#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 6.81 0.00 -3.46 0.15 -1.26 -4.90 113.70 111.04 3gr9 s SER 9 Ca 0.00 2.07 0.24 0.00 0.70 0.00 0.00 55.95 58.96 3gr9 s SER 9 Cb 0.00 -2.55 0.34 0.00 -1.71 0.00 0.00 66.02 62.11 3gr9 s SER 9 CO 0.00 -0.79 1.30 0.35 1.20 0.00 0.00 173.24 175.30 3gr9 n THR 10 N 5.04 0.00 -2.88 6.45 -2.24 -1.26 -4.97 114.28 114.42 3gr9 n THR 10 Ca 0.14 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 3gr9 n THR 10 Cb 0.44 0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.69 3.83 0.00 4.78 0.52 -1.26 -5.06 118.94 119.06 3gr9 s TRP 11 Ca 0.17 1.72 0.00 0.00 0.02 0.00 0.00 56.10 58.01 3gr9 s TRP 11 Cb 0.18 -2.85 0.00 0.00 -1.15 0.00 0.00 33.47 29.65 3gr9 s TRP 11 CO 0.63 0.38 0.00 -0.40 0.02 0.00 0.00 176.95 177.59 3gr9 n ASP 12 N 1.12 1.57 0.21 2.95 5.68 -1.26 -5.03 116.55 121.79 3gr9 n ASP 12 Ca -0.02 -0.99 0.10 0.00 -0.50 0.00 0.00 54.79 53.38 3gr9 n ASP 12 Cb 0.49 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.12 3gr9 n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3gr9 h ASP 13 N 0.00 0.01 -0.72 -1.12 3.58 -2.00 -2.53 116.42 113.64 3gr9 h ASP 13 Ca 0.00 -0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 3gr9 h ASP 13 Cb 0.00 -0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.97 3gr9 h ASP 13 CO 0.00 0.00 0.35 -0.07 -2.88 0.00 0.00 179.24 176.65 3gr9 h LEU 14 N 0.01 0.45 -0.44 2.28 3.38 -1.97 0.87 115.31 119.88 3gr9 h LEU 14 Ca 0.05 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gr9 h LEU 14 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3gr9 h LEU 14 CO -0.00 0.25 0.24 -0.33 0.09 0.00 0.00 178.44 178.69 3gr9 h GLU 15 N 0.59 0.47 -0.57 1.13 3.07 -1.83 1.11 114.58 118.55 3gr9 h GLU 15 Ca 0.36 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 59.12 3gr9 h GLU 15 Cb 0.40 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3gr9 h GLU 15 CO -0.28 0.31 0.06 1.88 -1.40 0.00 0.00 179.01 179.58 3gr9 h TYR 16 N 0.49 1.03 -0.36 4.33 -1.99 -0.69 -2.11 116.97 117.66 3gr9 h TYR 16 Ca 0.18 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.79 3gr9 h TYR 16 Cb 0.05 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 3gr9 h TYR 16 CO -0.08 0.91 0.16 0.87 -0.00 0.00 0.00 178.16 180.02 3gr9 h LYS 17 N 0.85 0.33 -0.72 4.88 1.57 0.11 -2.12 116.57 121.47 3gr9 h LYS 17 Ca 0.17 -0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.09 3gr9 h LYS 17 Cb 0.46 -0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 3gr9 h LYS 17 CO 0.02 0.22 -0.03 0.00 -0.57 0.00 0.00 179.45 179.08 3gr9 h ALA 18 N 1.20 0.69 -1.01 3.86 0.00 0.19 -0.29 119.26 123.91 3gr9 h ALA 18 Ca 0.16 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.32 3gr9 h ALA 18 Cb 0.09 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3gr9 h ALA 18 CO -0.13 -0.42 0.67 0.82 0.00 0.00 0.00 179.25 180.19 3gr9 h ILE 19 N 0.08 1.25 -0.77 0.00 2.04 -0.77 -2.73 117.51 116.61 3gr9 h ILE 19 Ca 0.38 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 3gr9 h ILE 19 Cb 0.65 -0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 3gr9 h ILE 19 CO -0.66 0.25 0.29 1.56 0.00 0.00 0.00 178.15 179.59 3gr9 h GLN 20 N 1.35 1.15 -0.38 2.37 1.08 -0.85 -0.75 115.11 119.09 3gr9 h GLN 20 Ca 0.37 -0.21 0.02 0.00 -1.45 0.00 0.00 58.65 57.38 3gr9 h GLN 20 Cb -0.13 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.08 3gr9 h GLN 20 CO -0.09 0.94 0.21 0.77 -0.95 0.00 0.00 178.83 179.71 3gr9 h SER 21 N 1.12 0.32 -0.47 1.46 0.02 -1.15 0.85 113.55 115.70 3gr9 h SER 21 Ca 0.25 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3gr9 h SER 21 Cb 0.23 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3gr9 h SER 21 CO -0.02 0.24 0.26 0.58 -1.14 0.00 0.00 176.83 176.75 3gr9 h VAL 22 N 0.42 1.16 -0.89 2.27 2.07 -1.33 -1.62 116.25 118.34 3gr9 h VAL 22 Ca 0.16 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.27 3gr9 h VAL 22 Cb 0.04 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3gr9 h VAL 22 CO -0.09 0.17 0.59 -0.07 0.02 0.00 0.00 177.57 178.19 3gr9 h LEU 23 N 0.62 1.03 -0.99 2.57 3.38 0.11 -2.66 115.31 119.36 3gr9 h LEU 23 Ca 0.16 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 3gr9 h LEU 23 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3gr9 h LEU 23 CO -0.03 0.74 -0.43 0.44 0.09 0.00 0.00 178.44 179.26 3gr9 h ASP 24 N 1.21 0.00 1.41 -0.43 3.32 0.10 -2.41 116.42 119.62 3gr9 h ASP 24 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3gr9 h ASP 24 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3gr9 h ASP 24 CO -0.07 0.43 -0.17 0.77 -1.72 0.00 0.00 179.24 178.48 3gr9 h SER 25 N 0.00 0.00 0.00 6.45 4.64 -0.98 -3.47 113.55 120.19 3gr9 h SER 25 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3gr9 h SER 25 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3gr9 h SER 25 CO 0.06 0.02 0.00 1.17 -0.87 0.00 0.00 176.83 177.21 3gr9 n LYS 26 N -2.37 -1.00 -3.62 4.77 3.00 -0.91 -4.98 118.16 113.05 3gr9 n LYS 26 Ca 0.05 0.25 -0.40 0.00 -0.00 0.00 0.00 58.31 58.21 3gr9 n LYS 26 Cb 0.45 -4.02 -0.10 0.00 0.00 0.00 0.00 35.03 31.36 3gr9 n LYS 26 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3gr9 s MET 27 N -1.01 2.64 0.00 1.64 -1.94 -1.23 -4.93 119.30 114.46 3gr9 s MET 27 Ca 0.00 -1.36 0.17 0.00 -1.71 0.00 0.00 55.69 52.79 3gr9 s MET 27 Cb 0.00 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 3gr9 s MET 27 CO 0.00 -0.87 0.87 1.19 -0.01 0.00 0.00 175.02 176.19 3gr9 n PHE 28 N 4.92 0.00 -3.17 -0.03 3.72 -1.26 -4.84 117.46 116.80 3gr9 n PHE 28 Ca -0.11 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.96 3gr9 n PHE 28 Cb 0.44 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.11 4.68 -0.46 4.37 2.01 -1.26 -2.73 115.64 120.14 3gr9 s THR 29 Ca 0.13 0.98 -0.43 0.00 0.31 0.00 0.00 61.69 62.68 3gr9 s THR 29 Cb 0.14 -3.68 -0.18 0.00 0.01 0.00 0.00 72.50 68.79 3gr9 s THR 29 CO 0.48 -0.06 1.59 0.80 -0.69 0.00 0.00 174.62 176.75 3gr9 n MET 30 N -0.02 0.00 0.00 4.92 1.56 -1.26 -4.36 117.12 117.95 3gr9 n MET 30 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 3gr9 n MET 30 Cb 0.52 -1.39 0.00 0.00 2.15 0.00 0.00 33.22 34.50 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 4.41 2.28 0.37 -5.12 0.00 -1.26 -4.97 105.19 100.90 3gr9 n GLY 31 Ca 0.34 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 3gr9 n GLY 31 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gr9 h GLU 32 N 0.00 -0.72 -0.41 1.61 4.57 -1.97 0.28 114.58 117.95 3gr9 h GLU 32 Ca 0.00 0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 3gr9 h GLU 32 Cb 0.00 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3gr9 h GLU 32 CO 0.00 -0.48 0.28 1.88 -1.18 0.00 0.00 179.01 179.51 3gr9 h TYR 33 N -0.74 0.22 -0.04 0.92 0.05 -1.94 0.56 116.97 116.00 3gr9 h TYR 33 Ca -0.03 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3gr9 h TYR 33 Cb 0.66 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.33 3gr9 h TYR 33 CO -0.18 0.11 -0.18 0.28 -1.05 0.00 0.00 178.16 177.15 3gr9 h VAL 34 N 0.21 1.47 -0.26 -2.88 2.07 -1.72 0.11 116.25 115.25 3gr9 h VAL 34 Ca 0.19 -1.65 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 3gr9 h VAL 34 Cb 0.46 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3gr9 h VAL 34 CO -0.03 0.45 -0.19 0.50 0.02 0.00 0.00 177.57 178.32 3gr9 h LYS 35 N -0.38 0.46 -0.58 1.57 3.64 0.13 -0.81 116.57 120.60 3gr9 h LYS 35 Ca -0.01 -0.15 -0.08 0.00 -1.27 0.00 0.00 60.65 59.14 3gr9 h LYS 35 Cb 0.83 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 3gr9 h LYS 35 CO 0.04 0.63 0.06 0.37 -2.27 0.00 0.00 179.45 178.28 3gr9 h GLN 36 N 0.42 0.99 -0.69 1.90 4.15 0.06 -2.98 115.11 118.95 3gr9 h GLN 36 Ca 0.07 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 3gr9 h GLN 36 Cb 0.57 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 3gr9 h GLN 36 CO 0.04 0.95 0.29 -0.92 -1.93 0.00 0.00 178.83 177.26 3gr9 h TYR 37 N 0.88 1.03 -0.58 3.99 3.20 0.54 -2.84 116.97 123.19 3gr9 h TYR 37 Ca 0.17 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3gr9 h TYR 37 Cb 0.47 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3gr9 h TYR 37 CO 0.03 0.78 0.11 0.93 -1.64 0.00 0.00 178.16 178.37 3gr9 h GLU 38 N 1.00 0.95 0.73 1.82 5.08 -1.13 0.18 114.58 123.21 3gr9 h GLU 38 Ca 0.24 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3gr9 h GLU 38 Cb 0.18 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.32 3gr9 h GLU 38 CO -0.02 0.90 -0.35 1.15 -1.00 0.00 0.00 179.01 179.68 3gr9 h THR 39 N 0.85 0.22 -0.23 1.13 2.02 -1.46 0.58 112.91 116.02 3gr9 h THR 39 Ca 0.18 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.28 3gr9 h THR 39 Cb 0.40 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.01 3gr9 h THR 39 CO 0.01 0.01 -0.13 -0.61 0.37 0.00 0.00 175.52 175.18 3gr9 h GLN 40 N -1.08 -0.10 -0.48 6.66 4.15 -1.48 0.28 115.11 123.06 3gr9 h GLN 40 Ca -0.10 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.42 3gr9 h GLN 40 Cb 0.77 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.38 3gr9 h GLN 40 CO 0.16 -0.07 -0.27 0.35 -1.93 0.00 0.00 178.83 177.08 3gr9 h PHE 41 N -0.11 -0.71 0.34 3.99 3.04 -0.78 2.66 116.94 125.37 3gr9 h PHE 41 Ca 0.13 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 3gr9 h PHE 41 Cb 0.29 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 3gr9 h PHE 41 CO -0.29 -0.34 -0.32 0.00 -2.02 0.00 0.00 178.31 175.33 3gr9 h ALA 42 N 1.06 -0.69 -0.84 2.41 0.00 -0.18 -1.14 119.26 119.88 3gr9 h ALA 42 Ca 0.22 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3gr9 h ALA 42 Cb 0.51 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3gr9 h ALA 42 CO -0.58 -0.92 0.55 0.87 0.00 0.00 0.00 179.25 179.17 3gr9 h LYS 43 N -0.68 0.73 -0.53 0.00 1.57 0.13 0.18 116.57 117.98 3gr9 h LYS 43 Ca -0.02 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3gr9 h LYS 43 Cb 0.61 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3gr9 h LYS 43 CO -0.05 0.48 -0.03 1.15 -0.57 0.00 0.00 179.45 180.44 3gr9 h THR 44 N 0.75 1.26 -0.64 -0.16 2.02 0.55 -3.06 112.91 113.63 3gr9 h THR 44 Ca 0.40 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3gr9 h THR 44 Cb 0.51 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3gr9 h THR 44 CO -0.16 0.40 0.00 0.49 0.37 0.00 0.00 175.52 176.61 3gr9 n PHE 45 N -4.18 1.05 -2.39 3.16 3.01 0.35 -4.93 117.46 113.52 3gr9 n PHE 45 Ca 0.02 -0.54 -0.13 0.00 1.01 0.00 0.00 57.45 57.81 3gr9 n PHE 45 Cb 0.34 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 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 1.29 -0.12 3.84 1.37 0.00 0.33 -4.70 105.19 107.20 3gr9 n GLY 46 Ca 0.23 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3gr9 n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gr9 s SER 47 N -2.55 5.77 0.16 1.61 0.15 -0.90 -5.02 113.70 112.92 3gr9 s SER 47 Ca 0.06 -0.02 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 3gr9 s SER 47 Cb -0.03 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 3gr9 s SER 47 CO 0.07 0.08 1.47 0.50 1.20 0.00 0.00 173.24 176.57 3gr9 h LYS 48 N 2.48 0.80 -4.31 5.44 3.64 -1.88 -3.40 116.57 119.35 3gr9 h LYS 48 Ca -0.48 -0.47 -0.22 0.00 -1.27 0.00 0.00 60.65 58.22 3gr9 h LYS 48 Cb 1.19 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.84 3gr9 h LYS 48 CO 0.65 1.10 -0.71 0.71 -2.27 0.00 0.00 179.45 178.93 3gr9 s TYR 49 N -4.21 0.50 -0.02 1.91 2.02 0.32 -4.98 117.35 112.88 3gr9 s TYR 49 Ca -0.10 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 56.02 3gr9 s TYR 49 Cb 0.11 -0.32 0.01 0.00 -0.40 0.00 0.00 41.96 41.36 3gr9 s TYR 49 CO 0.87 -0.15 0.06 0.00 -1.57 0.00 0.00 175.55 174.76 3gr9 s ALA 50 N -1.66 -0.14 -0.04 3.71 0.00 -1.26 -0.44 121.76 121.92 3gr9 s ALA 50 Ca -0.10 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.08 3gr9 s ALA 50 Cb -0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3gr9 s ALA 50 CO -0.01 -0.03 -0.22 0.08 0.00 0.00 0.00 175.76 175.58 3gr9 s VAL 51 N 0.06 1.79 0.04 0.00 1.01 0.32 -4.85 120.40 118.77 3gr9 s VAL 51 Ca -0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 3gr9 s VAL 51 Cb -0.01 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3gr9 s VAL 51 CO -0.00 0.50 0.18 -0.32 0.00 0.00 0.00 175.10 175.46 3gr9 s MET 52 N -0.17 3.35 0.35 2.72 1.75 -1.26 -1.22 119.30 124.82 3gr9 s MET 52 Ca -0.01 -0.44 -0.05 0.00 -1.25 0.00 0.00 55.69 53.94 3gr9 s MET 52 Cb -0.12 -3.01 0.01 0.00 2.84 0.00 0.00 34.83 34.55 3gr9 s MET 52 CO 0.02 0.62 0.52 0.14 -0.65 0.00 0.00 175.02 175.68 3gr9 s VAL 53 N -1.43 0.00 0.38 10.11 -7.23 -0.16 -4.57 120.40 117.50 3gr9 s VAL 53 Ca 0.32 -1.50 0.07 0.00 -1.81 0.00 0.00 61.98 59.06 3gr9 s VAL 53 Cb -0.13 -2.67 0.30 0.00 0.56 0.00 0.00 36.38 34.44 3gr9 s VAL 53 CO 0.24 0.00 1.96 0.77 -0.31 0.00 0.00 175.10 177.77 3gr9 h SER 54 N 2.09 0.61 -5.09 4.85 4.64 -1.43 -1.57 113.55 117.65 3gr9 h SER 54 Ca -0.29 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.13 3gr9 h SER 54 Cb 1.24 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3gr9 h SER 54 CO 0.39 0.39 0.30 -0.94 -0.87 0.00 0.00 176.83 176.10 3gr9 s SER 55 N -6.22 -0.22 0.51 4.97 1.04 -1.26 -2.13 113.70 110.39 3gr9 s SER 55 Ca -0.09 -0.59 0.24 0.00 0.48 0.00 0.00 55.95 55.98 3gr9 s SER 55 Cb 0.19 0.67 1.36 0.00 0.10 0.00 0.00 66.02 68.35 3gr9 s SER 55 CO 0.77 -1.25 2.08 1.23 0.98 0.00 0.00 173.24 177.05 3gr9 h GLY 56 N 2.00 0.00 1.15 7.32 0.00 -1.74 -0.56 103.07 111.24 3gr9 h GLY 56 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.90 3gr9 h GLY 56 CO 0.25 0.00 -0.78 1.76 0.00 0.00 0.00 176.54 177.77 3gr9 h SER 57 N 0.00 0.92 1.12 0.19 0.02 -1.91 -1.87 113.55 112.02 3gr9 h SER 57 Ca -0.00 -0.64 -0.07 0.00 -0.84 0.00 0.00 61.79 60.24 3gr9 h SER 57 Cb 0.28 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3gr9 h SER 57 CO 0.02 1.41 -0.34 0.71 -1.14 0.00 0.00 176.83 177.49 3gr9 h THR 58 N 0.49 0.71 -0.08 -2.27 1.35 -1.79 -1.51 112.91 109.81 3gr9 h THR 58 Ca -0.06 -1.55 -0.01 0.00 -0.55 0.00 0.00 66.41 64.24 3gr9 h THR 58 Cb 1.41 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3gr9 h THR 58 CO 0.16 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.77 3gr9 h ALA 59 N 1.66 0.11 -0.26 6.62 0.00 -0.96 -1.40 119.26 125.04 3gr9 h ALA 59 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gr9 h ALA 59 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gr9 h ALA 59 CO 0.04 -0.22 0.17 -0.91 0.00 0.00 0.00 179.25 178.34 3gr9 h ASN 60 N -0.12 0.29 -0.41 0.00 2.35 -1.03 -0.13 115.58 116.53 3gr9 h ASN 60 Ca 0.02 -0.01 0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3gr9 h ASN 60 Cb 0.33 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.54 3gr9 h ASN 60 CO 0.00 0.22 -0.20 0.25 -1.65 0.00 0.00 177.43 176.05 3gr9 h LEU 61 N 0.34 -0.68 -0.96 1.61 5.85 -1.17 -1.49 115.31 118.81 3gr9 h LEU 61 Ca 0.09 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 3gr9 h LEU 61 Cb -0.03 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3gr9 h LEU 61 CO -0.02 -0.23 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.74 3gr9 h LEU 62 N -0.12 0.69 -0.21 2.25 3.38 -0.92 -2.54 115.31 117.83 3gr9 h LEU 62 Ca 0.20 -0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3gr9 h LEU 62 Cb 0.43 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3gr9 h LEU 62 CO -0.49 0.78 -0.08 -0.03 0.09 0.00 0.00 178.44 178.71 3gr9 h MET 63 N 0.66 -0.04 -0.53 1.13 4.05 0.05 -1.88 114.93 118.37 3gr9 h MET 63 Ca 0.13 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3gr9 h MET 63 Cb 0.47 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 3gr9 h MET 63 CO 0.02 -0.03 -0.05 0.82 0.23 0.00 0.00 176.91 177.90 3gr9 h ILE 64 N -0.04 1.27 -0.47 1.77 1.08 -1.42 -3.22 117.51 116.47 3gr9 h ILE 64 Ca 0.11 -1.18 -0.09 0.00 -0.39 0.00 0.00 64.86 63.30 3gr9 h ILE 64 Cb 0.21 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 3gr9 h ILE 64 CO -0.24 0.42 -0.08 0.00 -0.69 0.00 0.00 178.15 177.55 3gr9 h ALA 65 N 0.93 0.96 -0.50 1.87 0.00 -1.32 -2.89 119.26 118.32 3gr9 h ALA 65 Ca 0.14 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.81 3gr9 h ALA 65 Cb 0.60 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3gr9 h ALA 65 CO 0.04 0.62 0.16 0.00 0.00 0.00 0.00 179.25 180.06 3gr9 h ALA 66 N 1.13 0.61 -0.07 0.00 0.00 -1.35 -1.64 119.26 117.95 3gr9 h ALA 66 Ca 0.13 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gr9 h ALA 66 Cb 0.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gr9 h ALA 66 CO 0.04 -0.24 0.35 -0.07 0.00 0.00 0.00 179.25 179.33 3gr9 h LEU 67 N 0.33 0.00 0.00 0.00 3.38 -1.58 -0.18 115.31 117.25 3gr9 h LEU 67 Ca 0.25 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 3gr9 h LEU 67 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gr9 h LEU 67 CO -0.27 0.00 -1.02 -0.26 0.09 0.00 0.00 178.44 176.99 3gr9 h PHE 68 N 0.00 0.00 -0.71 1.13 -1.00 -1.39 -1.07 116.94 113.91 3gr9 h PHE 68 Ca 0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3gr9 h PHE 68 Cb 0.73 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.29 3gr9 h PHE 68 CO 0.00 0.32 0.00 1.19 -1.61 0.00 0.00 178.31 178.21 3gr9 n PHE 69 N -2.89 0.94 -2.19 -0.55 3.72 -0.08 -4.65 117.46 111.75 3gr9 n PHE 69 Ca -0.03 -0.47 -0.37 0.00 -0.05 0.00 0.00 57.45 56.52 3gr9 n PHE 69 Cb 0.70 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.06 2.96 0.39 4.37 -4.23 -1.21 -4.86 115.64 112.01 3gr9 s THR 70 Ca 0.47 0.74 0.18 0.00 -1.18 0.00 0.00 61.69 61.90 3gr9 s THR 70 Cb 0.24 -3.38 0.39 0.00 1.34 0.00 0.00 72.50 71.09 3gr9 s THR 70 CO 0.32 0.00 1.77 0.11 -0.54 0.00 0.00 174.62 176.28 3gr9 h LYS 71 N 2.07 0.40 -4.60 3.99 1.79 -1.93 -2.25 116.57 116.04 3gr9 h LYS 71 Ca -0.49 -0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 57.27 3gr9 h LYS 71 Cb 1.25 -0.09 -0.35 0.00 -1.58 0.00 0.00 32.23 31.47 3gr9 h LYS 71 CO 0.60 0.26 -0.62 0.21 -1.08 0.00 0.00 179.45 178.83 3gr9 s LYS 72 N -5.51 2.06 -0.03 3.15 2.20 -1.26 -5.07 119.74 115.29 3gr9 s LYS 72 Ca -0.09 -1.66 -0.29 0.00 -0.36 0.00 0.00 55.97 53.57 3gr9 s LYS 72 Cb 0.25 -3.42 -0.08 0.00 -1.51 0.00 0.00 37.83 33.08 3gr9 s LYS 72 CO 0.80 -0.92 2.05 -2.30 -0.36 0.00 0.00 175.35 174.61 3gr9 n PRO 73 N 4.56 2.65 0.24 4.03 -0.02 -0.85 -4.85 135.00 140.75 3gr9 n PRO 73 Ca -0.05 0.92 0.16 0.00 -2.02 0.00 0.00 63.50 62.52 3gr9 n PRO 73 Cb 0.42 -3.08 0.81 0.00 -0.02 0.00 0.00 33.50 31.63 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 11.82 0.00 -3.51 -0.52 2.47 -1.50 -3.44 114.38 119.70 3gr9 h ARG 74 Ca -0.48 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.17 3gr9 h ARG 74 Cb 1.24 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.42 3gr9 h ARG 74 CO 0.95 0.00 -0.22 -0.51 0.56 0.00 0.00 179.97 180.75 3gr9 s LEU 75 N -5.39 0.87 0.14 3.04 1.43 -0.90 -5.02 118.68 112.86 3gr9 s LEU 75 Ca -0.01 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3gr9 s LEU 75 Cb 0.10 1.44 -0.03 0.00 0.03 0.00 0.00 46.19 47.72 3gr9 s LEU 75 CO 0.37 -0.75 0.13 -1.59 0.23 0.00 0.00 176.35 174.74 3gr9 s LYS 76 N -3.50 1.01 0.30 1.70 -2.85 -1.26 -4.50 119.74 110.64 3gr9 s LYS 76 Ca 0.02 -1.37 -0.29 0.00 -1.00 0.00 0.00 55.97 53.32 3gr9 s LYS 76 Cb 0.02 0.28 -0.13 0.00 -2.06 0.00 0.00 37.83 35.95 3gr9 s LYS 76 CO -0.09 -0.32 1.37 1.17 0.10 0.00 0.00 175.35 177.57 3gr9 n LYS 77 N -0.14 2.17 0.00 1.78 4.81 -1.26 -1.02 118.16 124.50 3gr9 n LYS 77 Ca -0.06 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 3gr9 n LYS 77 Cb 0.64 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.29 3gr9 n LYS 77 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gr9 n GLY 78 N 1.38 3.09 3.58 3.14 0.00 0.25 -4.99 105.19 111.65 3gr9 n GLY 78 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3gr9 n GLY 78 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr9 n ASP 79 N 0.09 0.94 -4.80 1.61 9.92 -0.19 -3.92 116.55 120.21 3gr9 n ASP 79 Ca 0.00 1.03 -0.38 0.00 -0.53 0.00 0.00 54.79 54.91 3gr9 n ASP 79 Cb 0.00 -1.31 -0.06 0.00 -0.64 0.00 0.00 41.12 39.11 3gr9 n ASP 79 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3gr9 s GLU 80 N -1.91 4.11 -0.11 -1.24 2.12 -1.25 0.13 118.70 120.56 3gr9 s GLU 80 Ca 0.63 0.56 -0.08 0.00 0.36 0.00 0.00 54.97 56.44 3gr9 s GLU 80 Cb -0.58 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 30.58 3gr9 s GLU 80 CO 0.57 0.57 0.27 -1.50 -0.54 0.00 0.00 175.26 174.64 3gr9 s ILE 81 N -0.78 -0.02 0.01 -3.70 2.07 0.81 -0.51 121.20 119.08 3gr9 s ILE 81 Ca 0.26 0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.41 3gr9 s ILE 81 Cb -0.18 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 41.96 3gr9 s ILE 81 CO 0.15 0.02 0.42 -0.63 -1.91 0.00 0.00 174.94 172.99 3gr9 s ILE 82 N 0.61 5.01 0.01 2.00 1.01 -0.34 -1.58 121.20 127.92 3gr9 s ILE 82 Ca -0.04 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 3gr9 s ILE 82 Cb -0.05 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3gr9 s ILE 82 CO -0.04 0.57 0.05 0.68 0.00 0.00 0.00 174.94 176.21 3gr9 s VAL 83 N -1.09 0.10 0.49 2.92 -7.23 -0.95 -0.28 120.40 114.36 3gr9 s VAL 83 Ca 0.24 -0.82 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 3gr9 s VAL 83 Cb -0.17 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 3gr9 s VAL 83 CO 0.14 -0.45 0.90 -2.16 -0.31 0.00 0.00 175.10 173.22 3gr9 s PRO 84 N -1.46 3.82 0.00 4.82 0.04 -1.26 -0.76 135.00 140.20 3gr9 s PRO 84 Ca -0.15 0.71 0.16 0.00 0.04 0.00 0.00 61.00 61.76 3gr9 s PRO 84 Cb -0.09 -2.23 0.72 0.00 0.04 0.00 0.00 34.50 32.94 3gr9 s PRO 84 CO 0.00 -0.22 1.52 0.00 0.04 0.00 0.00 177.00 178.33 3gr9 n ALA 85 N -1.68 1.77 -4.06 8.56 0.00 0.18 -4.65 120.51 120.64 3gr9 n ALA 85 Ca 0.05 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 3gr9 n ALA 85 Cb 0.54 -1.26 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.93 1.93 0.14 0.00 1.01 -1.26 -1.49 120.40 117.78 3gr9 s VAL 86 Ca 0.09 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.70 3gr9 s VAL 86 Cb 0.11 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.66 3gr9 s VAL 86 CO 0.29 0.26 1.10 -0.55 0.00 0.00 0.00 175.10 176.20 3gr9 s SER 87 N 1.28 0.00 0.77 3.32 0.15 -1.26 -5.02 113.70 112.94 3gr9 s SER 87 Ca -0.01 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 55.98 3gr9 s SER 87 Cb -0.16 0.42 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 3gr9 s SER 87 CO -0.09 -0.83 1.10 0.86 1.20 0.00 0.00 173.24 175.48 3gr9 s TRP 88 N -2.16 2.52 0.30 3.44 -0.11 -1.26 -4.36 118.94 117.32 3gr9 s TRP 88 Ca 0.23 1.57 0.02 0.00 1.22 0.00 0.00 56.10 59.14 3gr9 s TRP 88 Cb -0.02 -3.08 0.49 0.00 -1.50 0.00 0.00 33.47 29.36 3gr9 s TRP 88 CO 0.04 -1.86 1.82 0.66 -4.62 0.00 0.00 176.95 172.99 3gr9 h SER 89 N -1.07 0.59 0.00 5.86 4.64 -2.01 -2.87 113.55 118.69 3gr9 h SER 89 Ca -0.44 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3gr9 h SER 89 Cb 1.23 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3gr9 h SER 89 CO 0.51 0.67 0.00 0.35 -0.87 0.00 0.00 176.83 177.49 3gr9 n THR 90 N -4.25 0.00 0.07 2.95 -2.24 -1.26 -1.85 114.28 107.70 3gr9 n THR 90 Ca 0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 3gr9 n THR 90 Cb 0.27 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.39 0.05 4.28 2.02 -1.88 -3.39 112.91 115.37 3gr9 h THR 91 Ca 0.00 -3.05 -0.31 0.00 0.77 0.00 0.00 66.41 63.82 3gr9 h THR 91 Cb 0.15 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.33 3gr9 h THR 91 CO 0.00 0.85 -1.74 1.88 0.37 0.00 0.00 175.52 176.89 3gr9 h TYR 92 N 0.04 0.18 -0.25 3.16 0.05 -1.56 -3.41 116.97 115.18 3gr9 h TYR 92 Ca -0.15 -0.13 0.05 0.00 0.05 0.00 0.00 58.73 58.56 3gr9 h TYR 92 Cb 1.93 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 39.61 3gr9 h TYR 92 CO 0.04 1.25 -0.09 1.88 -1.05 0.00 0.00 178.16 180.19 3gr9 h TYR 93 N 0.03 -0.20 -0.29 4.88 0.05 -1.76 -1.71 116.97 117.97 3gr9 h TYR 93 Ca -0.31 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.51 3gr9 h TYR 93 Cb 2.01 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.86 3gr9 h TYR 93 CO 0.03 -0.14 0.19 -1.35 -1.05 0.00 0.00 178.16 175.84 3gr9 h PRO 94 N -0.04 0.35 -0.18 4.88 0.11 -1.82 1.68 132.00 136.98 3gr9 h PRO 94 Ca 0.13 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.24 3gr9 h PRO 94 Cb 0.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3gr9 h PRO 94 CO -0.28 0.23 0.03 -0.07 -0.21 0.00 0.00 178.00 177.70 3gr9 h LEU 95 N 0.36 -0.01 0.59 2.35 3.38 -1.60 0.50 115.31 120.87 3gr9 h LEU 95 Ca 0.11 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3gr9 h LEU 95 Cb 0.00 0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gr9 h LEU 95 CO -0.02 0.02 -0.28 -0.61 0.09 0.00 0.00 178.44 177.63 3gr9 h GLN 96 N 0.10 -0.76 -0.00 1.13 -0.00 0.13 -2.72 115.11 112.98 3gr9 h GLN 96 Ca 0.08 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.79 3gr9 h GLN 96 Cb 0.08 0.17 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 3gr9 h GLN 96 CO -0.12 -0.45 0.33 1.96 0.00 0.00 0.00 178.83 180.55 3gr9 h GLN 97 N -1.07 0.00 -0.26 1.69 4.20 0.22 -0.37 115.11 119.53 3gr9 h GLN 97 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gr9 h GLN 97 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3gr9 h GLN 97 CO 0.13 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.95 3gr9 n TYR 98 N -2.90 0.33 -2.62 2.96 4.02 0.15 -4.95 117.16 114.16 3gr9 n TYR 98 Ca -0.02 -0.17 -0.11 0.00 -0.01 0.00 0.00 57.90 57.60 3gr9 n TYR 98 Cb 0.38 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.72 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 1.35 0.10 3.92 2.72 0.00 -0.15 -4.53 105.19 108.61 3gr9 n GLY 99 Ca 0.18 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.45 4.25 -0.14 0.99 1.43 -1.05 0.85 118.68 121.56 3gr9 s LEU 100 Ca 0.14 0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 3gr9 s LEU 100 Cb -0.06 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 3gr9 s LEU 100 CO 0.18 -0.01 0.61 -0.60 0.23 0.00 0.00 176.35 176.77 3gr9 s ARG 101 N -3.16 4.31 -0.17 1.70 6.06 0.35 -4.58 118.95 123.47 3gr9 s ARG 101 Ca 0.38 0.66 -0.05 0.00 -2.50 0.00 0.00 55.73 54.22 3gr9 s ARG 101 Cb -0.11 -3.50 -0.03 0.00 0.06 0.00 0.00 34.95 31.37 3gr9 s ARG 101 CO 0.28 -0.05 -0.01 0.08 -2.50 0.00 0.00 175.30 173.11 3gr9 s VAL 102 N 1.24 4.07 -0.41 7.11 1.01 -0.57 -0.13 120.40 132.73 3gr9 s VAL 102 Ca 0.31 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3gr9 s VAL 102 Cb -0.16 -2.81 0.08 0.00 0.00 0.00 0.00 36.38 33.49 3gr9 s VAL 102 CO 0.13 0.47 0.23 -0.75 0.00 0.00 0.00 175.10 175.18 3gr9 s LYS 103 N 0.52 2.53 0.11 2.72 2.20 -0.61 -0.86 119.74 126.36 3gr9 s LYS 103 Ca -0.01 -1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 53.83 3gr9 s LYS 103 Cb -0.14 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.42 3gr9 s LYS 103 CO 0.02 -0.93 1.02 -0.06 -0.36 0.00 0.00 175.35 175.05 3gr9 s PHE 104 N 1.38 3.70 -0.03 4.03 0.08 -0.28 -2.24 117.98 124.62 3gr9 s PHE 104 Ca 0.03 1.69 0.06 0.00 0.12 0.00 0.00 56.93 58.82 3gr9 s PHE 104 Cb -0.23 -3.16 -0.01 0.00 -0.57 0.00 0.00 43.02 39.06 3gr9 s PHE 104 CO 0.01 -0.17 -0.20 0.08 -0.10 0.00 0.00 175.22 174.84 3gr9 s VAL 105 N 0.15 1.58 0.59 -0.44 1.01 0.06 -0.28 120.40 123.06 3gr9 s VAL 105 Ca 0.49 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 3gr9 s VAL 105 Cb -0.25 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3gr9 s VAL 105 CO 0.31 0.45 1.19 -0.62 0.00 0.00 0.00 175.10 176.42 3gr9 s ASP 106 N -0.27 5.29 0.92 3.32 2.15 -1.26 -0.64 116.67 126.17 3gr9 s ASP 106 Ca 0.03 2.32 -0.14 0.00 0.43 0.00 0.00 52.55 55.20 3gr9 s ASP 106 Cb -0.10 -2.59 0.18 0.00 -0.30 0.00 0.00 42.92 40.11 3gr9 s ASP 106 CO 0.01 -1.52 1.27 0.27 -0.17 0.00 0.00 175.17 175.02 3gr9 s ILE 107 N -1.67 2.02 -0.31 4.11 -4.36 -1.26 -0.56 121.20 119.16 3gr9 s ILE 107 Ca 0.76 -0.09 -0.12 0.00 -0.26 0.00 0.00 60.65 60.95 3gr9 s ILE 107 Cb -0.28 -2.94 -0.03 0.00 1.25 0.00 0.00 42.46 40.46 3gr9 s ILE 107 CO 0.32 0.00 0.20 -0.62 0.24 0.00 0.00 174.94 175.09 3gr9 s ASP 108 N -4.85 5.92 0.58 4.36 -1.08 0.17 -4.17 116.67 117.61 3gr9 s ASP 108 Ca 0.72 -0.31 0.28 0.00 -0.52 0.00 0.00 52.55 52.72 3gr9 s ASP 108 Cb -0.04 -2.10 1.53 0.00 -1.46 0.00 0.00 42.92 40.84 3gr9 s ASP 108 CO 0.51 -0.17 1.98 -0.29 0.52 0.00 0.00 175.17 177.73 3gr9 h ILE 109 N 5.49 0.46 0.01 4.11 6.09 -1.92 0.28 117.51 132.02 3gr9 h ILE 109 Ca -0.33 0.00 -0.14 0.00 -1.37 0.00 0.00 64.86 63.02 3gr9 h ILE 109 Cb 1.17 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 39.15 3gr9 h ILE 109 CO 0.60 0.00 -0.75 0.78 -3.07 0.00 0.00 178.15 175.71 3gr9 h ASN 110 N 0.00 0.03 1.54 2.19 2.35 -1.93 -3.39 115.58 116.36 3gr9 h ASN 110 Ca 0.18 -0.74 -0.06 0.00 -0.55 0.00 0.00 56.30 55.12 3gr9 h ASN 110 Cb 0.91 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3gr9 h ASN 110 CO -0.00 1.30 -0.48 0.71 -1.65 0.00 0.00 177.43 177.31 3gr9 h THR 111 N -0.94 0.43 0.00 2.81 1.35 -1.69 -2.70 112.91 112.17 3gr9 h THR 111 Ca -0.20 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 3gr9 h THR 111 Cb 1.22 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 3gr9 h THR 111 CO -0.10 0.24 0.00 0.18 -0.25 0.00 0.00 175.52 175.59 3gr9 n LEU 112 N -3.09 0.07 -4.97 3.87 4.77 0.93 -4.77 117.00 113.82 3gr9 n LEU 112 Ca 0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 3gr9 n LEU 112 Cb 0.65 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3gr9 n LEU 112 CO 0.38 -0.03 0.25 0.20 -1.33 0.00 0.00 177.39 176.86 3gr9 s ASN 113 N -3.27 5.72 0.16 -1.43 0.01 -1.26 -4.67 114.94 110.21 3gr9 s ASN 113 Ca 0.00 0.10 -0.32 0.00 -0.71 0.00 0.00 52.86 51.93 3gr9 s ASN 113 Cb 0.00 -1.29 -0.17 0.00 0.41 0.00 0.00 41.25 40.20 3gr9 s ASN 113 CO 0.00 -0.75 0.82 0.00 -1.51 0.00 0.00 177.10 175.66 3gr9 n ILE 114 N -2.05 1.33 -2.23 0.60 3.06 -1.26 0.45 119.36 119.26 3gr9 n ILE 114 Ca 0.03 -0.33 -0.42 0.00 -2.50 0.00 0.00 62.75 59.52 3gr9 n ILE 114 Cb 0.58 -0.27 -0.03 0.00 0.54 0.00 0.00 39.64 40.47 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 -0.53 6.85 0.11 9.51 2.15 0.27 -4.37 116.67 130.66 3gr9 s ASP 115 Ca 0.71 2.09 -0.14 0.00 0.43 0.00 0.00 52.55 55.64 3gr9 s ASP 115 Cb -0.97 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.02 3gr9 s ASP 115 CO 0.56 -0.73 1.42 0.40 -0.17 0.00 0.00 175.17 176.66 3gr9 h ILE 116 N 4.98 1.29 -0.22 4.11 1.08 -1.88 -1.46 117.51 125.41 3gr9 h ILE 116 Ca -0.37 -1.53 -0.03 0.00 -0.39 0.00 0.00 64.86 62.54 3gr9 h ILE 116 Cb 1.17 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 3gr9 h ILE 116 CO 0.91 0.50 0.01 -0.33 -0.69 0.00 0.00 178.15 178.54 3gr9 h GLU 117 N 0.54 0.39 -0.78 2.37 4.39 -1.98 -1.91 114.58 117.59 3gr9 h GLU 117 Ca 0.04 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 3gr9 h GLU 117 Cb 0.94 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 3gr9 h GLU 117 CO 0.08 0.57 0.48 0.77 -1.16 0.00 0.00 179.01 179.76 3gr9 h SER 118 N 0.16 0.93 -0.11 1.42 0.02 -1.92 -3.04 113.55 111.01 3gr9 h SER 118 Ca 0.06 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 3gr9 h SER 118 Cb 0.39 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3gr9 h SER 118 CO 0.01 0.71 -0.03 0.25 -1.14 0.00 0.00 176.83 176.62 3gr9 h LEU 119 N 1.08 -0.11 -1.05 5.07 5.85 -0.87 0.21 115.31 125.49 3gr9 h LEU 119 Ca 0.28 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3gr9 h LEU 119 Cb -0.06 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3gr9 h LEU 119 CO -0.06 -0.04 0.00 2.29 -0.34 0.00 0.00 178.44 180.29 3gr9 n LYS 120 N -5.15 0.11 -0.02 1.25 2.85 -0.76 -1.04 118.16 115.40 3gr9 n LYS 120 Ca -0.04 0.59 0.08 0.00 -1.05 0.00 0.00 58.31 57.89 3gr9 n LYS 120 Cb 0.09 -1.84 -0.15 0.00 -0.65 0.00 0.00 35.03 32.47 3gr9 n LYS 120 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3gr9 n GLU 121 N -2.07 0.63 0.10 -1.58 2.13 -0.57 -4.31 120.64 114.97 3gr9 n GLU 121 Ca -0.01 -0.16 0.05 0.00 0.66 0.00 0.00 57.16 57.70 3gr9 n GLU 121 Cb 0.04 -1.46 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 3gr9 n GLU 121 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gr9 h ALA 122 N 1.70 0.66 -2.25 4.31 0.00 0.72 -3.45 119.26 120.94 3gr9 h ALA 122 Ca -0.04 -0.42 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 3gr9 h ALA 122 Cb 1.00 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3gr9 h ALA 122 CO 0.00 0.48 0.63 0.08 0.00 0.00 0.00 179.25 180.45 3gr9 s VAL 123 N -3.09 4.62 0.06 0.00 1.01 -0.87 -4.97 120.40 117.16 3gr9 s VAL 123 Ca 0.01 1.91 0.01 0.00 0.00 0.00 0.00 61.98 63.91 3gr9 s VAL 123 Cb 0.08 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 3gr9 s VAL 123 CO 0.77 -0.02 0.03 0.41 0.00 0.00 0.00 175.10 176.29 3gr9 n THR 124 N 4.66 0.00 0.58 3.92 -1.04 -1.26 -5.01 114.28 116.13 3gr9 n THR 124 Ca 0.10 -0.39 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 3gr9 n THR 124 Cb 0.48 0.15 0.45 0.00 -1.82 0.00 0.00 70.33 69.59 3gr9 n THR 124 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3gr9 n ASP 125 N -2.11 0.52 0.11 8.00 8.00 -1.26 -2.10 116.55 127.71 3gr9 n ASP 125 Ca -0.01 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.20 3gr9 n ASP 125 Cb 0.10 -0.71 0.21 0.00 -0.02 0.00 0.00 41.12 40.69 3gr9 n ASP 125 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3gr9 h SER 126 N 0.00 0.00 -2.81 -2.24 0.87 -1.97 -3.46 113.55 103.93 3gr9 h SER 126 Ca 0.00 -0.08 -0.55 0.00 -1.23 0.00 0.00 61.79 59.93 3gr9 h SER 126 Cb 0.49 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 3gr9 h SER 126 CO 0.00 0.04 0.93 -0.89 -0.53 0.00 0.00 176.83 176.38 3gr9 s THR 127 N -3.19 3.73 -0.08 2.23 2.01 -0.89 -3.75 115.64 115.70 3gr9 s THR 127 Ca 0.06 1.03 0.14 0.00 0.31 0.00 0.00 61.69 63.23 3gr9 s THR 127 Cb 0.11 -3.66 -0.21 0.00 0.01 0.00 0.00 72.50 68.75 3gr9 s THR 127 CO 0.69 -0.04 0.20 0.29 -0.69 0.00 0.00 174.62 175.06 3gr9 n LYS 128 N 6.09 1.05 -3.52 4.92 4.76 0.33 -4.76 118.16 127.04 3gr9 n LYS 128 Ca 0.15 -0.08 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 3gr9 n LYS 128 Cb 0.43 -1.37 -0.05 0.00 -1.84 0.00 0.00 35.03 32.21 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 -2.72 -1.60 -0.21 7.82 0.00 -1.15 -1.08 121.76 122.82 3gr9 s ALA 129 Ca -0.06 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.87 3gr9 s ALA 129 Cb 0.07 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3gr9 s ALA 129 CO 0.61 -0.47 -0.08 0.42 0.00 0.00 0.00 175.76 176.24 3gr9 s ILE 130 N -1.96 1.58 -0.56 0.00 1.01 0.24 -1.20 121.20 120.31 3gr9 s ILE 130 Ca -0.08 -1.08 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 3gr9 s ILE 130 Cb -0.01 -1.73 0.09 0.00 0.01 0.00 0.00 42.46 40.82 3gr9 s ILE 130 CO 0.03 0.06 0.69 -0.22 0.00 0.00 0.00 174.94 175.50 3gr9 s LEU 131 N 1.40 5.19 0.21 2.97 2.96 0.62 -0.90 118.68 131.12 3gr9 s LEU 131 Ca -0.03 -1.22 -0.01 0.00 -0.22 0.00 0.00 54.13 52.64 3gr9 s LEU 131 Cb -0.17 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3gr9 s LEU 131 CO -0.07 -1.05 0.41 0.42 -1.32 0.00 0.00 176.35 174.73 3gr9 s THR 132 N 2.74 5.18 -0.11 3.68 -4.23 0.61 -4.30 115.64 119.20 3gr9 s THR 132 Ca 0.13 -0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.34 3gr9 s THR 132 Cb -0.22 -3.73 0.03 0.00 1.34 0.00 0.00 72.50 69.92 3gr9 s THR 132 CO 0.08 -0.18 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.25 3gr9 s VAL 133 N -1.89 0.77 -0.57 2.29 1.01 -1.26 -1.40 120.40 119.36 3gr9 s VAL 133 Ca 0.39 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.88 3gr9 s VAL 133 Cb -0.11 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.40 3gr9 s VAL 133 CO 0.29 0.26 1.22 0.20 0.00 0.00 0.00 175.10 177.07 3gr9 s ASN 134 N 1.80 6.42 -0.09 3.32 0.01 -1.23 -4.75 114.94 120.42 3gr9 s ASN 134 Ca 0.04 0.17 -0.21 0.00 -0.71 0.00 0.00 52.86 52.15 3gr9 s ASN 134 Cb -0.13 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3gr9 s ASN 134 CO -0.07 -1.49 0.62 -0.22 -1.51 0.00 0.00 177.10 174.43 3gr9 s LEU 135 N 5.06 4.29 -2.16 0.60 2.96 -1.08 -4.17 118.68 124.18 3gr9 s LEU 135 Ca 0.45 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.40 3gr9 s LEU 135 Cb -0.08 -2.94 0.00 0.00 0.50 0.00 0.00 46.19 43.67 3gr9 s LEU 135 CO 0.26 -0.08 0.00 0.18 -1.32 0.00 0.00 176.35 175.39 3gr9 n LEU 136 N 3.80 -1.54 0.00 -0.68 4.77 -1.26 -1.79 117.00 120.30 3gr9 n LEU 136 Ca -0.03 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3gr9 n LEU 136 Cb 0.51 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.75 3gr9 n LEU 136 CO 0.46 -1.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 3gr9 n GLY 137 N -0.43 1.12 3.56 -0.72 0.00 -1.07 -0.65 105.19 107.00 3gr9 n GLY 137 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.78 6.42 0.63 1.61 2.47 -0.74 -0.89 114.94 122.67 3gr9 s ASN 138 Ca 0.00 0.10 -0.16 0.00 0.42 0.00 0.00 52.86 53.22 3gr9 s ASN 138 Cb 0.00 -2.33 -0.01 0.00 -1.45 0.00 0.00 41.25 37.46 3gr9 s ASN 138 CO 0.00 -0.62 1.11 -2.16 -3.72 0.00 0.00 177.10 171.71 3gr9 s PRO 139 N 2.74 2.92 0.73 0.43 0.04 -1.26 -2.63 135.00 137.97 3gr9 s PRO 139 Ca 0.24 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 3gr9 s PRO 139 Cb -0.14 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.46 3gr9 s PRO 139 CO 0.15 -1.16 1.08 -0.80 0.04 0.00 0.00 177.00 176.31 3gr9 s ASN 140 N -2.42 5.19 -0.73 6.66 0.01 -1.26 -4.66 114.94 117.73 3gr9 s ASN 140 Ca 0.68 1.35 -0.22 0.00 -0.71 0.00 0.00 52.86 53.96 3gr9 s ASN 140 Cb -0.21 -2.18 0.08 0.00 0.41 0.00 0.00 41.25 39.35 3gr9 s ASN 140 CO 0.38 -1.53 1.02 0.21 -1.51 0.00 0.00 177.10 175.67 3gr9 s ASN 141 N -4.03 6.27 0.49 -1.22 3.84 -1.26 -4.80 114.94 114.23 3gr9 s ASN 141 Ca 0.59 -1.20 0.28 0.00 0.21 0.00 0.00 52.86 52.74 3gr9 s ASN 141 Cb -0.13 -2.42 0.97 0.00 -0.55 0.00 0.00 41.25 39.11 3gr9 s ASN 141 CO 0.54 -1.38 1.84 -0.26 -2.79 0.00 0.00 177.10 175.04 3gr9 h PHE 142 N 9.45 0.00 -0.73 0.43 0.04 -1.99 -2.46 116.94 121.68 3gr9 h PHE 142 Ca -0.18 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 3gr9 h PHE 142 Cb 1.06 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 3gr9 h PHE 142 CO 1.02 0.06 0.37 -0.44 -0.60 0.00 0.00 178.31 178.72 3gr9 h ASP 143 N 0.00 0.93 0.26 2.17 5.19 -2.00 0.91 116.42 123.88 3gr9 h ASP 143 Ca -0.00 -0.09 -0.24 0.00 -0.62 0.00 0.00 57.03 56.07 3gr9 h ASP 143 Cb 0.72 -0.24 0.01 0.00 0.18 0.00 0.00 39.33 40.00 3gr9 h ASP 143 CO 0.01 0.78 -1.00 -0.33 -3.12 0.00 0.00 179.24 175.58 3gr9 h GLU 144 N 1.03 0.49 -0.55 3.56 5.08 -1.88 -2.72 114.58 119.58 3gr9 h GLU 144 Ca 0.25 -0.54 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3gr9 h GLU 144 Cb 0.08 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3gr9 h GLU 144 CO -0.04 1.18 -0.07 0.82 -1.00 0.00 0.00 179.01 179.90 3gr9 h ILE 145 N 0.27 1.27 0.00 3.13 2.04 -1.07 -2.16 117.51 120.99 3gr9 h ILE 145 Ca -0.10 -1.22 -0.09 0.00 1.00 0.00 0.00 64.86 64.45 3gr9 h ILE 145 Cb 1.64 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3gr9 h ILE 145 CO 0.18 0.43 -0.42 0.78 0.00 0.00 0.00 178.15 179.12 3gr9 h ASN 146 N 0.89 0.00 -0.39 1.72 2.35 -0.86 -1.60 115.58 117.69 3gr9 h ASN 146 Ca 0.15 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 3gr9 h ASN 146 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3gr9 h ASN 146 CO 0.04 0.42 0.01 0.50 -1.65 0.00 0.00 177.43 176.75 3gr9 h LYS 147 N 0.00 0.68 0.14 0.81 3.64 -1.12 -1.24 116.57 119.47 3gr9 h LYS 147 Ca -0.00 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3gr9 h LYS 147 Cb 0.78 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 3gr9 h LYS 147 CO 0.05 0.77 -0.36 0.82 -2.27 0.00 0.00 179.45 178.46 3gr9 h ILE 148 N 0.51 0.25 -0.91 2.00 2.04 -0.74 -2.51 117.51 118.15 3gr9 h ILE 148 Ca 0.11 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 3gr9 h ILE 148 Cb 0.45 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3gr9 h ILE 148 CO 0.02 0.00 0.53 0.40 0.00 0.00 0.00 178.15 179.10 3gr9 h ILE 149 N -0.60 0.86 -6.88 -0.67 2.04 -1.08 -3.47 117.51 107.71 3gr9 h ILE 149 Ca 0.02 -0.29 -0.57 0.00 1.00 0.00 0.00 64.86 65.03 3gr9 h ILE 149 Cb 0.63 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3gr9 h ILE 149 CO -0.20 0.15 -1.04 0.61 0.00 0.00 0.00 178.15 177.67 3gr9 n GLY 150 N -1.33 -0.99 2.73 5.37 0.00 -0.49 -1.96 105.19 108.51 3gr9 n GLY 150 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.96 2.63 3.71 -0.02 0.00 -1.26 -5.02 105.19 103.28 3gr9 n GLY 151 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.09 1.17 -1.43 1.61 0.52 -0.83 -4.90 118.95 115.01 3gr9 s ARG 152 Ca 0.00 0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 55.96 3gr9 s ARG 152 Cb 0.00 -1.80 0.05 0.00 0.52 0.00 0.00 34.95 33.72 3gr9 s ARG 152 CO 0.00 -2.30 2.55 -3.47 0.02 0.00 0.00 175.30 172.10 3gr9 n ASP 153 N -3.92 8.05 -4.34 0.23 -0.08 -1.26 -4.87 116.55 110.36 3gr9 n ASP 153 Ca 0.07 -2.95 -0.34 0.00 -1.51 0.00 0.00 54.79 50.06 3gr9 n ASP 153 Cb 0.55 -1.44 -0.14 0.00 2.34 0.00 0.00 41.12 42.43 3gr9 n ASP 153 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3gr9 s ILE 154 N 0.12 3.25 0.06 5.18 1.01 -1.26 -4.85 121.20 124.71 3gr9 s ILE 154 Ca 0.58 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.41 3gr9 s ILE 154 Cb 0.18 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3gr9 s ILE 154 CO -0.08 0.47 0.81 -0.63 0.00 0.00 0.00 174.94 175.52 3gr9 s ILE 155 N 0.94 4.68 -0.06 2.92 1.01 -0.24 -4.90 121.20 125.54 3gr9 s ILE 155 Ca -0.01 1.74 -0.03 0.00 0.00 0.00 0.00 60.65 62.34 3gr9 s ILE 155 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3gr9 s ILE 155 CO 0.00 0.35 0.09 -0.22 0.00 0.00 0.00 174.94 175.15 3gr9 s LEU 156 N -0.01 4.01 0.06 2.97 2.96 -1.26 0.83 118.68 128.24 3gr9 s LEU 156 Ca 0.41 0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 54.48 3gr9 s LEU 156 Cb -0.21 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3gr9 s LEU 156 CO 0.25 0.35 0.23 -0.76 -1.32 0.00 0.00 176.35 175.09 3gr9 s LEU 157 N -1.29 1.22 0.03 -0.68 1.43 -0.08 -1.45 118.68 117.86 3gr9 s LEU 157 Ca 0.18 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3gr9 s LEU 157 Cb -0.12 1.12 -0.02 0.00 0.03 0.00 0.00 46.19 47.20 3gr9 s LEU 157 CO 0.08 -0.63 -0.17 -1.61 0.23 0.00 0.00 176.35 174.25 3gr9 s GLU 158 N -2.99 1.14 -0.51 1.70 2.02 -0.97 -0.29 118.70 118.80 3gr9 s GLU 158 Ca -0.02 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 3gr9 s GLU 158 Cb 0.01 -1.18 0.13 0.00 0.10 0.00 0.00 34.13 33.20 3gr9 s GLU 158 CO -0.06 0.30 0.33 0.34 0.02 0.00 0.00 175.26 176.19 3gr9 s ASP 159 N -1.03 5.38 -0.38 -0.19 -1.08 -0.49 -1.96 116.67 116.92 3gr9 s ASP 159 Ca 0.04 -2.33 0.04 0.00 -0.52 0.00 0.00 52.55 49.78 3gr9 s ASP 159 Cb -0.08 -1.88 0.58 0.00 -1.46 0.00 0.00 42.92 40.08 3gr9 s ASP 159 CO 0.01 -0.51 1.79 -3.20 0.52 0.00 0.00 175.17 173.78 3gr9 n ASN 160 N 4.24 3.69 0.00 -0.34 5.15 0.16 -3.48 115.26 124.68 3gr9 n ASN 160 Ca 0.01 -3.37 0.07 0.00 -0.60 0.00 0.00 54.58 50.69 3gr9 n ASN 160 Cb 0.40 -0.79 0.33 0.00 -0.53 0.00 0.00 39.78 39.19 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 -1.45 3.71 -2.04 0.00 1.02 -1.26 -4.40 120.64 116.21 3gr9 n GLU 162 Ca 0.04 -0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.01 3gr9 n GLU 162 Cb 0.16 -0.97 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 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 -1.24 4.04 -4.67 1.62 7.64 -1.19 -2.60 113.62 117.22 3gr9 n SER 163 Ca 0.02 -3.44 -0.46 0.00 1.01 0.00 0.00 58.87 56.00 3gr9 n SER 163 Cb 0.15 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 3gr9 n SER 163 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 3gr9 n MET 164 N -0.70 2.10 0.00 1.43 0.00 -1.25 -1.71 117.12 116.98 3gr9 n MET 164 Ca 0.35 0.76 0.00 0.00 0.00 0.00 0.00 57.70 58.81 3gr9 n MET 164 Cb 0.92 -2.52 0.00 0.00 0.00 0.00 0.00 33.22 31.62 3gr9 n MET 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gr9 n GLY 165 N 3.40 1.49 3.80 -5.12 0.00 -1.26 -4.87 105.19 102.63 3gr9 n GLY 165 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.40 2.65 0.15 4.61 0.00 -0.69 -4.84 121.76 121.23 3gr9 s ALA 166 Ca 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.24 3gr9 s ALA 166 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3gr9 s ALA 166 CO 0.00 -1.05 0.16 0.95 0.00 0.00 0.00 175.76 175.82 3gr9 s THR 167 N -2.62 0.08 -0.18 0.00 -4.23 -0.89 -1.92 115.64 105.88 3gr9 s THR 167 Ca 0.62 -1.67 -0.08 0.00 -1.18 0.00 0.00 61.69 59.38 3gr9 s THR 167 Cb -0.16 -1.96 0.07 0.00 1.34 0.00 0.00 72.50 71.79 3gr9 s THR 167 CO 0.43 -0.38 0.41 0.12 -0.54 0.00 0.00 174.62 174.66 3gr9 s PHE 168 N -4.01 -0.69 -1.17 3.99 5.36 0.45 -0.95 117.98 120.96 3gr9 s PHE 168 Ca 0.21 1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 57.55 3gr9 s PHE 168 Cb 0.06 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 3gr9 s PHE 168 CO 0.01 -0.41 0.24 0.09 -1.46 0.00 0.00 175.22 173.69 3gr9 n ASN 169 N 4.82 -4.65 -3.29 6.13 4.13 -1.26 -0.65 115.26 120.49 3gr9 n ASN 169 Ca -0.16 -0.12 -0.23 0.00 1.68 0.00 0.00 54.58 55.75 3gr9 n ASN 169 Cb 0.52 -3.64 0.01 0.00 -1.54 0.00 0.00 39.78 35.14 3gr9 n ASN 169 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3gr9 n ASN 170 N -1.06 -4.58 -3.94 6.41 3.02 -1.26 -4.93 115.26 108.93 3gr9 n ASN 170 Ca -0.12 -0.38 -0.23 0.00 -0.03 0.00 0.00 54.58 53.81 3gr9 n ASN 170 Cb 0.61 -3.74 -0.17 0.00 -0.61 0.00 0.00 39.78 35.87 3gr9 n ASN 170 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3gr9 s LYS 171 N -5.96 1.27 0.24 3.52 2.36 0.17 -5.12 119.74 116.23 3gr9 s LYS 171 Ca 0.39 -0.24 -0.31 0.00 -2.55 0.00 0.00 55.97 53.26 3gr9 s LYS 171 Cb -0.20 -1.19 -0.13 0.00 -1.05 0.00 0.00 37.83 35.26 3gr9 s LYS 171 CO 0.48 -0.08 1.55 0.00 1.55 0.00 0.00 175.35 178.85 3gr9 s ALA 173 N 0.33 2.31 0.00 0.00 0.00 -0.81 -1.90 121.76 121.69 3gr9 s ALA 173 Ca 0.70 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.23 3gr9 s ALA 173 Cb -0.58 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.19 3gr9 s ALA 173 CO 0.44 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 175.05 3gr9 n GLY 174 N -0.40 2.89 0.30 0.00 0.00 -1.26 -4.79 105.19 101.92 3gr9 n GLY 174 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.67 0.00 -0.15 2.61 -2.24 -0.80 -3.69 114.28 109.34 3gr9 n THR 175 Ca 0.00 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 3gr9 n THR 175 Cb 0.00 0.80 -0.01 0.00 -2.10 0.00 0.00 70.33 69.02 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 1.47 0.99 -3.47 4.78 -1.00 -1.87 -3.47 116.94 114.37 3gr9 h PHE 176 Ca 0.00 -0.22 -0.46 0.00 2.81 0.00 0.00 57.97 60.11 3gr9 h PHE 176 Cb 0.61 -0.24 0.12 0.00 3.61 0.00 0.00 35.95 40.05 3gr9 h PHE 176 CO 0.00 0.98 0.29 0.20 -1.61 0.00 0.00 178.31 178.17 3gr9 s GLY 177 N -3.57 1.75 0.66 -1.45 0.00 -1.26 -4.90 107.32 98.55 3gr9 s GLY 177 Ca -0.12 -1.27 0.41 0.00 0.00 0.00 0.00 44.72 43.74 3gr9 s GLY 177 CO 0.84 -0.65 2.25 -2.00 0.00 0.00 0.00 173.10 173.54 3gr9 h LEU 178 N -1.08 0.00 -7.02 0.66 6.46 -1.60 -3.42 115.31 109.31 3gr9 h LEU 178 Ca -0.42 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.29 3gr9 h LEU 178 Cb 1.27 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 41.02 3gr9 h LEU 178 CO 0.45 0.00 0.18 -0.04 -0.62 0.00 0.00 178.44 178.41 3gr9 s MET 179 N -4.12 1.10 -0.01 1.25 -1.94 -1.26 -4.45 119.30 109.86 3gr9 s MET 179 Ca -0.05 0.07 -0.01 0.00 -1.71 0.00 0.00 55.69 54.00 3gr9 s MET 179 Cb 0.12 0.52 0.00 0.00 2.01 0.00 0.00 34.83 37.47 3gr9 s MET 179 CO 0.37 -0.38 0.03 0.20 -0.01 0.00 0.00 175.02 175.23 3gr9 s GLY 180 N -1.57 0.00 0.02 -0.03 0.00 -1.01 -2.30 107.32 102.44 3gr9 s GLY 180 Ca -0.08 0.02 0.05 0.00 0.00 0.00 0.00 44.72 44.70 3gr9 s GLY 180 CO 0.04 -0.00 -0.11 -0.51 0.00 0.00 0.00 173.10 172.53 3gr9 s THR 181 N -0.14 3.34 0.14 0.90 -4.23 -0.83 -1.50 115.64 113.32 3gr9 s THR 181 Ca -0.02 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.59 3gr9 s THR 181 Cb -0.01 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 3gr9 s THR 181 CO -0.00 0.35 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.96 3gr9 s PHE 182 N -0.99 1.29 0.01 3.99 0.40 0.18 0.40 117.98 123.27 3gr9 s PHE 182 Ca 0.17 -0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3gr9 s PHE 182 Cb -0.11 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 42.75 3gr9 s PHE 182 CO 0.07 0.10 -0.02 0.45 0.70 0.00 0.00 175.22 176.53 3gr9 s SER 183 N -3.03 0.13 -0.41 1.36 0.15 -1.26 -1.39 113.70 109.25 3gr9 s SER 183 Ca 0.15 -0.28 0.11 0.00 0.70 0.00 0.00 55.95 56.63 3gr9 s SER 183 Cb 0.01 0.06 0.40 0.00 -1.71 0.00 0.00 66.02 64.78 3gr9 s SER 183 CO 0.01 -0.17 0.94 -1.54 1.20 0.00 0.00 173.24 173.69 3gr9 n SER 184 N 2.24 2.68 -4.85 5.45 3.41 -0.39 -4.63 113.62 117.53 3gr9 n SER 184 Ca -0.19 -3.21 -0.33 0.00 -0.26 0.00 0.00 58.87 54.89 3gr9 n SER 184 Cb 0.57 -0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 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 -3.14 3.44 0.00 7.33 5.36 -1.25 -0.11 117.98 129.60 3gr9 s PHE 185 Ca 0.39 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 3gr9 s PHE 185 Cb 0.39 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.61 3gr9 s PHE 185 CO -0.08 0.19 0.00 0.98 -1.46 0.00 0.00 175.22 174.86 3gr9 n TYR 186 N -0.09 0.00 -0.76 10.12 9.36 -1.21 -4.63 117.16 129.96 3gr9 n TYR 186 Ca 0.01 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.13 3gr9 n TYR 186 Cb 0.53 -0.46 0.01 0.00 -0.63 0.00 0.00 39.34 38.78 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 -3.69 5.96 -0.02 2.98 6.94 -1.26 -4.72 115.26 121.45 3gr9 n ASN 187 Ca 0.00 -2.77 -0.13 0.00 -0.02 0.00 0.00 54.58 51.65 3gr9 n ASN 187 Cb 0.00 -1.11 -0.01 0.00 -2.36 0.00 0.00 39.78 36.30 3gr9 n ASN 187 CO 0.00 0.00 0.00 0.45 -1.03 0.00 0.00 177.26 176.68 3gr9 h HIS 189 N 1.40 0.90 -3.93 -2.53 3.86 -1.86 -3.47 115.15 109.52 3gr9 h HIS 189 Ca 0.17 -0.36 -0.23 0.00 -1.16 0.00 0.00 60.37 58.79 3gr9 h HIS 189 Cb 0.96 -0.15 -0.18 0.00 1.06 0.00 0.00 27.41 29.10 3gr9 h HIS 189 CO 0.63 1.15 -0.71 0.96 0.86 0.00 0.00 177.93 180.82 3gr9 s ILE 190 N -3.88 0.54 -0.07 2.45 -4.36 -1.26 -5.01 121.20 109.61 3gr9 s ILE 190 Ca -0.09 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3gr9 s ILE 190 Cb 0.10 -1.10 0.02 0.00 1.25 0.00 0.00 42.46 42.73 3gr9 s ILE 190 CO 0.87 -0.65 -0.10 0.00 0.24 0.00 0.00 174.94 175.30 3gr9 s ALA 191 N -2.53 1.15 -0.25 2.27 0.00 -1.26 -3.92 121.76 117.22 3gr9 s ALA 191 Ca -0.00 -0.36 0.13 0.00 0.00 0.00 0.00 51.96 51.73 3gr9 s ALA 191 Cb -0.02 -0.57 0.47 0.00 0.00 0.00 0.00 23.12 22.99 3gr9 s ALA 191 CO -0.03 0.03 1.17 0.25 0.00 0.00 0.00 175.76 177.19 3gr9 n THR 192 N 3.98 1.99 0.00 0.00 -2.24 0.84 -4.76 114.28 114.08 3gr9 n THR 192 Ca -0.22 -3.53 0.00 0.00 -2.27 0.00 0.00 64.05 58.03 3gr9 n THR 192 Cb 0.51 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.66 0.00 -3.64 -0.78 2.81 -1.25 -4.55 117.12 109.05 3gr9 n MET 193 Ca 0.28 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3gr9 n MET 193 Cb 0.90 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.34 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 0.77 0.00 0.03 0.41 -1.26 -3.35 118.70 115.30 3gr9 s GLU 194 Ca 0.00 1.04 0.00 0.00 -0.41 0.00 0.00 54.97 55.60 3gr9 s GLU 194 Cb 0.00 0.30 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 3gr9 s GLU 194 CO 0.00 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.07 3gr9 n GLY 195 N 3.24 1.45 3.45 -1.39 0.00 -0.90 -4.82 105.19 106.22 3gr9 n GLY 195 Ca -0.16 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 3gr9 n GLY 195 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gr9 s GLY 196 N 0.00 -0.07 -0.02 -0.02 0.00 -0.59 -1.26 107.32 105.35 3gr9 s GLY 196 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 3gr9 s GLY 196 CO 0.00 -0.33 0.15 0.00 0.00 0.00 0.00 173.10 172.92 3gr9 s ILE 198 N -0.77 1.70 0.05 0.00 1.01 -0.36 0.51 121.20 123.34 3gr9 s ILE 198 Ca -0.09 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3gr9 s ILE 198 Cb -0.05 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 3gr9 s ILE 198 CO 0.01 0.48 -0.02 0.68 0.00 0.00 0.00 174.94 176.09 3gr9 s VAL 199 N 0.95 3.95 0.00 2.92 -7.23 -0.56 -0.52 120.40 119.91 3gr9 s VAL 199 Ca -0.06 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 3gr9 s VAL 199 Cb -0.15 -2.82 0.05 0.00 0.56 0.00 0.00 36.38 34.02 3gr9 s VAL 199 CO -0.02 0.24 0.52 0.28 -0.31 0.00 0.00 175.10 175.81 3gr9 s THR 200 N -1.19 0.03 -2.79 5.32 -1.32 0.41 -2.39 115.64 113.71 3gr9 s THR 200 Ca 0.22 -0.23 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 3gr9 s THR 200 Cb -0.11 -0.90 0.31 0.00 -1.51 0.00 0.00 72.50 70.28 3gr9 s THR 200 CO 0.14 -0.13 1.39 0.47 -2.21 0.00 0.00 174.62 174.28 3gr9 n ASP 201 N 0.76 2.70 -4.56 8.08 8.00 -1.26 -0.52 116.55 129.75 3gr9 n ASP 201 Ca -0.19 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.01 3gr9 n ASP 201 Cb 0.58 -0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 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 -1.91 6.29 0.26 -2.24 -1.08 -1.26 -4.92 116.67 111.81 3gr9 s ASP 202 Ca 0.32 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.32 3gr9 s ASP 202 Cb 0.20 -2.25 0.33 0.00 -1.46 0.00 0.00 42.92 39.74 3gr9 s ASP 202 CO 0.31 -0.44 1.65 -0.08 0.52 0.00 0.00 175.17 177.13 3gr9 h GLU 203 N 8.44 0.44 0.42 4.34 4.81 -1.97 0.25 114.58 131.30 3gr9 h GLU 203 Ca -0.28 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 3gr9 h GLU 203 Cb 1.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gr9 h GLU 203 CO 0.75 0.75 -0.20 1.49 -0.73 0.00 0.00 179.01 181.07 3gr9 h GLU 204 N 0.37 -0.54 -0.77 1.92 4.81 -1.96 -0.93 114.58 117.48 3gr9 h GLU 204 Ca 0.04 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.48 3gr9 h GLU 204 Cb 0.83 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 30.22 3gr9 h GLU 204 CO 0.07 -0.23 0.18 0.82 -0.73 0.00 0.00 179.01 179.11 3gr9 h ILE 205 N -0.91 0.45 -0.67 2.32 1.08 -1.96 0.21 117.51 118.03 3gr9 h ILE 205 Ca -0.06 -0.08 0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3gr9 h ILE 205 Cb 0.56 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 3gr9 h ILE 205 CO 0.09 0.04 0.36 0.22 -0.69 0.00 0.00 178.15 178.18 3gr9 h TYR 206 N 0.24 0.67 -0.37 1.37 3.20 -0.27 0.16 116.97 121.97 3gr9 h TYR 206 Ca 0.45 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.24 3gr9 h TYR 206 Cb 0.80 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3gr9 h TYR 206 CO -0.28 0.31 -0.22 0.45 -1.64 0.00 0.00 178.16 176.79 3gr9 h HIS 207 N 0.67 0.80 -0.66 -3.82 3.86 0.42 -0.76 115.15 115.66 3gr9 h HIS 207 Ca 0.30 -0.18 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3gr9 h HIS 207 Cb 0.21 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3gr9 h HIS 207 CO -0.08 0.87 0.15 0.82 0.86 0.00 0.00 177.93 180.54 3gr9 h ILE 208 N 0.63 1.26 -0.13 2.45 2.04 -0.34 0.28 117.51 123.69 3gr9 h ILE 208 Ca 0.09 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3gr9 h ILE 208 Cb 0.70 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3gr9 h ILE 208 CO 0.05 0.36 -0.02 -0.07 0.00 0.00 0.00 178.15 178.48 3gr9 h LEU 209 N 0.98 0.24 -0.68 1.44 3.38 -0.55 0.24 115.31 120.36 3gr9 h LEU 209 Ca 0.20 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3gr9 h LEU 209 Cb 0.38 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.97 3gr9 h LEU 209 CO 0.00 0.54 0.16 -0.07 0.09 0.00 0.00 178.44 179.17 3gr9 h LEU 210 N -0.06 0.02 -0.42 1.67 3.38 -0.74 -0.51 115.31 118.66 3gr9 h LEU 210 Ca 0.03 0.13 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3gr9 h LEU 210 Cb 0.43 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gr9 h LEU 210 CO 0.01 -0.01 -0.09 0.00 0.09 0.00 0.00 178.44 178.44 3gr9 n ILE 212 N -4.32 0.00 0.14 0.00 -5.35 0.81 -2.12 119.36 108.52 3gr9 n ILE 212 Ca -0.01 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 3gr9 n ILE 212 Cb 0.36 0.19 0.18 0.00 -1.74 0.00 0.00 39.64 38.62 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 0.72 0.00 -2.97 6.28 2.43 -1.20 -1.89 114.38 117.76 3gr9 h ARG 213 Ca 0.00 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.56 3gr9 h ARG 213 Cb 0.46 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.62 3gr9 h ARG 213 CO 0.00 0.58 -0.75 0.00 -1.51 0.00 0.00 179.97 178.29 3gr9 s ALA 214 N -3.46 1.97 0.00 2.80 0.00 -1.23 -0.93 121.76 120.91 3gr9 s ALA 214 Ca -0.00 -2.46 0.00 0.00 0.00 0.00 0.00 51.96 49.50 3gr9 s ALA 214 Cb 0.12 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3gr9 s ALA 214 CO 0.75 -2.05 0.00 0.72 0.00 0.00 0.00 175.76 175.17 3gr9 n HIS 215 N 3.67 0.00 -1.32 0.00 8.25 0.52 -2.48 115.22 123.86 3gr9 n HIS 215 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 3gr9 n HIS 215 Cb 0.35 -1.61 -0.05 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 0.30 1.20 3.94 -1.41 0.00 -0.90 -4.72 105.19 103.60 3gr9 n GLY 216 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3gr9 n GLY 216 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3gr9 s TRP 217 N -2.31 2.08 -1.22 1.61 -2.14 -1.04 -1.59 118.94 114.34 3gr9 s TRP 217 Ca 0.00 0.24 0.14 0.00 2.66 0.00 0.00 56.10 59.14 3gr9 s TRP 217 Cb 0.00 -3.53 0.38 0.00 -3.10 0.00 0.00 33.47 27.23 3gr9 s TRP 217 CO 0.00 -1.99 1.31 0.25 -2.66 0.00 0.00 176.95 173.86 3gr9 n THR 218 N -3.26 0.95 -0.11 0.66 -2.24 -1.24 -4.71 114.28 104.33 3gr9 n THR 218 Ca 0.12 -0.98 -0.07 0.00 -2.27 0.00 0.00 64.05 60.86 3gr9 n THR 218 Cb 0.60 0.54 0.01 0.00 -2.10 0.00 0.00 70.33 69.38 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 2.61 0.32 -0.70 -0.78 3.08 -1.92 -1.24 114.38 115.77 3gr9 h ARG 219 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gr9 h ARG 219 Cb 0.79 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3gr9 h ARG 219 CO 0.00 0.21 0.00 0.09 -1.07 0.00 0.00 179.97 179.20 3gr9 n ASN 220 N -4.97 2.16 -4.88 7.04 4.13 -1.26 -4.83 115.26 112.65 3gr9 n ASN 220 Ca 0.01 -2.21 -0.34 0.00 1.68 0.00 0.00 54.58 53.72 3gr9 n ASN 220 Cb 0.11 -0.45 -0.05 0.00 -1.54 0.00 0.00 39.78 37.84 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 -0.90 4.32 0.59 3.41 1.43 -0.47 -4.93 118.68 122.13 3gr9 s LEU 221 Ca 0.17 0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 53.86 3gr9 s LEU 221 Cb 0.12 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3gr9 s LEU 221 CO 0.07 0.13 1.02 -2.16 0.23 0.00 0.00 176.35 175.64 3gr9 s PRO 222 N -2.14 3.57 0.19 1.29 0.04 -1.26 -4.95 135.00 131.74 3gr9 s PRO 222 Ca 0.35 0.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.06 3gr9 s PRO 222 Cb -0.13 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.39 3gr9 s PRO 222 CO 0.20 -0.59 1.55 -0.22 0.04 0.00 0.00 177.00 177.97 3gr9 h LYS 223 N 0.14 -0.00 -4.96 4.56 1.63 -1.96 -3.31 116.57 112.68 3gr9 h LYS 223 Ca -0.45 0.00 -0.64 0.00 -0.85 0.00 0.00 60.65 58.71 3gr9 h LYS 223 Cb 1.20 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.64 3gr9 h LYS 223 CO 0.60 -0.00 -0.55 0.21 -3.45 0.00 0.00 179.45 176.26 3gr9 s LYS 224 N -5.69 3.87 0.13 1.90 2.20 -1.24 -1.87 119.74 119.04 3gr9 s LYS 224 Ca -0.13 -0.37 -0.00 0.00 -0.36 0.00 0.00 55.97 55.12 3gr9 s LYS 224 Cb 0.15 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3gr9 s LYS 224 CO 0.66 -0.12 0.02 0.54 -0.36 0.00 0.00 175.35 176.09 3gr9 s ASN 225 N 1.54 0.62 0.21 1.43 2.20 0.43 -4.97 114.94 116.40 3gr9 s ASN 225 Ca 0.07 -1.16 0.24 0.00 -0.94 0.00 0.00 52.86 51.07 3gr9 s ASN 225 Cb -0.15 0.22 0.91 0.00 -2.00 0.00 0.00 41.25 40.23 3gr9 s ASN 225 CO 0.07 -0.65 1.73 0.29 -2.94 0.00 0.00 177.10 175.60 3gr9 n LYS 226 N -0.10 0.20 -0.09 3.55 4.76 -1.26 -1.50 118.16 123.72 3gr9 n LYS 226 Ca -0.07 0.32 -0.23 0.00 -2.87 0.00 0.00 58.31 55.45 3gr9 n LYS 226 Cb 0.63 -1.81 -0.12 0.00 -1.84 0.00 0.00 35.03 31.89 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 -2.17 1.58 -0.03 -0.18 0.31 -1.26 -4.72 118.33 111.86 3gr9 n VAL 227 Ca 0.04 -0.32 0.01 0.00 -0.01 0.00 0.00 64.34 64.05 3gr9 n VAL 227 Cb 0.31 -1.86 -0.09 0.00 -0.91 0.00 0.00 33.84 31.29 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 -4.05 0.35 0.00 2.52 -2.24 -1.25 -5.06 114.28 104.55 3gr9 n THR 228 Ca -0.40 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3gr9 n THR 228 Cb 0.85 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 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 2.08 1.35 3.09 3.38 0.00 -0.56 -4.80 105.19 109.73 3gr9 n GLY 229 Ca -0.09 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 2.45 0.63 1.61 1.01 -1.26 0.16 120.40 125.01 3gr9 s VAL 230 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3gr9 s VAL 230 Cb 0.00 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3gr9 s VAL 230 CO 0.00 -0.21 1.21 -0.54 0.00 0.00 0.00 175.10 175.56 3gr9 s LYS 231 N 1.10 2.73 1.05 2.72 1.02 -0.78 -5.02 119.74 122.57 3gr9 s LYS 231 Ca -0.03 1.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.61 3gr9 s LYS 231 Cb -0.20 -1.90 0.23 0.00 -0.52 0.00 0.00 37.83 35.44 3gr9 s LYS 231 CO -0.05 -1.39 1.23 0.45 -0.92 0.00 0.00 175.35 174.67 3gr9 s SER 232 N -1.72 2.28 0.00 2.83 0.15 -1.26 -4.97 113.70 111.01 3gr9 s SER 232 Ca 0.77 0.44 0.10 0.00 0.70 0.00 0.00 55.95 57.96 3gr9 s SER 232 Cb -0.30 -0.58 0.11 0.00 -1.71 0.00 0.00 66.02 63.54 3gr9 s SER 232 CO 0.37 -3.26 0.89 0.47 1.20 0.00 0.00 173.24 172.91 3gr9 n ASP 233 N -4.15 2.02 -4.51 5.45 8.00 -1.26 -4.85 116.55 117.25 3gr9 n ASP 233 Ca 0.14 -1.52 -0.43 0.00 0.71 0.00 0.00 54.79 53.69 3gr9 n ASP 233 Cb 0.59 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.89 6.85 0.37 -2.24 -1.08 -1.26 -4.86 116.67 113.56 3gr9 s ASP 234 Ca 0.14 -2.45 0.19 0.00 -0.52 0.00 0.00 52.55 49.90 3gr9 s ASP 234 Cb 0.09 -2.48 1.20 0.00 -1.46 0.00 0.00 42.92 40.27 3gr9 s ASP 234 CO 0.13 -1.03 1.65 -0.61 0.52 0.00 0.00 175.17 175.82 3gr9 h GLN 235 N 7.93 0.22 -0.70 4.34 5.75 -1.96 0.83 115.11 131.52 3gr9 h GLN 235 Ca 0.31 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.91 3gr9 h GLN 235 Cb 0.92 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.34 3gr9 h GLN 235 CO 1.31 0.14 0.30 0.35 -2.65 0.00 0.00 178.83 178.28 3gr9 h PHE 236 N 0.23 0.52 0.01 3.99 3.57 -2.00 -1.82 116.94 121.44 3gr9 h PHE 236 Ca 0.77 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.30 3gr9 h PHE 236 Cb 1.93 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.54 3gr9 h PHE 236 CO -0.01 0.13 -0.00 1.49 -2.23 0.00 0.00 178.31 177.69 3gr9 h GLU 237 N 0.49 -0.01 -0.49 1.11 4.57 0.00 -3.39 114.58 116.86 3gr9 h GLU 237 Ca 0.36 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.68 3gr9 h GLU 237 Cb 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3gr9 h GLU 237 CO -0.33 -0.01 0.49 1.49 -1.18 0.00 0.00 179.01 179.47 3gr9 h GLU 238 N -0.14 0.00 -0.00 1.92 4.57 -0.15 -1.50 114.58 119.28 3gr9 h GLU 238 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gr9 h GLU 238 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3gr9 h GLU 238 CO 0.00 0.00 -0.00 0.43 -1.18 0.00 0.00 179.01 178.26 3gr9 n SER 239 N -3.80 0.00 -3.16 1.04 7.64 -0.69 -3.75 113.62 110.91 3gr9 n SER 239 Ca 0.09 -0.69 -0.18 0.00 1.01 0.00 0.00 58.87 59.11 3gr9 n SER 239 Cb 0.69 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 3gr9 n SER 239 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3gr9 n PHE 240 N -1.10 0.14 -4.26 1.43 3.72 -0.56 -4.92 117.46 111.90 3gr9 n PHE 240 Ca 0.20 -3.75 -0.24 0.00 -0.05 0.00 0.00 57.45 53.61 3gr9 n PHE 240 Cb 0.16 -0.37 -0.17 0.00 -0.94 0.00 0.00 39.48 38.16 3gr9 n PHE 240 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3gr9 s LYS 241 N -2.39 1.40 -0.22 -1.08 2.20 -1.25 -5.00 119.74 113.41 3gr9 s LYS 241 Ca 0.39 -0.27 -0.06 0.00 -0.36 0.00 0.00 55.97 55.67 3gr9 s LYS 241 Cb 0.35 -1.30 -0.02 0.00 -1.51 0.00 0.00 37.83 35.35 3gr9 s LYS 241 CO -0.08 -0.09 0.02 -0.06 -0.36 0.00 0.00 175.35 174.78 3gr9 s PHE 242 N 1.07 3.04 -0.01 4.03 0.40 -1.26 -3.72 117.98 121.52 3gr9 s PHE 242 Ca -0.08 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 55.78 3gr9 s PHE 242 Cb -0.14 -2.15 -0.10 0.00 0.51 0.00 0.00 43.02 41.14 3gr9 s PHE 242 CO -0.01 -0.34 0.15 1.33 0.70 0.00 0.00 175.22 177.04 3gr9 n VAL 243 N 4.61 0.00 -4.13 -0.44 0.24 -0.62 -5.04 118.33 112.95 3gr9 n VAL 243 Ca -0.17 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 61.89 3gr9 n VAL 243 Cb 0.51 0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.43 2.49 -1.27 1.34 1.43 -1.24 -5.06 118.68 112.94 3gr9 s LEU 244 Ca -0.02 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.94 3gr9 s LEU 244 Cb 0.04 0.04 0.12 0.00 0.03 0.00 0.00 46.19 46.42 3gr9 s LEU 244 CO 0.27 -0.51 1.65 -0.81 0.23 0.00 0.00 176.35 177.18 3gr9 n PRO 245 N 0.08 3.29 0.00 1.29 -0.05 -1.26 -4.40 135.00 133.95 3gr9 n PRO 245 Ca -0.13 -3.51 0.00 0.00 -0.05 0.00 0.00 63.50 59.81 3gr9 n PRO 245 Cb 0.61 -3.22 0.00 0.00 -0.05 0.00 0.00 33.50 30.83 3gr9 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3gr9 n GLY 246 N 4.47 0.75 0.04 0.55 0.00 -1.26 -5.01 105.19 104.73 3gr9 n GLY 246 Ca 0.43 -1.71 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 3gr9 n GLY 246 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gr9 n TYR 247 N 0.00 -0.39 -3.73 1.61 4.01 -0.71 -4.87 117.16 113.08 3gr9 n TYR 247 Ca 0.00 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 3gr9 n TYR 247 Cb 0.00 0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 3gr9 n TYR 247 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3gr9 s ASN 248 N -1.03 3.91 -0.21 7.72 2.47 -1.25 0.19 114.94 126.75 3gr9 s ASN 248 Ca 0.00 -1.98 0.17 0.00 0.42 0.00 0.00 52.86 51.47 3gr9 s ASN 248 Cb -0.00 -0.93 0.47 0.00 -1.45 0.00 0.00 41.25 39.33 3gr9 s ASN 248 CO 0.00 -0.37 1.16 1.33 -3.72 0.00 0.00 177.10 175.51 3gr9 n VAL 249 N 4.40 1.55 -2.01 -5.21 0.24 -0.10 -5.03 118.33 112.15 3gr9 n VAL 249 Ca 0.02 -2.99 -0.41 0.00 -2.04 0.00 0.00 64.34 58.92 3gr9 n VAL 249 Cb 0.40 0.30 -0.01 0.00 -1.47 0.00 0.00 33.84 33.05 3gr9 n VAL 249 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gr9 s ARG 250 N -2.95 4.27 0.87 7.34 0.52 -1.24 -1.41 118.95 126.35 3gr9 s ARG 250 Ca 0.37 2.34 -0.14 0.00 -0.52 0.00 0.00 55.73 57.78 3gr9 s ARG 250 Cb 0.37 -3.04 0.13 0.00 0.52 0.00 0.00 34.95 32.93 3gr9 s ARG 250 CO -0.05 -0.30 1.24 -1.25 0.02 0.00 0.00 175.30 174.96 3gr9 s PRO 251 N -1.89 1.40 0.05 3.54 0.04 -1.26 -4.32 135.00 132.56 3gr9 s PRO 251 Ca 0.50 -0.10 -0.13 0.00 0.04 0.00 0.00 61.00 61.31 3gr9 s PRO 251 Cb -0.42 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 3gr9 s PRO 251 CO 0.56 -1.95 0.44 -0.51 0.04 0.00 0.00 177.00 175.58 3gr9 s LEU 252 N -5.72 4.41 0.40 -3.56 1.43 -1.26 -4.07 118.68 110.31 3gr9 s LEU 252 Ca 0.67 0.94 0.16 0.00 -1.03 0.00 0.00 54.13 54.87 3gr9 s LEU 252 Cb -0.08 -2.85 1.04 0.00 0.03 0.00 0.00 46.19 44.33 3gr9 s LEU 252 CO 0.51 0.23 1.82 -0.08 0.23 0.00 0.00 176.35 179.06 3gr9 h GLU 253 N 4.17 0.44 0.40 1.70 4.57 -1.71 -0.51 114.58 123.64 3gr9 h GLU 253 Ca -0.50 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 3gr9 h GLU 253 Cb 1.21 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 3gr9 h GLU 253 CO 0.64 0.29 -0.19 0.52 -1.18 0.00 0.00 179.01 179.09 3gr9 h MET 254 N 0.45 -0.52 -0.97 1.92 2.86 -1.89 -0.69 114.93 116.09 3gr9 h MET 254 Ca 0.52 0.04 0.28 0.00 -2.06 0.00 0.00 59.70 58.48 3gr9 h MET 254 Cb 1.22 0.12 -0.14 0.00 0.06 0.00 0.00 31.60 32.86 3gr9 h MET 254 CO -0.23 -0.34 0.49 0.77 1.06 0.00 0.00 176.91 178.65 3gr9 h SER 255 N -0.55 0.41 -0.10 1.22 0.02 -1.36 0.44 113.55 113.63 3gr9 h SER 255 Ca -0.06 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3gr9 h SER 255 Cb 0.42 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3gr9 h SER 255 CO 0.09 -0.09 -0.02 1.23 -1.14 0.00 0.00 176.83 176.90 3gr9 h GLY 256 N 0.34 0.21 1.02 -3.77 0.00 -0.83 -1.65 103.07 98.39 3gr9 h GLY 256 Ca 0.67 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 3gr9 h GLY 256 CO -0.59 0.15 0.24 0.00 0.00 0.00 0.00 176.54 176.34 3gr9 h ALA 257 N 0.70 0.86 -0.82 3.60 0.00 0.93 -2.46 119.26 122.08 3gr9 h ALA 257 Ca 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3gr9 h ALA 257 Cb 0.41 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3gr9 h ALA 257 CO 0.01 0.51 0.40 0.82 0.00 0.00 0.00 179.25 180.99 3gr9 h ILE 258 N 0.95 1.25 -0.42 0.00 2.04 -0.30 -2.75 117.51 118.28 3gr9 h ILE 258 Ca 0.22 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3gr9 h ILE 258 Cb 0.25 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3gr9 h ILE 258 CO -0.01 0.30 0.26 1.23 0.00 0.00 0.00 178.15 179.93 3gr9 h GLY 259 N 1.16 0.60 -0.26 5.37 0.00 -1.00 -1.74 103.07 107.20 3gr9 h GLY 259 Ca 0.28 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.41 3gr9 h GLY 259 CO -0.04 0.23 -0.49 -2.22 0.00 0.00 0.00 176.54 174.03 3gr9 h ILE 260 N 0.56 0.00 -0.82 2.60 2.04 -1.14 0.38 117.51 121.12 3gr9 h ILE 260 Ca 0.15 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.22 3gr9 h ILE 260 Cb -0.02 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 35.92 3gr9 h ILE 260 CO -0.03 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.95 3gr9 h GLU 261 N -0.42 0.18 -0.11 2.37 4.39 -1.49 -1.08 114.58 118.42 3gr9 h GLU 261 Ca 0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 3gr9 h GLU 261 Cb 0.56 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3gr9 h GLU 261 CO -0.46 0.12 0.06 1.96 -1.16 0.00 0.00 179.01 179.53 3gr9 h GLN 262 N 0.19 0.16 -0.87 2.33 1.08 0.12 -2.39 115.11 115.73 3gr9 h GLN 262 Ca 0.49 -0.02 0.18 0.00 -1.45 0.00 0.00 58.65 57.85 3gr9 h GLN 262 Cb 0.94 -0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 28.23 3gr9 h GLN 262 CO -0.64 0.20 0.41 -0.07 -0.95 0.00 0.00 178.83 177.78 3gr9 h LEU 263 N 0.08 0.42 -1.11 1.46 3.38 0.90 0.12 115.31 120.55 3gr9 h LEU 263 Ca 0.04 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3gr9 h LEU 263 Cb 0.09 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3gr9 h LEU 263 CO -0.01 0.11 0.60 0.11 0.09 0.00 0.00 178.44 179.34 3gr9 h LYS 264 N 0.51 1.09 0.00 1.13 1.57 -0.92 -2.68 116.57 117.27 3gr9 h LYS 264 Ca 0.51 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 59.13 3gr9 h LYS 264 Cb 0.85 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3gr9 h LYS 264 CO -0.44 0.72 -0.55 0.87 -0.57 0.00 0.00 179.45 179.48 3gr9 h LYS 265 N 1.13 0.00 -0.98 3.15 1.57 -0.91 -3.40 116.57 117.13 3gr9 h LYS 265 Ca 0.37 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.26 3gr9 h LYS 265 Cb 0.06 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.23 3gr9 h LYS 265 CO -0.12 0.40 -0.51 1.25 -0.57 0.00 0.00 179.45 179.90 3gr9 h LEU 266 N 0.00 -1.89 -0.83 2.94 5.85 -0.84 -1.70 115.31 118.84 3gr9 h LEU 266 Ca -0.02 0.32 0.13 0.00 0.84 0.00 0.00 57.88 59.15 3gr9 h LEU 266 Cb 1.35 0.88 -0.14 0.00 0.37 0.00 0.00 40.66 43.12 3gr9 h LEU 266 CO 0.05 -0.26 -0.31 -2.65 -0.34 0.00 0.00 178.44 174.94 3gr9 n PRO 267 N -5.33 -0.18 -0.22 5.25 -0.02 -1.26 0.24 135.00 133.48 3gr9 n PRO 267 Ca 0.05 1.28 -0.07 0.00 -2.02 0.00 0.00 63.50 62.74 3gr9 n PRO 267 Cb 0.31 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3gr9 n PRO 267 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3gr9 h ARG 268 N 0.00 0.87 -0.69 -0.52 0.11 -1.62 -2.76 114.38 109.77 3gr9 h ARG 268 Ca 0.30 -0.12 0.09 0.00 0.10 0.00 0.00 59.98 60.35 3gr9 h ARG 268 Cb 0.51 -0.16 -0.07 0.00 1.11 0.00 0.00 29.97 31.36 3gr9 h ARG 268 CO -0.83 0.69 0.33 0.74 0.10 0.00 0.00 179.97 181.01 3gr9 h PHE 269 N 0.83 0.60 0.07 4.08 0.04 0.11 -1.55 116.94 121.13 3gr9 h PHE 269 Ca 0.21 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3gr9 h PHE 269 Cb 0.10 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 3gr9 h PHE 269 CO -0.00 0.21 -0.24 0.82 -0.60 0.00 0.00 178.31 178.50 3gr9 h ILE 270 N 0.57 0.00 -0.80 -0.55 1.08 -1.17 0.35 117.51 116.99 3gr9 h ILE 270 Ca 0.34 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.98 3gr9 h ILE 270 Cb 0.36 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.96 3gr9 h ILE 270 CO -0.27 0.00 -0.11 0.28 -0.69 0.00 0.00 178.15 177.36 3gr9 h SER 271 N -0.35 -0.58 0.97 1.72 0.02 -1.25 0.87 113.55 114.94 3gr9 h SER 271 Ca -0.01 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 3gr9 h SER 271 Cb 0.35 0.44 0.01 0.00 0.14 0.00 0.00 62.40 63.34 3gr9 h SER 271 CO -0.12 -0.24 -0.49 0.58 -1.14 0.00 0.00 176.83 175.41 3gr9 h VAL 272 N 0.04 0.01 -0.90 2.27 2.07 -0.60 -1.42 116.25 117.72 3gr9 h VAL 272 Ca 0.41 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.13 3gr9 h VAL 272 Cb 0.69 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 3gr9 h VAL 272 CO -0.77 0.00 0.59 0.03 0.02 0.00 0.00 177.57 177.44 3gr9 h ARG 273 N -1.33 0.45 0.00 1.57 3.08 0.58 0.16 114.38 118.89 3gr9 h ARG 273 Ca -0.13 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 3gr9 h ARG 273 Cb 1.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3gr9 h ARG 273 CO 0.20 0.30 -0.28 0.00 -1.07 0.00 0.00 179.97 179.12 3gr9 h ARG 274 N 0.46 0.00 0.02 0.04 2.47 0.11 -2.05 114.38 115.43 3gr9 h ARG 274 Ca 0.47 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.92 3gr9 h ARG 274 Cb 1.09 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.37 3gr9 h ARG 274 CO -0.19 0.28 -1.51 0.87 0.56 0.00 0.00 179.97 179.98 3gr9 h LYS 275 N 0.00 0.04 0.00 0.04 1.57 0.37 -2.05 116.57 116.54 3gr9 h LYS 275 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gr9 h LYS 275 Cb 0.67 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3gr9 h LYS 275 CO 0.04 0.73 -0.00 -0.91 -0.57 0.00 0.00 179.45 178.73 3gr9 h ASN 276 N 0.01 -0.00 -0.87 0.86 2.35 -1.27 -2.70 115.58 113.95 3gr9 h ASN 276 Ca -0.21 -0.78 0.18 0.00 -0.55 0.00 0.00 56.30 54.94 3gr9 h ASN 276 Cb 1.95 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 40.21 3gr9 h ASN 276 CO 0.10 0.78 0.43 0.00 -1.65 0.00 0.00 177.43 177.09 3gr9 h ALA 277 N 0.20 1.35 -0.14 -0.83 0.00 -1.45 0.84 119.26 119.23 3gr9 h ALA 277 Ca -0.00 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3gr9 h ALA 277 Cb 0.78 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3gr9 h ALA 277 CO 0.00 -0.19 -0.64 1.49 0.00 0.00 0.00 179.25 179.91 3gr9 h GLU 278 N 0.54 0.53 -0.87 0.00 4.81 -1.42 0.45 114.58 118.62 3gr9 h GLU 278 Ca 0.50 -0.38 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3gr9 h GLU 278 Cb 0.82 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 3gr9 h GLU 278 CO -0.43 1.00 0.53 -0.92 -0.73 0.00 0.00 179.01 178.46 3gr9 h TYR 279 N 0.38 0.97 -0.03 0.92 3.20 -0.72 -1.26 116.97 120.44 3gr9 h TYR 279 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3gr9 h TYR 279 Cb 1.21 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3gr9 h TYR 279 CO 0.05 0.45 -0.01 0.35 -1.64 0.00 0.00 178.16 177.36 3gr9 h PHE 280 N 0.93 0.07 -0.25 -3.82 3.57 0.14 -2.79 116.94 114.79 3gr9 h PHE 280 Ca 0.40 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.95 3gr9 h PHE 280 Cb 0.27 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3gr9 h PHE 280 CO -0.04 0.45 0.18 -0.07 -2.23 0.00 0.00 178.31 176.60 3gr9 h LEU 281 N -0.32 0.00 -0.05 0.59 4.07 0.60 -1.74 115.31 118.46 3gr9 h LEU 281 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3gr9 h LEU 281 Cb 0.43 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 3gr9 h LEU 281 CO 0.00 0.00 -0.03 -0.78 -1.08 0.00 0.00 178.44 176.56 3gr9 h ASP 282 N 0.00 0.10 -0.17 -0.43 3.58 -1.13 0.29 116.42 118.67 3gr9 h ASP 282 Ca 0.12 -0.42 -0.10 0.00 0.42 0.00 0.00 57.03 57.05 3gr9 h ASP 282 Cb 0.48 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3gr9 h ASP 282 CO -0.00 0.51 -0.22 0.11 -2.88 0.00 0.00 179.24 176.76 3gr9 h LYS 283 N -0.30 0.61 -0.03 0.28 1.79 -1.16 -3.11 116.57 114.66 3gr9 h LYS 283 Ca 0.01 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3gr9 h LYS 283 Cb 0.47 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 3gr9 h LYS 283 CO 0.01 0.78 -0.04 1.19 -1.08 0.00 0.00 179.45 180.30 3gr9 n PHE 284 N -4.13 0.00 0.28 -1.35 3.01 -0.70 -4.54 117.46 110.03 3gr9 n PHE 284 Ca 0.00 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.62 3gr9 n PHE 284 Cb 0.40 0.00 0.91 0.00 -0.01 0.00 0.00 39.48 40.78 3gr9 n PHE 284 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3gr9 h LYS 285 N 3.98 0.00 -0.63 -1.08 2.10 -0.33 -1.95 116.57 118.65 3gr9 h LYS 285 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 3gr9 h LYS 285 Cb 0.87 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.00 3gr9 h LYS 285 CO 0.00 0.00 0.21 -0.25 -2.00 0.00 0.00 179.45 177.41 3gr9 n ASP 286 N -3.82 3.14 -4.74 7.07 8.00 -1.26 -5.04 116.55 119.90 3gr9 n ASP 286 Ca -0.02 -3.73 -0.42 0.00 0.71 0.00 0.00 54.79 51.33 3gr9 n ASP 286 Cb 0.13 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 3gr9 n ASP 286 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gr9 s HIS 287 N -3.30 3.10 0.31 1.24 2.46 -0.74 -4.93 115.29 113.44 3gr9 s HIS 287 Ca 0.50 0.99 -0.00 0.00 0.47 0.00 0.00 55.06 57.02 3gr9 s HIS 287 Cb 0.44 -3.78 0.51 0.00 -0.13 0.00 0.00 32.58 29.62 3gr9 s HIS 287 CO 0.04 -2.59 1.95 -1.00 -2.47 0.00 0.00 174.74 170.67 3gr9 h PRO 288 N 5.58 0.93 0.00 2.88 0.13 -1.92 -3.32 132.00 136.29 3gr9 h PRO 288 Ca -0.45 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3gr9 h PRO 288 Cb 1.21 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3gr9 h PRO 288 CO 0.81 0.66 0.00 2.48 -0.23 0.00 0.00 178.00 181.72 3gr9 n TYR 289 N -4.39 0.00 -5.08 1.56 4.11 -1.26 -4.91 117.16 107.19 3gr9 n TYR 289 Ca 0.07 -0.18 -0.32 0.00 -0.00 0.00 0.00 57.90 57.47 3gr9 n TYR 289 Cb 0.08 -0.02 -0.16 0.00 -0.00 0.00 0.00 39.34 39.24 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 -0.36 2.31 -0.02 -3.48 1.43 -1.25 0.72 118.68 118.03 3gr9 s LEU 290 Ca 0.00 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3gr9 s LEU 290 Cb 0.00 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 3gr9 s LEU 290 CO 0.00 0.18 0.08 -1.81 0.23 0.00 0.00 176.35 175.03 3gr9 s ASP 291 N 0.24 5.69 0.00 2.29 1.01 0.29 -4.61 116.67 121.58 3gr9 s ASP 291 Ca -0.14 0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.29 3gr9 s ASP 291 Cb -0.17 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.12 3gr9 s ASP 291 CO 0.07 0.29 0.00 1.33 0.21 0.00 0.00 175.17 177.07 3gr9 n VAL 292 N 1.30 0.00 -2.96 -1.27 0.24 -1.26 0.63 118.33 115.00 3gr9 n VAL 292 Ca -0.14 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 3gr9 n VAL 292 Cb 0.53 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.79 3gr9 n VAL 292 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3gr9 s GLN 293 N -0.57 4.32 -0.46 7.34 0.74 -1.26 -4.92 119.66 124.86 3gr9 s GLN 293 Ca 0.00 0.92 -0.28 0.00 0.05 0.00 0.00 55.36 56.06 3gr9 s GLN 293 Cb 0.00 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.59 3gr9 s GLN 293 CO 0.00 -0.21 1.06 -1.14 -0.55 0.00 0.00 175.29 174.44 3gr9 s GLN 294 N 1.77 3.69 -0.02 1.67 0.74 -1.02 -5.01 119.66 121.47 3gr9 s GLN 294 Ca 0.37 0.46 -0.28 0.00 0.05 0.00 0.00 55.36 55.96 3gr9 s GLN 294 Cb -0.17 -3.90 -0.03 0.00 1.10 0.00 0.00 33.01 30.01 3gr9 s GLN 294 CO 0.14 -1.28 0.89 -2.00 -0.55 0.00 0.00 175.29 172.49 3gr9 s GLU 295 N 4.14 4.52 -0.12 1.67 2.12 -1.26 -4.52 118.70 125.25 3gr9 s GLU 295 Ca 0.44 1.25 -0.01 0.00 0.36 0.00 0.00 54.97 57.01 3gr9 s GLU 295 Cb -0.09 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.83 3gr9 s GLU 295 CO 0.28 -0.01 -0.08 0.99 -0.54 0.00 0.00 175.26 175.90 3gr9 s THR 296 N 0.93 3.51 0.00 -1.70 2.01 -1.26 -5.00 115.64 114.13 3gr9 s THR 296 Ca 0.47 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3gr9 s THR 296 Cb -0.20 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.82 3gr9 s THR 296 CO 0.25 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 3gr9 n GLY 297 N 3.20 4.14 2.66 4.40 0.00 -1.26 -3.94 105.19 114.39 3gr9 n GLY 297 Ca -0.18 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.83 0.84 1.61 2.02 -0.13 -5.00 118.70 118.87 3gr9 s GLU 298 Ca 0.00 -1.39 -0.11 0.00 0.02 0.00 0.00 54.97 53.49 3gr9 s GLU 298 Cb 0.00 -1.92 0.10 0.00 0.10 0.00 0.00 34.13 32.41 3gr9 s GLU 298 CO 0.00 -1.09 1.15 0.45 0.02 0.00 0.00 175.26 175.80 3gr9 s SER 299 N 1.14 3.55 -0.26 -0.19 0.15 -1.25 -2.10 113.70 114.73 3gr9 s SER 299 Ca 0.14 2.17 0.12 0.00 0.70 0.00 0.00 55.95 59.07 3gr9 s SER 299 Cb -0.21 -2.56 0.52 0.00 -1.71 0.00 0.00 66.02 62.05 3gr9 s SER 299 CO -0.13 -2.69 1.46 -1.54 1.20 0.00 0.00 173.24 171.55 3gr9 n SER 300 N -3.70 3.00 -3.09 5.45 3.41 -0.07 -4.85 113.62 113.78 3gr9 n SER 300 Ca 0.12 -3.49 -0.06 0.00 -0.26 0.00 0.00 58.87 55.17 3gr9 n SER 300 Cb 0.52 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.93 -0.35 -0.24 7.33 7.02 -1.25 -4.74 117.44 124.27 3gr9 n TRP 301 Ca 0.30 0.11 0.03 0.00 -1.02 0.00 0.00 57.50 56.92 3gr9 n TRP 301 Cb 1.00 -0.54 0.15 0.00 -2.42 0.00 0.00 31.31 29.51 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 1.15 0.51 -2.33 -5.99 3.57 -1.10 -3.43 116.94 109.32 3gr9 h PHE 302 Ca -0.13 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.59 3gr9 h PHE 302 Cb 0.28 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3gr9 h PHE 302 CO 0.05 0.11 0.61 0.41 -2.23 0.00 0.00 178.31 177.26 3gr9 n GLY 303 N -1.31 0.56 3.48 2.40 0.00 -1.24 -3.34 105.19 105.73 3gr9 n GLY 303 Ca 0.12 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.42 3.12 0.18 1.61 0.08 0.13 -4.86 117.98 115.82 3gr9 s PHE 304 Ca 0.22 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.97 3gr9 s PHE 304 Cb -0.02 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.12 3gr9 s PHE 304 CO 0.03 -0.31 0.38 -1.54 -0.10 0.00 0.00 175.22 173.68 3gr9 s SER 305 N 1.64 6.40 -0.04 1.36 1.04 -1.26 -0.51 113.70 122.34 3gr9 s SER 305 Ca 0.07 0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.91 3gr9 s SER 305 Cb -0.15 -2.02 0.03 0.00 0.10 0.00 0.00 66.02 63.98 3gr9 s SER 305 CO 0.05 -0.01 0.02 -0.36 0.98 0.00 0.00 173.24 173.92 3gr9 s PHE 306 N -1.81 0.27 -0.16 5.02 0.08 -0.11 -4.28 117.98 116.99 3gr9 s PHE 306 Ca 0.39 0.06 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 3gr9 s PHE 306 Cb -0.11 -0.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.85 3gr9 s PHE 306 CO 0.28 -0.17 -0.11 0.42 -0.10 0.00 0.00 175.22 175.54 3gr9 s ILE 307 N 1.49 3.09 0.15 0.64 1.01 0.21 -1.28 121.20 126.51 3gr9 s ILE 307 Ca -0.03 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.68 3gr9 s ILE 307 Cb -0.13 -2.33 -0.09 0.00 0.01 0.00 0.00 42.46 39.93 3gr9 s ILE 307 CO -0.03 0.50 1.42 -0.63 0.00 0.00 0.00 174.94 176.20 3gr9 s ILE 308 N 0.72 3.07 0.44 2.92 1.09 -0.59 0.10 121.20 128.96 3gr9 s ILE 308 Ca -0.05 0.80 -0.25 0.00 -1.10 0.00 0.00 60.65 60.04 3gr9 s ILE 308 Cb -0.15 -3.51 -0.08 0.00 -1.06 0.00 0.00 42.46 37.65 3gr9 s ILE 308 CO 0.02 0.08 1.43 -0.54 -0.10 0.00 0.00 174.94 175.82 3gr9 s LYS 309 N 0.74 3.72 0.34 2.79 1.02 0.22 -4.85 119.74 123.73 3gr9 s LYS 309 Ca 0.64 2.42 -0.29 0.00 0.02 0.00 0.00 55.97 58.76 3gr9 s LYS 309 Cb -0.39 -2.68 -0.11 0.00 -0.52 0.00 0.00 37.83 34.13 3gr9 s LYS 309 CO 0.33 -0.79 1.54 1.17 -0.92 0.00 0.00 175.35 176.68 3gr9 n LYS 310 N -0.14 2.69 -1.82 1.68 4.81 -1.26 -2.83 118.16 121.28 3gr9 n LYS 310 Ca 0.05 0.95 -0.13 0.00 -0.87 0.00 0.00 58.31 58.31 3gr9 n LYS 310 Cb 0.42 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.73 3gr9 n LYS 310 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gr9 n ASP 311 N 1.22 -4.31 -0.00 3.14 8.00 -1.26 -4.90 116.55 118.43 3gr9 n ASP 311 Ca 0.04 0.15 0.10 0.00 0.71 0.00 0.00 54.79 55.80 3gr9 n ASP 311 Cb 0.38 -3.24 -0.12 0.00 -0.02 0.00 0.00 41.12 38.12 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 -0.30 0.60 0.00 -2.24 3.41 -1.13 -4.99 113.62 108.97 3gr9 n SER 312 Ca -0.14 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 3gr9 n SER 312 Cb 0.53 1.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 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 1.40 2.69 3.69 5.00 0.00 -1.26 -4.98 105.19 111.73 3gr9 n GLY 313 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3gr9 n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr9 s VAL 314 N -1.70 3.13 -0.15 1.61 1.01 -1.26 -4.99 120.40 118.05 3gr9 s VAL 314 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 3gr9 s VAL 314 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3gr9 s VAL 314 CO 0.00 -0.00 0.15 -0.63 0.00 0.00 0.00 175.10 174.62 3gr9 s ILE 315 N 2.60 5.45 0.21 2.22 1.01 -1.26 -5.02 121.20 126.42 3gr9 s ILE 315 Ca 0.72 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 61.51 3gr9 s ILE 315 Cb -0.39 -3.44 0.15 0.00 0.01 0.00 0.00 42.46 38.79 3gr9 s ILE 315 CO 0.31 0.54 1.76 -0.09 0.00 0.00 0.00 174.94 177.46 3gr9 h ARG 316 N 5.67 0.46 -0.60 2.79 1.12 -1.94 -2.78 114.38 119.10 3gr9 h ARG 316 Ca -0.49 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.29 3gr9 h ARG 316 Cb 1.20 -0.10 -0.03 0.00 -0.01 0.00 0.00 29.97 31.03 3gr9 h ARG 316 CO 0.66 0.30 0.14 -0.22 -3.11 0.00 0.00 179.97 177.74 3gr9 h LYS 317 N 0.47 0.93 -0.85 0.20 3.64 -1.96 -0.68 116.57 118.33 3gr9 h LYS 317 Ca 0.31 -0.20 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 3gr9 h LYS 317 Cb 0.35 -0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 3gr9 h LYS 317 CO -0.28 0.84 0.43 1.96 -2.27 0.00 0.00 179.45 180.13 3gr9 h GLN 318 N 0.89 0.60 -0.37 1.90 1.08 -1.92 0.42 115.11 117.71 3gr9 h GLN 318 Ca 0.19 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.24 3gr9 h GLN 318 Cb 0.33 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3gr9 h GLN 318 CO 0.00 0.39 -0.26 -0.07 -0.95 0.00 0.00 178.83 177.94 3gr9 h LEU 319 N 0.61 0.77 -0.50 1.46 3.38 -1.29 -2.88 115.31 116.87 3gr9 h LEU 319 Ca 0.47 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3gr9 h LEU 319 Cb 0.67 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3gr9 h LEU 319 CO -0.37 1.00 -0.75 0.58 0.09 0.00 0.00 178.44 178.99 3gr9 h VAL 320 N 0.65 1.51 0.22 1.22 2.07 0.45 -2.54 116.25 119.83 3gr9 h VAL 320 Ca 0.08 -2.48 0.01 0.00 0.82 0.00 0.00 66.70 65.13 3gr9 h VAL 320 Cb 0.77 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3gr9 h VAL 320 CO 0.06 0.71 -0.26 -0.08 0.02 0.00 0.00 177.57 178.03 3gr9 h GLU 321 N 0.04 -0.51 0.07 1.57 4.57 -0.07 -2.11 114.58 118.14 3gr9 h GLU 321 Ca -0.01 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3gr9 h GLU 321 Cb 1.32 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 3gr9 h GLU 321 CO 0.10 -0.34 -0.04 -0.91 -1.18 0.00 0.00 179.01 176.65 3gr9 h ASN 322 N -0.53 -0.08 -0.21 1.04 -0.26 -1.49 0.35 115.58 114.40 3gr9 h ASN 322 Ca 0.00 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3gr9 h ASN 322 Cb 0.51 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 3gr9 h ASN 322 CO -0.08 -0.00 0.11 -0.07 -1.06 0.00 0.00 177.43 176.32 3gr9 h LEU 323 N -0.16 0.30 -0.13 1.61 3.38 -1.45 -0.31 115.31 118.55 3gr9 h LEU 323 Ca -0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3gr9 h LEU 323 Cb 0.13 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gr9 h LEU 323 CO 0.02 0.27 -0.30 0.78 0.09 0.00 0.00 178.44 179.30 3gr9 h ASN 324 N 0.34 0.49 0.00 -0.43 -0.26 -0.89 0.98 115.58 115.81 3gr9 h ASN 324 Ca 0.09 -0.57 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 3gr9 h ASN 324 Cb 0.05 -0.14 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 3gr9 h ASN 324 CO -0.01 0.97 0.00 -1.54 -1.06 0.00 0.00 177.43 175.79 3gr9 n SER 325 N -4.40 0.00 -0.27 5.81 3.41 0.12 -1.37 113.62 116.92 3gr9 n SER 325 Ca -0.07 -0.56 0.08 0.00 -0.26 0.00 0.00 58.87 58.06 3gr9 n SER 325 Cb 0.48 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.57 3gr9 n SER 325 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gr9 n ALA 326 N -0.95 2.38 -0.52 7.33 0.00 -0.22 -4.93 120.51 123.61 3gr9 n ALA 326 Ca 0.11 -2.25 0.00 0.00 0.00 0.00 0.00 53.44 51.30 3gr9 n ALA 326 Cb 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.00 1.20 3.67 0.00 0.00 -0.47 -4.96 105.19 103.63 3gr9 n GLY 327 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.78 4.32 -0.13 -0.61 1.01 0.34 -4.97 121.20 118.37 3gr9 s ILE 328 Ca 0.00 1.62 -0.25 0.00 0.00 0.00 0.00 60.65 62.02 3gr9 s ILE 328 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3gr9 s ILE 328 CO 0.00 -0.07 0.79 -1.83 0.00 0.00 0.00 174.94 173.83 3gr9 s GLU 329 N 2.81 4.34 0.33 2.79 -1.05 -1.26 -3.50 118.70 123.16 3gr9 s GLU 329 Ca 0.54 0.97 0.05 0.00 -0.15 0.00 0.00 54.97 56.39 3gr9 s GLU 329 Cb -0.22 -3.53 -0.03 0.00 -0.44 0.00 0.00 34.13 29.90 3gr9 s GLU 329 CO 0.18 -0.20 0.23 0.00 0.95 0.00 0.00 175.26 176.41 3gr9 s ARG 331 N -3.61 0.95 0.93 0.00 1.70 -0.96 -4.98 118.95 112.99 3gr9 s ARG 331 Ca 0.37 -0.58 -0.11 0.00 -0.47 0.00 0.00 55.73 54.95 3gr9 s ARG 331 Cb 0.03 0.29 0.15 0.00 -0.57 0.00 0.00 34.95 34.85 3gr9 s ARG 331 CO 0.23 -0.44 1.10 -2.14 -1.08 0.00 0.00 175.30 172.96 3gr9 s PRO 332 N -2.50 0.92 -0.17 3.89 0.02 -1.26 0.18 135.00 136.08 3gr9 s PRO 332 Ca 0.19 1.12 -0.28 0.00 0.02 0.00 0.00 61.00 62.05 3gr9 s PRO 332 Cb -0.00 -1.75 -0.01 0.00 0.02 0.00 0.00 34.50 32.76 3gr9 s PRO 332 CO 0.02 -2.56 0.95 0.42 -0.33 0.00 0.00 177.00 175.50 3gr9 s ILE 333 N -2.75 4.79 0.00 2.83 1.09 -1.26 -4.29 121.20 121.61 3gr9 s ILE 333 Ca 0.65 1.89 0.00 0.00 -1.10 0.00 0.00 60.65 62.09 3gr9 s ILE 333 Cb -0.21 -4.25 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 3gr9 s ILE 333 CO 0.59 -0.04 0.00 0.52 -0.10 0.00 0.00 174.94 175.90 3gr9 n VAL 334 N 4.85 0.00 -0.12 2.92 0.31 -1.26 0.20 118.33 125.23 3gr9 n VAL 334 Ca 0.08 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.45 3gr9 n VAL 334 Cb 0.48 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.98 -3.04 2.52 -2.24 -1.26 -5.05 114.28 106.19 3gr9 n THR 335 Ca 0.00 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.79 3gr9 n THR 335 Cb 0.00 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 0.27 0.28 3.60 3.38 0.00 0.55 -4.75 105.19 108.53 3gr9 n GLY 336 Ca 0.09 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 6.56 0.43 1.61 2.47 -1.26 -4.58 114.94 116.17 3gr9 s ASN 337 Ca 0.00 0.51 0.18 0.00 0.42 0.00 0.00 52.86 53.97 3gr9 s ASN 337 Cb 0.00 -2.36 0.96 0.00 -1.45 0.00 0.00 41.25 38.39 3gr9 s ASN 337 CO 0.00 -0.55 1.91 0.15 -3.72 0.00 0.00 177.10 174.89 3gr9 h PHE 338 N 8.18 0.00 -0.73 0.43 3.57 -1.56 -3.00 116.94 123.83 3gr9 h PHE 338 Ca -0.26 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.29 3gr9 h PHE 338 Cb 1.11 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.80 3gr9 h PHE 338 CO 0.77 0.27 0.48 -0.07 -2.23 0.00 0.00 178.31 177.53 3gr9 h LEU 339 N 0.00 0.72 -1.94 0.59 -0.00 -1.93 -1.77 115.31 110.99 3gr9 h LEU 339 Ca -0.00 -0.00 0.33 0.00 -0.00 0.00 0.00 57.88 58.20 3gr9 h LEU 339 Cb 0.54 -0.16 -0.05 0.00 -0.00 0.00 0.00 40.66 40.99 3gr9 h LEU 339 CO 0.04 0.49 0.87 0.07 -0.00 0.00 0.00 178.44 179.90 3gr9 h LYS 340 N 0.83 0.00 -3.50 1.13 2.10 -1.92 -3.22 116.57 112.00 3gr9 h LYS 340 Ca 0.30 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.44 3gr9 h LYS 340 Cb 0.14 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.49 3gr9 h LYS 340 CO -0.09 0.00 2.95 0.09 -2.00 0.00 0.00 179.45 180.39 3gr9 n ASN 341 N -4.06 5.57 -0.04 7.07 3.02 -0.67 -4.70 115.26 121.45 3gr9 n ASN 341 Ca 0.24 -2.47 0.24 0.00 -0.03 0.00 0.00 54.58 52.56 3gr9 n ASN 341 Cb 1.24 -1.26 0.72 0.00 -0.61 0.00 0.00 39.78 39.87 3gr9 n ASN 341 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gr9 h THR 342 N 3.50 0.48 -0.39 3.41 2.02 -1.85 -2.41 112.91 117.66 3gr9 h THR 342 Ca 0.59 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.74 3gr9 h THR 342 Cb 0.29 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3gr9 h THR 342 CO 1.63 0.00 0.12 0.44 0.37 0.00 0.00 175.52 178.09 3gr9 h ASP 343 N 0.00 0.57 0.61 4.18 5.19 -1.92 -3.03 116.42 122.03 3gr9 h ASP 343 Ca 0.31 -0.20 -0.28 0.00 -0.62 0.00 0.00 57.03 56.24 3gr9 h ASP 343 Cb 1.39 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.73 3gr9 h ASP 343 CO -0.00 0.63 -1.43 1.62 -3.12 0.00 0.00 179.24 176.94 3gr9 h VAL 344 N 0.49 1.24 -0.04 -1.35 3.04 -1.86 -3.34 116.25 114.43 3gr9 h VAL 344 Ca 0.13 -2.95 0.01 0.00 -1.01 0.00 0.00 66.70 62.88 3gr9 h VAL 344 Cb 0.26 2.70 -0.00 0.00 -2.01 0.00 0.00 31.29 32.24 3gr9 h VAL 344 CO -0.00 0.79 0.05 -0.07 -1.01 0.00 0.00 177.57 177.32 3gr9 h LEU 345 N 0.03 0.00 -2.01 3.16 3.38 -1.44 -1.38 115.31 117.05 3gr9 h LEU 345 Ca -0.19 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3gr9 h LEU 345 Cb 1.95 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 3gr9 h LEU 345 CO 0.13 0.00 0.38 0.11 0.09 0.00 0.00 178.44 179.16 3gr9 h LYS 346 N 0.00 0.00 0.00 1.13 1.57 -1.66 0.40 116.57 118.01 3gr9 h LYS 346 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gr9 h LYS 346 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3gr9 h LYS 346 CO -0.00 0.00 -0.67 1.88 -0.57 0.00 0.00 179.45 180.09 3gr9 h TYR 347 N 0.00 0.00 -3.59 -1.35 0.05 -1.52 -3.47 116.97 107.09 3gr9 h TYR 347 Ca 0.12 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.44 3gr9 h TYR 347 Cb 0.89 0.00 0.08 0.00 1.01 0.00 0.00 36.73 38.71 3gr9 h TYR 347 CO 0.00 0.00 0.21 -0.06 -1.05 0.00 0.00 178.16 177.26 3gr9 s PHE 348 N -3.25 2.77 -0.49 4.88 0.40 0.14 -5.02 117.98 117.41 3gr9 s PHE 348 Ca 0.04 0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 3gr9 s PHE 348 Cb 0.11 -3.19 0.14 0.00 0.51 0.00 0.00 43.02 40.58 3gr9 s PHE 348 CO 0.74 -1.44 0.27 0.34 0.70 0.00 0.00 175.22 175.82 3gr9 s ASP 349 N -4.54 3.99 0.43 1.36 -1.08 -1.26 -5.03 116.67 110.54 3gr9 s ASP 349 Ca 0.61 -2.89 0.04 0.00 -0.52 0.00 0.00 52.55 49.79 3gr9 s ASP 349 Cb -0.10 -1.34 -0.02 0.00 -1.46 0.00 0.00 42.92 40.00 3gr9 s ASP 349 CO 0.45 -0.24 0.15 -0.72 0.52 0.00 0.00 175.17 175.33 3gr9 s TYR 350 N -0.07 1.78 0.21 -5.34 1.13 -1.26 -1.51 117.35 112.29 3gr9 s TYR 350 Ca 0.18 -1.36 -0.11 0.00 -1.41 0.00 0.00 57.07 54.37 3gr9 s TYR 350 Cb -0.23 -1.14 -0.00 0.00 -1.10 0.00 0.00 41.96 39.48 3gr9 s TYR 350 CO -0.01 -0.36 0.40 -0.08 -2.51 0.00 0.00 175.55 172.98 3gr9 s THR 351 N -3.16 0.02 -0.08 -3.49 -1.32 -0.03 -4.93 115.64 102.65 3gr9 s THR 351 Ca 0.21 -1.38 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 3gr9 s THR 351 Cb 0.01 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 3gr9 s THR 351 CO 0.15 -0.10 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.58 3gr9 s VAL 352 N -4.00 1.64 -0.53 5.08 1.01 -1.26 -1.13 120.40 121.21 3gr9 s VAL 352 Ca 0.21 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 3gr9 s VAL 352 Cb 0.01 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3gr9 s VAL 352 CO 0.05 0.47 1.10 -2.28 0.00 0.00 0.00 175.10 174.44 3gr9 s HIS 353 N 0.41 2.74 0.00 5.22 2.46 0.61 -4.79 115.29 121.94 3gr9 s HIS 353 Ca -0.15 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.81 3gr9 s HIS 353 Cb -0.16 -4.35 0.00 0.00 -0.13 0.00 0.00 32.58 27.94 3gr9 s HIS 353 CO 0.06 -1.39 0.00 -1.71 -2.47 0.00 0.00 174.74 169.23 3gr9 n ASN 354 N 7.93 0.00 -4.24 9.88 5.15 -1.26 -4.64 115.26 128.08 3gr9 n ASN 354 Ca 0.08 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.90 3gr9 n ASN 354 Cb 0.49 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.64 3gr9 n ASN 354 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gr9 s ASN 355 N -4.00 0.98 -0.30 1.20 6.03 -1.26 -5.01 114.94 112.57 3gr9 s ASN 355 Ca 0.00 -1.41 0.14 0.00 -1.03 0.00 0.00 52.86 50.56 3gr9 s ASN 355 Cb 0.00 0.25 0.47 0.00 -3.03 0.00 0.00 41.25 38.94 3gr9 s ASN 355 CO 0.00 -0.78 1.12 1.33 -2.03 0.00 0.00 177.10 176.74 3gr9 n VAL 356 N -0.43 1.88 -0.25 3.54 0.24 -1.26 -4.26 118.33 117.79 3gr9 n VAL 356 Ca 0.01 -3.72 0.29 0.00 -2.04 0.00 0.00 64.34 58.88 3gr9 n VAL 356 Cb 0.66 -0.08 0.69 0.00 -1.47 0.00 0.00 33.84 33.64 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 2.49 0.10 0.64 -1.34 5.19 -1.97 0.28 116.42 121.80 3gr9 h ASP 357 Ca 0.12 0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.28 3gr9 h ASP 357 Cb 1.32 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.81 3gr9 h ASP 357 CO 0.54 0.03 -1.34 0.78 -3.12 0.00 0.00 179.24 176.12 3gr9 h ASN 358 N 0.09 0.27 0.40 6.45 2.35 -1.88 -1.69 115.58 121.57 3gr9 h ASN 358 Ca 0.50 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 3gr9 h ASN 358 Cb 1.81 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 40.08 3gr9 h ASN 358 CO -0.06 1.28 -0.52 0.00 -1.65 0.00 0.00 177.43 176.47 3gr9 h ALA 359 N 0.68 1.03 -0.13 -0.83 0.00 -1.35 0.13 119.26 118.79 3gr9 h ALA 359 Ca -0.16 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 3gr9 h ALA 359 Cb 1.95 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3gr9 h ALA 359 CO 0.16 0.67 -0.07 0.93 0.00 0.00 0.00 179.25 180.94 3gr9 h GLU 360 N 0.11 0.28 0.92 0.00 5.08 -1.10 -1.46 114.58 118.40 3gr9 h GLU 360 Ca 0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3gr9 h GLU 360 Cb 0.96 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.22 3gr9 h GLU 360 CO 0.08 0.61 -0.44 -0.92 -1.00 0.00 0.00 179.01 177.34 3gr9 h TYR 361 N -0.07 -1.14 -0.94 4.33 5.03 -0.98 -2.82 116.97 120.39 3gr9 h TYR 361 Ca 0.03 -0.03 0.28 0.00 2.58 0.00 0.00 58.73 61.59 3gr9 h TYR 361 Cb 0.53 0.38 -0.16 0.00 1.55 0.00 0.00 36.73 39.03 3gr9 h TYR 361 CO 0.07 -0.71 0.24 1.25 -1.32 0.00 0.00 178.16 177.69 3gr9 h LEU 362 N -1.25 -0.07 -0.84 2.82 6.46 -0.80 -1.17 115.31 120.46 3gr9 h LEU 362 Ca -0.13 0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.93 3gr9 h LEU 362 Cb 0.94 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 41.14 3gr9 h LEU 362 CO 0.21 -0.26 0.52 -0.78 -0.62 0.00 0.00 178.44 177.51 3gr9 h ASP 363 N 0.12 0.81 0.11 1.25 3.58 -1.00 0.39 116.42 121.68 3gr9 h ASP 363 Ca 0.62 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.09 3gr9 h ASP 363 Cb 1.35 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.25 3gr9 h ASP 363 CO -0.75 0.52 -1.07 0.29 -2.88 0.00 0.00 179.24 175.34 3gr9 n LYS 364 N -4.64 0.12 0.00 0.28 4.76 -0.54 -4.43 118.16 113.72 3gr9 n LYS 364 Ca 0.12 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3gr9 n LYS 364 Cb 0.18 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 3gr9 n LYS 364 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3gr9 n ASN 365 N -1.66 1.38 -4.51 4.39 3.02 -0.64 -4.68 115.26 112.56 3gr9 n ASN 365 Ca 0.03 -1.66 -0.32 0.00 -0.03 0.00 0.00 54.58 52.60 3gr9 n ASN 365 Cb 0.38 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.66 1.60 0.18 7.41 0.00 0.13 -1.54 107.32 114.45 3gr9 s GLY 366 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.70 3gr9 s GLY 366 CO 0.00 -0.85 0.04 0.48 0.00 0.00 0.00 173.10 172.76 3gr9 s LEU 367 N -1.05 1.91 0.01 0.66 -0.00 -0.41 -4.40 118.68 115.40 3gr9 s LEU 367 Ca 0.14 -1.23 -0.02 0.00 -0.00 0.00 0.00 54.13 53.02 3gr9 s LEU 367 Cb -0.11 0.04 -0.01 0.00 -0.00 0.00 0.00 46.19 46.11 3gr9 s LEU 367 CO 0.03 -0.64 0.02 0.12 -0.00 0.00 0.00 176.35 175.88 3gr9 s PHE 368 N -3.77 0.14 0.01 3.48 2.19 0.47 -0.94 117.98 119.56 3gr9 s PHE 368 Ca 0.28 -0.28 0.03 0.00 0.33 0.00 0.00 56.93 57.28 3gr9 s PHE 368 Cb 0.07 -0.11 -0.01 0.00 -1.31 0.00 0.00 43.02 41.66 3gr9 s PHE 368 CO 0.06 -0.16 -0.09 0.14 1.83 0.00 0.00 175.22 177.00 3gr9 s VAL 369 N -1.02 0.72 0.69 3.12 -7.23 0.34 -2.25 120.40 114.76 3gr9 s VAL 369 Ca -0.11 -0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 3gr9 s VAL 369 Cb -0.07 -0.65 0.01 0.00 0.56 0.00 0.00 36.38 36.24 3gr9 s VAL 369 CO -0.00 0.04 1.11 -0.83 -0.31 0.00 0.00 175.10 175.10 3gr9 s GLY 370 N -0.64 2.04 0.16 2.32 0.00 -1.26 0.22 107.32 110.14 3gr9 s GLY 370 Ca 0.00 0.48 0.11 0.00 0.00 0.00 0.00 44.72 45.32 3gr9 s GLY 370 CO 0.00 0.83 -0.24 0.21 0.00 0.00 0.00 173.10 173.90 3gr9 s ASN 371 N -2.77 3.46 0.14 1.64 2.47 -1.21 -4.59 114.94 114.07 3gr9 s ASN 371 Ca 0.66 -0.77 -0.06 0.00 0.42 0.00 0.00 52.86 53.10 3gr9 s ASN 371 Cb -0.20 -0.29 -0.02 0.00 -1.45 0.00 0.00 41.25 39.30 3gr9 s ASN 371 CO 0.45 0.15 0.19 -1.00 -3.72 0.00 0.00 177.10 173.17 3gr9 s HIS 372 N -1.34 0.49 -0.35 0.43 3.76 -1.26 -4.80 115.29 112.22 3gr9 s HIS 372 Ca 0.18 -0.88 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 3gr9 s HIS 372 Cb -0.09 -0.19 0.00 0.00 1.11 0.00 0.00 32.58 33.41 3gr9 s HIS 372 CO 0.08 -0.62 0.77 0.00 -0.85 0.00 0.00 174.74 174.12 3gr9 n GLN 373 N -0.14 0.93 -4.49 1.40 0.00 -1.26 -4.27 117.38 109.55 3gr9 n GLN 373 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.71 3gr9 n GLN 373 Cb 0.63 -1.18 -0.15 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 -0.30 0.93 0.17 -0.39 -4.36 -1.26 -4.87 121.20 111.12 3gr9 s ILE 374 Ca 0.00 -0.55 -0.32 0.00 -0.26 0.00 0.00 60.65 59.52 3gr9 s ILE 374 Cb 0.00 -0.78 -0.16 0.00 1.25 0.00 0.00 42.46 42.76 3gr9 s ILE 374 CO 0.00 0.23 0.95 1.21 0.24 0.00 0.00 174.94 177.56 3gr9 n GLU 375 N 2.70 0.70 -1.28 0.37 2.13 -1.26 -4.90 120.64 119.09 3gr9 n GLU 375 Ca -0.14 0.25 0.04 0.00 0.66 0.00 0.00 57.16 57.96 3gr9 n GLU 375 Cb 0.56 -1.59 0.03 0.00 0.27 0.00 0.00 31.44 30.71 3gr9 n GLU 375 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3gr9 n LEU 376 N 1.80 0.96 -0.35 4.31 4.77 -1.26 -4.86 117.00 122.38 3gr9 n LEU 376 Ca 0.16 -1.97 0.14 0.00 -0.03 0.00 0.00 56.01 54.31 3gr9 n LEU 376 Cb 0.23 -0.03 0.35 0.00 -2.33 0.00 0.00 43.42 41.63 3gr9 n LEU 376 CO 0.59 0.52 1.19 -0.26 -1.33 0.00 0.00 177.39 178.10 3gr9 h PHE 377 N 0.84 1.04 -0.26 -1.77 0.04 -1.95 -0.68 116.94 114.20 3gr9 h PHE 377 Ca -0.18 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 3gr9 h PHE 377 Cb 1.76 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.60 3gr9 h PHE 377 CO 0.20 0.19 -0.04 0.22 -0.60 0.00 0.00 178.31 178.28 3gr9 h ASP 378 N 0.71 0.49 0.75 2.17 3.58 -2.00 -1.13 116.42 120.99 3gr9 h ASP 378 Ca 0.59 -0.35 -0.10 0.00 0.42 0.00 0.00 57.03 57.60 3gr9 h ASP 378 Cb 1.00 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 3gr9 h ASP 378 CO -0.40 0.72 -0.46 -0.33 -2.88 0.00 0.00 179.24 175.90 3gr9 h GLU 379 N 0.24 0.00 -0.46 0.28 5.08 -1.72 -1.82 114.58 116.18 3gr9 h GLU 379 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3gr9 h GLU 379 Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3gr9 h GLU 379 CO 0.02 0.46 -0.08 0.82 -1.00 0.00 0.00 179.01 179.23 3gr9 h ILE 380 N 0.00 1.27 -0.39 3.13 2.04 -1.07 1.07 117.51 123.56 3gr9 h ILE 380 Ca -0.00 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.75 3gr9 h ILE 380 Cb 0.96 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 3gr9 h ILE 380 CO 0.06 0.41 -0.08 0.44 0.00 0.00 0.00 178.15 178.98 3gr9 h ASP 381 N 0.72 -0.33 0.81 1.72 5.19 -0.82 0.18 116.42 123.90 3gr9 h ASP 381 Ca 0.12 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3gr9 h ASP 381 Cb 0.61 0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.36 3gr9 h ASP 381 CO 0.04 -0.11 -0.39 0.22 -3.12 0.00 0.00 179.24 175.87 3gr9 h TYR 382 N 0.02 -1.01 -0.96 4.55 3.20 -0.59 -1.01 116.97 121.16 3gr9 h TYR 382 Ca 0.19 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.24 3gr9 h TYR 382 Cb 0.28 0.34 -0.11 0.00 1.54 0.00 0.00 36.73 38.77 3gr9 h TYR 382 CO -0.33 -0.62 0.54 1.25 -1.64 0.00 0.00 178.16 177.35 3gr9 h LEU 383 N -1.14 0.62 -0.87 2.82 5.85 0.16 1.01 115.31 123.77 3gr9 h LEU 383 Ca -0.11 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.62 3gr9 h LEU 383 Cb 0.85 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3gr9 h LEU 383 CO 0.18 0.15 -0.54 -0.09 -0.34 0.00 0.00 178.44 177.81 3gr9 h ARG 384 N 0.61 0.00 0.42 1.25 9.65 -0.49 -1.21 114.38 124.61 3gr9 h ARG 384 Ca 0.58 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.44 3gr9 h ARG 384 Cb 1.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3gr9 h ARG 384 CO -0.44 0.54 -0.20 0.93 2.80 0.00 0.00 179.97 183.59 3gr9 h GLU 385 N 0.00 -0.55 -0.67 0.20 4.39 0.22 -3.10 114.58 115.08 3gr9 h GLU 385 Ca -0.01 0.04 0.16 0.00 0.34 0.00 0.00 59.36 59.89 3gr9 h GLU 385 Cb 1.00 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 3gr9 h GLU 385 CO 0.07 -0.25 0.46 0.28 -1.16 0.00 0.00 179.01 178.41 3gr9 h VAL 386 N -0.81 0.75 -2.18 3.13 2.07 0.04 -2.93 116.25 116.31 3gr9 h VAL 386 Ca -0.06 -0.07 -0.79 0.00 0.82 0.00 0.00 66.70 66.61 3gr9 h VAL 386 Cb 0.55 0.53 -0.22 0.00 -1.52 0.00 0.00 31.29 30.62 3gr9 h VAL 386 CO 0.10 0.04 1.37 0.18 0.02 0.00 0.00 177.57 179.28 3gr9 n LEU 387 N -4.42 6.71 -0.57 2.57 4.77 -0.48 -4.99 117.00 120.59 3gr9 n LEU 387 Ca 0.13 -5.00 0.14 0.00 -0.03 0.00 0.00 56.01 51.24 3gr9 n LEU 387 Cb 0.60 -1.34 0.45 0.00 -2.33 0.00 0.00 43.42 40.79 3gr9 n LEU 387 CO 0.35 1.64 0.83 0.29 -1.33 0.00 0.00 177.39 179.16