#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr9 s SER 9 N 0.00 2.70 -0.01 -3.46 0.15 -1.26 -4.90 113.70 106.92 3gr9 s SER 9 Ca 0.00 -0.49 0.22 0.00 0.70 0.00 0.00 55.95 56.38 3gr9 s SER 9 Cb 0.00 -1.24 -0.29 0.00 -1.71 0.00 0.00 66.02 62.78 3gr9 s SER 9 CO 0.00 0.09 0.60 0.35 1.20 0.00 0.00 173.24 175.47 3gr9 n THR 10 N 3.84 0.03 -2.47 6.45 -2.24 -1.26 -5.00 114.28 113.63 3gr9 n THR 10 Ca -0.20 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 3gr9 n THR 10 Cb 0.52 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 3gr9 n THR 10 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3gr9 s TRP 11 N -3.41 3.52 0.00 4.78 0.52 -1.26 -5.03 118.94 118.06 3gr9 s TRP 11 Ca -0.04 1.49 0.00 0.00 0.02 0.00 0.00 56.10 57.56 3gr9 s TRP 11 Cb 0.14 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 29.13 3gr9 s TRP 11 CO 0.89 -0.87 0.00 -3.47 0.02 0.00 0.00 176.95 173.52 3gr9 n ASP 12 N 2.95 0.00 -0.02 2.95 -0.08 -1.26 -5.01 116.55 116.09 3gr9 n ASP 12 Ca 0.05 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.34 3gr9 n ASP 12 Cb 0.46 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.85 3gr9 n ASP 12 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3gr9 n ASP 13 N 0.00 2.75 -0.06 1.67 5.75 -1.26 -4.35 116.55 121.04 3gr9 n ASP 13 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 54.93 3gr9 n ASP 13 Cb 0.00 1.17 0.57 0.00 -1.03 0.00 0.00 41.12 41.82 3gr9 n ASP 13 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3gr9 h LEU 14 N 0.00 0.25 -0.60 -2.12 4.07 -1.97 0.30 115.31 115.24 3gr9 h LEU 14 Ca -0.10 0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.75 3gr9 h LEU 14 Cb 0.89 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3gr9 h LEU 14 CO 0.01 0.14 -0.25 -0.33 -1.08 0.00 0.00 178.44 176.93 3gr9 h GLU 15 N 0.27 0.85 -0.09 1.13 3.07 -1.94 0.51 114.58 118.37 3gr9 h GLU 15 Ca 0.28 -0.36 -0.17 0.00 -0.50 0.00 0.00 59.36 58.61 3gr9 h GLU 15 Cb 0.74 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3gr9 h GLU 15 CO -0.06 1.00 -0.68 1.88 -1.40 0.00 0.00 179.01 179.75 3gr9 h TYR 16 N 0.73 0.53 -0.23 4.33 -1.99 -0.91 -2.17 116.97 117.26 3gr9 h TYR 16 Ca 0.09 -0.22 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 3gr9 h TYR 16 Cb 0.79 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 3gr9 h TYR 16 CO 0.04 0.96 -0.09 -0.22 -0.00 0.00 0.00 178.16 178.85 3gr9 h LYS 17 N 0.28 0.37 0.15 4.88 3.11 -0.18 0.16 116.57 125.34 3gr9 h LYS 17 Ca -0.02 -0.08 -0.31 0.00 -2.81 0.00 0.00 60.65 57.43 3gr9 h LYS 17 Cb 1.24 -0.05 0.03 0.00 -1.00 0.00 0.00 32.23 32.45 3gr9 h LYS 17 CO 0.12 0.47 -1.30 0.00 -2.81 0.00 0.00 179.45 175.92 3gr9 h ALA 18 N 1.57 -0.04 -0.34 5.00 0.00 0.15 -2.79 119.26 122.81 3gr9 h ALA 18 Ca 0.07 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 3gr9 h ALA 18 Cb 0.38 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gr9 h ALA 18 CO 0.02 0.70 -0.16 0.82 0.00 0.00 0.00 179.25 180.63 3gr9 h ILE 19 N 0.24 1.25 -0.57 0.00 2.04 -1.17 -2.78 117.51 116.53 3gr9 h ILE 19 Ca -0.20 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3gr9 h ILE 19 Cb 1.98 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 39.20 3gr9 h ILE 19 CO 0.25 0.38 0.32 -0.61 0.00 0.00 0.00 178.15 178.49 3gr9 h GLN 20 N 0.55 0.79 -0.38 2.37 -0.00 -0.65 -2.35 115.11 115.44 3gr9 h GLN 20 Ca 0.09 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3gr9 h GLN 20 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.89 3gr9 h GLN 20 CO 0.04 0.59 0.13 0.77 0.00 0.00 0.00 178.83 180.36 3gr9 h SER 21 N 0.76 0.49 0.08 -0.69 0.02 -1.25 0.16 113.55 113.12 3gr9 h SER 21 Ca 0.20 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3gr9 h SER 21 Cb 0.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.45 3gr9 h SER 21 CO -0.03 0.46 -0.04 0.58 -1.14 0.00 0.00 176.83 176.66 3gr9 h VAL 22 N 0.54 1.05 -0.03 2.27 2.07 -1.19 -2.04 116.25 118.92 3gr9 h VAL 22 Ca 0.13 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.23 3gr9 h VAL 22 Cb 0.14 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3gr9 h VAL 22 CO -0.01 0.11 -0.10 -0.07 0.02 0.00 0.00 177.57 177.52 3gr9 h LEU 23 N -0.30 -0.30 -1.20 2.57 3.38 -1.05 0.18 115.31 118.59 3gr9 h LEU 23 Ca -0.01 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.16 3gr9 h LEU 23 Cb 0.26 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3gr9 h LEU 23 CO 0.02 -0.14 0.87 0.44 0.09 0.00 0.00 178.44 179.71 3gr9 h ASP 24 N -0.16 0.00 0.58 -0.43 3.32 -0.34 0.45 116.42 119.83 3gr9 h ASP 24 Ca 0.05 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 3gr9 h ASP 24 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 3gr9 h ASP 24 CO -0.12 0.00 -1.47 -1.54 -1.72 0.00 0.00 179.24 174.39 3gr9 n SER 25 N -3.16 0.55 -0.73 6.45 3.41 0.59 -4.95 113.62 115.78 3gr9 n SER 25 Ca 0.11 0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 3gr9 n SER 25 Cb 1.05 0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 65.83 3gr9 n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gr9 n LYS 26 N -2.61 -0.87 -3.87 4.33 5.02 0.16 -4.94 118.16 115.37 3gr9 n LYS 26 Ca -0.05 0.79 -0.28 0.00 -2.02 0.00 0.00 58.31 56.75 3gr9 n LYS 26 Cb 0.66 -4.76 -0.12 0.00 -0.02 0.00 0.00 35.03 30.79 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3gr9 n MET 27 N -2.30 1.85 -0.04 1.97 2.81 -1.25 -4.94 117.12 115.21 3gr9 n MET 27 Ca -0.10 -4.49 0.12 0.00 -1.81 0.00 0.00 57.70 51.43 3gr9 n MET 27 Cb 0.37 -2.28 0.51 0.00 -0.71 0.00 0.00 33.22 31.11 3gr9 n MET 27 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3gr9 n PHE 28 N 1.91 0.09 -3.74 2.03 3.72 -1.26 -4.88 117.46 115.34 3gr9 n PHE 28 Ca 0.21 -0.05 -0.37 0.00 -0.05 0.00 0.00 57.45 57.19 3gr9 n PHE 28 Cb 0.35 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 3gr9 n PHE 28 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gr9 s THR 29 N -1.91 5.31 -0.36 4.37 2.01 -1.26 -2.50 115.64 121.31 3gr9 s THR 29 Ca 0.34 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 3gr9 s THR 29 Cb 0.18 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 69.02 3gr9 s THR 29 CO 0.28 0.53 1.45 0.80 -0.69 0.00 0.00 174.62 176.99 3gr9 n MET 30 N 1.68 0.00 0.00 4.92 1.56 -1.25 -4.50 117.12 119.53 3gr9 n MET 30 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.27 3gr9 n MET 30 Cb 0.54 -0.99 0.00 0.00 2.15 0.00 0.00 33.22 34.92 3gr9 n MET 30 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3gr9 n GLY 31 N 4.88 4.06 0.06 -5.12 0.00 -1.26 -4.98 105.19 102.83 3gr9 n GLY 31 Ca 0.37 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3gr9 n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gr9 h GLU 32 N 0.00 0.04 -0.50 1.61 3.07 -1.96 -2.90 114.58 113.93 3gr9 h GLU 32 Ca 0.00 -0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.94 3gr9 h GLU 32 Cb 0.00 -0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 3gr9 h GLU 32 CO 0.00 0.33 0.05 1.88 -1.40 0.00 0.00 179.01 179.87 3gr9 h TYR 33 N -0.26 0.06 -0.56 4.33 0.05 -1.92 0.34 116.97 119.01 3gr9 h TYR 33 Ca 0.01 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.88 3gr9 h TYR 33 Cb 0.31 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3gr9 h TYR 33 CO 0.03 -0.07 0.26 0.28 -1.05 0.00 0.00 178.16 177.61 3gr9 h VAL 34 N 0.17 0.90 -0.07 -2.88 2.07 -1.80 0.49 116.25 115.13 3gr9 h VAL 34 Ca 0.26 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 3gr9 h VAL 34 Cb 0.37 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3gr9 h VAL 34 CO -0.38 0.09 -0.03 0.50 0.02 0.00 0.00 177.57 177.77 3gr9 h LYS 35 N 0.49 0.14 -0.61 1.57 3.64 -1.04 -0.27 116.57 120.49 3gr9 h LYS 35 Ca 0.26 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3gr9 h LYS 35 Cb 0.22 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 3gr9 h LYS 35 CO -0.21 0.50 0.06 0.37 -2.27 0.00 0.00 179.45 177.91 3gr9 h GLN 36 N -0.24 0.17 -0.51 1.90 4.15 0.12 -0.65 115.11 120.06 3gr9 h GLN 36 Ca 0.02 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3gr9 h GLN 36 Cb 0.46 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3gr9 h GLN 36 CO 0.01 0.12 0.23 -0.92 -1.93 0.00 0.00 178.83 176.33 3gr9 h TYR 37 N 0.18 0.71 -0.35 3.99 3.20 0.41 -2.29 116.97 122.83 3gr9 h TYR 37 Ca 0.32 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.04 3gr9 h TYR 37 Cb 0.51 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3gr9 h TYR 37 CO -0.31 0.54 -0.30 0.93 -1.64 0.00 0.00 178.16 177.38 3gr9 h GLU 38 N 0.72 0.82 -0.94 1.82 5.08 0.38 -0.60 114.58 121.85 3gr9 h GLU 38 Ca 0.18 -0.42 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3gr9 h GLU 38 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3gr9 h GLU 38 CO -0.02 1.05 0.62 1.15 -1.00 0.00 0.00 179.01 180.81 3gr9 h THR 39 N 0.61 1.21 0.14 1.13 2.02 -0.88 -0.90 112.91 116.25 3gr9 h THR 39 Ca 0.06 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3gr9 h THR 39 Cb 0.88 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3gr9 h THR 39 CO 0.08 0.23 -0.07 1.56 0.37 0.00 0.00 175.52 177.69 3gr9 h GLN 40 N 1.25 -0.19 0.04 6.66 1.08 -1.31 -2.31 115.11 120.33 3gr9 h GLN 40 Ca 0.36 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.60 3gr9 h GLN 40 Cb -0.09 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3gr9 h GLN 40 CO -0.09 0.14 -0.41 0.35 -0.95 0.00 0.00 178.83 177.87 3gr9 h PHE 41 N -0.54 -1.14 -0.00 2.96 3.04 -0.74 1.01 116.94 121.53 3gr9 h PHE 41 Ca -0.02 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.98 3gr9 h PHE 41 Cb 0.42 0.50 -0.04 0.00 2.56 0.00 0.00 35.95 39.38 3gr9 h PHE 41 CO 0.03 -0.49 -0.41 0.00 -2.02 0.00 0.00 178.31 175.42 3gr9 h ALA 42 N -0.04 -0.84 -0.91 2.41 0.00 -1.23 0.33 119.26 118.99 3gr9 h ALA 42 Ca 0.04 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.14 3gr9 h ALA 42 Cb 0.65 0.85 -0.16 0.00 0.00 0.00 0.00 17.79 19.13 3gr9 h ALA 42 CO -0.29 -0.96 0.14 -0.22 0.00 0.00 0.00 179.25 177.92 3gr9 h LYS 43 N -0.51 0.10 -0.61 0.00 3.64 -1.07 0.36 116.57 118.48 3gr9 h LYS 43 Ca 0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3gr9 h LYS 43 Cb 0.55 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3gr9 h LYS 43 CO -0.27 0.06 0.40 1.15 -2.27 0.00 0.00 179.45 178.52 3gr9 h THR 44 N 0.10 0.98 -0.01 1.00 2.02 0.49 -3.09 112.91 114.41 3gr9 h THR 44 Ca 0.57 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.55 3gr9 h THR 44 Cb 1.17 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3gr9 h THR 44 CO -0.77 0.10 -0.14 0.49 0.37 0.00 0.00 175.52 175.58 3gr9 n PHE 45 N -4.48 0.00 -0.33 3.16 3.01 0.72 -4.99 117.46 114.55 3gr9 n PHE 45 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3gr9 n PHE 45 Cb 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 3gr9 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gr9 n GLY 46 N 0.74 0.82 3.82 1.37 0.00 0.91 -4.52 105.19 108.34 3gr9 n GLY 46 Ca 0.04 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3gr9 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gr9 s SER 47 N -2.13 6.98 0.18 1.61 1.04 -0.90 -4.97 113.70 115.51 3gr9 s SER 47 Ca 0.00 1.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.50 3gr9 s SER 47 Cb 0.00 -2.33 0.08 0.00 0.10 0.00 0.00 66.02 63.88 3gr9 s SER 47 CO 0.00 0.26 1.69 0.11 0.98 0.00 0.00 173.24 176.28 3gr9 h LYS 48 N 4.44 1.04 -5.03 4.02 1.57 -1.87 -3.36 116.57 117.38 3gr9 h LYS 48 Ca -0.50 -0.26 -0.33 0.00 -1.87 0.00 0.00 60.65 57.69 3gr9 h LYS 48 Cb 1.21 -0.13 -0.17 0.00 0.08 0.00 0.00 32.23 33.23 3gr9 h LYS 48 CO 0.63 0.95 -0.73 0.71 -0.57 0.00 0.00 179.45 180.44 3gr9 s TYR 49 N -5.27 1.15 -0.06 -1.35 1.51 0.82 -4.92 117.35 109.24 3gr9 s TYR 49 Ca -0.12 -0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 55.21 3gr9 s TYR 49 Cb 0.14 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.40 3gr9 s TYR 49 CO 0.83 0.03 0.14 0.00 -1.11 0.00 0.00 175.55 175.45 3gr9 s ALA 50 N -2.73 -0.31 -0.09 3.71 0.00 -1.26 -1.20 121.76 119.88 3gr9 s ALA 50 Ca 0.09 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.56 3gr9 s ALA 50 Cb -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3gr9 s ALA 50 CO 0.00 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.57 3gr9 s VAL 51 N 0.43 1.57 -0.12 0.00 1.01 0.44 -4.83 120.40 118.89 3gr9 s VAL 51 Ca -0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3gr9 s VAL 51 Cb -0.04 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3gr9 s VAL 51 CO -0.02 0.45 0.22 -0.32 0.00 0.00 0.00 175.10 175.44 3gr9 s MET 52 N 0.58 3.87 0.23 2.72 1.75 -1.26 0.11 119.30 127.30 3gr9 s MET 52 Ca -0.15 0.00 0.05 0.00 -1.25 0.00 0.00 55.69 54.34 3gr9 s MET 52 Cb -0.17 -3.30 -0.02 0.00 2.84 0.00 0.00 34.83 34.19 3gr9 s MET 52 CO 0.05 0.54 0.21 1.33 -0.65 0.00 0.00 175.02 176.50 3gr9 n VAL 53 N 2.64 0.00 -0.14 10.11 0.24 -0.08 -4.48 118.33 126.63 3gr9 n VAL 53 Ca -0.16 -1.67 -0.04 0.00 -2.04 0.00 0.00 64.34 60.43 3gr9 n VAL 53 Cb 0.53 0.85 0.02 0.00 -1.47 0.00 0.00 33.84 33.77 3gr9 n VAL 53 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3gr9 h SER 54 N 1.43 -0.40 -5.01 -1.34 4.64 -0.95 -2.61 113.55 109.30 3gr9 h SER 54 Ca -0.17 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3gr9 h SER 54 Cb 0.84 0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3gr9 h SER 54 CO 0.24 -0.14 0.26 -0.94 -0.87 0.00 0.00 176.83 175.38 3gr9 s SER 55 N -5.22 0.02 0.20 4.97 1.04 -1.26 -2.67 113.70 110.78 3gr9 s SER 55 Ca -0.14 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.05 3gr9 s SER 55 Cb 0.15 0.85 0.21 0.00 0.10 0.00 0.00 66.02 67.33 3gr9 s SER 55 CO 0.71 -1.67 1.80 1.23 0.98 0.00 0.00 173.24 176.29 3gr9 h GLY 56 N 2.00 0.90 0.41 7.32 0.00 -1.66 0.92 103.07 112.96 3gr9 h GLY 56 Ca -0.32 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 46.82 3gr9 h GLY 56 CO 0.40 0.14 -0.22 1.76 0.00 0.00 0.00 176.54 178.62 3gr9 h SER 57 N 0.63 -0.67 0.23 0.19 0.02 -1.91 -0.99 113.55 111.05 3gr9 h SER 57 Ca 0.28 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 3gr9 h SER 57 Cb 0.17 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3gr9 h SER 57 CO -0.18 -0.28 -0.14 0.71 -1.14 0.00 0.00 176.83 175.80 3gr9 h THR 58 N -0.32 0.87 0.11 -2.27 1.35 -1.72 -1.14 112.91 109.79 3gr9 h THR 58 Ca 0.08 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 3gr9 h THR 58 Cb 0.43 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3gr9 h THR 58 CO -0.24 0.14 -0.05 0.00 -0.25 0.00 0.00 175.52 175.11 3gr9 h ALA 59 N 1.86 -0.15 -0.78 6.62 0.00 0.20 -1.81 119.26 125.19 3gr9 h ALA 59 Ca -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3gr9 h ALA 59 Cb 0.30 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3gr9 h ALA 59 CO 0.02 -0.53 0.42 -0.91 0.00 0.00 0.00 179.25 178.24 3gr9 h ASN 60 N -0.25 0.97 -0.10 0.00 2.35 -0.44 -1.16 115.58 116.95 3gr9 h ASN 60 Ca -0.02 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3gr9 h ASN 60 Cb 0.21 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gr9 h ASN 60 CO 0.03 0.78 0.03 0.25 -1.65 0.00 0.00 177.43 176.87 3gr9 h LEU 61 N 1.09 0.03 -1.42 1.61 5.85 -0.91 -2.12 115.31 119.44 3gr9 h LEU 61 Ca 0.27 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3gr9 h LEU 61 Cb 0.03 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gr9 h LEU 61 CO -0.04 0.03 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.89 3gr9 h LEU 62 N 0.07 0.00 -0.60 2.25 3.38 -1.05 -2.19 115.31 117.17 3gr9 h LEU 62 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3gr9 h LEU 62 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gr9 h LEU 62 CO -0.05 0.13 -0.46 -0.03 0.09 0.00 0.00 178.44 178.13 3gr9 h MET 63 N 0.00 0.58 0.01 1.13 4.05 -0.57 -1.31 114.93 118.81 3gr9 h MET 63 Ca -0.00 -0.32 -0.12 0.00 -0.28 0.00 0.00 59.70 58.98 3gr9 h MET 63 Cb 0.58 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.41 3gr9 h MET 63 CO 0.02 0.92 -0.47 0.82 0.23 0.00 0.00 176.91 178.43 3gr9 h ILE 64 N 0.46 1.49 -0.33 1.77 1.08 -1.10 -3.37 117.51 117.52 3gr9 h ILE 64 Ca 0.03 -2.07 -0.05 0.00 -0.39 0.00 0.00 64.86 62.38 3gr9 h ILE 64 Cb 0.98 2.73 -0.01 0.00 -3.07 0.00 0.00 36.82 37.45 3gr9 h ILE 64 CO 0.09 0.59 0.02 0.00 -0.69 0.00 0.00 178.15 178.15 3gr9 h ALA 65 N 0.27 0.45 -0.95 1.87 0.00 -1.39 -3.21 119.26 116.29 3gr9 h ALA 65 Ca -0.06 -0.23 0.28 0.00 0.00 0.00 0.00 54.91 54.90 3gr9 h ALA 65 Cb 1.21 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3gr9 h ALA 65 CO 0.09 0.19 0.43 0.00 0.00 0.00 0.00 179.25 179.96 3gr9 h ALA 66 N 0.86 1.66 0.00 0.00 0.00 -1.39 0.14 119.26 120.54 3gr9 h ALA 66 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gr9 h ALA 66 Cb 0.42 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gr9 h ALA 66 CO 0.01 -0.51 0.00 -0.07 0.00 0.00 0.00 179.25 178.69 3gr9 h LEU 67 N 0.29 0.00 0.00 0.00 3.38 -1.73 0.71 115.31 117.96 3gr9 h LEU 67 Ca 0.65 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.55 3gr9 h LEU 67 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3gr9 h LEU 67 CO -0.62 0.00 -1.03 -0.26 0.09 0.00 0.00 178.44 176.62 3gr9 h PHE 68 N 0.00 0.00 -0.64 1.13 -1.00 -0.86 0.46 116.94 116.03 3gr9 h PHE 68 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3gr9 h PHE 68 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 3gr9 h PHE 68 CO 0.00 0.28 0.00 1.19 -1.61 0.00 0.00 178.31 178.17 3gr9 n PHE 69 N -2.85 1.20 -1.46 -0.55 3.72 0.24 -4.62 117.46 113.14 3gr9 n PHE 69 Ca -0.03 -0.52 -0.32 0.00 -0.05 0.00 0.00 57.45 56.53 3gr9 n PHE 69 Cb 0.68 -0.14 0.08 0.00 -0.94 0.00 0.00 39.48 39.16 3gr9 n PHE 69 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gr9 s THR 70 N -1.52 3.20 0.41 4.37 -4.23 -1.18 -4.84 115.64 111.83 3gr9 s THR 70 Ca 0.47 0.47 0.11 0.00 -1.18 0.00 0.00 61.69 61.56 3gr9 s THR 70 Cb 0.28 -2.95 0.32 0.00 1.34 0.00 0.00 72.50 71.49 3gr9 s THR 70 CO 0.26 -0.43 1.96 0.11 -0.54 0.00 0.00 174.62 175.98 3gr9 h LYS 71 N -0.61 0.51 -3.29 3.99 6.56 -1.94 -1.83 116.57 119.96 3gr9 h LYS 71 Ca -0.45 -0.03 -0.63 0.00 -1.06 0.00 0.00 60.65 58.47 3gr9 h LYS 71 Cb 1.24 -0.12 -0.41 0.00 -0.57 0.00 0.00 32.23 32.38 3gr9 h LYS 71 CO 0.52 0.34 -0.63 0.15 -2.06 0.00 0.00 179.45 177.77 3gr9 s LYS 72 N -5.49 2.02 -0.39 3.15 1.02 -1.26 -5.06 119.74 113.72 3gr9 s LYS 72 Ca -0.08 -2.72 -0.42 0.00 0.02 0.00 0.00 55.97 52.77 3gr9 s LYS 72 Cb 0.20 -3.26 -0.17 0.00 -0.52 0.00 0.00 37.83 34.08 3gr9 s LYS 72 CO 0.76 -1.15 1.86 -2.30 -0.92 0.00 0.00 175.35 173.60 3gr9 n PRO 73 N 2.91 0.62 0.26 -1.68 -0.02 -0.69 -4.82 135.00 131.58 3gr9 n PRO 73 Ca 0.08 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 3gr9 n PRO 73 Cb 0.33 -1.89 0.69 0.00 -0.02 0.00 0.00 33.50 32.60 3gr9 n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gr9 h ARG 74 N 7.86 0.00 -5.30 -0.52 2.47 -1.43 -3.45 114.38 114.01 3gr9 h ARG 74 Ca -0.35 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 57.95 3gr9 h ARG 74 Cb 1.35 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.53 3gr9 h ARG 74 CO 1.00 0.13 -0.69 -0.51 0.56 0.00 0.00 179.97 180.46 3gr9 s LEU 75 N -6.94 2.42 0.03 3.04 1.43 -0.00 -5.02 118.68 113.63 3gr9 s LEU 75 Ca -0.02 -1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 51.73 3gr9 s LEU 75 Cb 0.12 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.92 3gr9 s LEU 75 CO 0.58 -0.36 0.51 -1.59 0.23 0.00 0.00 176.35 175.73 3gr9 s LYS 76 N -3.76 1.00 0.17 1.70 -2.85 -1.26 -4.48 119.74 110.26 3gr9 s LYS 76 Ca 0.25 -0.18 -0.33 0.00 -1.00 0.00 0.00 55.97 54.70 3gr9 s LYS 76 Cb 0.03 0.46 -0.15 0.00 -2.06 0.00 0.00 37.83 36.11 3gr9 s LYS 76 CO 0.08 -0.35 1.28 1.63 0.10 0.00 0.00 175.35 178.08 3gr9 n LYS 77 N 0.54 1.40 -0.41 1.78 4.76 -1.26 -1.13 118.16 123.84 3gr9 n LYS 77 Ca -0.19 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 3gr9 n LYS 77 Cb 0.60 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3gr9 n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gr9 n GLY 78 N 2.24 0.95 3.78 0.72 0.00 0.83 -4.97 105.19 108.74 3gr9 n GLY 78 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3gr9 n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gr9 s ASP 79 N -3.01 5.39 -0.09 1.61 1.01 -0.28 -4.29 116.67 117.01 3gr9 s ASP 79 Ca 0.00 2.00 -0.13 0.00 0.71 0.00 0.00 52.55 55.13 3gr9 s ASP 79 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 3gr9 s ASP 79 CO 0.00 -1.44 0.32 -0.70 0.21 0.00 0.00 175.17 173.56 3gr9 s GLU 80 N -3.91 3.98 0.04 8.23 2.12 -1.26 0.10 118.70 128.01 3gr9 s GLU 80 Ca 0.67 0.19 0.04 0.00 0.36 0.00 0.00 54.97 56.23 3gr9 s GLU 80 Cb -0.20 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 3gr9 s GLU 80 CO 0.37 0.50 -0.11 -1.50 -0.54 0.00 0.00 175.26 173.98 3gr9 s ILE 81 N -0.37 0.83 0.06 -3.70 2.07 0.15 -0.85 121.20 119.39 3gr9 s ILE 81 Ca 0.19 -0.96 0.02 0.00 -1.41 0.00 0.00 60.65 58.49 3gr9 s ILE 81 Cb -0.14 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3gr9 s ILE 81 CO 0.08 -0.14 0.12 -0.63 -1.91 0.00 0.00 174.94 172.46 3gr9 s ILE 82 N -0.98 4.83 0.08 2.00 1.01 -0.14 -0.93 121.20 127.06 3gr9 s ILE 82 Ca -0.03 -0.60 -0.17 0.00 0.00 0.00 0.00 60.65 59.85 3gr9 s ILE 82 Cb -0.08 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.11 3gr9 s ILE 82 CO 0.01 0.16 0.41 0.68 0.00 0.00 0.00 174.94 176.20 3gr9 s VAL 83 N -1.40 0.06 1.09 2.92 -7.23 -0.90 0.22 120.40 115.16 3gr9 s VAL 83 Ca 0.30 -0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 59.80 3gr9 s VAL 83 Cb -0.12 -1.04 0.25 0.00 0.56 0.00 0.00 36.38 36.03 3gr9 s VAL 83 CO 0.23 -0.27 1.24 -2.84 -0.31 0.00 0.00 175.10 173.15 3gr9 s PRO 84 N -3.00 -0.37 0.00 4.82 0.02 -1.26 -0.89 135.00 134.33 3gr9 s PRO 84 Ca -0.02 -0.34 0.22 0.00 0.02 0.00 0.00 61.00 60.88 3gr9 s PRO 84 Cb 0.00 -1.72 0.13 0.00 0.02 0.00 0.00 34.50 32.93 3gr9 s PRO 84 CO -0.06 -3.10 1.16 0.00 -0.33 0.00 0.00 177.00 174.67 3gr9 n ALA 85 N -4.26 2.74 -3.82 -1.55 0.00 -0.76 -4.49 120.51 108.36 3gr9 n ALA 85 Ca 0.15 -0.66 -0.31 0.00 0.00 0.00 0.00 53.44 52.62 3gr9 n ALA 85 Cb 0.59 -0.75 -0.16 0.00 0.00 0.00 0.00 19.45 19.13 3gr9 n ALA 85 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gr9 s VAL 86 N -1.99 1.87 0.01 0.00 1.01 -1.26 -1.58 120.40 118.46 3gr9 s VAL 86 Ca 0.24 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3gr9 s VAL 86 Cb 0.18 -1.68 0.11 0.00 0.00 0.00 0.00 36.38 34.99 3gr9 s VAL 86 CO 0.35 0.51 1.24 -0.55 0.00 0.00 0.00 175.10 176.65 3gr9 s SER 87 N 1.06 -0.07 0.36 3.32 0.15 -1.26 -5.02 113.70 112.23 3gr9 s SER 87 Ca -0.02 -0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.19 3gr9 s SER 87 Cb -0.14 0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 64.28 3gr9 s SER 87 CO -0.06 -0.38 1.03 0.86 1.20 0.00 0.00 173.24 175.89 3gr9 s TRP 88 N -2.52 3.44 0.36 3.44 -0.11 -1.26 -4.47 118.94 117.82 3gr9 s TRP 88 Ca 0.14 1.69 0.16 0.00 1.22 0.00 0.00 56.10 59.31 3gr9 s TRP 88 Cb 0.04 -3.10 1.06 0.00 -1.50 0.00 0.00 33.47 29.97 3gr9 s TRP 88 CO -0.03 -0.39 1.71 0.66 -4.62 0.00 0.00 176.95 174.28 3gr9 h SER 89 N 2.92 0.52 0.00 5.86 4.64 -2.00 -2.54 113.55 122.95 3gr9 h SER 89 Ca -0.48 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3gr9 h SER 89 Cb 1.21 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3gr9 h SER 89 CO 0.64 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 3gr9 n THR 90 N -4.83 0.00 0.21 2.95 -2.24 -1.26 -1.60 114.28 107.52 3gr9 n THR 90 Ca 0.29 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 3gr9 n THR 90 Cb 0.92 -0.30 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 3gr9 n THR 90 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3gr9 h THR 91 N 0.00 0.00 0.00 4.28 2.02 -1.84 -3.39 112.91 113.98 3gr9 h THR 91 Ca 0.00 -0.97 -0.26 0.00 0.77 0.00 0.00 66.41 65.96 3gr9 h THR 91 Cb 0.00 1.82 -0.05 0.00 -1.74 0.00 0.00 68.15 68.18 3gr9 h THR 91 CO 0.00 0.00 -1.96 -1.22 0.37 0.00 0.00 175.52 172.71 3gr9 n TYR 92 N -2.93 0.00 0.09 3.16 4.01 -0.63 -4.65 117.16 116.22 3gr9 n TYR 92 Ca 0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 3gr9 n TYR 92 Cb 0.53 -0.68 -0.10 0.00 -0.31 0.00 0.00 39.34 38.78 3gr9 n TYR 92 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3gr9 h TYR 93 N 0.00 -1.55 -1.05 -0.72 0.05 -1.75 -1.54 116.97 110.40 3gr9 h TYR 93 Ca -0.38 0.04 0.28 0.00 0.05 0.00 0.00 58.73 58.73 3gr9 h TYR 93 Cb 1.75 0.67 -0.07 0.00 1.01 0.00 0.00 36.73 40.09 3gr9 h TYR 93 CO 0.01 -0.59 0.71 -1.00 -1.05 0.00 0.00 178.16 176.24 3gr9 h PRO 94 N -0.73 0.23 -0.48 4.88 0.14 -1.85 3.23 132.00 137.42 3gr9 h PRO 94 Ca 0.00 -0.01 -0.03 0.00 0.14 0.00 0.00 66.00 66.10 3gr9 h PRO 94 Cb 0.75 -0.05 -0.02 0.00 0.14 0.00 0.00 31.00 31.82 3gr9 h PRO 94 CO -0.31 0.15 0.19 -0.07 0.14 0.00 0.00 178.00 178.10 3gr9 h LEU 95 N 0.24 0.62 0.08 1.56 3.38 -1.55 -0.58 115.31 119.06 3gr9 h LEU 95 Ca 0.56 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 58.20 3gr9 h LEU 95 Cb 1.71 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 42.33 3gr9 h LEU 95 CO -0.18 0.57 -1.04 -0.61 0.09 0.00 0.00 178.44 177.28 3gr9 h GLN 96 N 0.68 0.55 0.00 1.13 -0.00 0.59 -2.17 115.11 115.90 3gr9 h GLN 96 Ca 0.17 -0.71 -0.04 0.00 -0.00 0.00 0.00 58.65 58.06 3gr9 h GLN 96 Cb 0.14 0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 3gr9 h GLN 96 CO -0.02 1.30 -0.21 1.96 0.00 0.00 0.00 178.83 181.87 3gr9 h GLN 97 N 0.13 0.00 -0.72 1.69 4.20 0.27 -2.66 115.11 118.02 3gr9 h GLN 97 Ca -0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3gr9 h GLN 97 Cb 1.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.51 3gr9 h GLN 97 CO 0.20 0.21 0.00 0.66 -0.67 0.00 0.00 178.83 179.23 3gr9 n TYR 98 N -4.12 1.26 -1.45 2.96 4.02 -0.27 -4.92 117.16 114.65 3gr9 n TYR 98 Ca -0.02 -0.44 -0.16 0.00 -0.01 0.00 0.00 57.90 57.27 3gr9 n TYR 98 Cb 0.28 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.20 3gr9 n TYR 98 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gr9 n GLY 99 N 0.45 1.55 3.83 2.72 0.00 -1.00 -4.46 105.19 108.27 3gr9 n GLY 99 Ca 0.17 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3gr9 n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gr9 s LEU 100 N -3.56 3.39 -0.31 0.99 1.02 -0.82 -0.12 118.68 119.27 3gr9 s LEU 100 Ca 0.00 1.62 -0.15 0.00 0.02 0.00 0.00 54.13 55.62 3gr9 s LEU 100 Cb 0.00 -4.50 -0.02 0.00 0.02 0.00 0.00 46.19 41.68 3gr9 s LEU 100 CO 0.00 -1.02 0.36 -0.60 0.02 0.00 0.00 176.35 175.10 3gr9 s ARG 101 N -4.54 3.75 -0.17 1.70 6.06 0.29 -4.57 118.95 121.47 3gr9 s ARG 101 Ca 0.59 -0.24 -0.11 0.00 -2.50 0.00 0.00 55.73 53.47 3gr9 s ARG 101 Cb -0.13 -3.74 -0.05 0.00 0.06 0.00 0.00 34.95 31.09 3gr9 s ARG 101 CO 0.43 -0.41 0.18 0.08 -2.50 0.00 0.00 175.30 173.08 3gr9 s VAL 102 N 2.03 5.39 -0.25 7.11 1.01 -0.26 -0.67 120.40 134.75 3gr9 s VAL 102 Ca 0.13 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.43 3gr9 s VAL 102 Cb -0.16 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3gr9 s VAL 102 CO 0.11 0.45 -0.12 -0.75 0.00 0.00 0.00 175.10 174.79 3gr9 s LYS 103 N 0.18 2.37 0.35 2.72 2.20 -0.11 -0.65 119.74 126.79 3gr9 s LYS 103 Ca 0.11 -1.26 -0.24 0.00 -0.36 0.00 0.00 55.97 54.22 3gr9 s LYS 103 Cb -0.12 -2.85 -0.10 0.00 -1.51 0.00 0.00 37.83 33.25 3gr9 s LYS 103 CO 0.01 -0.51 0.94 -0.06 -0.36 0.00 0.00 175.35 175.36 3gr9 s PHE 104 N 1.13 3.58 -0.03 4.03 0.40 -0.41 -2.12 117.98 124.56 3gr9 s PHE 104 Ca -0.07 1.72 0.01 0.00 -0.60 0.00 0.00 56.93 57.99 3gr9 s PHE 104 Cb -0.19 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.47 3gr9 s PHE 104 CO -0.06 0.12 -0.05 0.08 0.70 0.00 0.00 175.22 176.01 3gr9 s VAL 105 N -1.78 0.53 0.43 -0.44 1.01 -0.07 -1.95 120.40 118.13 3gr9 s VAL 105 Ca 0.53 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.09 3gr9 s VAL 105 Cb -0.16 -0.52 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 3gr9 s VAL 105 CO 0.20 0.20 1.41 -0.67 0.00 0.00 0.00 175.10 176.24 3gr9 n ASP 106 N 3.71 3.23 -3.83 3.32 -0.08 -1.26 -1.83 116.55 119.81 3gr9 n ASP 106 Ca -0.22 1.13 -0.30 0.00 -1.51 0.00 0.00 54.79 53.89 3gr9 n ASP 106 Cb 0.53 -1.58 0.22 0.00 2.34 0.00 0.00 41.12 42.63 3gr9 n ASP 106 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3gr9 n ILE 107 N -0.11 0.00 -3.76 5.18 -5.35 -1.26 0.65 119.36 114.71 3gr9 n ILE 107 Ca 0.05 -0.85 -0.35 0.00 -0.27 0.00 0.00 62.75 61.33 3gr9 n ILE 107 Cb 0.41 -1.42 -0.08 0.00 -1.74 0.00 0.00 39.64 36.80 3gr9 n ILE 107 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3gr9 s ASP 108 N -5.53 6.17 0.30 7.28 -1.08 0.33 -3.75 116.67 120.39 3gr9 s ASP 108 Ca 0.76 0.23 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 3gr9 s ASP 108 Cb -0.04 -2.08 1.10 0.00 -1.46 0.00 0.00 42.92 40.44 3gr9 s ASP 108 CO 0.54 0.19 1.68 0.00 0.52 0.00 0.00 175.17 178.11 3gr9 n ILE 109 N 3.42 0.95 -0.09 4.11 0.13 -1.26 -1.12 119.36 125.50 3gr9 n ILE 109 Ca -0.16 0.53 -0.15 0.00 -1.10 0.00 0.00 62.75 61.86 3gr9 n ILE 109 Cb 0.52 -1.51 -0.07 0.00 -0.84 0.00 0.00 39.64 37.74 3gr9 n ILE 109 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 3gr9 n ASN 110 N -2.26 1.85 0.08 9.51 3.02 -1.26 -4.49 115.26 121.71 3gr9 n ASN 110 Ca -0.00 0.50 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 3gr9 n ASN 110 Cb 0.11 -0.92 0.11 0.00 -0.61 0.00 0.00 39.78 38.47 3gr9 n ASN 110 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3gr9 h THR 111 N -1.00 0.00 0.00 3.41 1.35 -1.79 -2.47 112.91 112.41 3gr9 h THR 111 Ca -0.23 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3gr9 h THR 111 Cb 1.01 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3gr9 h THR 111 CO -0.14 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.31 3gr9 n LEU 112 N -2.34 0.00 -4.97 3.87 4.77 -0.27 -4.72 117.00 113.33 3gr9 n LEU 112 Ca 0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.74 3gr9 n LEU 112 Cb 0.48 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.72 3gr9 n LEU 112 CO 0.38 0.00 0.69 0.20 -1.33 0.00 0.00 177.39 177.33 3gr9 s ASN 113 N -3.77 3.77 0.03 -1.43 0.01 -1.26 -4.47 114.94 107.83 3gr9 s ASN 113 Ca 0.00 -0.15 -0.36 0.00 -0.71 0.00 0.00 52.86 51.64 3gr9 s ASN 113 Cb 0.00 -0.06 -0.16 0.00 0.41 0.00 0.00 41.25 41.44 3gr9 s ASN 113 CO 0.00 -2.27 1.49 0.00 -1.51 0.00 0.00 177.10 174.81 3gr9 n ILE 114 N -3.24 0.09 -1.77 0.60 3.06 -1.26 0.12 119.36 116.95 3gr9 n ILE 114 Ca 0.16 -0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 59.97 3gr9 n ILE 114 Cb 0.60 -1.10 -0.03 0.00 0.54 0.00 0.00 39.64 39.65 3gr9 n ILE 114 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3gr9 s ASP 115 N 1.29 6.49 0.16 9.51 2.15 0.21 -4.47 116.67 132.00 3gr9 s ASP 115 Ca 0.86 2.63 -0.10 0.00 0.43 0.00 0.00 52.55 56.37 3gr9 s ASP 115 Cb -0.90 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.17 3gr9 s ASP 115 CO 0.48 -0.99 1.54 0.40 -0.17 0.00 0.00 175.17 176.43 3gr9 h ILE 116 N 5.05 1.27 -0.39 4.11 1.08 -1.90 -2.23 117.51 124.50 3gr9 h ILE 116 Ca -0.46 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 62.60 3gr9 h ILE 116 Cb 1.22 1.15 -0.02 0.00 -3.07 0.00 0.00 36.82 36.10 3gr9 h ILE 116 CO 0.94 0.48 0.14 -0.33 -0.69 0.00 0.00 178.15 178.69 3gr9 h GLU 117 N 0.84 0.56 0.23 2.37 4.39 -1.98 -1.45 114.58 119.54 3gr9 h GLU 117 Ca 0.11 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3gr9 h GLU 117 Cb 0.81 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3gr9 h GLU 117 CO 0.07 0.48 -0.11 0.77 -1.16 0.00 0.00 179.01 179.05 3gr9 h SER 118 N 0.56 -0.27 -0.82 1.42 0.02 -1.90 -3.19 113.55 109.37 3gr9 h SER 118 Ca 0.14 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3gr9 h SER 118 Cb 0.14 0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.65 3gr9 h SER 118 CO -0.01 0.17 -0.49 -0.11 -1.14 0.00 0.00 176.83 175.25 3gr9 n LEU 119 N -5.04 -0.87 -0.26 5.07 7.94 -0.85 0.22 117.00 123.20 3gr9 n LEU 119 Ca -0.09 1.58 -0.01 0.00 -1.11 0.00 0.00 56.01 56.38 3gr9 n LEU 119 Cb 0.26 -0.24 0.03 0.00 0.53 0.00 0.00 43.42 44.00 3gr9 n LEU 119 CO 0.29 -1.25 0.40 0.29 -1.11 0.00 0.00 177.39 176.00 3gr9 n LYS 120 N -4.91 -0.16 -0.04 1.96 5.02 -0.58 -0.10 118.16 119.35 3gr9 n LYS 120 Ca 0.02 1.04 -0.15 0.00 -2.02 0.00 0.00 58.31 57.19 3gr9 n LYS 120 Cb 0.21 -1.54 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 3gr9 n LYS 120 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3gr9 h GLU 121 N 0.00 0.49 0.00 1.97 4.57 -0.71 -3.30 114.58 117.60 3gr9 h GLU 121 Ca 0.24 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3gr9 h GLU 121 Cb 0.41 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3gr9 h GLU 121 CO -0.67 1.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.16 3gr9 h ALA 122 N 0.49 1.00 -2.77 2.92 0.00 0.33 -3.42 119.26 117.80 3gr9 h ALA 122 Ca -0.02 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.39 3gr9 h ALA 122 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3gr9 h ALA 122 CO 0.09 0.00 0.44 0.08 0.00 0.00 0.00 179.25 179.86 3gr9 s VAL 123 N -3.54 3.68 0.26 0.00 1.01 0.60 -4.94 120.40 117.47 3gr9 s VAL 123 Ca 0.03 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 3gr9 s VAL 123 Cb 0.08 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3gr9 s VAL 123 CO 0.57 0.38 0.30 -0.89 0.00 0.00 0.00 175.10 175.46 3gr9 s THR 124 N -1.05 0.00 0.66 3.92 2.01 -1.26 -4.99 115.64 114.92 3gr9 s THR 124 Ca 0.44 -1.78 0.43 0.00 0.31 0.00 0.00 61.69 61.09 3gr9 s THR 124 Cb -0.30 -2.46 0.43 0.00 0.01 0.00 0.00 72.50 70.19 3gr9 s THR 124 CO 0.38 0.00 2.35 0.44 -0.69 0.00 0.00 174.62 177.10 3gr9 h ASP 125 N 2.37 0.00 0.60 3.53 5.19 -2.00 -1.07 116.42 125.04 3gr9 h ASP 125 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 3gr9 h ASP 125 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 3gr9 h ASP 125 CO 0.44 0.00 -1.25 -1.20 -3.12 0.00 0.00 179.24 174.10 3gr9 n SER 126 N -3.17 0.57 -4.67 6.45 7.64 -1.26 -4.93 113.62 114.25 3gr9 n SER 126 Ca -0.03 0.11 -0.46 0.00 1.01 0.00 0.00 58.87 59.50 3gr9 n SER 126 Cb 0.08 0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 64.16 3gr9 n SER 126 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3gr9 n THR 127 N -2.38 0.65 -0.06 0.44 -1.04 -0.41 -4.17 114.28 107.31 3gr9 n THR 127 Ca -0.00 -0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.83 3gr9 n THR 127 Cb 0.52 -2.04 -0.10 0.00 -1.82 0.00 0.00 70.33 66.90 3gr9 n THR 127 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3gr9 n LYS 128 N 7.00 1.76 -3.64 -2.82 4.76 -0.03 -4.84 118.16 120.36 3gr9 n LYS 128 Ca 0.22 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.53 3gr9 n LYS 128 Cb 0.33 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 3gr9 n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gr9 s ALA 129 N -2.37 -0.98 -0.10 7.82 0.00 -1.06 -0.64 121.76 124.42 3gr9 s ALA 129 Ca -0.06 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.00 3gr9 s ALA 129 Cb 0.04 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.75 3gr9 s ALA 129 CO 0.53 -0.58 -0.07 0.42 0.00 0.00 0.00 175.76 176.06 3gr9 s ILE 130 N -3.31 0.98 -0.54 0.00 1.01 0.18 -0.97 121.20 118.56 3gr9 s ILE 130 Ca -0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3gr9 s ILE 130 Cb 0.01 -1.00 0.11 0.00 0.01 0.00 0.00 42.46 41.59 3gr9 s ILE 130 CO -0.08 0.36 0.55 -0.22 0.00 0.00 0.00 174.94 175.54 3gr9 s LEU 131 N 1.61 5.79 0.30 2.97 2.96 0.13 0.09 118.68 132.53 3gr9 s LEU 131 Ca 0.03 -1.55 -0.14 0.00 -0.22 0.00 0.00 54.13 52.24 3gr9 s LEU 131 Cb -0.13 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.23 3gr9 s LEU 131 CO -0.07 -0.90 0.70 0.42 -1.32 0.00 0.00 176.35 175.18 3gr9 s THR 132 N 1.98 4.73 -0.12 3.68 -4.23 0.55 -4.26 115.64 117.97 3gr9 s THR 132 Ca 0.06 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.42 3gr9 s THR 132 Cb -0.27 -3.61 0.03 0.00 1.34 0.00 0.00 72.50 69.99 3gr9 s THR 132 CO 0.05 -0.16 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.22 3gr9 s VAL 133 N -1.94 0.95 -0.58 2.29 1.01 -1.26 -0.67 120.40 120.20 3gr9 s VAL 133 Ca 0.53 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 3gr9 s VAL 133 Cb -0.10 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.29 3gr9 s VAL 133 CO 0.18 0.31 1.07 0.20 0.00 0.00 0.00 175.10 176.85 3gr9 s ASN 134 N 1.73 6.37 0.14 3.32 0.01 -1.19 -4.71 114.94 120.61 3gr9 s ASN 134 Ca 0.04 -0.18 -0.27 0.00 -0.71 0.00 0.00 52.86 51.74 3gr9 s ASN 134 Cb -0.13 -2.49 -0.07 0.00 0.41 0.00 0.00 41.25 38.97 3gr9 s ASN 134 CO -0.08 -1.37 0.85 -0.22 -1.51 0.00 0.00 177.10 174.77 3gr9 s LEU 135 N 4.47 4.55 -1.79 0.60 2.96 -0.86 -4.20 118.68 124.41 3gr9 s LEU 135 Ca 0.36 1.69 -0.23 0.00 -0.22 0.00 0.00 54.13 55.73 3gr9 s LEU 135 Cb -0.10 -3.41 0.23 0.00 0.50 0.00 0.00 46.19 43.40 3gr9 s LEU 135 CO 0.21 0.09 0.57 0.18 -1.32 0.00 0.00 176.35 176.08 3gr9 n LEU 136 N 2.13 -0.78 0.00 -0.68 4.77 -1.26 0.15 117.00 121.33 3gr9 n LEU 136 Ca -0.02 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 3gr9 n LEU 136 Cb 0.49 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3gr9 n LEU 136 CO 0.48 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3gr9 n GLY 137 N -1.03 0.75 3.65 -0.72 0.00 -1.07 -1.41 105.19 105.37 3gr9 n GLY 137 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3gr9 n GLY 137 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 138 N -2.54 6.09 0.52 1.61 2.47 0.41 -0.48 114.94 123.01 3gr9 s ASN 138 Ca 0.00 0.10 -0.19 0.00 0.42 0.00 0.00 52.86 53.19 3gr9 s ASN 138 Cb 0.00 -2.10 -0.07 0.00 -1.45 0.00 0.00 41.25 37.63 3gr9 s ASN 138 CO 0.00 0.06 1.05 -2.84 -3.72 0.00 0.00 177.10 171.65 3gr9 s PRO 139 N 1.10 3.66 0.28 0.43 0.02 -1.26 -2.03 135.00 137.20 3gr9 s PRO 139 Ca 0.07 1.33 -0.20 0.00 0.02 0.00 0.00 61.00 62.23 3gr9 s PRO 139 Cb -0.14 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3gr9 s PRO 139 CO 0.05 -0.55 0.78 -0.80 -0.33 0.00 0.00 177.00 176.15 3gr9 s ASN 140 N -2.18 7.03 -0.83 2.53 0.01 -1.26 -4.64 114.94 115.60 3gr9 s ASN 140 Ca 0.67 1.48 -0.25 0.00 -0.71 0.00 0.00 52.86 54.04 3gr9 s ASN 140 Cb -0.17 -2.44 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 3gr9 s ASN 140 CO 0.25 -0.06 1.80 0.21 -1.51 0.00 0.00 177.10 177.78 3gr9 s ASN 141 N -1.82 5.45 0.30 -1.22 3.84 -1.26 -4.77 114.94 115.46 3gr9 s ASN 141 Ca 0.48 -0.51 0.25 0.00 0.21 0.00 0.00 52.86 53.29 3gr9 s ASN 141 Cb -0.15 -2.55 1.07 0.00 -0.55 0.00 0.00 41.25 39.06 3gr9 s ASN 141 CO 0.20 -2.40 1.75 -0.26 -2.79 0.00 0.00 177.10 173.60 3gr9 h PHE 142 N 11.94 0.00 0.14 0.43 0.04 -2.00 -2.32 116.94 125.18 3gr9 h PHE 142 Ca -0.01 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.46 3gr9 h PHE 142 Cb 1.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 3gr9 h PHE 142 CO 1.17 0.00 -1.40 -0.44 -0.60 0.00 0.00 178.31 177.05 3gr9 h ASP 143 N 0.00 0.47 -0.49 2.17 5.19 -2.00 -2.56 116.42 119.21 3gr9 h ASP 143 Ca 0.00 -0.56 -0.10 0.00 -0.62 0.00 0.00 57.03 55.74 3gr9 h ASP 143 Cb 0.34 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 3gr9 h ASP 143 CO 0.00 1.45 -0.10 -0.08 -3.12 0.00 0.00 179.24 177.39 3gr9 h GLU 144 N 0.08 0.94 0.40 3.56 4.57 -1.83 -2.78 114.58 119.52 3gr9 h GLU 144 Ca -0.20 -0.35 -0.02 0.00 -1.18 0.00 0.00 59.36 57.61 3gr9 h GLU 144 Cb 2.02 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.56 3gr9 h GLU 144 CO 0.20 1.01 -0.19 0.82 -1.18 0.00 0.00 179.01 179.66 3gr9 h ILE 145 N 0.79 0.61 -0.32 2.32 1.08 -1.50 -2.01 117.51 118.48 3gr9 h ILE 145 Ca 0.13 -0.12 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 3gr9 h ILE 145 Cb 0.65 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3gr9 h ILE 145 CO 0.04 0.02 0.23 0.78 -0.69 0.00 0.00 178.15 178.54 3gr9 h ASN 146 N -0.61 0.00 -0.10 1.72 2.35 -1.44 0.54 115.58 118.04 3gr9 h ASN 146 Ca -0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3gr9 h ASN 146 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 3gr9 h ASN 146 CO 0.09 0.00 -0.09 0.11 -1.65 0.00 0.00 177.43 175.89 3gr9 h LYS 147 N 0.00 0.24 -0.93 0.81 1.57 -1.20 0.12 116.57 117.19 3gr9 h LYS 147 Ca 0.15 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3gr9 h LYS 147 Cb 0.61 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 3gr9 h LYS 147 CO -0.00 0.65 0.60 0.82 -0.57 0.00 0.00 179.45 180.95 3gr9 h ILE 148 N -0.15 1.11 -0.02 1.86 2.04 0.69 -0.20 117.51 122.85 3gr9 h ILE 148 Ca 0.02 -0.38 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 3gr9 h ILE 148 Cb 0.60 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3gr9 h ILE 148 CO 0.02 0.20 -0.59 0.40 0.00 0.00 0.00 178.15 178.18 3gr9 h ILE 149 N 1.11 1.41 -3.22 -0.67 5.03 -0.63 -3.47 117.51 117.07 3gr9 h ILE 149 Ca 0.38 -2.01 -0.17 0.00 -0.12 0.00 0.00 64.86 62.94 3gr9 h ILE 149 Cb 0.10 2.07 -0.03 0.00 -3.03 0.00 0.00 36.82 35.93 3gr9 h ILE 149 CO -0.13 0.58 -0.19 0.61 -0.68 0.00 0.00 178.15 178.33 3gr9 n GLY 150 N 0.19 -0.01 0.98 5.37 0.00 0.42 -0.77 105.19 111.36 3gr9 n GLY 150 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3gr9 n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gr9 n GLY 151 N -0.50 0.74 3.86 -0.02 0.00 -1.26 -5.05 105.19 102.96 3gr9 n GLY 151 Ca -0.09 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 3gr9 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gr9 s ARG 152 N -0.63 3.88 -1.15 1.61 0.52 0.05 -4.98 118.95 118.26 3gr9 s ARG 152 Ca 0.00 0.40 -0.21 0.00 -0.52 0.00 0.00 55.73 55.40 3gr9 s ARG 152 Cb 0.00 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.85 3gr9 s ARG 152 CO 0.00 0.30 1.75 0.34 0.02 0.00 0.00 175.30 177.70 3gr9 s ASP 153 N -2.25 6.08 -0.07 0.23 2.15 -1.26 -4.83 116.67 116.71 3gr9 s ASP 153 Ca 0.48 -1.76 -0.00 0.00 0.43 0.00 0.00 52.55 51.69 3gr9 s ASP 153 Cb -0.11 -2.58 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 3gr9 s ASP 153 CO 0.20 -1.94 -0.03 -0.63 -0.17 0.00 0.00 175.17 172.60 3gr9 s ILE 154 N 6.89 0.56 0.16 4.11 1.01 -1.26 -4.90 121.20 127.75 3gr9 s ILE 154 Ca 0.58 -0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3gr9 s ILE 154 Cb 0.00 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.76 3gr9 s ILE 154 CO 0.04 0.27 1.06 -0.63 0.00 0.00 0.00 174.94 175.67 3gr9 s ILE 155 N 1.60 4.07 -0.05 2.92 1.01 0.18 -4.89 121.20 126.04 3gr9 s ILE 155 Ca 0.00 1.76 0.02 0.00 0.00 0.00 0.00 60.65 62.43 3gr9 s ILE 155 Cb -0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3gr9 s ILE 155 CO -0.04 0.29 -0.08 -0.22 0.00 0.00 0.00 174.94 174.89 3gr9 s LEU 156 N -0.25 3.08 0.08 2.97 2.96 -1.26 0.49 118.68 126.74 3gr9 s LEU 156 Ca 0.49 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3gr9 s LEU 156 Cb -0.27 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3gr9 s LEU 156 CO 0.33 0.34 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.88 3gr9 s LEU 157 N -0.91 2.45 0.01 -0.68 1.43 0.11 -1.40 118.68 119.69 3gr9 s LEU 157 Ca 0.13 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 3gr9 s LEU 157 Cb -0.11 -0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 3gr9 s LEU 157 CO 0.02 -0.42 -0.14 -1.61 0.23 0.00 0.00 176.35 174.44 3gr9 s GLU 158 N -3.32 1.01 -0.46 1.70 2.02 -0.89 -0.33 118.70 118.42 3gr9 s GLU 158 Ca 0.06 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 3gr9 s GLU 158 Cb 0.02 -0.99 0.12 0.00 0.10 0.00 0.00 34.13 33.38 3gr9 s GLU 158 CO -0.04 0.26 0.29 0.34 0.02 0.00 0.00 175.26 176.13 3gr9 s ASP 159 N -0.68 5.41 -0.35 -0.19 -1.08 0.16 -2.26 116.67 117.68 3gr9 s ASP 159 Ca 0.03 -2.12 0.09 0.00 -0.52 0.00 0.00 52.55 50.03 3gr9 s ASP 159 Cb -0.06 -1.89 0.72 0.00 -1.46 0.00 0.00 42.92 40.22 3gr9 s ASP 159 CO 0.00 -0.57 1.81 -3.20 0.52 0.00 0.00 175.17 173.74 3gr9 n ASN 160 N 4.53 4.50 0.00 -0.34 5.15 -0.56 -3.17 115.26 125.37 3gr9 n ASN 160 Ca -0.02 -3.33 0.00 0.00 -0.60 0.00 0.00 54.58 50.63 3gr9 n ASN 160 Cb 0.41 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.90 3gr9 n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gr9 n GLU 162 N -1.40 1.26 -2.33 0.00 1.02 -1.26 -4.41 120.64 113.51 3gr9 n GLU 162 Ca 0.00 -0.23 -0.19 0.00 -0.02 0.00 0.00 57.16 56.72 3gr9 n GLU 162 Cb 0.01 -0.68 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 3gr9 n GLU 162 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3gr9 n SER 163 N -0.24 3.96 -4.73 1.62 7.64 -0.95 -2.61 113.62 118.31 3gr9 n SER 163 Ca 0.00 -3.34 -0.42 0.00 1.01 0.00 0.00 58.87 56.13 3gr9 n SER 163 Cb 0.05 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 3gr9 n SER 163 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 3gr9 s MET 164 N -3.58 4.19 0.00 1.43 1.75 -1.23 -2.12 119.30 119.74 3gr9 s MET 164 Ca 0.44 2.43 0.00 0.00 -1.25 0.00 0.00 55.69 57.31 3gr9 s MET 164 Cb 0.40 -3.10 0.00 0.00 2.84 0.00 0.00 34.83 34.96 3gr9 s MET 164 CO -0.03 -0.60 0.00 0.41 -0.65 0.00 0.00 175.02 174.16 3gr9 n GLY 165 N 3.13 1.11 3.81 2.11 0.00 -1.26 -4.75 105.19 109.33 3gr9 n GLY 165 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 3gr9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gr9 s ALA 166 N -3.39 2.84 -0.13 4.61 0.00 -0.90 -4.70 121.76 120.09 3gr9 s ALA 166 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 3gr9 s ALA 166 Cb 0.00 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3gr9 s ALA 166 CO 0.00 -0.60 0.03 0.99 0.00 0.00 0.00 175.76 176.19 3gr9 s THR 167 N -2.41 0.31 -0.21 0.00 2.01 -0.76 -1.83 115.64 112.73 3gr9 s THR 167 Ca 0.63 -0.12 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 3gr9 s THR 167 Cb -0.15 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3gr9 s THR 167 CO 0.33 0.01 0.13 0.12 -0.69 0.00 0.00 174.62 174.52 3gr9 s PHE 168 N 1.98 3.35 -0.63 4.92 5.36 0.18 -2.16 117.98 130.99 3gr9 s PHE 168 Ca 0.03 0.25 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 3gr9 s PHE 168 Cb -0.14 -2.19 0.01 0.00 -0.34 0.00 0.00 43.02 40.35 3gr9 s PHE 168 CO -0.07 0.18 0.51 0.09 -1.46 0.00 0.00 175.22 174.47 3gr9 n ASN 169 N 3.85 -4.12 -2.63 6.13 3.02 -1.26 -0.24 115.26 120.00 3gr9 n ASN 169 Ca -0.16 -0.68 -0.03 0.00 -0.03 0.00 0.00 54.58 53.68 3gr9 n ASN 169 Cb 0.52 -1.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 3gr9 n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gr9 n ASN 170 N -1.67 -1.20 -4.08 6.41 5.03 -1.26 -4.89 115.26 113.60 3gr9 n ASN 170 Ca -0.23 0.37 -0.16 0.00 0.87 0.00 0.00 54.58 55.42 3gr9 n ASN 170 Cb 0.58 -1.15 -0.13 0.00 -1.02 0.00 0.00 39.78 38.06 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3gr9 s LYS 171 N -5.15 0.66 0.08 3.52 2.20 0.67 -5.12 119.74 116.61 3gr9 s LYS 171 Ca 0.06 -0.66 -0.27 0.00 -0.36 0.00 0.00 55.97 54.73 3gr9 s LYS 171 Cb -0.03 -0.57 -0.06 0.00 -1.51 0.00 0.00 37.83 35.66 3gr9 s LYS 171 CO 0.07 0.13 0.85 0.00 -0.36 0.00 0.00 175.35 176.05 3gr9 n ALA 173 N 2.70 -2.92 -0.63 0.00 0.00 -0.76 -1.38 120.51 117.52 3gr9 n ALA 173 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3gr9 n ALA 173 Cb 0.50 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3gr9 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 174 N 2.12 0.48 0.08 0.00 0.00 -1.26 -4.69 105.19 101.91 3gr9 n GLY 174 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.14 3gr9 n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gr9 n THR 175 N -2.00 0.00 -0.06 2.61 -2.24 -0.48 -3.55 114.28 108.56 3gr9 n THR 175 Ca 0.00 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.42 3gr9 n THR 175 Cb 0.00 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.20 3gr9 n THR 175 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3gr9 h PHE 176 N 0.38 0.48 -4.50 4.78 -1.00 -1.84 -3.47 116.94 111.76 3gr9 h PHE 176 Ca 0.00 -0.14 -0.47 0.00 2.81 0.00 0.00 57.97 60.16 3gr9 h PHE 176 Cb 0.35 -0.10 0.10 0.00 3.61 0.00 0.00 35.95 39.91 3gr9 h PHE 176 CO 0.00 0.77 0.39 0.20 -1.61 0.00 0.00 178.31 178.06 3gr9 s GLY 177 N -3.44 1.60 0.30 -1.45 0.00 -1.26 -4.94 107.32 98.12 3gr9 s GLY 177 Ca -0.14 -0.53 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3gr9 s GLY 177 CO 0.76 -0.06 1.85 -2.00 0.00 0.00 0.00 173.10 173.65 3gr9 h LEU 178 N -1.04 0.86 -8.18 0.66 5.85 -1.58 -3.41 115.31 108.47 3gr9 h LEU 178 Ca -0.47 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.16 3gr9 h LEU 178 Cb 1.31 -0.13 -0.17 0.00 0.37 0.00 0.00 40.66 42.05 3gr9 h LEU 178 CO 0.64 0.45 -0.69 -0.04 -0.34 0.00 0.00 178.44 178.47 3gr9 s MET 179 N -5.89 0.55 0.06 1.25 -1.94 -1.26 -4.35 119.30 107.72 3gr9 s MET 179 Ca -0.11 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 3gr9 s MET 179 Cb 0.22 0.16 -0.04 0.00 2.01 0.00 0.00 34.83 37.19 3gr9 s MET 179 CO 0.80 -0.09 -0.05 0.20 -0.01 0.00 0.00 175.02 175.88 3gr9 s GLY 180 N -2.55 0.54 -0.02 -0.03 0.00 -0.84 -2.10 107.32 102.32 3gr9 s GLY 180 Ca 0.01 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.63 3gr9 s GLY 180 CO -0.07 -1.24 -0.10 -0.51 0.00 0.00 0.00 173.10 171.18 3gr9 s THR 181 N -3.27 0.85 0.07 0.90 -4.23 -0.96 -1.24 115.64 107.76 3gr9 s THR 181 Ca 0.04 -0.43 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 3gr9 s THR 181 Cb 0.03 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 3gr9 s THR 181 CO -0.06 0.25 -0.25 -0.36 -0.54 0.00 0.00 174.62 173.66 3gr9 s PHE 182 N -0.04 2.36 -0.15 3.99 0.40 0.35 -1.49 117.98 123.40 3gr9 s PHE 182 Ca 0.01 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3gr9 s PHE 182 Cb -0.06 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 3gr9 s PHE 182 CO 0.00 0.20 -0.15 0.45 0.70 0.00 0.00 175.22 176.43 3gr9 s SER 183 N -1.50 3.74 -0.64 1.36 0.15 -1.26 0.11 113.70 115.66 3gr9 s SER 183 Ca 0.13 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.37 3gr9 s SER 183 Cb -0.10 -1.57 0.37 0.00 -1.71 0.00 0.00 66.02 63.00 3gr9 s SER 183 CO 0.04 0.11 1.30 -1.54 1.20 0.00 0.00 173.24 174.34 3gr9 n SER 184 N 3.91 5.46 -4.95 5.45 3.41 0.06 -4.73 113.62 122.24 3gr9 n SER 184 Ca -0.19 -3.72 -0.23 0.00 -0.26 0.00 0.00 58.87 54.46 3gr9 n SER 184 Cb 0.52 -0.69 0.01 0.00 -0.26 0.00 0.00 64.21 63.78 3gr9 n SER 184 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gr9 s PHE 185 N -3.72 3.29 0.03 7.33 5.36 -1.25 -0.97 117.98 128.05 3gr9 s PHE 185 Ca 0.48 0.30 -0.06 0.00 -0.96 0.00 0.00 56.93 56.69 3gr9 s PHE 185 Cb 0.33 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 3gr9 s PHE 185 CO -0.20 -0.28 1.09 0.98 -1.46 0.00 0.00 175.22 175.36 3gr9 n TYR 186 N -2.05 -0.08 -1.30 10.12 9.36 -1.26 -4.19 117.16 127.76 3gr9 n TYR 186 Ca 0.00 0.23 -0.35 0.00 3.32 0.00 0.00 57.90 61.11 3gr9 n TYR 186 Cb 0.57 -0.51 -0.05 0.00 -0.63 0.00 0.00 39.34 38.72 3gr9 n TYR 186 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3gr9 n ASN 187 N -3.41 8.15 -0.06 2.98 0.23 -1.26 -4.68 115.26 117.21 3gr9 n ASN 187 Ca 0.00 -2.60 -0.13 0.00 -0.53 0.00 0.00 54.58 51.33 3gr9 n ASN 187 Cb 0.05 -1.52 -0.12 0.00 -2.08 0.00 0.00 39.78 36.11 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -0.93 0.00 0.00 177.26 176.78 3gr9 h HIS 189 N 4.63 -0.01 -2.35 -2.53 3.86 -1.85 -3.49 115.15 113.41 3gr9 h HIS 189 Ca 0.75 -0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 59.35 3gr9 h HIS 189 Cb 0.49 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.82 3gr9 h HIS 189 CO 1.85 0.85 -0.75 0.96 0.86 0.00 0.00 177.93 181.70 3gr9 s ILE 190 N -2.50 2.63 -0.01 2.45 -4.36 -1.26 -5.03 121.20 113.11 3gr9 s ILE 190 Ca -0.17 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 57.95 3gr9 s ILE 190 Cb -0.02 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.33 3gr9 s ILE 190 CO 0.64 -0.35 0.00 0.00 0.24 0.00 0.00 174.94 175.47 3gr9 s ALA 191 N -2.36 0.11 -0.10 2.27 0.00 -1.26 -3.78 121.76 116.64 3gr9 s ALA 191 Ca 0.29 0.07 0.13 0.00 0.00 0.00 0.00 51.96 52.45 3gr9 s ALA 191 Cb -0.06 -0.11 0.25 0.00 0.00 0.00 0.00 23.12 23.20 3gr9 s ALA 191 CO 0.15 -0.02 1.12 0.25 0.00 0.00 0.00 175.76 177.26 3gr9 n THR 192 N 3.45 1.25 0.00 0.00 -2.24 -0.15 -4.75 114.28 111.84 3gr9 n THR 192 Ca -0.18 -1.71 0.00 0.00 -2.27 0.00 0.00 64.05 59.90 3gr9 n THR 192 Cb 0.56 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3gr9 n THR 192 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gr9 n MET 193 N -0.81 0.00 -3.64 -0.78 2.81 -1.25 -4.39 117.12 109.06 3gr9 n MET 193 Ca 0.11 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.91 3gr9 n MET 193 Cb 0.72 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.16 3gr9 n MET 193 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3gr9 s GLU 194 N 0.00 0.65 -0.21 0.03 0.41 -1.25 -4.15 118.70 114.18 3gr9 s GLU 194 Ca 0.00 0.87 -0.33 0.00 -0.41 0.00 0.00 54.97 55.10 3gr9 s GLU 194 Cb 0.00 0.26 0.15 0.00 -1.78 0.00 0.00 34.13 32.76 3gr9 s GLU 194 CO 0.00 -0.09 1.22 0.20 -0.49 0.00 0.00 175.26 176.10 3gr9 s GLY 195 N 0.68 -0.20 0.00 -1.39 0.00 -1.09 -4.86 107.32 100.47 3gr9 s GLY 195 Ca -0.02 1.95 -0.23 0.00 0.00 0.00 0.00 44.72 46.42 3gr9 s GLY 195 CO -0.07 0.73 0.51 -0.32 0.00 0.00 0.00 173.10 173.95 3gr9 s GLY 196 N -1.77 -0.40 -0.04 0.20 0.00 -0.99 -0.76 107.32 103.56 3gr9 s GLY 196 Ca 0.08 0.73 -0.08 0.00 0.00 0.00 0.00 44.72 45.45 3gr9 s GLY 196 CO -0.05 0.43 0.20 0.00 0.00 0.00 0.00 173.10 173.68 3gr9 s ILE 198 N -0.54 1.95 0.14 0.00 1.01 0.30 0.13 121.20 124.20 3gr9 s ILE 198 Ca -0.06 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.67 3gr9 s ILE 198 Cb -0.04 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3gr9 s ILE 198 CO 0.01 0.54 -0.07 0.68 0.00 0.00 0.00 174.94 176.10 3gr9 s VAL 199 N 0.05 3.41 0.24 2.92 -7.23 -0.37 0.17 120.40 119.57 3gr9 s VAL 199 Ca -0.09 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 3gr9 s VAL 199 Cb -0.15 -2.65 0.04 0.00 0.56 0.00 0.00 36.38 34.18 3gr9 s VAL 199 CO 0.05 -0.00 0.66 0.28 -0.31 0.00 0.00 175.10 175.78 3gr9 s THR 200 N -1.48 0.00 -0.01 5.32 -1.32 -0.34 -1.99 115.64 115.81 3gr9 s THR 200 Ca 0.24 -0.69 0.09 0.00 -1.21 0.00 0.00 61.69 60.12 3gr9 s THR 200 Cb -0.10 -1.67 -0.14 0.00 -1.51 0.00 0.00 72.50 69.08 3gr9 s THR 200 CO 0.15 -0.01 0.20 0.47 -2.21 0.00 0.00 174.62 173.22 3gr9 n ASP 201 N -0.42 2.89 -4.62 8.08 8.00 -1.26 -0.12 116.55 129.10 3gr9 n ASP 201 Ca -0.08 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 3gr9 n ASP 201 Cb 0.61 1.41 -0.02 0.00 -0.02 0.00 0.00 41.12 43.10 3gr9 n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 202 N -3.07 6.75 0.12 -2.24 -1.08 -1.26 -4.79 116.67 111.09 3gr9 s ASP 202 Ca -0.03 0.82 -0.20 0.00 -0.52 0.00 0.00 52.55 52.62 3gr9 s ASP 202 Cb 0.06 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.93 3gr9 s ASP 202 CO 0.38 -1.09 1.74 -0.08 0.52 0.00 0.00 175.17 176.65 3gr9 h GLU 203 N 8.85 0.13 -0.10 4.34 4.81 -1.98 0.85 114.58 131.48 3gr9 h GLU 203 Ca -0.23 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.03 3gr9 h GLU 203 Cb 1.07 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 3gr9 h GLU 203 CO 1.07 0.09 -0.12 1.49 -0.73 0.00 0.00 179.01 180.81 3gr9 h GLU 204 N 0.13 -0.14 -0.57 1.92 4.81 -1.94 -0.11 114.58 118.68 3gr9 h GLU 204 Ca 0.08 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3gr9 h GLU 204 Cb 0.07 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3gr9 h GLU 204 CO -0.10 -0.10 0.29 0.82 -0.73 0.00 0.00 179.01 179.19 3gr9 h ILE 205 N -0.15 0.94 -0.39 2.32 1.08 -1.93 -0.74 117.51 118.63 3gr9 h ILE 205 Ca 0.08 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.44 3gr9 h ILE 205 Cb 0.26 0.34 -0.09 0.00 -3.07 0.00 0.00 36.82 34.26 3gr9 h ILE 205 CO -0.19 0.10 -0.28 0.22 -0.69 0.00 0.00 178.15 177.31 3gr9 h TYR 206 N 0.54 -0.77 -0.61 1.37 3.20 0.85 0.22 116.97 121.78 3gr9 h TYR 206 Ca 0.26 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 3gr9 h TYR 206 Cb 0.18 0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3gr9 h TYR 206 CO -0.10 -0.35 0.04 0.45 -1.64 0.00 0.00 178.16 176.55 3gr9 h HIS 207 N -0.22 1.13 -0.80 -3.82 3.86 -0.80 -1.47 115.15 113.02 3gr9 h HIS 207 Ca 0.18 -0.18 0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3gr9 h HIS 207 Cb 0.51 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.61 3gr9 h HIS 207 CO -0.50 0.98 0.46 0.82 0.86 0.00 0.00 177.93 180.55 3gr9 h ILE 208 N 0.95 0.93 -0.54 2.45 2.04 -0.19 0.25 117.51 123.39 3gr9 h ILE 208 Ca 0.18 -0.27 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 3gr9 h ILE 208 Cb 0.51 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3gr9 h ILE 208 CO 0.02 0.14 -0.05 -0.07 0.00 0.00 0.00 178.15 178.20 3gr9 h LEU 209 N 0.79 0.98 -0.87 1.44 3.38 -0.14 0.11 115.31 121.00 3gr9 h LEU 209 Ca 0.38 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3gr9 h LEU 209 Cb 0.31 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gr9 h LEU 209 CO -0.23 1.07 -0.07 -0.07 0.09 0.00 0.00 178.44 179.23 3gr9 h LEU 210 N 0.86 0.75 -0.08 1.67 3.38 -0.30 0.03 115.31 121.61 3gr9 h LEU 210 Ca 0.15 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3gr9 h LEU 210 Cb 0.60 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3gr9 h LEU 210 CO 0.04 0.86 -0.39 0.00 0.09 0.00 0.00 178.44 179.04 3gr9 n ILE 212 N -4.35 0.59 -0.05 0.00 -5.35 0.34 -1.62 119.36 108.92 3gr9 n ILE 212 Ca -0.08 0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.34 3gr9 n ILE 212 Cb 0.54 -0.80 0.07 0.00 -1.74 0.00 0.00 39.64 37.71 3gr9 n ILE 212 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3gr9 h ARG 213 N 0.00 0.69 -3.04 6.28 2.43 -0.97 -2.35 114.38 117.43 3gr9 h ARG 213 Ca 0.00 -0.35 -0.62 0.00 -0.81 0.00 0.00 59.98 58.20 3gr9 h ARG 213 Cb 0.48 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.62 3gr9 h ARG 213 CO 0.00 0.96 -0.64 0.00 -1.51 0.00 0.00 179.97 178.78 3gr9 s ALA 214 N -4.33 3.36 0.00 2.80 0.00 -1.13 -1.27 121.76 121.19 3gr9 s ALA 214 Ca -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 51.96 48.36 3gr9 s ALA 214 Cb 0.12 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3gr9 s ALA 214 CO 0.84 -2.07 0.00 0.72 0.00 0.00 0.00 175.76 175.25 3gr9 n HIS 215 N 2.34 0.00 -2.32 0.00 8.25 0.53 -2.28 115.22 121.73 3gr9 n HIS 215 Ca 0.18 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.48 3gr9 n HIS 215 Cb 0.36 -1.66 -0.01 0.00 1.12 0.00 0.00 29.99 29.80 3gr9 n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gr9 n GLY 216 N 0.17 -0.28 2.41 -1.41 0.00 -0.64 -4.78 105.19 100.66 3gr9 n GLY 216 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3gr9 n GLY 216 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3gr9 n TRP 217 N -4.02 -2.94 0.73 1.61 2.14 -0.97 -2.50 117.44 111.49 3gr9 n TRP 217 Ca -0.18 -1.16 0.08 0.00 2.07 0.00 0.00 57.50 58.31 3gr9 n TRP 217 Cb 0.64 -0.42 0.02 0.00 -0.81 0.00 0.00 31.31 30.74 3gr9 n TRP 217 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gr9 n THR 218 N -2.14 0.00 -0.05 -1.67 -2.24 -1.25 -4.62 114.28 102.31 3gr9 n THR 218 Ca 0.10 -0.38 0.24 0.00 -2.27 0.00 0.00 64.05 61.74 3gr9 n THR 218 Cb 0.37 1.24 0.72 0.00 -2.10 0.00 0.00 70.33 70.56 3gr9 n THR 218 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gr9 h ARG 219 N 2.28 0.00 -0.28 -0.78 3.08 -1.89 -1.73 114.38 115.06 3gr9 h ARG 219 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gr9 h ARG 219 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3gr9 h ARG 219 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3gr9 n ASN 220 N -4.13 3.98 -4.71 7.04 4.13 -1.26 -4.96 115.26 115.35 3gr9 n ASN 220 Ca 0.13 -2.99 -0.34 0.00 1.68 0.00 0.00 54.58 53.06 3gr9 n ASN 220 Cb 0.77 -0.55 -0.09 0.00 -1.54 0.00 0.00 39.78 38.37 3gr9 n ASN 220 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gr9 s LEU 221 N -2.78 3.65 0.78 3.41 1.43 -0.65 -4.92 118.68 119.59 3gr9 s LEU 221 Ca 0.43 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 3gr9 s LEU 221 Cb 0.34 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.70 3gr9 s LEU 221 CO 0.09 0.35 1.15 -2.84 0.23 0.00 0.00 176.35 175.33 3gr9 s PRO 222 N -1.13 1.96 0.11 1.29 0.02 -1.26 -4.93 135.00 131.06 3gr9 s PRO 222 Ca 0.16 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.46 3gr9 s PRO 222 Cb -0.11 -1.84 -0.07 0.00 0.02 0.00 0.00 34.50 32.50 3gr9 s PRO 222 CO 0.05 -1.92 1.40 -0.22 -0.33 0.00 0.00 177.00 175.98 3gr9 h LYS 223 N -0.85 -0.17 -5.17 5.54 3.11 -1.96 -3.27 116.57 113.80 3gr9 h LYS 223 Ca -0.45 0.01 -0.64 0.00 -2.81 0.00 0.00 60.65 56.76 3gr9 h LYS 223 Cb 1.27 0.04 -0.15 0.00 -1.00 0.00 0.00 32.23 32.39 3gr9 h LYS 223 CO 0.48 -0.12 -0.17 0.21 -2.81 0.00 0.00 179.45 177.05 3gr9 s LYS 224 N -4.92 3.86 0.05 1.90 2.47 -1.24 -0.75 119.74 121.11 3gr9 s LYS 224 Ca -0.10 -0.03 -0.03 0.00 -1.56 0.00 0.00 55.97 54.25 3gr9 s LYS 224 Cb 0.07 -3.71 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 3gr9 s LYS 224 CO 0.46 -0.41 0.02 0.54 0.16 0.00 0.00 175.35 176.11 3gr9 s ASN 225 N 1.67 0.34 0.00 1.43 2.20 0.63 -4.96 114.94 116.25 3gr9 s ASN 225 Ca 0.16 -0.77 0.28 0.00 -0.94 0.00 0.00 52.86 51.59 3gr9 s ASN 225 Cb -0.16 0.20 1.55 0.00 -2.00 0.00 0.00 41.25 40.84 3gr9 s ASN 225 CO 0.11 -0.54 1.99 0.29 -2.94 0.00 0.00 177.10 176.01 3gr9 n LYS 226 N 0.51 0.67 -0.13 3.55 4.76 -1.26 0.45 118.16 126.70 3gr9 n LYS 226 Ca -0.17 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.02 3gr9 n LYS 226 Cb 0.60 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.19 3gr9 n LYS 226 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gr9 n VAL 227 N -1.13 1.53 -0.05 -0.18 0.31 -1.26 -4.70 118.33 112.85 3gr9 n VAL 227 Ca 0.18 -0.29 0.02 0.00 -0.01 0.00 0.00 64.34 64.23 3gr9 n VAL 227 Cb 0.15 -1.96 -0.16 0.00 -0.91 0.00 0.00 33.84 30.96 3gr9 n VAL 227 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 228 N -4.29 0.60 0.00 2.52 -2.24 -1.25 -5.04 114.28 104.57 3gr9 n THR 228 Ca -0.48 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 3gr9 n THR 228 Cb 0.82 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3gr9 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gr9 n GLY 229 N 1.52 2.00 2.66 3.38 0.00 0.17 -4.82 105.19 110.11 3gr9 n GLY 229 Ca -0.16 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 3gr9 n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 230 N 0.00 0.22 0.73 1.61 1.01 -1.25 0.23 120.40 122.96 3gr9 s VAL 230 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 3gr9 s VAL 230 Cb 0.00 -0.87 0.04 0.00 0.00 0.00 0.00 36.38 35.54 3gr9 s VAL 230 CO 0.00 -0.33 1.22 0.29 0.00 0.00 0.00 175.10 176.29 3gr9 n LYS 231 N 5.16 0.61 -1.89 2.72 5.02 0.07 -5.00 118.16 124.84 3gr9 n LYS 231 Ca -0.07 0.27 -0.28 0.00 -2.02 0.00 0.00 58.31 56.21 3gr9 n LYS 231 Cb 0.47 -2.46 0.19 0.00 -0.02 0.00 0.00 35.03 33.21 3gr9 n LYS 231 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gr9 n SER 232 N -2.56 0.18 -0.09 4.39 3.41 -1.26 -4.98 113.62 112.70 3gr9 n SER 232 Ca 0.15 -1.51 -0.14 0.00 -0.26 0.00 0.00 58.87 57.11 3gr9 n SER 232 Cb 0.49 -0.97 -0.14 0.00 -0.26 0.00 0.00 64.21 63.33 3gr9 n SER 232 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gr9 n ASP 233 N -3.78 1.00 -4.55 4.04 8.00 -1.26 -4.80 116.55 115.21 3gr9 n ASP 233 Ca 0.16 0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.30 3gr9 n ASP 233 Cb 0.56 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 3gr9 n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gr9 s ASP 234 N -6.06 5.27 0.41 -2.24 2.15 -1.26 -4.74 116.67 110.20 3gr9 s ASP 234 Ca -0.20 0.19 0.12 0.00 0.43 0.00 0.00 52.55 53.09 3gr9 s ASP 234 Cb 0.07 -2.53 0.88 0.00 -0.30 0.00 0.00 42.92 41.04 3gr9 s ASP 234 CO 0.74 -2.42 1.95 -0.61 -0.17 0.00 0.00 175.17 174.66 3gr9 h GLN 235 N 14.41 0.14 -0.37 4.34 5.75 -1.97 0.15 115.11 137.56 3gr9 h GLN 235 Ca -0.21 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.33 3gr9 h GLN 235 Cb 1.14 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 3gr9 h GLN 235 CO 1.22 0.29 0.26 0.35 -2.65 0.00 0.00 178.83 178.30 3gr9 h PHE 236 N 0.14 0.20 0.00 3.99 3.57 -1.99 -2.01 116.94 120.84 3gr9 h PHE 236 Ca 0.03 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.19 3gr9 h PHE 236 Cb 0.34 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3gr9 h PHE 236 CO 0.00 0.11 -2.13 -1.91 -2.23 0.00 0.00 178.31 172.15 3gr9 n GLU 237 N -4.47 0.57 -0.04 1.11 4.07 -0.32 -4.56 120.64 117.01 3gr9 n GLU 237 Ca 0.05 0.26 -0.14 0.00 -0.06 0.00 0.00 57.16 57.27 3gr9 n GLU 237 Cb 0.30 -1.49 -0.09 0.00 -0.06 0.00 0.00 31.44 30.11 3gr9 n GLU 237 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3gr9 h GLU 238 N -1.00 -0.50 0.00 5.31 4.57 -0.79 -0.50 114.58 121.67 3gr9 h GLU 238 Ca -0.52 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3gr9 h GLU 238 Cb 1.45 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.16 3gr9 h GLU 238 CO -0.32 -0.33 0.59 0.77 -1.18 0.00 0.00 179.01 178.54 3gr9 h SER 239 N -0.52 0.00 -0.46 1.04 0.02 -1.59 0.21 113.55 112.26 3gr9 h SER 239 Ca 0.06 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.69 3gr9 h SER 239 Cb 0.65 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.82 3gr9 h SER 239 CO -0.47 0.00 -0.96 0.49 -1.14 0.00 0.00 176.83 174.75 3gr9 n PHE 240 N -2.03 1.54 -3.51 3.45 3.01 -0.21 -4.87 117.46 114.84 3gr9 n PHE 240 Ca -0.00 -1.94 -0.33 0.00 1.01 0.00 0.00 57.45 56.18 3gr9 n PHE 240 Cb 0.60 -0.26 -0.05 0.00 -0.01 0.00 0.00 39.48 39.75 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3gr9 s LYS 241 N -3.28 3.78 -0.09 -1.08 2.20 0.73 -5.04 119.74 116.97 3gr9 s LYS 241 Ca 0.37 0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 3gr9 s LYS 241 Cb 0.36 -2.85 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 3gr9 s LYS 241 CO -0.03 0.46 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.33 3gr9 s PHE 242 N -1.58 0.97 -0.01 4.03 0.08 -1.26 -3.89 117.98 116.31 3gr9 s PHE 242 Ca 0.40 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.10 3gr9 s PHE 242 Cb -0.13 -0.96 -0.07 0.00 -0.57 0.00 0.00 43.02 41.29 3gr9 s PHE 242 CO 0.20 -0.40 0.09 1.33 -0.10 0.00 0.00 175.22 176.34 3gr9 n VAL 243 N 5.07 0.01 -3.85 -0.44 0.24 -1.04 -5.05 118.33 113.27 3gr9 n VAL 243 Ca -0.09 -0.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 3gr9 n VAL 243 Cb 0.50 0.35 -0.14 0.00 -1.47 0.00 0.00 33.84 33.08 3gr9 n VAL 243 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gr9 s LEU 244 N -3.34 1.84 -0.69 1.34 1.02 -1.25 -5.07 118.68 112.53 3gr9 s LEU 244 Ca -0.02 0.02 -0.26 0.00 0.02 0.00 0.00 54.13 53.90 3gr9 s LEU 244 Cb 0.03 0.02 -0.01 0.00 0.02 0.00 0.00 46.19 46.25 3gr9 s LEU 244 CO 0.18 -0.02 1.72 -2.16 0.02 0.00 0.00 176.35 176.09 3gr9 s PRO 245 N 0.15 2.79 0.00 1.29 0.05 -1.26 -4.32 135.00 133.69 3gr9 s PRO 245 Ca -0.01 0.25 0.00 0.00 0.05 0.00 0.00 61.00 61.29 3gr9 s PRO 245 Cb -0.02 -4.45 0.00 0.00 0.05 0.00 0.00 34.50 30.09 3gr9 s PRO 245 CO -0.00 -2.64 0.00 0.41 0.05 0.00 0.00 177.00 174.81 3gr9 n GLY 246 N 5.79 5.19 3.42 0.56 0.00 -1.26 -5.03 105.19 113.86 3gr9 n GLY 246 Ca 0.19 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3gr9 n GLY 246 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gr9 s TYR 247 N 2.39 0.93 -0.54 1.61 2.02 -0.89 -4.86 117.35 118.01 3gr9 s TYR 247 Ca 0.00 -1.17 -0.05 0.00 -0.37 0.00 0.00 57.07 55.48 3gr9 s TYR 247 Cb 0.00 -0.18 0.14 0.00 -0.40 0.00 0.00 41.96 41.52 3gr9 s TYR 247 CO 0.00 -0.93 0.37 1.21 -1.57 0.00 0.00 175.55 174.63 3gr9 s ASN 248 N -3.16 5.49 -0.26 2.29 2.47 -1.25 -0.35 114.94 120.17 3gr9 s ASN 248 Ca 0.31 -2.36 0.13 0.00 0.42 0.00 0.00 52.86 51.36 3gr9 s ASN 248 Cb 0.02 -1.92 0.47 0.00 -1.45 0.00 0.00 41.25 38.37 3gr9 s ASN 248 CO 0.15 -0.52 1.17 1.33 -3.72 0.00 0.00 177.10 175.51 3gr9 n VAL 249 N 4.21 1.98 -1.80 -5.21 0.24 -0.40 -5.02 118.33 112.34 3gr9 n VAL 249 Ca 0.01 -3.58 -0.40 0.00 -2.04 0.00 0.00 64.34 58.34 3gr9 n VAL 249 Cb 0.40 -0.18 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 3gr9 n VAL 249 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3gr9 s ARG 250 N -3.48 3.58 0.41 7.34 3.52 -1.25 -0.46 118.95 128.61 3gr9 s ARG 250 Ca 0.41 2.38 -0.02 0.00 -0.13 0.00 0.00 55.73 58.37 3gr9 s ARG 250 Cb 0.38 -2.58 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 3gr9 s ARG 250 CO -0.00 -0.89 0.67 -1.25 -0.81 0.00 0.00 175.30 173.01 3gr9 s PRO 251 N -2.54 3.51 0.20 5.12 0.05 -1.26 -4.29 135.00 135.78 3gr9 s PRO 251 Ca 0.63 -0.08 -0.30 0.00 0.05 0.00 0.00 61.00 61.31 3gr9 s PRO 251 Cb -0.43 -2.52 -0.08 0.00 0.05 0.00 0.00 34.50 31.52 3gr9 s PRO 251 CO 0.54 -0.03 1.03 -0.51 0.05 0.00 0.00 177.00 178.09 3gr9 s LEU 252 N -4.53 4.54 0.60 -3.56 1.43 -1.26 -3.75 118.68 112.15 3gr9 s LEU 252 Ca 0.44 2.02 0.30 0.00 -1.03 0.00 0.00 54.13 55.85 3gr9 s LEU 252 Cb -0.10 -3.61 1.72 0.00 0.03 0.00 0.00 46.19 44.24 3gr9 s LEU 252 CO 0.40 -0.08 2.13 -0.08 0.23 0.00 0.00 176.35 178.96 3gr9 h GLU 253 N 4.76 0.00 0.22 1.70 4.57 -1.71 -2.73 114.58 121.38 3gr9 h GLU 253 Ca -0.45 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3gr9 h GLU 253 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3gr9 h GLU 253 CO 0.70 0.00 -0.10 1.98 -1.18 0.00 0.00 179.01 180.41 3gr9 h MET 254 N 0.00 -0.28 -0.78 1.92 4.05 -1.92 -2.73 114.93 115.18 3gr9 h MET 254 Ca 0.06 0.02 0.33 0.00 -0.28 0.00 0.00 59.70 59.83 3gr9 h MET 254 Cb 0.39 0.06 -0.14 0.00 -0.80 0.00 0.00 31.60 31.12 3gr9 h MET 254 CO -0.00 -0.19 0.43 0.43 0.23 0.00 0.00 176.91 177.81 3gr9 n SER 255 N -3.07 0.27 -0.03 1.39 7.64 -1.04 0.47 113.62 119.24 3gr9 n SER 255 Ca -0.04 1.28 -0.02 0.00 1.01 0.00 0.00 58.87 61.10 3gr9 n SER 255 Cb 0.11 -0.62 0.24 0.00 -1.01 0.00 0.00 64.21 62.93 3gr9 n SER 255 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gr9 h GLY 256 N 0.00 0.64 0.39 0.23 0.00 -1.45 0.36 103.07 103.23 3gr9 h GLY 256 Ca 0.66 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3gr9 h GLY 256 CO -0.59 0.39 -0.17 0.00 0.00 0.00 0.00 176.54 176.17 3gr9 h ALA 257 N 1.39 -0.48 -0.79 3.60 0.00 1.06 -3.07 119.26 120.98 3gr9 h ALA 257 Ca 0.11 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.06 3gr9 h ALA 257 Cb 0.43 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.26 3gr9 h ALA 257 CO 0.02 -0.46 -0.13 0.82 0.00 0.00 0.00 179.25 179.51 3gr9 h ILE 258 N -1.10 0.24 0.00 0.00 2.04 -1.40 -2.53 117.51 114.76 3gr9 h ILE 258 Ca -0.05 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3gr9 h ILE 258 Cb 0.42 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3gr9 h ILE 258 CO 0.08 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.85 3gr9 n GLY 259 N -1.49 -3.51 0.20 5.37 0.00 0.11 -0.48 105.19 105.40 3gr9 n GLY 259 Ca 0.12 0.75 0.20 0.00 0.00 0.00 0.00 46.02 47.10 3gr9 n GLY 259 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gr9 n ILE 260 N -1.08 -0.27 0.18 -0.61 5.41 -0.96 0.68 119.36 122.71 3gr9 n ILE 260 Ca 0.00 1.29 -0.14 0.00 1.00 0.00 0.00 62.75 64.90 3gr9 n ILE 260 Cb 0.00 -2.10 -0.08 0.00 -0.71 0.00 0.00 39.64 36.75 3gr9 n ILE 260 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3gr9 h GLU 261 N 0.00 -0.42 -1.01 0.38 4.39 -0.71 -2.89 114.58 114.32 3gr9 h GLU 261 Ca 0.54 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.39 3gr9 h GLU 261 Cb 1.44 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.10 3gr9 h GLU 261 CO -0.49 -0.18 0.63 1.96 -1.16 0.00 0.00 179.01 179.78 3gr9 h GLN 262 N -0.62 0.96 -0.30 2.33 1.08 0.14 0.40 115.11 119.11 3gr9 h GLN 262 Ca -0.05 -0.06 0.09 0.00 -1.45 0.00 0.00 58.65 57.18 3gr9 h GLN 262 Cb 0.44 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3gr9 h GLN 262 CO 0.07 0.64 0.37 -0.07 -0.95 0.00 0.00 178.83 178.89 3gr9 h LEU 263 N 0.99 0.00 -0.05 1.46 3.38 -1.20 0.42 115.31 120.32 3gr9 h LEU 263 Ca 0.50 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.23 3gr9 h LEU 263 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3gr9 h LEU 263 CO -0.27 0.00 -1.06 0.11 0.09 0.00 0.00 178.44 177.31 3gr9 h LYS 264 N 0.00 0.23 0.00 1.13 1.57 -0.90 -3.29 116.57 115.30 3gr9 h LYS 264 Ca 0.14 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 3gr9 h LYS 264 Cb 0.88 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3gr9 h LYS 264 CO -0.00 1.10 -0.61 1.63 -0.57 0.00 0.00 179.45 181.00 3gr9 n LYS 265 N -3.57 0.26 -0.21 3.15 5.02 0.12 -4.35 118.16 118.59 3gr9 n LYS 265 Ca -0.06 0.08 -0.06 0.00 -2.02 0.00 0.00 58.31 56.25 3gr9 n LYS 265 Cb 0.93 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 34.22 3gr9 n LYS 265 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3gr9 h LEU 266 N 0.00 -1.12 -0.80 -0.35 5.85 -0.87 0.33 115.31 118.36 3gr9 h LEU 266 Ca 0.00 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3gr9 h LEU 266 Cb 0.72 0.49 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 3gr9 h LEU 266 CO 0.00 -0.13 -0.38 -2.65 -0.34 0.00 0.00 178.44 174.94 3gr9 n PRO 267 N -4.17 -0.26 0.08 5.25 -0.02 -1.26 0.12 135.00 134.73 3gr9 n PRO 267 Ca 0.01 1.21 -0.04 0.00 -2.02 0.00 0.00 63.50 62.66 3gr9 n PRO 267 Cb 0.14 -1.79 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 3gr9 n PRO 267 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3gr9 h ARG 268 N 0.00 0.28 -0.48 -0.52 2.43 -1.48 -2.40 114.38 112.21 3gr9 h ARG 268 Ca 0.21 -0.15 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3gr9 h ARG 268 Cb 0.41 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3gr9 h ARG 268 CO -0.77 0.70 0.33 0.74 -1.51 0.00 0.00 179.97 179.46 3gr9 h PHE 269 N 0.22 0.37 0.00 2.20 -1.00 0.47 -2.47 116.94 116.74 3gr9 h PHE 269 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3gr9 h PHE 269 Cb 0.93 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.37 3gr9 h PHE 269 CO 0.02 0.20 -0.06 0.82 -1.61 0.00 0.00 178.31 177.67 3gr9 h ILE 270 N 0.37 0.00 -0.22 -0.55 2.04 -0.68 -2.22 117.51 116.26 3gr9 h ILE 270 Ca 0.21 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.39 3gr9 h ILE 270 Cb 0.37 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3gr9 h ILE 270 CO -0.05 0.00 0.46 0.77 0.00 0.00 0.00 178.15 179.33 3gr9 h SER 271 N -0.75 0.00 0.31 1.72 4.64 -1.49 1.62 113.55 119.60 3gr9 h SER 271 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3gr9 h SER 271 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.18 3gr9 h SER 271 CO 0.00 0.00 -1.53 0.58 -0.87 0.00 0.00 176.83 175.01 3gr9 h VAL 272 N 0.00 1.21 -0.06 0.95 2.07 -1.54 -1.86 116.25 117.02 3gr9 h VAL 272 Ca 0.10 -2.71 -0.14 0.00 0.82 0.00 0.00 66.70 64.77 3gr9 h VAL 272 Cb 1.03 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.72 3gr9 h VAL 272 CO -0.00 0.83 -0.60 0.03 0.02 0.00 0.00 177.57 177.85 3gr9 h ARG 273 N 0.12 0.19 0.00 1.57 3.08 0.51 -2.29 114.38 117.56 3gr9 h ARG 273 Ca -0.26 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 3gr9 h ARG 273 Cb 2.12 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.18 3gr9 h ARG 273 CO 0.23 0.73 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.69 3gr9 h ARG 274 N 0.14 0.00 0.02 0.04 2.43 0.21 -3.09 114.38 114.12 3gr9 h ARG 274 Ca -0.01 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 3gr9 h ARG 274 Cb 1.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 3gr9 h ARG 274 CO 0.09 0.08 -1.60 0.87 -1.51 0.00 0.00 179.97 177.90 3gr9 h LYS 275 N 0.00 0.04 -0.12 0.20 1.57 -0.77 -3.13 116.57 114.35 3gr9 h LYS 275 Ca -0.00 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 3gr9 h LYS 275 Cb 0.69 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3gr9 h LYS 275 CO 0.01 0.68 -0.55 -0.91 -0.57 0.00 0.00 179.45 178.11 3gr9 h ASN 276 N 0.01 0.41 0.12 0.86 2.35 -1.49 -2.80 115.58 115.03 3gr9 h ASN 276 Ca -0.25 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 3gr9 h ASN 276 Cb 1.98 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.23 3gr9 h ASN 276 CO 0.09 0.88 -0.06 0.00 -1.65 0.00 0.00 177.43 176.70 3gr9 h ALA 277 N 1.13 -0.16 -0.32 -0.83 0.00 -1.66 0.17 119.26 117.60 3gr9 h ALA 277 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gr9 h ALA 277 Cb 1.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3gr9 h ALA 277 CO 0.09 -0.37 0.14 1.05 0.00 0.00 0.00 179.25 180.16 3gr9 h GLU 278 N -0.59 0.45 -0.44 0.00 4.11 -1.60 0.29 114.58 116.79 3gr9 h GLU 278 Ca -0.02 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 3gr9 h GLU 278 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gr9 h GLU 278 CO 0.03 0.37 -0.22 -0.92 0.07 0.00 0.00 179.01 178.33 3gr9 h TYR 279 N 0.45 1.07 -0.71 2.06 3.20 -1.43 -2.81 116.97 118.79 3gr9 h TYR 279 Ca 0.11 -0.27 -0.04 0.00 3.14 0.00 0.00 58.73 61.67 3gr9 h TYR 279 Cb 0.08 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3gr9 h TYR 279 CO 0.00 1.07 0.28 0.35 -1.64 0.00 0.00 178.16 178.22 3gr9 h PHE 280 N 0.76 1.09 0.80 -3.82 3.57 0.83 -2.27 116.94 117.90 3gr9 h PHE 280 Ca 0.10 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3gr9 h PHE 280 Cb 0.80 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.22 3gr9 h PHE 280 CO 0.06 0.84 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.52 3gr9 h LEU 281 N 1.02 -0.91 -0.66 0.59 3.38 -0.42 -0.23 115.31 118.07 3gr9 h LEU 281 Ca 0.24 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.33 3gr9 h LEU 281 Cb 0.22 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3gr9 h LEU 281 CO -0.02 -0.60 0.26 -0.78 0.09 0.00 0.00 178.44 177.39 3gr9 h ASP 282 N -1.17 0.25 -0.99 -0.43 3.58 -1.51 0.49 116.42 116.64 3gr9 h ASP 282 Ca -0.11 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.50 3gr9 h ASP 282 Cb 0.84 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.88 3gr9 h ASP 282 CO 0.18 0.13 0.64 0.11 -2.88 0.00 0.00 179.24 177.43 3gr9 h LYS 283 N 0.43 1.09 -0.49 0.28 1.79 -1.22 -2.76 116.57 115.70 3gr9 h LYS 283 Ca 0.34 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 3gr9 h LYS 283 Cb 0.45 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3gr9 h LYS 283 CO -0.34 0.72 0.00 1.19 -1.08 0.00 0.00 179.45 179.95 3gr9 n PHE 284 N -4.52 1.28 -0.25 -1.35 3.72 0.29 -4.69 117.46 111.93 3gr9 n PHE 284 Ca 0.16 -0.68 -0.05 0.00 -0.05 0.00 0.00 57.45 56.83 3gr9 n PHE 284 Cb 0.22 -0.27 0.10 0.00 -0.94 0.00 0.00 39.48 38.59 3gr9 n PHE 284 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3gr9 h LYS 285 N 3.16 1.11 -0.17 -1.08 3.64 0.15 -3.18 116.57 120.20 3gr9 h LYS 285 Ca 0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3gr9 h LYS 285 Cb 1.42 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3gr9 h LYS 285 CO 0.23 0.91 0.00 -0.25 -2.27 0.00 0.00 179.45 178.07 3gr9 n ASP 286 N -4.28 2.49 -2.71 4.20 9.92 -1.26 -5.03 116.55 119.88 3gr9 n ASP 286 Ca 0.07 -1.72 -0.35 0.00 -0.53 0.00 0.00 54.79 52.26 3gr9 n ASP 286 Cb 0.19 -0.10 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 3gr9 n ASP 286 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 3gr9 n HIS 287 N 0.75 0.27 0.26 1.24 -0.00 -1.21 -4.83 115.22 111.71 3gr9 n HIS 287 Ca 0.10 0.63 0.11 0.00 0.46 0.00 0.00 57.72 59.03 3gr9 n HIS 287 Cb 0.38 -1.25 0.72 0.00 -0.12 0.00 0.00 29.99 29.72 3gr9 n HIS 287 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3gr9 h PRO 288 N 1.62 0.00 0.00 1.57 0.13 -1.93 -3.35 132.00 130.03 3gr9 h PRO 288 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gr9 h PRO 288 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3gr9 h PRO 288 CO 0.39 0.10 0.00 2.48 -0.23 0.00 0.00 178.00 180.74 3gr9 n TYR 289 N -3.86 0.00 -4.39 1.56 4.11 -1.26 -4.98 117.16 108.33 3gr9 n TYR 289 Ca -0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.54 3gr9 n TYR 289 Cb 0.20 0.01 -0.12 0.00 -0.00 0.00 0.00 39.34 39.43 3gr9 n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3gr9 s LEU 290 N 0.00 3.28 -0.13 -3.48 1.43 -1.26 -1.28 118.68 117.24 3gr9 s LEU 290 Ca 0.00 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 3gr9 s LEU 290 Cb 0.00 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 3gr9 s LEU 290 CO 0.00 0.18 0.01 -1.81 0.23 0.00 0.00 176.35 174.96 3gr9 s ASP 291 N 0.29 5.24 0.48 2.29 1.01 0.30 -4.71 116.67 121.56 3gr9 s ASP 291 Ca -0.03 0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.35 3gr9 s ASP 291 Cb -0.14 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 42.08 3gr9 s ASP 291 CO 0.03 0.26 0.37 0.68 0.21 0.00 0.00 175.17 176.72 3gr9 s VAL 292 N -0.19 2.13 0.11 -1.27 -7.23 -1.26 -0.97 120.40 111.72 3gr9 s VAL 292 Ca 0.05 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 3gr9 s VAL 292 Cb -0.12 -2.59 -0.06 0.00 0.56 0.00 0.00 36.38 34.16 3gr9 s VAL 292 CO 0.02 0.00 1.11 -1.58 -0.31 0.00 0.00 175.10 174.34 3gr9 s GLN 293 N -4.17 4.53 -0.34 4.82 0.74 -1.26 -4.93 119.66 119.05 3gr9 s GLN 293 Ca 0.41 1.69 -0.25 0.00 0.05 0.00 0.00 55.36 57.25 3gr9 s GLN 293 Cb -0.02 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.77 3gr9 s GLN 293 CO 0.24 -0.06 0.90 -1.14 -0.55 0.00 0.00 175.29 174.68 3gr9 s GLN 294 N 0.36 3.91 0.35 1.67 0.74 -0.93 -5.00 119.66 120.77 3gr9 s GLN 294 Ca 0.53 0.65 -0.27 0.00 0.05 0.00 0.00 55.36 56.31 3gr9 s GLN 294 Cb -0.28 -3.77 -0.09 0.00 1.10 0.00 0.00 33.01 29.97 3gr9 s GLN 294 CO 0.32 -0.85 1.23 -2.00 -0.55 0.00 0.00 175.29 173.44 3gr9 s GLU 295 N 3.32 4.25 -0.10 1.67 2.12 -1.26 -4.51 118.70 124.18 3gr9 s GLU 295 Ca 0.37 2.03 0.02 0.00 0.36 0.00 0.00 54.97 57.75 3gr9 s GLU 295 Cb -0.13 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.35 3gr9 s GLU 295 CO 0.16 -0.21 -0.16 0.99 -0.54 0.00 0.00 175.26 175.50 3gr9 s THR 296 N -1.24 1.52 0.00 -1.70 2.01 -1.26 -4.99 115.64 109.97 3gr9 s THR 296 Ca 0.52 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.85 3gr9 s THR 296 Cb -0.36 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 70.78 3gr9 s THR 296 CO 0.46 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.45 3gr9 n GLY 297 N 4.10 4.02 2.55 4.40 0.00 -1.26 -3.94 105.19 115.05 3gr9 n GLY 297 Ca -0.19 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3gr9 n GLY 297 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gr9 s GLU 298 N 0.00 0.56 0.79 1.61 2.02 -0.92 -5.02 118.70 117.74 3gr9 s GLU 298 Ca 0.00 -1.15 -0.14 0.00 0.02 0.00 0.00 54.97 53.69 3gr9 s GLU 298 Cb 0.00 -1.47 0.04 0.00 0.10 0.00 0.00 34.13 32.80 3gr9 s GLU 298 CO 0.00 -1.12 0.95 0.45 0.02 0.00 0.00 175.26 175.56 3gr9 n SER 299 N 4.43 0.21 -1.24 -0.19 2.88 -1.25 -1.84 113.62 116.62 3gr9 n SER 299 Ca 0.05 0.58 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 3gr9 n SER 299 Cb 0.39 -1.41 0.27 0.00 -0.75 0.00 0.00 64.21 62.71 3gr9 n SER 299 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gr9 n SER 300 N -2.20 3.65 -3.53 -3.46 3.41 0.37 -4.80 113.62 107.06 3gr9 n SER 300 Ca 0.12 -1.99 -0.20 0.00 -0.26 0.00 0.00 58.87 56.53 3gr9 n SER 300 Cb 0.50 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3gr9 n SER 300 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gr9 n TRP 301 N 1.55 -1.64 -0.04 7.33 7.02 -1.24 -4.83 117.44 125.58 3gr9 n TRP 301 Ca 0.22 0.67 -0.09 0.00 -1.02 0.00 0.00 57.50 57.28 3gr9 n TRP 301 Cb 0.61 -2.17 -0.02 0.00 -2.42 0.00 0.00 31.31 27.30 3gr9 n TRP 301 CO 0.00 0.00 0.00 0.35 -2.02 0.00 0.00 177.69 176.02 3gr9 h PHE 302 N 0.01 -0.75 -1.30 -5.99 3.57 -1.43 -3.44 116.94 107.61 3gr9 h PHE 302 Ca -0.52 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.02 3gr9 h PHE 302 Cb 1.13 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.23 3gr9 h PHE 302 CO 0.18 -0.35 0.00 0.41 -2.23 0.00 0.00 178.31 176.32 3gr9 n GLY 303 N -1.39 3.17 3.20 2.40 0.00 -1.26 -3.55 105.19 107.75 3gr9 n GLY 303 Ca -0.01 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 3gr9 n GLY 303 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gr9 s PHE 304 N -4.05 2.64 0.23 1.61 0.08 0.17 -4.85 117.98 113.81 3gr9 s PHE 304 Ca 0.00 -1.22 0.06 0.00 0.12 0.00 0.00 56.93 55.89 3gr9 s PHE 304 Cb 0.00 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.63 3gr9 s PHE 304 CO 0.00 -0.53 0.24 -1.54 -0.10 0.00 0.00 175.22 173.28 3gr9 s SER 305 N 0.65 5.79 -0.09 1.36 1.04 -1.26 -0.57 113.70 120.62 3gr9 s SER 305 Ca -0.11 -0.12 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 3gr9 s SER 305 Cb -0.16 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.42 3gr9 s SER 305 CO 0.02 -0.03 0.23 -0.36 0.98 0.00 0.00 173.24 174.08 3gr9 s PHE 306 N -2.01 -0.27 -0.04 5.02 0.08 -0.69 -4.38 117.98 115.69 3gr9 s PHE 306 Ca 0.33 0.65 0.04 0.00 0.12 0.00 0.00 56.93 58.06 3gr9 s PHE 306 Cb -0.09 0.08 -0.00 0.00 -0.57 0.00 0.00 43.02 42.44 3gr9 s PHE 306 CO 0.26 -0.14 -0.15 0.42 -0.10 0.00 0.00 175.22 175.50 3gr9 s ILE 307 N 0.37 1.28 -0.37 0.64 -1.09 -0.14 -1.64 121.20 120.25 3gr9 s ILE 307 Ca -0.02 -0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 57.52 3gr9 s ILE 307 Cb -0.03 -1.11 0.01 0.00 -1.58 0.00 0.00 42.46 39.75 3gr9 s ILE 307 CO -0.02 0.37 0.86 -0.63 -1.23 0.00 0.00 174.94 174.30 3gr9 s ILE 308 N 0.08 4.65 0.26 2.92 1.01 -0.58 -0.54 121.20 129.00 3gr9 s ILE 308 Ca -0.04 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 3gr9 s ILE 308 Cb -0.11 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 37.94 3gr9 s ILE 308 CO 0.02 -0.49 1.12 0.29 0.00 0.00 0.00 174.94 175.88 3gr9 n LYS 309 N 6.62 1.45 -1.63 2.79 5.02 -0.40 -4.83 118.16 127.17 3gr9 n LYS 309 Ca 0.05 0.51 -0.44 0.00 -2.02 0.00 0.00 58.31 56.42 3gr9 n LYS 309 Cb 0.48 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.51 3gr9 n LYS 309 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gr9 n LYS 310 N 1.14 1.64 -3.42 1.97 5.02 -1.26 -2.72 118.16 120.53 3gr9 n LYS 310 Ca 0.11 0.57 -0.24 0.00 -2.02 0.00 0.00 58.31 56.73 3gr9 n LYS 310 Cb 0.30 -2.02 0.06 0.00 -0.02 0.00 0.00 35.03 33.35 3gr9 n LYS 310 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3gr9 n ASP 311 N 1.04 -6.15 -0.85 4.39 8.00 -1.26 -4.85 116.55 116.87 3gr9 n ASP 311 Ca 0.08 -0.47 0.11 0.00 0.71 0.00 0.00 54.79 55.22 3gr9 n ASP 311 Cb 0.34 -4.89 0.08 0.00 -0.02 0.00 0.00 41.12 36.63 3gr9 n ASP 311 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gr9 n SER 312 N -2.83 2.76 0.00 -2.24 3.41 -1.10 -4.95 113.62 108.67 3gr9 n SER 312 Ca -0.03 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3gr9 n SER 312 Cb 0.58 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3gr9 n SER 312 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gr9 n GLY 313 N 1.30 1.07 0.11 5.00 0.00 -1.26 -4.91 105.19 106.49 3gr9 n GLY 313 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3gr9 n GLY 313 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gr9 n VAL 314 N 0.00 0.00 -4.81 1.61 0.31 -1.26 -4.94 118.33 109.23 3gr9 n VAL 314 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3gr9 n VAL 314 Cb 0.00 -0.01 -0.14 0.00 -0.91 0.00 0.00 33.84 32.78 3gr9 n VAL 314 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3gr9 s ILE 315 N 0.06 2.00 0.03 2.52 -0.00 -1.26 -4.99 121.20 119.56 3gr9 s ILE 315 Ca 0.03 -1.34 -0.06 0.00 -0.00 0.00 0.00 60.65 59.28 3gr9 s ILE 315 Cb -0.04 -1.72 -0.01 0.00 -0.00 0.00 0.00 42.46 40.69 3gr9 s ILE 315 CO 0.02 0.31 0.93 -1.14 -0.00 0.00 0.00 174.94 175.07 3gr9 n ARG 316 N 1.78 -0.08 -0.37 0.37 0.00 -1.26 -2.81 116.66 114.28 3gr9 n ARG 316 Ca -0.17 0.93 -0.10 0.00 -0.00 0.00 0.00 57.85 58.51 3gr9 n ARG 316 Cb 0.52 -1.38 -0.09 0.00 0.00 0.00 0.00 32.46 31.51 3gr9 n ARG 316 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3gr9 n LYS 317 N -3.34 -0.38 -0.32 -0.14 4.81 -1.26 -0.75 118.16 116.78 3gr9 n LYS 317 Ca 0.00 1.42 0.10 0.00 -0.87 0.00 0.00 58.31 58.96 3gr9 n LYS 317 Cb 0.05 -2.08 0.21 0.00 0.02 0.00 0.00 35.03 33.23 3gr9 n LYS 317 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3gr9 n GLN 318 N -4.99 -0.08 0.01 1.64 -0.06 -1.12 -0.15 117.38 112.62 3gr9 n GLN 318 Ca 0.02 1.38 -0.18 0.00 -2.00 0.00 0.00 57.00 56.22 3gr9 n GLN 318 Cb 0.23 -2.14 -0.11 0.00 -4.06 0.00 0.00 30.24 24.16 3gr9 n GLN 318 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3gr9 h LEU 319 N 0.00 0.62 0.33 1.69 4.07 -0.99 -2.82 115.31 118.22 3gr9 h LEU 319 Ca 0.51 -0.74 -0.00 0.00 0.08 0.00 0.00 57.88 57.72 3gr9 h LEU 319 Cb 0.95 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.49 3gr9 h LEU 319 CO -0.88 1.28 -0.29 0.58 -1.08 0.00 0.00 178.44 178.05 3gr9 h VAL 320 N 0.03 0.40 -0.54 1.22 2.07 -0.38 -0.62 116.25 118.42 3gr9 h VAL 320 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3gr9 h VAL 320 Cb 1.37 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3gr9 h VAL 320 CO 0.13 0.00 -0.29 1.21 0.02 0.00 0.00 177.57 178.64 3gr9 n GLU 321 N -5.41 -0.21 0.14 1.57 2.13 0.78 -0.69 120.64 118.95 3gr9 n GLU 321 Ca -0.09 0.82 0.02 0.00 0.66 0.00 0.00 57.16 58.57 3gr9 n GLU 321 Cb 0.31 -1.22 0.36 0.00 0.27 0.00 0.00 31.44 31.17 3gr9 n GLU 321 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3gr9 h ASN 322 N 0.00 0.17 0.64 4.31 2.35 -0.88 -2.65 115.58 119.51 3gr9 h ASN 322 Ca 0.11 -0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 3gr9 h ASN 322 Cb 0.25 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3gr9 h ASN 322 CO -0.52 0.41 -0.76 -0.07 -1.65 0.00 0.00 177.43 174.85 3gr9 h LEU 323 N 0.16 0.11 -0.09 1.61 3.38 0.14 -2.94 115.31 117.69 3gr9 h LEU 323 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gr9 h LEU 323 Cb 0.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3gr9 h LEU 323 CO 0.04 0.83 0.06 0.78 0.09 0.00 0.00 178.44 180.23 3gr9 h ASN 324 N 0.06 0.11 0.00 -0.43 -0.26 -1.23 0.29 115.58 114.11 3gr9 h ASN 324 Ca -0.02 -0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3gr9 h ASN 324 Cb 1.33 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.56 3gr9 h ASN 324 CO 0.11 0.12 0.00 -1.20 -1.06 0.00 0.00 177.43 175.39 3gr9 n SER 325 N -5.00 0.00 -0.00 5.81 7.64 -1.01 -1.62 113.62 119.43 3gr9 n SER 325 Ca -0.05 -0.78 0.05 0.00 1.01 0.00 0.00 58.87 59.10 3gr9 n SER 325 Cb 0.05 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 3gr9 n SER 325 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gr9 n ALA 326 N -0.88 3.01 0.00 -0.43 0.00 -0.81 -4.98 120.51 116.42 3gr9 n ALA 326 Ca 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3gr9 n ALA 326 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.16 3gr9 n ALA 326 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gr9 n GLY 327 N 1.41 1.00 3.39 0.00 0.00 -0.64 -5.06 105.19 105.29 3gr9 n GLY 327 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 3gr9 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gr9 s ILE 328 N -2.00 5.16 0.20 -0.61 1.01 0.95 -5.00 121.20 120.91 3gr9 s ILE 328 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.31 3gr9 s ILE 328 Cb 0.00 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 3gr9 s ILE 328 CO 0.00 -0.67 0.92 -0.62 0.00 0.00 0.00 174.94 174.57 3gr9 n GLU 329 N 5.40 0.80 -3.84 2.79 1.02 -1.26 -3.77 120.64 121.78 3gr9 n GLU 329 Ca -0.12 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 3gr9 n GLU 329 Cb 0.43 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 3gr9 n GLU 329 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gr9 s ARG 331 N -0.89 1.71 0.66 0.00 1.70 -0.36 -4.98 118.95 116.79 3gr9 s ARG 331 Ca -0.10 -1.99 -0.05 0.00 -0.47 0.00 0.00 55.73 53.12 3gr9 s ARG 331 Cb -0.05 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 3gr9 s ARG 331 CO 0.01 -0.63 0.96 -2.14 -1.08 0.00 0.00 175.30 172.42 3gr9 s PRO 332 N -3.50 2.35 -0.54 3.89 0.01 -1.26 0.25 135.00 136.19 3gr9 s PRO 332 Ca 0.41 -0.32 -0.28 0.00 0.01 0.00 0.00 61.00 60.81 3gr9 s PRO 332 Cb 0.03 -2.24 0.02 0.00 0.01 0.00 0.00 34.50 32.32 3gr9 s PRO 332 CO 0.26 -1.08 1.33 0.42 0.01 0.00 0.00 177.00 177.95 3gr9 s ILE 333 N -3.13 3.90 0.00 2.83 1.01 -1.26 -4.23 121.20 120.32 3gr9 s ILE 333 Ca 0.59 0.82 0.00 0.00 0.00 0.00 0.00 60.65 62.06 3gr9 s ILE 333 Cb -0.11 -4.50 0.00 0.00 0.01 0.00 0.00 42.46 37.87 3gr9 s ILE 333 CO 0.44 -1.14 0.00 0.52 0.00 0.00 0.00 174.94 174.76 3gr9 n VAL 334 N 6.85 0.00 -0.66 2.92 0.31 -1.26 -0.76 118.33 125.72 3gr9 n VAL 334 Ca 0.12 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.46 3gr9 n VAL 334 Cb 0.49 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.43 3gr9 n VAL 334 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gr9 n THR 335 N 0.00 0.56 -4.95 2.52 -2.24 -1.26 -5.05 114.28 103.86 3gr9 n THR 335 Ca 0.00 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3gr9 n THR 335 Cb 0.00 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3gr9 n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gr9 n GLY 336 N -0.31 1.06 3.61 3.38 0.00 0.06 -4.49 105.19 108.49 3gr9 n GLY 336 Ca 0.01 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 3gr9 n GLY 336 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gr9 s ASN 337 N -4.00 5.69 0.20 1.61 3.84 -1.25 -4.46 114.94 116.56 3gr9 s ASN 337 Ca 0.00 1.98 0.04 0.00 0.21 0.00 0.00 52.86 55.09 3gr9 s ASN 337 Cb 0.00 -2.52 0.10 0.00 -0.55 0.00 0.00 41.25 38.28 3gr9 s ASN 337 CO 0.00 -1.76 1.45 0.15 -2.79 0.00 0.00 177.10 174.15 3gr9 h PHE 338 N 14.00 0.26 0.00 0.43 3.57 -1.52 -2.94 116.94 130.74 3gr9 h PHE 338 Ca -0.42 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 60.96 3gr9 h PHE 338 Cb 1.23 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3gr9 h PHE 338 CO 0.94 0.88 0.00 1.28 -2.23 0.00 0.00 178.31 179.18 3gr9 n LEU 339 N -3.73 0.00 -0.19 0.59 4.77 -1.26 -1.49 117.00 115.69 3gr9 n LEU 339 Ca -0.03 0.01 0.14 0.00 -0.03 0.00 0.00 56.01 56.10 3gr9 n LEU 339 Cb 0.73 -0.01 0.53 0.00 -2.33 0.00 0.00 43.42 42.34 3gr9 n LEU 339 CO 0.46 -0.01 0.80 2.29 -1.33 0.00 0.00 177.39 179.60 3gr9 n LYS 340 N -1.01 0.83 -2.08 3.23 2.85 -1.11 -4.27 118.16 116.60 3gr9 n LYS 340 Ca 0.05 -0.38 -0.42 0.00 -1.05 0.00 0.00 58.31 56.51 3gr9 n LYS 340 Cb 0.02 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 3gr9 n LYS 340 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gr9 n ASN 341 N -0.75 4.57 -0.40 -5.58 3.02 -0.56 -4.77 115.26 110.78 3gr9 n ASN 341 Ca 0.14 -3.00 0.33 0.00 -0.03 0.00 0.00 54.58 52.02 3gr9 n ASN 341 Cb 0.30 -1.56 0.62 0.00 -0.61 0.00 0.00 39.78 38.54 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gr9 h THR 342 N 3.86 0.28 -0.23 3.41 1.03 -1.87 -2.91 112.91 116.48 3gr9 h THR 342 Ca 0.47 -0.06 -0.18 0.00 -0.01 0.00 0.00 66.41 66.62 3gr9 h THR 342 Cb 0.63 0.09 -0.00 0.00 -1.07 0.00 0.00 68.15 67.80 3gr9 h THR 342 CO 1.74 0.03 -0.59 0.44 -0.01 0.00 0.00 175.52 177.13 3gr9 h ASP 343 N 0.18 0.84 0.94 0.00 3.32 -1.96 -3.20 116.42 116.53 3gr9 h ASP 343 Ca 0.73 -0.47 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 3gr9 h ASP 343 Cb 2.24 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 41.51 3gr9 h ASP 343 CO -0.32 1.24 -1.08 1.62 -1.72 0.00 0.00 179.24 178.97 3gr9 h VAL 344 N 0.56 1.61 -0.31 -1.35 3.04 -1.94 -3.25 116.25 114.61 3gr9 h VAL 344 Ca -0.00 -3.33 0.09 0.00 -1.01 0.00 0.00 66.70 62.44 3gr9 h VAL 344 Cb 1.18 2.79 -0.01 0.00 -2.01 0.00 0.00 31.29 33.25 3gr9 h VAL 344 CO 0.12 0.92 0.29 -0.07 -1.01 0.00 0.00 177.57 177.82 3gr9 h LEU 345 N 0.00 0.00 -0.76 3.16 3.38 -1.52 -0.51 115.31 119.06 3gr9 h LEU 345 Ca -0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3gr9 h LEU 345 Cb 1.80 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 3gr9 h LEU 345 CO 0.12 0.00 0.46 0.11 0.09 0.00 0.00 178.44 179.22 3gr9 h LYS 346 N 0.00 0.83 0.00 1.13 1.57 -1.59 -1.64 116.57 116.87 3gr9 h LYS 346 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gr9 h LYS 346 Cb 0.72 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3gr9 h LYS 346 CO -0.00 0.55 0.00 0.66 -0.57 0.00 0.00 179.45 180.09 3gr9 n TYR 347 N -4.68 0.00 -3.98 -1.35 4.01 -0.20 -4.85 117.16 106.10 3gr9 n TYR 347 Ca 0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 3gr9 n TYR 347 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 3gr9 n TYR 347 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3gr9 s PHE 348 N -2.00 3.36 -0.69 -0.72 0.40 -0.62 -4.99 117.98 112.73 3gr9 s PHE 348 Ca 0.29 0.15 -0.08 0.00 -0.60 0.00 0.00 56.93 56.69 3gr9 s PHE 348 Cb 0.13 -1.68 0.18 0.00 0.51 0.00 0.00 43.02 42.16 3gr9 s PHE 348 CO 0.22 0.55 0.56 0.34 0.70 0.00 0.00 175.22 177.59 3gr9 s ASP 349 N -2.56 5.89 0.25 1.36 2.15 -1.26 -5.04 116.67 117.46 3gr9 s ASP 349 Ca 0.32 -2.68 0.01 0.00 0.43 0.00 0.00 52.55 50.64 3gr9 s ASP 349 Cb -0.12 -2.01 -0.05 0.00 -0.30 0.00 0.00 42.92 40.43 3gr9 s ASP 349 CO 0.25 -0.49 0.09 -0.72 -0.17 0.00 0.00 175.17 174.13 3gr9 s TYR 350 N 0.20 1.50 0.14 -5.34 1.13 -1.26 -1.10 117.35 112.63 3gr9 s TYR 350 Ca 0.16 -1.17 -0.08 0.00 -1.41 0.00 0.00 57.07 54.57 3gr9 s TYR 350 Cb -0.17 -0.88 -0.01 0.00 -1.10 0.00 0.00 41.96 39.80 3gr9 s TYR 350 CO -0.05 -0.33 0.24 -0.08 -2.51 0.00 0.00 175.55 172.81 3gr9 s THR 351 N -3.76 0.09 -0.07 -3.49 -1.32 0.17 -4.94 115.64 102.32 3gr9 s THR 351 Ca 0.37 -1.40 0.05 0.00 -1.21 0.00 0.00 61.69 59.49 3gr9 s THR 351 Cb 0.08 -1.75 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3gr9 s THR 351 CO 0.13 -0.40 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.23 3gr9 s VAL 352 N -3.95 2.30 -0.37 5.08 1.01 -1.26 -1.29 120.40 121.92 3gr9 s VAL 352 Ca 0.15 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3gr9 s VAL 352 Cb 0.04 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.57 3gr9 s VAL 352 CO -0.02 0.57 0.91 -2.28 0.00 0.00 0.00 175.10 174.27 3gr9 s HIS 353 N -0.13 3.08 0.00 5.22 2.46 -0.82 -4.77 115.29 120.33 3gr9 s HIS 353 Ca -0.04 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.23 3gr9 s HIS 353 Cb -0.14 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.70 3gr9 s HIS 353 CO 0.04 -0.81 0.00 -1.71 -2.47 0.00 0.00 174.74 169.79 3gr9 n ASN 354 N 6.73 0.00 -2.39 9.88 5.15 -1.26 -4.73 115.26 128.63 3gr9 n ASN 354 Ca 0.07 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.94 3gr9 n ASN 354 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.71 3gr9 n ASN 354 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 3gr9 n ASN 355 N 10.54 -1.00 -2.73 1.20 0.23 -1.26 -5.09 115.26 117.15 3gr9 n ASN 355 Ca 0.00 -2.32 -0.11 0.00 -0.53 0.00 0.00 54.58 51.62 3gr9 n ASN 355 Cb 0.00 1.84 0.02 0.00 -2.08 0.00 0.00 39.78 39.56 3gr9 n ASN 355 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3gr9 n VAL 356 N -0.40 0.89 0.04 3.53 0.24 -1.26 -4.25 118.33 117.11 3gr9 n VAL 356 Ca 0.00 -3.33 0.07 0.00 -2.04 0.00 0.00 64.34 59.05 3gr9 n VAL 356 Cb 0.41 0.47 0.50 0.00 -1.47 0.00 0.00 33.84 33.76 3gr9 n VAL 356 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gr9 h ASP 357 N 2.99 0.32 -0.09 -1.34 3.32 -1.98 -0.18 116.42 119.46 3gr9 h ASP 357 Ca -0.06 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3gr9 h ASP 357 Cb 1.14 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 3gr9 h ASP 357 CO 0.51 0.22 0.02 0.78 -1.72 0.00 0.00 179.24 179.06 3gr9 h ASN 358 N 0.37 0.14 0.11 6.45 2.35 -1.90 0.58 115.58 123.68 3gr9 h ASN 358 Ca 0.15 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3gr9 h ASN 358 Cb 0.14 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3gr9 h ASN 358 CO -0.03 0.33 -0.16 0.00 -1.65 0.00 0.00 177.43 175.91 3gr9 h ALA 359 N 0.82 1.59 -0.08 -0.83 0.00 -1.74 0.58 119.26 119.60 3gr9 h ALA 359 Ca 0.03 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3gr9 h ALA 359 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gr9 h ALA 359 CO 0.00 0.30 -0.55 0.93 0.00 0.00 0.00 179.25 179.93 3gr9 h GLU 360 N 0.12 0.23 0.01 0.00 5.08 -0.56 0.68 114.58 120.14 3gr9 h GLU 360 Ca 0.02 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3gr9 h GLU 360 Cb 0.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3gr9 h GLU 360 CO 0.02 0.72 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.62 3gr9 h TYR 361 N 0.18 0.20 -0.54 4.33 3.20 -0.14 -3.15 116.97 121.04 3gr9 h TYR 361 Ca 0.00 -0.11 0.11 0.00 3.14 0.00 0.00 58.73 61.87 3gr9 h TYR 361 Cb 1.02 -0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.18 3gr9 h TYR 361 CO 0.02 0.95 -0.03 1.25 -1.64 0.00 0.00 178.16 178.70 3gr9 h LEU 362 N -0.61 -0.31 -0.59 2.82 6.46 -0.90 0.13 115.31 122.32 3gr9 h LEU 362 Ca -0.03 0.14 0.12 0.00 -0.12 0.00 0.00 57.88 57.99 3gr9 h LEU 362 Cb 1.01 0.26 -0.10 0.00 -0.73 0.00 0.00 40.66 41.11 3gr9 h LEU 362 CO 0.04 -0.11 -0.01 -0.78 -0.62 0.00 0.00 178.44 176.96 3gr9 h ASP 363 N 0.08 -0.28 0.03 1.25 3.58 -0.84 -0.04 116.42 120.21 3gr9 h ASP 363 Ca 0.27 0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.70 3gr9 h ASP 363 Cb 0.43 0.26 0.02 0.00 1.72 0.00 0.00 39.33 41.76 3gr9 h ASP 363 CO -0.48 -0.11 -0.70 0.11 -2.88 0.00 0.00 179.24 175.17 3gr9 h LYS 364 N 0.11 0.42 -0.60 0.28 6.56 -1.23 -3.37 116.57 118.73 3gr9 h LYS 364 Ca 0.30 -0.49 -0.34 0.00 -1.06 0.00 0.00 60.65 59.06 3gr9 h LYS 364 Cb 0.48 0.15 -0.20 0.00 -0.57 0.00 0.00 32.23 32.09 3gr9 h LYS 364 CO -0.51 1.16 0.11 0.09 -2.06 0.00 0.00 179.45 178.24 3gr9 n ASN 365 N -4.16 3.47 -4.37 0.86 3.02 0.33 -4.60 115.26 109.83 3gr9 n ASN 365 Ca -0.11 -3.75 -0.28 0.00 -0.03 0.00 0.00 54.58 50.40 3gr9 n ASN 365 Cb 0.73 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 3gr9 n ASN 365 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gr9 s GLY 366 N -2.30 1.50 0.21 7.41 0.00 -0.05 -1.52 107.32 112.57 3gr9 s GLY 366 Ca 0.50 -1.41 -0.14 0.00 0.00 0.00 0.00 44.72 43.68 3gr9 s GLY 366 CO 0.02 -1.38 0.44 0.48 0.00 0.00 0.00 173.10 172.66 3gr9 s LEU 367 N -1.95 0.41 -0.02 0.66 -0.00 -0.65 -4.35 118.68 112.78 3gr9 s LEU 367 Ca 0.12 -0.75 -0.08 0.00 -0.00 0.00 0.00 54.13 53.43 3gr9 s LEU 367 Cb -0.10 1.75 0.01 0.00 -0.00 0.00 0.00 46.19 47.85 3gr9 s LEU 367 CO 0.05 -1.04 0.17 0.12 -0.00 0.00 0.00 176.35 175.65 3gr9 s PHE 368 N -3.95 -0.05 -0.01 3.48 2.19 0.69 -1.70 117.98 118.63 3gr9 s PHE 368 Ca 0.16 0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.52 3gr9 s PHE 368 Cb 0.00 -0.00 -0.01 0.00 -1.31 0.00 0.00 43.02 41.70 3gr9 s PHE 368 CO 0.02 -0.25 -0.09 0.14 1.83 0.00 0.00 175.22 176.87 3gr9 s VAL 369 N -1.00 0.73 1.07 3.12 -7.23 0.26 -1.22 120.40 116.13 3gr9 s VAL 369 Ca -0.11 -0.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.52 3gr9 s VAL 369 Cb -0.06 -0.61 0.22 0.00 0.56 0.00 0.00 36.38 36.49 3gr9 s VAL 369 CO 0.02 0.21 1.10 -0.83 -0.31 0.00 0.00 175.10 175.28 3gr9 s GLY 370 N -0.21 1.57 -0.16 2.32 0.00 -1.26 0.41 107.32 109.99 3gr9 s GLY 370 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 44.72 44.17 3gr9 s GLY 370 CO -0.00 0.15 0.15 0.21 0.00 0.00 0.00 173.10 173.61 3gr9 s ASN 371 N -3.57 1.63 0.45 1.64 2.47 -1.23 -4.50 114.94 111.82 3gr9 s ASN 371 Ca 0.67 -0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.71 3gr9 s ASN 371 Cb -0.16 0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.74 3gr9 s ASN 371 CO 0.57 -0.32 0.65 -1.00 -3.72 0.00 0.00 177.10 173.28 3gr9 s HIS 372 N 2.24 3.12 -0.26 0.43 3.76 -1.26 -4.69 115.29 118.63 3gr9 s HIS 372 Ca 0.04 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3gr9 s HIS 372 Cb -0.15 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.20 3gr9 s HIS 372 CO -0.09 -0.40 0.72 0.00 -0.85 0.00 0.00 174.74 174.12 3gr9 n GLN 373 N -2.04 0.82 -4.53 1.40 0.00 -1.26 -4.57 117.38 107.20 3gr9 n GLN 373 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 57.00 56.78 3gr9 n GLN 373 Cb 0.58 -1.17 -0.11 0.00 0.00 0.00 0.00 30.24 29.54 3gr9 n GLN 373 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3gr9 s ILE 374 N -0.13 1.91 -0.23 -0.39 -4.36 -1.26 -4.78 121.20 111.95 3gr9 s ILE 374 Ca 0.00 -2.10 -0.29 0.00 -0.26 0.00 0.00 60.65 58.00 3gr9 s ILE 374 Cb 0.00 -2.73 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 3gr9 s ILE 374 CO 0.00 -0.14 1.20 -1.83 0.24 0.00 0.00 174.94 174.41 3gr9 s GLU 375 N -3.70 4.15 -0.30 0.37 1.03 -1.26 -4.85 118.70 114.14 3gr9 s GLU 375 Ca 0.33 1.43 0.11 0.00 0.03 0.00 0.00 54.97 56.87 3gr9 s GLU 375 Cb 0.06 -3.76 0.63 0.00 -0.80 0.00 0.00 34.13 30.26 3gr9 s GLU 375 CO 0.16 -0.81 1.65 1.28 -1.33 0.00 0.00 175.26 176.22 3gr9 n LEU 376 N 6.80 5.20 -0.12 1.83 4.77 -1.26 -4.81 117.00 129.41 3gr9 n LEU 376 Ca 0.13 -3.35 -0.07 0.00 -0.03 0.00 0.00 56.01 52.70 3gr9 n LEU 376 Cb 0.46 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3gr9 n LEU 376 CO 0.57 0.91 0.66 -0.26 -1.33 0.00 0.00 177.39 177.94 3gr9 h PHE 377 N 1.90 -0.80 0.11 -1.77 0.04 -1.93 0.54 116.94 115.03 3gr9 h PHE 377 Ca 0.23 0.06 -0.29 0.00 2.80 0.00 0.00 57.97 60.77 3gr9 h PHE 377 Cb 2.03 0.41 -0.00 0.00 2.20 0.00 0.00 35.95 40.59 3gr9 h PHE 377 CO 1.08 -0.36 -1.38 -0.44 -0.60 0.00 0.00 178.31 176.61 3gr9 h ASP 378 N -0.22 0.38 -0.91 2.17 3.32 -1.99 -0.85 116.42 118.33 3gr9 h ASP 378 Ca 0.18 -0.46 0.10 0.00 0.02 0.00 0.00 57.03 56.88 3gr9 h ASP 378 Cb 0.52 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.88 3gr9 h ASP 378 CO -0.54 1.37 0.58 -0.33 -1.72 0.00 0.00 179.24 178.61 3gr9 h GLU 379 N 0.07 0.86 -0.15 3.56 3.07 -1.87 0.48 114.58 120.60 3gr9 h GLU 379 Ca -0.18 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 3gr9 h GLU 379 Cb 1.98 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.69 3gr9 h GLU 379 CO 0.18 0.57 0.04 0.82 -1.40 0.00 0.00 179.01 179.22 3gr9 h ILE 380 N 0.89 1.19 -0.61 3.13 2.04 0.59 1.06 117.51 125.80 3gr9 h ILE 380 Ca 0.43 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3gr9 h ILE 380 Cb 0.44 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3gr9 h ILE 380 CO -0.19 0.18 0.32 0.44 0.00 0.00 0.00 178.15 178.90 3gr9 h ASP 381 N 0.05 0.78 0.30 1.72 3.32 0.37 0.22 116.42 123.18 3gr9 h ASP 381 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gr9 h ASP 381 Cb 0.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3gr9 h ASP 381 CO -0.00 0.67 -0.44 0.22 -1.72 0.00 0.00 179.24 177.97 3gr9 h TYR 382 N 0.83 -1.21 -1.00 4.55 5.03 0.04 -0.66 116.97 124.55 3gr9 h TYR 382 Ca 0.21 0.02 0.35 0.00 2.58 0.00 0.00 58.73 61.89 3gr9 h TYR 382 Cb 0.08 0.49 -0.16 0.00 1.55 0.00 0.00 36.73 38.69 3gr9 h TYR 382 CO -0.01 -0.57 0.54 1.25 -1.32 0.00 0.00 178.16 178.05 3gr9 h LEU 383 N -0.79 0.42 -0.03 2.82 5.85 0.21 0.64 115.31 124.42 3gr9 h LEU 383 Ca -0.02 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3gr9 h LEU 383 Cb 0.74 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3gr9 h LEU 383 CO -0.14 -0.24 0.00 -0.09 -0.34 0.00 0.00 178.44 177.63 3gr9 h ARG 384 N 0.21 0.00 0.09 1.25 9.65 0.48 -3.14 114.38 122.91 3gr9 h ARG 384 Ca 0.76 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 59.36 3gr9 h ARG 384 Cb 1.83 0.00 0.03 0.00 -1.39 0.00 0.00 29.97 30.44 3gr9 h ARG 384 CO -0.67 0.00 -1.19 0.93 2.80 0.00 0.00 179.97 181.85 3gr9 h GLU 385 N 0.00 0.63 -0.70 0.20 4.39 0.13 -3.08 114.58 116.14 3gr9 h GLU 385 Ca 0.00 -0.79 -0.07 0.00 0.34 0.00 0.00 59.36 58.84 3gr9 h GLU 385 Cb 0.90 0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3gr9 h GLU 385 CO 0.00 1.35 0.17 0.28 -1.16 0.00 0.00 179.01 179.65 3gr9 h VAL 386 N 0.30 1.26 -3.28 3.13 2.07 -1.40 -3.38 116.25 114.95 3gr9 h VAL 386 Ca -0.17 -0.97 -0.54 0.00 0.82 0.00 0.00 66.70 65.84 3gr9 h VAL 386 Cb 1.85 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3gr9 h VAL 386 CO 0.23 0.37 0.49 -0.76 0.02 0.00 0.00 177.57 177.92 3gr9 s LEU 387 N -9.54 4.35 0.00 2.57 1.43 -1.16 -5.07 118.68 111.25 3gr9 s LEU 387 Ca -0.12 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.77 3gr9 s LEU 387 Cb 0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3gr9 s LEU 387 CO 0.84 -0.39 0.00 0.29 0.23 0.00 0.00 176.35 177.32