.00 -1.56 0.00 0.00 55.97 54.50 1jk9 s LYS 89 Cb -0.02 -3.21 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 1jk9 s LYS 89 CO -0.03 0.73 0.10 0.71 0.16 0.00 0.00 175.35 177.02 1jk9 s TYR 90 N -0.94 3.06 0.45 4.03 1.51 -1.26 -5.00 117.35 119.20 1jk9 s TYR 90 Ca 0.16 -0.06 0.12 0.00 -1.01 0.00 0.00 57.07 56.29 1jk9 s TYR 90 Cb -0.13 -1.47 1.04 0.00 -0.11 0.00 0.00 41.96 41.30 1jk9 s TYR 90 CO 0.05 0.52 2.05 1.15 -1.11 0.00 0.00 175.55 178.21 1jk9 h THR 91 N 2.12 0.99 0.00 -0.71 2.02 -1.98 -1.43 112.91 113.91 1jk9 h THR 91 Ca -0.47 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1jk9 h THR 91 Cb 1.20 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1jk9 h THR 91 CO 0.62 0.06 0.00 0.16 0.37 0.00 0.00 175.52 176.73 1jk9 h ILE 92 N 0.35 0.00 -3.88 3.11 3.07 -1.95 -3.46 117.51 114.76 1jk9 h ILE 92 Ca 0.17 -0.52 -0.44 0.00 1.55 0.00 0.00 64.86 65.62 1jk9 h ILE 92 Cb 0.22 1.51 0.16 0.00 -0.27 0.00 0.00 36.82 38.45 1jk9 h ILE 92 CO -0.04 0.00 0.24 -1.81 -1.05 0.00 0.00 178.15 175.49 1jk9 s ASP 93 N -4.67 2.35 0.18 2.16 1.01 -0.54 -4.85 116.67 112.31 1jk9 s ASP 93 Ca 0.10 0.77 -0.04 0.00 0.71 0.00 0.00 52.55 54.10 1jk9 s ASP 93 Cb 0.12 -1.16 -0.05 0.00 1.01 0.00 0.00 42.92 42.83 1jk9 s ASP 93 CO 0.60 -3.25 0.41 -1.10 0.21 0.00 0.00 175.17 172.03 1jk9 s GLN 94 N -5.36 3.60 0.15 8.23 -0.21 -1.26 -4.94 119.66 119.86 1jk9 s GLN 94 Ca 0.68 -0.14 -0.17 0.00 0.02 0.00 0.00 55.36 55.75 1jk9 s GLN 94 Cb -0.12 -2.81 0.03 0.00 1.00 0.00 0.00 33.01 31.11 1jk9 s GLN 94 CO 0.55 0.41 1.75 0.87 -2.12 0.00 0.00 175.29 176.75 1jk9 h LYS 95 N 2.42 0.24 -0.83 2.91 6.56 -1.95 -3.15 116.57 122.77 1jk9 h LYS 95 Ca -0.47 -0.01 -0.23 0.00 -1.06 0.00 0.00 60.65 58.88 1jk9 h LYS 95 Cb 1.18 -0.05 -0.14 0.00 -0.57 0.00 0.00 32.23 32.64 1jk9 h LYS 95 CO 0.70 0.16 0.30 0.36 -2.06 0.00 0.00 179.45 178.91 1jk9 n LYS 96 N -5.03 3.16 -2.19 3.15 0.00 -1.26 -4.99 118.16 110.99 1jk9 n LYS 96 Ca 0.00 -2.63 -0.30 0.00 -0.00 0.00 0.00 58.31 55.38 1jk9 n LYS 96 Cb 0.11 -2.08 0.00 0.00 -0.00 0.00 0.00 35.03 33.07 1jk9 n LYS 96 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1jk9 s ASP 97 N -0.82 6.26 0.03 -5.58 -1.08 -1.19 -5.10 116.67 109.19 1jk9 s ASP 97 Ca 0.48 1.23 0.00 0.00 -0.52 0.00 0.00 52.55 53.74 1jk9 s ASP 97 Cb 0.38 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 1jk9 s ASP 97 CO 0.11 -0.74 0.00 0.35 0.52 0.00 0.00 175.17 175.41 1jk9 n THR 98 N -2.50 0.00 0.48 1.71 -2.24 -1.26 -5.05 114.28 105.42 1jk9 n THR 98 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 1jk9 n THR 98 Cb 0.54 -1.23 0.01 0.00 -2.10 0.00 0.00 70.33 67.55 1jk9 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jk9 n ALA 99 N -3.00 2.82 -1.85 6.98 0.00 -1.26 -4.99 120.51 119.22 1jk9 n ALA 99 Ca 0.00 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.56 1jk9 n ALA 99 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 1jk9 n ALA 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jk9 s VAL 100 N -1.36 2.91 0.00 0.00 1.01 -1.26 -1.00 120.40 120.69 1jk9 s VAL 100 Ca 0.10 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1jk9 s VAL 100 Cb 0.09 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1jk9 s VAL 100 CO 0.25 0.17 0.00 0.54 0.00 0.00 0.00 175.10 176.06 1jk9 n ARG 101 N 1.55 4.35 -3.93 2.72 5.12 0.10 -4.92 116.66 121.65 1jk9 n ARG 101 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1jk9 n ARG 101 Cb 0.42 -0.64 0.01 0.00 -1.16 0.00 0.00 32.46 31.10 1jk9 n ARG 101 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1jk9 s GLY 102 N -0.55 -0.03 -0.05 -0.13 0.00 -0.84 -1.71 107.32 104.00 1jk9 s GLY 102 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.58 1jk9 s GLY 102 CO 0.00 3.98 0.14 -2.27 0.00 0.00 0.00 173.10 174.95 1jk9 s LEU 103 N -3.59 1.30 -0.26 0.66 2.96 0.20 0.21 118.68 120.15 1jk9 s LEU 103 Ca 0.25 0.28 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1jk9 s LEU 103 Cb -0.01 0.44 0.05 0.00 0.50 0.00 0.00 46.19 47.17 1jk9 s LEU 103 CO 0.02 -0.07 -0.09 0.00 -1.32 0.00 0.00 176.35 174.89 1jk9 s ALA 104 N 0.34 2.62 -0.30 5.97 0.00 -0.15 -0.91 121.76 129.33 1jk9 s ALA 104 Ca -0.02 -1.69 -0.08 0.00 0.00 0.00 0.00 51.96 50.17 1jk9 s ALA 104 Cb -0.03 -1.64 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1jk9 s ALA 104 CO -0.01 -1.10 0.12 0.50 0.00 0.00 0.00 175.76 175.27 1jk9 s ARG 105 N 1.18 3.28 -0.13 0.00 3.52 -0.97 -0.13 118.95 125.69 1jk9 s ARG 105 Ca -0.06 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.74 1jk9 s ARG 105 Cb -0.19 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1jk9 s ARG 105 CO -0.05 -0.40 0.07 0.42 -0.81 0.00 0.00 175.30 174.53 1jk9 s ILE 106 N 1.57 4.91 -0.04 4.11 1.01 0.10 -1.70 121.20 131.18 1jk9 s ILE 106 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 1jk9 s ILE 106 Cb -0.17 -3.15 0.03 0.00 0.01 0.00 0.00 42.46 39.18 1jk9 s ILE 106 CO 0.05 0.56 0.06 -0.69 0.00 0.00 0.00 174.94 174.91 1jk9 s VAL 107 N -0.48 -0.10 -0.02 2.92 1.01 -0.84 -0.84 120.40 122.05 1jk9 s VAL 107 Ca 0.10 0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.13 1jk9 s VAL 107 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1jk9 s VAL 107 CO 0.02 0.13 0.86 -1.58 0.00 0.00 0.00 175.10 174.53 1jk9 s GLN 108 N 1.67 4.51 0.00 2.72 0.74 0.21 0.10 119.66 129.61 1jk9 s GLN 108 Ca -0.02 1.19 0.00 0.00 0.05 0.00 0.00 55.36 56.59 1jk9 s GLN 108 Cb -0.12 -3.45 -0.00 0.00 1.10 0.00 0.00 33.01 30.53 1jk9 s GLN 108 CO -0.03 0.01 0.08 1.33 -0.55 0.00 0.00 175.29 176.13 1jk9 n VAL 109 N 3.79 0.00 -3.95 1.34 0.24 -0.03 -4.91 118.33 114.82 1jk9 n VAL 109 Ca 0.03 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.75 1jk9 n VAL 109 Cb 0.51 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.80 1jk9 n VAL 109 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1jk9 s GLY 110 N -0.87 0.24 0.64 7.63 0.00 -0.70 -4.60 107.32 109.65 1jk9 s GLY 110 Ca 0.00 -0.82 0.24 0.00 0.00 0.00 0.00 44.72 44.14 1jk9 s GLY 110 CO 0.01 -0.97 1.67 -2.09 0.00 0.00 0.00 173.10 171.72 1jk9 h GLU 111 N 3.05 0.00 -0.50 2.90 4.81 -2.02 -2.77 114.58 120.04 1jk9 h GLU 111 Ca -0.34 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.61 1jk9 h GLU 111 Cb 1.18 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.36 1jk9 h GLU 111 CO 0.59 0.00 -0.61 -1.71 -0.73 0.00 0.00 179.01 176.55 1jk9 n ASN 112 N -3.11 -2.39 -3.20 1.04 4.05 -1.26 -4.88 115.26 105.52 1jk9 n ASN 112 Ca 0.05 -3.14 0.04 0.00 0.45 0.00 0.00 54.58 51.97 1jk9 n ASN 112 Cb 0.72 1.35 -0.04 0.00 1.23 0.00 0.00 39.78 43.05 1jk9 n ASN 112 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1jk9 s LYS 113 N 0.38 0.06 0.11 1.20 2.20 -1.05 -4.52 119.74 118.14 1jk9 s LYS 113 Ca 0.32 0.16 0.10 0.00 -0.36 0.00 0.00 55.97 56.19 1jk9 s LYS 113 Cb 0.19 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 1jk9 s LYS 113 CO -0.20 -0.03 -0.25 0.95 -0.36 0.00 0.00 175.35 175.46 1jk9 s THR 114 N 2.24 2.05 0.13 3.43 -4.23 -0.02 -0.85 115.64 118.39 1jk9 s THR 114 Ca -0.01 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1jk9 s THR 114 Cb -0.02 -1.82 -0.06 0.00 1.34 0.00 0.00 72.50 71.93 1jk9 s THR 114 CO -0.15 0.05 0.39 -0.76 -0.54 0.00 0.00 174.62 173.61 1jk9 s LEU 115 N -1.95 4.28 -0.24 4.79 1.43 0.12 -1.71 118.68 125.40 1jk9 s LEU 115 Ca 0.11 0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1jk9 s LEU 115 Cb -0.10 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.95 1jk9 s LEU 115 CO 0.05 0.08 0.01 -0.36 0.23 0.00 0.00 176.35 176.36 1jk9 s PHE 116 N -1.60 1.91 -0.88 0.29 0.40 -0.35 -1.99 117.98 115.77 1jk9 s PHE 116 Ca 0.39 -1.54 -0.17 0.00 -0.60 0.00 0.00 56.93 55.01 1jk9 s PHE 116 Cb -0.12 -1.50 0.17 0.00 0.51 0.00 0.00 43.02 42.07 1jk9 s PHE 116 CO 0.23 -0.75 0.97 0.34 0.70 0.00 0.00 175.22 176.70 1jk9 s ASP 117 N 1.55 6.68 -0.23 1.36 2.15 -0.69 -1.68 116.67 125.82 1jk9 s ASP 117 Ca -0.01 -2.31 -0.16 0.00 0.43 0.00 0.00 52.55 50.50 1jk9 s ASP 117 Cb -0.18 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 1jk9 s ASP 117 CO -0.10 -0.86 0.43 -0.63 -0.17 0.00 0.00 175.17 173.84 1jk9 s ILE 118 N 1.61 5.16 -0.02 4.11 1.01 -0.76 -2.30 121.20 130.01 1jk9 s ILE 118 Ca 0.26 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1jk9 s ILE 118 Cb -0.07 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1jk9 s ILE 118 CO -0.09 0.19 -0.17 -0.89 0.00 0.00 0.00 174.94 173.98 1jk9 s THR 119 N 1.74 1.35 -0.08 2.92 2.01 -0.09 -1.08 115.64 122.42 1jk9 s THR 119 Ca 0.19 -0.73 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1jk9 s THR 119 Cb -0.15 -1.13 0.02 0.00 0.01 0.00 0.00 72.50 71.25 1jk9 s THR 119 CO 0.09 0.38 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 1jk9 s VAL 120 N -0.34 0.68 -0.19 3.82 1.01 -0.52 -0.63 120.40 124.23 1jk9 s VAL 120 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1jk9 s VAL 120 Cb -0.07 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.62 1jk9 s VAL 120 CO -0.00 0.29 -0.00 0.21 0.00 0.00 0.00 175.10 175.60 1jk9 s ASN 121 N 1.51 3.08 0.00 3.32 3.04 -0.69 -0.36 114.94 124.83 1jk9 s ASN 121 Ca -0.01 -0.85 0.00 0.00 0.04 0.00 0.00 52.86 52.04 1jk9 s ASN 121 Cb -0.13 -0.79 0.00 0.00 -1.54 0.00 0.00 41.25 38.79 1jk9 s ASN 121 CO -0.04 -0.26 0.00 0.61 -3.04 0.00 0.00 177.10 174.37 1jk9 n GLY 122 N 4.93 1.23 3.80 1.21 0.00 0.21 -4.77 105.19 111.80 1jk9 n GLY 122 Ca -0.10 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1jk9 n GLY 122 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jk9 s VAL 123 N -2.03 4.53 -0.01 1.61 -7.23 0.14 -4.69 120.40 112.73 1jk9 s VAL 123 Ca 0.00 1.41 0.25 0.00 -1.81 0.00 0.00 61.98 61.83 1jk9 s VAL 123 Cb 0.00 -3.96 0.27 0.00 0.56 0.00 0.00 36.38 33.25 1jk9 s VAL 123 CO 0.00 0.37 1.78 1.55 -0.31 0.00 0.00 175.10 178.49 1jk9 h PRO 124 N 3.92 0.00 -4.85 4.82 0.13 -1.88 0.72 132.00 134.85 1jk9 h PRO 124 Ca -0.48 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1jk9 h PRO 124 Cb 1.20 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.97 1jk9 h PRO 124 CO 0.65 0.17 -0.78 -2.00 -0.23 0.00 0.00 178.00 175.81 1jk9 s GLU 125 N -3.49 2.30 0.99 0.86 2.12 -1.26 -4.86 118.70 115.37 1jk9 s GLU 125 Ca 0.02 -1.32 -0.11 0.00 0.36 0.00 0.00 54.97 53.93 1jk9 s GLU 125 Cb 0.09 -2.96 0.19 0.00 0.26 0.00 0.00 34.13 31.71 1jk9 s GLU 125 CO 0.63 -0.58 1.10 0.00 -0.54 0.00 0.00 175.26 175.88 1jk9 n ALA 126 N 4.48 -1.43 0.00 6.30 0.00 -1.26 -4.94 120.51 123.66 1jk9 n ALA 126 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1jk9 n ALA 126 Cb 0.42 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1jk9 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jk9 n GLY 127 N 0.49 0.68 3.49 0.00 0.00 0.34 -5.02 105.19 105.18 1jk9 n GLY 127 Ca 0.09 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1jk9 n GLY 127 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jk9 s ASN 128 N -2.35 6.16 0.26 1.61 0.01 -1.26 -0.09 114.94 119.27 1jk9 s ASN 128 Ca 0.00 -0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1jk9 s ASN 128 Cb 0.00 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1jk9 s ASN 128 CO 0.00 -0.47 0.47 -0.31 -1.51 0.00 0.00 177.10 175.28 1jk9 s TYR 129 N 1.96 3.48 -0.12 2.20 1.51 -0.54 -4.83 117.35 121.01 1jk9 s TYR 129 Ca 0.10 0.43 0.03 0.00 -1.01 0.00 0.00 57.07 56.62 1jk9 s TYR 129 Cb -0.17 -1.93 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1jk9 s TYR 129 CO 0.12 0.27 -0.22 -1.01 -1.11 0.00 0.00 175.55 173.60 1jk9 s HIS 130 N -2.02 2.54 0.15 2.71 3.76 -0.45 -0.61 115.29 121.38 1jk9 s HIS 130 Ca 0.40 -1.19 -0.07 0.00 -0.15 0.00 0.00 55.06 54.06 1jk9 s HIS 130 Cb -0.11 -1.73 -0.06 0.00 1.11 0.00 0.00 32.58 31.80 1jk9 s HIS 130 CO 0.30 -0.53 0.42 0.00 -0.85 0.00 0.00 174.74 174.08 1jk9 s ALA 131 N 0.66 3.73 -0.06 -1.40 0.00 -1.26 -2.35 121.76 121.09 1jk9 s ALA 131 Ca -0.11 -0.47 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 1jk9 s ALA 131 Cb -0.16 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.84 1jk9 s ALA 131 CO 0.02 0.62 0.87 -1.54 0.00 0.00 0.00 175.76 175.73 1jk9 s SER 132 N -2.30 -0.44 -0.17 0.00 1.04 -0.60 -2.32 113.70 108.91 1jk9 s SER 132 Ca 0.41 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 1jk9 s SER 132 Cb -0.12 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1jk9 s SER 132 CO 0.23 -0.54 0.04 -0.63 0.98 0.00 0.00 173.24 173.31 1jk9 s ILE 133 N -2.09 4.57 0.20 -1.02 1.01 0.77 -1.24 121.20 123.40 1jk9 s ILE 133 Ca -0.01 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.55 1jk9 s ILE 133 Cb -0.01 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 1jk9 s ILE 133 CO -0.02 0.48 0.35 -1.00 0.00 0.00 0.00 174.94 174.75 1jk9 s HIS 134 N 0.31 3.48 0.19 3.97 3.76 -0.01 0.41 115.29 127.39 1jk9 s HIS 134 Ca 0.02 0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 1jk9 s HIS 134 Cb -0.13 -1.71 0.13 0.00 1.11 0.00 0.00 32.58 31.98 1jk9 s HIS 134 CO 0.01 0.43 1.58 1.49 -0.85 0.00 0.00 174.74 177.39 1jk9 h GLU 135 N 1.76 -0.14 -6.25 1.40 4.81 -0.98 -3.15 114.58 112.04 1jk9 h GLU 135 Ca -0.49 0.01 -0.58 0.00 -0.13 0.00 0.00 59.36 58.16 1jk9 h GLU 135 Cb 1.20 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 1jk9 h GLU 135 CO 0.66 -0.09 -0.60 0.15 -0.73 0.00 0.00 179.01 178.40 1jk9 s LYS 136 N -5.95 2.70 -0.64 1.92 3.01 -0.09 -4.74 119.74 115.95 1jk9 s LYS 136 Ca -0.14 -0.97 -0.00 0.00 -1.01 0.00 0.00 55.97 53.85 1jk9 s LYS 136 Cb 0.16 -2.53 0.43 0.00 -1.01 0.00 0.00 37.83 34.88 1jk9 s LYS 136 CO 0.69 0.47 1.88 0.41 0.51 0.00 0.00 175.35 179.31 1jk9 n GLY 137 N -0.26 5.89 3.30 -3.33 0.00 -1.11 -3.21 105.19 106.46 1jk9 n GLY 137 Ca -0.09 -2.41 -0.39 0.00 0.00 0.00 0.00 46.02 43.13 1jk9 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jk9 s ASP 138 N -2.00 5.45 -0.14 1.61 -1.08 -1.26 -4.85 116.67 114.40 1jk9 s ASP 138 Ca 0.60 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 1jk9 s ASP 138 Cb 0.48 -1.92 0.61 0.00 -1.46 0.00 0.00 42.92 40.63 1jk9 s ASP 138 CO -0.09 -0.35 1.52 1.33 0.52 0.00 0.00 175.17 178.10 1jk9 n VAL 139 N 4.87 2.01 -0.33 1.11 0.24 -1.26 -3.61 118.33 121.35 1jk9 n VAL 139 Ca -0.12 -1.42 0.11 0.00 -2.04 0.00 0.00 64.34 60.86 1jk9 n VAL 139 Cb 0.45 -0.00 0.32 0.00 -1.47 0.00 0.00 33.84 33.13 1jk9 n VAL 139 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1jk9 h SER 140 N 3.00 0.79 -0.65 -1.34 4.64 -1.92 -2.39 113.55 115.68 1jk9 h SER 140 Ca 0.00 0.06 -0.47 0.00 -0.47 0.00 0.00 61.79 60.91 1jk9 h SER 140 Cb 1.43 -0.09 -0.38 0.00 -0.31 0.00 0.00 62.40 63.04 1jk9 h SER 140 CO 0.24 0.37 -0.80 0.29 -0.87 0.00 0.00 176.83 176.05 1jk9 n LYS 141 N -4.64 3.28 0.00 4.77 5.02 -1.26 -5.04 118.16 120.28 1jk9 n LYS 141 Ca 0.20 -4.03 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 1jk9 n LYS 141 Cb 0.48 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1jk9 n LYS 141 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jk9 n GLY 142 N -0.74 0.50 0.29 0.72 0.00 -0.90 -2.96 105.19 102.09 1jk9 n GLY 142 Ca 0.39 -0.83 0.19 0.00 0.00 0.00 0.00 46.02 45.77 1jk9 n GLY 142 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1jk9 h VAL 143 N 0.00 0.00 -0.32 1.61 -1.51 -1.90 -2.62 116.25 111.51 1jk9 h VAL 143 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.39 1jk9 h VAL 143 Cb 0.00 0.82 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1jk9 h VAL 143 CO 0.00 0.00 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.15 1jk9 h GLU 144 N 0.00 0.65 0.00 5.19 4.81 -1.90 -3.00 114.58 120.33 1jk9 h GLU 144 Ca 0.00 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1jk9 h GLU 144 Cb 0.05 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1jk9 h GLU 144 CO 0.00 0.84 0.00 -1.13 -0.73 0.00 0.00 179.01 177.99 1jk9 n SER 145 N -4.41 0.00 -0.79 1.04 3.41 -0.99 -3.46 113.62 108.43 1jk9 n SER 145 Ca -0.03 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.48 1jk9 n SER 145 Cb 0.36 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.58 1jk9 n SER 145 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jk9 n THR 146 N -0.70 0.05 -3.06 6.66 -2.24 -1.13 -4.43 114.28 109.43 1jk9 n THR 146 Ca 0.07 -0.42 0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1jk9 n THR 146 Cb 0.03 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 1jk9 n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jk9 n GLY 147 N 1.29 -1.68 3.73 3.38 0.00 -1.22 -0.91 105.19 109.77 1jk9 n GLY 147 Ca 0.16 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1jk9 n GLY 147 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jk9 s LYS 148 N -0.70 1.53 0.33 1.61 -2.85 -1.26 -4.49 119.74 113.91 1jk9 s LYS 148 Ca 0.00 0.98 -0.29 0.00 -1.00 0.00 0.00 55.97 55.66 1jk9 s LYS 148 Cb 0.00 -1.83 -0.11 0.00 -2.06 0.00 0.00 37.83 33.83 1jk9 s LYS 148 CO 0.00 -2.10 1.51 0.08 0.10 0.00 0.00 175.35 174.95 1jk9 s VAL 149 N -2.90 2.14 -0.21 1.79 1.01 -1.26 -0.88 120.40 120.10 1jk9 s VAL 149 Ca 0.63 0.13 0.12 0.00 0.00 0.00 0.00 61.98 62.86 1jk9 s VAL 149 Cb -0.18 -3.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.90 1jk9 s VAL 149 CO 0.57 0.03 -0.03 1.87 0.00 0.00 0.00 175.10 177.53 1jk9 n TRP 150 N 1.30 0.00 -3.63 5.22 -0.00 0.17 -4.70 117.44 115.79 1jk9 n TRP 150 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.49 1jk9 n TRP 150 Cb 0.39 -0.95 -0.06 0.00 -0.00 0.00 0.00 31.31 30.68 1jk9 n TRP 150 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 1jk9 s HIS 151 N -2.48 -0.94 -0.22 5.87 5.04 -0.76 -4.98 115.29 116.83 1jk9 s HIS 151 Ca -0.18 1.84 -0.05 0.00 -1.54 0.00 0.00 55.06 55.13 1jk9 s HIS 151 Cb 0.07 0.56 -0.02 0.00 0.04 0.00 0.00 32.58 33.23 1jk9 s HIS 151 CO 0.71 -0.47 -0.00 0.21 -2.34 0.00 0.00 174.74 172.86 1jk9 s LYS 152 N 1.72 3.54 0.58 2.88 2.20 -1.26 -0.16 119.74 129.23 1jk9 s LYS 152 Ca -0.09 -0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 54.82 1jk9 s LYS 152 Cb -0.05 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.12 1jk9 s LYS 152 CO -0.18 -0.10 1.02 -0.06 -0.36 0.00 0.00 175.35 175.67 1jk9 s PHE 153 N 1.29 3.30 -0.19 4.03 0.40 -0.98 -5.00 117.98 120.83 1jk9 s PHE 153 Ca 0.04 1.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.87 1jk9 s PHE 153 Cb -0.15 -2.86 -0.15 0.00 0.51 0.00 0.00 43.02 40.38 1jk9 s PHE 153 CO 0.01 -0.74 -0.12 -0.25 0.70 0.00 0.00 175.22 174.81 1jk9 n ASP 154 N -2.08 2.03 -4.71 1.36 8.00 -1.26 -4.74 116.55 115.15 1jk9 n ASP 154 Ca 0.07 -0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 1jk9 n ASP 154 Cb 0.54 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1jk9 n ASP 154 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1jk9 s GLU 155 N -2.41 4.13 0.96 -1.24 8.01 -1.26 -4.95 118.70 121.94 1jk9 s GLU 155 Ca -0.23 2.61 -0.15 0.00 0.01 0.00 0.00 54.97 57.22 1jk9 s GLU 155 Cb 0.07 -3.21 0.18 0.00 -4.31 0.00 0.00 34.13 26.86 1jk9 s GLU 155 CO 0.52 -0.78 1.22 -2.14 0.01 0.00 0.00 175.26 174.10 1jk9 s PRO 156 N 1.58 0.72 -0.43 0.39 0.02 -1.26 -4.71 135.00 131.32 1jk9 s PRO 156 Ca 0.77 -0.10 0.03 0.00 0.02 0.00 0.00 61.00 61.71 1jk9 s PRO 156 Cb -0.49 -1.83 0.12 0.00 0.02 0.00 0.00 34.50 32.32 1jk9 s PRO 156 CO 0.33 -2.41 0.16 0.42 -0.33 0.00 0.00 177.00 175.18 1jk9 s ILE 157 N -3.56 2.57 -0.32 2.83 1.01 0.22 -4.88 121.20 119.07 1jk9 s ILE 157 Ca 0.69 -2.70 -0.29 0.00 0.00 0.00 0.00 60.65 58.36 1jk9 s ILE 157 Cb -0.09 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.54 1jk9 s ILE 157 CO 0.53 -0.69 1.69 -1.61 0.00 0.00 0.00 174.94 174.86 1jk9 s GLU 158 N 0.45 3.47 -0.78 2.79 2.02 -1.26 -1.47 118.70 123.92 1jk9 s GLU 158 Ca 0.13 1.39 -0.04 0.00 0.02 0.00 0.00 54.97 56.47 1jk9 s GLU 158 Cb -0.22 -4.13 0.20 0.00 0.10 0.00 0.00 34.13 30.08 1jk9 s GLU 158 CO -0.05 -1.69 0.65 0.00 0.02 0.00 0.00 175.26 174.19 1jk9 n PHE 160 N 3.01 0.00 -1.63 0.00 3.01 -1.09 -0.50 117.46 120.26 1jk9 n PHE 160 Ca 0.15 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.28 1jk9 n PHE 160 Cb 0.39 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.92 1jk9 n PHE 160 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1jk9 s ASN 161 N -0.56 4.80 0.26 4.37 0.01 -1.19 -4.83 114.94 117.80 1jk9 s ASN 161 Ca 0.00 2.08 -0.30 0.00 -0.71 0.00 0.00 52.86 53.93 1jk9 s ASN 161 Cb 0.00 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.01 1jk9 s ASN 161 CO 0.00 -1.84 1.04 -0.70 -1.51 0.00 0.00 177.10 174.09 1jk9 s GLU 162 N -4.11 4.71 0.03 -0.60 2.12 -1.26 -1.60 118.70 118.00 1jk9 s GLU 162 Ca 0.68 1.68 -0.18 0.00 0.36 0.00 0.00 54.97 57.52 1jk9 s GLU 162 Cb -0.22 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 1jk9 s GLU 162 CO 0.43 0.31 0.53 0.45 -0.54 0.00 0.00 175.26 176.44 1jk9 s SER 163 N -0.91 6.97 0.00 -1.70 0.15 -0.75 -4.63 113.70 112.83 1jk9 s SER 163 Ca 0.44 1.15 0.15 0.00 0.70 0.00 0.00 55.95 58.39 1jk9 s SER 163 Cb -0.30 -2.33 0.67 0.00 -1.71 0.00 0.00 66.02 62.35 1jk9 s SER 163 CO 0.37 0.25 1.48 -0.90 1.20 0.00 0.00 173.24 175.65 1jk9 n ASP 164 N 1.98 0.00 -0.06 5.45 5.75 -1.26 -3.27 116.55 125.14 1jk9 n ASP 164 Ca -0.11 0.45 -0.08 0.00 -0.01 0.00 0.00 54.79 55.04 1jk9 n ASP 164 Cb 0.51 -0.47 -0.07 0.00 -1.03 0.00 0.00 41.12 40.06 1jk9 n ASP 164 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1jk9 h LEU 165 N 0.00 0.00 -8.64 -2.12 3.38 -1.95 -3.47 115.31 102.51 1jk9 h LEU 165 Ca 0.00 -0.48 -0.55 0.00 0.09 0.00 0.00 57.88 56.95 1jk9 h LEU 165 Cb 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.78 1jk9 h LEU 165 CO 0.00 0.81 -0.82 -0.83 0.09 0.00 0.00 178.44 177.68 1jk9 s GLY 166 N -3.98 1.19 0.58 0.83 0.00 -1.20 -5.02 107.32 99.72 1jk9 s GLY 166 Ca -0.11 -1.21 0.31 0.00 0.00 0.00 0.00 44.72 43.71 1jk9 s GLY 166 CO 0.36 -1.20 2.22 0.50 0.00 0.00 0.00 173.10 174.98 1jk9 h LYS 167 N 4.17 0.00 -0.40 2.90 6.56 -1.92 -2.89 116.57 124.99 1jk9 h LYS 167 Ca -0.45 0.00 -0.30 0.00 -1.06 0.00 0.00 60.65 58.84 1jk9 h LYS 167 Cb 1.18 0.00 -0.33 0.00 -0.57 0.00 0.00 32.23 32.51 1jk9 h LYS 167 CO 0.40 0.03 -0.87 0.27 -2.06 0.00 0.00 179.45 177.22 1jk9 n ASN 168 N -3.72 2.81 -4.82 0.86 0.23 -1.26 -4.85 115.26 104.50 1jk9 n ASN 168 Ca -0.03 -3.07 -0.22 0.00 -0.53 0.00 0.00 54.58 50.73 1jk9 n ASN 168 Cb 0.12 -0.41 -0.04 0.00 -2.08 0.00 0.00 39.78 37.36 1jk9 n ASN 168 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1jk9 s LEU 169 N -3.07 3.38 0.22 -4.53 1.43 -1.09 -4.91 118.68 110.11 1jk9 s LEU 169 Ca 0.40 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1jk9 s LEU 169 Cb 0.37 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1jk9 s LEU 169 CO -0.03 -0.49 -0.03 -0.31 0.23 0.00 0.00 176.35 175.72 1jk9 s TYR 170 N -2.44 1.53 0.34 0.29 1.51 0.24 -1.81 117.35 117.02 1jk9 s TYR 170 Ca 0.43 -0.88 0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1jk9 s TYR 170 Cb -0.03 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1jk9 s TYR 170 CO 0.26 0.00 0.32 -1.54 -1.11 0.00 0.00 175.55 173.48 1jk9 s SER 171 N -3.29 1.61 -0.07 2.29 1.04 -0.62 0.67 113.70 115.33 1jk9 s SER 171 Ca 0.26 -1.73 -0.31 0.00 0.48 0.00 0.00 55.95 54.65 1jk9 s SER 171 Cb 0.05 0.59 0.13 0.00 0.10 0.00 0.00 66.02 66.88 1jk9 s SER 171 CO 0.07 -1.12 1.38 -0.83 0.98 0.00 0.00 173.24 173.72 1jk9 s GLY 172 N -3.36 -0.39 0.04 7.32 0.00 0.52 -2.67 107.32 108.78 1jk9 s GLY 172 Ca 0.39 0.65 -0.27 0.00 0.00 0.00 0.00 44.72 45.48 1jk9 s GLY 172 CO 0.27 2.06 0.68 -1.59 0.00 0.00 0.00 173.10 174.52 1jk9 s LYS 173 N -2.11 1.11 -0.28 2.90 -2.85 -1.26 -1.44 119.74 115.82 1jk9 s LYS 173 Ca 0.20 -0.12 -0.17 0.00 -1.00 0.00 0.00 55.97 54.87 1jk9 s LYS 173 Cb 0.05 0.52 0.08 0.00 -2.06 0.00 0.00 37.83 36.42 1jk9 s LYS 173 CO -0.05 -0.43 0.71 -0.08 0.10 0.00 0.00 175.35 175.61 1jk9 s THR 174 N -2.51 0.00 -0.97 3.79 -1.32 -0.24 -4.63 115.64 109.76 1jk9 s THR 174 Ca -0.04 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 60.37 1jk9 s THR 174 Cb -0.01 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.23 1jk9 s THR 174 CO -0.03 0.00 0.92 0.12 -2.21 0.00 0.00 174.62 173.42 1jk9 s PHE 175 N 1.45 4.03 0.87 9.09 5.36 -1.26 -1.83 117.98 135.69 1jk9 s PHE 175 Ca -0.09 -2.71 -0.14 0.00 -0.96 0.00 0.00 56.93 53.04 1jk9 s PHE 175 Cb -0.05 -3.61 0.13 0.00 -0.34 0.00 0.00 43.02 39.15 1jk9 s PHE 175 CO -0.17 -0.88 1.24 -0.51 -1.46 0.00 0.00 175.22 173.44 1jk9 s LEU 176 N -1.03 2.57 -0.16 6.12 1.02 -0.68 -4.87 118.68 121.66 1jk9 s LEU 176 Ca 0.27 0.58 -0.12 0.00 0.02 0.00 0.00 54.13 54.88 1jk9 s LEU 176 Cb -0.10 -2.88 0.05 0.00 0.02 0.00 0.00 46.19 43.28 1jk9 s LEU 176 CO -0.09 -2.26 0.41 -0.55 0.02 0.00 0.00 176.35 173.89 1jk9 s SER 177 N -4.69 -0.48 0.01 2.29 0.15 -1.26 -1.21 113.70 108.51 1jk9 s SER 177 Ca 0.67 0.87 -0.09 0.00 0.70 0.00 0.00 55.95 58.10 1jk9 s SER 177 Cb -0.08 0.81 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 1jk9 s SER 177 CO 0.51 -0.17 0.17 0.00 1.20 0.00 0.00 173.24 174.95 1jk9 s ALA 178 N 0.80 -0.39 0.00 5.45 0.00 -0.69 -4.99 121.76 121.94 1jk9 s ALA 178 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 51.79 1jk9 s ALA 178 Cb -0.06 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1jk9 s ALA 178 CO -0.06 -0.26 1.41 -0.35 0.00 0.00 0.00 175.76 176.50 1jk9 n PRO 179 N 1.21 0.81 -3.60 0.00 -0.04 -1.26 -0.84 135.00 131.29 1jk9 n PRO 179 Ca -0.22 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.84 1jk9 n PRO 179 Cb 0.56 -1.09 -0.11 0.00 -0.04 0.00 0.00 33.50 32.82 1jk9 n PRO 179 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jk9 s LEU 180 N 0.00 4.75 0.60 1.53 1.43 -1.26 -4.64 118.68 121.09 1jk9 s LEU 180 Ca 0.00 -1.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.90 1jk9 s LEU 180 Cb 0.00 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1jk9 s LEU 180 CO 0.00 -0.40 1.17 -2.16 0.23 0.00 0.00 176.35 175.19 1jk9 s PRO 181 N 1.55 2.97 0.41 1.29 0.04 -1.26 -4.08 135.00 135.92 1jk9 s PRO 181 Ca 0.02 1.70 0.10 0.00 0.04 0.00 0.00 61.00 62.85 1jk9 s PRO 181 Cb -0.19 -1.94 0.91 0.00 0.04 0.00 0.00 34.50 33.31 1jk9 s PRO 181 CO 0.07 -1.17 1.99 1.15 0.04 0.00 0.00 177.00 179.07 1jk9 h THR 182 N 0.73 0.98 0.00 1.26 2.02 -1.90 -2.49 112.91 113.51 1jk9 h THR 182 Ca -0.50 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1jk9 h THR 182 Cb 1.28 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1jk9 h THR 182 CO 0.55 0.10 -0.07 4.11 0.37 0.00 0.00 175.52 180.58 1jk9 h TRP 183 N 0.55 0.00 0.00 3.16 5.08 -1.91 -1.40 115.95 121.42 1jk9 h TRP 183 Ca 0.26 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.23 1jk9 h TRP 183 Cb 0.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 1jk9 h TRP 183 CO -0.00 0.07 -0.84 1.04 -1.28 0.00 0.00 178.44 177.43 1jk9 n GLN 184 N -3.49 0.16 -0.07 0.12 6.02 -0.94 -4.35 117.38 114.83 1jk9 n GLN 184 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 1jk9 n GLN 184 Cb 0.20 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 29.78 1jk9 n GLN 184 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1jk9 h LEU 185 N 0.00 0.05 -9.74 1.08 3.38 -1.22 -3.45 115.31 105.41 1jk9 h LEU 185 Ca 0.00 -0.78 -0.55 0.00 0.09 0.00 0.00 57.88 56.63 1jk9 h LEU 185 Cb 0.63 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 41.45 1jk9 h LEU 185 CO 0.00 1.27 0.75 2.30 0.09 0.00 0.00 178.44 182.85 1jk9 n ILE 186 N -4.46 1.20 0.00 1.22 -6.64 -0.85 -1.73 119.36 108.10 1jk9 n ILE 186 Ca -0.21 -0.30 0.00 0.00 -1.77 0.00 0.00 62.75 60.47 1jk9 n ILE 186 Cb 0.61 -1.78 0.00 0.00 -1.44 0.00 0.00 39.64 37.03 1jk9 n ILE 186 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1jk9 n GLY 187 N 1.84 2.16 0.00 3.28 0.00 -0.63 -5.01 105.19 106.83 1jk9 n GLY 187 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jk9 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jk9 n ARG 188 N -1.95 1.76 -4.63 1.61 1.74 -0.70 -2.75 116.66 111.75 1jk9 n ARG 188 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1jk9 n ARG 188 Cb 0.00 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.30 1jk9 n ARG 188 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jk9 s SER 189 N -1.00 2.00 -0.21 0.55 1.04 -1.19 0.21 113.70 115.11 1jk9 s SER 189 Ca 0.00 -0.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.96 1jk9 s SER 189 Cb 0.00 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 1jk9 s SER 189 CO 0.00 0.15 0.06 0.12 0.98 0.00 0.00 173.24 174.54 1jk9 s PHE 190 N -0.62 3.15 -0.06 5.02 5.36 -0.14 -0.83 117.98 129.85 1jk9 s PHE 190 Ca 0.05 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1jk9 s PHE 190 Cb -0.07 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 1jk9 s PHE 190 CO 0.01 -0.10 -0.19 0.08 -1.46 0.00 0.00 175.22 173.56 1jk9 s VAL 191 N 0.94 1.63 -0.13 3.12 1.01 -0.37 -2.13 120.40 124.47 1jk9 s VAL 191 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1jk9 s VAL 191 Cb -0.14 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1jk9 s VAL 191 CO 0.03 0.46 -0.15 -0.63 0.00 0.00 0.00 175.10 174.81 1jk9 s ILE 192 N 0.22 1.57 0.10 2.22 1.01 -0.38 -1.55 121.20 124.39 1jk9 s ILE 192 Ca -0.10 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.78 1jk9 s ILE 192 Cb -0.14 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1jk9 s ILE 192 CO 0.05 0.46 0.26 -0.94 0.00 0.00 0.00 174.94 174.76 1jk9 s SER 193 N 1.20 0.01 0.02 3.58 1.04 -0.99 -1.36 113.70 117.20 1jk9 s SER 193 Ca -0.01 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 55.86 1jk9 s SER 193 Cb -0.14 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 1jk9 s SER 193 CO -0.06 -0.77 -0.00 -0.75 0.98 0.00 0.00 173.24 172.64 1jk9 s LYS 194 N -3.84 0.36 0.04 4.02 2.20 -0.68 -1.33 119.74 120.50 1jk9 s LYS 194 Ca 0.04 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.73 1jk9 s LYS 194 Cb 0.04 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1jk9 s LYS 194 CO -0.11 -0.06 1.18 0.45 -0.36 0.00 0.00 175.35 176.45 1jk9 s SER 195 N -1.56 7.10 0.39 1.43 0.15 -1.26 -0.70 113.70 119.25 1jk9 s SER 195 Ca -0.14 1.97 -0.27 0.00 0.70 0.00 0.00 55.95 58.20 1jk9 s SER 195 Cb -0.08 -2.58 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 1jk9 s SER 195 CO -0.01 -0.47 1.40 -0.76 1.20 0.00 0.00 173.24 174.60 1jk9 s LEU 196 N 1.19 4.28 0.32 3.45 1.43 -0.87 -4.84 118.68 123.64 1jk9 s LEU 196 Ca 0.58 2.88 0.08 0.00 -1.03 0.00 0.00 54.13 56.64 1jk9 s LEU 196 Cb -0.28 -3.76 0.53 0.00 0.03 0.00 0.00 46.19 42.71 1jk9 s LEU 196 CO 0.28 -0.86 1.74 0.78 0.23 0.00 0.00 176.35 178.52 1jk9 h ASN 197 N 2.89 0.17 -2.09 2.29 2.35 -1.93 -3.34 115.58 115.93 1jk9 h ASN 197 Ca -0.50 -0.07 -0.53 0.00 -0.55 0.00 0.00 56.30 54.64 1jk9 h ASN 197 Cb 1.24 -0.05 -0.40 0.00 0.05 0.00 0.00 38.32 39.16 1jk9 h ASN 197 CO 0.64 0.56 -0.99 1.41 -1.65 0.00 0.00 177.43 177.40 1jk9 n HIS 198 N -4.04 1.35 0.28 1.19 8.25 -1.26 -4.93 115.22 116.06 1jk9 n HIS 198 Ca -0.01 -3.85 0.11 0.00 -0.26 0.00 0.00 57.72 53.71 1jk9 n HIS 198 Cb 0.46 -0.44 0.58 0.00 1.12 0.00 0.00 29.99 31.71 1jk9 n HIS 198 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jk9 h PRO 199 N 3.31 0.00 -0.53 -0.41 0.13 -1.86 0.19 132.00 132.83 1jk9 h PRO 199 Ca 0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1jk9 h PRO 199 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1jk9 h PRO 199 CO 0.60 0.00 0.35 1.05 -0.23 0.00 0.00 178.00 179.77 1jk9 h GLU 200 N 0.00 0.67 -0.00 0.86 4.11 -1.91 -2.78 114.58 115.53 1jk9 h GLU 200 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1jk9 h GLU 200 Cb 0.81 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jk9 h GLU 200 CO 0.00 0.44 -0.04 0.09 0.07 0.00 0.00 179.01 179.57 1jk9 n ASN 201 N -4.46 0.10 -4.64 3.06 3.02 0.06 -4.77 115.26 107.63 1jk9 n ASN 201 Ca 0.05 -0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 1jk9 n ASN 201 Cb 0.07 -0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 1jk9 n ASN 201 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1jk9 s GLU 202 N -2.69 4.14 -0.90 3.52 0.41 -1.05 -4.83 118.70 117.31 1jk9 s GLU 202 Ca 0.24 0.47 -0.10 0.00 -0.41 0.00 0.00 54.97 55.17 1jk9 s GLU 202 Cb 0.20 -3.61 -0.08 0.00 -1.78 0.00 0.00 34.13 28.86 1jk9 s GLU 202 CO 0.49 -0.29 2.07 -0.35 -0.49 0.00 0.00 175.26 176.69 1jk9 n PRO 203 N 5.29 1.96 0.00 0.39 -0.04 -1.26 -4.68 135.00 136.66 1jk9 n PRO 203 Ca -0.03 -1.59 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1jk9 n PRO 203 Cb 0.50 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1jk9 n PRO 203 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jk9 n SER 204 N 5.09 0.00 -0.04 3.54 3.41 -1.26 -4.97 113.62 119.39 1jk9 n SER 204 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1jk9 n SER 204 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1jk9 n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jk9 n SER 205 N 0.00 0.00 -4.68 4.04 3.41 -1.26 -4.79 113.62 110.34 1jk9 n SER 205 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 1jk9 n SER 205 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1jk9 n SER 205 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1jk9 n VAL 206 N -0.42 0.11 -0.06 -3.33 0.31 -1.26 -4.91 118.33 108.76 1jk9 n VAL 206 Ca 0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.19 1jk9 n VAL 206 Cb 0.00 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.18 1jk9 n VAL 206 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1jk9 n LYS 207 N 4.12 0.28 -4.16 5.55 4.76 -1.26 -4.81 118.16 122.65 1jk9 n LYS 207 Ca 0.18 0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.44 1jk9 n LYS 207 Cb 0.31 -1.05 -0.08 0.00 -1.84 0.00 0.00 35.03 32.37 1jk9 n LYS 207 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jk9 s ASP 208 N -5.83 4.95 -0.36 4.39 1.01 -1.26 -2.05 116.67 117.51 1jk9 s ASP 208 Ca -0.17 -0.28 -0.16 0.00 0.71 0.00 0.00 52.55 52.65 1jk9 s ASP 208 Cb 0.06 -1.13 -0.00 0.00 1.01 0.00 0.00 42.92 42.85 1jk9 s ASP 208 CO 0.24 0.12 0.38 -0.47 0.21 0.00 0.00 175.17 175.66 1jk9 s TYR 209 N -1.55 3.20 0.01 4.23 5.04 0.12 -4.84 117.35 123.57 1jk9 s TYR 209 Ca 0.27 -0.11 -0.00 0.00 -2.44 0.00 0.00 57.07 54.79 1jk9 s TYR 209 Cb -0.10 -2.73 -0.01 0.00 0.35 0.00 0.00 41.96 39.47 1jk9 s TYR 209 CO 0.19 -0.50 -0.01 -1.54 -1.34 0.00 0.00 175.55 172.35 1jk9 s SER 210 N 1.75 0.16 0.02 4.32 1.04 -1.26 -1.69 113.70 118.04 1jk9 s SER 210 Ca 0.12 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1jk9 s SER 210 Cb -0.17 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1jk9 s SER 210 CO 0.12 -0.22 -0.12 0.72 0.98 0.00 0.00 173.24 174.72 1jk9 s PHE 211 N -1.04 1.05 0.27 5.02 -0.12 -0.46 -4.21 117.98 118.49 1jk9 s PHE 211 Ca -0.11 -0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 56.41 1jk9 s PHE 211 Cb -0.07 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 1jk9 s PHE 211 CO -0.01 0.01 0.45 1.47 -0.05 0.00 0.00 175.22 177.09 1jk9 n LEU 212 N 2.15 0.00 -3.62 -1.99 -0.00 0.56 -1.25 117.00 112.85 1jk9 n LEU 212 Ca -0.17 -2.02 -0.04 0.00 -0.00 0.00 0.00 56.01 53.78 1jk9 n LEU 212 Cb 0.55 2.24 -0.03 0.00 -0.00 0.00 0.00 43.42 46.18 1jk9 n LEU 212 CO 0.23 -0.54 1.06 -0.83 -0.00 0.00 0.00 177.39 177.31 1jk9 s GLY 213 N -2.56 -0.14 0.11 1.47 0.00 -0.91 -0.45 107.32 104.84 1jk9 s GLY 213 Ca 0.18 2.14 -0.30 0.00 0.00 0.00 0.00 44.72 46.74 1jk9 s GLY 213 CO 0.13 0.82 1.08 0.14 0.00 0.00 0.00 173.10 175.26 1jk9 s VAL 214 N -1.70 4.18 -0.37 1.40 1.01 -1.26 -0.97 120.40 122.69 1jk9 s VAL 214 Ca 0.08 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.51 1jk9 s VAL 214 Cb -0.01 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1jk9 s VAL 214 CO -0.05 0.23 1.78 -0.63 0.00 0.00 0.00 175.10 176.43 1jk9 s ILE 215 N 0.31 3.49 0.33 2.22 1.01 0.13 -4.65 121.20 124.04 1jk9 s ILE 215 Ca 0.52 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.69 1jk9 s ILE 215 Cb -0.27 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1jk9 s ILE 215 CO 0.31 -0.50 0.48 0.00 0.00 0.00 0.00 174.94 175.24 1jk9 s ALA 216 N 7.11 4.09 0.14 9.38 0.00 0.33 -1.60 121.76 141.22 1jk9 s ALA 216 Ca 0.77 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.09 1jk9 s ALA 216 Cb -0.20 -1.77 -0.07 0.00 0.00 0.00 0.00 23.12 21.08 1jk9 s ALA 216 CO 0.32 -0.03 0.98 1.03 0.00 0.00 0.00 175.76 178.06 1jk9 s ARG 217 N -4.20 4.71 0.01 0.00 0.52 -1.26 -0.93 118.95 117.81 1jk9 s ARG 217 Ca 0.43 1.50 0.06 0.00 -0.52 0.00 0.00 55.73 57.20 1jk9 s ARG 217 Cb -0.09 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1jk9 s ARG 217 CO 0.32 0.25 -0.16 0.45 0.02 0.00 0.00 175.30 176.17 1jk9 s SER 218 N -0.23 3.92 0.36 0.23 0.15 -1.06 -4.74 113.70 112.33 1jk9 s SER 218 Ca 0.46 -0.34 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 1jk9 s SER 218 Cb -0.25 -0.71 -0.11 0.00 -1.71 0.00 0.00 66.02 63.25 1jk9 s SER 218 CO 0.31 0.28 1.40 0.00 1.20 0.00 0.00 173.24 176.43 1jk9 s ALA 219 N -0.88 3.52 0.68 5.45 0.00 -1.26 -4.60 121.76 124.67 1jk9 s ALA 219 Ca 0.14 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.46 1jk9 s ALA 219 Cb -0.11 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.51 1jk9 s ALA 219 CO 0.04 -0.88 0.99 0.20 0.00 0.00 0.00 175.76 176.12 1jk9 s GLY 220 N -0.32 1.67 0.14 0.00 0.00 -1.26 -2.42 107.32 105.13 1jk9 s GLY 220 Ca 0.51 -0.87 -0.34 0.00 0.00 0.00 0.00 44.72 44.02 1jk9 s GLY 220 CO 0.58 -0.49 1.08 1.55 0.00 0.00 0.00 173.10 175.82 1jk9 n VAL 221 N -2.85 0.81 -1.04 1.40 3.14 -0.25 -0.30 118.33 119.25 1jk9 n VAL 221 Ca 0.07 -0.20 -0.06 0.00 -2.96 0.00 0.00 64.34 61.19 1jk9 n VAL 221 Cb 0.60 -0.59 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 1jk9 n VAL 221 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 1jk9 n TRP 222 N 1.38 -0.06 0.09 1.45 7.02 -1.26 -4.82 117.44 121.24 1jk9 n TRP 222 Ca 0.16 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.75 1jk9 n TRP 222 Cb 0.21 -2.15 -0.01 0.00 -2.42 0.00 0.00 31.31 26.94 1jk9 n TRP 222 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1jk9 n GLU 223 N -0.17 0.61 -3.83 -0.99 2.13 0.59 -4.86 120.64 114.12 1jk9 n GLU 223 Ca -0.06 0.13 -0.24 0.00 0.66 0.00 0.00 57.16 57.65 1jk9 n GLU 223 Cb 0.45 -1.82 -0.17 0.00 0.27 0.00 0.00 31.44 30.17 1jk9 n GLU 223 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1jk9 s ASN 224 N -5.39 1.78 -0.25 4.31 3.04 -1.26 -4.90 114.94 112.26 1jk9 s ASN 224 Ca -0.01 -0.16 0.10 0.00 0.04 0.00 0.00 52.86 52.83 1jk9 s ASN 224 Cb 0.10 -0.58 0.47 0.00 -1.54 0.00 0.00 41.25 39.69 1jk9 s ASN 224 CO 0.79 -0.16 1.37 -0.46 -3.04 0.00 0.00 177.10 175.60 1jk9 n ASN 225 N 5.04 2.26 -4.70 -4.21 2.04 -1.26 -4.97 115.26 109.46 1jk9 n ASN 225 Ca -0.09 -3.77 -0.42 0.00 -0.44 0.00 0.00 54.58 49.86 1jk9 n ASN 225 Cb 0.50 -0.59 -0.03 0.00 -2.53 0.00 0.00 39.78 37.13 1jk9 n ASN 225 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 1jk9 s LYS 226 N -3.22 4.36 -0.19 -3.83 2.20 -1.26 -4.92 119.74 112.89 1jk9 s LYS 226 Ca 0.42 1.81 -0.14 0.00 -0.36 0.00 0.00 55.97 57.70 1jk9 s LYS 226 Cb 0.39 -3.45 -0.08 0.00 -1.51 0.00 0.00 37.83 33.18 1jk9 s LYS 226 CO -0.02 -0.40 -0.31 0.94 -0.36 0.00 0.00 175.35 175.20 1jk9 n GLN 227 N 4.65 0.49 -3.83 4.03 -0.06 -1.26 -5.08 117.38 116.31 1jk9 n GLN 227 Ca 0.11 0.20 -0.22 0.00 -2.00 0.00 0.00 57.00 55.09 1jk9 n GLN 227 Cb 0.45 -1.33 -0.05 0.00 -4.06 0.00 0.00 30.24 25.25 1jk9 n GLN 227 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1jk9 n VAL 228 N -4.22 0.00 -3.60 1.69 0.24 -1.26 -5.17 118.33 106.01 1jk9 n VAL 228 Ca -0.29 -1.65 -0.11 0.00 -2.04 0.00 0.00 64.34 60.25 1jk9 n VAL 228 Cb 0.63 0.35 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 1jk9 n VAL 228 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jk9 n ALA 230 N -0.30 2.24 -3.83 0.00 0.00 -1.26 -5.03 120.51 112.33 1jk9 n ALA 230 Ca -0.15 0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1jk9 n ALA 230 Cb 0.64 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.67 1jk9 n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jk9 n THR 232 N -0.49 0.00 -0.53 0.00 -2.24 -1.26 -5.13 114.28 104.64 1jk9 n THR 232 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1jk9 n THR 232 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1jk9 n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jk9 n GLY 233 N 0.00 0.75 2.50 3.38 0.00 -1.26 -4.97 105.19 105.59 1jk9 n GLY 233 Ca 0.00 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1jk9 n GLY 233 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jk9 n LYS 234 N 4.72 -2.77 -2.76 1.61 4.81 -1.26 -4.99 118.16 117.52 1jk9 n LYS 234 Ca 0.00 0.60 -0.37 0.00 -0.87 0.00 0.00 58.31 57.67 1jk9 n LYS 234 Cb 0.00 -4.80 -0.06 0.00 0.02 0.00 0.00 35.03 30.19 1jk9 n LYS 234 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1jk9 s THR 235 N -2.89 4.15 -0.02 3.15 2.01 -1.26 -4.98 115.64 115.79 1jk9 s THR 235 Ca 0.16 1.84 0.09 0.00 0.31 0.00 0.00 61.69 64.08 1jk9 s THR 235 Cb -0.07 -4.04 -0.23 0.00 0.01 0.00 0.00 72.50 68.17 1jk9 s THR 235 CO 0.20 0.19 0.74 1.62 -0.69 0.00 0.00 174.62 176.68 1jk9 h VAL 236 N 2.68 0.98 -0.08 3.82 3.04 -1.98 -2.37 116.25 122.35 1jk9 h VAL 236 Ca -0.47 -2.79 -0.15 0.00 -1.01 0.00 0.00 66.70 62.29 1jk9 h VAL 236 Cb 1.19 2.52 -0.01 0.00 -2.01 0.00 0.00 31.29 32.98 1jk9 h VAL 236 CO 0.65 0.62 -0.62 -0.50 -1.01 0.00 0.00 177.57 176.72 1jk9 h TRP 237 N 0.01 0.35 -0.20 3.17 6.55 -2.00 -0.56 115.95 123.28 1jk9 h TRP 237 Ca -0.25 -0.14 -0.13 0.00 0.95 0.00 0.00 58.89 59.32 1jk9 h TRP 237 Cb 1.98 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 30.22 1jk9 h TRP 237 CO 0.01 0.81 -0.40 1.49 -1.05 0.00 0.00 178.44 179.31 1jk9 h GLU 238 N 0.20 0.63 -0.64 0.49 4.57 -1.98 -2.91 114.58 114.94 1jk9 h GLU 238 Ca -0.01 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 1jk9 h GLU 238 Cb 1.13 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.74 1jk9 h GLU 238 CO 0.10 1.02 0.35 1.49 -1.18 0.00 0.00 179.01 180.79 1jk9 h GLU 239 N 0.32 0.89 -0.18 1.92 4.81 -1.16 -2.63 114.58 118.54 1jk9 h GLU 239 Ca 0.01 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1jk9 h GLU 239 Cb 1.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1jk9 h GLU 239 CO 0.09 0.66 0.01 -0.09 -0.73 0.00 0.00 179.01 178.94 1jk9 h ARG 240 N 0.89 0.32 -0.86 1.92 2.43 -1.04 -2.55 114.38 115.49 1jk9 h ARG 240 Ca 0.23 -0.10 0.15 0.00 -0.81 0.00 0.00 59.98 59.45 1jk9 h ARG 240 Cb 0.03 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 1jk9 h ARG 240 CO -0.04 0.52 0.56 0.87 -1.51 0.00 0.00 179.97 180.37 1jk9 h LYS 241 N 0.08 0.57 -0.15 0.20 1.57 -1.27 0.13 116.57 117.70 1jk9 h LYS 241 Ca 0.05 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1jk9 h LYS 241 Cb 0.37 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1jk9 h LYS 241 CO 0.01 0.38 -0.50 -0.44 -0.57 0.00 0.00 179.45 178.33 1jk9 h ASP 242 N 0.59 0.45 1.24 0.86 3.32 -1.29 -2.83 116.42 118.76 1jk9 h ASP 242 Ca 0.44 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1jk9 h ASP 242 Cb 0.82 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1jk9 h ASP 242 CO -0.19 0.87 0.00 0.00 -1.72 0.00 0.00 179.24 178.21 1jk9 h ALA 243 N 1.14 1.00 -1.34 3.45 0.00 -0.36 -3.27 119.26 119.89 1jk9 h ALA 243 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.39 1jk9 h ALA 243 Cb 0.99 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.37 1jk9 h ALA 243 CO 0.09 0.00 -0.83 1.28 0.00 0.00 0.00 179.25 179.78 1jk9 n LEU 244 N -3.04 4.06 -0.14 0.00 4.32 -0.60 -5.10 117.00 116.50 1jk9 n LEU 244 Ca 0.02 -4.85 0.15 0.00 -0.02 0.00 0.00 56.01 51.30 1jk9 n LEU 244 Cb 0.36 -0.27 0.82 0.00 -1.62 0.00 0.00 43.42 42.71 1jk9 n LEU 244 CO 0.28 2.08 1.04 0.00 -1.22 0.00 0.00 177.39 179.57