#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg9 s PRO 2 N 0.00 -0.31 0.32 1.43 0.04 -1.26 -5.09 135.00 130.13 1jg9 s PRO 2 Ca 0.00 0.64 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1jg9 s PRO 2 Cb 0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 1jg9 s PRO 2 CO 0.00 -3.26 -0.08 0.54 0.04 0.00 0.00 177.00 174.24 1jg9 s ASN 3 N -3.02 3.94 0.16 6.66 2.20 -1.26 -5.05 114.94 118.57 1jg9 s ASN 3 Ca 0.67 -1.02 -0.16 0.00 -0.94 0.00 0.00 52.86 51.41 1jg9 s ASN 3 Cb -0.22 -0.45 0.06 0.00 -2.00 0.00 0.00 41.25 38.64 1jg9 s ASN 3 CO 0.61 -0.12 1.76 -1.28 -2.94 0.00 0.00 177.10 175.12 1jg9 h SER 4 N 2.00 0.18 -0.14 3.54 0.87 -1.96 -1.69 113.55 116.36 1jg9 h SER 4 Ca -0.42 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1jg9 h SER 4 Cb 1.25 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1jg9 h SER 4 CO 0.65 0.14 0.01 1.56 -0.53 0.00 0.00 176.83 178.66 1jg9 h GLN 5 N 0.31 0.05 -0.09 2.24 1.08 -1.97 -0.73 115.11 116.01 1jg9 h GLN 5 Ca 0.16 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1jg9 h GLN 5 Cb 0.12 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1jg9 h GLN 5 CO -0.15 0.04 0.04 -0.92 -0.95 0.00 0.00 178.83 176.89 1jg9 h TYR 6 N 0.06 0.08 -0.63 2.96 3.20 -1.95 -2.50 116.97 118.19 1jg9 h TYR 6 Ca 0.06 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1jg9 h TYR 6 Cb 0.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1jg9 h TYR 6 CO -0.14 0.05 0.34 -0.07 -1.64 0.00 0.00 178.16 176.69 1jg9 h LEU 7 N 0.09 0.78 -1.01 2.82 3.38 -1.09 -2.27 115.31 118.01 1jg9 h LEU 7 Ca 0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jg9 h LEU 7 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1jg9 h LEU 7 CO -0.02 0.63 -0.13 0.11 0.09 0.00 0.00 178.44 179.12 1jg9 h LYS 8 N 0.88 0.57 0.00 1.13 1.57 -0.90 -1.60 116.57 118.22 1jg9 h LYS 8 Ca 0.22 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1jg9 h LYS 8 Cb 0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jg9 h LYS 8 CO -0.04 0.69 -0.21 1.79 -0.57 0.00 0.00 179.45 181.11 1jg9 h THR 9 N 0.52 0.91 0.00 -0.16 1.35 -0.97 -2.25 112.91 112.31 1jg9 h THR 9 Ca 0.09 -0.77 -0.20 0.00 -0.55 0.00 0.00 66.41 64.98 1jg9 h THR 9 Cb 0.53 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1jg9 h THR 9 CO 0.03 0.20 -1.09 0.03 -0.25 0.00 0.00 175.52 174.45 1jg9 h ARG 10 N 0.00 0.00 -0.61 4.72 3.08 -1.22 -3.21 114.38 117.13 1jg9 h ARG 10 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1jg9 h ARG 10 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1jg9 h ARG 10 CO 0.03 0.71 0.23 0.82 -1.07 0.00 0.00 179.97 180.69 1jg9 h ILE 11 N 0.00 1.23 0.00 2.04 2.04 -0.74 -2.41 117.51 119.67 1jg9 h ILE 11 Ca -0.08 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1jg9 h ILE 11 Cb 1.72 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1jg9 h ILE 11 CO 0.10 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.72 1jg9 n LEU 12 N -4.43 0.00 0.00 1.44 4.77 -0.99 -3.60 117.00 114.18 1jg9 n LEU 12 Ca 0.04 0.41 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 1jg9 n LEU 12 Cb 0.18 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.04 1jg9 n LEU 12 CO 0.39 -0.13 0.64 0.47 -1.33 0.00 0.00 177.39 177.43 1jg9 n ASP 13 N -1.41 0.01 0.13 -1.43 8.00 -0.91 -1.87 116.55 119.07 1jg9 n ASP 13 Ca 0.07 0.50 0.13 0.00 0.71 0.00 0.00 54.79 56.20 1jg9 n ASP 13 Cb 0.20 -0.50 0.42 0.00 -0.02 0.00 0.00 41.12 41.21 1jg9 n ASP 13 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1jg9 h ILE 14 N 0.00 0.00 -3.06 0.53 3.07 -1.77 -3.45 117.51 112.83 1jg9 h ILE 14 Ca 0.00 -0.47 -0.60 0.00 1.55 0.00 0.00 64.86 65.34 1jg9 h ILE 14 Cb 0.15 1.41 -0.04 0.00 -0.27 0.00 0.00 36.82 38.07 1jg9 h ILE 14 CO 0.00 0.00 -0.34 -0.31 -1.05 0.00 0.00 178.15 176.45 1jg9 s TYR 15 N -3.19 3.53 0.92 0.16 1.51 -0.78 -5.09 117.35 114.40 1jg9 s TYR 15 Ca 0.08 0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 56.60 1jg9 s TYR 15 Cb 0.11 -2.01 0.14 0.00 -0.11 0.00 0.00 41.96 40.09 1jg9 s TYR 15 CO 0.55 0.51 1.10 0.95 -1.11 0.00 0.00 175.55 177.55 1jg9 s THR 16 N -1.49 2.46 0.20 -0.71 -4.23 -1.26 -4.65 115.64 105.96 1jg9 s THR 16 Ca 0.35 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 1jg9 s THR 16 Cb -0.13 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.17 1jg9 s THR 16 CO 0.21 -0.19 1.74 -0.65 -0.54 0.00 0.00 174.62 175.18 1jg9 h PRO 17 N -1.62 0.35 -0.27 3.99 0.11 -1.98 0.45 132.00 133.03 1jg9 h PRO 17 Ca -0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1jg9 h PRO 17 Cb 1.30 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1jg9 h PRO 17 CO 0.56 0.23 0.12 0.93 -0.21 0.00 0.00 178.00 179.64 1jg9 h GLU 18 N 0.36 0.39 -0.42 1.05 5.08 -2.01 -2.51 114.58 116.52 1jg9 h GLU 18 Ca 0.29 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1jg9 h GLU 18 Cb 0.37 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1jg9 h GLU 18 CO -0.31 0.39 0.08 1.96 -1.00 0.00 0.00 179.01 180.13 1jg9 h GLN 19 N 0.30 0.68 -0.53 2.33 4.20 -1.82 -3.14 115.11 117.12 1jg9 h GLN 19 Ca 0.09 -0.17 0.09 0.00 0.06 0.00 0.00 58.65 58.72 1jg9 h GLN 19 Cb 0.13 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 1jg9 h GLN 19 CO -0.01 0.71 0.14 -0.09 -0.67 0.00 0.00 178.83 178.90 1jg9 h ARG 20 N 0.54 0.28 -0.66 1.46 2.43 -0.75 -0.83 114.38 116.84 1jg9 h ARG 20 Ca 0.13 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1jg9 h ARG 20 Cb 0.35 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1jg9 h ARG 20 CO 0.00 0.18 0.44 0.00 -1.51 0.00 0.00 179.97 179.09 1jg9 h ALA 21 N 1.39 1.82 -0.19 2.80 0.00 -1.41 -0.77 119.26 122.91 1jg9 h ALA 21 Ca 0.27 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1jg9 h ALA 21 Cb 0.35 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jg9 h ALA 21 CO -0.32 0.06 -0.71 0.78 0.00 0.00 0.00 179.25 179.06 1jg9 h GLY 22 N 0.61 0.87 0.94 0.00 0.00 -1.18 -3.14 103.07 101.17 1jg9 h GLY 22 Ca 0.29 -1.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 1jg9 h GLY 22 CO -0.09 1.04 0.16 -2.22 0.00 0.00 0.00 176.54 175.43 1jg9 h ILE 23 N 0.56 1.19 -0.59 2.60 1.08 -0.48 -2.62 117.51 119.25 1jg9 h ILE 23 Ca -0.03 -0.57 0.17 0.00 -0.39 0.00 0.00 64.86 64.04 1jg9 h ILE 23 Cb 1.33 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1jg9 h ILE 23 CO 0.15 0.21 0.42 -0.33 -0.69 0.00 0.00 178.15 177.91 1jg9 h GLU 24 N 0.47 0.03 -0.18 2.37 4.39 -1.18 -0.16 114.58 120.32 1jg9 h GLU 24 Ca 0.13 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1jg9 h GLU 24 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1jg9 h GLU 24 CO -0.01 0.02 0.00 1.63 -1.16 0.00 0.00 179.01 179.49 1jg9 n LYS 25 N -4.37 2.28 -2.50 2.33 4.01 -1.02 -4.78 118.16 114.10 1jg9 n LYS 25 Ca 0.11 -1.89 -0.33 0.00 -0.51 0.00 0.00 58.31 55.69 1jg9 n LYS 25 Cb 0.65 -1.48 -0.04 0.00 -0.51 0.00 0.00 35.03 33.65 1jg9 n LYS 25 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1jg9 s SER 26 N -1.76 6.62 0.16 4.39 1.04 -0.07 -4.98 113.70 119.10 1jg9 s SER 26 Ca 0.34 1.66 -0.11 0.00 0.48 0.00 0.00 55.95 58.31 1jg9 s SER 26 Cb 0.21 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1jg9 s SER 26 CO 0.31 -0.59 1.62 -0.08 0.98 0.00 0.00 173.24 175.48 1jg9 h GLU 27 N 1.22 0.96 -0.56 4.02 4.57 -1.93 -2.42 114.58 120.44 1jg9 h GLU 27 Ca -0.48 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1jg9 h GLU 27 Cb 1.19 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1jg9 h GLU 27 CO 0.61 0.96 0.34 -0.44 -1.18 0.00 0.00 179.01 179.30 1jg9 h ASP 28 N 0.84 0.67 -0.04 1.04 3.32 -1.93 -1.76 116.42 118.54 1jg9 h ASP 28 Ca 0.16 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1jg9 h ASP 28 Cb 0.53 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1jg9 h ASP 28 CO 0.03 0.53 -0.16 -0.25 -1.72 0.00 0.00 179.24 177.66 1jg9 h TRP 29 N 0.75 0.41 -0.55 4.55 2.91 -1.77 -1.01 115.95 121.25 1jg9 h TRP 29 Ca 0.20 -0.06 -0.11 0.00 1.13 0.00 0.00 58.89 60.05 1jg9 h TRP 29 Cb -0.02 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 1jg9 h TRP 29 CO -0.02 0.53 -0.07 0.00 -1.03 0.00 0.00 178.44 177.84 1jg9 h ARG 30 N 0.35 1.00 -0.19 2.65 3.08 -0.90 0.12 114.38 120.49 1jg9 h ARG 30 Ca 0.06 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.65 1jg9 h ARG 30 Cb 0.49 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1jg9 h ARG 30 CO 0.03 1.02 -0.34 1.96 -1.07 0.00 0.00 179.97 181.57 1jg9 h GLN 31 N 0.90 0.57 -0.35 0.04 1.08 -1.09 -2.28 115.11 113.98 1jg9 h GLN 31 Ca 0.15 -0.36 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 1jg9 h GLN 31 Cb 0.62 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1jg9 h GLN 31 CO 0.04 0.97 0.15 0.35 -0.95 0.00 0.00 178.83 179.38 1jg9 h PHE 32 N 0.23 0.53 -0.59 2.96 3.57 -1.11 -1.81 116.94 120.71 1jg9 h PHE 32 Ca 0.01 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.50 1jg9 h PHE 32 Cb 0.94 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1jg9 h PHE 32 CO 0.09 0.48 0.36 0.66 -2.23 0.00 0.00 178.31 177.67 1jg9 h SER 33 N 0.42 0.58 -0.34 0.41 4.64 -0.76 0.26 113.55 118.77 1jg9 h SER 33 Ca 0.12 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1jg9 h SER 33 Cb 0.17 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1jg9 h SER 33 CO -0.01 0.40 0.13 -0.09 -0.87 0.00 0.00 176.83 176.39 1jg9 h ARG 34 N 0.70 0.51 -0.44 4.77 2.43 -1.23 -2.13 114.38 118.99 1jg9 h ARG 34 Ca 0.24 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1jg9 h ARG 34 Cb 0.04 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1jg9 h ARG 34 CO -0.11 0.51 -0.06 0.00 -1.51 0.00 0.00 179.97 178.80 1jg9 h ARG 35 N 0.39 0.75 -0.06 0.20 3.08 -1.06 -2.26 114.38 115.43 1jg9 h ARG 35 Ca 0.11 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.94 1jg9 h ARG 35 Cb 0.20 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1jg9 h ARG 35 CO -0.01 0.80 0.01 0.52 -1.07 0.00 0.00 179.97 180.23 1jg9 h MET 36 N 0.69 0.04 -0.95 0.04 2.86 -0.75 0.15 114.93 117.01 1jg9 h MET 36 Ca 0.13 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1jg9 h MET 36 Cb 0.52 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1jg9 h MET 36 CO 0.03 0.02 0.63 -0.44 1.06 0.00 0.00 176.91 178.21 1jg9 h ASP 37 N 0.04 1.08 -0.13 1.22 3.32 -1.17 0.27 116.42 121.06 1jg9 h ASP 37 Ca 0.03 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1jg9 h ASP 37 Cb 0.02 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1jg9 h ASP 37 CO -0.04 0.77 -0.36 0.74 -1.72 0.00 0.00 179.24 178.63 1jg9 h THR 38 N 1.27 1.37 0.00 0.35 2.02 -1.06 -3.39 112.91 113.46 1jg9 h THR 38 Ca 0.36 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1jg9 h THR 38 Cb -0.11 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1jg9 h THR 38 CO -0.09 0.50 -1.56 1.41 0.37 0.00 0.00 175.52 176.15 1jg9 n HIS 39 N -4.34 0.00 -0.37 3.16 8.25 0.50 -4.55 115.22 117.88 1jg9 n HIS 39 Ca -0.07 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1jg9 n HIS 39 Cb 0.52 -0.30 0.18 0.00 1.12 0.00 0.00 29.99 31.50 1jg9 n HIS 39 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1jg9 h PHE 40 N 0.00 1.18 -0.94 4.41 3.57 -0.59 -2.28 116.94 122.29 1jg9 h PHE 40 Ca 0.00 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1jg9 h PHE 40 Cb 0.71 -0.39 -0.11 0.00 2.79 0.00 0.00 35.95 38.96 1jg9 h PHE 40 CO 0.00 0.59 0.52 -1.35 -2.23 0.00 0.00 178.31 175.84 1jg9 h PRO 41 N 1.14 0.63 -0.32 6.41 0.11 -1.80 0.63 132.00 138.80 1jg9 h PRO 41 Ca 0.44 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 1jg9 h PRO 41 Cb 0.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1jg9 h PRO 41 CO -0.19 0.41 -0.13 0.87 -0.21 0.00 0.00 178.00 178.76 1jg9 h LYS 42 N 0.65 0.65 -0.19 1.05 1.57 -1.71 -1.30 116.57 117.29 1jg9 h LYS 42 Ca 0.55 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1jg9 h LYS 42 Cb 0.88 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1jg9 h LYS 42 CO -0.41 0.86 0.08 1.25 -0.57 0.00 0.00 179.45 180.66 1jg9 h LEU 43 N 0.42 0.12 -0.29 2.94 5.85 -0.93 -0.17 115.31 123.24 1jg9 h LEU 43 Ca 0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1jg9 h LEU 43 Cb 0.65 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1jg9 h LEU 43 CO 0.04 0.10 0.14 -0.03 -0.34 0.00 0.00 178.44 178.35 1jg9 h MET 44 N 0.19 0.42 -0.50 1.25 4.05 -0.92 -1.27 114.93 118.15 1jg9 h MET 44 Ca 0.08 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1jg9 h MET 44 Cb 0.03 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.73 1jg9 h MET 44 CO -0.06 0.40 0.30 -0.97 0.23 0.00 0.00 176.91 176.81 1jg9 h ASN 45 N 0.34 0.60 -0.28 1.39 -1.24 -1.01 -0.00 115.58 115.38 1jg9 h ASN 45 Ca 0.10 -0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.02 1jg9 h ASN 45 Cb 0.12 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1jg9 h ASN 45 CO -0.01 0.48 0.04 -0.33 -1.29 0.00 0.00 177.43 176.32 1jg9 h GLU 46 N 0.66 0.47 -0.40 6.67 4.39 -0.91 -1.73 114.58 123.74 1jg9 h GLU 46 Ca 0.18 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1jg9 h GLU 46 Cb -0.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 1jg9 h GLU 46 CO -0.03 0.59 0.01 -0.07 -1.16 0.00 0.00 179.01 178.35 1jg9 h LEU 47 N 0.28 0.60 -0.71 1.33 3.38 -1.09 -2.59 115.31 116.52 1jg9 h LEU 47 Ca 0.08 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1jg9 h LEU 47 Cb 0.35 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jg9 h LEU 47 CO 0.01 0.66 -0.18 -0.78 0.09 0.00 0.00 178.44 178.24 1jg9 h ASP 48 N 0.61 0.81 0.36 -0.43 1.82 -0.83 0.17 116.42 118.93 1jg9 h ASP 48 Ca 0.13 -0.28 -0.04 0.00 -0.39 0.00 0.00 57.03 56.45 1jg9 h ASP 48 Cb 0.36 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1jg9 h ASP 48 CO 0.01 0.98 -0.19 0.77 -1.61 0.00 0.00 179.24 179.21 1jg9 h SER 49 N 0.71 0.00 0.00 2.28 4.64 -0.93 0.13 113.55 120.39 1jg9 h SER 49 Ca 0.11 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.19 1jg9 h SER 49 Cb 0.69 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.75 1jg9 h SER 49 CO 0.05 0.19 -1.37 0.52 -0.87 0.00 0.00 176.83 175.36 1jg9 n VAL 50 N -3.87 1.52 0.28 0.95 0.31 -1.06 -4.63 118.33 111.83 1jg9 n VAL 50 Ca -0.02 -0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.37 1jg9 n VAL 50 Cb 0.28 -2.06 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 1jg9 n VAL 50 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1jg9 n TYR 51 N -4.42 0.36 -0.91 3.52 4.01 0.02 -5.04 117.16 114.70 1jg9 n TYR 51 Ca -0.33 0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1jg9 n TYR 51 Cb 0.67 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 1jg9 n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jg9 n GLY 52 N 1.29 3.22 1.36 2.72 0.00 0.47 -2.19 105.19 112.06 1jg9 n GLY 52 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1jg9 n GLY 52 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jg9 n ASN 53 N 3.27 3.17 -4.69 1.61 3.02 -1.26 -4.86 115.26 115.52 1jg9 n ASN 53 Ca 0.00 -2.55 -0.44 0.00 -0.03 0.00 0.00 54.58 51.56 1jg9 n ASN 53 Cb 0.00 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.52 1jg9 n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jg9 n ASN 54 N -0.03 3.72 0.09 6.41 2.85 -0.93 -4.84 115.26 122.52 1jg9 n ASN 54 Ca 0.20 1.02 0.19 0.00 -0.11 0.00 0.00 54.58 55.88 1jg9 n ASN 54 Cb 0.86 -1.49 0.74 0.00 1.24 0.00 0.00 39.78 41.13 1jg9 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1jg9 h GLU 55 N 7.77 0.00 0.00 1.20 -0.00 -1.92 -1.22 114.58 120.42 1jg9 h GLU 55 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1jg9 h GLU 55 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1jg9 h GLU 55 CO 0.93 0.00 -0.21 0.00 -0.00 0.00 0.00 179.01 179.73 1jg9 n ALA 56 N -2.47 2.71 0.20 1.06 0.00 -1.26 -4.30 120.51 116.45 1jg9 n ALA 56 Ca 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 1jg9 n ALA 56 Cb 0.52 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 1jg9 n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jg9 h LEU 57 N 0.00 -0.37 -0.17 0.00 5.85 -1.59 -0.98 115.31 118.06 1jg9 h LEU 57 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jg9 h LEU 57 Cb 0.58 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1jg9 h LEU 57 CO 0.00 -0.25 0.10 0.25 -0.34 0.00 0.00 178.44 178.20 1jg9 h LEU 58 N -0.45 0.20 -0.76 2.25 5.85 -1.76 0.19 115.31 120.82 1jg9 h LEU 58 Ca -0.04 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1jg9 h LEU 58 Cb 0.34 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1jg9 h LEU 58 CO 0.07 0.20 0.48 -0.65 -0.34 0.00 0.00 178.44 178.20 1jg9 h PRO 59 N 0.19 1.03 -0.22 5.25 0.11 -1.77 -0.75 132.00 135.83 1jg9 h PRO 59 Ca 0.06 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1jg9 h PRO 59 Cb 0.03 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 1jg9 h PRO 59 CO -0.01 0.71 0.09 1.98 -0.21 0.00 0.00 178.00 180.56 1jg9 h MET 60 N 1.04 0.33 -0.49 1.05 1.85 -0.92 -1.72 114.93 116.07 1jg9 h MET 60 Ca 0.28 -0.06 0.02 0.00 -0.61 0.00 0.00 59.70 59.33 1jg9 h MET 60 Cb -0.07 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 1jg9 h MET 60 CO -0.06 0.38 0.29 1.25 -0.40 0.00 0.00 176.91 178.38 1jg9 h LEU 61 N 0.21 0.47 -1.02 3.39 5.85 -0.27 0.16 115.31 124.11 1jg9 h LEU 61 Ca 0.07 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1jg9 h LEU 61 Cb 0.17 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1jg9 h LEU 61 CO -0.01 0.33 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.08 1jg9 h GLU 62 N 0.58 0.69 -0.51 1.25 5.08 -1.04 0.75 114.58 121.37 1jg9 h GLU 62 Ca 0.20 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1jg9 h GLU 62 Cb 0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jg9 h GLU 62 CO -0.09 0.71 -0.07 1.98 -1.00 0.00 0.00 179.01 180.54 1jg9 h MET 63 N 0.64 0.95 -0.41 2.33 4.05 -0.61 -1.78 114.93 120.10 1jg9 h MET 63 Ca 0.13 -0.34 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 1jg9 h MET 63 Cb 0.43 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 1jg9 h MET 63 CO 0.02 1.00 0.15 1.25 0.23 0.00 0.00 176.91 179.56 1jg9 h LEU 64 N 0.81 0.58 -1.18 3.39 5.85 -0.08 -2.02 115.31 122.66 1jg9 h LEU 64 Ca 0.14 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1jg9 h LEU 64 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1jg9 h LEU 64 CO 0.04 0.61 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.65 1jg9 h LEU 65 N 0.52 0.51 -0.51 2.25 3.38 -0.76 0.09 115.31 120.78 1jg9 h LEU 65 Ca 0.14 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1jg9 h LEU 65 Cb 0.22 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jg9 h LEU 65 CO -0.01 0.60 0.02 0.00 0.09 0.00 0.00 178.44 179.14 1jg9 h ALA 66 N 1.47 0.69 -0.50 1.53 0.00 -1.09 -1.72 119.26 119.64 1jg9 h ALA 66 Ca 0.11 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1jg9 h ALA 66 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jg9 h ALA 66 CO 0.01 0.49 -0.11 1.96 0.00 0.00 0.00 179.25 181.60 1jg9 h GLN 67 N 0.76 0.93 -0.42 0.00 4.20 -0.92 -2.17 115.11 117.49 1jg9 h GLN 67 Ca 0.15 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1jg9 h GLN 67 Cb 0.50 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1jg9 h GLN 67 CO 0.02 0.98 0.21 0.00 -0.67 0.00 0.00 178.83 179.38 1jg9 h ALA 68 N 1.04 0.54 -0.33 3.87 0.00 -0.76 0.27 119.26 123.88 1jg9 h ALA 68 Ca 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jg9 h ALA 68 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1jg9 h ALA 68 CO 0.04 0.09 0.15 2.35 0.00 0.00 0.00 179.25 181.88 1jg9 h TRP 69 N 0.54 0.49 -0.78 0.00 -0.00 -1.20 0.63 115.95 115.63 1jg9 h TRP 69 Ca 0.15 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.99 1jg9 h TRP 69 Cb 0.10 -0.15 -0.04 0.00 -0.00 0.00 0.00 29.16 29.07 1jg9 h TRP 69 CO -0.02 0.44 0.42 1.96 -0.00 0.00 0.00 178.44 181.24 1jg9 h GLN 70 N 0.40 1.10 -0.38 2.65 1.08 -1.13 0.15 115.11 118.98 1jg9 h GLN 70 Ca 0.11 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1jg9 h GLN 70 Cb 0.15 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1jg9 h GLN 70 CO -0.01 0.82 0.20 1.03 -0.95 0.00 0.00 178.83 179.92 1jg9 h SER 71 N 1.09 0.48 -0.42 1.46 0.87 -0.07 -1.83 113.55 115.12 1jg9 h SER 71 Ca 0.27 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.64 1jg9 h SER 71 Cb 0.05 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1jg9 h SER 71 CO -0.04 0.44 -0.07 0.22 -0.53 0.00 0.00 176.83 176.85 1jg9 h TYR 72 N 0.48 0.93 -0.93 2.24 3.20 -0.53 -1.28 116.97 121.08 1jg9 h TYR 72 Ca 0.13 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1jg9 h TYR 72 Cb 0.07 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 1jg9 h TYR 72 CO -0.02 0.88 0.56 0.66 -1.64 0.00 0.00 178.16 178.60 1jg9 h SER 73 N 0.78 1.12 1.14 -2.11 4.64 -0.71 -2.55 113.55 115.85 1jg9 h SER 73 Ca 0.14 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 1jg9 h SER 73 Cb 0.57 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1jg9 h SER 73 CO 0.03 0.85 -0.47 1.56 -0.87 0.00 0.00 176.83 177.94 1jg9 h GLN 74 N 1.28 0.00 -6.38 4.77 4.20 -1.03 -3.47 115.11 114.49 1jg9 h GLN 74 Ca 0.33 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.41 1jg9 h GLN 74 Cb -0.06 0.00 0.09 0.00 0.30 0.00 0.00 27.48 27.81 1jg9 h GLN 74 CO -0.06 0.47 0.24 -2.13 -0.67 0.00 0.00 178.83 176.67 1jg9 n ARG 75 N -3.38 1.25 -2.09 1.46 0.63 -0.51 -4.90 116.66 109.12 1jg9 n ARG 75 Ca 0.01 0.44 -0.38 0.00 -0.92 0.00 0.00 57.85 57.00 1jg9 n ARG 75 Cb 0.63 -1.91 0.00 0.00 0.45 0.00 0.00 32.46 31.64 1jg9 n ARG 75 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1jg9 s ASN 76 N -0.15 6.00 0.26 6.15 0.01 -1.26 -4.86 114.94 121.09 1jg9 s ASN 76 Ca 0.69 2.50 -0.01 0.00 -0.71 0.00 0.00 52.86 55.33 1jg9 s ASN 76 Cb -0.80 -2.62 0.49 0.00 0.41 0.00 0.00 41.25 38.73 1jg9 s ASN 76 CO 0.54 -1.05 1.82 -1.28 -1.51 0.00 0.00 177.10 175.62 1jg9 h SER 77 N 2.08 0.78 -0.70 -1.22 0.87 -1.98 -1.23 113.55 112.16 1jg9 h SER 77 Ca -0.50 0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1jg9 h SER 77 Cb 1.26 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.08 1jg9 h SER 77 CO 0.60 0.42 0.45 0.28 -0.53 0.00 0.00 176.83 178.05 1jg9 h SER 78 N 0.87 0.75 -0.04 6.23 0.02 -2.00 -1.32 113.55 118.06 1jg9 h SER 78 Ca 0.45 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1jg9 h SER 78 Cb 0.46 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1jg9 h SER 78 CO -0.27 0.53 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.66 1jg9 h LEU 79 N 0.89 0.43 -1.27 5.07 3.38 -1.64 -2.22 115.31 119.95 1jg9 h LEU 79 Ca 0.27 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1jg9 h LEU 79 Cb -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1jg9 h LEU 79 CO -0.09 0.66 -0.36 0.11 0.09 0.00 0.00 178.44 178.85 1jg9 h LYS 80 N 0.39 0.00 -0.27 1.13 1.57 -0.43 -0.20 116.57 118.76 1jg9 h LYS 80 Ca 0.06 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 1jg9 h LYS 80 Cb 0.60 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jg9 h LYS 80 CO 0.04 0.36 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.42 1jg9 h ASP 81 N 0.00 0.72 -0.02 0.86 3.32 -0.68 -2.32 116.42 118.30 1jg9 h ASP 81 Ca -0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 1jg9 h ASP 81 Cb 0.64 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1jg9 h ASP 81 CO 0.05 1.05 -0.38 0.40 -1.72 0.00 0.00 179.24 178.63 1jg9 h ILE 82 N 0.55 1.30 -0.18 0.35 2.04 -1.02 -1.10 117.51 119.45 1jg9 h ILE 82 Ca 0.04 -1.53 0.03 0.00 1.00 0.00 0.00 64.86 64.41 1jg9 h ILE 82 Cb 0.96 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1jg9 h ILE 82 CO 0.09 0.48 -0.00 0.44 0.00 0.00 0.00 178.15 179.15 1jg9 h ASP 83 N 0.44 -0.08 -0.59 1.72 3.32 -0.71 -1.00 116.42 119.53 1jg9 h ASP 83 Ca 0.04 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1jg9 h ASP 83 Cb 0.86 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1jg9 h ASP 83 CO 0.07 -0.01 0.04 0.40 -1.72 0.00 0.00 179.24 178.02 1jg9 h ILE 84 N 0.05 1.26 -0.13 0.35 2.04 -1.24 -1.18 117.51 118.67 1jg9 h ILE 84 Ca 0.08 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.86 1jg9 h ILE 84 Cb 0.10 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1jg9 h ILE 84 CO -0.14 0.40 0.02 0.00 0.00 0.00 0.00 178.15 178.43 1jg9 h ALA 85 N 1.07 0.13 0.00 1.87 0.00 -0.70 -2.78 119.26 118.84 1jg9 h ALA 85 Ca 0.18 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1jg9 h ALA 85 Cb 0.50 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jg9 h ALA 85 CO 0.02 -0.43 -0.40 0.00 0.00 0.00 0.00 179.25 178.44 1jg9 h ARG 86 N 0.08 0.00 0.00 0.00 3.08 -1.14 -2.60 114.38 113.80 1jg9 h ARG 86 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jg9 h ARG 86 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1jg9 h ARG 86 CO -0.08 0.40 -0.12 1.49 -1.07 0.00 0.00 179.97 180.59 1jg9 h GLU 87 N 0.00 0.00 -0.44 0.04 4.81 -0.97 -2.25 114.58 115.77 1jg9 h GLU 87 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jg9 h GLU 87 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1jg9 h GLU 87 CO 0.05 0.12 0.00 0.09 -0.73 0.00 0.00 179.01 178.55 1jg9 n ASN 88 N -4.20 3.23 -3.06 1.04 3.02 -1.07 -4.62 115.26 109.58 1jg9 n ASN 88 Ca -0.02 -2.04 -0.18 0.00 -0.03 0.00 0.00 54.58 52.30 1jg9 n ASN 88 Cb 0.20 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1jg9 n ASN 88 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jg9 n ASN 89 N 0.75 -0.44 0.30 6.41 5.15 -0.85 -4.98 115.26 121.60 1jg9 n ASN 89 Ca 0.15 -3.00 0.18 0.00 -0.60 0.00 0.00 54.58 51.31 1jg9 n ASN 89 Cb 0.50 0.07 0.99 0.00 -0.53 0.00 0.00 39.78 40.81 1jg9 n ASN 89 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jg9 h PRO 90 N 3.61 0.00 -0.67 1.20 0.13 -1.81 -2.50 132.00 131.96 1jg9 h PRO 90 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1jg9 h PRO 90 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1jg9 h PRO 90 CO 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 1jg9 n ASP 91 N -3.57 3.61 0.28 1.44 9.92 -1.26 -4.29 116.55 122.69 1jg9 n ASP 91 Ca -0.02 -2.44 0.13 0.00 -0.53 0.00 0.00 54.79 51.93 1jg9 n ASP 91 Cb 0.14 -0.54 0.82 0.00 -0.64 0.00 0.00 41.12 40.90 1jg9 n ASP 91 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 1jg9 h TRP 92 N 2.58 0.00 0.00 1.24 5.08 -1.83 -0.15 115.95 122.86 1jg9 h TRP 92 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1jg9 h TRP 92 Cb 1.23 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1jg9 h TRP 92 CO 0.60 0.01 0.00 -0.84 -1.28 0.00 0.00 178.44 176.93 1jg9 h ILE 93 N 0.00 0.00 -0.02 0.12 3.07 -1.86 -3.23 117.51 115.59 1jg9 h ILE 93 Ca -0.00 -0.50 0.00 0.00 1.55 0.00 0.00 64.86 65.91 1jg9 h ILE 93 Cb 0.03 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.02 1jg9 h ILE 93 CO 0.00 0.00 -0.22 0.18 -1.05 0.00 0.00 178.15 177.06 1jg9 n LEU 94 N -2.47 2.07 -4.77 0.16 4.77 -0.07 -4.50 117.00 112.19 1jg9 n LEU 94 Ca 0.04 -0.71 -0.40 0.00 -0.03 0.00 0.00 56.01 54.91 1jg9 n LEU 94 Cb 0.38 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1jg9 n LEU 94 CO 0.28 0.36 0.90 -0.55 -1.33 0.00 0.00 177.39 177.06 1jg9 s SER 95 N -2.27 6.75 0.19 -1.43 0.15 -1.21 -1.61 113.70 114.28 1jg9 s SER 95 Ca 0.25 2.51 0.21 0.00 0.70 0.00 0.00 55.95 59.63 1jg9 s SER 95 Cb 0.19 -2.63 0.89 0.00 -1.71 0.00 0.00 66.02 62.76 1jg9 s SER 95 CO 0.45 -0.53 1.65 -0.46 1.20 0.00 0.00 173.24 175.55 1jg9 n ASN 96 N 0.61 0.50 0.25 5.45 6.94 -1.26 -2.41 115.26 125.34 1jg9 n ASN 96 Ca 0.01 0.62 0.17 0.00 -0.02 0.00 0.00 54.58 55.36 1jg9 n ASN 96 Cb 0.44 -0.73 0.70 0.00 -2.36 0.00 0.00 39.78 37.83 1jg9 n ASN 96 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1jg9 h LYS 97 N 0.00 0.00 -6.28 -3.83 1.57 -1.82 -3.31 116.57 102.90 1jg9 h LYS 97 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1jg9 h LYS 97 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1jg9 h LYS 97 CO 0.00 0.00 0.19 -0.65 -0.57 0.00 0.00 179.45 178.42 1jg9 s GLN 98 N -3.64 4.51 -0.12 3.15 -1.52 -1.01 -4.83 119.66 116.19 1jg9 s GLN 98 Ca 0.01 1.10 -0.05 0.00 -1.95 0.00 0.00 55.36 54.47 1jg9 s GLN 98 Cb 0.09 -3.39 0.05 0.00 -0.22 0.00 0.00 33.01 29.54 1jg9 s GLN 98 CO 0.49 0.19 0.26 0.08 -0.25 0.00 0.00 175.29 176.06 1jg9 s VAL 99 N 0.27 -0.16 0.33 1.09 1.01 -1.26 -4.48 120.40 117.19 1jg9 s VAL 99 Ca 0.41 0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.66 1jg9 s VAL 99 Cb -0.20 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1jg9 s VAL 99 CO 0.23 0.08 0.13 -0.83 0.00 0.00 0.00 175.10 174.71 1jg9 s GLY 100 N 1.65 1.92 0.04 4.51 0.00 0.41 -0.99 107.32 114.86 1jg9 s GLY 100 Ca -0.06 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 42.84 1jg9 s GLY 100 CO -0.09 -1.75 -0.03 -0.32 0.00 0.00 0.00 173.10 170.91 1jg9 s GLY 101 N -3.83 0.36 0.01 0.20 0.00 -0.23 -0.14 107.32 103.69 1jg9 s GLY 101 Ca 0.37 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1jg9 s GLY 101 CO 0.22 -1.00 -0.05 0.54 0.00 0.00 0.00 173.10 172.81 1jg9 s VAL 102 N -2.71 0.39 0.14 1.40 0.11 -0.56 -0.81 120.40 118.36 1jg9 s VAL 102 Ca -0.04 -0.46 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 1jg9 s VAL 102 Cb -0.01 -0.38 0.07 0.00 -1.53 0.00 0.00 36.38 34.53 1jg9 s VAL 102 CO -0.06 -0.06 0.72 0.00 -3.33 0.00 0.00 175.10 172.37 1jg9 s TYR 104 N -3.59 3.60 0.12 0.00 1.51 -1.26 -1.97 117.35 115.76 1jg9 s TYR 104 Ca 0.05 0.99 -0.20 0.00 -1.01 0.00 0.00 57.07 56.90 1jg9 s TYR 104 Cb -0.02 -2.50 -0.07 0.00 -0.11 0.00 0.00 41.96 39.26 1jg9 s TYR 104 CO -0.08 0.32 1.76 0.28 -1.11 0.00 0.00 175.55 176.73 1jg9 h VAL 105 N 4.34 1.07 -0.30 0.71 2.07 -1.94 -0.04 116.25 122.15 1jg9 h VAL 105 Ca -0.44 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1jg9 h VAL 105 Cb 1.19 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1jg9 h VAL 105 CO 0.71 0.06 0.03 -2.24 0.02 0.00 0.00 177.57 176.15 1jg9 h ASP 106 N 0.26 0.49 -0.30 0.57 2.03 -1.90 0.53 116.42 118.09 1jg9 h ASP 106 Ca 0.07 -0.28 -0.17 0.00 -0.73 0.00 0.00 57.03 55.92 1jg9 h ASP 106 Cb -0.01 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1jg9 h ASP 106 CO -0.01 0.65 -0.48 -0.07 -1.03 0.00 0.00 179.24 178.30 1jg9 h LEU 107 N 0.32 0.96 0.22 0.15 3.38 -1.84 -1.12 115.31 117.39 1jg9 h LEU 107 Ca 0.09 -0.48 -0.34 0.00 0.09 0.00 0.00 57.88 57.23 1jg9 h LEU 107 Cb 0.38 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jg9 h LEU 107 CO 0.01 1.28 -1.59 0.15 0.09 0.00 0.00 178.44 178.38 1jg9 h PHE 108 N 0.69 0.84 0.00 1.13 3.57 -1.02 -1.05 116.94 121.10 1jg9 h PHE 108 Ca 0.03 -0.61 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1jg9 h PHE 108 Cb 1.08 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1jg9 h PHE 108 CO 0.07 1.59 -0.33 0.00 -2.23 0.00 0.00 178.31 177.41 1jg9 n ALA 109 N -2.77 1.80 0.00 2.41 0.00 0.09 -4.55 120.51 117.49 1jg9 n ALA 109 Ca -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1jg9 n ALA 109 Cb 1.09 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1jg9 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg9 n GLY 110 N -0.14 2.06 3.44 0.00 0.00 -0.42 -4.02 105.19 106.10 1jg9 n GLY 110 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1jg9 n GLY 110 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jg9 s ASP 111 N 0.00 1.06 0.35 1.61 1.47 -1.25 -3.97 116.67 115.93 1jg9 s ASP 111 Ca 0.00 -1.54 0.04 0.00 1.18 0.00 0.00 52.55 52.23 1jg9 s ASP 111 Cb 0.00 0.63 0.67 0.00 -0.34 0.00 0.00 42.92 43.88 1jg9 s ASP 111 CO 0.00 -1.23 1.96 -0.07 0.68 0.00 0.00 175.17 176.51 1jg9 h LEU 112 N 2.13 0.73 -0.48 2.11 3.38 -1.01 0.63 115.31 122.79 1jg9 h LEU 112 Ca -0.28 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1jg9 h LEU 112 Cb 1.24 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1jg9 h LEU 112 CO 0.39 0.48 0.07 0.11 0.09 0.00 0.00 178.44 179.58 1jg9 h LYS 113 N 0.84 0.80 -0.32 1.13 1.57 -1.90 -1.91 116.57 116.78 1jg9 h LYS 113 Ca 0.31 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1jg9 h LYS 113 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1jg9 h LYS 113 CO -0.10 0.81 -0.09 0.78 -0.57 0.00 0.00 179.45 180.28 1jg9 h GLY 114 N 0.67 0.57 1.01 3.86 0.00 -1.47 -2.59 103.07 105.12 1jg9 h GLY 114 Ca 0.15 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1jg9 h GLY 114 CO 0.01 0.36 0.15 -2.00 0.00 0.00 0.00 176.54 175.05 1jg9 h LEU 115 N 0.49 0.86 -1.77 3.11 7.12 -0.56 -2.30 115.31 122.26 1jg9 h LEU 115 Ca 0.09 -0.23 0.03 0.00 0.13 0.00 0.00 57.88 57.90 1jg9 h LEU 115 Cb 0.46 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 1jg9 h LEU 115 CO 0.03 0.87 0.20 0.50 -0.13 0.00 0.00 178.44 179.91 1jg9 h LYS 116 N 0.82 0.29 0.00 1.25 3.64 -0.97 0.34 116.57 121.94 1jg9 h LYS 116 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1jg9 h LYS 116 Cb 0.34 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jg9 h LYS 116 CO 0.00 0.19 0.00 -0.25 -2.27 0.00 0.00 179.45 177.12 1jg9 n ASP 117 N -4.49 0.42 -0.21 4.20 8.00 -0.88 -2.68 116.55 120.91 1jg9 n ASP 117 Ca 0.02 0.56 0.12 0.00 0.71 0.00 0.00 54.79 56.21 1jg9 n ASP 117 Cb 0.15 -0.67 0.26 0.00 -0.02 0.00 0.00 41.12 40.84 1jg9 n ASP 117 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1jg9 n LYS 118 N -1.92 0.65 -0.31 -1.24 4.76 0.10 -4.28 118.16 115.94 1jg9 n LYS 118 Ca 0.05 -0.43 0.07 0.00 -2.87 0.00 0.00 58.31 55.13 1jg9 n LYS 118 Cb 0.31 -1.49 0.28 0.00 -1.84 0.00 0.00 35.03 32.29 1jg9 n LYS 118 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1jg9 h ILE 119 N 1.05 0.96 -0.73 -0.18 2.04 -1.42 -0.47 117.51 118.76 1jg9 h ILE 119 Ca 0.00 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.62 1jg9 h ILE 119 Cb 0.54 -0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1jg9 h ILE 119 CO 0.00 0.17 0.48 -0.65 0.00 0.00 0.00 178.15 178.15 1jg9 h PRO 120 N 0.92 0.68 -0.36 2.37 0.11 -1.82 -0.93 132.00 132.98 1jg9 h PRO 120 Ca 0.43 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 1jg9 h PRO 120 Cb 0.42 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1jg9 h PRO 120 CO -0.19 0.45 -0.07 -0.92 -0.21 0.00 0.00 178.00 177.06 1jg9 h TYR 121 N 0.70 0.76 -1.00 0.65 3.20 -1.39 -0.86 116.97 119.04 1jg9 h TYR 121 Ca 0.32 -0.16 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1jg9 h TYR 121 Cb 0.35 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 1jg9 h TYR 121 CO -0.00 0.82 0.65 0.74 -1.64 0.00 0.00 178.16 178.73 1jg9 h PHE 122 N 0.48 1.21 -0.46 -3.82 0.04 -0.75 0.11 116.94 113.76 1jg9 h PHE 122 Ca 0.09 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.79 1jg9 h PHE 122 Cb 0.57 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 1jg9 h PHE 122 CO 0.05 0.65 -0.14 1.96 -0.60 0.00 0.00 178.31 180.23 1jg9 h GLN 123 N 1.21 0.85 -0.91 1.51 4.20 -1.05 -1.15 115.11 119.77 1jg9 h GLN 123 Ca 0.42 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1jg9 h GLN 123 Cb 0.11 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1jg9 h GLN 123 CO -0.16 0.94 0.57 1.49 -0.67 0.00 0.00 178.83 181.00 1jg9 h GLU 124 N 0.76 1.22 0.00 1.46 4.81 0.38 -2.11 114.58 121.10 1jg9 h GLU 124 Ca 0.12 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1jg9 h GLU 124 Cb 0.66 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1jg9 h GLU 124 CO 0.05 0.84 -0.40 1.25 -0.73 0.00 0.00 179.01 180.02 1jg9 h LEU 125 N 1.24 0.00 0.00 1.64 5.85 -0.57 -3.47 115.31 120.00 1jg9 h LEU 125 Ca 0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1jg9 h LEU 125 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1jg9 h LEU 125 CO -0.07 0.40 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 1jg9 n GLY 126 N 0.38 1.10 3.77 3.75 0.00 -0.55 -4.91 105.19 108.72 1jg9 n GLY 126 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1jg9 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jg9 s LEU 127 N 0.00 4.19 0.00 0.99 1.43 -0.56 -4.66 118.68 120.08 1jg9 s LEU 127 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1jg9 s LEU 127 Cb 0.00 -3.99 0.00 0.00 0.03 0.00 0.00 46.19 42.23 1jg9 s LEU 127 CO 0.00 -0.74 0.46 0.35 0.23 0.00 0.00 176.35 176.65 1jg9 n THR 128 N 0.07 0.19 -3.71 5.49 -2.24 -0.16 -4.72 114.28 109.19 1jg9 n THR 128 Ca 0.04 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 1jg9 n THR 128 Cb 0.46 1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 69.75 1jg9 n THR 128 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1jg9 s TYR 129 N -0.19 -0.42 -0.07 4.78 6.14 -1.10 -1.04 117.35 125.45 1jg9 s TYR 129 Ca 0.00 0.96 -0.01 0.00 0.64 0.00 0.00 57.07 58.66 1jg9 s TYR 129 Cb 0.00 0.12 0.03 0.00 0.42 0.00 0.00 41.96 42.53 1jg9 s TYR 129 CO 0.00 -0.27 0.00 -1.17 0.64 0.00 0.00 175.55 174.75 1jg9 s LEU 130 N 1.34 0.59 -0.27 6.97 2.96 -0.30 -1.07 118.68 128.90 1jg9 s LEU 130 Ca -0.09 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1jg9 s LEU 130 Cb -0.10 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.12 1jg9 s LEU 130 CO -0.10 -0.19 0.20 -2.28 -1.32 0.00 0.00 176.35 172.65 1jg9 s HIS 131 N 1.95 3.24 -0.21 5.38 5.65 0.01 -0.90 115.29 130.42 1jg9 s HIS 131 Ca 0.05 0.16 -0.08 0.00 0.25 0.00 0.00 55.06 55.43 1jg9 s HIS 131 Cb -0.12 -2.37 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 1jg9 s HIS 131 CO -0.05 -0.12 0.10 -0.51 -0.65 0.00 0.00 174.74 173.50 1jg9 s LEU 132 N 1.65 3.89 0.88 8.88 1.43 -0.43 -1.96 118.68 133.03 1jg9 s LEU 132 Ca 0.08 0.07 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1jg9 s LEU 132 Cb -0.16 -2.01 0.13 0.00 0.03 0.00 0.00 46.19 44.18 1jg9 s LEU 132 CO 0.10 0.12 1.14 -0.04 0.23 0.00 0.00 176.35 177.90 1jg9 s MET 133 N 0.70 1.28 -0.20 1.70 -1.94 -0.83 -4.37 119.30 115.65 1jg9 s MET 133 Ca 0.05 1.50 -0.18 0.00 -1.71 0.00 0.00 55.69 55.36 1jg9 s MET 133 Cb -0.13 -1.76 -0.08 0.00 2.01 0.00 0.00 34.83 34.87 1jg9 s MET 133 CO 0.02 -2.43 0.72 -2.30 -0.01 0.00 0.00 175.02 171.02 1jg9 n PRO 134 N -4.03 0.00 -0.00 2.03 -0.02 -1.26 -4.76 135.00 126.95 1jg9 n PRO 134 Ca 0.12 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.68 1jg9 n PRO 134 Cb 0.52 -0.59 -0.12 0.00 -0.02 0.00 0.00 33.50 33.29 1jg9 n PRO 134 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jg9 n LEU 135 N 2.17 0.40 -4.97 2.45 4.77 -1.26 -4.88 117.00 115.69 1jg9 n LEU 135 Ca 0.16 -0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.68 1jg9 n LEU 135 Cb -0.02 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1jg9 n LEU 135 CO 0.35 0.10 0.30 -0.36 -1.33 0.00 0.00 177.39 176.46 1jg9 s PHE 136 N -2.93 3.04 0.21 -1.77 0.08 -1.26 -0.80 117.98 114.55 1jg9 s PHE 136 Ca -0.00 0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.82 1jg9 s PHE 136 Cb 0.12 -2.50 -0.16 0.00 -0.57 0.00 0.00 43.02 39.92 1jg9 s PHE 136 CO 0.72 -0.58 0.96 1.17 -0.10 0.00 0.00 175.22 177.39 1jg9 n LYS 137 N -2.17 0.92 -3.93 0.44 4.81 0.66 -4.26 118.16 114.62 1jg9 n LYS 137 Ca 0.04 0.32 -0.09 0.00 -0.87 0.00 0.00 58.31 57.72 1jg9 n LYS 137 Cb 0.59 -1.66 -0.06 0.00 0.02 0.00 0.00 35.03 33.92 1jg9 n LYS 137 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jg9 n PRO 139 N -0.31 1.18 -2.57 0.00 -0.02 -1.26 -4.89 135.00 127.13 1jg9 n PRO 139 Ca -0.05 0.45 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 1jg9 n PRO 139 Cb 0.62 -2.36 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1jg9 n PRO 139 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1jg9 s GLU 140 N -2.92 4.36 3.02 -0.52 2.02 -1.26 -4.46 118.70 118.94 1jg9 s GLU 140 Ca 0.76 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1jg9 s GLU 140 Cb -0.41 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1jg9 s GLU 140 CO 0.46 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.17 1jg9 n GLY 141 N 0.62 1.67 3.58 -1.39 0.00 -1.26 -4.81 105.19 103.60 1jg9 n GLY 141 Ca 0.03 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1jg9 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jg9 s LYS 142 N 0.00 3.84 0.00 1.61 1.02 -1.26 -4.88 119.74 120.07 1jg9 s LYS 142 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 55.97 55.92 1jg9 s LYS 142 Cb 0.00 -3.71 0.09 0.00 -0.52 0.00 0.00 37.83 33.68 1jg9 s LYS 142 CO 0.00 -0.38 1.00 -1.13 -0.92 0.00 0.00 175.35 173.92 1jg9 n SER 143 N 5.38 0.19 -3.85 2.83 3.41 -1.26 -4.73 113.62 115.58 1jg9 n SER 143 Ca -0.08 -1.93 -0.27 0.00 -0.26 0.00 0.00 58.87 56.33 1jg9 n SER 143 Cb 0.50 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.28 1jg9 n SER 143 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jg9 n ASP 144 N 0.10 -3.21 -3.71 4.04 2.03 -1.26 -1.40 116.55 113.15 1jg9 n ASP 144 Ca 0.01 -0.81 -0.26 0.00 0.52 0.00 0.00 54.79 54.24 1jg9 n ASP 144 Cb 0.78 -3.87 0.06 0.00 -0.72 0.00 0.00 41.12 37.37 1jg9 n ASP 144 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jg9 n GLY 145 N -1.67 -0.53 1.38 0.27 0.00 -1.26 -1.98 105.19 101.41 1jg9 n GLY 145 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jg9 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jg9 n GLY 146 N -1.90 1.17 0.00 -0.02 0.00 -0.49 -4.67 105.19 99.27 1jg9 n GLY 146 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1jg9 n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jg9 n TYR 147 N -2.00 0.00 -3.64 1.61 4.02 -0.67 -4.22 117.16 112.26 1jg9 n TYR 147 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.50 1jg9 n TYR 147 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 1jg9 n TYR 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jg9 s ALA 148 N -2.00 3.65 0.05 -0.72 0.00 -0.68 -4.86 121.76 117.21 1jg9 s ALA 148 Ca 0.40 -3.21 -0.28 0.00 0.00 0.00 0.00 51.96 48.86 1jg9 s ALA 148 Cb 0.18 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 1jg9 s ALA 148 CO 0.31 -2.12 0.89 0.08 0.00 0.00 0.00 175.76 174.92 1jg9 s VAL 149 N 0.09 4.69 -1.01 0.00 1.01 -1.26 -3.99 120.40 119.93 1jg9 s VAL 149 Ca 0.16 1.90 0.16 0.00 0.00 0.00 0.00 61.98 64.21 1jg9 s VAL 149 Cb -0.19 -4.25 -0.12 0.00 0.00 0.00 0.00 36.38 31.83 1jg9 s VAL 149 CO -0.04 0.29 0.75 -1.20 0.00 0.00 0.00 175.10 174.89 1jg9 n SER 150 N 3.12 1.05 -3.64 3.32 7.64 0.11 -0.13 113.62 125.08 1jg9 n SER 150 Ca 0.02 -1.02 -0.05 0.00 1.01 0.00 0.00 58.87 58.82 1jg9 n SER 150 Cb 0.50 0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 64.47 1jg9 n SER 150 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1jg9 s SER 151 N -2.34 -0.56 0.00 6.43 0.15 -1.19 -4.30 113.70 111.89 1jg9 s SER 151 Ca 0.09 0.95 0.26 0.00 0.70 0.00 0.00 55.95 57.94 1jg9 s SER 151 Cb 0.13 1.14 0.74 0.00 -1.71 0.00 0.00 66.02 66.31 1jg9 s SER 151 CO 0.59 -0.15 1.55 -1.22 1.20 0.00 0.00 173.24 175.21 1jg9 n TYR 152 N 3.29 0.00 0.00 3.44 4.02 -1.26 -3.94 117.16 122.70 1jg9 n TYR 152 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 1jg9 n TYR 152 Cb 0.57 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1jg9 n TYR 152 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1jg9 n ARG 153 N -0.60 1.30 -3.28 -0.72 1.74 -1.26 -4.98 116.66 108.86 1jg9 n ARG 153 Ca 0.12 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 1jg9 n ARG 153 Cb 0.35 -0.89 -0.08 0.00 -1.02 0.00 0.00 32.46 30.82 1jg9 n ARG 153 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jg9 s ASP 154 N -1.57 6.38 0.39 0.55 1.01 -1.26 -4.94 116.67 117.22 1jg9 s ASP 154 Ca 0.00 0.45 -0.26 0.00 0.71 0.00 0.00 52.55 53.45 1jg9 s ASP 154 Cb 0.00 -2.26 -0.09 0.00 1.01 0.00 0.00 42.92 41.58 1jg9 s ASP 154 CO 0.00 -0.26 1.21 -0.69 0.21 0.00 0.00 175.17 175.64 1jg9 s VAL 155 N 2.24 3.00 -0.10 -1.27 1.01 -1.26 -0.25 120.40 123.77 1jg9 s VAL 155 Ca 0.19 0.88 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 1jg9 s VAL 155 Cb -0.16 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1jg9 s VAL 155 CO 0.09 0.12 2.04 -3.20 0.00 0.00 0.00 175.10 174.15 1jg9 n ASN 156 N 0.24 3.55 -0.03 3.32 2.85 0.02 -4.42 115.26 120.79 1jg9 n ASN 156 Ca 0.03 0.68 0.23 0.00 -0.11 0.00 0.00 54.58 55.41 1jg9 n ASN 156 Cb 0.45 -1.47 0.72 0.00 1.24 0.00 0.00 39.78 40.72 1jg9 n ASN 156 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1jg9 h PRO 157 N 11.66 0.00 -0.05 1.20 0.13 -1.90 -0.01 132.00 143.03 1jg9 h PRO 157 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1jg9 h PRO 157 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1jg9 h PRO 157 CO 0.96 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.60 1jg9 h ALA 158 N 1.63 1.71 0.00 -0.56 0.00 -1.97 -2.62 119.26 117.45 1jg9 h ALA 158 Ca 0.29 -0.14 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 1jg9 h ALA 158 Cb 1.22 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1jg9 h ALA 158 CO -0.00 0.22 -1.53 -0.07 0.00 0.00 0.00 179.25 177.87 1jg9 h LEU 159 N 0.07 0.00 0.00 0.00 3.38 -1.32 -3.44 115.31 114.00 1jg9 h LEU 159 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jg9 h LEU 159 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jg9 h LEU 159 CO 0.02 0.96 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1jg9 n GLY 160 N 1.50 0.58 3.69 0.83 0.00 -0.96 -0.36 105.19 110.46 1jg9 n GLY 160 Ca -0.13 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.12 1jg9 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jg9 s THR 161 N -3.80 2.44 0.44 2.61 -4.23 -1.26 -4.06 115.64 107.78 1jg9 s THR 161 Ca 0.00 -1.83 0.11 0.00 -1.18 0.00 0.00 61.69 58.79 1jg9 s THR 161 Cb 0.00 -2.93 0.23 0.00 1.34 0.00 0.00 72.50 71.14 1jg9 s THR 161 CO 0.00 -0.09 2.04 -0.29 -0.54 0.00 0.00 174.62 175.74 1jg9 h ILE 162 N 1.61 1.09 -0.49 2.99 6.09 -1.92 -0.25 117.51 126.65 1jg9 h ILE 162 Ca -0.43 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 62.71 1jg9 h ILE 162 Cb 1.25 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.43 1jg9 h ILE 162 CO 0.70 0.12 0.23 1.23 -3.07 0.00 0.00 178.15 177.35 1jg9 h GLY 163 N 0.43 0.76 1.14 8.18 0.00 -2.00 -1.12 103.07 110.46 1jg9 h GLY 163 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1jg9 h GLY 163 CO -0.00 0.36 0.34 -0.55 0.00 0.00 0.00 176.54 176.69 1jg9 h ASP 164 N 0.64 1.00 -0.63 0.19 3.32 -1.48 -2.06 116.42 117.41 1jg9 h ASP 164 Ca 0.17 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1jg9 h ASP 164 Cb 0.13 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1jg9 h ASP 164 CO -0.02 0.86 0.26 0.25 -1.72 0.00 0.00 179.24 178.88 1jg9 h LEU 165 N 1.09 0.86 -0.98 1.55 5.85 -0.70 -1.17 115.31 121.80 1jg9 h LEU 165 Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1jg9 h LEU 165 Cb 0.14 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1jg9 h LEU 165 CO -0.03 0.78 0.47 0.03 -0.34 0.00 0.00 178.44 179.35 1jg9 h ARG 166 N 0.88 1.18 -0.64 1.25 3.08 -0.78 -0.78 114.38 118.57 1jg9 h ARG 166 Ca 0.21 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1jg9 h ARG 166 Cb 0.18 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1jg9 h ARG 166 CO -0.02 0.86 0.12 0.93 -1.07 0.00 0.00 179.97 180.80 1jg9 h GLU 167 N 1.19 1.05 -0.25 0.04 5.08 -0.92 -1.11 114.58 119.65 1jg9 h GLU 167 Ca 0.30 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jg9 h GLU 167 Cb 0.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1jg9 h GLU 167 CO -0.05 0.96 0.09 0.28 -1.00 0.00 0.00 179.01 179.29 1jg9 h VAL 168 N 0.96 1.19 -0.39 3.13 2.07 -0.71 0.21 116.25 122.71 1jg9 h VAL 168 Ca 0.20 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1jg9 h VAL 168 Cb 0.41 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1jg9 h VAL 168 CO 0.01 0.19 0.26 0.40 0.02 0.00 0.00 177.57 178.45 1jg9 h ILE 169 N 0.25 1.10 -0.86 4.57 2.04 -1.00 0.13 117.51 123.74 1jg9 h ILE 169 Ca 0.08 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jg9 h ILE 169 Cb 0.21 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 1jg9 h ILE 169 CO -0.00 0.10 0.53 0.00 0.00 0.00 0.00 178.15 178.78 1jg9 h ALA 170 N 1.14 1.10 -0.38 1.87 0.00 -1.06 -1.03 119.26 120.90 1jg9 h ALA 170 Ca 0.14 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1jg9 h ALA 170 Cb -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1jg9 h ALA 170 CO -0.03 0.55 -0.19 0.00 0.00 0.00 0.00 179.25 179.58 1jg9 h ALA 171 N 1.29 0.96 -0.23 0.00 0.00 -0.36 -1.33 119.26 119.60 1jg9 h ALA 171 Ca 0.31 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jg9 h ALA 171 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1jg9 h ALA 171 CO -0.06 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.72 1jg9 h LEU 172 N 0.64 0.40 -1.06 0.00 3.38 -0.16 -2.18 115.31 116.34 1jg9 h LEU 172 Ca 0.10 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1jg9 h LEU 172 Cb 0.67 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1jg9 h LEU 172 CO 0.05 0.61 0.41 0.45 0.09 0.00 0.00 178.44 180.05 1jg9 h HIS 173 N 0.18 1.05 -0.17 1.13 3.86 -1.08 0.13 115.15 120.26 1jg9 h HIS 173 Ca 0.07 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 1jg9 h HIS 173 Cb 0.41 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1jg9 h HIS 173 CO 0.03 0.74 -0.00 1.49 0.86 0.00 0.00 177.93 181.05 1jg9 h GLU 174 N 1.08 0.25 -0.17 2.45 4.57 -1.05 -1.49 114.58 120.22 1jg9 h GLU 174 Ca 0.27 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1jg9 h GLU 174 Cb 0.04 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1jg9 h GLU 174 CO -0.04 0.28 0.00 0.00 -1.18 0.00 0.00 179.01 178.07 1jg9 n ALA 175 N -2.50 2.52 -2.22 2.92 0.00 -0.68 -4.91 120.51 115.64 1jg9 n ALA 175 Ca -0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 1jg9 n ALA 175 Cb 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1jg9 n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg9 n GLY 176 N 1.12 0.32 3.15 0.00 0.00 -0.56 -4.97 105.19 104.25 1jg9 n GLY 176 Ca 0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1jg9 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jg9 s ILE 177 N -2.39 1.91 0.33 -0.61 1.01 0.38 -4.56 121.20 117.27 1jg9 s ILE 177 Ca 0.02 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 1jg9 s ILE 177 Cb -0.01 -1.69 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 1jg9 s ILE 177 CO 0.03 0.52 1.05 -0.44 0.00 0.00 0.00 174.94 176.10 1jg9 s SER 178 N 0.75 7.10 -0.21 3.58 0.01 -0.21 -3.19 113.70 121.54 1jg9 s SER 178 Ca -0.10 2.11 -0.15 0.00 1.31 0.00 0.00 55.95 59.13 1jg9 s SER 178 Cb -0.16 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 1jg9 s SER 178 CO 0.01 -0.25 0.35 0.00 0.41 0.00 0.00 173.24 173.75 1jg9 s ALA 179 N -1.40 3.57 -0.11 1.44 0.00 -1.26 -1.15 121.76 122.85 1jg9 s ALA 179 Ca 0.50 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.88 1jg9 s ALA 179 Cb -0.26 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1jg9 s ALA 179 CO 0.33 -0.29 -0.20 0.08 0.00 0.00 0.00 175.76 175.68 1jg9 s VAL 180 N 1.28 1.85 0.19 0.00 1.01 -0.07 -0.65 120.40 124.00 1jg9 s VAL 180 Ca 0.16 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1jg9 s VAL 180 Cb -0.14 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 1jg9 s VAL 180 CO 0.07 0.51 0.03 0.68 0.00 0.00 0.00 175.10 176.39 1jg9 s VAL 181 N 0.63 0.61 0.32 2.92 -7.23 -0.95 -1.31 120.40 115.40 1jg9 s VAL 181 Ca -0.13 -1.98 -0.26 0.00 -1.81 0.00 0.00 61.98 57.80 1jg9 s VAL 181 Cb -0.16 -2.23 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1jg9 s VAL 181 CO 0.03 -0.37 0.96 -1.81 -0.31 0.00 0.00 175.10 173.60 1jg9 s ASP 182 N -3.19 7.31 -0.51 4.85 1.11 -1.26 -0.98 116.67 124.00 1jg9 s ASP 182 Ca 0.27 1.89 0.04 0.00 0.18 0.00 0.00 52.55 54.92 1jg9 s ASP 182 Cb 0.06 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.60 1jg9 s ASP 182 CO 0.06 -0.09 0.25 0.12 1.18 0.00 0.00 175.17 176.69 1jg9 s PHE 183 N -1.56 3.23 -1.27 4.23 5.36 -0.20 -4.81 117.98 122.97 1jg9 s PHE 183 Ca 0.50 -3.15 -0.15 0.00 -0.96 0.00 0.00 56.93 53.16 1jg9 s PHE 183 Cb -0.20 -2.84 0.12 0.00 -0.34 0.00 0.00 43.02 39.76 1jg9 s PHE 183 CO 0.26 -0.76 1.66 -0.89 -1.46 0.00 0.00 175.22 174.03 1jg9 n ILE 184 N 3.20 4.08 0.99 3.12 5.41 -1.26 -2.47 119.36 132.43 1jg9 n ILE 184 Ca 0.05 -4.32 0.12 0.00 1.00 0.00 0.00 62.75 59.60 1jg9 n ILE 184 Cb 0.33 -2.42 0.20 0.00 -0.71 0.00 0.00 39.64 37.04 1jg9 n ILE 184 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1jg9 n PHE 185 N 6.65 0.09 0.10 1.39 -1.74 -1.26 -4.28 117.46 118.41 1jg9 n PHE 185 Ca 0.43 -0.04 0.11 0.00 -0.56 0.00 0.00 57.45 57.39 1jg9 n PHE 185 Cb 0.43 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.43 1jg9 n PHE 185 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1jg9 n ASN 186 N 1.13 0.84 -3.53 5.98 2.85 -1.26 -4.79 115.26 116.48 1jg9 n ASN 186 Ca 0.16 0.33 -0.10 0.00 -0.11 0.00 0.00 54.58 54.86 1jg9 n ASN 186 Cb 0.55 0.46 -0.02 0.00 1.24 0.00 0.00 39.78 42.01 1jg9 n ASN 186 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1jg9 s HIS 187 N -3.35 -0.40 0.37 1.20 -3.43 -1.26 -0.61 115.29 107.81 1jg9 s HIS 187 Ca -0.01 0.17 0.04 0.00 -0.80 0.00 0.00 55.06 54.47 1jg9 s HIS 187 Cb 0.10 0.58 -0.06 0.00 -1.43 0.00 0.00 32.58 31.77 1jg9 s HIS 187 CO 0.79 -0.81 0.06 0.95 -2.00 0.00 0.00 174.74 173.73 1jg9 s THR 188 N -3.54 1.25 0.75 -5.38 -4.23 -0.84 -4.72 115.64 98.92 1jg9 s THR 188 Ca 0.04 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.44 1jg9 s THR 188 Cb -0.02 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 71.14 1jg9 s THR 188 CO -0.08 0.00 1.08 -0.94 -0.54 0.00 0.00 174.62 174.14 1jg9 s SER 189 N -3.57 4.95 0.00 3.99 1.04 0.81 -0.77 113.70 120.15 1jg9 s SER 189 Ca 0.32 1.38 0.25 0.00 0.48 0.00 0.00 55.95 58.38 1jg9 s SER 189 Cb 0.08 -2.18 1.35 0.00 0.10 0.00 0.00 66.02 65.37 1jg9 s SER 189 CO 0.15 -1.69 1.83 -0.46 0.98 0.00 0.00 173.24 174.05 1jg9 n ASN 190 N -3.26 0.00 -0.75 7.02 6.94 -0.36 -2.42 115.26 122.43 1jg9 n ASN 190 Ca 0.07 -0.41 0.11 0.00 -0.02 0.00 0.00 54.58 54.32 1jg9 n ASN 190 Cb 0.55 -0.15 0.06 0.00 -2.36 0.00 0.00 39.78 37.89 1jg9 n ASN 190 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jg9 n GLU 191 N -1.15 1.84 -2.11 -3.83 1.02 -1.26 -4.40 120.64 110.75 1jg9 n GLU 191 Ca 0.15 -1.55 -0.39 0.00 -0.02 0.00 0.00 57.16 55.35 1jg9 n GLU 191 Cb 0.14 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1jg9 n GLU 191 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1jg9 s HIS 192 N -1.96 2.84 0.24 -0.32 2.46 -1.01 -4.83 115.29 112.70 1jg9 s HIS 192 Ca 0.23 1.46 -0.05 0.00 0.47 0.00 0.00 55.06 57.17 1jg9 s HIS 192 Cb 0.18 -3.57 0.46 0.00 -0.13 0.00 0.00 32.58 29.51 1jg9 s HIS 192 CO 0.35 -1.90 1.70 1.49 -2.47 0.00 0.00 174.74 173.91 1jg9 h GLU 193 N 2.46 0.31 -0.71 2.88 4.81 -1.91 -1.18 114.58 121.24 1jg9 h GLU 193 Ca -0.49 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1jg9 h GLU 193 Cb 1.25 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1jg9 h GLU 193 CO 0.62 0.21 0.45 -1.49 -0.73 0.00 0.00 179.01 178.06 1jg9 h TRP 194 N 0.32 0.84 -0.19 0.92 6.55 -1.94 -0.81 115.95 121.64 1jg9 h TRP 194 Ca 0.41 0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.26 1jg9 h TRP 194 Cb 0.68 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.70 1jg9 h TRP 194 CO -0.23 0.48 0.07 0.00 -1.05 0.00 0.00 178.44 177.71 1jg9 h ALA 195 N 1.30 0.24 -0.08 1.49 0.00 -1.55 0.22 119.26 120.90 1jg9 h ALA 195 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jg9 h ALA 195 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jg9 h ALA 195 CO -0.11 -0.15 0.05 1.96 0.00 0.00 0.00 179.25 180.99 1jg9 h GLN 196 N 0.14 0.10 -0.50 0.00 4.20 -1.06 -1.51 115.11 116.48 1jg9 h GLN 196 Ca 0.06 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1jg9 h GLN 196 Cb 0.20 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1jg9 h GLN 196 CO -0.00 0.11 0.01 0.00 -0.67 0.00 0.00 178.83 178.27 1jg9 h ARG 197 N 0.06 0.83 0.27 1.46 3.08 -1.11 -0.21 114.38 118.75 1jg9 h ARG 197 Ca 0.03 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1jg9 h ARG 197 Cb 0.04 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1jg9 h ARG 197 CO -0.01 0.83 -0.13 0.00 -1.07 0.00 0.00 179.97 179.59 1jg9 h ALA 199 N 0.14 1.74 0.00 0.00 0.00 -1.17 -1.62 119.26 118.35 1jg9 h ALA 199 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jg9 h ALA 199 Cb 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jg9 h ALA 199 CO 0.06 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1jg9 n ALA 200 N -2.49 1.81 -0.31 0.00 0.00 -0.10 -4.89 120.51 114.53 1jg9 n ALA 200 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1jg9 n ALA 200 Cb 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1jg9 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jg9 n GLY 201 N 0.32 0.83 3.66 0.00 0.00 -0.61 -5.03 105.19 104.37 1jg9 n GLY 201 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1jg9 n GLY 201 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg9 s ASP 202 N -2.12 6.68 0.60 1.61 -1.08 -0.48 -4.87 116.67 117.00 1jg9 s ASP 202 Ca 0.00 2.19 0.30 0.00 -0.52 0.00 0.00 52.55 54.53 1jg9 s ASP 202 Cb 0.00 -2.53 1.81 0.00 -1.46 0.00 0.00 42.92 40.73 1jg9 s ASP 202 CO 0.00 -0.92 2.20 1.55 0.52 0.00 0.00 175.17 178.52 1jg9 h PRO 203 N 9.49 0.00 0.00 4.34 0.13 -1.95 -1.52 132.00 142.49 1jg9 h PRO 203 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1jg9 h PRO 203 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jg9 h PRO 203 CO 0.96 0.00 -0.18 1.25 -0.23 0.00 0.00 178.00 179.79 1jg9 h LEU 204 N 0.00 0.00 -3.20 1.56 5.85 -1.94 -2.76 115.31 114.81 1jg9 h LEU 204 Ca 0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1jg9 h LEU 204 Cb 0.19 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 1jg9 h LEU 204 CO -0.00 0.18 -0.16 0.49 -0.34 0.00 0.00 178.44 178.61 1jg9 n PHE 205 N -3.74 0.64 -1.87 1.25 3.01 -0.58 -5.03 117.46 111.14 1jg9 n PHE 205 Ca -0.02 -1.38 -0.41 0.00 1.01 0.00 0.00 57.45 56.65 1jg9 n PHE 205 Cb 0.29 -0.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 1jg9 n PHE 205 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jg9 s ASP 206 N -2.67 6.44 -1.45 4.37 2.15 -1.05 -2.68 116.67 121.78 1jg9 s ASP 206 Ca 0.41 2.95 -0.08 0.00 0.43 0.00 0.00 52.55 56.27 1jg9 s ASP 206 Cb 0.37 -2.66 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1jg9 s ASP 206 CO -0.00 -0.81 0.65 -3.20 -0.17 0.00 0.00 175.17 171.64 1jg9 n ASN 207 N 0.86 -5.19 0.05 -0.34 5.15 -1.26 -4.85 115.26 109.69 1jg9 n ASN 207 Ca 0.02 -0.39 0.12 0.00 -0.60 0.00 0.00 54.58 53.73 1jg9 n ASN 207 Cb 0.39 -4.20 0.25 0.00 -0.53 0.00 0.00 39.78 35.69 1jg9 n ASN 207 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1jg9 n PHE 208 N -4.37 0.49 -4.30 1.20 3.01 -1.09 -4.67 117.46 107.73 1jg9 n PHE 208 Ca -0.05 0.14 -0.19 0.00 1.01 0.00 0.00 57.45 58.36 1jg9 n PHE 208 Cb 0.58 -0.63 -0.07 0.00 -0.01 0.00 0.00 39.48 39.36 1jg9 n PHE 208 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1jg9 n TYR 209 N -2.00 -0.48 -3.61 1.38 4.02 -1.26 -0.49 117.16 114.72 1jg9 n TYR 209 Ca 0.04 -2.42 -0.40 0.00 -0.01 0.00 0.00 57.90 55.12 1jg9 n TYR 209 Cb 0.41 0.19 -0.09 0.00 -0.02 0.00 0.00 39.34 39.83 1jg9 n TYR 209 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jg9 s TYR 210 N -3.11 3.48 -0.07 -0.72 1.51 -1.26 -4.70 117.35 112.47 1jg9 s TYR 210 Ca 0.30 -2.06 0.04 0.00 -1.01 0.00 0.00 57.07 54.35 1jg9 s TYR 210 Cb 0.01 -3.42 -0.01 0.00 -0.11 0.00 0.00 41.96 38.43 1jg9 s TYR 210 CO 0.22 -0.98 -0.20 0.42 -1.11 0.00 0.00 175.55 173.89 1jg9 s ILE 211 N 1.22 2.49 0.17 2.71 1.01 -1.26 -1.64 121.20 125.90 1jg9 s ILE 211 Ca 0.07 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.92 1jg9 s ILE 211 Cb -0.25 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 1jg9 s ILE 211 CO -0.02 0.57 -0.23 -0.36 0.00 0.00 0.00 174.94 174.90 1jg9 s PHE 212 N -0.17 2.13 0.25 3.97 0.08 0.83 -4.97 117.98 120.11 1jg9 s PHE 212 Ca -0.02 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 56.73 1jg9 s PHE 212 Cb -0.14 -1.08 0.29 0.00 -0.57 0.00 0.00 43.02 41.53 1jg9 s PHE 212 CO 0.04 0.41 1.57 -1.00 -0.10 0.00 0.00 175.22 176.14 1jg9 h PRO 213 N 3.38 0.00 0.00 0.24 0.13 -1.93 0.22 132.00 134.03 1jg9 h PRO 213 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jg9 h PRO 213 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1jg9 h PRO 213 CO 0.47 0.66 0.00 -0.40 -0.23 0.00 0.00 178.00 178.50 1jg9 n ASP 214 N -3.74 0.00 -0.24 1.44 5.68 -1.26 -4.46 116.55 113.97 1jg9 n ASP 214 Ca -0.01 -0.53 0.14 0.00 -0.50 0.00 0.00 54.79 53.89 1jg9 n ASP 214 Cb 0.66 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.33 1jg9 n ASP 214 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jg9 n ARG 215 N 0.00 1.33 0.15 0.11 5.12 -1.26 -4.42 116.66 117.68 1jg9 n ARG 215 Ca 0.00 -0.48 -0.16 0.00 -1.93 0.00 0.00 57.85 55.28 1jg9 n ARG 215 Cb 0.00 -1.46 -0.09 0.00 -1.16 0.00 0.00 32.46 29.75 1jg9 n ARG 215 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1jg9 h ARG 216 N 1.13 -0.73 -0.09 5.56 2.43 -1.99 0.23 114.38 120.92 1jg9 h ARG 216 Ca 0.00 0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1jg9 h ARG 216 Cb 0.24 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1jg9 h ARG 216 CO 0.00 -0.48 -0.51 0.52 -1.51 0.00 0.00 179.97 177.99 1jg9 h MET 217 N -0.75 0.50 -0.99 0.20 2.86 -2.01 -2.95 114.93 111.79 1jg9 h MET 217 Ca -0.00 -0.42 0.12 0.00 -2.06 0.00 0.00 59.70 57.33 1jg9 h MET 217 Cb 0.74 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.41 1jg9 h MET 217 CO -0.22 1.05 0.62 -1.35 1.06 0.00 0.00 176.91 178.07 1jg9 h PRO 218 N 0.09 0.96 -0.71 -0.22 0.11 -1.75 0.82 132.00 131.29 1jg9 h PRO 218 Ca -0.04 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 1jg9 h PRO 218 Cb 1.16 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 1jg9 h PRO 218 CO 0.10 0.64 0.34 -0.44 -0.21 0.00 0.00 178.00 178.43 1jg9 h ASP 219 N 0.99 0.93 -0.50 -2.05 3.32 -0.55 0.30 116.42 118.86 1jg9 h ASP 219 Ca 0.49 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.36 1jg9 h ASP 219 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1jg9 h ASP 219 CO -0.26 0.81 0.14 1.56 -1.72 0.00 0.00 179.24 179.77 1jg9 h GLN 220 N 1.00 0.79 -0.50 3.56 4.20 -0.96 -3.02 115.11 120.17 1jg9 h GLN 220 Ca 0.24 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1jg9 h GLN 220 Cb 0.12 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1jg9 h GLN 220 CO -0.03 0.75 0.10 1.88 -0.67 0.00 0.00 178.83 180.86 1jg9 h TYR 221 N 0.68 0.86 0.00 2.96 0.05 -0.58 -2.96 116.97 117.97 1jg9 h TYR 221 Ca 0.16 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1jg9 h TYR 221 Cb 0.30 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.80 1jg9 h TYR 221 CO 0.02 0.78 0.08 -0.44 -1.05 0.00 0.00 178.16 177.55 1jg9 h ASP 222 N 0.70 0.00 -0.05 3.88 3.32 -0.82 -2.06 116.42 121.38 1jg9 h ASP 222 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1jg9 h ASP 222 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1jg9 h ASP 222 CO 0.01 0.00 0.03 0.03 -1.72 0.00 0.00 179.24 177.59 1jg9 h ARG 223 N 0.00 0.08 -0.01 3.56 3.08 -1.48 -3.10 114.38 116.50 1jg9 h ARG 223 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jg9 h ARG 223 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jg9 h ARG 223 CO 0.00 0.06 0.00 0.25 -1.07 0.00 0.00 179.97 179.21 1jg9 n THR 224 N -4.53 0.88 -3.45 2.04 -2.24 -0.79 -5.05 114.28 101.16 1jg9 n THR 224 Ca -0.02 -0.94 -0.37 0.00 -2.27 0.00 0.00 64.05 60.44 1jg9 n THR 224 Cb 0.09 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 68.82 1jg9 n THR 224 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jg9 s LEU 225 N -0.89 4.46 0.05 3.22 1.43 -1.16 -4.10 118.68 121.68 1jg9 s LEU 225 Ca 0.01 1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.93 1jg9 s LEU 225 Cb 0.01 -2.77 -0.06 0.00 0.03 0.00 0.00 46.19 43.39 1jg9 s LEU 225 CO 0.01 0.27 0.56 -0.60 0.23 0.00 0.00 176.35 176.82 1jg9 s ARG 226 N -1.28 4.21 -0.21 1.70 3.52 -1.26 -4.95 118.95 120.67 1jg9 s ARG 226 Ca 0.27 0.71 -0.22 0.00 -0.13 0.00 0.00 55.73 56.37 1jg9 s ARG 226 Cb -0.17 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1jg9 s ARG 226 CO 0.16 0.57 0.69 -1.21 -0.81 0.00 0.00 175.30 174.69 1jg9 s GLU 227 N -0.85 4.19 -0.17 5.12 2.02 -1.26 -4.90 118.70 122.85 1jg9 s GLU 227 Ca 0.29 0.70 -0.22 0.00 0.02 0.00 0.00 54.97 55.75 1jg9 s GLU 227 Cb -0.19 -3.61 -0.23 0.00 0.10 0.00 0.00 34.13 30.21 1jg9 s GLU 227 CO 0.18 -0.34 0.44 0.82 0.02 0.00 0.00 175.26 176.38 1jg9 h ILE 228 N 5.28 1.19 -2.16 -1.63 1.08 -1.89 -3.41 117.51 115.97 1jg9 h ILE 228 Ca -0.29 -2.27 -0.59 0.00 -0.39 0.00 0.00 64.86 61.32 1jg9 h ILE 228 Cb 1.13 2.65 -0.42 0.00 -3.07 0.00 0.00 36.82 37.11 1jg9 h ILE 228 CO 0.80 0.47 -0.67 0.49 -0.69 0.00 0.00 178.15 178.55 1jg9 n PHE 229 N -4.38 3.04 0.25 1.37 3.72 -1.26 -4.92 117.46 115.28 1jg9 n PHE 229 Ca -0.24 -4.06 0.18 0.00 -0.05 0.00 0.00 57.45 53.27 1jg9 n PHE 229 Cb 0.67 -0.52 0.87 0.00 -0.94 0.00 0.00 39.48 39.55 1jg9 n PHE 229 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1jg9 h PRO 230 N 4.10 0.00 -0.04 -1.08 0.13 -1.80 0.60 132.00 133.91 1jg9 h PRO 230 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.21 1jg9 h PRO 230 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1jg9 h PRO 230 CO 0.78 0.00 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.70 1jg9 h ASP 231 N 0.00 0.09 0.15 1.44 5.19 -1.91 -3.27 116.42 118.11 1jg9 h ASP 231 Ca 0.06 -0.04 -0.23 0.00 -0.62 0.00 0.00 57.03 56.21 1jg9 h ASP 231 Cb 0.60 -0.03 0.02 0.00 0.18 0.00 0.00 39.33 40.10 1jg9 h ASP 231 CO -0.00 0.50 -1.05 1.56 -3.12 0.00 0.00 179.24 177.13 1jg9 h GLN 232 N 0.08 0.32 -1.82 3.56 1.08 -1.27 -3.49 115.11 113.56 1jg9 h GLN 232 Ca 0.01 -0.54 0.14 0.00 -1.45 0.00 0.00 58.65 56.81 1jg9 h GLN 232 Cb 0.77 0.20 -0.19 0.00 -0.05 0.00 0.00 27.48 28.21 1jg9 h GLN 232 CO 0.06 1.26 0.61 -3.38 -0.95 0.00 0.00 178.83 176.43 1jg9 s HIS 233 N -2.46 -0.28 0.52 2.96 -3.43 -1.15 -4.95 115.29 106.50 1jg9 s HIS 233 Ca -0.15 0.29 -0.09 0.00 -0.80 0.00 0.00 55.06 54.32 1jg9 s HIS 233 Cb 0.02 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.63 1jg9 s HIS 233 CO 0.83 -0.38 0.87 -1.25 -2.00 0.00 0.00 174.74 172.82 1jg9 s PRO 234 N -2.28 3.62 3.10 -0.38 0.04 -1.26 -4.29 135.00 133.56 1jg9 s PRO 234 Ca 0.04 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1jg9 s PRO 234 Cb -0.01 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1jg9 s PRO 234 CO -0.05 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.10 1jg9 n GLY 235 N -2.22 0.97 0.55 0.56 0.00 -1.26 -4.00 105.19 99.79 1jg9 n GLY 235 Ca 0.03 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.45 1jg9 n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jg9 n GLY 236 N 0.00 4.57 3.18 -0.02 0.00 -1.26 -4.84 105.19 106.83 1jg9 n GLY 236 Ca 0.00 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 44.73 1jg9 n GLY 236 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jg9 s PHE 237 N -2.93 1.16 0.09 1.61 0.40 -1.26 0.34 117.98 117.39 1jg9 s PHE 237 Ca 0.38 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 56.19 1jg9 s PHE 237 Cb 0.32 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 43.19 1jg9 s PHE 237 CO 0.04 0.05 -0.15 -1.12 0.70 0.00 0.00 175.22 174.74 1jg9 s SER 238 N -2.22 1.86 -0.13 1.36 0.01 -0.38 -4.78 113.70 109.42 1jg9 s SER 238 Ca 0.03 -0.67 -0.08 0.00 1.31 0.00 0.00 55.95 56.55 1jg9 s SER 238 Cb -0.06 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1jg9 s SER 238 CO 0.01 -0.07 0.15 -1.58 0.41 0.00 0.00 173.24 172.17 1jg9 s GLN 239 N -1.95 3.59 0.68 12.44 0.74 -1.26 -0.22 119.66 133.68 1jg9 s GLN 239 Ca 0.01 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.21 1jg9 s GLN 239 Cb -0.09 -3.23 0.02 0.00 1.10 0.00 0.00 33.01 30.81 1jg9 s GLN 239 CO 0.03 0.69 1.05 -0.51 -0.55 0.00 0.00 175.29 175.99 1jg9 s LEU 240 N -0.79 2.94 0.54 3.68 1.43 0.21 -4.96 118.68 121.73 1jg9 s LEU 240 Ca 0.14 0.93 0.31 0.00 -1.03 0.00 0.00 54.13 54.48 1jg9 s LEU 240 Cb -0.12 -3.69 1.55 0.00 0.03 0.00 0.00 46.19 43.97 1jg9 s LEU 240 CO 0.04 -1.34 2.09 -0.33 0.23 0.00 0.00 176.35 177.03 1jg9 h GLU 241 N -0.56 0.00 -0.09 1.70 5.08 -1.99 -1.74 114.58 116.98 1jg9 h GLU 241 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1jg9 h GLU 241 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1jg9 h GLU 241 CO 0.63 0.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.33 1jg9 n ASP 242 N -3.47 1.23 0.00 1.42 5.68 -1.26 -4.92 116.55 115.23 1jg9 n ASP 242 Ca -0.02 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1jg9 n ASP 242 Cb 0.23 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1jg9 n ASP 242 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jg9 n GLY 243 N 1.08 3.32 3.78 6.12 0.00 -0.66 -5.08 105.19 113.75 1jg9 n GLY 243 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1jg9 n GLY 243 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jg9 s ARG 244 N -0.84 2.12 0.02 1.61 0.52 -1.26 -4.69 118.95 116.43 1jg9 s ARG 244 Ca 0.00 0.85 0.06 0.00 -0.52 0.00 0.00 55.73 56.12 1jg9 s ARG 244 Cb 0.00 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 1jg9 s ARG 244 CO 0.00 -1.65 -0.17 -1.58 0.02 0.00 0.00 175.30 171.92 1jg9 s TRP 245 N -3.03 2.61 0.07 -0.53 0.52 0.06 0.63 118.94 119.27 1jg9 s TRP 245 Ca 0.61 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 56.57 1jg9 s TRP 245 Cb -0.16 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1jg9 s TRP 245 CO 0.55 0.24 -0.18 0.54 0.02 0.00 0.00 176.95 178.12 1jg9 s VAL 246 N -0.89 1.48 -0.13 4.03 0.11 0.69 -0.12 120.40 125.58 1jg9 s VAL 246 Ca 0.14 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.59 1jg9 s VAL 246 Cb -0.11 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 1jg9 s VAL 246 CO 0.04 -0.01 1.36 0.86 -3.33 0.00 0.00 175.10 174.03 1jg9 s TRP 247 N -1.03 2.63 -0.37 1.54 -0.11 -0.65 -1.25 118.94 119.69 1jg9 s TRP 247 Ca 0.04 0.80 0.01 0.00 1.22 0.00 0.00 56.10 58.16 1jg9 s TRP 247 Cb -0.09 -3.61 0.14 0.00 -1.50 0.00 0.00 33.47 28.41 1jg9 s TRP 247 CO 0.03 -2.26 0.22 0.95 -4.62 0.00 0.00 176.95 171.26 1jg9 s THR 248 N 3.60 0.39 0.29 5.86 -4.23 0.15 -1.81 115.64 119.89 1jg9 s THR 248 Ca 0.60 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1jg9 s THR 248 Cb -0.25 -1.29 0.27 0.00 1.34 0.00 0.00 72.50 72.57 1jg9 s THR 248 CO 0.19 -0.98 1.95 0.74 -0.54 0.00 0.00 174.62 175.98 1jg9 h THR 249 N 5.04 1.19 0.00 3.99 2.02 -1.77 -3.38 112.91 120.00 1jg9 h THR 249 Ca 0.06 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1jg9 h THR 249 Cb 0.96 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1jg9 h THR 249 CO 0.31 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.89 1jg9 n PHE 250 N -4.42 0.00 -1.29 3.16 3.72 -1.26 -4.42 117.46 112.94 1jg9 n PHE 250 Ca 0.10 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.20 1jg9 n PHE 250 Cb 0.06 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.69 1jg9 n PHE 250 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1jg9 s ASN 251 N -0.66 4.46 0.56 4.37 -0.87 -1.26 -4.80 114.94 116.74 1jg9 s ASN 251 Ca 0.00 1.74 0.31 0.00 -1.57 0.00 0.00 52.86 53.34 1jg9 s ASN 251 Cb 0.00 -2.46 1.66 0.00 -0.02 0.00 0.00 41.25 40.43 1jg9 s ASN 251 CO 0.00 -2.05 2.14 0.77 -2.57 0.00 0.00 177.10 175.39 1jg9 h SER 252 N -1.14 0.00 -0.37 -1.22 4.64 -1.92 -1.31 113.55 112.23 1jg9 h SER 252 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jg9 h SER 252 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1jg9 h SER 252 CO 0.53 0.07 0.00 2.22 -0.87 0.00 0.00 176.83 178.77 1jg9 n PHE 253 N -3.55 0.69 -4.05 4.77 1.16 -1.26 -4.67 117.46 110.55 1jg9 n PHE 253 Ca -0.02 -0.30 -0.32 0.00 -1.87 0.00 0.00 57.45 54.94 1jg9 n PHE 253 Cb 0.19 -0.09 -0.15 0.00 -1.61 0.00 0.00 39.48 37.82 1jg9 n PHE 253 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1jg9 s GLN 254 N -1.60 2.01 -0.24 3.97 -0.21 -0.49 -1.22 119.66 121.88 1jg9 s GLN 254 Ca 0.27 -1.44 -0.15 0.00 0.02 0.00 0.00 55.36 54.06 1jg9 s GLN 254 Cb 0.16 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 1jg9 s GLN 254 CO 0.16 -0.66 0.37 -1.58 -2.12 0.00 0.00 175.29 171.46 1jg9 s TRP 255 N 1.08 3.31 0.12 0.91 0.52 0.05 -4.41 118.94 120.53 1jg9 s TRP 255 Ca -0.04 0.49 -0.31 0.00 0.02 0.00 0.00 56.10 56.26 1jg9 s TRP 255 Cb -0.20 -2.53 -0.09 0.00 -1.15 0.00 0.00 33.47 29.50 1jg9 s TRP 255 CO -0.06 -0.11 1.59 -0.51 0.02 0.00 0.00 176.95 177.88 1jg9 s ASP 256 N 1.33 6.60 0.39 2.95 1.11 -0.75 -1.99 116.67 126.30 1jg9 s ASP 256 Ca 0.16 2.55 -0.25 0.00 0.18 0.00 0.00 52.55 55.19 1jg9 s ASP 256 Cb -0.15 -2.58 -0.09 0.00 1.07 0.00 0.00 42.92 41.17 1jg9 s ASP 256 CO 0.09 -0.84 1.12 -0.76 1.18 0.00 0.00 175.17 175.95 1jg9 s LEU 257 N 1.73 4.21 -0.88 1.23 1.43 0.22 -4.01 118.68 122.61 1jg9 s LEU 257 Ca 0.71 2.23 -0.17 0.00 -1.03 0.00 0.00 54.13 55.87 1jg9 s LEU 257 Cb -0.42 -4.04 0.17 0.00 0.03 0.00 0.00 46.19 41.92 1jg9 s LEU 257 CO 0.32 -0.56 0.97 0.21 0.23 0.00 0.00 176.35 177.52 1jg9 s ASN 258 N -1.26 6.67 0.00 2.29 3.04 0.36 -4.88 114.94 121.16 1jg9 s ASN 258 Ca 0.56 -2.29 0.20 0.00 0.04 0.00 0.00 52.86 51.37 1jg9 s ASN 258 Cb -0.28 -2.32 1.12 0.00 -1.54 0.00 0.00 41.25 38.23 1jg9 s ASN 258 CO 0.35 -0.87 1.63 -1.22 -3.04 0.00 0.00 177.10 173.95 1jg9 n TYR 259 N 5.51 0.00 0.88 0.43 4.01 -1.26 -2.16 117.16 124.56 1jg9 n TYR 259 Ca 0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 1jg9 n TYR 259 Cb 0.48 -0.16 0.51 0.00 -0.31 0.00 0.00 39.34 39.86 1jg9 n TYR 259 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1jg9 n SER 260 N -1.16 0.00 -4.47 7.72 3.41 -1.26 -4.36 113.62 113.50 1jg9 n SER 260 Ca 0.12 0.33 -0.41 0.00 -0.26 0.00 0.00 58.87 58.65 1jg9 n SER 260 Cb 0.12 -0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 1jg9 n SER 260 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jg9 s ASN 261 N -2.86 5.93 0.57 4.04 3.84 -0.92 -4.97 114.94 120.57 1jg9 s ASN 261 Ca 0.14 -0.68 0.28 0.00 0.21 0.00 0.00 52.86 52.81 1jg9 s ASN 261 Cb 0.15 -2.10 1.53 0.00 -0.55 0.00 0.00 41.25 40.27 1jg9 s ASN 261 CO 0.39 -0.32 2.00 1.55 -2.79 0.00 0.00 177.10 177.94 1jg9 h PRO 262 N 8.50 0.00 0.00 0.43 0.13 -1.87 -0.27 132.00 138.92 1jg9 h PRO 262 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1jg9 h PRO 262 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jg9 h PRO 262 CO 0.67 0.00 -0.01 -1.49 -0.23 0.00 0.00 178.00 176.94 1jg9 h TRP 263 N 0.00 0.00 -0.04 1.56 4.06 -1.92 -2.33 115.95 117.28 1jg9 h TRP 263 Ca 0.17 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.90 1jg9 h TRP 263 Cb 0.85 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1jg9 h TRP 263 CO 0.00 0.01 -0.89 0.28 -3.56 0.00 0.00 178.44 174.28 1jg9 h VAL 264 N 0.00 1.36 -0.23 1.49 2.07 -1.30 -1.94 116.25 117.71 1jg9 h VAL 264 Ca -0.00 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1jg9 h VAL 264 Cb 0.46 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1jg9 h VAL 264 CO 0.00 0.69 0.06 0.15 0.02 0.00 0.00 177.57 178.50 1jg9 h PHE 265 N 0.30 0.38 -0.58 1.57 3.04 -1.48 -1.00 116.94 119.16 1jg9 h PHE 265 Ca -0.07 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.86 1jg9 h PHE 265 Cb 1.52 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 39.88 1jg9 h PHE 265 CO 0.07 0.45 0.35 -0.09 -2.02 0.00 0.00 178.31 177.07 1jg9 h ARG 266 N 0.20 0.67 -0.42 1.11 1.12 -1.46 0.18 114.38 115.77 1jg9 h ARG 266 Ca 0.07 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 1jg9 h ARG 266 Cb 0.26 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 1jg9 h ARG 266 CO -0.00 0.44 0.28 0.00 -3.11 0.00 0.00 179.97 177.58 1jg9 h ALA 267 N 1.26 0.54 0.00 2.80 0.00 -1.11 -1.14 119.26 121.60 1jg9 h ALA 267 Ca 0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1jg9 h ALA 267 Cb 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jg9 h ALA 267 CO -0.11 -0.01 -0.58 0.52 0.00 0.00 0.00 179.25 179.07 1jg9 h MET 268 N 0.57 0.00 -0.22 0.00 2.86 -0.71 -2.63 114.93 114.79 1jg9 h MET 268 Ca 0.16 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1jg9 h MET 268 Cb -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1jg9 h MET 268 CO -0.04 0.58 -0.30 0.00 1.06 0.00 0.00 176.91 178.22 1jg9 h ALA 269 N 1.42 1.08 -0.64 6.32 0.00 -0.25 -1.38 119.26 125.81 1jg9 h ALA 269 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1jg9 h ALA 269 Cb 1.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1jg9 h ALA 269 CO 0.08 0.57 0.20 0.78 0.00 0.00 0.00 179.25 180.88 1jg9 h GLY 270 N 1.05 1.07 1.49 0.00 0.00 -0.88 -1.65 103.07 104.16 1jg9 h GLY 270 Ca 0.05 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.66 1jg9 h GLY 270 CO 0.06 0.59 -0.17 0.83 0.00 0.00 0.00 176.54 177.84 1jg9 h GLU 271 N 0.92 0.60 -0.71 4.80 4.39 -1.13 -2.23 114.58 121.23 1jg9 h GLU 271 Ca 0.21 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1jg9 h GLU 271 Cb 0.29 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1jg9 h GLU 271 CO -0.01 0.74 0.17 1.98 -1.16 0.00 0.00 179.01 180.74 1jg9 h MET 272 N 0.54 1.14 -0.24 2.33 4.05 -0.88 -1.94 114.93 119.92 1jg9 h MET 272 Ca 0.09 -0.28 -0.08 0.00 -0.28 0.00 0.00 59.70 59.15 1jg9 h MET 272 Cb 0.61 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1jg9 h MET 272 CO 0.04 1.00 -0.19 -0.07 0.23 0.00 0.00 176.91 177.92 1jg9 h LEU 273 N 1.07 0.41 -0.23 3.39 3.38 -1.04 0.27 115.31 122.57 1jg9 h LEU 273 Ca 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jg9 h LEU 273 Cb 0.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jg9 h LEU 273 CO 0.00 0.62 0.08 0.15 0.09 0.00 0.00 178.44 179.38 1jg9 h PHE 274 N 0.38 0.36 -0.71 1.13 3.57 -0.90 -1.56 116.94 119.22 1jg9 h PHE 274 Ca 0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1jg9 h PHE 274 Cb 0.56 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1jg9 h PHE 274 CO 0.02 0.42 0.23 -0.07 -2.23 0.00 0.00 178.31 176.68 1jg9 h LEU 275 N 0.20 1.02 -0.58 0.59 3.38 -1.04 -2.78 115.31 116.11 1jg9 h LEU 275 Ca 0.07 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1jg9 h LEU 275 Cb 0.22 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1jg9 h LEU 275 CO -0.00 0.95 0.25 0.00 0.09 0.00 0.00 178.44 179.73 1jg9 h ALA 276 N 1.11 0.75 0.00 1.53 0.00 -0.66 -1.73 119.26 120.27 1jg9 h ALA 276 Ca 0.23 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1jg9 h ALA 276 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jg9 h ALA 276 CO -0.01 -0.14 0.00 0.09 0.00 0.00 0.00 179.25 179.20 1jg9 n ASN 277 N -4.94 0.00 0.13 0.00 4.13 -0.61 -1.90 115.26 112.07 1jg9 n ASN 277 Ca 0.07 -0.16 0.13 0.00 1.68 0.00 0.00 54.58 56.30 1jg9 n ASN 277 Cb 0.22 -0.26 0.31 0.00 -1.54 0.00 0.00 39.78 38.51 1jg9 n ASN 277 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1jg9 h LEU 278 N 0.00 0.00 0.00 3.41 3.38 -1.08 -3.45 115.31 117.57 1jg9 h LEU 278 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1jg9 h LEU 278 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jg9 h LEU 278 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1jg9 n GLY 279 N 1.26 1.11 3.73 0.83 0.00 -0.80 -4.93 105.19 106.39 1jg9 n GLY 279 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1jg9 n GLY 279 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jg9 n VAL 280 N -1.30 1.55 -0.05 1.61 0.31 -1.20 -4.76 118.33 114.49 1jg9 n VAL 280 Ca 0.00 -0.39 -0.19 0.00 -0.01 0.00 0.00 64.34 63.75 1jg9 n VAL 280 Cb 0.00 -1.80 -0.13 0.00 -0.91 0.00 0.00 33.84 31.00 1jg9 n VAL 280 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1jg9 n ASP 281 N 1.30 1.93 -3.89 4.52 8.00 0.17 -4.62 116.55 123.96 1jg9 n ASP 281 Ca 0.06 0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1jg9 n ASP 281 Cb 0.36 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.73 1jg9 n ASP 281 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1jg9 s ILE 282 N -2.54 0.22 -0.19 0.53 1.01 -1.12 -1.36 121.20 117.76 1jg9 s ILE 282 Ca -0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1jg9 s ILE 282 Cb 0.08 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 1jg9 s ILE 282 CO 0.71 0.10 0.01 -0.76 0.00 0.00 0.00 174.94 174.99 1jg9 s LEU 283 N 0.32 3.36 -0.48 2.97 1.43 -0.27 -2.23 118.68 123.78 1jg9 s LEU 283 Ca -0.03 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1jg9 s LEU 283 Cb -0.06 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1jg9 s LEU 283 CO -0.01 0.10 1.05 -0.60 0.23 0.00 0.00 176.35 177.12 1jg9 s ARG 284 N 0.77 3.61 -0.76 1.70 3.52 -0.15 -0.83 118.95 126.80 1jg9 s ARG 284 Ca 0.01 0.33 -0.27 0.00 -0.13 0.00 0.00 55.73 55.67 1jg9 s ARG 284 Cb -0.14 -3.93 0.03 0.00 -1.56 0.00 0.00 34.95 29.34 1jg9 s ARG 284 CO 0.02 -1.35 1.36 -1.64 -0.81 0.00 0.00 175.30 172.88 1jg9 s MET 285 N 4.19 3.17 0.15 5.12 -1.94 0.12 -1.03 119.30 129.08 1jg9 s MET 285 Ca 0.42 -0.26 -0.30 0.00 -1.71 0.00 0.00 55.69 53.85 1jg9 s MET 285 Cb -0.09 -4.33 -0.07 0.00 2.01 0.00 0.00 34.83 32.36 1jg9 s MET 285 CO 0.29 -2.22 0.95 -0.51 -0.01 0.00 0.00 175.02 173.51 1jg9 s ASP 286 N 4.30 7.54 -1.47 3.03 1.01 -1.03 -2.25 116.67 127.80 1jg9 s ASP 286 Ca 0.39 1.83 -0.09 0.00 0.71 0.00 0.00 52.55 55.39 1jg9 s ASP 286 Cb -0.08 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.32 1jg9 s ASP 286 CO 0.13 0.00 0.85 0.00 0.21 0.00 0.00 175.17 176.36 1jg9 n ALA 287 N 2.40 -1.54 -0.00 5.23 0.00 -1.24 -4.26 120.51 121.10 1jg9 n ALA 287 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1jg9 n ALA 287 Cb 0.49 -3.51 0.54 0.00 0.00 0.00 0.00 19.45 16.97 1jg9 n ALA 287 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1jg9 h VAL 288 N -1.98 0.92 0.00 0.00 -1.51 -1.69 -2.64 116.25 109.35 1jg9 h VAL 288 Ca -0.59 -0.10 -0.01 0.00 -1.23 0.00 0.00 66.70 64.76 1jg9 h VAL 288 Cb 1.37 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1jg9 h VAL 288 CO 0.65 0.05 -0.04 0.00 -1.23 0.00 0.00 177.57 177.00 1jg9 h ALA 289 N 1.76 1.43 -0.12 5.19 0.00 -1.90 -3.17 119.26 122.45 1jg9 h ALA 289 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jg9 h ALA 289 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jg9 h ALA 289 CO -0.05 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1jg9 n PHE 290 N -3.76 0.13 1.06 0.00 3.72 -0.99 -0.59 117.46 117.02 1jg9 n PHE 290 Ca -0.03 -0.06 0.08 0.00 -0.05 0.00 0.00 57.45 57.39 1jg9 n PHE 290 Cb 0.14 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.14 1jg9 n PHE 290 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 1jg9 n ILE 291 N 1.06 0.00 -3.97 4.37 -5.35 -1.20 -4.64 119.36 109.63 1jg9 n ILE 291 Ca 0.16 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.49 1jg9 n ILE 291 Cb 0.53 -0.70 -0.15 0.00 -1.74 0.00 0.00 39.64 37.58 1jg9 n ILE 291 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 1jg9 s TRP 292 N -2.00 0.25 0.11 4.28 -0.11 -1.26 -4.51 118.94 115.70 1jg9 s TRP 292 Ca 0.23 -0.02 0.09 0.00 1.22 0.00 0.00 56.10 57.63 1jg9 s TRP 292 Cb 0.11 -0.25 -0.04 0.00 -1.50 0.00 0.00 33.47 31.79 1jg9 s TRP 292 CO 0.18 -0.05 -0.19 0.15 -4.62 0.00 0.00 176.95 172.41 1jg9 s LYS 293 N 0.39 1.77 -0.29 5.86 -0.14 -1.26 -4.42 119.74 121.65 1jg9 s LYS 293 Ca -0.04 -1.17 -0.08 0.00 -1.36 0.00 0.00 55.97 53.32 1jg9 s LYS 293 Cb -0.06 -2.09 0.14 0.00 -1.68 0.00 0.00 37.83 34.13 1jg9 s LYS 293 CO -0.01 0.48 0.61 -1.14 -0.76 0.00 0.00 175.35 174.54 1jg9 s GLN 294 N -2.01 0.55 0.21 1.68 2.00 -1.26 -5.05 119.66 115.77 1jg9 s GLN 294 Ca 0.17 1.31 -0.31 0.00 -2.00 0.00 0.00 55.36 54.53 1jg9 s GLN 294 Cb -0.10 0.73 -0.16 0.00 0.80 0.00 0.00 33.01 34.28 1jg9 s GLN 294 CO 0.09 -0.30 0.96 -0.12 -0.50 0.00 0.00 175.29 175.41 1jg9 n MET 295 N 5.44 0.88 -0.34 1.67 0.00 -1.26 -1.54 117.12 121.96 1jg9 n MET 295 Ca -0.09 0.31 0.00 0.00 -0.00 0.00 0.00 57.70 57.92 1jg9 n MET 295 Cb 0.49 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 32.07 1jg9 n MET 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jg9 n GLY 296 N 1.71 1.38 3.68 -5.12 0.00 -1.26 -5.03 105.19 100.55 1jg9 n GLY 296 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 1jg9 n GLY 296 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jg9 s THR 297 N -2.99 1.87 -1.06 2.61 -4.23 -0.59 -4.99 115.64 106.25 1jg9 s THR 297 Ca 0.00 -1.94 0.20 0.00 -1.18 0.00 0.00 61.69 58.78 1jg9 s THR 297 Cb 0.00 -2.80 0.20 0.00 1.34 0.00 0.00 72.50 71.23 1jg9 s THR 297 CO 0.00 0.00 1.65 -1.54 -0.54 0.00 0.00 174.62 174.19 1jg9 n SER 298 N -1.10 0.00 -3.02 3.99 3.41 -1.26 -4.63 113.62 111.02 1jg9 n SER 298 Ca -0.07 0.42 -0.23 0.00 -0.26 0.00 0.00 58.87 58.74 1jg9 n SER 298 Cb 0.67 -0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1jg9 n SER 298 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jg9 s GLU 300 N -5.70 0.18 -1.75 0.00 2.02 -1.26 -4.54 118.70 107.65 1jg9 s GLU 300 Ca 0.30 -0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.25 1jg9 s GLU 300 Cb -0.13 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.88 1jg9 s GLU 300 CO 0.37 0.01 0.00 0.09 0.02 0.00 0.00 175.26 175.75 1jg9 n ASN 301 N 3.26 -5.49 -4.78 -0.19 3.02 0.24 -4.96 115.26 106.36 1jg9 n ASN 301 Ca -0.15 0.12 -0.33 0.00 -0.03 0.00 0.00 54.58 54.19 1jg9 n ASN 301 Cb 0.57 -4.64 0.04 0.00 -0.61 0.00 0.00 39.78 35.14 1jg9 n ASN 301 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jg9 s LEU 302 N -5.67 3.39 0.24 3.41 1.43 -1.26 -4.91 118.68 115.30 1jg9 s LEU 302 Ca 0.00 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1jg9 s LEU 302 Cb 0.00 -4.54 0.43 0.00 0.03 0.00 0.00 46.19 42.11 1jg9 s LEU 302 CO 0.00 -1.55 1.67 -0.65 0.23 0.00 0.00 176.35 176.05 1jg9 h PRO 303 N 0.05 0.20 0.00 1.29 0.11 -1.98 -0.89 132.00 130.78 1jg9 h PRO 303 Ca -0.47 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1jg9 h PRO 303 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1jg9 h PRO 303 CO 0.55 0.13 -0.13 1.96 -0.21 0.00 0.00 178.00 180.30 1jg9 h GLN 304 N 0.21 0.00 -0.28 1.05 7.50 -1.94 -1.84 115.11 119.80 1jg9 h GLN 304 Ca 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.54 1jg9 h GLN 304 Cb 0.69 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 1jg9 h GLN 304 CO -0.54 0.13 0.12 0.00 -1.50 0.00 0.00 178.83 177.04 1jg9 h ALA 305 N 1.87 0.36 -0.76 3.87 0.00 -1.49 -0.12 119.26 122.99 1jg9 h ALA 305 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1jg9 h ALA 305 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1jg9 h ALA 305 CO 0.02 -0.06 0.25 0.45 0.00 0.00 0.00 179.25 179.91 1jg9 h HIS 306 N 0.31 1.21 -0.69 0.00 3.86 -1.38 -2.41 115.15 116.04 1jg9 h HIS 306 Ca 0.09 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1jg9 h HIS 306 Cb 0.15 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 1jg9 h HIS 306 CO -0.01 0.94 0.29 0.00 0.86 0.00 0.00 177.93 180.01 1jg9 h ALA 307 N 1.13 0.89 -0.61 2.45 0.00 -1.05 -1.28 119.26 120.79 1jg9 h ALA 307 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1jg9 h ALA 307 Cb 0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jg9 h ALA 307 CO -0.01 0.50 0.10 -0.07 0.00 0.00 0.00 179.25 179.77 1jg9 h LEU 308 N 0.97 0.95 -0.65 0.00 3.38 -0.84 -0.45 115.31 118.67 1jg9 h LEU 308 Ca 0.23 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1jg9 h LEU 308 Cb 0.19 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jg9 h LEU 308 CO -0.02 0.95 -0.19 0.40 0.09 0.00 0.00 178.44 179.67 1jg9 h ILE 309 N 0.94 1.27 0.00 1.22 2.04 -1.16 -1.33 117.51 120.49 1jg9 h ILE 309 Ca 0.19 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.65 1jg9 h ILE 309 Cb 0.41 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jg9 h ILE 309 CO 0.01 0.45 -0.38 0.03 0.00 0.00 0.00 178.15 178.26 1jg9 h ARG 310 N 0.75 0.00 -0.31 2.37 3.08 -0.80 -0.63 114.38 118.83 1jg9 h ARG 310 Ca 0.11 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 1jg9 h ARG 310 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1jg9 h ARG 310 CO 0.06 0.38 -0.16 0.00 -1.07 0.00 0.00 179.97 179.17 1jg9 h ALA 311 N 1.62 0.44 -0.93 0.04 0.00 -0.65 -1.74 119.26 118.04 1jg9 h ALA 311 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1jg9 h ALA 311 Cb 0.70 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1jg9 h ALA 311 CO 0.05 0.36 0.54 0.74 0.00 0.00 0.00 179.25 180.94 1jg9 h PHE 312 N 0.43 1.24 -0.25 0.00 -1.00 -0.82 -2.08 116.94 114.47 1jg9 h PHE 312 Ca 0.07 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 60.86 1jg9 h PHE 312 Cb 0.70 -0.40 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 1jg9 h PHE 312 CO 0.06 0.84 0.07 -0.97 -1.61 0.00 0.00 178.31 176.70 1jg9 h ASN 313 N 1.29 0.05 -0.60 2.17 -1.24 -0.87 -2.23 115.58 114.14 1jg9 h ASN 313 Ca 0.33 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.38 1jg9 h ASN 313 Cb -0.02 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.03 1jg9 h ASN 313 CO -0.06 0.06 0.40 0.00 -1.29 0.00 0.00 177.43 176.54 1jg9 h ALA 314 N 1.17 1.58 -0.81 1.57 0.00 -0.81 -1.17 119.26 120.78 1jg9 h ALA 314 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jg9 h ALA 314 Cb 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1jg9 h ALA 314 CO -0.13 0.38 0.48 0.28 0.00 0.00 0.00 179.25 180.26 1jg9 h VAL 315 N 0.80 1.23 -0.25 0.00 2.07 -0.80 -1.86 116.25 117.45 1jg9 h VAL 315 Ca 0.22 -0.53 -0.14 0.00 0.82 0.00 0.00 66.70 67.08 1jg9 h VAL 315 Cb -0.08 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1jg9 h VAL 315 CO -0.05 0.25 -0.41 0.24 0.02 0.00 0.00 177.57 177.61 1jg9 h MET 316 N 1.12 0.60 0.00 1.57 2.07 -0.96 0.11 114.93 119.43 1jg9 h MET 316 Ca 0.29 -0.31 -0.02 0.00 -2.07 0.00 0.00 59.70 57.59 1jg9 h MET 316 Cb -0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1jg9 h MET 316 CO -0.05 0.90 -0.09 0.00 1.07 0.00 0.00 176.91 178.74 1jg9 h ARG 317 N 0.49 0.00 0.09 1.72 2.47 -0.71 0.19 114.38 118.63 1jg9 h ARG 317 Ca 0.04 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.44 1jg9 h ARG 317 Cb 0.93 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.23 1jg9 h ARG 317 CO 0.08 0.09 -1.71 0.82 0.56 0.00 0.00 179.97 179.82 1jg9 h ILE 318 N 0.00 0.77 -0.00 2.04 2.04 -1.02 -3.40 117.51 117.94 1jg9 h ILE 318 Ca -0.00 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1jg9 h ILE 318 Cb 0.17 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1jg9 h ILE 318 CO 0.01 0.71 -0.52 0.00 0.00 0.00 0.00 178.15 178.36 1jg9 n ALA 319 N -3.10 3.50 -2.71 1.87 0.00 0.34 -4.83 120.51 115.57 1jg9 n ALA 319 Ca -0.31 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.67 1jg9 n ALA 319 Cb 0.93 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.98 1jg9 n ALA 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jg9 n ALA 320 N -0.99 -2.42 -0.08 0.00 0.00 0.47 -4.45 120.51 113.04 1jg9 n ALA 320 Ca 0.03 -0.88 0.26 0.00 0.00 0.00 0.00 53.44 52.86 1jg9 n ALA 320 Cb 0.22 -2.25 0.69 0.00 0.00 0.00 0.00 19.45 18.11 1jg9 n ALA 320 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jg9 h PRO 321 N 3.50 0.00 0.00 0.00 0.11 -1.23 -1.82 132.00 132.56 1jg9 h PRO 321 Ca -0.19 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 1jg9 h PRO 321 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jg9 h PRO 321 CO 0.07 0.00 -0.15 0.00 -0.21 0.00 0.00 178.00 177.72 1jg9 h ALA 322 N 1.28 1.02 -1.96 -0.75 0.00 -1.82 -3.44 119.26 113.60 1jg9 h ALA 322 Ca 0.35 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.56 1jg9 h ALA 322 Cb 1.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1jg9 h ALA 322 CO -0.00 0.18 0.87 0.08 0.00 0.00 0.00 179.25 180.38 1jg9 s VAL 323 N -3.66 4.42 0.30 0.00 1.01 -0.69 -4.81 120.40 116.98 1jg9 s VAL 323 Ca 0.01 1.63 0.07 0.00 0.00 0.00 0.00 61.98 63.69 1jg9 s VAL 323 Cb 0.10 -4.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 1jg9 s VAL 323 CO 0.61 -0.48 0.29 -0.36 0.00 0.00 0.00 175.10 175.16 1jg9 s PHE 324 N 3.80 3.02 0.04 5.22 0.40 -0.46 -4.91 117.98 125.09 1jg9 s PHE 324 Ca 0.48 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 1jg9 s PHE 324 Cb -0.13 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.68 1jg9 s PHE 324 CO 0.17 0.28 -0.11 -0.06 0.70 0.00 0.00 175.22 176.20 1jg9 s PHE 325 N -2.22 2.75 -0.23 0.36 0.08 -1.26 -1.11 117.98 116.35 1jg9 s PHE 325 Ca 0.38 -0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.32 1jg9 s PHE 325 Cb -0.07 -1.52 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 1jg9 s PHE 325 CO 0.27 0.35 -0.10 0.21 -0.10 0.00 0.00 175.22 175.85 1jg9 s LYS 326 N -1.64 2.07 0.10 0.44 2.20 -0.01 -2.40 119.74 120.50 1jg9 s LYS 326 Ca 0.18 -1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 54.39 1jg9 s LYS 326 Cb -0.11 -2.67 -0.06 0.00 -1.51 0.00 0.00 37.83 33.48 1jg9 s LYS 326 CO 0.09 -0.52 1.18 0.45 -0.36 0.00 0.00 175.35 176.19 1jg9 s SER 327 N 1.27 7.11 -0.67 1.43 0.15 -0.22 0.15 113.70 122.92 1jg9 s SER 327 Ca -0.05 2.06 -0.00 0.00 0.70 0.00 0.00 55.95 58.65 1jg9 s SER 327 Cb -0.18 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.71 1jg9 s SER 327 CO -0.07 -0.42 0.48 -0.70 1.20 0.00 0.00 173.24 173.73 1jg9 s GLU 328 N 0.66 2.57 -0.35 5.44 -6.30 -0.95 -1.65 118.70 118.12 1jg9 s GLU 328 Ca 0.56 -2.81 0.03 0.00 -2.50 0.00 0.00 54.97 50.26 1jg9 s GLU 328 Cb -0.30 -3.65 0.10 0.00 0.00 0.00 0.00 34.13 30.28 1jg9 s GLU 328 CO 0.31 -1.19 0.08 0.00 0.02 0.00 0.00 175.26 174.48 1jg9 s ALA 329 N -0.55 2.66 -1.15 6.30 0.00 -1.26 -3.66 121.76 124.10 1jg9 s ALA 329 Ca 0.20 -2.44 -0.09 0.00 0.00 0.00 0.00 51.96 49.63 1jg9 s ALA 329 Cb -0.17 -1.92 0.25 0.00 0.00 0.00 0.00 23.12 21.28 1jg9 s ALA 329 CO -0.06 -1.72 1.31 -0.89 0.00 0.00 0.00 175.76 174.40 1jg9 n ILE 330 N 4.25 4.61 -4.04 0.00 2.08 -1.26 -4.79 119.36 120.21 1jg9 n ILE 330 Ca 0.03 -5.24 -0.03 0.00 0.56 0.00 0.00 62.75 58.07 1jg9 n ILE 330 Cb 0.41 -2.46 -0.01 0.00 -0.75 0.00 0.00 39.64 36.83 1jg9 n ILE 330 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1jg9 n VAL 331 N 2.98 0.00 -1.70 1.39 0.24 -1.26 -5.07 118.33 114.90 1jg9 n VAL 331 Ca 0.29 -0.30 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 1jg9 n VAL 331 Cb 0.39 0.15 -0.01 0.00 -1.47 0.00 0.00 33.84 32.89 1jg9 n VAL 331 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1jg9 n HIS 332 N -0.08 2.35 -0.30 6.34 -0.00 -1.26 -4.65 115.22 117.62 1jg9 n HIS 332 Ca 0.01 0.52 0.21 0.00 0.46 0.00 0.00 57.72 58.92 1jg9 n HIS 332 Cb 0.08 -2.44 0.50 0.00 -0.12 0.00 0.00 29.99 28.01 1jg9 n HIS 332 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jg9 h PRO 333 N 2.87 0.41 0.00 1.57 0.11 -1.91 0.21 132.00 135.26 1jg9 h PRO 333 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1jg9 h PRO 333 Cb 1.28 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jg9 h PRO 333 CO 0.65 0.27 -0.20 -0.44 -0.21 0.00 0.00 178.00 178.07 1jg9 h ASP 334 N 0.42 0.00 0.43 -2.05 3.32 -1.97 -2.97 116.42 113.60 1jg9 h ASP 334 Ca 0.55 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.30 1jg9 h ASP 334 Cb 1.36 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 1jg9 h ASP 334 CO -0.26 0.20 -1.77 0.00 -1.72 0.00 0.00 179.24 175.69 1jg9 n GLN 335 N -4.09 0.65 -0.07 3.56 1.13 0.57 -4.21 117.38 114.93 1jg9 n GLN 335 Ca -0.02 0.28 -0.07 0.00 -1.94 0.00 0.00 57.00 55.25 1jg9 n GLN 335 Cb 0.27 -1.77 -0.01 0.00 0.11 0.00 0.00 30.24 28.84 1jg9 n GLN 335 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1jg9 h VAL 336 N 0.01 0.83 0.00 5.09 2.07 -0.96 -2.67 116.25 120.62 1jg9 h VAL 336 Ca -0.31 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1jg9 h VAL 336 Cb 2.02 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1jg9 h VAL 336 CO 0.08 0.02 -0.02 0.58 0.02 0.00 0.00 177.57 178.25 1jg9 h VAL 337 N 0.10 0.05 0.00 2.57 2.07 -1.73 -2.94 116.25 116.37 1jg9 h VAL 337 Ca 0.12 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jg9 h VAL 337 Cb 0.15 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1jg9 h VAL 337 CO -0.20 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.41 1jg9 n GLN 338 N -3.13 0.14 0.05 1.57 6.02 -1.00 -2.06 117.38 118.96 1jg9 n GLN 338 Ca -0.00 0.37 0.12 0.00 -0.01 0.00 0.00 57.00 57.47 1jg9 n GLN 338 Cb 0.26 -1.76 0.16 0.00 1.02 0.00 0.00 30.24 29.92 1jg9 n GLN 338 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1jg9 n TYR 339 N -2.03 0.44 -3.20 1.08 4.01 -1.11 -4.85 117.16 111.49 1jg9 n TYR 339 Ca 0.03 0.13 -0.40 0.00 -0.16 0.00 0.00 57.90 57.49 1jg9 n TYR 339 Cb 0.22 -0.57 -0.07 0.00 -0.31 0.00 0.00 39.34 38.61 1jg9 n TYR 339 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1jg9 s ILE 340 N -3.15 5.05 -0.24 -0.72 1.01 -0.88 -1.78 121.20 120.49 1jg9 s ILE 340 Ca 0.06 0.95 -0.32 0.00 0.00 0.00 0.00 60.65 61.34 1jg9 s ILE 340 Cb 0.14 -3.86 0.16 0.00 0.01 0.00 0.00 42.46 38.92 1jg9 s ILE 340 CO 0.73 0.07 1.27 -0.83 0.00 0.00 0.00 174.94 176.18 1jg9 s GLY 341 N 1.52 -0.11 0.34 6.18 0.00 0.01 -4.88 107.32 110.38 1jg9 s GLY 341 Ca 0.23 2.22 0.05 0.00 0.00 0.00 0.00 44.72 47.22 1jg9 s GLY 341 CO 0.09 0.85 1.92 -1.61 0.00 0.00 0.00 173.10 174.35 1jg9 h GLN 342 N 2.09 0.78 -0.27 2.90 4.15 -1.81 -1.60 115.11 121.35 1jg9 h GLN 342 Ca -0.09 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1jg9 h GLN 342 Cb 1.17 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1jg9 h GLN 342 CO 0.23 0.52 0.00 -0.25 -1.93 0.00 0.00 178.83 177.40 1jg9 n ASP 343 N -4.50 2.13 0.00 -0.69 8.00 -1.26 -4.68 116.55 115.55 1jg9 n ASP 343 Ca 0.13 -1.83 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1jg9 n ASP 343 Cb 0.29 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1jg9 n ASP 343 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1jg9 n GLU 344 N 0.63 0.00 -3.71 -1.24 2.13 -0.62 -4.42 120.64 113.41 1jg9 n GLU 344 Ca 0.16 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.61 1jg9 n GLU 344 Cb 0.39 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.97 1jg9 n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jg9 h GLN 346 N 8.29 0.00 -4.84 0.00 7.50 -1.48 0.06 115.11 124.64 1jg9 h GLN 346 Ca -0.33 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 58.54 1jg9 h GLN 346 Cb 1.14 0.00 -0.15 0.00 0.05 0.00 0.00 27.48 28.53 1jg9 h GLN 346 CO 0.61 0.15 -0.68 0.96 -1.50 0.00 0.00 178.83 178.36 1jg9 s ILE 347 N -4.60 0.81 -0.11 2.54 -4.36 -1.01 -1.57 121.20 112.89 1jg9 s ILE 347 Ca -0.04 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.06 1jg9 s ILE 347 Cb 0.15 -1.96 0.08 0.00 1.25 0.00 0.00 42.46 41.98 1jg9 s ILE 347 CO 0.67 -0.63 0.76 -0.83 0.24 0.00 0.00 174.94 175.15 1jg9 s GLY 348 N -3.15 -0.50 0.59 6.27 0.00 -0.96 -1.05 107.32 108.52 1jg9 s GLY 348 Ca 0.19 1.62 -0.20 0.00 0.00 0.00 0.00 44.72 46.33 1jg9 s GLY 348 CO 0.01 1.13 1.22 -1.72 0.00 0.00 0.00 173.10 173.74 1jg9 n TYR 349 N 1.19 1.76 -3.39 1.90 4.02 -0.66 -0.77 117.16 121.22 1jg9 n TYR 349 Ca -0.16 0.44 -0.33 0.00 -0.01 0.00 0.00 57.90 57.84 1jg9 n TYR 349 Cb 0.57 -2.27 -0.06 0.00 -0.02 0.00 0.00 39.34 37.56 1jg9 n TYR 349 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1jg9 n ASN 350 N -1.14 4.46 0.27 7.72 5.15 -0.69 -4.75 115.26 126.29 1jg9 n ASN 350 Ca 0.13 -3.37 0.12 0.00 -0.60 0.00 0.00 54.58 50.86 1jg9 n ASN 350 Cb 0.46 -0.89 0.78 0.00 -0.53 0.00 0.00 39.78 39.60 1jg9 n ASN 350 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jg9 h PRO 351 N 4.87 0.00 -0.03 1.20 0.13 -1.87 -2.84 132.00 133.45 1jg9 h PRO 351 Ca 0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1jg9 h PRO 351 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 1jg9 h PRO 351 CO 0.96 0.05 0.01 1.25 -0.23 0.00 0.00 178.00 180.04 1jg9 h LEU 352 N 0.00 0.05 -0.58 1.56 5.85 -1.91 0.14 115.31 120.42 1jg9 h LEU 352 Ca -0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1jg9 h LEU 352 Cb 0.12 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1jg9 h LEU 352 CO 0.01 0.25 0.32 -0.61 -0.34 0.00 0.00 178.44 178.07 1jg9 h GLN 353 N -0.16 0.80 0.22 1.25 4.15 -1.91 -0.97 115.11 118.49 1jg9 h GLN 353 Ca 0.01 -0.09 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1jg9 h GLN 353 Cb 0.22 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1jg9 h GLN 353 CO -0.00 0.61 -0.18 1.98 -1.93 0.00 0.00 178.83 179.32 1jg9 h MET 354 N 0.78 -0.39 -0.82 1.69 4.05 -1.36 -0.32 114.93 118.57 1jg9 h MET 354 Ca 0.20 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 1jg9 h MET 354 Cb 0.04 0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1jg9 h MET 354 CO -0.03 -0.26 0.48 0.00 0.23 0.00 0.00 176.91 177.32 1jg9 h ALA 355 N 0.34 1.31 0.00 0.39 0.00 -0.57 -2.21 119.26 118.52 1jg9 h ALA 355 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jg9 h ALA 355 Cb 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jg9 h ALA 355 CO -0.02 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.64 1jg9 h LEU 356 N 1.13 0.00 -0.38 0.00 3.38 -0.83 -1.05 115.31 117.56 1jg9 h LEU 356 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1jg9 h LEU 356 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1jg9 h LEU 356 CO -0.05 0.11 0.05 -0.07 0.09 0.00 0.00 178.44 178.57 1jg9 h LEU 357 N 0.00 0.61 -0.48 1.67 3.38 -0.41 -0.73 115.31 119.35 1jg9 h LEU 357 Ca -0.00 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1jg9 h LEU 357 Cb 0.78 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1jg9 h LEU 357 CO 0.01 0.72 -0.50 -0.50 0.09 0.00 0.00 178.44 178.27 1jg9 h TRP 358 N 0.47 0.86 -0.56 1.13 4.06 -1.40 -2.51 115.95 117.99 1jg9 h TRP 358 Ca 0.11 -0.29 0.04 0.00 2.06 0.00 0.00 58.89 60.82 1jg9 h TRP 358 Cb 0.38 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 1jg9 h TRP 358 CO 0.03 1.05 0.31 -0.97 -3.56 0.00 0.00 178.44 175.30 1jg9 h ASN 359 N 0.55 0.47 0.00 -3.49 -1.24 -1.02 -2.38 115.58 108.47 1jg9 h ASN 359 Ca 0.02 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.98 1jg9 h ASN 359 Cb 1.05 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 1jg9 h ASN 359 CO 0.10 0.32 -0.20 0.74 -1.29 0.00 0.00 177.43 177.10 1jg9 h THR 360 N 0.60 1.24 -0.41 -3.57 2.02 -0.97 -0.85 112.91 110.97 1jg9 h THR 360 Ca 0.24 -1.09 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 1jg9 h THR 360 Cb 0.11 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 1jg9 h THR 360 CO -0.14 0.34 -0.12 -0.07 0.37 0.00 0.00 175.52 175.90 1jg9 h LEU 361 N 0.33 0.72 -0.01 2.58 3.38 -1.00 0.32 115.31 121.64 1jg9 h LEU 361 Ca 0.06 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jg9 h LEU 361 Cb 0.55 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jg9 h LEU 361 CO 0.04 0.87 -0.01 0.00 0.09 0.00 0.00 178.44 179.42 1jg9 h ALA 362 N 1.20 0.01 0.00 1.53 0.00 -0.93 -3.33 119.26 117.74 1jg9 h ALA 362 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jg9 h ALA 362 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jg9 h ALA 362 CO 0.04 -0.21 -0.46 1.79 0.00 0.00 0.00 179.25 180.41 1jg9 h THR 363 N -0.50 0.14 0.00 0.00 1.35 -1.17 -3.47 112.91 109.25 1jg9 h THR 363 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1jg9 h THR 363 Cb 0.55 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 1jg9 h THR 363 CO 0.00 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 175.89 1jg9 n ARG 364 N -2.97 -0.41 -4.22 4.72 3.00 0.11 -4.97 116.66 111.92 1jg9 n ARG 364 Ca 0.02 0.10 -0.34 0.00 -0.01 0.00 0.00 57.85 57.62 1jg9 n ARG 364 Cb 0.58 -3.68 -0.14 0.00 0.00 0.00 0.00 32.46 29.22 1jg9 n ARG 364 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1jg9 s GLU 365 N -0.69 3.37 0.00 5.56 2.02 -1.25 -4.25 118.70 123.46 1jg9 s GLU 365 Ca 0.00 -0.65 0.24 0.00 0.02 0.00 0.00 54.97 54.57 1jg9 s GLU 365 Cb 0.00 -2.85 1.32 0.00 0.10 0.00 0.00 34.13 32.70 1jg9 s GLU 365 CO 0.00 -0.04 1.86 1.33 0.02 0.00 0.00 175.26 178.43 1jg9 n VAL 366 N 4.31 0.02 -0.24 2.63 0.24 -0.46 -4.48 118.33 120.35 1jg9 n VAL 366 Ca -0.18 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.00 1jg9 n VAL 366 Cb 0.51 -0.23 -0.00 0.00 -1.47 0.00 0.00 33.84 32.65 1jg9 n VAL 366 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jg9 h ASN 367 N 0.42 -1.35 -0.57 -1.34 7.08 -1.95 0.27 115.58 118.14 1jg9 h ASN 367 Ca 0.00 0.25 -0.05 0.00 -3.08 0.00 0.00 56.30 53.42 1jg9 h ASN 367 Cb 0.09 0.65 -0.02 0.00 -2.08 0.00 0.00 38.32 36.96 1jg9 h ASN 367 CO 0.00 -0.31 0.14 -0.07 -2.08 0.00 0.00 177.43 175.11 1jg9 h LEU 368 N -0.15 0.86 -0.28 6.14 3.38 -1.98 -1.75 115.31 121.53 1jg9 h LEU 368 Ca 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1jg9 h LEU 368 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1jg9 h LEU 368 CO -0.75 0.86 0.11 0.25 0.09 0.00 0.00 178.44 179.00 1jg9 h LEU 369 N 0.81 0.39 -0.97 1.67 5.85 -1.61 -1.68 115.31 119.78 1jg9 h LEU 369 Ca 0.18 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1jg9 h LEU 369 Cb 0.34 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1jg9 h LEU 369 CO 0.00 0.46 0.64 -0.74 -0.34 0.00 0.00 178.44 178.46 1jg9 h HIS 370 N 0.30 1.21 -0.34 1.25 2.76 -0.38 -0.69 115.15 119.26 1jg9 h HIS 370 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1jg9 h HIS 370 Cb 0.20 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 1jg9 h HIS 370 CO -0.00 0.74 0.21 0.37 -1.30 0.00 0.00 177.93 177.95 1jg9 h GLN 371 N 1.28 0.45 -0.43 5.26 4.15 -1.04 -0.93 115.11 123.85 1jg9 h GLN 371 Ca 0.37 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 1jg9 h GLN 371 Cb -0.10 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1jg9 h GLN 371 CO -0.09 0.32 0.11 0.00 -1.93 0.00 0.00 178.83 177.24 1jg9 h ALA 372 N 1.10 0.56 0.00 3.38 0.00 -0.70 -1.05 119.26 122.55 1jg9 h ALA 372 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jg9 h ALA 372 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1jg9 h ALA 372 CO -0.02 0.23 -0.22 -0.07 0.00 0.00 0.00 179.25 179.17 1jg9 h LEU 373 N 0.55 0.00 0.22 0.00 3.38 -0.98 0.12 115.31 118.61 1jg9 h LEU 373 Ca 0.14 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.77 1jg9 h LEU 373 Cb 0.30 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.07 1jg9 h LEU 373 CO -0.00 0.22 -1.55 0.74 0.09 0.00 0.00 178.44 177.93 1jg9 h THR 374 N 0.00 1.15 0.00 0.22 2.02 -0.83 -3.37 112.91 112.09 1jg9 h THR 374 Ca -0.00 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.57 1jg9 h THR 374 Cb 0.57 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1jg9 h THR 374 CO 0.03 0.82 -0.57 -1.22 0.37 0.00 0.00 175.52 174.95 1jg9 n TYR 375 N -3.70 0.00 -0.83 3.16 4.01 -0.43 -4.75 117.16 114.62 1jg9 n TYR 375 Ca -0.20 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.56 1jg9 n TYR 375 Cb 1.07 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 40.10 1jg9 n TYR 375 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jg9 n ARG 376 N -1.30 1.36 -0.10 -0.72 1.74 0.40 -4.87 116.66 113.16 1jg9 n ARG 376 Ca 0.01 -1.42 -0.23 0.00 -0.77 0.00 0.00 57.85 55.44 1jg9 n ARG 376 Cb 0.13 -0.91 -0.11 0.00 -1.02 0.00 0.00 32.46 30.55 1jg9 n ARG 376 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1jg9 n HIS 377 N -0.51 0.80 -2.03 -1.55 -0.00 -1.10 -4.94 115.22 105.89 1jg9 n HIS 377 Ca 0.04 0.32 -0.41 0.00 0.46 0.00 0.00 57.72 58.12 1jg9 n HIS 377 Cb 0.48 -1.08 -0.02 0.00 -0.12 0.00 0.00 29.99 29.24 1jg9 n HIS 377 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 1jg9 s ASN 378 N -7.00 6.67 0.39 0.26 0.01 -1.26 -4.98 114.94 109.02 1jg9 s ASN 378 Ca -0.30 2.70 0.08 0.00 -0.71 0.00 0.00 52.86 54.63 1jg9 s ASN 378 Cb 0.08 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.03 1jg9 s ASN 378 CO 0.59 -0.66 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.74 1jg9 s LEU 379 N -0.98 2.83 0.92 0.60 1.43 -1.26 -5.14 118.68 117.09 1jg9 s LEU 379 Ca 0.55 -1.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1jg9 s LEU 379 Cb -0.41 -0.95 0.15 0.00 0.03 0.00 0.00 46.19 45.00 1jg9 s LEU 379 CO 0.48 -0.36 1.11 -2.84 0.23 0.00 0.00 176.35 174.97 1jg9 s PRO 380 N -3.68 0.99 0.68 1.29 0.02 -1.26 -4.94 135.00 128.11 1jg9 s PRO 380 Ca 0.34 1.25 -0.17 0.00 0.02 0.00 0.00 61.00 62.45 1jg9 s PRO 380 Cb 0.07 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1jg9 s PRO 380 CO 0.18 -2.55 1.16 0.39 -0.33 0.00 0.00 177.00 175.85 1jg9 n GLU 381 N -4.15 0.80 -1.99 5.54 1.02 -1.26 -3.08 120.64 117.53 1jg9 n GLU 381 Ca 0.09 0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 57.40 1jg9 n GLU 381 Cb 0.53 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 1jg9 n GLU 381 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1jg9 n HIS 382 N -2.25 -0.48 -4.12 -0.32 8.25 -1.26 -4.60 115.22 110.44 1jg9 n HIS 382 Ca 0.15 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.52 1jg9 n HIS 382 Cb 0.49 -3.14 -0.10 0.00 1.12 0.00 0.00 29.99 28.35 1jg9 n HIS 382 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1jg9 s THR 383 N -2.74 0.22 0.13 1.59 -4.23 -1.18 -4.49 115.64 104.95 1jg9 s THR 383 Ca 0.00 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 1jg9 s THR 383 Cb 0.00 -1.76 0.05 0.00 1.34 0.00 0.00 72.50 72.13 1jg9 s THR 383 CO 0.00 -0.76 0.50 0.00 -0.54 0.00 0.00 174.62 173.82 1jg9 s ALA 384 N -3.94 -1.27 0.35 3.99 0.00 -0.61 -4.86 121.76 115.42 1jg9 s ALA 384 Ca 0.15 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.30 1jg9 s ALA 384 Cb 0.08 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.90 1jg9 s ALA 384 CO -0.04 -0.69 0.63 -1.58 0.00 0.00 0.00 175.76 174.08 1jg9 s TRP 385 N -3.66 3.49 -0.34 0.00 0.52 -1.26 -2.26 118.94 115.43 1jg9 s TRP 385 Ca 0.01 0.71 -0.06 0.00 0.02 0.00 0.00 56.10 56.79 1jg9 s TRP 385 Cb 0.00 -2.18 0.04 0.00 -1.15 0.00 0.00 33.47 30.19 1jg9 s TRP 385 CO -0.12 0.04 0.10 0.08 0.02 0.00 0.00 176.95 177.07 1jg9 s VAL 386 N -2.28 3.67 -0.10 4.03 1.01 0.05 -0.02 120.40 126.76 1jg9 s VAL 386 Ca 0.45 -1.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1jg9 s VAL 386 Cb -0.10 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1jg9 s VAL 386 CO 0.33 -0.19 0.39 0.20 0.00 0.00 0.00 175.10 175.84 1jg9 s ASN 387 N 1.41 6.63 0.14 3.32 0.01 -0.10 -1.70 114.94 124.66 1jg9 s ASN 387 Ca -0.02 0.74 -0.04 0.00 -0.71 0.00 0.00 52.86 52.83 1jg9 s ASN 387 Cb -0.20 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 1jg9 s ASN 387 CO 0.02 0.13 0.15 -0.72 -1.51 0.00 0.00 177.10 175.17 1jg9 s TYR 388 N 0.08 0.65 -0.18 2.20 1.13 -1.26 -0.77 117.35 119.21 1jg9 s TYR 388 Ca 0.22 -1.03 -0.02 0.00 -1.41 0.00 0.00 57.07 54.83 1jg9 s TYR 388 Cb -0.15 -0.29 -0.10 0.00 -1.10 0.00 0.00 41.96 40.32 1jg9 s TYR 388 CO 0.09 -0.60 -0.18 0.28 -2.51 0.00 0.00 175.55 172.63 1jg9 n VAL 389 N -0.14 0.99 -4.05 -3.49 0.31 -1.26 -4.36 118.33 106.32 1jg9 n VAL 389 Ca -0.06 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 1jg9 n VAL 389 Cb 0.63 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.16 1jg9 n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1jg9 s ARG 390 N -2.34 1.07 0.10 5.55 1.81 -1.26 -4.98 118.95 118.89 1jg9 s ARG 390 Ca -0.24 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 52.47 1jg9 s ARG 390 Cb 0.07 0.32 -0.00 0.00 -0.45 0.00 0.00 34.95 34.89 1jg9 s ARG 390 CO 0.37 -0.36 0.12 -1.13 -0.68 0.00 0.00 175.30 173.62 1jg9 n SER 391 N -0.17 -0.32 0.02 0.23 3.41 -1.26 -4.48 113.62 111.05 1jg9 n SER 391 Ca -0.06 -1.57 0.11 0.00 -0.26 0.00 0.00 58.87 57.10 1jg9 n SER 391 Cb 0.63 0.63 0.48 0.00 -0.26 0.00 0.00 64.21 65.70 1jg9 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jg9 n HIS 392 N -0.17 0.15 -2.94 7.33 1.44 -1.26 -4.82 115.22 114.95 1jg9 n HIS 392 Ca 0.01 0.05 -0.18 0.00 -2.01 0.00 0.00 57.72 55.59 1jg9 n HIS 392 Cb 0.17 -0.58 0.01 0.00 0.12 0.00 0.00 29.99 29.71 1jg9 n HIS 392 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1jg9 s ASP 393 N -3.24 5.59 0.91 4.39 1.01 -1.26 -4.90 116.67 119.17 1jg9 s ASP 393 Ca 0.11 -0.35 -0.12 0.00 0.71 0.00 0.00 52.55 52.90 1jg9 s ASP 393 Cb 0.14 -0.70 0.14 0.00 1.01 0.00 0.00 42.92 43.52 1jg9 s ASP 393 CO 0.44 -0.83 1.09 1.51 0.21 0.00 0.00 175.17 177.59 1jg9 s ASP 394 N -4.36 3.28 -0.20 0.27 -4.77 -1.26 -4.95 116.67 104.68 1jg9 s ASP 394 Ca 0.55 1.52 -0.14 0.00 -3.30 0.00 0.00 52.55 51.18 1jg9 s ASP 394 Cb -0.10 -2.19 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 1jg9 s ASP 394 CO 0.34 -2.76 0.31 -0.63 0.70 0.00 0.00 175.17 173.13 1jg9 s ILE 395 N -2.89 5.26 -0.01 2.11 1.01 0.78 -4.89 121.20 122.57 1jg9 s ILE 395 Ca 0.64 0.53 0.03 0.00 0.00 0.00 0.00 60.65 61.85 1jg9 s ILE 395 Cb -0.19 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1jg9 s ILE 395 CO 0.57 0.31 -0.08 -0.83 0.00 0.00 0.00 174.94 174.91 1jg9 s GLY 396 N 0.92 1.71 -1.33 6.18 0.00 -1.26 -1.60 107.32 111.93 1jg9 s GLY 396 Ca 0.15 -1.01 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 1jg9 s GLY 396 CO 0.06 -0.86 2.14 0.79 0.00 0.00 0.00 173.10 175.23 1jg9 n TRP 397 N 1.73 2.83 -0.82 1.90 7.02 -1.26 -4.76 117.44 124.08 1jg9 n TRP 397 Ca -0.16 -2.83 -0.09 0.00 -1.02 0.00 0.00 57.50 53.40 1jg9 n TRP 397 Cb 0.53 -2.00 -0.07 0.00 -2.42 0.00 0.00 31.31 27.35 1jg9 n TRP 397 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1jg9 n THR 398 N 2.99 2.58 -2.49 -0.99 -2.24 -1.26 -4.89 114.28 107.99 1jg9 n THR 398 Ca 0.50 -1.21 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 1jg9 n THR 398 Cb 0.32 -1.69 0.03 0.00 -2.10 0.00 0.00 70.33 66.89 1jg9 n THR 398 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1jg9 s PHE 399 N 0.07 3.26 -0.07 4.78 -0.12 -1.26 -4.32 117.98 120.31 1jg9 s PHE 399 Ca 0.34 0.59 -0.23 0.00 -0.05 0.00 0.00 56.93 57.58 1jg9 s PHE 399 Cb 0.18 -2.66 -0.04 0.00 -0.63 0.00 0.00 43.02 39.87 1jg9 s PHE 399 CO -0.02 -0.74 0.69 0.00 -0.05 0.00 0.00 175.22 175.10 1jg9 s ALA 400 N -2.92 3.34 0.37 1.99 0.00 -1.26 -4.89 121.76 118.39 1jg9 s ALA 400 Ca 0.53 0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.66 1jg9 s ALA 400 Cb -0.10 -2.94 0.70 0.00 0.00 0.00 0.00 23.12 20.78 1jg9 s ALA 400 CO 0.44 -0.09 1.97 -0.44 0.00 0.00 0.00 175.76 177.64 1jg9 h ASP 401 N 6.73 0.53 -0.63 0.00 3.32 -1.97 -0.86 116.42 123.54 1jg9 h ASP 401 Ca -0.41 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1jg9 h ASP 401 Cb 1.20 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 1jg9 h ASP 401 CO 0.75 0.47 0.16 -0.33 -1.72 0.00 0.00 179.24 178.57 1jg9 h GLU 402 N 0.59 1.01 -0.21 3.56 3.07 -1.96 0.49 114.58 121.13 1jg9 h GLU 402 Ca 0.15 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1jg9 h GLU 402 Cb 0.10 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1jg9 h GLU 402 CO -0.02 0.91 0.04 -0.44 -1.40 0.00 0.00 179.01 178.11 1jg9 h ASP 403 N 0.93 0.33 -0.81 1.42 3.32 -1.78 -2.92 116.42 116.91 1jg9 h ASP 403 Ca 0.20 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1jg9 h ASP 403 Cb 0.35 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1jg9 h ASP 403 CO 0.00 0.50 0.46 0.00 -1.72 0.00 0.00 179.24 178.49 1jg9 h ALA 404 N 0.84 1.04 -0.10 3.45 0.00 -0.98 -2.51 119.26 121.00 1jg9 h ALA 404 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jg9 h ALA 404 Cb 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1jg9 h ALA 404 CO 0.00 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.80 1jg9 h ALA 405 N 1.25 1.85 0.00 0.00 0.00 -0.78 0.59 119.26 122.16 1jg9 h ALA 405 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1jg9 h ALA 405 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jg9 h ALA 405 CO -0.05 0.12 -0.15 -0.92 0.00 0.00 0.00 179.25 178.26 1jg9 h TYR 406 N 0.14 0.00 -0.28 0.00 5.03 -1.26 -1.57 116.97 119.03 1jg9 h TYR 406 Ca 0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1jg9 h TYR 406 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.35 1jg9 h TYR 406 CO 0.00 0.15 0.00 1.28 -1.32 0.00 0.00 178.16 178.27 1jg9 n LEU 407 N -3.53 2.85 -0.31 2.82 4.77 0.03 -4.92 117.00 118.71 1jg9 n LEU 407 Ca -0.01 -1.19 -0.03 0.00 -0.03 0.00 0.00 56.01 54.75 1jg9 n LEU 407 Cb 0.30 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1jg9 n LEU 407 CO 0.31 0.60 -0.04 0.61 -1.33 0.00 0.00 177.39 177.54 1jg9 n GLY 408 N 1.38 0.32 3.39 -0.72 0.00 -0.59 -5.04 105.19 103.93 1jg9 n GLY 408 Ca 0.18 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1jg9 n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jg9 s ILE 409 N -2.14 3.25 -0.39 -0.61 1.01 -0.24 -4.99 121.20 117.10 1jg9 s ILE 409 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 59.81 1jg9 s ILE 409 Cb 0.00 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1jg9 s ILE 409 CO 0.00 0.51 0.89 -0.55 0.00 0.00 0.00 174.94 175.79 1jg9 s SER 410 N 0.43 6.60 0.17 3.58 0.15 -1.26 -2.94 113.70 120.42 1jg9 s SER 410 Ca -0.08 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 56.80 1jg9 s SER 410 Cb -0.15 -2.44 0.10 0.00 -1.71 0.00 0.00 66.02 61.81 1jg9 s SER 410 CO 0.04 -0.87 1.67 1.23 1.20 0.00 0.00 173.24 176.51 1jg9 h GLY 411 N 10.10 0.30 1.00 9.45 0.00 -1.93 0.62 103.07 122.62 1jg9 h GLY 411 Ca -0.24 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1jg9 h GLY 411 CO 0.97 -0.15 -0.11 -1.82 0.00 0.00 0.00 176.54 175.44 1jg9 h TYR 412 N 0.01 -0.28 -0.51 5.60 5.03 -1.99 -0.57 116.97 124.27 1jg9 h TYR 412 Ca 0.19 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.45 1jg9 h TYR 412 Cb 0.29 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 1jg9 h TYR 412 CO -0.34 -0.17 0.11 -0.44 -1.32 0.00 0.00 178.16 176.00 1jg9 h ASP 413 N -0.30 0.73 -0.52 -2.11 3.32 -1.95 -2.20 116.42 113.39 1jg9 h ASP 413 Ca -0.03 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1jg9 h ASP 413 Cb 0.23 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1jg9 h ASP 413 CO 0.05 0.72 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.54 1jg9 h HIS 414 N 0.75 1.01 -0.19 4.55 2.76 -0.60 -2.05 115.15 121.37 1jg9 h HIS 414 Ca 0.17 -0.18 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1jg9 h HIS 414 Cb 0.29 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1jg9 h HIS 414 CO 0.02 0.93 -0.23 0.00 -1.30 0.00 0.00 177.93 177.35 1jg9 h ARG 415 N 0.79 0.35 -0.53 5.26 3.08 -0.87 -0.63 114.38 121.83 1jg9 h ARG 415 Ca 0.15 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1jg9 h ARG 415 Cb 0.54 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1jg9 h ARG 415 CO 0.03 0.56 0.34 1.96 -1.07 0.00 0.00 179.97 181.79 1jg9 h GLN 416 N 0.31 0.70 0.05 0.04 1.08 -1.00 -0.08 115.11 116.22 1jg9 h GLN 416 Ca 0.05 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jg9 h GLN 416 Cb 0.59 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1jg9 h GLN 416 CO 0.04 0.47 -0.03 0.35 -0.95 0.00 0.00 178.83 178.72 1jg9 h PHE 417 N 0.71 -0.06 -0.83 2.96 3.57 -0.78 -1.91 116.94 120.59 1jg9 h PHE 417 Ca 0.19 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.77 1jg9 h PHE 417 Cb -0.06 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.63 1jg9 h PHE 417 CO -0.04 0.13 0.50 -0.07 -2.23 0.00 0.00 178.31 176.60 1jg9 h LEU 418 N -0.25 0.75 -0.33 0.59 3.38 -0.85 0.10 115.31 118.71 1jg9 h LEU 418 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jg9 h LEU 418 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jg9 h LEU 418 CO 0.01 0.46 0.06 0.78 0.09 0.00 0.00 178.44 179.84 1jg9 h ASN 419 N 0.87 0.52 -0.56 -0.43 -0.26 -0.93 -1.56 115.58 113.24 1jg9 h ASN 419 Ca 0.38 -0.26 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 1jg9 h ASN 419 Cb 0.26 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.36 1jg9 h ASN 419 CO -0.21 0.64 0.26 0.03 -1.06 0.00 0.00 177.43 177.09 1jg9 h ARG 420 N 0.37 0.81 -0.04 0.81 3.08 -0.75 -2.84 114.38 115.82 1jg9 h ARG 420 Ca 0.10 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jg9 h ARG 420 Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jg9 h ARG 420 CO 0.01 0.68 0.03 0.35 -1.07 0.00 0.00 179.97 179.96 1jg9 h PHE 421 N 0.76 0.06 0.00 3.04 3.04 -0.66 0.14 116.94 123.31 1jg9 h PHE 421 Ca 0.19 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.14 1jg9 h PHE 421 Cb 0.14 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1jg9 h PHE 421 CO -0.00 0.06 0.00 1.19 -2.02 0.00 0.00 178.31 177.54 1jg9 n PHE 422 N -5.05 0.00 -0.74 0.41 3.72 -0.60 -2.40 117.46 112.80 1jg9 n PHE 422 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 1jg9 n PHE 422 Cb 0.04 -0.50 0.25 0.00 -0.94 0.00 0.00 39.48 38.34 1jg9 n PHE 422 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1jg9 n VAL 423 N -1.50 1.95 -3.45 -4.37 0.24 -1.08 -0.52 118.33 109.60 1jg9 n VAL 423 Ca 0.05 -1.55 -0.19 0.00 -2.04 0.00 0.00 64.34 60.61 1jg9 n VAL 423 Cb 0.26 -0.02 0.08 0.00 -1.47 0.00 0.00 33.84 32.69 1jg9 n VAL 423 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jg9 n ASN 424 N 0.00 -3.46 -1.72 -1.34 5.15 -1.01 -4.71 115.26 108.17 1jg9 n ASN 424 Ca 0.20 -0.58 -0.08 0.00 -0.60 0.00 0.00 54.58 53.52 1jg9 n ASN 424 Cb 0.80 -4.99 0.08 0.00 -0.53 0.00 0.00 39.78 35.14 1jg9 n ASN 424 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1jg9 n ARG 425 N -4.34 2.32 -3.71 1.20 5.12 0.46 -4.98 116.66 112.73 1jg9 n ARG 425 Ca -0.19 -3.57 -0.15 0.00 -1.93 0.00 0.00 57.85 52.02 1jg9 n ARG 425 Cb 0.63 -1.72 -0.15 0.00 -1.16 0.00 0.00 32.46 30.06 1jg9 n ARG 425 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1jg9 s PHE 426 N -3.13 -0.20 -0.20 -1.55 5.36 -1.23 -4.70 117.98 112.33 1jg9 s PHE 426 Ca 0.41 0.58 -0.40 0.00 -0.96 0.00 0.00 56.93 56.56 1jg9 s PHE 426 Cb 0.38 -0.13 -0.17 0.00 -0.34 0.00 0.00 43.02 42.76 1jg9 s PHE 426 CO -0.03 -0.22 1.58 -3.47 -1.46 0.00 0.00 175.22 171.62 1jg9 n ASP 427 N 4.66 1.86 0.00 6.13 -0.08 -1.26 -1.58 116.55 126.27 1jg9 n ASP 427 Ca -0.18 1.11 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1jg9 n ASP 427 Cb 0.51 -1.10 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1jg9 n ASP 427 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jg9 n GLY 428 N 3.57 1.08 3.74 0.27 0.00 -1.26 -5.02 105.19 107.57 1jg9 n GLY 428 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1jg9 n GLY 428 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jg9 n SER 429 N 0.00 2.81 -0.24 1.61 2.88 -0.62 -4.91 113.62 115.15 1jg9 n SER 429 Ca 0.00 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.69 1jg9 n SER 429 Cb 0.00 -1.57 0.04 0.00 -0.75 0.00 0.00 64.21 61.93 1jg9 n SER 429 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1jg9 n PHE 430 N -0.63 0.00 -2.86 0.66 1.16 -1.26 -4.97 117.46 109.55 1jg9 n PHE 430 Ca 0.08 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.30 1jg9 n PHE 430 Cb 0.43 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.19 1jg9 n PHE 430 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jg9 s ALA 431 N -2.72 3.22 -0.43 1.98 0.00 -1.25 -2.88 121.76 119.69 1jg9 s ALA 431 Ca 0.15 0.41 0.10 0.00 0.00 0.00 0.00 51.96 52.62 1jg9 s ALA 431 Cb 0.17 -3.09 0.37 0.00 0.00 0.00 0.00 23.12 20.57 1jg9 s ALA 431 CO 0.68 0.20 0.86 0.54 0.00 0.00 0.00 175.76 178.04 1jg9 n ARG 432 N 0.35 1.90 -1.89 0.00 5.12 -0.66 -3.75 116.66 117.73 1jg9 n ARG 432 Ca 0.02 -3.91 -0.11 0.00 -1.93 0.00 0.00 57.85 51.91 1jg9 n ARG 432 Cb 0.51 -1.86 0.05 0.00 -1.16 0.00 0.00 32.46 30.00 1jg9 n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jg9 n GLY 433 N 0.01 1.40 3.03 -0.13 0.00 0.32 -4.69 105.19 105.12 1jg9 n GLY 433 Ca 0.26 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 44.03 1jg9 n GLY 433 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jg9 s VAL 434 N -1.21 0.54 0.71 1.61 1.01 -0.34 -4.43 120.40 118.29 1jg9 s VAL 434 Ca 0.34 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1jg9 s VAL 434 Cb -0.02 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1jg9 s VAL 434 CO 0.22 -0.14 1.19 -2.84 0.00 0.00 0.00 175.10 173.53 1jg9 s PRO 435 N -0.93 2.29 -0.07 2.72 0.02 -1.26 -0.46 135.00 137.32 1jg9 s PRO 435 Ca -0.04 1.68 -0.03 0.00 0.02 0.00 0.00 61.00 62.63 1jg9 s PRO 435 Cb -0.06 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.64 1jg9 s PRO 435 CO 0.00 -1.70 0.10 0.12 -0.33 0.00 0.00 177.00 175.20 1jg9 s PHE 436 N -2.05 -0.03 -1.24 6.54 5.36 0.12 -4.68 117.98 122.00 1jg9 s PHE 436 Ca 0.73 0.36 -0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1jg9 s PHE 436 Cb -0.27 -0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.00 1jg9 s PHE 436 CO 0.44 -0.25 0.94 1.04 -1.46 0.00 0.00 175.22 175.93 1jg9 n GLN 437 N 5.31 -6.30 -1.94 10.12 1.13 -1.26 -1.46 117.38 122.98 1jg9 n GLN 437 Ca -0.04 0.79 -0.42 0.00 -1.94 0.00 0.00 57.00 55.39 1jg9 n GLN 437 Cb 0.50 -5.71 -0.03 0.00 0.11 0.00 0.00 30.24 25.11 1jg9 n GLN 437 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1jg9 s TYR 438 N -3.43 2.83 -0.44 1.08 5.04 -1.26 -4.45 117.35 116.72 1jg9 s TYR 438 Ca 0.04 0.52 -0.05 0.00 -2.44 0.00 0.00 57.07 55.14 1jg9 s TYR 438 Cb -0.02 -3.93 0.12 0.00 0.35 0.00 0.00 41.96 38.47 1jg9 s TYR 438 CO 0.75 -3.56 0.27 1.21 -1.34 0.00 0.00 175.55 172.88 1jg9 s ASN 439 N 1.62 5.44 0.62 4.32 3.84 0.45 -4.88 114.94 126.34 1jg9 s ASN 439 Ca 0.71 -2.01 0.38 0.00 0.21 0.00 0.00 52.86 52.15 1jg9 s ASN 439 Cb -0.42 -1.90 2.06 0.00 -0.55 0.00 0.00 41.25 40.44 1jg9 s ASN 439 CO 0.32 -0.60 2.16 1.55 -2.79 0.00 0.00 177.10 177.73 1jg9 h PRO 440 N 8.18 0.00 0.00 0.43 0.13 -1.92 1.07 132.00 139.88 1jg9 h PRO 440 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.91 1jg9 h PRO 440 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1jg9 h PRO 440 CO 0.76 0.00 -0.46 0.77 -0.23 0.00 0.00 178.00 178.84 1jg9 h SER 441 N 0.00 0.00 0.00 1.44 0.02 -1.96 -3.36 113.55 109.68 1jg9 h SER 441 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jg9 h SER 441 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1jg9 h SER 441 CO 0.00 0.29 -0.45 0.35 -1.14 0.00 0.00 176.83 175.88 1jg9 n THR 442 N -3.10 0.00 -0.96 -2.27 -2.24 -0.54 -5.01 114.28 100.16 1jg9 n THR 442 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1jg9 n THR 442 Cb 0.66 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1jg9 n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jg9 n GLY 443 N 1.61 0.89 3.80 3.38 0.00 0.36 -5.00 105.19 110.22 1jg9 n GLY 443 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1jg9 n GLY 443 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg9 s ASP 444 N -2.87 6.27 -0.04 1.61 -1.08 -1.23 -4.79 116.67 114.55 1jg9 s ASP 444 Ca 0.00 1.90 -0.30 0.00 -0.52 0.00 0.00 52.55 53.64 1jg9 s ASP 444 Cb 0.00 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 1jg9 s ASP 444 CO 0.00 -0.83 0.72 0.00 0.52 0.00 0.00 175.17 175.58 1jg9 s ARG 446 N -1.54 1.95 -0.05 0.00 3.00 -0.54 -4.76 118.95 117.02 1jg9 s ARG 446 Ca -0.08 -2.13 0.06 0.00 0.00 0.00 0.00 55.73 53.58 1jg9 s ARG 446 Cb -0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 34.95 33.45 1jg9 s ARG 446 CO 0.06 -0.13 -0.24 0.08 0.00 0.00 0.00 175.30 175.07 1jg9 s VAL 447 N -2.83 1.95 0.19 3.52 1.01 -0.63 -0.70 120.40 122.90 1jg9 s VAL 447 Ca 0.30 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1jg9 s VAL 447 Cb 0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1jg9 s VAL 447 CO 0.15 0.54 0.01 -0.44 0.00 0.00 0.00 175.10 175.36 1jg9 s SER 448 N -0.16 4.76 0.00 3.32 0.01 0.39 -0.15 113.70 121.87 1jg9 s SER 448 Ca -0.03 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1jg9 s SER 448 Cb -0.13 -1.00 0.00 0.00 0.21 0.00 0.00 66.02 65.09 1jg9 s SER 448 CO 0.03 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1jg9 n GLY 449 N -0.26 4.79 3.81 3.44 0.00 -1.26 -1.20 105.19 114.52 1jg9 n GLY 449 Ca -0.09 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1jg9 n GLY 449 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jg9 s THR 450 N -1.71 3.24 0.21 2.61 -4.23 -1.26 -4.80 115.64 109.70 1jg9 s THR 450 Ca 0.00 0.40 -0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1jg9 s THR 450 Cb 0.00 -3.15 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1jg9 s THR 450 CO 0.00 -0.53 1.80 0.00 -0.54 0.00 0.00 174.62 175.35 1jg9 h ALA 451 N -1.02 0.91 -0.77 3.99 0.00 -1.95 -1.11 119.26 119.31 1jg9 h ALA 451 Ca -0.46 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1jg9 h ALA 451 Cb 1.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1jg9 h ALA 451 CO 0.59 0.03 0.36 0.00 0.00 0.00 0.00 179.25 180.23 1jg9 h ALA 452 N 1.36 1.18 -0.43 0.00 0.00 -1.89 -2.29 119.26 117.20 1jg9 h ALA 452 Ca 0.31 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1jg9 h ALA 452 Cb 0.22 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1jg9 h ALA 452 CO -0.20 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.52 1jg9 h ALA 453 N 1.29 0.94 0.00 0.00 0.00 -1.61 -0.64 119.26 119.24 1jg9 h ALA 453 Ca 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jg9 h ALA 453 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jg9 h ALA 453 CO -0.03 0.62 -0.04 -0.07 0.00 0.00 0.00 179.25 179.73 1jg9 h LEU 454 N 0.71 0.00 -0.85 0.00 3.38 -0.76 -1.73 115.31 116.06 1jg9 h LEU 454 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jg9 h LEU 454 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1jg9 h LEU 454 CO 0.04 0.04 -0.42 1.33 0.09 0.00 0.00 178.44 179.52 1jg9 n VAL 455 N -3.12 0.00 -0.00 1.22 0.24 -0.90 -3.89 118.33 111.88 1jg9 n VAL 455 Ca 0.02 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1jg9 n VAL 455 Cb 0.44 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1jg9 n VAL 455 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jg9 n GLY 456 N 1.40 1.00 0.22 7.63 0.00 -1.11 -4.21 105.19 110.12 1jg9 n GLY 456 Ca 0.10 -0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1jg9 n GLY 456 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jg9 h LEU 457 N 0.00 0.00 -1.36 0.99 5.85 -1.35 -1.05 115.31 118.39 1jg9 h LEU 457 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1jg9 h LEU 457 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1jg9 h LEU 457 CO 0.00 0.25 0.45 0.00 -0.34 0.00 0.00 178.44 178.80 1jg9 h ALA 458 N 1.75 1.57 -0.61 1.25 0.00 -1.85 -1.60 119.26 119.78 1jg9 h ALA 458 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jg9 h ALA 458 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jg9 h ALA 458 CO 0.03 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1jg9 n GLN 459 N -4.45 3.02 -3.32 0.00 0.00 -1.14 -4.97 117.38 106.52 1jg9 n GLN 459 Ca 0.08 -2.59 -0.18 0.00 0.00 0.00 0.00 57.00 54.31 1jg9 n GLN 459 Cb 0.09 -1.59 0.06 0.00 0.00 0.00 0.00 30.24 28.81 1jg9 n GLN 459 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1jg9 n ASP 460 N 1.17 -4.94 -4.69 2.61 8.00 -0.60 -4.94 116.55 113.16 1jg9 n ASP 460 Ca 0.22 -0.43 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1jg9 n ASP 460 Cb 0.65 -4.04 -0.03 0.00 -0.02 0.00 0.00 41.12 37.68 1jg9 n ASP 460 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jg9 s ASP 461 N -3.37 6.50 0.59 -2.24 -1.08 -0.41 -4.84 116.67 111.82 1jg9 s ASP 461 Ca 0.39 2.65 0.32 0.00 -0.52 0.00 0.00 52.55 55.40 1jg9 s ASP 461 Cb -0.17 -2.57 1.74 0.00 -1.46 0.00 0.00 42.92 40.46 1jg9 s ASP 461 CO 0.57 -0.95 1.97 1.55 0.52 0.00 0.00 175.17 178.83 1jg9 h PRO 462 N 8.32 0.00 -0.01 4.34 0.13 -1.92 -0.85 132.00 142.01 1jg9 h PRO 462 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jg9 h PRO 462 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jg9 h PRO 462 CO 0.94 0.00 -0.45 0.72 -0.23 0.00 0.00 178.00 178.98 1jg9 n HIS 463 N -2.79 0.00 0.10 1.56 8.25 -1.26 -4.58 115.22 116.49 1jg9 n HIS 463 Ca -0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1jg9 n HIS 463 Cb 0.24 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 1jg9 n HIS 463 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jg9 h ALA 464 N 3.80 -0.40 -0.69 -1.41 0.00 -1.32 -1.18 119.26 118.07 1jg9 h ALA 464 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jg9 h ALA 464 Cb 0.69 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1jg9 h ALA 464 CO 0.00 -0.78 0.35 0.28 0.00 0.00 0.00 179.25 179.10 1jg9 h VAL 465 N -0.44 0.87 -0.15 0.00 2.07 -1.81 -1.74 116.25 115.06 1jg9 h VAL 465 Ca 0.04 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1jg9 h VAL 465 Cb 0.48 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1jg9 h VAL 465 CO -0.17 0.11 -0.28 0.44 0.02 0.00 0.00 177.57 177.69 1jg9 h ASP 466 N 0.60 0.27 -0.52 0.57 3.32 -1.77 -2.12 116.42 116.78 1jg9 h ASP 466 Ca 0.33 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1jg9 h ASP 466 Cb 0.33 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1jg9 h ASP 466 CO -0.25 0.55 0.04 0.03 -1.72 0.00 0.00 179.24 177.89 1jg9 h ARG 467 N 0.24 0.89 -0.50 3.56 3.08 -0.39 -1.19 114.38 120.08 1jg9 h ARG 467 Ca 0.04 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1jg9 h ARG 467 Cb 0.63 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1jg9 h ARG 467 CO 0.05 0.90 0.28 0.82 -1.07 0.00 0.00 179.97 180.94 1jg9 h ILE 468 N 0.76 1.17 -0.80 2.04 2.04 -1.11 -1.45 117.51 120.17 1jg9 h ILE 468 Ca 0.15 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1jg9 h ILE 468 Cb 0.47 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1jg9 h ILE 468 CO 0.02 0.18 0.47 0.50 0.00 0.00 0.00 178.15 179.32 1jg9 h LYS 469 N 0.67 1.09 -0.06 2.37 3.64 -1.14 -2.14 116.57 120.99 1jg9 h LYS 469 Ca 0.18 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1jg9 h LYS 469 Cb 0.04 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1jg9 h LYS 469 CO -0.03 0.77 0.02 1.25 -2.27 0.00 0.00 179.45 179.19 1jg9 h LEU 470 N 1.09 0.09 0.04 5.20 5.85 -0.87 -1.09 115.31 125.62 1jg9 h LEU 470 Ca 0.29 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1jg9 h LEU 470 Cb -0.03 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1jg9 h LEU 470 CO -0.05 0.28 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.18 1jg9 h LEU 471 N -0.10 -0.19 -1.63 2.25 3.38 -1.15 -2.43 115.31 115.43 1jg9 h LEU 471 Ca 0.02 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1jg9 h LEU 471 Cb 0.22 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1jg9 h LEU 471 CO -0.00 -0.11 -0.19 1.88 0.09 0.00 0.00 178.44 180.11 1jg9 h TYR 472 N -0.15 0.00 -0.56 1.13 0.05 -1.39 -2.45 116.97 113.61 1jg9 h TYR 472 Ca 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1jg9 h TYR 472 Cb 0.16 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 1jg9 h TYR 472 CO -0.12 0.19 0.20 0.66 -1.05 0.00 0.00 178.16 178.04 1jg9 h SER 473 N 0.00 0.75 -0.26 3.88 4.64 -0.71 -1.04 113.55 120.81 1jg9 h SER 473 Ca -0.00 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.02 1jg9 h SER 473 Cb 0.33 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1jg9 h SER 473 CO 0.02 0.69 -0.58 0.40 -0.87 0.00 0.00 176.83 176.49 1jg9 h ILE 474 N 0.80 1.28 -0.04 0.95 2.04 -1.19 -1.87 117.51 119.48 1jg9 h ILE 474 Ca 0.19 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.20 1jg9 h ILE 474 Cb 0.19 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1jg9 h ILE 474 CO -0.01 0.57 -0.35 0.00 0.00 0.00 0.00 178.15 178.36 1jg9 h ALA 475 N 0.65 1.34 0.00 1.87 0.00 -1.30 -2.13 119.26 119.70 1jg9 h ALA 475 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jg9 h ALA 475 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jg9 h ALA 475 CO 0.13 0.48 -0.19 -0.07 0.00 0.00 0.00 179.25 179.59 1jg9 h LEU 476 N 0.07 0.00 -0.10 0.00 3.38 -1.05 -3.40 115.31 114.21 1jg9 h LEU 476 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jg9 h LEU 476 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jg9 h LEU 476 CO 0.05 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.06 1jg9 n SER 477 N -2.48 0.10 0.21 -0.43 3.41 -0.72 -4.75 113.62 108.97 1jg9 n SER 477 Ca 0.04 -0.51 0.09 0.00 -0.26 0.00 0.00 58.87 58.23 1jg9 n SER 477 Cb 0.47 0.80 0.39 0.00 -0.26 0.00 0.00 64.21 65.61 1jg9 n SER 477 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1jg9 h THR 478 N 0.01 0.60 0.00 6.66 1.35 -1.59 -3.48 112.91 116.46 1jg9 h THR 478 Ca 0.00 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1jg9 h THR 478 Cb 0.01 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1jg9 h THR 478 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1jg9 n GLY 479 N 0.30 2.29 0.00 5.82 0.00 -1.26 -4.57 105.19 107.77 1jg9 n GLY 479 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1jg9 n GLY 479 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jg9 n GLY 480 N 0.87 2.03 3.58 -0.02 0.00 -1.25 -4.64 105.19 105.77 1jg9 n GLY 480 Ca 0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 1jg9 n GLY 480 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jg9 s LEU 481 N 0.00 4.07 0.24 0.99 0.20 0.96 -4.83 118.68 120.33 1jg9 s LEU 481 Ca 0.00 0.34 -0.30 0.00 0.69 0.00 0.00 54.13 54.86 1jg9 s LEU 481 Cb 0.00 -3.13 -0.09 0.00 -0.43 0.00 0.00 46.19 42.54 1jg9 s LEU 481 CO 0.00 -0.85 0.98 -2.16 -0.29 0.00 0.00 176.35 174.03 1jg9 s PRO 482 N 3.36 4.79 -0.16 0.98 0.04 -1.26 -0.92 135.00 141.84 1jg9 s PRO 482 Ca 0.34 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.97 1jg9 s PRO 482 Cb -0.12 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1jg9 s PRO 482 CO 0.20 0.42 -0.18 -1.17 0.04 0.00 0.00 177.00 176.32 1jg9 s LEU 483 N -1.19 1.93 -0.14 -3.56 2.96 0.05 -0.44 118.68 118.28 1jg9 s LEU 483 Ca 0.42 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.59 1jg9 s LEU 483 Cb -0.27 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1jg9 s LEU 483 CO 0.34 -0.02 0.42 -0.63 -1.32 0.00 0.00 176.35 175.15 1jg9 s ILE 484 N 1.32 5.22 -0.56 6.68 1.01 0.80 -4.39 121.20 131.28 1jg9 s ILE 484 Ca 0.04 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.23 1jg9 s ILE 484 Cb -0.13 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.61 1jg9 s ILE 484 CO -0.11 0.34 1.10 -0.47 0.00 0.00 0.00 174.94 175.80 1jg9 s TYR 485 N 0.65 2.69 0.10 3.97 5.04 -1.26 -1.49 117.35 127.05 1jg9 s TYR 485 Ca 0.23 0.32 -0.34 0.00 -2.44 0.00 0.00 57.07 54.84 1jg9 s TYR 485 Cb -0.14 -4.36 -0.13 0.00 0.35 0.00 0.00 41.96 37.67 1jg9 s TYR 485 CO 0.08 -1.47 1.65 1.28 -1.34 0.00 0.00 175.55 175.75 1jg9 n LEU 486 N 8.06 3.17 0.00 6.97 4.77 -0.79 -1.20 117.00 137.97 1jg9 n LEU 486 Ca 0.07 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 1jg9 n LEU 486 Cb 0.49 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1jg9 n LEU 486 CO 0.69 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1jg9 n GLY 487 N 3.65 0.54 0.20 -0.72 0.00 -1.26 -4.93 105.19 102.66 1jg9 n GLY 487 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 1jg9 n GLY 487 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jg9 h ASP 488 N 1.93 0.09 0.33 1.61 5.19 -1.50 -1.90 116.42 122.16 1jg9 h ASP 488 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1jg9 h ASP 488 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1jg9 h ASP 488 CO 0.00 0.43 0.00 -1.84 -3.12 0.00 0.00 179.24 174.71 1jg9 n GLU 489 N -4.11 0.09 -0.11 3.56 0.00 -1.26 -1.98 120.64 116.82 1jg9 n GLU 489 Ca -0.02 0.23 0.03 0.00 0.00 0.00 0.00 57.16 57.41 1jg9 n GLU 489 Cb 0.40 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.38 1jg9 n GLU 489 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1jg9 n VAL 490 N -1.40 0.94 -3.17 3.84 0.24 -1.15 -1.63 118.33 115.99 1jg9 n VAL 490 Ca 0.04 -1.06 -0.15 0.00 -2.04 0.00 0.00 64.34 61.13 1jg9 n VAL 490 Cb 0.12 0.35 0.06 0.00 -1.47 0.00 0.00 33.84 32.89 1jg9 n VAL 490 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jg9 n GLY 491 N -0.63 -0.06 3.73 7.63 0.00 -0.84 -4.24 105.19 110.78 1jg9 n GLY 491 Ca 0.05 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1jg9 n GLY 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jg9 s THR 492 N -3.22 2.55 0.72 2.61 2.01 -0.73 -4.86 115.64 114.72 1jg9 s THR 492 Ca 0.30 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.71 1jg9 s THR 492 Cb -0.13 -3.27 0.12 0.00 0.01 0.00 0.00 72.50 69.23 1jg9 s THR 492 CO 0.49 0.05 0.99 -0.76 -0.69 0.00 0.00 174.62 174.70 1jg9 s LEU 493 N 0.36 2.98 0.80 4.42 1.43 -1.26 -4.31 118.68 123.10 1jg9 s LEU 493 Ca 0.65 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 1jg9 s LEU 493 Cb -0.44 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 43.79 1jg9 s LEU 493 CO 0.38 -1.83 1.20 0.20 0.23 0.00 0.00 176.35 176.52 1jg9 s ASN 494 N -4.71 3.65 0.06 2.29 0.01 -1.26 -4.74 114.94 110.24 1jg9 s ASN 494 Ca 0.66 2.33 -0.29 0.00 -0.71 0.00 0.00 52.86 54.85 1jg9 s ASN 494 Cb -0.06 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1jg9 s ASN 494 CO 0.44 -2.62 0.91 -0.62 -1.51 0.00 0.00 177.10 173.70 1jg9 s ASP 495 N -2.22 7.39 -0.31 -1.22 -1.08 0.25 -4.96 116.67 114.52 1jg9 s ASP 495 Ca 0.72 1.66 0.08 0.00 -0.52 0.00 0.00 52.55 54.50 1jg9 s ASP 495 Cb -0.28 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.16 1jg9 s ASP 495 CO 0.50 -0.10 1.53 -0.67 0.52 0.00 0.00 175.17 176.95 1jg9 n ASP 496 N 3.11 2.66 -0.01 -0.34 2.03 -1.26 -4.41 116.55 118.33 1jg9 n ASP 496 Ca 0.02 -3.75 -0.01 0.00 0.52 0.00 0.00 54.79 51.58 1jg9 n ASP 496 Cb 0.50 -0.66 -0.02 0.00 -0.72 0.00 0.00 41.12 40.22 1jg9 n ASP 496 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1jg9 n ASP 497 N -1.11 4.43 -0.30 1.67 10.43 -1.26 -4.77 116.55 125.64 1jg9 n ASP 497 Ca 0.37 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.84 1jg9 n ASP 497 Cb 1.12 0.69 0.28 0.00 1.84 0.00 0.00 41.12 45.06 1jg9 n ASP 497 CO 0.00 0.00 0.00 4.11 -1.07 0.00 0.00 177.20 180.24 1jg9 h TRP 498 N 0.00 0.68 -0.28 1.24 5.08 -1.90 -2.06 115.95 118.71 1jg9 h TRP 498 Ca -0.05 0.04 0.06 0.00 1.08 0.00 0.00 58.89 60.02 1jg9 h TRP 498 Cb 0.89 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.87 1jg9 h TRP 498 CO 0.00 0.02 0.20 0.66 -1.28 0.00 0.00 178.44 178.03 1jg9 h SER 499 N 0.46 0.11 -0.02 0.11 4.64 -1.88 -2.04 113.55 114.92 1jg9 h SER 499 Ca 0.53 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1jg9 h SER 499 Cb 0.94 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jg9 h SER 499 CO -0.48 0.07 -0.11 0.00 -0.87 0.00 0.00 176.83 175.43 1jg9 n GLN 500 N -4.48 2.02 -2.84 4.77 6.02 -0.79 -4.55 117.38 117.53 1jg9 n GLN 500 Ca 0.03 -1.65 -0.43 0.00 -0.01 0.00 0.00 57.00 54.94 1jg9 n GLN 500 Cb 0.27 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 1jg9 n GLN 500 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jg9 s ASP 501 N -2.12 6.60 0.61 1.08 -1.08 -0.77 -4.92 116.67 116.07 1jg9 s ASP 501 Ca 0.26 0.40 0.31 0.00 -0.52 0.00 0.00 52.55 53.01 1jg9 s ASP 501 Cb 0.20 -2.45 1.78 0.00 -1.46 0.00 0.00 42.92 40.99 1jg9 s ASP 501 CO 0.37 -0.89 2.14 0.77 0.52 0.00 0.00 175.17 178.08 1jg9 h SER 502 N 8.65 0.00 0.48 -0.34 4.64 -1.88 0.70 113.55 125.80 1jg9 h SER 502 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1jg9 h SER 502 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1jg9 h SER 502 CO 0.98 0.00 -0.24 0.59 -0.87 0.00 0.00 176.83 177.29 1jg9 n ASN 503 N -3.63 0.51 0.00 4.97 5.03 -1.26 -4.14 115.26 116.74 1jg9 n ASN 503 Ca 0.00 -0.36 0.00 0.00 0.87 0.00 0.00 54.58 55.09 1jg9 n ASN 503 Cb 0.26 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1jg9 n ASN 503 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jg9 n LYS 504 N -1.15 3.16 0.10 3.52 5.02 0.15 -4.74 118.16 124.23 1jg9 n LYS 504 Ca 0.10 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1jg9 n LYS 504 Cb 0.32 -0.60 0.72 0.00 -0.02 0.00 0.00 35.03 35.46 1jg9 n LYS 504 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jg9 h SER 505 N 0.00 0.00 -0.62 4.39 4.64 0.31 -1.00 113.55 121.26 1jg9 h SER 505 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jg9 h SER 505 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jg9 h SER 505 CO 0.00 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 1jg9 n ASP 506 N -3.55 4.72 -3.47 4.97 5.75 -1.26 -4.71 116.55 119.00 1jg9 n ASP 506 Ca 0.07 -2.48 -0.29 0.00 -0.01 0.00 0.00 54.79 52.08 1jg9 n ASP 506 Cb 0.66 -0.57 -0.12 0.00 -1.03 0.00 0.00 41.12 40.06 1jg9 n ASP 506 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1jg9 s ASP 507 N -0.96 3.00 0.00 -1.12 -1.08 -0.38 -5.00 116.67 111.13 1jg9 s ASP 507 Ca 0.50 -2.07 0.03 0.00 -0.52 0.00 0.00 52.55 50.49 1jg9 s ASP 507 Cb 0.33 -0.37 0.14 0.00 -1.46 0.00 0.00 42.92 41.55 1jg9 s ASP 507 CO 0.23 -0.32 1.00 -1.54 0.52 0.00 0.00 175.17 175.06 1jg9 n SER 508 N 4.19 0.00 0.28 -0.34 3.41 -1.26 -2.22 113.62 117.68 1jg9 n SER 508 Ca 0.10 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.22 1jg9 n SER 508 Cb 0.38 -0.39 0.85 0.00 -0.26 0.00 0.00 64.21 64.78 1jg9 n SER 508 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1jg9 h ARG 509 N 0.00 0.00 0.00 4.33 3.08 -1.92 -0.11 114.38 119.76 1jg9 h ARG 509 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jg9 h ARG 509 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1jg9 h ARG 509 CO 0.00 0.05 0.00 -1.49 -1.07 0.00 0.00 179.97 177.46 1jg9 h TRP 510 N 0.00 0.00 -0.53 3.04 4.06 -1.78 -1.71 115.95 119.03 1jg9 h TRP 510 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 1jg9 h TRP 510 Cb 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.27 1jg9 h TRP 510 CO 0.00 0.00 0.35 0.00 -3.56 0.00 0.00 178.44 175.23 1jg9 h ALA 511 N 2.03 1.83 -0.60 1.49 0.00 -1.26 -2.28 119.26 120.48 1jg9 h ALA 511 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1jg9 h ALA 511 Cb 0.20 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1jg9 h ALA 511 CO 0.00 0.09 0.20 -2.39 0.00 0.00 0.00 179.25 177.15 1jg9 n HIS 512 N -4.47 1.86 -2.82 0.00 1.44 -0.64 -0.58 115.22 110.01 1jg9 n HIS 512 Ca 0.07 -1.60 -0.24 0.00 -2.01 0.00 0.00 57.72 53.94 1jg9 n HIS 512 Cb 0.21 -0.65 -0.02 0.00 0.12 0.00 0.00 29.99 29.65 1jg9 n HIS 512 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1jg9 n ARG 513 N -1.00 2.77 -1.38 -1.40 1.74 -0.86 -4.79 116.66 111.75 1jg9 n ARG 513 Ca 0.42 -4.39 -0.30 0.00 -0.77 0.00 0.00 57.85 52.81 1jg9 n ARG 513 Cb 1.27 -2.07 0.12 0.00 -1.02 0.00 0.00 32.46 30.76 1jg9 n ARG 513 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1jg9 s PRO 514 N -3.31 1.58 0.68 5.56 0.04 -1.26 -4.94 135.00 133.35 1jg9 s PRO 514 Ca 0.45 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 1jg9 s PRO 514 Cb 0.34 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 33.06 1jg9 s PRO 514 CO -0.13 -1.98 1.01 1.03 0.04 0.00 0.00 177.00 176.97 1jg9 s ARG 515 N -5.05 2.56 0.01 4.56 0.52 -1.26 -4.82 118.95 115.47 1jg9 s ARG 515 Ca 0.62 0.02 -0.34 0.00 -0.52 0.00 0.00 55.73 55.52 1jg9 s ARG 515 Cb -0.16 -2.15 -0.13 0.00 0.52 0.00 0.00 34.95 33.03 1jg9 s ARG 515 CO 0.56 -1.05 1.77 0.98 0.02 0.00 0.00 175.30 177.57 1jg9 n TYR 516 N -2.86 2.31 -3.03 -0.53 9.36 -0.40 -4.90 117.16 117.11 1jg9 n TYR 516 Ca 0.07 0.09 -0.44 0.00 3.32 0.00 0.00 57.90 60.94 1jg9 n TYR 516 Cb 0.59 -2.62 -0.04 0.00 -0.63 0.00 0.00 39.34 36.64 1jg9 n TYR 516 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1jg9 s ASN 517 N 2.86 6.27 0.25 2.98 3.04 -1.26 -4.91 114.94 124.17 1jg9 s ASN 517 Ca 0.87 -1.46 -0.03 0.00 0.04 0.00 0.00 52.86 52.28 1jg9 s ASN 517 Cb -0.68 -2.34 0.47 0.00 -1.54 0.00 0.00 41.25 37.16 1jg9 s ASN 517 CO 0.46 -1.17 1.75 -0.33 -3.04 0.00 0.00 177.10 174.77 1jg9 h GLU 518 N 9.17 0.51 -0.68 0.43 4.39 -1.99 -1.98 114.58 124.43 1jg9 h GLU 518 Ca -0.21 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.46 1jg9 h GLU 518 Cb 1.07 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 1jg9 h GLU 518 CO 1.11 0.34 0.42 0.00 -1.16 0.00 0.00 179.01 179.72 1jg9 h ALA 519 N 1.54 0.86 -0.18 3.43 0.00 -1.99 -2.07 119.26 120.84 1jg9 h ALA 519 Ca 0.42 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 1jg9 h ALA 519 Cb 0.61 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jg9 h ALA 519 CO -0.37 0.32 -0.69 -0.07 0.00 0.00 0.00 179.25 178.43 1jg9 h LEU 520 N 0.92 0.93 -1.58 0.00 3.38 -1.82 -3.15 115.31 113.97 1jg9 h LEU 520 Ca 0.24 -0.61 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1jg9 h LEU 520 Cb -0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1jg9 h LEU 520 CO -0.05 1.38 -0.22 1.88 0.09 0.00 0.00 178.44 181.52 1jg9 h TYR 521 N 0.53 0.00 0.00 1.13 0.05 -1.29 -1.07 116.97 116.32 1jg9 h TYR 521 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 1jg9 h TYR 521 Cb 1.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.06 1jg9 h TYR 521 CO 0.09 0.22 0.00 0.00 -1.05 0.00 0.00 178.16 177.42 1jg9 n ALA 522 N -2.46 2.09 0.24 3.88 0.00 -0.79 -2.79 120.51 120.67 1jg9 n ALA 522 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.42 1jg9 n ALA 522 Cb 0.29 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.51 1jg9 n ALA 522 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jg9 n GLN 523 N -1.48 2.12 0.11 0.00 6.02 -0.42 -4.63 117.38 119.11 1jg9 n GLN 523 Ca 0.06 -1.96 0.09 0.00 -0.01 0.00 0.00 57.00 55.18 1jg9 n GLN 523 Cb 0.27 -1.38 0.44 0.00 1.02 0.00 0.00 30.24 30.58 1jg9 n GLN 523 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1jg9 n ARG 524 N 1.06 0.13 -0.09 -1.09 1.85 -1.12 -1.90 116.66 115.49 1jg9 n ARG 524 Ca 0.14 0.49 0.08 0.00 -1.00 0.00 0.00 57.85 57.56 1jg9 n ARG 524 Cb 0.49 -1.81 0.12 0.00 -1.05 0.00 0.00 32.46 30.21 1jg9 n ARG 524 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1jg9 n ASN 525 N -2.06 2.65 -4.37 2.89 3.02 -1.26 -4.36 115.26 111.77 1jg9 n ASN 525 Ca 0.01 -1.77 -0.45 0.00 -0.03 0.00 0.00 54.58 52.34 1jg9 n ASN 525 Cb 0.12 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.11 1jg9 n ASN 525 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jg9 s ASP 526 N -1.18 6.17 0.03 6.41 -1.08 -0.80 -4.95 116.67 121.27 1jg9 s ASP 526 Ca 0.23 -1.43 0.03 0.00 -0.52 0.00 0.00 52.55 50.86 1jg9 s ASP 526 Cb 0.14 -2.21 0.13 0.00 -1.46 0.00 0.00 42.92 39.52 1jg9 s ASP 526 CO 0.20 -0.76 1.08 -0.81 0.52 0.00 0.00 175.17 175.40 1jg9 n PRO 527 N 5.38 0.01 0.00 4.34 -0.04 -1.26 -1.75 135.00 141.68 1jg9 n PRO 527 Ca -0.12 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1jg9 n PRO 527 Cb 0.43 -1.54 0.38 0.00 -0.04 0.00 0.00 33.50 32.73 1jg9 n PRO 527 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jg9 n SER 528 N -1.56 1.60 -4.66 3.54 7.64 -1.26 -4.56 113.62 114.35 1jg9 n SER 528 Ca 0.00 -1.38 -0.24 0.00 1.01 0.00 0.00 58.87 58.26 1jg9 n SER 528 Cb 0.01 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.22 1jg9 n SER 528 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1jg9 s THR 529 N -2.20 3.62 0.22 0.44 -4.23 -0.71 -5.02 115.64 107.76 1jg9 s THR 529 Ca 0.31 -1.67 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1jg9 s THR 529 Cb 0.20 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 71.31 1jg9 s THR 529 CO 0.41 -0.26 1.77 0.00 -0.54 0.00 0.00 174.62 176.00 1jg9 h ALA 530 N 2.22 1.05 -0.51 3.99 0.00 -1.90 -0.69 119.26 123.42 1jg9 h ALA 530 Ca -0.46 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.25 1jg9 h ALA 530 Cb 1.23 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1jg9 h ALA 530 CO 0.59 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.83 1jg9 h ALA 531 N 1.18 0.65 -0.15 0.00 0.00 -1.84 0.14 119.26 119.23 1jg9 h ALA 531 Ca 0.25 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 1jg9 h ALA 531 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jg9 h ALA 531 CO -0.01 0.07 -0.51 0.78 0.00 0.00 0.00 179.25 179.58 1jg9 h GLY 532 N 0.67 0.45 0.90 0.00 0.00 -1.20 -0.71 103.07 103.17 1jg9 h GLY 532 Ca 0.19 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1jg9 h GLY 532 CO -0.05 0.45 -0.03 1.46 0.00 0.00 0.00 176.54 178.36 1jg9 h GLN 533 N 0.32 0.59 -0.16 4.80 4.20 -0.75 -1.55 115.11 122.57 1jg9 h GLN 533 Ca 0.01 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1jg9 h GLN 533 Cb 1.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1jg9 h GLN 533 CO 0.09 0.74 -0.05 0.82 -0.67 0.00 0.00 178.83 179.76 1jg9 h ILE 534 N 0.38 1.30 0.30 2.54 2.04 -0.92 -2.29 117.51 120.85 1jg9 h ILE 534 Ca 0.09 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1jg9 h ILE 534 Cb 0.50 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1jg9 h ILE 534 CO 0.02 0.30 -0.16 0.22 0.00 0.00 0.00 178.15 178.54 1jg9 h TYR 535 N 0.00 -0.40 -0.31 1.37 3.20 -0.16 -0.37 116.97 120.30 1jg9 h TYR 535 Ca 0.04 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1jg9 h TYR 535 Cb 0.49 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1jg9 h TYR 535 CO 0.06 -0.25 0.03 1.96 -1.64 0.00 0.00 178.16 178.32 1jg9 h GLN 536 N -0.42 0.45 0.03 1.82 1.08 -1.36 0.20 115.11 116.91 1jg9 h GLN 536 Ca -0.04 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1jg9 h GLN 536 Cb 0.33 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1jg9 h GLN 536 CO 0.06 0.46 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.94 1jg9 h ASP 537 N 0.44 -0.04 -0.40 1.46 3.32 -1.09 -0.70 116.42 119.42 1jg9 h ASP 537 Ca 0.10 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 1jg9 h ASP 537 Cb 0.24 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1jg9 h ASP 537 CO 0.00 0.23 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.42 1jg9 h LEU 538 N -0.30 0.92 -1.13 1.55 4.07 -0.86 -2.30 115.31 117.26 1jg9 h LEU 538 Ca -0.00 -0.43 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 1jg9 h LEU 538 Cb 0.28 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1jg9 h LEU 538 CO 0.01 1.15 0.40 -0.09 -1.08 0.00 0.00 178.44 178.83 1jg9 h ARG 539 N 0.70 1.00 -0.25 1.13 9.65 -0.58 0.03 114.38 126.05 1jg9 h ARG 539 Ca 0.08 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1jg9 h ARG 539 Cb 0.84 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1jg9 h ARG 539 CO 0.07 0.73 0.09 1.25 2.80 0.00 0.00 179.97 184.91 1jg9 h HIS 540 N 1.01 0.40 -0.77 2.20 2.76 -0.96 -0.72 115.15 119.06 1jg9 h HIS 540 Ca 0.26 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1jg9 h HIS 540 Cb 0.02 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 1jg9 h HIS 540 CO 0.01 0.43 0.33 0.52 -1.30 0.00 0.00 177.93 177.92 1jg9 h MET 541 N 0.25 1.14 -0.43 5.26 2.86 -0.83 -1.07 114.93 122.11 1jg9 h MET 541 Ca 0.08 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1jg9 h MET 541 Cb 0.21 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1jg9 h MET 541 CO -0.00 0.91 0.22 0.82 1.06 0.00 0.00 176.91 179.92 1jg9 h ILE 542 N 1.12 1.17 -0.42 -1.22 2.04 -0.81 -0.19 117.51 119.20 1jg9 h ILE 542 Ca 0.26 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.69 1jg9 h ILE 542 Cb 0.18 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1jg9 h ILE 542 CO -0.03 0.18 0.22 0.00 0.00 0.00 0.00 178.15 178.53 1jg9 h ALA 543 N 1.07 0.52 -0.12 1.87 0.00 -0.62 -1.57 119.26 120.41 1jg9 h ALA 543 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jg9 h ALA 543 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jg9 h ALA 543 CO -0.02 -0.12 0.05 0.28 0.00 0.00 0.00 179.25 179.44 1jg9 h VAL 544 N 0.45 1.14 -0.48 0.00 2.07 -0.97 -2.27 116.25 116.20 1jg9 h VAL 544 Ca 0.17 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1jg9 h VAL 544 Cb 0.05 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1jg9 h VAL 544 CO -0.10 0.13 0.16 -0.09 0.02 0.00 0.00 177.57 177.68 1jg9 h ARG 545 N 0.04 0.32 0.00 1.57 2.43 -0.77 -0.62 114.38 117.35 1jg9 h ARG 545 Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1jg9 h ARG 545 Cb 0.16 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1jg9 h ARG 545 CO -0.00 0.21 -0.17 1.96 -1.51 0.00 0.00 179.97 180.46 1jg9 h GLN 546 N 0.33 0.00 0.00 0.20 4.20 -1.24 -3.29 115.11 115.30 1jg9 h GLN 546 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1jg9 h GLN 546 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1jg9 h GLN 546 CO -0.25 0.17 -1.71 -1.13 -0.67 0.00 0.00 178.83 175.24 1jg9 n SER 547 N -3.21 0.34 -4.49 1.46 3.41 -0.86 -4.51 113.62 105.76 1jg9 n SER 547 Ca 0.02 -0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 57.96 1jg9 n SER 547 Cb 0.49 1.71 -0.11 0.00 -0.26 0.00 0.00 64.21 66.05 1jg9 n SER 547 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jg9 s ASN 548 N -4.06 5.90 0.36 4.04 3.84 -0.27 -4.97 114.94 119.78 1jg9 s ASN 548 Ca -0.04 -0.50 0.25 0.00 0.21 0.00 0.00 52.86 52.78 1jg9 s ASN 548 Cb 0.14 -2.09 1.31 0.00 -0.55 0.00 0.00 41.25 40.06 1jg9 s ASN 548 CO 0.88 -0.24 1.75 1.55 -2.79 0.00 0.00 177.10 178.25 1jg9 h PRO 549 N 8.45 0.00 0.00 0.43 0.13 -1.89 -2.57 132.00 136.55 1jg9 h PRO 549 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1jg9 h PRO 549 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jg9 h PRO 549 CO 0.63 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.94 1jg9 n ARG 550 N -2.36 0.13 0.00 0.86 1.74 -1.26 -1.93 116.66 113.84 1jg9 n ARG 550 Ca -0.01 0.41 0.11 0.00 -0.77 0.00 0.00 57.85 57.59 1jg9 n ARG 550 Cb 0.05 -1.77 0.07 0.00 -1.02 0.00 0.00 32.46 29.80 1jg9 n ARG 550 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jg9 n PHE 551 N -2.01 0.00 -1.77 -1.55 3.01 -0.97 -4.33 117.46 109.84 1jg9 n PHE 551 Ca 0.02 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.09 1jg9 n PHE 551 Cb 0.17 -0.04 0.04 0.00 -0.01 0.00 0.00 39.48 39.64 1jg9 n PHE 551 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jg9 s ASP 552 N -2.61 5.23 0.00 4.37 2.15 -0.81 -4.60 116.67 120.39 1jg9 s ASP 552 Ca 0.17 2.78 0.00 0.00 0.43 0.00 0.00 52.55 55.93 1jg9 s ASP 552 Cb 0.18 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jg9 s ASP 552 CO 0.62 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 1jg9 n GLY 553 N 0.73 -2.71 0.00 2.66 0.00 -0.64 -4.80 105.19 100.44 1jg9 n GLY 553 Ca 0.10 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1jg9 n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jg9 n GLY 554 N -0.62 -0.02 3.86 -0.02 0.00 -1.26 -3.85 105.19 103.27 1jg9 n GLY 554 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jg9 n GLY 554 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jg9 s ARG 555 N -0.30 3.94 0.10 1.61 1.81 -1.26 -4.59 118.95 120.25 1jg9 s ARG 555 Ca 0.00 0.60 -0.15 0.00 -1.72 0.00 0.00 55.73 54.46 1jg9 s ARG 555 Cb 0.00 -2.43 0.03 0.00 -0.45 0.00 0.00 34.95 32.10 1jg9 s ARG 555 CO 0.00 0.12 0.36 -0.48 -0.68 0.00 0.00 175.30 174.62 1jg9 s LEU 556 N -3.18 0.58 -0.08 2.53 0.05 -1.26 -4.54 118.68 112.78 1jg9 s LEU 556 Ca 0.53 -0.32 0.02 0.00 0.05 0.00 0.00 54.13 54.41 1jg9 s LEU 556 Cb -0.10 1.68 0.02 0.00 -2.05 0.00 0.00 46.19 45.73 1jg9 s LEU 556 CO 0.21 -0.80 -0.12 -0.69 -0.55 0.00 0.00 176.35 174.40 1jg9 s VAL 557 N -3.58 1.19 0.64 1.48 1.01 -0.89 -4.87 120.40 115.38 1jg9 s VAL 557 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.39 1jg9 s VAL 557 Cb 0.02 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1jg9 s VAL 557 CO -0.10 0.37 1.05 0.42 0.00 0.00 0.00 175.10 176.84 1jg9 s THR 558 N 0.89 4.07 -0.09 3.92 -4.23 -1.26 0.15 115.64 119.09 1jg9 s THR 558 Ca -0.10 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.24 1jg9 s THR 558 Cb -0.15 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1jg9 s THR 558 CO 0.01 -0.76 -0.22 0.12 -0.54 0.00 0.00 174.62 173.24 1jg9 s PHE 559 N -2.83 2.32 -0.50 3.99 5.36 -0.06 -4.78 117.98 121.48 1jg9 s PHE 559 Ca 0.60 -0.92 -0.29 0.00 -0.96 0.00 0.00 56.93 55.36 1jg9 s PHE 559 Cb -0.14 -1.57 0.03 0.00 -0.34 0.00 0.00 43.02 41.00 1jg9 s PHE 559 CO 0.47 -0.37 1.15 -0.80 -1.46 0.00 0.00 175.22 174.20 1jg9 s ASN 560 N 0.36 6.59 0.41 6.13 0.01 -1.26 -4.17 114.94 123.01 1jg9 s ASN 560 Ca -0.17 0.38 0.23 0.00 -0.71 0.00 0.00 52.86 52.59 1jg9 s ASN 560 Cb -0.17 -2.55 0.35 0.00 0.41 0.00 0.00 41.25 39.29 1jg9 s ASN 560 CO 0.08 -1.30 1.59 0.71 -1.51 0.00 0.00 177.10 176.66 1jg9 h THR 561 N 6.22 0.00 -0.63 1.60 1.35 -1.92 -3.47 112.91 116.05 1jg9 h THR 561 Ca -0.23 -0.96 -0.27 0.00 -0.55 0.00 0.00 66.41 64.39 1jg9 h THR 561 Cb 1.06 1.93 -0.11 0.00 -1.73 0.00 0.00 68.15 69.31 1jg9 h THR 561 CO 1.14 0.00 -0.25 0.59 -0.25 0.00 0.00 175.52 176.75 1jg9 n ASN 562 N -3.02 -4.84 -3.82 5.36 3.02 -1.26 -4.65 115.26 106.06 1jg9 n ASN 562 Ca 0.04 0.33 -0.27 0.00 -0.03 0.00 0.00 54.58 54.65 1jg9 n ASN 562 Cb 0.52 -3.51 -0.17 0.00 -0.61 0.00 0.00 39.78 36.02 1jg9 n ASN 562 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1jg9 s ASN 563 N -2.75 2.55 0.08 6.41 3.04 -1.26 -5.00 114.94 118.01 1jg9 s ASN 563 Ca 0.00 -0.57 0.05 0.00 0.04 0.00 0.00 52.86 52.39 1jg9 s ASN 563 Cb 0.00 -0.71 0.30 0.00 -1.54 0.00 0.00 41.25 39.30 1jg9 s ASN 563 CO 0.00 -0.22 1.16 2.29 -3.04 0.00 0.00 177.10 177.29 1jg9 n LYS 564 N 4.99 0.04 0.00 0.43 2.85 -1.26 -1.52 118.16 123.69 1jg9 n LYS 564 Ca -0.10 0.53 0.09 0.00 -1.05 0.00 0.00 58.31 57.78 1jg9 n LYS 564 Cb 0.48 -1.62 -0.04 0.00 -0.65 0.00 0.00 35.03 33.19 1jg9 n LYS 564 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1jg9 n HIS 565 N -1.69 0.00 -4.18 5.58 8.25 -1.26 -1.35 115.22 120.57 1jg9 n HIS 565 Ca -0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1jg9 n HIS 565 Cb 0.01 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 30.97 1jg9 n HIS 565 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jg9 s ILE 566 N -2.39 2.75 0.22 1.59 1.01 -0.57 -0.88 121.20 122.93 1jg9 s ILE 566 Ca 0.12 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1jg9 s ILE 566 Cb 0.15 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.34 1jg9 s ILE 566 CO 0.59 0.49 0.63 -0.51 0.00 0.00 0.00 174.94 176.14 1jg9 s ILE 567 N 1.19 4.77 -0.11 2.92 1.10 -0.22 -4.68 121.20 126.17 1jg9 s ILE 567 Ca 0.02 0.88 -0.09 0.00 -0.51 0.00 0.00 60.65 60.95 1jg9 s ILE 567 Cb -0.14 -3.71 0.03 0.00 0.15 0.00 0.00 42.46 38.79 1jg9 s ILE 567 CO -0.05 0.08 0.28 -0.83 -2.11 0.00 0.00 174.94 172.31 1jg9 s GLY 568 N -1.95 -0.21 0.13 1.50 0.00 -1.26 -1.00 107.32 104.54 1jg9 s GLY 568 Ca 0.44 0.86 -0.18 0.00 0.00 0.00 0.00 44.72 45.85 1jg9 s GLY 568 CO 0.20 0.82 0.45 -2.52 0.00 0.00 0.00 173.10 172.04 1jg9 s TYR 569 N 0.38 -0.28 -0.04 1.90 -0.85 -0.74 -0.88 117.35 116.84 1jg9 s TYR 569 Ca -0.02 0.01 0.06 0.00 -0.52 0.00 0.00 57.07 56.60 1jg9 s TYR 569 Cb -0.04 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 1jg9 s TYR 569 CO -0.02 -0.73 -0.22 0.42 -1.52 0.00 0.00 175.55 173.48 1jg9 s ILE 570 N -3.71 1.82 -0.15 -3.49 1.01 0.12 -0.63 121.20 116.17 1jg9 s ILE 570 Ca 0.02 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.70 1jg9 s ILE 570 Cb 0.01 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1jg9 s ILE 570 CO -0.12 0.51 -0.08 -0.13 0.00 0.00 0.00 174.94 175.13 1jg9 s ARG 571 N -0.24 3.56 -0.89 2.79 1.81 0.19 -2.09 118.95 124.07 1jg9 s ARG 571 Ca 0.00 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 1jg9 s ARG 571 Cb -0.12 -2.80 0.00 0.00 -0.45 0.00 0.00 34.95 31.58 1jg9 s ARG 571 CO 0.02 0.23 0.00 0.09 -0.68 0.00 0.00 175.30 174.96 1jg9 n ASN 572 N 3.53 -3.30 -2.96 0.23 3.02 -1.26 -1.04 115.26 113.48 1jg9 n ASN 572 Ca -0.18 0.25 -0.19 0.00 -0.03 0.00 0.00 54.58 54.44 1jg9 n ASN 572 Cb 0.53 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.83 1jg9 n ASN 572 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jg9 n ASN 573 N -1.54 -4.07 0.00 6.41 5.15 -1.26 -4.73 115.26 115.22 1jg9 n ASN 573 Ca -0.12 -0.14 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1jg9 n ASN 573 Cb 0.56 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 1jg9 n ASN 573 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jg9 n ALA 574 N -3.01 0.00 -3.91 5.20 0.00 -0.21 -4.63 120.51 113.95 1jg9 n ALA 574 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.08 1jg9 n ALA 574 Cb 0.58 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.86 1jg9 n ALA 574 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1jg9 s LEU 575 N 0.00 1.55 -0.30 0.00 1.98 -0.71 -0.90 118.68 120.30 1jg9 s LEU 575 Ca 0.00 -0.57 -0.10 0.00 -2.89 0.00 0.00 54.13 50.56 1jg9 s LEU 575 Cb 0.00 -0.93 -0.02 0.00 0.66 0.00 0.00 46.19 45.90 1jg9 s LEU 575 CO 0.00 -0.16 0.16 -0.22 -1.89 0.00 0.00 176.35 174.24 1jg9 s LEU 576 N 1.63 4.07 -0.14 -0.68 2.96 0.49 -0.64 118.68 126.38 1jg9 s LEU 576 Ca 0.02 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1jg9 s LEU 576 Cb -0.14 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1jg9 s LEU 576 CO -0.08 -0.16 0.01 0.00 -1.32 0.00 0.00 176.35 174.80 1jg9 s ALA 577 N 1.65 3.23 -0.02 5.97 0.00 0.19 -0.38 121.76 132.40 1jg9 s ALA 577 Ca 0.05 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1jg9 s ALA 577 Cb -0.17 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.31 1jg9 s ALA 577 CO 0.07 0.35 -0.20 -0.06 0.00 0.00 0.00 175.76 175.93 1jg9 s PHE 578 N -0.12 1.79 -0.06 0.00 0.08 -0.58 -1.79 117.98 117.30 1jg9 s PHE 578 Ca 0.04 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 1jg9 s PHE 578 Cb -0.13 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1jg9 s PHE 578 CO 0.02 -0.05 0.01 0.20 -0.10 0.00 0.00 175.22 175.29 1jg9 s GLY 579 N -0.39 0.42 -0.36 4.36 0.00 -0.17 -1.46 107.32 109.73 1jg9 s GLY 579 Ca 0.06 -0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 1jg9 s GLY 579 CO -0.00 1.11 0.56 0.21 0.00 0.00 0.00 173.10 174.98 1jg9 s ASN 580 N 1.89 6.35 -0.03 1.64 2.47 -0.72 -1.06 114.94 125.49 1jg9 s ASN 580 Ca 0.03 0.01 0.15 0.00 0.42 0.00 0.00 52.86 53.47 1jg9 s ASN 580 Cb -0.12 -2.29 0.49 0.00 -1.45 0.00 0.00 41.25 37.88 1jg9 s ASN 580 CO -0.04 -0.53 1.39 0.49 -3.72 0.00 0.00 177.10 174.68 1jg9 n PHE 581 N 5.86 0.85 -3.93 0.43 3.01 -0.06 -2.77 117.46 120.86 1jg9 n PHE 581 Ca -0.03 -0.38 -0.32 0.00 1.01 0.00 0.00 57.45 57.72 1jg9 n PHE 581 Cb 0.49 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.84 1jg9 n PHE 581 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1jg9 s SER 582 N -0.92 6.29 0.00 4.37 0.15 -1.26 -4.52 113.70 117.80 1jg9 s SER 582 Ca 0.36 0.27 0.11 0.00 0.70 0.00 0.00 55.95 57.39 1jg9 s SER 582 Cb 0.20 -1.93 0.46 0.00 -1.71 0.00 0.00 66.02 63.04 1jg9 s SER 582 CO 0.22 0.20 1.32 -1.84 1.20 0.00 0.00 173.24 174.35 1jg9 n GLU 583 N 0.55 1.35 -4.41 5.44 0.00 -1.26 -2.18 120.64 120.14 1jg9 n GLU 583 Ca -0.07 -0.54 -0.23 0.00 0.00 0.00 0.00 57.16 56.31 1jg9 n GLU 583 Cb 0.52 -1.21 -0.11 0.00 0.00 0.00 0.00 31.44 30.64 1jg9 n GLU 583 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jg9 s TYR 584 N -1.83 2.08 0.48 -1.84 2.02 -1.26 -4.69 117.35 112.30 1jg9 s TYR 584 Ca 0.18 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.23 1jg9 s TYR 584 Cb 0.09 -0.96 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 1jg9 s TYR 584 CO 0.14 0.52 1.39 -2.14 -1.57 0.00 0.00 175.55 173.89 1jg9 s PRO 585 N -3.21 3.54 0.01 -1.71 0.02 -1.26 -4.20 135.00 128.19 1jg9 s PRO 585 Ca 0.24 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.60 1jg9 s PRO 585 Cb -0.05 -2.54 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 1jg9 s PRO 585 CO 0.10 -0.91 -0.05 -0.65 -0.33 0.00 0.00 177.00 175.17 1jg9 s GLN 586 N -2.58 0.36 0.03 5.54 -1.52 -0.45 -4.97 119.66 116.07 1jg9 s GLN 586 Ca 0.64 -0.32 0.05 0.00 -1.95 0.00 0.00 55.36 53.79 1jg9 s GLN 586 Cb -0.42 -0.26 -0.03 0.00 -0.22 0.00 0.00 33.01 32.07 1jg9 s GLN 586 CO 0.53 0.06 -0.12 0.99 -0.25 0.00 0.00 175.29 176.50 1jg9 s THR 587 N -0.50 3.26 -0.23 -0.19 2.01 -1.26 -0.30 115.64 118.43 1jg9 s THR 587 Ca -0.03 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 1jg9 s THR 587 Cb -0.04 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1jg9 s THR 587 CO -0.00 0.34 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.56 1jg9 s VAL 588 N -0.99 3.47 0.73 3.82 1.01 0.26 -4.75 120.40 123.94 1jg9 s VAL 588 Ca 0.17 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1jg9 s VAL 588 Cb -0.11 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1jg9 s VAL 588 CO 0.07 0.37 1.10 0.42 0.00 0.00 0.00 175.10 177.06 1jg9 s THR 589 N 1.48 3.23 0.32 3.92 -4.23 -1.26 -0.48 115.64 118.61 1jg9 s THR 589 Ca 0.05 0.48 -0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1jg9 s THR 589 Cb -0.15 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.98 1jg9 s THR 589 CO -0.02 -0.45 1.97 0.00 -0.54 0.00 0.00 174.62 175.58 1jg9 h ALA 590 N -0.62 1.44 -0.72 3.99 0.00 -1.91 -1.50 119.26 119.96 1jg9 h ALA 590 Ca -0.45 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.43 1jg9 h ALA 590 Cb 1.24 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1jg9 h ALA 590 CO 0.52 0.50 0.44 1.25 0.00 0.00 0.00 179.25 181.96 1jg9 h HIS 591 N 0.99 0.82 -0.03 0.00 6.17 -1.92 -1.79 115.15 119.40 1jg9 h HIS 591 Ca 0.26 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.29 1jg9 h HIS 591 Cb -0.08 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.57 1jg9 h HIS 591 CO 0.00 0.45 -0.34 1.15 0.71 0.00 0.00 177.93 179.90 1jg9 h THR 592 N 0.84 1.25 -0.39 6.26 2.02 -1.65 -3.08 112.91 118.17 1jg9 h THR 592 Ca 0.30 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1jg9 h THR 592 Cb 0.07 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1jg9 h THR 592 CO -0.13 0.35 0.00 0.18 0.37 0.00 0.00 175.52 176.29 1jg9 n LEU 593 N -4.12 2.45 -0.12 2.58 4.77 -0.72 -4.59 117.00 117.24 1jg9 n LEU 593 Ca -0.02 -1.16 0.21 0.00 -0.03 0.00 0.00 56.01 55.02 1jg9 n LEU 593 Cb 0.39 -0.25 0.63 0.00 -2.33 0.00 0.00 43.42 41.86 1jg9 n LEU 593 CO 0.39 0.58 1.22 1.56 -1.33 0.00 0.00 177.39 179.80 1jg9 h GLN 594 N 2.88 0.15 0.00 3.23 4.20 -1.33 -1.66 115.11 122.59 1jg9 h GLN 594 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jg9 h GLN 594 Cb 0.65 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1jg9 h GLN 594 CO 0.00 0.10 -0.24 0.00 -0.67 0.00 0.00 178.83 178.02 1jg9 n ALA 595 N -2.62 2.89 -1.91 3.87 0.00 -1.26 -4.91 120.51 116.57 1jg9 n ALA 595 Ca 0.15 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1jg9 n ALA 595 Cb 0.70 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1jg9 n ALA 595 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1jg9 s MET 596 N -3.00 3.63 0.71 0.00 -1.94 -0.63 -5.03 119.30 113.04 1jg9 s MET 596 Ca 0.12 0.71 -0.16 0.00 -1.71 0.00 0.00 55.69 54.65 1jg9 s MET 596 Cb 0.18 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.93 1jg9 s MET 596 CO 0.61 -0.50 1.26 -2.14 -0.01 0.00 0.00 175.02 174.24 1jg9 s PRO 597 N -5.02 2.19 0.32 2.03 0.02 -1.26 -4.89 135.00 128.39 1jg9 s PRO 597 Ca 0.55 1.96 0.01 0.00 0.02 0.00 0.00 61.00 63.53 1jg9 s PRO 597 Cb -0.11 -1.82 0.56 0.00 0.02 0.00 0.00 34.50 33.16 1jg9 s PRO 597 CO 0.51 -1.84 1.96 0.74 -0.33 0.00 0.00 177.00 178.04 1jg9 h PHE 598 N -0.00 0.94 -3.30 6.54 -1.00 -1.95 -3.39 116.94 114.77 1jg9 h PHE 598 Ca -0.49 0.02 -0.43 0.00 2.81 0.00 0.00 57.97 59.88 1jg9 h PHE 598 Cb 1.32 -0.31 -0.17 0.00 3.61 0.00 0.00 35.95 40.40 1jg9 h PHE 598 CO 0.43 0.55 -0.75 0.15 -1.61 0.00 0.00 178.31 177.08 1jg9 s LYS 599 N -5.83 1.17 -0.27 1.51 -0.14 -1.26 -0.58 119.74 114.33 1jg9 s LYS 599 Ca -0.11 -1.40 -0.23 0.00 -1.36 0.00 0.00 55.97 52.87 1jg9 s LYS 599 Cb 0.19 -1.02 0.08 0.00 -1.68 0.00 0.00 37.83 35.40 1jg9 s LYS 599 CO 0.78 0.18 0.74 0.00 -0.76 0.00 0.00 175.35 176.30 1jg9 s ALA 600 N -2.51 -1.82 0.01 5.17 0.00 -0.70 -4.92 121.76 116.99 1jg9 s ALA 600 Ca 0.15 2.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.95 1jg9 s ALA 600 Cb -0.03 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.79 1jg9 s ALA 600 CO 0.04 -0.34 0.83 -1.58 0.00 0.00 0.00 175.76 174.71 1jg9 s HIS 601 N 0.64 3.69 -0.35 0.00 2.46 -1.26 -0.37 115.29 120.10 1jg9 s HIS 601 Ca -0.02 1.52 -0.17 0.00 0.47 0.00 0.00 55.06 56.85 1jg9 s HIS 601 Cb -0.05 -2.92 -0.01 0.00 -0.13 0.00 0.00 32.58 29.47 1jg9 s HIS 601 CO -0.04 0.14 0.47 0.34 -2.47 0.00 0.00 174.74 173.19 1jg9 s ASP 602 N 0.44 6.28 0.50 9.88 2.15 0.15 -1.47 116.67 134.61 1jg9 s ASP 602 Ca 0.43 -0.09 0.29 0.00 0.43 0.00 0.00 52.55 53.61 1jg9 s ASP 602 Cb -0.20 -2.25 1.26 0.00 -0.30 0.00 0.00 42.92 41.42 1jg9 s ASP 602 CO 0.24 -0.44 1.96 -0.07 -0.17 0.00 0.00 175.17 176.68 1jg9 h LEU 603 N 9.00 0.00 0.31 -1.34 3.38 -1.20 0.20 115.31 125.66 1jg9 h LEU 603 Ca -0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1jg9 h LEU 603 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1jg9 h LEU 603 CO 0.75 0.13 -0.15 0.40 0.09 0.00 0.00 178.44 179.66 1jg9 h ILE 604 N 0.00 0.21 0.00 1.22 1.08 -1.88 -3.36 117.51 114.79 1jg9 h ILE 604 Ca -0.00 -0.76 0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1jg9 h ILE 604 Cb 0.54 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1jg9 h ILE 604 CO 0.02 0.06 -0.66 0.61 -0.69 0.00 0.00 178.15 177.48 1jg9 n GLY 605 N 0.56 -1.38 2.09 5.37 0.00 -1.24 -4.98 105.19 105.61 1jg9 n GLY 605 Ca -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1jg9 n GLY 605 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jg9 n GLY 606 N 1.35 0.59 3.58 -0.02 0.00 0.71 -5.05 105.19 106.36 1jg9 n GLY 606 Ca 0.03 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 1jg9 n GLY 606 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jg9 s LYS 607 N -2.04 2.05 -0.10 1.61 1.02 -1.20 -4.88 119.74 116.20 1jg9 s LYS 607 Ca 0.00 -1.59 -0.24 0.00 0.02 0.00 0.00 55.97 54.16 1jg9 s LYS 607 Cb 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1jg9 s LYS 607 CO 0.00 0.31 0.73 0.99 -0.92 0.00 0.00 175.35 176.46 1jg9 s THR 608 N -2.42 5.00 -0.09 2.17 2.01 -1.26 -0.67 115.64 120.38 1jg9 s THR 608 Ca 0.32 1.47 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1jg9 s THR 608 Cb -0.05 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1jg9 s THR 608 CO 0.18 0.18 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.53 1jg9 s VAL 609 N 1.22 3.62 -0.13 3.82 1.01 0.50 -4.94 120.40 125.50 1jg9 s VAL 609 Ca 0.37 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 1jg9 s VAL 609 Cb -0.17 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1jg9 s VAL 609 CO 0.16 0.57 0.68 -0.44 0.00 0.00 0.00 175.10 176.07 1jg9 s SER 610 N -0.45 6.86 0.00 3.32 0.01 -1.26 -1.72 113.70 120.46 1jg9 s SER 610 Ca 0.07 1.04 0.17 0.00 1.31 0.00 0.00 55.95 58.53 1jg9 s SER 610 Cb -0.12 -2.39 0.37 0.00 0.21 0.00 0.00 66.02 64.10 1jg9 s SER 610 CO 0.02 -0.21 1.29 0.18 0.41 0.00 0.00 173.24 174.94 1jg9 n LEU 611 N 4.43 3.14 -2.00 2.44 4.77 0.25 -4.35 117.00 125.69 1jg9 n LEU 611 Ca -0.01 -1.70 -0.09 0.00 -0.03 0.00 0.00 56.01 54.19 1jg9 n LEU 611 Cb 0.50 -0.25 0.27 0.00 -2.33 0.00 0.00 43.42 41.61 1jg9 n LEU 611 CO 0.46 0.73 1.05 -0.46 -1.33 0.00 0.00 177.39 177.84 1jg9 n ASN 612 N 1.05 4.55 -3.87 -1.43 6.94 -1.24 -4.62 115.26 116.64 1jg9 n ASN 612 Ca 0.16 -3.21 -0.08 0.00 -0.02 0.00 0.00 54.58 51.43 1jg9 n ASN 612 Cb 0.50 -0.75 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 1jg9 n ASN 612 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jg9 s GLN 613 N -2.89 1.73 0.30 -3.83 -2.07 -1.26 -4.98 119.66 106.66 1jg9 s GLN 613 Ca 0.53 -1.01 -0.29 0.00 -1.82 0.00 0.00 55.36 52.76 1jg9 s GLN 613 Cb 0.42 0.59 -0.13 0.00 -1.09 0.00 0.00 33.01 32.80 1jg9 s GLN 613 CO 0.13 -0.78 1.34 -0.25 -1.32 0.00 0.00 175.29 174.41 1jg9 n ASP 614 N -0.44 2.78 -4.26 12.60 9.92 -1.26 -4.13 116.55 131.77 1jg9 n ASP 614 Ca -0.04 1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 55.04 1jg9 n ASP 614 Cb 0.60 -1.46 -0.13 0.00 -0.64 0.00 0.00 41.12 39.48 1jg9 n ASP 614 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1jg9 s LEU 615 N -0.55 3.70 -0.22 0.64 2.96 0.36 -4.89 118.68 120.69 1jg9 s LEU 615 Ca 0.60 -0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 53.52 1jg9 s LEU 615 Cb -0.60 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1jg9 s LEU 615 CO 0.57 -0.20 0.06 -0.89 -1.32 0.00 0.00 176.35 174.57 1jg9 s THR 616 N 1.38 4.51 -0.14 3.68 2.01 -1.26 -0.58 115.64 125.25 1jg9 s THR 616 Ca -0.00 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 1jg9 s THR 616 Cb -0.18 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1jg9 s THR 616 CO -0.00 0.40 0.13 -0.76 -0.69 0.00 0.00 174.62 173.69 1jg9 s LEU 617 N 1.01 4.27 0.92 4.42 1.43 0.59 -4.94 118.68 126.38 1jg9 s LEU 617 Ca 0.04 0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1jg9 s LEU 617 Cb -0.14 -2.06 0.14 0.00 0.03 0.00 0.00 46.19 44.16 1jg9 s LEU 617 CO 0.03 0.34 1.10 -1.10 0.23 0.00 0.00 176.35 176.95 1jg9 s GLN 618 N -0.58 1.07 0.03 1.70 -1.52 -1.26 -1.34 119.66 117.76 1jg9 s GLN 618 Ca 0.12 0.58 -0.37 0.00 -1.95 0.00 0.00 55.36 53.75 1jg9 s GLN 618 Cb -0.12 -1.81 -0.16 0.00 -0.22 0.00 0.00 33.01 30.71 1jg9 s GLN 618 CO 0.02 -2.31 1.50 -2.30 -0.25 0.00 0.00 175.29 171.95 1jg9 n PRO 619 N -3.89 1.42 -1.25 2.91 -0.02 -1.26 -1.14 135.00 131.77 1jg9 n PRO 619 Ca 0.06 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1jg9 n PRO 619 Cb 0.57 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1jg9 n PRO 619 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jg9 n TYR 620 N 3.48 -0.03 -2.26 6.00 4.01 -0.92 -4.95 117.16 122.49 1jg9 n TYR 620 Ca 0.20 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.56 1jg9 n TYR 620 Cb 0.21 -2.61 -0.01 0.00 -0.31 0.00 0.00 39.34 36.61 1jg9 n TYR 620 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1jg9 s GLN 621 N -2.75 3.91 -0.03 -0.72 0.74 -0.29 -4.64 119.66 115.87 1jg9 s GLN 621 Ca 0.00 1.82 0.06 0.00 0.05 0.00 0.00 55.36 57.30 1jg9 s GLN 621 Cb 0.00 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.55 1jg9 s GLN 621 CO 0.00 -0.44 -0.22 0.08 -0.55 0.00 0.00 175.29 174.16 1jg9 s VAL 622 N -1.47 1.77 -0.03 1.34 1.01 -1.26 -1.75 120.40 120.00 1jg9 s VAL 622 Ca 0.60 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1jg9 s VAL 622 Cb -0.30 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1jg9 s VAL 622 CO 0.37 0.50 -0.14 -0.04 0.00 0.00 0.00 175.10 175.79 1jg9 s MET 623 N -0.35 1.38 -0.43 2.72 -1.94 -0.53 -4.76 119.30 115.40 1jg9 s MET 623 Ca 0.04 -0.51 0.04 0.00 -1.71 0.00 0.00 55.69 53.55 1jg9 s MET 623 Cb -0.10 -1.26 0.12 0.00 2.01 0.00 0.00 34.83 35.59 1jg9 s MET 623 CO 0.01 0.24 0.16 -1.58 -0.01 0.00 0.00 175.02 173.83 1jg9 s TRP 624 N -0.06 3.39 -0.17 -0.03 0.51 -1.26 -1.53 118.94 119.78 1jg9 s TRP 624 Ca -0.00 -3.05 -0.18 0.00 -2.12 0.00 0.00 56.10 50.75 1jg9 s TRP 624 Cb -0.09 -2.82 -0.04 0.00 -0.81 0.00 0.00 33.47 29.72 1jg9 s TRP 624 CO 0.01 -0.84 0.49 -0.51 -0.51 0.00 0.00 176.95 175.59 1jg9 s LEU 625 N 0.33 4.19 -0.55 2.99 1.43 0.48 -0.66 118.68 126.89 1jg9 s LEU 625 Ca 0.14 0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 53.69 1jg9 s LEU 625 Cb -0.22 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.35 1jg9 s LEU 625 CO -0.04 -0.11 1.03 -1.61 0.23 0.00 0.00 176.35 175.84 1jg9 s GLU 626 N 1.28 3.42 0.00 1.70 2.02 -0.54 -0.38 118.70 126.19 1jg9 s GLU 626 Ca 0.24 -0.04 0.21 0.00 0.02 0.00 0.00 54.97 55.39 1jg9 s GLU 626 Cb -0.15 -4.03 0.44 0.00 0.10 0.00 0.00 34.13 30.49 1jg9 s GLU 626 CO 0.10 -1.52 1.38 0.44 0.02 0.00 0.00 175.26 175.67 1jg9 n ILE 627 N 6.38 0.66 -1.03 -1.63 -5.35 -0.08 -4.03 119.36 114.28 1jg9 n ILE 627 Ca 0.05 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.69 1jg9 n ILE 627 Cb 0.48 0.82 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1jg9 n ILE 627 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79