#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gr2 n PRO 5 N 0.00 1.68 0.05 0.00 -0.02 -1.26 -4.80 135.00 130.65 3gr2 n PRO 5 Ca 0.00 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 3gr2 n PRO 5 Cb 0.00 -2.06 0.44 0.00 -0.02 0.00 0.00 33.50 31.86 3gr2 n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3gr2 h GLN 6 N 2.18 0.43 -0.23 -0.52 4.15 -2.05 -1.73 115.11 117.35 3gr2 h GLN 6 Ca -0.43 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 58.98 3gr2 h GLN 6 Cb 1.32 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 3gr2 h GLN 6 CO 0.61 0.32 0.08 0.37 -1.93 0.00 0.00 178.83 178.28 3gr2 h GLN 7 N 0.44 0.18 0.04 1.69 4.15 -1.99 0.76 115.11 120.38 3gr2 h GLN 7 Ca 0.12 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3gr2 h GLN 7 Cb 0.01 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3gr2 h GLN 7 CO -0.02 0.12 -0.02 0.82 -1.93 0.00 0.00 178.83 177.80 3gr2 h ILE 8 N 0.19 1.03 -0.38 2.39 2.04 -1.76 -0.31 117.51 120.70 3gr2 h ILE 8 Ca 0.10 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.83 3gr2 h ILE 8 Cb 0.07 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.23 3gr2 h ILE 8 CO -0.10 0.05 -0.24 -1.13 0.00 0.00 0.00 178.15 176.73 3gr2 h ASN 9 N -0.14 -0.81 0.04 1.72 -1.24 -1.19 -1.41 115.58 112.54 3gr2 h ASN 9 Ca -0.01 0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3gr2 h ASN 9 Cb 0.13 0.41 0.00 0.00 0.73 0.00 0.00 38.32 39.59 3gr2 h ASN 9 CO 0.01 -0.27 -0.02 0.44 -1.29 0.00 0.00 177.43 176.30 3gr2 h ASP 10 N -0.18 -0.04 -0.52 1.15 3.32 -0.66 -1.53 116.42 117.95 3gr2 h ASP 10 Ca 0.18 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.06 3gr2 h ASP 10 Cb 0.47 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3gr2 h ASP 10 CO -0.49 0.17 0.33 -0.29 -1.72 0.00 0.00 179.24 177.24 3gr2 h ILE 11 N -0.26 1.08 0.52 0.35 6.09 -0.93 -0.45 117.51 123.91 3gr2 h ILE 11 Ca -0.01 -0.22 -0.03 0.00 -1.37 0.00 0.00 64.86 63.24 3gr2 h ILE 11 Cb 0.23 0.37 0.01 0.00 0.47 0.00 0.00 36.82 37.90 3gr2 h ILE 11 CO 0.01 0.12 -0.25 0.58 -3.07 0.00 0.00 178.15 175.54 3gr2 h VAL 12 N 0.65 0.47 -0.71 2.19 2.07 -1.22 -2.06 116.25 117.65 3gr2 h VAL 12 Ca 0.20 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3gr2 h VAL 12 Cb -0.02 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3gr2 h VAL 12 CO -0.07 0.03 0.37 0.45 0.02 0.00 0.00 177.57 178.37 3gr2 h HIS 13 N -0.79 1.00 0.00 1.57 3.86 -1.19 0.22 115.15 119.82 3gr2 h HIS 13 Ca -0.07 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 3gr2 h HIS 13 Cb 0.58 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3gr2 h HIS 13 CO -0.02 0.72 -0.18 0.00 0.86 0.00 0.00 177.93 179.31 3gr2 h ARG 14 N 0.99 0.00 0.04 2.45 3.08 -1.10 -2.01 114.38 117.83 3gr2 h ARG 14 Ca 0.25 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 3gr2 h ARG 14 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3gr2 h ARG 14 CO -0.04 0.18 -1.19 1.15 -1.07 0.00 0.00 179.97 179.00 3gr2 h THR 15 N 0.00 1.04 0.07 2.04 2.02 -0.78 -3.41 112.91 113.89 3gr2 h THR 15 Ca -0.00 -2.27 -0.27 0.00 0.77 0.00 0.00 66.41 64.63 3gr2 h THR 15 Cb 0.51 2.54 0.02 0.00 -1.74 0.00 0.00 68.15 69.48 3gr2 h THR 15 CO 0.02 0.51 -1.13 0.40 0.37 0.00 0.00 175.52 175.69 3gr2 h ILE 16 N -0.72 1.35 -0.00 3.11 1.08 -0.57 -3.14 117.51 118.61 3gr2 h ILE 16 Ca -0.30 -2.52 0.03 0.00 -0.39 0.00 0.00 64.86 61.68 3gr2 h ILE 16 Cb 1.45 2.61 -0.04 0.00 -3.07 0.00 0.00 36.82 37.77 3gr2 h ILE 16 CO -0.08 0.76 -0.18 0.74 -0.69 0.00 0.00 178.15 178.69 3gr2 h THR 17 N 0.25 0.56 -0.68 -0.27 2.02 -1.56 0.16 112.91 113.38 3gr2 h THR 17 Ca -0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3gr2 h THR 17 Cb 1.80 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3gr2 h THR 17 CO 0.21 0.00 0.34 -0.65 0.37 0.00 0.00 175.52 175.79 3gr2 h PRO 18 N -0.30 0.96 -0.06 6.66 0.11 -1.79 -1.83 132.00 135.74 3gr2 h PRO 18 Ca 0.06 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.08 3gr2 h PRO 18 Cb 0.37 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 3gr2 h PRO 18 CO -0.18 0.73 -0.12 1.25 -0.21 0.00 0.00 178.00 179.47 3gr2 h LEU 19 N 0.96 -0.37 -0.90 2.35 5.85 -1.34 0.27 115.31 122.13 3gr2 h LEU 19 Ca 0.24 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.04 3gr2 h LEU 19 Cb 0.08 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3gr2 h LEU 19 CO -0.03 -0.17 0.59 0.40 -0.34 0.00 0.00 178.44 178.89 3gr2 h ILE 20 N -0.17 1.20 0.51 4.05 2.04 -0.48 -0.73 117.51 123.93 3gr2 h ILE 20 Ca 0.07 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3gr2 h ILE 20 Cb 0.27 -0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3gr2 h ILE 20 CO -0.17 0.22 -0.25 -0.08 0.00 0.00 0.00 178.15 177.87 3gr2 h GLU 21 N 1.18 -0.67 -0.86 2.37 4.57 -0.99 -1.52 114.58 118.67 3gr2 h GLU 21 Ca 0.34 0.05 0.07 0.00 -1.18 0.00 0.00 59.36 58.64 3gr2 h GLU 21 Cb -0.08 0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 3gr2 h GLU 21 CO -0.09 -0.36 0.53 0.37 -1.18 0.00 0.00 179.01 178.28 3gr2 h GLN 22 N -0.93 0.93 -0.01 1.92 4.15 -0.33 -2.76 115.11 118.07 3gr2 h GLN 22 Ca -0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3gr2 h GLN 22 Cb 0.61 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.09 3gr2 h GLN 22 CO 0.12 0.61 -0.21 1.04 -1.93 0.00 0.00 178.83 178.46 3gr2 n GLN 23 N -4.63 1.24 -3.70 1.69 1.13 -0.29 -4.97 117.38 107.86 3gr2 n GLN 23 Ca 0.13 -0.83 -0.21 0.00 -1.94 0.00 0.00 57.00 54.14 3gr2 n GLN 23 Cb 0.19 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.10 3gr2 n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3gr2 n LYS 24 N -0.15 -4.98 -2.83 -1.09 4.76 -0.63 -4.94 118.16 108.30 3gr2 n LYS 24 Ca 0.13 0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 55.78 3gr2 n LYS 24 Cb 0.39 -5.20 -0.04 0.00 -1.84 0.00 0.00 35.03 28.34 3gr2 n LYS 24 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3gr2 s ILE 25 N -3.65 4.81 0.19 -0.18 1.01 -0.85 -4.96 121.20 117.56 3gr2 s ILE 25 Ca 0.02 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.29 3gr2 s ILE 25 Cb -0.01 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.36 3gr2 s ILE 25 CO 0.81 -0.07 1.65 -0.65 0.00 0.00 0.00 174.94 176.69 3gr2 h PRO 26 N 7.52 1.07 -2.81 2.79 0.11 -1.88 -3.46 132.00 135.34 3gr2 h PRO 26 Ca -0.24 -0.33 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 3gr2 h PRO 26 Cb 1.10 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 31.90 3gr2 h PRO 26 CO 0.89 1.04 -0.20 0.20 -0.21 0.00 0.00 178.00 179.72 3gr2 s GLY 27 N -3.58 -0.25 -0.13 -0.55 0.00 -1.21 -0.11 107.32 101.50 3gr2 s GLY 27 Ca -0.12 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.15 3gr2 s GLY 27 CO 0.86 0.44 0.33 -0.29 0.00 0.00 0.00 173.10 174.44 3gr2 s MET 28 N -0.96 0.39 -0.04 2.90 1.75 -0.74 -2.47 119.30 120.13 3gr2 s MET 28 Ca -0.10 0.47 0.06 0.00 -1.25 0.00 0.00 55.69 54.87 3gr2 s MET 28 Cb -0.04 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.80 3gr2 s MET 28 CO 0.04 -0.05 -0.23 0.00 -0.65 0.00 0.00 175.02 174.14 3gr2 s ALA 29 N 0.21 1.93 -0.02 4.11 0.00 -0.06 -0.80 121.76 127.12 3gr2 s ALA 29 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.05 3gr2 s ALA 29 Cb -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3gr2 s ALA 29 CO 0.00 0.40 -0.14 0.08 0.00 0.00 0.00 175.76 176.11 3gr2 s VAL 30 N -0.25 1.12 -0.09 0.00 1.01 0.85 -0.87 120.40 122.18 3gr2 s VAL 30 Ca 0.01 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3gr2 s VAL 30 Cb -0.12 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3gr2 s VAL 30 CO 0.02 0.32 -0.18 0.00 0.00 0.00 0.00 175.10 175.26 3gr2 s ALA 31 N -0.15 1.71 -0.18 5.51 0.00 -0.39 -0.57 121.76 127.69 3gr2 s ALA 31 Ca 0.02 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.24 3gr2 s ALA 31 Cb -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3gr2 s ALA 31 CO 0.00 0.18 -0.01 0.08 0.00 0.00 0.00 175.76 176.01 3gr2 s VAL 32 N 0.55 4.01 -0.31 0.00 1.01 -0.23 -0.83 120.40 124.60 3gr2 s VAL 32 Ca -0.16 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3gr2 s VAL 32 Cb -0.17 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 3gr2 s VAL 32 CO 0.06 0.45 0.31 -0.63 0.00 0.00 0.00 175.10 175.28 3gr2 s ILE 33 N 0.72 5.22 -0.11 2.22 -1.09 0.81 -0.83 121.20 128.14 3gr2 s ILE 33 Ca -0.00 0.16 -0.01 0.00 -2.23 0.00 0.00 60.65 58.56 3gr2 s ILE 33 Cb -0.14 -3.71 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 3gr2 s ILE 33 CO 0.02 0.06 -0.01 -0.47 -1.23 0.00 0.00 174.94 173.31 3gr2 s TYR 34 N 1.92 0.98 -1.42 3.97 5.04 -0.10 -1.07 117.35 126.67 3gr2 s TYR 34 Ca 0.10 -0.49 -0.09 0.00 -2.44 0.00 0.00 57.07 54.16 3gr2 s TYR 34 Cb -0.16 -0.97 0.05 0.00 0.35 0.00 0.00 41.96 41.23 3gr2 s TYR 34 CO 0.11 -0.44 0.64 1.04 -1.34 0.00 0.00 175.55 175.55 3gr2 n GLN 35 N 5.07 -4.43 0.00 4.97 6.02 -1.09 -2.54 117.38 125.38 3gr2 n GLN 35 Ca -0.09 0.65 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 3gr2 n GLN 35 Cb 0.49 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.29 3gr2 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gr2 n GLY 36 N -1.41 3.15 3.84 1.08 0.00 -1.18 -5.03 105.19 105.64 3gr2 n GLY 36 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3gr2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr2 s LYS 37 N -0.41 3.93 0.08 1.61 1.02 -1.05 -4.99 119.74 119.92 3gr2 s LYS 37 Ca 0.00 0.42 -0.22 0.00 0.02 0.00 0.00 55.97 56.18 3gr2 s LYS 37 Cb 0.00 -3.19 -0.07 0.00 -0.52 0.00 0.00 37.83 34.05 3gr2 s LYS 37 CO 0.00 0.67 0.67 -1.25 -0.92 0.00 0.00 175.35 174.52 3gr2 s PRO 38 N -1.19 4.39 -0.06 -1.68 0.04 -1.26 -0.92 135.00 134.31 3gr2 s PRO 38 Ca 0.26 0.92 0.02 0.00 0.04 0.00 0.00 61.00 62.24 3gr2 s PRO 38 Cb -0.17 -3.29 0.01 0.00 0.04 0.00 0.00 34.50 31.10 3gr2 s PRO 38 CO 0.14 0.51 -0.13 0.71 0.04 0.00 0.00 177.00 178.27 3gr2 s TYR 39 N -0.76 1.49 0.06 0.56 1.51 -0.01 -4.98 117.35 115.22 3gr2 s TYR 39 Ca 0.33 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.90 3gr2 s TYR 39 Cb -0.21 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3gr2 s TYR 39 CO 0.22 -0.27 -0.07 0.71 -1.11 0.00 0.00 175.55 175.02 3gr2 s TYR 40 N 0.61 2.83 -0.08 2.71 2.02 -1.26 -1.06 117.35 123.12 3gr2 s TYR 40 Ca -0.14 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.42 3gr2 s TYR 40 Cb -0.15 -1.52 0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3gr2 s TYR 40 CO 0.04 0.41 0.18 -0.06 -1.57 0.00 0.00 175.55 174.55 3gr2 s PHE 41 N -1.14 -0.22 0.05 2.71 0.40 0.27 -5.00 117.98 115.05 3gr2 s PHE 41 Ca 0.20 0.57 0.04 0.00 -0.60 0.00 0.00 56.93 57.13 3gr2 s PHE 41 Cb -0.11 0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.40 3gr2 s PHE 41 CO 0.12 -0.16 -0.11 0.95 0.70 0.00 0.00 175.22 176.72 3gr2 s THR 42 N 0.83 0.80 0.01 0.64 -4.23 -1.26 -0.11 115.64 112.33 3gr2 s THR 42 Ca -0.06 -1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 3gr2 s THR 42 Cb -0.08 -0.82 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 3gr2 s THR 42 CO -0.05 -0.29 0.02 0.26 -0.54 0.00 0.00 174.62 174.03 3gr2 s TRP 43 N -1.29 0.18 0.00 3.99 0.51 0.02 -5.01 118.94 117.34 3gr2 s TRP 43 Ca -0.06 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.54 3gr2 s TRP 43 Cb -0.10 -0.14 0.00 0.00 -0.81 0.00 0.00 33.47 32.43 3gr2 s TRP 43 CO 0.01 -0.21 0.00 0.41 -0.51 0.00 0.00 176.95 176.65 3gr2 n GLY 44 N 1.63 1.39 3.24 0.98 0.00 -1.26 -1.79 105.19 109.39 3gr2 n GLY 44 Ca -0.23 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 3gr2 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gr2 s TYR 45 N 0.00 2.52 0.09 1.61 1.51 0.85 -1.55 117.35 122.38 3gr2 s TYR 45 Ca 0.00 -0.92 -0.06 0.00 -1.01 0.00 0.00 57.07 55.08 3gr2 s TYR 45 Cb 0.00 -1.67 -0.21 0.00 -0.11 0.00 0.00 41.96 39.97 3gr2 s TYR 45 CO 0.00 -0.34 1.20 0.00 -1.11 0.00 0.00 175.55 175.30 3gr2 h ALA 46 N 6.46 0.18 -3.04 3.71 0.00 -0.69 -3.19 119.26 122.70 3gr2 h ALA 46 Ca -0.24 -0.80 -0.46 0.00 0.00 0.00 0.00 54.91 53.41 3gr2 h ALA 46 Cb 1.22 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.62 3gr2 h ALA 46 CO 0.47 0.85 -0.75 0.34 0.00 0.00 0.00 179.25 180.17 3gr2 s ASP 47 N -7.18 2.39 0.03 0.00 -1.08 -1.03 -1.14 116.67 108.66 3gr2 s ASP 47 Ca -0.06 -0.64 -0.25 0.00 -0.52 0.00 0.00 52.55 51.09 3gr2 s ASP 47 Cb 0.07 -0.25 -0.18 0.00 -1.46 0.00 0.00 42.92 41.11 3gr2 s ASP 47 CO 0.89 -0.35 1.47 0.40 0.52 0.00 0.00 175.17 178.09 3gr2 h ILE 48 N 6.42 1.23 -0.75 4.11 2.04 -1.85 -0.68 117.51 128.03 3gr2 h ILE 48 Ca -0.15 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.10 3gr2 h ILE 48 Cb 1.14 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 3gr2 h ILE 48 CO 0.30 0.17 0.45 0.00 0.00 0.00 0.00 178.15 179.07 3gr2 h ALA 49 N 0.72 1.02 -0.38 1.87 0.00 -1.98 -2.12 119.26 118.39 3gr2 h ALA 49 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gr2 h ALA 49 Cb 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gr2 h ALA 49 CO 0.00 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.05 3gr2 n LYS 50 N -4.70 2.23 -3.85 0.00 5.02 -1.22 -4.96 118.16 110.68 3gr2 n LYS 50 Ca 0.10 -1.88 -0.25 0.00 -2.02 0.00 0.00 58.31 54.26 3gr2 n LYS 50 Cb 0.16 -1.46 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 3gr2 n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gr2 n LYS 51 N 1.07 -4.29 -3.47 1.97 5.02 -0.44 -4.96 118.16 113.05 3gr2 n LYS 51 Ca 0.18 0.52 -0.38 0.00 -2.02 0.00 0.00 58.31 56.61 3gr2 n LYS 51 Cb 0.49 -4.97 -0.09 0.00 -0.02 0.00 0.00 35.03 30.44 3gr2 n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3gr2 s GLN 52 N -6.33 4.04 0.61 1.97 -1.52 -0.39 -5.00 119.66 113.04 3gr2 s GLN 52 Ca 0.13 -0.05 -0.15 0.00 -1.95 0.00 0.00 55.36 53.34 3gr2 s GLN 52 Cb -0.07 -3.62 -0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3gr2 s GLN 52 CO 0.85 -0.16 1.05 -1.25 -0.25 0.00 0.00 175.29 175.52 3gr2 s PRO 53 N 1.72 3.31 0.12 2.91 0.04 -1.26 -0.11 135.00 141.73 3gr2 s PRO 53 Ca 0.13 1.10 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 3gr2 s PRO 53 Cb -0.15 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3gr2 s PRO 53 CO 0.09 -0.81 1.32 0.08 0.04 0.00 0.00 177.00 177.72 3gr2 s VAL 54 N -2.63 3.46 0.43 -0.36 1.01 -0.60 -4.20 120.40 117.50 3gr2 s VAL 54 Ca 0.61 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.70 3gr2 s VAL 54 Cb -0.15 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3gr2 s VAL 54 CO 0.41 0.10 0.08 0.35 0.00 0.00 0.00 175.10 176.05 3gr2 n THR 55 N 3.63 0.00 0.73 3.92 -2.24 -1.26 -4.67 114.28 114.38 3gr2 n THR 55 Ca 0.10 -2.27 0.08 0.00 -2.27 0.00 0.00 64.05 59.69 3gr2 n THR 55 Cb 0.43 0.67 0.40 0.00 -2.10 0.00 0.00 70.33 69.74 3gr2 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gr2 n GLN 56 N -1.00 0.18 0.00 -0.78 6.02 -1.26 -2.55 117.38 117.98 3gr2 n GLN 56 Ca -0.11 0.15 0.08 0.00 -0.01 0.00 0.00 57.00 57.11 3gr2 n GLN 56 Cb 0.59 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.38 3gr2 n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3gr2 n GLN 57 N -1.34 1.57 -2.12 -1.09 3.00 -1.26 -3.89 117.38 112.25 3gr2 n GLN 57 Ca 0.07 -1.02 -0.42 0.00 -0.01 0.00 0.00 57.00 55.62 3gr2 n GLN 57 Cb 0.15 -1.28 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 3gr2 n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3gr2 s THR 58 N -1.69 3.05 -0.05 5.09 2.01 -1.06 -4.84 115.64 118.15 3gr2 s THR 58 Ca 0.15 0.82 -0.21 0.00 0.31 0.00 0.00 61.69 62.76 3gr2 s THR 58 Cb 0.13 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3gr2 s THR 58 CO 0.33 0.10 0.61 -0.76 -0.69 0.00 0.00 174.62 174.21 3gr2 s LEU 59 N 0.37 4.35 0.09 4.42 1.43 0.79 -4.09 118.68 126.03 3gr2 s LEU 59 Ca 0.61 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.90 3gr2 s LEU 59 Cb -0.39 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3gr2 s LEU 59 CO 0.36 -0.00 -0.22 -0.36 0.23 0.00 0.00 176.35 176.35 3gr2 s PHE 60 N 0.38 2.44 -0.11 0.29 0.40 -0.06 -1.61 117.98 119.71 3gr2 s PHE 60 Ca 0.32 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 3gr2 s PHE 60 Cb -0.17 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 3gr2 s PHE 60 CO 0.16 0.29 1.30 -1.21 0.70 0.00 0.00 175.22 176.46 3gr2 s GLU 61 N -1.76 4.26 0.45 0.44 2.02 -1.26 -1.63 118.70 121.21 3gr2 s GLU 61 Ca 0.15 1.75 0.25 0.00 0.02 0.00 0.00 54.97 57.14 3gr2 s GLU 61 Cb -0.10 -3.73 0.58 0.00 0.10 0.00 0.00 34.13 30.99 3gr2 s GLU 61 CO 0.06 -0.65 1.70 -0.07 0.02 0.00 0.00 175.26 176.31 3gr2 h LEU 62 N 9.33 0.00 0.00 1.80 3.38 -1.48 -3.43 115.31 124.90 3gr2 h LEU 62 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3gr2 h LEU 62 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gr2 h LEU 62 CO 0.94 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.08 3gr2 n GLY 63 N 0.88 3.35 0.03 0.83 0.00 -1.25 -2.37 105.19 106.66 3gr2 n GLY 63 Ca 0.03 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.05 3gr2 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gr2 n SER 64 N 3.95 0.14 0.31 1.61 7.64 -1.26 -1.46 113.62 124.56 3gr2 n SER 64 Ca 0.00 0.54 0.18 0.00 1.01 0.00 0.00 58.87 60.60 3gr2 n SER 64 Cb 0.00 -0.57 1.02 0.00 -1.01 0.00 0.00 64.21 63.65 3gr2 n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gr2 h VAL 65 N 0.00 0.28 -0.69 0.44 2.07 -1.54 -0.95 116.25 115.86 3gr2 h VAL 65 Ca 0.00 -0.09 0.18 0.00 0.82 0.00 0.00 66.70 67.61 3gr2 h VAL 65 Cb 0.25 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3gr2 h VAL 65 CO 0.00 0.01 0.48 0.28 0.02 0.00 0.00 177.57 178.37 3gr2 h SER 66 N 0.00 0.12 -0.06 0.57 0.02 -1.45 -1.72 113.55 111.02 3gr2 h SER 66 Ca -0.00 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3gr2 h SER 66 Cb 0.07 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3gr2 h SER 66 CO 0.00 0.06 0.06 0.11 -1.14 0.00 0.00 176.83 175.91 3gr2 h LYS 67 N 0.12 0.00 -0.33 3.45 1.57 -1.31 -0.68 116.57 119.39 3gr2 h LYS 67 Ca 0.33 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.01 3gr2 h LYS 67 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3gr2 h LYS 67 CO -0.04 0.00 -0.22 1.79 -0.57 0.00 0.00 179.45 180.41 3gr2 h THR 68 N 0.00 1.27 -0.21 -0.16 1.35 -1.49 0.11 112.91 113.77 3gr2 h THR 68 Ca 0.03 -1.28 -0.07 0.00 -0.55 0.00 0.00 66.41 64.53 3gr2 h THR 68 Cb 0.14 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3gr2 h THR 68 CO -0.00 0.42 -0.14 -0.26 -0.25 0.00 0.00 175.52 175.29 3gr2 h PHE 69 N 0.56 0.55 -0.59 4.73 0.04 -1.28 -2.02 116.94 118.93 3gr2 h PHE 69 Ca 0.08 -0.15 0.03 0.00 2.80 0.00 0.00 57.97 60.73 3gr2 h PHE 69 Cb 0.69 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 3gr2 h PHE 69 CO 0.03 0.78 0.36 1.15 -0.60 0.00 0.00 178.31 180.03 3gr2 h THR 70 N 0.17 1.07 -0.60 -1.55 2.02 -1.22 0.12 112.91 112.91 3gr2 h THR 70 Ca 0.04 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 66.99 3gr2 h THR 70 Cb 0.65 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3gr2 h THR 70 CO 0.04 0.13 0.40 1.23 0.37 0.00 0.00 175.52 177.69 3gr2 h GLY 71 N 0.71 0.85 1.11 2.16 0.00 -0.75 -0.62 103.07 106.53 3gr2 h GLY 71 Ca 0.24 -0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3gr2 h GLY 71 CO -0.10 0.31 -0.41 -2.08 0.00 0.00 0.00 176.54 174.26 3gr2 h VAL 72 N 0.81 1.28 -0.87 4.60 2.07 -1.02 -0.85 116.25 122.28 3gr2 h VAL 72 Ca 0.22 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 3gr2 h VAL 72 Cb -0.09 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3gr2 h VAL 72 CO -0.05 0.52 0.52 0.25 0.02 0.00 0.00 177.57 178.83 3gr2 h LEU 73 N 0.69 1.05 -0.48 2.57 5.85 -0.62 0.51 115.31 124.88 3gr2 h LEU 73 Ca 0.05 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3gr2 h LEU 73 Cb 1.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3gr2 h LEU 73 CO 0.10 0.81 0.23 1.23 -0.34 0.00 0.00 178.44 180.46 3gr2 h GLY 74 N 1.19 0.74 1.01 3.75 0.00 -0.98 -1.85 103.07 106.94 3gr2 h GLY 74 Ca 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3gr2 h GLY 74 CO -0.06 0.35 0.57 -1.33 0.00 0.00 0.00 176.54 176.07 3gr2 h GLY 75 N 0.63 1.27 1.01 4.60 0.00 -0.71 -1.42 103.07 108.45 3gr2 h GLY 75 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3gr2 h GLY 75 CO -0.02 0.49 0.53 -1.80 0.00 0.00 0.00 176.54 175.74 3gr2 h ASP 76 N 1.22 1.01 -0.41 0.19 3.58 -0.68 -1.02 116.42 120.30 3gr2 h ASP 76 Ca 0.32 -0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 3gr2 h ASP 76 Cb -0.10 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.67 3gr2 h ASP 76 CO -0.07 0.76 -0.00 0.00 -2.88 0.00 0.00 179.24 177.05 3gr2 h ALA 77 N 1.29 1.09 0.19 -0.78 0.00 -0.80 0.40 119.26 120.66 3gr2 h ALA 77 Ca 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gr2 h ALA 77 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3gr2 h ALA 77 CO -0.06 0.58 -0.09 0.82 0.00 0.00 0.00 179.25 180.49 3gr2 h ILE 78 N 0.75 0.82 -0.59 0.00 2.04 -0.89 -0.98 117.51 118.65 3gr2 h ILE 78 Ca 0.15 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3gr2 h ILE 78 Cb 0.46 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3gr2 h ILE 78 CO 0.02 0.01 0.39 0.00 0.00 0.00 0.00 178.15 178.58 3gr2 h ALA 79 N 0.52 1.71 0.00 1.87 0.00 -0.86 0.80 119.26 123.30 3gr2 h ALA 79 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gr2 h ALA 79 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gr2 h ALA 79 CO 0.04 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.05 3gr2 n ARG 80 N -4.47 0.06 -1.11 0.00 1.74 0.10 -4.88 116.66 108.11 3gr2 n ARG 80 Ca 0.07 0.19 -0.04 0.00 -0.77 0.00 0.00 57.85 57.31 3gr2 n ARG 80 Cb 0.16 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 3gr2 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gr2 n GLY 81 N 0.20 0.67 0.09 -0.13 0.00 0.27 -4.93 105.19 101.37 3gr2 n GLY 81 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 3gr2 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gr2 h GLU 82 N 0.23 0.19 -4.32 1.61 5.08 -1.37 -3.47 114.58 112.53 3gr2 h GLU 82 Ca -0.08 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 3gr2 h GLU 82 Cb 0.34 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 29.56 3gr2 h GLU 82 CO 0.12 1.12 -0.66 0.96 -1.00 0.00 0.00 179.01 179.55 3gr2 s ILE 83 N -2.66 0.17 0.02 3.13 -4.36 -1.19 -4.84 121.20 111.47 3gr2 s ILE 83 Ca -0.04 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 58.54 3gr2 s ILE 83 Cb 0.08 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 3gr2 s ILE 83 CO 0.86 -0.75 -0.14 -0.54 0.24 0.00 0.00 174.94 174.61 3gr2 s LYS 84 N -3.98 1.00 0.57 0.37 1.02 -1.26 -4.18 119.74 113.28 3gr2 s LYS 84 Ca 0.15 -0.63 0.35 0.00 0.02 0.00 0.00 55.97 55.86 3gr2 s LYS 84 Cb 0.08 -0.99 1.63 0.00 -0.52 0.00 0.00 37.83 38.03 3gr2 s LYS 84 CO -0.05 0.26 2.09 -0.07 -0.92 0.00 0.00 175.35 176.66 3gr2 h LEU 85 N 5.33 0.00 -0.01 3.17 3.38 -1.98 -1.51 115.31 123.70 3gr2 h LEU 85 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3gr2 h LEU 85 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3gr2 h LEU 85 CO 0.46 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.48 3gr2 n SER 86 N -3.17 0.24 -4.76 -0.43 3.41 -1.26 -1.21 113.62 106.45 3gr2 n SER 86 Ca -0.01 0.52 -0.41 0.00 -0.26 0.00 0.00 58.87 58.71 3gr2 n SER 86 Cb 0.25 -0.59 -0.01 0.00 -0.26 0.00 0.00 64.21 63.59 3gr2 n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gr2 s ASP 87 N -3.46 6.41 0.50 4.04 1.01 -0.57 -4.81 116.67 119.79 3gr2 s ASP 87 Ca 0.13 2.93 -0.23 0.00 0.71 0.00 0.00 52.55 56.09 3gr2 s ASP 87 Cb 0.17 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 3gr2 s ASP 87 CO 0.54 -0.86 1.32 -2.84 0.21 0.00 0.00 175.17 173.54 3gr2 s PRO 88 N -0.92 3.43 0.36 8.23 0.02 -1.26 -1.28 135.00 143.58 3gr2 s PRO 88 Ca 0.60 2.16 0.11 0.00 0.02 0.00 0.00 61.00 63.88 3gr2 s PRO 88 Cb -0.46 -2.40 0.89 0.00 0.02 0.00 0.00 34.50 32.54 3gr2 s PRO 88 CO 0.51 -0.93 1.82 1.15 -0.33 0.00 0.00 177.00 179.22 3gr2 h THR 89 N 1.76 0.71 0.00 0.99 2.02 -1.32 -1.90 112.91 115.17 3gr2 h THR 89 Ca -0.50 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3gr2 h THR 89 Cb 1.28 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3gr2 h THR 89 CO 0.59 0.11 0.00 0.71 0.37 0.00 0.00 175.52 177.30 3gr2 h THR 90 N 0.62 0.00 -0.29 3.16 1.35 -1.82 -2.31 112.91 113.62 3gr2 h THR 90 Ca 0.52 -0.32 -0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3gr2 h THR 90 Cb 0.99 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 3gr2 h THR 90 CO -0.27 0.00 0.18 0.50 -0.25 0.00 0.00 175.52 175.67 3gr2 h LYS 91 N 0.00 0.39 -0.00 4.72 3.64 -1.72 -2.11 116.57 121.50 3gr2 h LYS 91 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3gr2 h LYS 91 Cb 0.34 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3gr2 h LYS 91 CO 0.00 0.28 -0.57 0.66 -2.27 0.00 0.00 179.45 177.55 3gr2 n TYR 92 N -4.47 0.00 -3.29 1.91 4.02 -0.90 -4.65 117.16 109.78 3gr2 n TYR 92 Ca 0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.66 3gr2 n TYR 92 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.32 3gr2 n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3gr2 n TRP 93 N -1.19 -0.90 0.50 -0.72 -0.00 -0.99 -4.99 117.44 109.14 3gr2 n TRP 93 Ca 0.03 -3.29 0.07 0.00 -0.00 0.00 0.00 57.50 54.31 3gr2 n TRP 93 Cb 0.21 0.13 0.32 0.00 -0.00 0.00 0.00 31.31 31.96 3gr2 n TRP 93 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gr2 n PRO 94 N 2.33 0.01 0.00 5.87 -0.04 -0.80 -1.53 135.00 140.83 3gr2 n PRO 94 Ca 0.26 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 3gr2 n PRO 94 Cb 0.50 -1.52 0.52 0.00 -0.04 0.00 0.00 33.50 32.97 3gr2 n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gr2 n GLU 95 N -1.53 0.13 -2.31 0.54 4.71 -1.26 -4.21 120.64 116.71 3gr2 n GLU 95 Ca 0.03 0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 56.85 3gr2 n GLU 95 Cb 0.17 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3gr2 n GLU 95 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gr2 n LEU 96 N -1.41 6.02 0.05 -4.62 4.77 -0.59 -4.75 117.00 116.47 3gr2 n LEU 96 Ca 0.08 -4.26 0.12 0.00 -0.03 0.00 0.00 56.01 51.92 3gr2 n LEU 96 Cb 0.23 -1.63 0.06 0.00 -2.33 0.00 0.00 43.42 39.75 3gr2 n LEU 96 CO 0.20 0.85 0.10 0.35 -1.33 0.00 0.00 177.39 177.55 3gr2 n THR 97 N 4.95 0.31 -1.69 -5.08 -2.24 -1.26 -4.84 114.28 104.42 3gr2 n THR 97 Ca 0.46 -0.32 -0.44 0.00 -2.27 0.00 0.00 64.05 61.48 3gr2 n THR 97 Cb 0.41 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3gr2 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gr2 n ALA 98 N -1.91 1.44 -0.37 6.98 0.00 -1.26 -4.88 120.51 120.51 3gr2 n ALA 98 Ca 0.02 0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.88 3gr2 n ALA 98 Cb 0.46 -2.30 0.19 0.00 0.00 0.00 0.00 19.45 17.80 3gr2 n ALA 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gr2 h LYS 99 N 3.85 1.12 0.00 0.00 2.10 -1.93 -2.35 116.57 119.36 3gr2 h LYS 99 Ca -0.46 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 3gr2 h LYS 99 Cb 1.27 -0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.35 3gr2 h LYS 99 CO 0.73 0.74 0.42 -0.56 -2.00 0.00 0.00 179.45 178.78 3gr2 h GLN 100 N 1.15 0.00 0.00 0.07 -0.00 -1.94 0.27 115.11 114.66 3gr2 h GLN 100 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 3gr2 h GLN 100 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.69 3gr2 h GLN 100 CO -0.18 0.00 -0.03 0.91 -0.00 0.00 0.00 178.83 179.53 3gr2 n TRP 101 N -2.63 0.89 -1.67 0.06 7.02 -0.88 -4.70 117.44 115.53 3gr2 n TRP 101 Ca -0.01 0.26 -0.42 0.00 -1.02 0.00 0.00 57.50 56.30 3gr2 n TRP 101 Cb 0.45 -0.92 -0.03 0.00 -2.42 0.00 0.00 31.31 28.40 3gr2 n TRP 101 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3gr2 s ASN 102 N -4.47 6.44 0.00 -0.99 2.47 0.94 -1.80 114.94 117.53 3gr2 s ASN 102 Ca 0.11 2.69 0.00 0.00 0.42 0.00 0.00 52.86 56.07 3gr2 s ASN 102 Cb 0.13 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 3gr2 s ASN 102 CO 0.60 -1.06 0.00 0.61 -3.72 0.00 0.00 177.10 173.53 3gr2 n GLY 103 N 4.54 0.97 3.57 1.21 0.00 -1.26 -5.01 105.19 109.21 3gr2 n GLY 103 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3gr2 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gr2 s ILE 104 N -2.69 4.77 0.46 -0.61 1.01 -0.75 -4.88 121.20 118.50 3gr2 s ILE 104 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 60.65 61.40 3gr2 s ILE 104 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3gr2 s ILE 104 CO 0.00 -0.47 0.58 0.42 0.00 0.00 0.00 174.94 175.47 3gr2 s THR 105 N 3.01 2.71 0.43 2.92 -4.23 -1.26 -0.98 115.64 118.25 3gr2 s THR 105 Ca 0.29 -1.08 0.10 0.00 -1.18 0.00 0.00 61.69 59.82 3gr2 s THR 105 Cb -0.13 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.17 3gr2 s THR 105 CO 0.18 0.00 2.06 -0.07 -0.54 0.00 0.00 174.62 176.25 3gr2 h LEU 106 N 0.61 0.31 -0.15 4.79 3.38 -1.16 -2.27 115.31 120.83 3gr2 h LEU 106 Ca -0.38 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.60 3gr2 h LEU 106 Cb 1.28 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3gr2 h LEU 106 CO 0.47 0.26 0.01 0.25 0.09 0.00 0.00 178.44 179.52 3gr2 h LEU 107 N 0.36 -0.03 -0.71 1.67 5.85 -1.44 -0.71 115.31 120.30 3gr2 h LEU 107 Ca 0.09 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3gr2 h LEU 107 Cb 0.02 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 3gr2 h LEU 107 CO -0.02 0.01 0.42 0.45 -0.34 0.00 0.00 178.44 178.96 3gr2 h HIS 108 N 0.07 0.77 -0.16 1.25 3.86 -1.70 -1.56 115.15 117.68 3gr2 h HIS 108 Ca 0.07 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3gr2 h HIS 108 Cb 0.08 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3gr2 h HIS 108 CO -0.14 0.38 0.07 -0.07 0.86 0.00 0.00 177.93 179.03 3gr2 h LEU 109 N 0.77 0.21 -1.79 2.43 3.38 -1.22 -0.61 115.31 118.48 3gr2 h LEU 109 Ca 0.31 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3gr2 h LEU 109 Cb 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3gr2 h LEU 109 CO -0.17 0.29 -0.15 0.00 0.09 0.00 0.00 178.44 178.50 3gr2 h ALA 110 N 0.93 1.59 -0.21 1.53 0.00 -0.71 -2.74 119.26 119.64 3gr2 h ALA 110 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gr2 h ALA 110 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gr2 h ALA 110 CO -0.01 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3gr2 n THR 111 N -4.12 1.36 -1.83 0.00 -2.24 -0.62 -4.50 114.28 102.33 3gr2 n THR 111 Ca -0.02 -1.31 -0.14 0.00 -2.27 0.00 0.00 64.05 60.30 3gr2 n THR 111 Cb 0.23 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3gr2 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gr2 n TYR 112 N -0.13 -0.33 -1.05 4.78 4.01 -0.90 -4.84 117.16 118.70 3gr2 n TYR 112 Ca 0.11 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.93 3gr2 n TYR 112 Cb 0.51 -2.77 0.23 0.00 -0.31 0.00 0.00 39.34 37.00 3gr2 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gr2 n THR 113 N -3.29 2.23 0.37 -0.72 -2.24 -0.29 -1.56 114.28 108.79 3gr2 n THR 113 Ca -0.16 -2.03 0.13 0.00 -2.27 0.00 0.00 64.05 59.73 3gr2 n THR 113 Cb 0.55 -0.26 0.55 0.00 -2.10 0.00 0.00 70.33 69.06 3gr2 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gr2 h ALA 114 N 1.38 1.00 0.00 6.98 0.00 -1.79 0.57 119.26 127.40 3gr2 h ALA 114 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gr2 h ALA 114 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3gr2 h ALA 114 CO 0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3gr2 n GLY 115 N 0.00 1.69 0.37 0.00 0.00 -1.26 -4.21 105.19 101.78 3gr2 n GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gr2 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gr2 n GLY 116 N -0.13 1.21 3.74 -0.02 0.00 -1.26 -1.35 105.19 107.38 3gr2 n GLY 116 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3gr2 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gr2 n LEU 117 N -0.07 4.22 -4.76 0.99 4.77 -1.26 -4.76 117.00 116.12 3gr2 n LEU 117 Ca 0.00 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.84 3gr2 n LEU 117 Cb 0.11 -1.56 0.05 0.00 -2.33 0.00 0.00 43.42 39.69 3gr2 n LEU 117 CO 0.00 -0.06 0.75 -2.84 -1.33 0.00 0.00 177.39 173.91 3gr2 s PRO 118 N -1.49 2.74 0.21 3.23 0.02 -1.26 -4.73 135.00 133.72 3gr2 s PRO 118 Ca 0.58 1.44 -0.09 0.00 0.02 0.00 0.00 61.00 62.95 3gr2 s PRO 118 Cb -0.52 -1.94 0.30 0.00 0.02 0.00 0.00 34.50 32.36 3gr2 s PRO 118 CO 0.58 -1.30 1.74 1.25 -0.33 0.00 0.00 177.00 178.94 3gr2 h LEU 119 N 0.04 0.21 -8.68 -5.54 5.85 -1.92 -3.26 115.31 102.01 3gr2 h LEU 119 Ca -0.47 0.08 -0.68 0.00 0.84 0.00 0.00 57.88 57.65 3gr2 h LEU 119 Cb 1.25 0.07 -0.27 0.00 0.37 0.00 0.00 40.66 42.08 3gr2 h LEU 119 CO 0.54 0.12 -0.88 -1.10 -0.34 0.00 0.00 178.44 176.78 3gr2 s GLN 120 N -6.09 1.84 0.12 1.25 1.11 -1.26 -0.14 119.66 116.49 3gr2 s GLN 120 Ca -0.13 -1.04 -0.31 0.00 0.01 0.00 0.00 55.36 53.90 3gr2 s GLN 120 Cb 0.17 -1.94 -0.07 0.00 -1.01 0.00 0.00 33.01 30.16 3gr2 s GLN 120 CO 0.75 0.51 1.25 0.08 0.01 0.00 0.00 175.29 177.89 3gr2 s VAL 121 N -0.74 3.68 0.43 1.09 1.01 -1.26 -4.83 120.40 119.78 3gr2 s VAL 121 Ca 0.11 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.10 3gr2 s VAL 121 Cb -0.10 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3gr2 s VAL 121 CO 0.01 0.13 1.33 -2.65 0.00 0.00 0.00 175.10 173.92 3gr2 n PRO 122 N 3.45 2.04 0.29 2.72 -0.02 -1.26 -4.87 135.00 137.36 3gr2 n PRO 122 Ca 0.08 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.45 3gr2 n PRO 122 Cb 0.45 -2.47 0.91 0.00 -0.02 0.00 0.00 33.50 32.37 3gr2 n PRO 122 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3gr2 h ASP 123 N 2.16 0.00 0.31 2.55 3.58 -2.01 -1.26 116.42 121.75 3gr2 h ASP 123 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 3gr2 h ASP 123 Cb 1.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.33 3gr2 h ASP 123 CO 0.60 0.04 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.61 3gr2 h GLU 124 N 0.00 0.00 -6.32 0.28 3.07 -2.03 -3.39 114.58 106.18 3gr2 h GLU 124 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 3gr2 h GLU 124 Cb 0.16 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.01 3gr2 h GLU 124 CO 0.01 0.07 1.13 0.08 -1.40 0.00 0.00 179.01 178.89 3gr2 s VAL 125 N -4.21 3.69 -0.08 3.13 1.01 -0.48 -4.79 120.40 118.68 3gr2 s VAL 125 Ca -0.03 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.49 3gr2 s VAL 125 Cb 0.13 -4.53 -0.08 0.00 0.00 0.00 0.00 36.38 31.90 3gr2 s VAL 125 CO 0.55 -1.37 -0.02 0.29 0.00 0.00 0.00 175.10 174.54 3gr2 n LYS 126 N 9.00 1.64 -3.46 2.72 4.76 -1.26 -4.39 118.16 127.17 3gr2 n LYS 126 Ca 0.10 0.02 -0.21 0.00 -2.87 0.00 0.00 58.31 55.36 3gr2 n LYS 126 Cb 0.50 -1.18 -0.01 0.00 -1.84 0.00 0.00 35.03 32.49 3gr2 n LYS 126 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3gr2 s SER 127 N -4.35 5.11 0.45 4.39 1.04 -1.26 -4.98 113.70 114.11 3gr2 s SER 127 Ca -0.08 -0.75 0.25 0.00 0.48 0.00 0.00 55.95 55.85 3gr2 s SER 127 Cb 0.03 -0.40 0.57 0.00 0.10 0.00 0.00 66.02 66.32 3gr2 s SER 127 CO 0.26 -0.78 1.69 0.77 0.98 0.00 0.00 173.24 176.16 3gr2 h SER 128 N 0.86 0.00 0.58 7.02 4.64 -1.99 -2.15 113.55 122.50 3gr2 h SER 128 Ca -0.40 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.73 3gr2 h SER 128 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3gr2 h SER 128 CO 0.54 0.00 -0.86 0.77 -0.87 0.00 0.00 176.83 176.41 3gr2 h SER 129 N 0.00 0.25 -0.94 4.97 4.64 -1.99 -2.22 113.55 118.25 3gr2 h SER 129 Ca 0.00 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3gr2 h SER 129 Cb 0.89 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.85 3gr2 h SER 129 CO 0.00 0.99 0.62 0.44 -0.87 0.00 0.00 176.83 178.01 3gr2 h ASP 130 N 0.11 1.07 -0.20 4.97 3.32 -1.90 -2.03 116.42 121.76 3gr2 h ASP 130 Ca -0.04 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 3gr2 h ASP 130 Cb 1.48 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3gr2 h ASP 130 CO 0.13 0.76 -0.22 0.25 -1.72 0.00 0.00 179.24 178.44 3gr2 h LEU 131 N 1.25 0.54 -0.30 1.55 5.85 -1.30 -1.49 115.31 121.41 3gr2 h LEU 131 Ca 0.35 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3gr2 h LEU 131 Cb -0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3gr2 h LEU 131 CO -0.09 0.92 0.11 0.25 -0.34 0.00 0.00 178.44 179.30 3gr2 h LEU 132 N 0.17 0.14 -0.43 2.25 5.85 -1.36 -2.29 115.31 119.64 3gr2 h LEU 132 Ca 0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3gr2 h LEU 132 Cb 0.78 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3gr2 h LEU 132 CO 0.05 0.11 0.10 -0.09 -0.34 0.00 0.00 178.44 178.28 3gr2 h ARG 133 N 0.25 0.23 -0.12 1.25 2.43 -1.31 -0.23 114.38 116.89 3gr2 h ARG 133 Ca 0.13 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3gr2 h ARG 133 Cb 0.09 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 3gr2 h ARG 133 CO -0.12 0.16 -0.21 0.35 -1.51 0.00 0.00 179.97 178.63 3gr2 h PHE 134 N 0.24 -0.56 -0.08 2.20 3.57 -0.91 -0.16 116.94 121.25 3gr2 h PHE 134 Ca 0.21 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 3gr2 h PHE 134 Cb 0.24 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3gr2 h PHE 134 CO -0.19 -0.29 -0.64 1.88 -2.23 0.00 0.00 178.31 176.84 3gr2 h TYR 135 N -0.28 0.38 -0.72 0.41 0.05 -1.22 -2.05 116.97 113.54 3gr2 h TYR 135 Ca 0.10 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.66 3gr2 h TYR 135 Cb 0.42 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 3gr2 h TYR 135 CO -0.31 0.85 0.21 1.96 -1.05 0.00 0.00 178.16 179.81 3gr2 h GLN 136 N 0.21 1.12 0.00 4.88 1.08 -0.79 -3.20 115.11 118.41 3gr2 h GLN 136 Ca -0.01 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 3gr2 h GLN 136 Cb 1.17 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 3gr2 h GLN 136 CO 0.10 0.96 -0.53 0.09 -0.95 0.00 0.00 178.83 178.51 3gr2 n ASN 137 N -4.25 0.62 -4.72 1.46 5.03 -0.09 -4.83 115.26 108.48 3gr2 n ASN 137 Ca 0.06 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.18 3gr2 n ASN 137 Cb 0.24 0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 39.06 3gr2 n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3gr2 s TRP 138 N -3.12 3.00 -0.28 3.10 -0.00 -0.78 -5.00 118.94 115.87 3gr2 s TRP 138 Ca 0.08 0.55 -0.06 0.00 -0.00 0.00 0.00 56.10 56.67 3gr2 s TRP 138 Cb 0.15 -3.97 0.00 0.00 -0.00 0.00 0.00 33.47 29.65 3gr2 s TRP 138 CO 0.70 -3.63 0.05 -0.65 -0.00 0.00 0.00 176.95 173.42 3gr2 s GLN 139 N 1.21 3.16 0.36 5.86 -1.52 -1.26 -4.99 119.66 122.48 3gr2 s GLN 139 Ca 0.71 -0.80 -0.28 0.00 -1.95 0.00 0.00 55.36 53.04 3gr2 s GLN 139 Cb -0.45 -3.29 -0.11 0.00 -0.22 0.00 0.00 33.01 28.94 3gr2 s GLN 139 CO 0.31 -0.39 1.42 -1.25 -0.25 0.00 0.00 175.29 175.14 3gr2 s PRO 140 N 1.49 4.20 0.18 2.91 0.04 -1.26 -4.93 135.00 137.63 3gr2 s PRO 140 Ca 0.03 2.44 0.12 0.00 0.04 0.00 0.00 61.00 63.63 3gr2 s PRO 140 Cb -0.17 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.28 3gr2 s PRO 140 CO 0.01 -0.41 1.28 0.00 0.04 0.00 0.00 177.00 177.93 3gr2 h ALA 141 N 3.19 0.54 -2.45 8.56 0.00 -1.51 -3.48 119.26 124.10 3gr2 h ALA 141 Ca -0.50 -0.74 -0.24 0.00 0.00 0.00 0.00 54.91 53.43 3gr2 h ALA 141 Cb 1.23 -0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 3gr2 h ALA 141 CO 0.65 0.97 -0.71 -1.58 0.00 0.00 0.00 179.25 178.58 3gr2 s TRP 142 N -2.83 0.86 0.70 0.00 0.51 -1.16 -5.07 118.94 111.95 3gr2 s TRP 142 Ca 0.02 -0.81 -0.16 0.00 -2.12 0.00 0.00 56.10 53.02 3gr2 s TRP 142 Cb 0.09 -0.50 0.02 0.00 -0.81 0.00 0.00 33.47 32.27 3gr2 s TRP 142 CO 0.79 -0.12 1.24 0.00 -0.51 0.00 0.00 176.95 178.34 3gr2 s ALA 143 N -3.09 2.22 0.45 0.98 0.00 -1.26 -4.41 121.76 116.65 3gr2 s ALA 143 Ca 0.07 1.01 -0.24 0.00 0.00 0.00 0.00 51.96 52.80 3gr2 s ALA 143 Cb 0.02 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3gr2 s ALA 143 CO -0.03 -1.76 1.26 -2.30 0.00 0.00 0.00 175.76 172.93 3gr2 n PRO 144 N -2.38 1.82 -2.30 0.00 -0.02 -1.26 -3.40 135.00 127.46 3gr2 n PRO 144 Ca 0.14 0.65 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 3gr2 n PRO 144 Cb 0.49 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3gr2 n PRO 144 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gr2 n GLY 145 N 0.84 -0.17 0.01 -1.23 0.00 0.19 -4.90 105.19 99.93 3gr2 n GLY 145 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 3gr2 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gr2 n THR 146 N -4.02 0.14 -4.12 2.61 -2.24 -1.22 -4.84 114.28 100.59 3gr2 n THR 146 Ca -0.15 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3gr2 n THR 146 Cb 0.62 -0.75 -0.12 0.00 -2.10 0.00 0.00 70.33 67.98 3gr2 n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gr2 s GLN 147 N -2.05 0.53 -0.22 -0.78 -0.21 -1.26 -1.55 119.66 114.12 3gr2 s GLN 147 Ca -0.02 -0.59 -0.10 0.00 0.02 0.00 0.00 55.36 54.67 3gr2 s GLN 147 Cb 0.01 -0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 3gr2 s GLN 147 CO 0.07 0.09 0.15 0.50 -2.12 0.00 0.00 175.29 173.97 3gr2 s ARG 148 N -1.10 4.14 -0.26 2.91 3.52 0.35 -4.29 118.95 124.21 3gr2 s ARG 148 Ca -0.05 -0.24 -0.02 0.00 -0.13 0.00 0.00 55.73 55.29 3gr2 s ARG 148 Cb -0.07 -3.47 0.08 0.00 -1.56 0.00 0.00 34.95 29.93 3gr2 s ARG 148 CO 0.00 0.19 0.07 -1.17 -0.81 0.00 0.00 175.30 173.59 3gr2 s LEU 149 N 0.68 1.62 -0.14 -0.88 2.96 -0.60 -1.96 118.68 120.37 3gr2 s LEU 149 Ca 0.08 -1.27 -0.40 0.00 -0.22 0.00 0.00 54.13 52.31 3gr2 s LEU 149 Cb -0.12 -0.70 -0.18 0.00 0.50 0.00 0.00 46.19 45.69 3gr2 s LEU 149 CO 0.01 -0.37 1.45 0.00 -1.32 0.00 0.00 176.35 176.11 3gr2 n TYR 150 N 4.97 1.54 -3.67 5.38 4.19 -1.26 -4.79 117.16 123.52 3gr2 n TYR 150 Ca -0.05 0.78 -0.08 0.00 3.31 0.00 0.00 57.90 61.85 3gr2 n TYR 150 Cb 0.44 -2.30 -0.09 0.00 0.49 0.00 0.00 39.34 37.88 3gr2 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3gr2 s ALA 151 N 1.70 -1.36 0.30 2.98 0.00 -1.26 -4.38 121.76 119.74 3gr2 s ALA 151 Ca 0.93 1.78 0.03 0.00 0.00 0.00 0.00 51.96 54.71 3gr2 s ALA 151 Cb -1.14 -1.25 0.48 0.00 0.00 0.00 0.00 23.12 21.20 3gr2 s ALA 151 CO 0.60 -0.53 1.78 -0.91 0.00 0.00 0.00 175.76 176.70 3gr2 h ASN 152 N 7.56 0.49 0.76 0.00 2.35 -0.68 -2.81 115.58 123.24 3gr2 h ASN 152 Ca -0.26 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3gr2 h ASN 152 Cb 1.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3gr2 h ASN 152 CO 0.19 0.67 0.00 0.77 -1.65 0.00 0.00 177.43 177.41 3gr2 h SER 153 N 0.46 0.00 0.00 5.81 4.64 -1.65 0.81 113.55 123.62 3gr2 h SER 153 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3gr2 h SER 153 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3gr2 h SER 153 CO 0.03 0.00 -0.09 -1.28 -0.87 0.00 0.00 176.83 174.63 3gr2 h SER 154 N 0.00 0.00 0.59 4.97 0.87 -1.74 -3.27 113.55 114.98 3gr2 h SER 154 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3gr2 h SER 154 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3gr2 h SER 154 CO 0.00 0.20 -0.30 -0.29 -0.53 0.00 0.00 176.83 175.91 3gr2 h ILE 155 N -0.31 0.88 -0.33 2.23 2.10 -1.37 -2.38 117.51 118.34 3gr2 h ILE 155 Ca 0.00 -1.17 0.03 0.00 1.08 0.00 0.00 64.86 64.80 3gr2 h ILE 155 Cb 0.09 1.70 -0.03 0.00 -1.09 0.00 0.00 36.82 37.48 3gr2 h ILE 155 CO 0.00 0.29 0.13 1.23 -1.08 0.00 0.00 178.15 178.73 3gr2 h GLY 156 N 1.49 0.42 1.00 8.18 0.00 -1.03 -0.98 103.07 112.15 3gr2 h GLY 156 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 3gr2 h GLY 156 CO 0.04 0.06 0.06 -2.00 0.00 0.00 0.00 176.54 174.69 3gr2 h LEU 157 N 0.29 0.84 -0.41 3.11 5.85 -1.53 -2.54 115.31 120.91 3gr2 h LEU 157 Ca 0.14 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3gr2 h LEU 157 Cb 0.09 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 3gr2 h LEU 157 CO -0.13 0.90 -0.03 0.15 -0.34 0.00 0.00 178.44 179.00 3gr2 h PHE 158 N 0.74 -0.09 -0.49 1.25 3.57 -1.14 -0.95 116.94 119.85 3gr2 h PHE 158 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.73 3gr2 h PHE 158 Cb 0.44 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3gr2 h PHE 158 CO 0.03 -0.11 0.25 0.78 -2.23 0.00 0.00 178.31 177.03 3gr2 h GLY 159 N 0.07 0.68 1.03 2.40 0.00 -1.02 0.18 103.07 106.41 3gr2 h GLY 159 Ca 0.20 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3gr2 h GLY 159 CO -0.37 0.11 0.20 0.00 0.00 0.00 0.00 176.54 176.48 3gr2 h ALA 160 N 1.26 0.86 0.02 3.60 0.00 -1.03 -3.09 119.26 120.88 3gr2 h ALA 160 Ca 0.21 -0.22 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3gr2 h ALA 160 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gr2 h ALA 160 CO -0.15 0.54 -0.94 -0.07 0.00 0.00 0.00 179.25 178.62 3gr2 h LEU 161 N 0.95 0.20 -1.97 0.00 3.38 -0.88 -3.28 115.31 113.71 3gr2 h LEU 161 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gr2 h LEU 161 Cb 0.31 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gr2 h LEU 161 CO -0.00 1.03 -0.05 0.00 0.09 0.00 0.00 178.44 179.51 3gr2 h ALA 162 N 0.95 1.85 -0.01 1.53 0.00 -0.57 -2.04 119.26 120.96 3gr2 h ALA 162 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gr2 h ALA 162 Cb 1.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gr2 h ALA 162 CO 0.14 0.06 -0.23 1.33 0.00 0.00 0.00 179.25 180.55 3gr2 n VAL 163 N -4.38 0.00 0.07 0.00 0.24 -1.21 -4.57 118.33 108.49 3gr2 n VAL 163 Ca -0.03 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 61.92 3gr2 n VAL 163 Cb 0.13 0.78 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 3gr2 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3gr2 h LYS 164 N 2.20 -0.16 -0.53 7.34 1.57 -1.45 -2.75 116.57 122.79 3gr2 h LYS 164 Ca 0.00 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3gr2 h LYS 164 Cb 0.63 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3gr2 h LYS 164 CO 0.00 -0.11 0.36 -1.35 -0.57 0.00 0.00 179.45 177.78 3gr2 h PRO 165 N -0.17 0.29 0.00 3.15 0.11 -1.80 -1.98 132.00 131.60 3gr2 h PRO 165 Ca 0.02 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3gr2 h PRO 165 Cb 0.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3gr2 h PRO 165 CO -0.05 0.19 -0.12 0.66 -0.21 0.00 0.00 178.00 178.47 3gr2 h SER 166 N 0.30 0.00 0.00 -2.05 4.64 -1.79 -3.46 113.55 111.19 3gr2 h SER 166 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3gr2 h SER 166 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3gr2 h SER 166 CO -0.06 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3gr2 n GLY 167 N -0.80 2.65 3.83 -0.77 0.00 -0.75 -5.02 105.19 104.33 3gr2 n GLY 167 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3gr2 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gr2 s LEU 168 N 0.00 3.90 0.81 0.99 1.43 -1.26 -5.05 118.68 119.51 3gr2 s LEU 168 Ca 0.00 1.63 -0.11 0.00 -1.03 0.00 0.00 54.13 54.62 3gr2 s LEU 168 Cb 0.00 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 41.82 3gr2 s LEU 168 CO 0.00 -0.38 1.12 -0.94 0.23 0.00 0.00 176.35 176.38 3gr2 s SER 169 N -2.34 3.96 0.22 2.29 1.04 -1.26 -4.74 113.70 112.86 3gr2 s SER 169 Ca 0.61 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.95 3gr2 s SER 169 Cb -0.09 -2.54 0.29 0.00 0.10 0.00 0.00 66.02 63.77 3gr2 s SER 169 CO 0.17 -2.41 1.79 0.15 0.98 0.00 0.00 173.24 173.92 3gr2 h PHE 170 N -1.27 0.66 -0.38 5.02 3.57 -1.93 -0.70 116.94 121.91 3gr2 h PHE 170 Ca -0.44 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 3gr2 h PHE 170 Cb 1.25 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3gr2 h PHE 170 CO 0.54 0.28 0.17 1.49 -2.23 0.00 0.00 178.31 178.56 3gr2 h GLU 171 N 0.64 0.55 -0.55 1.11 4.81 -1.99 -1.16 114.58 117.99 3gr2 h GLU 171 Ca 0.32 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3gr2 h GLU 171 Cb 0.28 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3gr2 h GLU 171 CO -0.23 0.50 0.21 0.37 -0.73 0.00 0.00 179.01 179.13 3gr2 h GLN 172 N 0.47 0.84 -0.10 1.92 5.75 -1.83 -0.87 115.11 121.29 3gr2 h GLN 172 Ca 0.13 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3gr2 h GLN 172 Cb 0.14 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 3gr2 h GLN 172 CO -0.01 0.74 0.06 0.00 -2.65 0.00 0.00 178.83 176.96 3gr2 h ALA 173 N 1.06 0.12 -0.09 3.38 0.00 -1.02 -0.19 119.26 122.52 3gr2 h ALA 173 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gr2 h ALA 173 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gr2 h ALA 173 CO -0.01 -0.38 0.05 1.98 0.00 0.00 0.00 179.25 180.89 3gr2 h MET 174 N 0.11 0.10 0.10 0.00 1.85 -1.10 0.11 114.93 116.10 3gr2 h MET 174 Ca 0.03 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 3gr2 h MET 174 Cb 0.01 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 3gr2 h MET 174 CO -0.01 0.07 -0.27 0.37 -0.40 0.00 0.00 176.91 176.67 3gr2 h GLN 175 N 0.11 -0.45 -0.07 0.39 5.75 -1.06 -0.82 115.11 118.95 3gr2 h GLN 175 Ca 0.04 0.03 -0.19 0.00 -0.15 0.00 0.00 58.65 58.37 3gr2 h GLN 175 Cb -0.00 0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.65 3gr2 h GLN 175 CO -0.02 -0.30 -0.77 1.15 -2.65 0.00 0.00 178.83 176.24 3gr2 h THR 176 N -0.47 1.38 0.00 2.39 2.02 -0.93 0.15 112.91 117.46 3gr2 h THR 176 Ca 0.04 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.02 3gr2 h THR 176 Cb 0.51 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 3gr2 h THR 176 CO -0.17 0.66 -1.80 0.54 0.37 0.00 0.00 175.52 175.12 3gr2 n ARG 177 N -3.82 0.60 0.06 6.66 1.74 0.36 -4.39 116.66 117.87 3gr2 n ARG 177 Ca -0.05 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 3gr2 n ARG 177 Cb 0.73 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 3gr2 n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gr2 n VAL 178 N -2.11 0.93 0.31 1.55 0.31 -0.50 -4.75 118.33 114.07 3gr2 n VAL 178 Ca -0.03 0.31 -0.17 0.00 -0.01 0.00 0.00 64.34 64.44 3gr2 n VAL 178 Cb 0.49 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.98 3gr2 n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3gr2 h PHE 179 N 0.00 -0.69 0.36 3.52 0.04 -1.20 -2.86 116.94 116.11 3gr2 h PHE 179 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3gr2 h PHE 179 Cb 0.00 0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 3gr2 h PHE 179 CO 0.00 -0.42 -0.21 1.96 -0.60 0.00 0.00 178.31 179.03 3gr2 h GLN 180 N -0.77 -0.53 -0.49 1.51 4.20 -1.20 0.50 115.11 118.34 3gr2 h GLN 180 Ca -0.08 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.74 3gr2 h GLN 180 Cb 0.58 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 3gr2 h GLN 180 CO 0.13 -0.35 0.33 -1.35 -0.67 0.00 0.00 178.83 176.92 3gr2 h PRO 181 N -0.55 0.37 -0.11 1.46 0.11 -1.77 -1.08 132.00 130.43 3gr2 h PRO 181 Ca -0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3gr2 h PRO 181 Cb 0.44 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3gr2 h PRO 181 CO 0.05 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 179.36 3gr2 n LEU 182 N -4.47 1.40 -3.49 2.35 4.77 -1.07 -4.92 117.00 111.56 3gr2 n LEU 182 Ca 0.07 -0.56 -0.25 0.00 -0.03 0.00 0.00 56.01 55.25 3gr2 n LEU 182 Cb 0.29 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3gr2 n LEU 182 CO 0.34 0.28 0.15 0.29 -1.33 0.00 0.00 177.39 177.12 3gr2 n LYS 183 N 0.13 -6.54 -2.80 3.23 5.02 -0.41 -4.91 118.16 111.88 3gr2 n LYS 183 Ca 0.17 0.79 -0.44 0.00 -2.02 0.00 0.00 58.31 56.82 3gr2 n LYS 183 Cb 0.30 -5.76 0.00 0.00 -0.02 0.00 0.00 35.03 29.56 3gr2 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gr2 n LEU 184 N -4.64 5.65 -0.18 -0.35 4.77 0.09 -4.80 117.00 117.55 3gr2 n LEU 184 Ca -0.02 -4.56 0.15 0.00 -0.03 0.00 0.00 56.01 51.55 3gr2 n LEU 184 Cb 0.57 -1.57 0.67 0.00 -2.33 0.00 0.00 43.42 40.76 3gr2 n LEU 184 CO 0.62 0.96 0.93 0.59 -1.33 0.00 0.00 177.39 179.15 3gr2 n ASN 185 N 4.91 0.62 -2.46 -1.43 3.02 -1.26 -3.57 115.26 115.08 3gr2 n ASN 185 Ca 0.37 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.89 3gr2 n ASN 185 Cb 0.41 -0.03 0.03 0.00 -0.61 0.00 0.00 39.78 39.58 3gr2 n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3gr2 n HIS 186 N -0.68 1.97 -4.93 3.10 8.25 -1.26 -5.02 115.22 116.65 3gr2 n HIS 186 Ca 0.18 -2.22 -0.28 0.00 -0.26 0.00 0.00 57.72 55.14 3gr2 n HIS 186 Cb 0.26 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 30.92 3gr2 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gr2 s THR 187 N -4.18 1.63 -0.01 1.59 2.01 -1.23 -3.50 115.64 111.94 3gr2 s THR 187 Ca 0.38 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 3gr2 s THR 187 Cb 0.37 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.45 3gr2 s THR 187 CO -0.01 0.46 0.04 0.26 -0.69 0.00 0.00 174.62 174.69 3gr2 s TRP 188 N 0.45 -0.03 -0.03 4.92 0.52 0.28 -4.99 118.94 120.06 3gr2 s TRP 188 Ca -0.16 0.07 -0.13 0.00 0.02 0.00 0.00 56.10 55.90 3gr2 s TRP 188 Cb -0.17 0.00 -0.32 0.00 -1.15 0.00 0.00 33.47 31.84 3gr2 s TRP 188 CO 0.06 -0.05 0.75 0.82 0.02 0.00 0.00 176.95 178.56 3gr2 h ILE 189 N 5.02 1.05 -3.10 2.03 2.04 -1.85 0.25 117.51 122.94 3gr2 h ILE 189 Ca -0.25 -2.55 -0.66 0.00 1.00 0.00 0.00 64.86 62.40 3gr2 h ILE 189 Cb 1.21 2.85 -0.35 0.00 -0.74 0.00 0.00 36.82 39.79 3gr2 h ILE 189 CO 0.47 0.83 -0.86 0.20 0.00 0.00 0.00 178.15 178.80 3gr2 s ASN 190 N -7.35 3.04 -0.12 1.72 0.01 -1.26 -4.73 114.94 106.25 3gr2 s ASN 190 Ca -0.14 -0.61 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 3gr2 s ASN 190 Cb 0.05 -1.42 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 3gr2 s ASN 190 CO 0.87 0.00 1.65 -0.69 -1.51 0.00 0.00 177.10 177.42 3gr2 s VAL 191 N 1.24 3.62 0.55 1.60 1.01 -1.26 -4.98 120.40 122.18 3gr2 s VAL 191 Ca 0.03 0.74 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 3gr2 s VAL 191 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3gr2 s VAL 191 CO -0.11 -0.13 1.13 -2.84 0.00 0.00 0.00 175.10 173.15 3gr2 s PRO 192 N 4.30 3.34 0.39 2.72 0.02 -1.26 -4.91 135.00 139.59 3gr2 s PRO 192 Ca 0.73 1.59 0.18 0.00 0.02 0.00 0.00 61.00 63.53 3gr2 s PRO 192 Cb -0.30 -2.00 1.11 0.00 0.02 0.00 0.00 34.50 33.33 3gr2 s PRO 192 CO 0.29 -0.86 1.74 -1.35 -0.33 0.00 0.00 177.00 176.49 3gr2 h PRO 193 N 1.14 0.37 -0.01 5.54 0.11 -2.01 -0.27 132.00 136.86 3gr2 h PRO 193 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3gr2 h PRO 193 Cb 1.26 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gr2 h PRO 193 CO 0.57 0.24 0.01 0.00 -0.21 0.00 0.00 178.00 178.61 3gr2 h ALA 194 N 1.65 1.72 -0.11 -0.75 0.00 -2.02 -2.60 119.26 117.14 3gr2 h ALA 194 Ca 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 3gr2 h ALA 194 Cb 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gr2 h ALA 194 CO -0.36 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.27 3gr2 n GLU 195 N -4.11 2.14 0.25 0.00 -0.58 -0.12 -4.52 120.64 113.70 3gr2 n GLU 195 Ca -0.03 -1.91 0.09 0.00 -0.42 0.00 0.00 57.16 54.89 3gr2 n GLU 195 Cb 0.09 -1.43 0.65 0.00 -0.57 0.00 0.00 31.44 30.18 3gr2 n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3gr2 h GLU 196 N 4.26 0.00 0.00 3.49 4.39 -1.34 -0.52 114.58 124.86 3gr2 h GLU 196 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3gr2 h GLU 196 Cb 0.92 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3gr2 h GLU 196 CO 0.00 0.08 -0.06 1.57 -1.16 0.00 0.00 179.01 179.44 3gr2 h LYS 197 N 0.00 0.00 0.00 2.33 2.10 -1.81 -2.82 116.57 116.37 3gr2 h LYS 197 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gr2 h LYS 197 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3gr2 h LYS 197 CO 0.01 0.06 -0.86 0.09 -2.00 0.00 0.00 179.45 176.75 3gr2 n ASN 198 N -3.78 0.74 -4.59 7.07 3.02 -0.21 -4.91 115.26 112.61 3gr2 n ASN 198 Ca -0.02 -0.59 -0.42 0.00 -0.03 0.00 0.00 54.58 53.51 3gr2 n ASN 198 Cb 0.15 0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 40.03 3gr2 n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gr2 s TYR 199 N -3.04 2.57 0.68 3.10 5.04 -1.07 -0.15 117.35 124.48 3gr2 s TYR 199 Ca 0.08 0.53 -0.17 0.00 -2.44 0.00 0.00 57.07 55.07 3gr2 s TYR 199 Cb 0.16 -4.46 0.01 0.00 0.35 0.00 0.00 41.96 38.02 3gr2 s TYR 199 CO 0.80 -1.63 1.27 0.00 -1.34 0.00 0.00 175.55 174.65 3gr2 s ALA 200 N 5.09 2.27 0.15 3.97 0.00 -0.63 -4.93 121.76 127.68 3gr2 s ALA 200 Ca 0.48 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.36 3gr2 s ALA 200 Cb -0.09 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 3gr2 s ALA 200 CO 0.28 -1.72 0.63 -1.58 0.00 0.00 0.00 175.76 173.37 3gr2 s TRP 201 N -1.59 3.71 0.47 0.00 0.52 -0.29 -4.92 118.94 116.84 3gr2 s TRP 201 Ca 0.80 1.29 -0.10 0.00 0.02 0.00 0.00 56.10 58.11 3gr2 s TRP 201 Cb -0.35 -2.53 -0.05 0.00 -1.15 0.00 0.00 33.47 29.39 3gr2 s TRP 201 CO 0.42 0.46 0.83 0.20 0.02 0.00 0.00 176.95 178.88 3gr2 s GLY 202 N -1.45 1.79 -0.13 0.98 0.00 -0.12 -4.82 107.32 103.57 3gr2 s GLY 202 Ca 0.36 -0.23 -0.00 0.00 0.00 0.00 0.00 44.72 44.85 3gr2 s GLY 202 CO 0.20 -0.03 -0.10 -0.19 0.00 0.00 0.00 173.10 172.99 3gr2 s TYR 203 N -2.62 1.75 -0.08 1.90 2.02 -0.64 -0.25 117.35 119.42 3gr2 s TYR 203 Ca 0.51 -0.94 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3gr2 s TYR 203 Cb -0.10 -1.37 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3gr2 s TYR 203 CO 0.38 -0.58 -0.08 0.50 -1.57 0.00 0.00 175.55 174.21 3gr2 s ARG 204 N 1.62 1.37 -1.54 -0.62 3.52 -0.83 -4.38 118.95 118.10 3gr2 s ARG 204 Ca 0.05 -0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.25 3gr2 s ARG 204 Cb -0.13 -1.35 0.14 0.00 -1.56 0.00 0.00 34.95 32.05 3gr2 s ARG 204 CO -0.09 -0.15 0.67 0.39 -0.81 0.00 0.00 175.30 175.30 3gr2 n GLU 205 N 4.48 -3.02 -0.42 5.12 1.02 -1.26 -1.28 120.64 125.28 3gr2 n GLU 205 Ca -0.17 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3gr2 n GLU 205 Cb 0.51 -5.07 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 3gr2 n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gr2 n GLY 206 N -1.26 1.74 3.89 0.62 0.00 -1.26 -5.03 105.19 103.89 3gr2 n GLY 206 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3gr2 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gr2 s LYS 207 N -0.15 3.70 -0.16 1.61 -0.14 -0.40 -5.06 119.74 119.14 3gr2 s LYS 207 Ca 0.00 0.13 -0.24 0.00 -1.36 0.00 0.00 55.97 54.50 3gr2 s LYS 207 Cb 0.00 -2.63 -0.02 0.00 -1.68 0.00 0.00 37.83 33.50 3gr2 s LYS 207 CO 0.00 0.24 0.78 0.00 -0.76 0.00 0.00 175.35 175.61 3gr2 s ALA 208 N -2.00 3.50 0.04 5.17 0.00 -1.26 -1.95 121.76 125.25 3gr2 s ALA 208 Ca 0.46 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3gr2 s ALA 208 Cb -0.11 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3gr2 s ALA 208 CO 0.27 -0.58 -0.07 0.14 0.00 0.00 0.00 175.76 175.51 3gr2 s VAL 209 N 1.98 0.51 0.24 0.00 -7.23 0.65 -4.94 120.40 111.61 3gr2 s VAL 209 Ca 0.36 -0.96 0.11 0.00 -1.81 0.00 0.00 61.98 59.69 3gr2 s VAL 209 Cb -0.17 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 3gr2 s VAL 209 CO 0.13 -0.32 -0.21 -1.00 -0.31 0.00 0.00 175.10 173.39 3gr2 s HIS 210 N -1.21 2.25 0.32 2.82 3.76 -1.26 -0.94 115.29 121.02 3gr2 s HIS 210 Ca -0.09 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.18 3gr2 s HIS 210 Cb -0.09 -1.03 -0.12 0.00 1.11 0.00 0.00 32.58 32.45 3gr2 s HIS 210 CO 0.00 0.61 1.45 1.55 -0.85 0.00 0.00 174.74 177.50 3gr2 n VAL 211 N -0.27 1.56 -3.21 -0.90 3.14 -1.26 -4.99 118.33 112.40 3gr2 n VAL 211 Ca -0.08 -0.39 -0.34 0.00 -2.96 0.00 0.00 64.34 60.57 3gr2 n VAL 211 Cb 0.59 -1.77 -0.06 0.00 -1.06 0.00 0.00 33.84 31.54 3gr2 n VAL 211 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3gr2 s SER 212 N 0.06 6.86 0.54 6.55 1.04 -1.26 -5.05 113.70 122.43 3gr2 s SER 212 Ca 0.59 1.23 -0.21 0.00 0.48 0.00 0.00 55.95 58.04 3gr2 s SER 212 Cb -0.54 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.18 3gr2 s SER 212 CO 0.57 -0.04 1.32 -2.84 0.98 0.00 0.00 173.24 173.23 3gr2 s PRO 213 N -2.40 3.17 0.22 4.02 0.02 -1.26 -5.02 135.00 133.74 3gr2 s PRO 213 Ca 0.46 2.15 -0.21 0.00 0.02 0.00 0.00 61.00 63.41 3gr2 s PRO 213 Cb -0.14 -2.23 0.04 0.00 0.02 0.00 0.00 34.50 32.19 3gr2 s PRO 213 CO 0.19 -1.14 0.64 0.20 -0.33 0.00 0.00 177.00 176.56 3gr2 s GLY 214 N -1.06 -0.30 0.31 0.52 0.00 -1.26 -5.09 107.32 100.44 3gr2 s GLY 214 Ca 0.72 0.02 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 3gr2 s GLY 214 CO 0.45 -0.02 1.43 0.00 0.00 0.00 0.00 173.10 174.95 3gr2 s ALA 215 N -3.84 3.59 -1.20 3.20 0.00 -1.26 -2.68 121.76 119.55 3gr2 s ALA 215 Ca 0.07 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 3gr2 s ALA 215 Cb -0.03 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3gr2 s ALA 215 CO -0.03 -0.82 0.08 1.28 0.00 0.00 0.00 175.76 176.28 3gr2 n LEU 216 N 1.33 -1.38 -0.07 0.00 4.77 -1.26 -4.87 117.00 115.52 3gr2 n LEU 216 Ca 0.03 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3gr2 n LEU 216 Cb 0.40 -2.30 -0.05 0.00 -2.33 0.00 0.00 43.42 39.14 3gr2 n LEU 216 CO 0.61 -0.09 0.68 -2.24 -1.33 0.00 0.00 177.39 175.02 3gr2 h ASP 217 N -0.17 0.45 -0.73 -1.43 3.04 -1.92 -2.60 116.42 113.05 3gr2 h ASP 217 Ca -0.35 -0.40 0.10 0.00 -3.24 0.00 0.00 57.03 53.14 3gr2 h ASP 217 Cb 1.25 -0.12 -0.07 0.00 -1.04 0.00 0.00 39.33 39.35 3gr2 h ASP 217 CO 0.41 0.74 0.37 0.00 -2.04 0.00 0.00 179.24 178.73 3gr2 h ALA 218 N 0.72 1.02 0.00 4.15 0.00 -1.90 0.20 119.26 123.45 3gr2 h ALA 218 Ca 0.05 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3gr2 h ALA 218 Cb 0.57 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gr2 h ALA 218 CO 0.03 -0.03 -0.46 0.93 0.00 0.00 0.00 179.25 179.72 3gr2 h GLU 219 N 0.63 0.00 0.00 0.00 3.07 -1.87 -3.29 114.58 113.12 3gr2 h GLU 219 Ca 0.36 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.05 3gr2 h GLU 219 Cb 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.26 3gr2 h GLU 219 CO -0.27 0.46 -1.65 0.00 -1.40 0.00 0.00 179.01 176.15 3gr2 n ALA 220 N -2.28 1.76 -1.92 3.43 0.00 -0.98 -4.57 120.51 115.96 3gr2 n ALA 220 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3gr2 n ALA 220 Cb 0.61 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.22 3gr2 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3gr2 n TYR 221 N -2.63 0.00 1.19 0.00 0.18 0.07 -4.08 117.16 111.89 3gr2 n TYR 221 Ca -0.18 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.72 3gr2 n TYR 221 Cb 0.75 0.15 0.25 0.00 -0.38 0.00 0.00 39.34 40.11 3gr2 n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3gr2 n GLY 222 N 0.00 0.19 3.77 -7.48 0.00 0.47 -3.74 105.19 98.40 3gr2 n GLY 222 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3gr2 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gr2 s VAL 223 N -2.20 4.32 0.01 1.61 1.01 -1.26 -4.52 120.40 119.38 3gr2 s VAL 223 Ca 0.28 1.79 0.08 0.00 0.00 0.00 0.00 61.98 64.13 3gr2 s VAL 223 Cb 0.20 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3gr2 s VAL 223 CO 0.41 0.51 -0.25 -0.54 0.00 0.00 0.00 175.10 175.23 3gr2 s LYS 224 N -1.07 1.98 0.20 2.72 3.01 0.86 -1.27 119.74 126.17 3gr2 s LYS 224 Ca 0.37 -1.01 -0.17 0.00 -1.01 0.00 0.00 55.97 54.15 3gr2 s LYS 224 Cb -0.24 -2.03 0.02 0.00 -1.01 0.00 0.00 37.83 34.57 3gr2 s LYS 224 CO 0.27 0.54 0.52 0.45 0.51 0.00 0.00 175.35 177.64 3gr2 s SER 225 N -0.97 -0.23 0.37 2.83 0.15 -0.65 -0.56 113.70 114.64 3gr2 s SER 225 Ca 0.11 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3gr2 s SER 225 Cb -0.10 0.58 -0.01 0.00 -1.71 0.00 0.00 66.02 64.78 3gr2 s SER 225 CO 0.01 -1.07 0.55 0.42 1.20 0.00 0.00 173.24 174.35 3gr2 s THR 226 N -3.89 4.32 0.43 6.45 -4.23 -1.23 -0.88 115.64 116.62 3gr2 s THR 226 Ca 0.11 -0.73 0.12 0.00 -1.18 0.00 0.00 61.69 60.00 3gr2 s THR 226 Cb -0.01 -3.55 0.21 0.00 1.34 0.00 0.00 72.50 70.48 3gr2 s THR 226 CO -0.01 -0.30 2.01 -0.29 -0.54 0.00 0.00 174.62 175.48 3gr2 h ILE 227 N 0.71 1.11 -0.05 2.99 6.09 -1.73 -1.42 117.51 125.22 3gr2 h ILE 227 Ca -0.47 -0.48 -0.02 0.00 -1.37 0.00 0.00 64.86 62.52 3gr2 h ILE 227 Cb 1.25 1.08 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 3gr2 h ILE 227 CO 0.57 0.15 -0.04 -0.33 -3.07 0.00 0.00 178.15 175.42 3gr2 h GLU 228 N 0.17 0.11 -0.58 2.19 5.08 -1.94 -1.13 114.58 118.48 3gr2 h GLU 228 Ca 0.04 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3gr2 h GLU 228 Cb 0.21 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3gr2 h GLU 228 CO 0.01 0.56 0.18 -0.44 -1.00 0.00 0.00 179.01 178.32 3gr2 h ASP 229 N -0.34 0.81 -0.07 1.42 5.19 -1.87 -1.87 116.42 119.70 3gr2 h ASP 229 Ca 0.01 -0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.16 3gr2 h ASP 229 Cb 0.54 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3gr2 h ASP 229 CO 0.01 0.77 -0.38 0.24 -3.12 0.00 0.00 179.24 176.76 3gr2 h MET 230 N 0.85 0.58 -0.53 3.56 2.86 -1.23 0.12 114.93 121.14 3gr2 h MET 230 Ca 0.19 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3gr2 h MET 230 Cb 0.25 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3gr2 h MET 230 CO -0.01 0.87 0.32 0.00 1.06 0.00 0.00 176.91 179.15 3gr2 h ALA 231 N 1.10 0.68 -0.73 6.32 0.00 -0.99 -1.24 119.26 124.41 3gr2 h ALA 231 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gr2 h ALA 231 Cb 0.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3gr2 h ALA 231 CO 0.08 0.04 0.32 0.00 0.00 0.00 0.00 179.25 179.69 3gr2 h ARG 232 N 0.65 1.06 -0.36 0.00 3.08 -0.87 -0.67 114.38 117.27 3gr2 h ARG 232 Ca 0.21 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 3gr2 h ARG 232 Cb 0.01 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3gr2 h ARG 232 CO -0.09 0.84 0.22 2.35 -1.07 0.00 0.00 179.97 182.22 3gr2 h TRP 233 N 1.05 0.47 -0.33 3.04 -0.00 -0.45 -0.26 115.95 119.47 3gr2 h TRP 233 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 59.14 3gr2 h TRP 233 Cb 0.15 -0.15 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 3gr2 h TRP 233 CO 0.01 0.33 0.19 0.28 -0.00 0.00 0.00 178.44 179.26 3gr2 h VAL 234 N 0.47 1.12 -0.59 2.65 2.07 -0.92 -1.72 116.25 119.34 3gr2 h VAL 234 Ca 0.13 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3gr2 h VAL 234 Cb -0.01 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3gr2 h VAL 234 CO -0.02 0.12 0.30 -0.61 0.02 0.00 0.00 177.57 177.38 3gr2 h GLN 235 N 0.42 0.55 -0.98 1.57 5.75 -0.86 0.15 115.11 121.71 3gr2 h GLN 235 Ca 0.12 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3gr2 h GLN 235 Cb 0.02 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.40 3gr2 h GLN 235 CO -0.02 0.37 0.62 0.77 -2.65 0.00 0.00 178.83 177.92 3gr2 h SER 236 N 0.57 1.15 1.35 -0.69 0.02 -0.80 -1.73 113.55 113.42 3gr2 h SER 236 Ca 0.26 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3gr2 h SER 236 Cb 0.18 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3gr2 h SER 236 CO -0.18 0.85 -0.53 0.78 -1.14 0.00 0.00 176.83 176.61 3gr2 h ASN 237 N 1.33 0.00 -0.40 3.07 2.35 -0.73 -2.94 115.58 118.27 3gr2 h ASN 237 Ca 0.35 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.98 3gr2 h ASN 237 Cb -0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3gr2 h ASN 237 CO -0.07 0.53 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.92 3gr2 h LEU 238 N 0.00 0.90 -6.28 1.61 3.38 -0.36 -3.40 115.31 111.16 3gr2 h LEU 238 Ca -0.01 -0.42 -0.58 0.00 0.09 0.00 0.00 57.88 56.96 3gr2 h LEU 238 Cb 1.34 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 41.45 3gr2 h LEU 238 CO 0.07 1.13 -0.92 0.29 0.09 0.00 0.00 178.44 179.10 3gr2 n LYS 239 N -4.19 0.95 0.30 1.13 5.02 -0.68 -4.84 118.16 115.85 3gr2 n LYS 239 Ca -0.02 -3.58 0.18 0.00 -2.02 0.00 0.00 58.31 52.86 3gr2 n LYS 239 Cb 0.46 -1.66 0.91 0.00 -0.02 0.00 0.00 35.03 34.73 3gr2 n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3gr2 h PRO 240 N 4.74 0.00 0.00 1.97 0.13 -1.73 -2.66 132.00 134.45 3gr2 h PRO 240 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 3gr2 h PRO 240 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3gr2 h PRO 240 CO 0.52 0.04 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.21 3gr2 h LEU 241 N 0.00 0.00 -0.63 1.56 3.38 -1.89 -1.90 115.31 115.83 3gr2 h LEU 241 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gr2 h LEU 241 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gr2 h LEU 241 CO 0.01 0.05 0.00 0.44 0.09 0.00 0.00 178.44 179.03 3gr2 h ASP 242 N 0.00 0.00 -3.25 -0.43 3.32 -1.85 -3.44 116.42 110.77 3gr2 h ASP 242 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3gr2 h ASP 242 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3gr2 h ASP 242 CO 0.01 0.00 0.52 -0.63 -1.72 0.00 0.00 179.24 177.42 3gr2 s ILE 243 N -3.34 4.37 -0.16 0.35 1.01 -0.71 -4.95 121.20 117.77 3gr2 s ILE 243 Ca 0.05 1.70 0.17 0.00 0.00 0.00 0.00 60.65 62.58 3gr2 s ILE 243 Cb 0.09 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3gr2 s ILE 243 CO 0.52 0.10 1.06 0.78 0.00 0.00 0.00 174.94 177.40 3gr2 h ASN 244 N 6.92 0.00 -3.19 3.58 2.35 -1.87 -3.44 115.58 119.93 3gr2 h ASN 244 Ca -0.40 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.78 3gr2 h ASN 244 Cb 1.20 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.52 3gr2 h ASN 244 CO 0.80 0.44 0.90 -1.61 -1.65 0.00 0.00 177.43 176.31 3gr2 s GLU 245 N -3.02 4.04 0.09 0.81 8.01 -1.26 -4.95 118.70 122.43 3gr2 s GLU 245 Ca -0.00 1.22 -0.29 0.00 0.01 0.00 0.00 54.97 55.91 3gr2 s GLU 245 Cb 0.08 -3.79 -0.14 0.00 -4.31 0.00 0.00 34.13 25.98 3gr2 s GLU 245 CO 0.78 -0.95 1.65 0.87 0.01 0.00 0.00 175.26 177.62 3gr2 h LYS 246 N 8.53 -0.56 -0.23 1.61 1.79 -2.00 -1.31 116.57 124.40 3gr2 h LYS 246 Ca -0.23 0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3gr2 h LYS 246 Cb 1.08 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 3gr2 h LYS 246 CO 1.02 -0.37 -0.02 1.79 -1.08 0.00 0.00 179.45 180.79 3gr2 h THR 247 N -0.58 1.16 -0.17 -0.16 1.35 -1.92 -1.52 112.91 111.07 3gr2 h THR 247 Ca -0.02 -0.62 -0.10 0.00 -0.55 0.00 0.00 66.41 65.12 3gr2 h THR 247 Cb 0.51 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3gr2 h THR 247 CO -0.01 0.21 -0.29 0.25 -0.25 0.00 0.00 175.52 175.42 3gr2 h LEU 248 N 0.33 0.55 -0.68 3.87 5.85 -1.83 0.20 115.31 123.60 3gr2 h LEU 248 Ca 0.08 -0.54 0.11 0.00 0.84 0.00 0.00 57.88 58.37 3gr2 h LEU 248 Cb 0.26 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3gr2 h LEU 248 CO 0.01 0.98 0.26 -0.61 -0.34 0.00 0.00 178.44 178.74 3gr2 h GLN 249 N 0.13 0.41 -0.11 1.25 4.15 -0.90 -1.17 115.11 118.87 3gr2 h GLN 249 Ca 0.01 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.21 3gr2 h GLN 249 Cb 0.88 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.48 3gr2 h GLN 249 CO 0.07 0.27 -0.72 0.37 -1.93 0.00 0.00 178.83 176.89 3gr2 h GLN 250 N 0.43 0.53 -0.72 1.69 4.15 -1.17 -2.83 115.11 117.18 3gr2 h GLN 250 Ca 0.36 -0.42 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3gr2 h GLN 250 Cb 0.49 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3gr2 h GLN 250 CO -0.35 1.04 0.42 0.78 -1.93 0.00 0.00 178.83 178.79 3gr2 h GLY 251 N 1.06 1.06 1.00 2.39 0.00 -0.15 -1.03 103.07 107.41 3gr2 h GLY 251 Ca -0.03 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3gr2 h GLY 251 CO 0.13 0.44 0.35 -2.22 0.00 0.00 0.00 176.54 175.24 3gr2 h ILE 252 N 0.99 1.15 -0.71 2.60 2.04 -1.20 -1.72 117.51 120.65 3gr2 h ILE 252 Ca 0.26 -0.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3gr2 h ILE 252 Cb -0.00 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3gr2 h ILE 252 CO -0.05 0.14 0.43 1.56 0.00 0.00 0.00 178.15 180.24 3gr2 h GLN 253 N 0.73 0.97 -0.19 2.37 4.20 -1.21 -2.70 115.11 119.27 3gr2 h GLN 253 Ca 0.20 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3gr2 h GLN 253 Cb -0.06 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3gr2 h GLN 253 CO -0.04 0.68 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.51 3gr2 h LEU 254 N 0.97 0.33 -1.52 1.46 3.38 -0.95 -2.58 115.31 116.40 3gr2 h LEU 254 Ca 0.26 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 3gr2 h LEU 254 Cb -0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gr2 h LEU 254 CO -0.05 0.57 -0.19 0.00 0.09 0.00 0.00 178.44 178.86 3gr2 h ALA 255 N 1.46 1.16 -0.21 1.53 0.00 -0.99 -2.72 119.26 119.50 3gr2 h ALA 255 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gr2 h ALA 255 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gr2 h ALA 255 CO 0.04 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.57 3gr2 n GLN 256 N -3.55 2.27 -2.06 0.00 6.02 -0.99 -0.80 117.38 118.25 3gr2 n GLN 256 Ca -0.01 -1.88 -0.35 0.00 -0.01 0.00 0.00 57.00 54.74 3gr2 n GLN 256 Cb 0.34 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.14 3gr2 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3gr2 s SER 257 N -1.72 5.33 -0.47 1.08 0.01 -1.02 -3.96 113.70 112.95 3gr2 s SER 257 Ca 0.34 2.30 -0.17 0.00 1.31 0.00 0.00 55.95 59.74 3gr2 s SER 257 Cb 0.21 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.90 3gr2 s SER 257 CO 0.31 -1.49 0.48 -0.13 0.41 0.00 0.00 173.24 172.81 3gr2 s ARG 258 N -3.36 3.05 -0.16 12.44 0.52 0.08 -3.98 118.95 127.54 3gr2 s ARG 258 Ca 0.75 -1.03 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 3gr2 s ARG 258 Cb -0.28 -4.07 -0.23 0.00 0.52 0.00 0.00 34.95 30.89 3gr2 s ARG 258 CO 0.32 -1.04 0.20 0.66 0.02 0.00 0.00 175.30 175.46 3gr2 n TYR 259 N 5.62 0.57 -3.94 -0.53 4.01 -0.45 -2.48 117.16 119.96 3gr2 n TYR 259 Ca -0.09 0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.71 3gr2 n TYR 259 Cb 0.45 -1.09 -0.10 0.00 -0.31 0.00 0.00 39.34 38.29 3gr2 n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3gr2 s TRP 260 N -2.54 0.19 -0.08 -0.72 0.52 -1.24 -1.79 118.94 113.29 3gr2 s TRP 260 Ca -0.19 -0.42 0.05 0.00 0.02 0.00 0.00 56.10 55.55 3gr2 s TRP 260 Cb 0.07 -0.15 -0.01 0.00 -1.15 0.00 0.00 33.47 32.24 3gr2 s TRP 260 CO 0.75 -0.25 -0.24 -1.14 0.02 0.00 0.00 176.95 176.09 3gr2 s GLN 261 N -1.71 2.86 -0.18 4.98 0.74 -0.16 -1.17 119.66 125.01 3gr2 s GLN 261 Ca -0.13 -0.87 -0.01 0.00 0.05 0.00 0.00 55.36 54.40 3gr2 s GLN 261 Cb -0.07 -2.27 0.05 0.00 1.10 0.00 0.00 33.01 31.82 3gr2 s GLN 261 CO -0.01 0.27 -0.03 0.99 -0.55 0.00 0.00 175.29 175.97 3gr2 s THR 262 N 0.12 0.97 0.00 -0.34 2.01 -0.02 -1.28 115.64 117.11 3gr2 s THR 262 Ca -0.12 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3gr2 s THR 262 Cb -0.16 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.10 3gr2 s THR 262 CO 0.06 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 3gr2 n GLY 263 N 4.91 3.73 0.65 4.40 0.00 -1.26 -0.80 105.19 116.81 3gr2 n GLY 263 Ca -0.11 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3gr2 n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gr2 n ASP 264 N 8.73 2.14 -4.84 1.61 8.00 -1.26 -4.96 116.55 125.97 3gr2 n ASP 264 Ca 0.00 -1.64 -0.34 0.00 0.71 0.00 0.00 54.79 53.52 3gr2 n ASP 264 Cb 0.00 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 3gr2 n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3gr2 s MET 265 N -2.12 3.26 -0.09 -1.24 1.75 0.02 -4.47 119.30 116.42 3gr2 s MET 265 Ca 0.30 -0.36 0.03 0.00 -1.25 0.00 0.00 55.69 54.41 3gr2 s MET 265 Cb 0.20 -3.00 -0.01 0.00 2.84 0.00 0.00 34.83 34.86 3gr2 s MET 265 CO 0.37 0.68 -0.19 0.71 -0.65 0.00 0.00 175.02 175.95 3gr2 s TYR 266 N -1.19 2.63 -0.24 4.11 2.02 0.81 -0.84 117.35 124.65 3gr2 s TYR 266 Ca 0.22 -0.64 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 3gr2 s TYR 266 Cb -0.12 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3gr2 s TYR 266 CO 0.13 -0.17 0.48 -1.14 -1.57 0.00 0.00 175.55 173.29 3gr2 s GLN 267 N -0.03 4.10 0.00 -0.62 2.00 -0.32 -0.79 119.66 124.01 3gr2 s GLN 267 Ca -0.05 0.29 0.00 0.00 -2.00 0.00 0.00 55.36 53.60 3gr2 s GLN 267 Cb -0.15 -3.62 0.00 0.00 0.80 0.00 0.00 33.01 30.05 3gr2 s GLN 267 CO 0.05 -0.26 0.00 0.41 -0.50 0.00 0.00 175.29 174.99 3gr2 n GLY 268 N 4.26 2.59 3.38 2.59 0.00 -0.34 -1.34 105.19 116.33 3gr2 n GLY 268 Ca -0.05 -2.02 -0.45 0.00 0.00 0.00 0.00 46.02 43.50 3gr2 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gr2 s LEU 269 N 0.00 5.42 0.00 0.99 1.43 0.02 -4.58 118.68 121.96 3gr2 s LEU 269 Ca 0.00 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.53 3gr2 s LEU 269 Cb 0.00 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.91 3gr2 s LEU 269 CO 0.00 -1.09 0.00 0.61 0.23 0.00 0.00 176.35 176.10 3gr2 n GLY 270 N 5.20 1.95 3.74 -3.19 0.00 -1.26 -4.25 105.19 107.38 3gr2 n GLY 270 Ca -0.04 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3gr2 n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gr2 s TRP 271 N 0.00 2.20 0.11 1.61 0.52 -1.26 -4.67 118.94 117.45 3gr2 s TRP 271 Ca 0.00 1.43 0.10 0.00 0.02 0.00 0.00 56.10 57.65 3gr2 s TRP 271 Cb 0.00 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.55 3gr2 s TRP 271 CO 0.00 -2.87 -0.26 -1.21 0.02 0.00 0.00 176.95 172.64 3gr2 s GLU 272 N -3.14 1.41 0.04 4.98 2.02 -0.86 -1.20 118.70 121.94 3gr2 s GLU 272 Ca 0.77 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 54.51 3gr2 s GLU 272 Cb -0.38 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.02 3gr2 s GLU 272 CO 0.43 0.43 -0.08 -1.64 0.02 0.00 0.00 175.26 174.43 3gr2 s MET 273 N -1.88 0.52 0.06 1.61 -1.94 0.03 -1.06 119.30 116.64 3gr2 s MET 273 Ca 0.12 -0.71 0.02 0.00 -1.71 0.00 0.00 55.69 53.42 3gr2 s MET 273 Cb -0.10 -0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 3gr2 s MET 273 CO 0.05 0.06 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.53 3gr2 s LEU 274 N -1.44 2.34 0.15 -0.03 1.02 -0.47 -0.14 118.68 120.11 3gr2 s LEU 274 Ca -0.09 -0.70 -0.31 0.00 0.02 0.00 0.00 54.13 53.05 3gr2 s LEU 274 Cb -0.09 -0.15 -0.09 0.00 0.02 0.00 0.00 46.19 45.88 3gr2 s LEU 274 CO 0.00 -0.28 1.47 -1.81 0.02 0.00 0.00 176.35 175.75 3gr2 s ASP 275 N -2.05 6.71 -0.03 2.29 1.01 -1.26 -0.18 116.67 123.15 3gr2 s ASP 275 Ca -0.03 2.48 -0.16 0.00 0.71 0.00 0.00 52.55 55.55 3gr2 s ASP 275 Cb -0.05 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 3gr2 s ASP 275 CO -0.01 -0.73 0.42 0.86 0.21 0.00 0.00 175.17 175.92 3gr2 s TRP 276 N 1.04 3.67 0.28 4.23 -0.11 0.28 -3.34 118.94 124.99 3gr2 s TRP 276 Ca 0.67 0.96 -0.30 0.00 1.22 0.00 0.00 56.10 58.65 3gr2 s TRP 276 Cb -0.40 -2.35 -0.10 0.00 -1.50 0.00 0.00 33.47 29.11 3gr2 s TRP 276 CO 0.31 0.52 1.39 -1.25 -4.62 0.00 0.00 176.95 173.31 3gr2 s PRO 277 N -0.65 4.30 -0.16 5.86 0.04 -1.26 -4.74 135.00 138.39 3gr2 s PRO 277 Ca 0.24 2.26 -0.09 0.00 0.04 0.00 0.00 61.00 63.45 3gr2 s PRO 277 Cb -0.16 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 3gr2 s PRO 277 CO 0.12 -0.34 0.15 0.14 0.04 0.00 0.00 177.00 177.11 3gr2 s VAL 278 N -0.40 5.44 -0.14 -0.36 -7.23 -1.21 -5.06 120.40 111.45 3gr2 s VAL 278 Ca 0.55 0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 60.66 3gr2 s VAL 278 Cb -0.41 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.04 3gr2 s VAL 278 CO 0.47 0.52 1.62 0.21 -0.31 0.00 0.00 175.10 177.61 3gr2 s ASN 279 N -0.26 6.54 0.42 4.85 3.84 -1.26 -4.91 114.94 124.15 3gr2 s ASN 279 Ca 0.12 1.93 0.08 0.00 0.21 0.00 0.00 52.86 55.19 3gr2 s ASN 279 Cb -0.12 -2.53 0.89 0.00 -0.55 0.00 0.00 41.25 38.94 3gr2 s ASN 279 CO 0.01 -1.08 2.06 -0.65 -2.79 0.00 0.00 177.10 174.66 3gr2 h PRO 280 N 10.07 0.49 -0.50 0.43 0.11 -2.01 -3.13 132.00 137.46 3gr2 h PRO 280 Ca -0.36 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 65.82 3gr2 h PRO 280 Cb 1.16 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.06 3gr2 h PRO 280 CO 0.98 0.33 -0.22 0.22 -0.21 0.00 0.00 178.00 179.09 3gr2 h ASP 281 N 0.50 -0.77 0.05 -2.05 3.58 -1.98 -2.75 116.42 113.01 3gr2 h ASP 281 Ca 0.13 0.18 0.02 0.00 0.42 0.00 0.00 57.03 57.78 3gr2 h ASP 281 Cb -0.05 0.42 -0.05 0.00 1.72 0.00 0.00 39.33 41.38 3gr2 h ASP 281 CO -0.03 -0.25 -0.51 0.77 -2.88 0.00 0.00 179.24 176.35 3gr2 h SER 282 N -0.11 -1.54 0.11 2.28 4.64 -1.94 1.09 113.55 118.07 3gr2 h SER 282 Ca 0.23 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.70 3gr2 h SER 282 Cb 0.47 0.58 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3gr2 h SER 282 CO -0.57 -0.51 -0.08 0.16 -0.87 0.00 0.00 176.83 174.96 3gr2 h ILE 283 N -0.67 0.93 0.02 0.95 3.07 -1.75 -3.13 117.51 116.93 3gr2 h ILE 283 Ca 0.00 -0.29 -0.34 0.00 1.55 0.00 0.00 64.86 65.78 3gr2 h ILE 283 Cb 0.70 1.16 -0.06 0.00 -0.27 0.00 0.00 36.82 38.36 3gr2 h ILE 283 CO -0.31 0.08 -2.08 -0.38 -1.05 0.00 0.00 178.15 174.42 3gr2 n ILE 284 N -4.25 1.54 0.00 0.16 5.41 -0.65 -3.56 119.36 118.01 3gr2 n ILE 284 Ca -0.03 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 62.95 3gr2 n ILE 284 Cb 0.16 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 3gr2 n ILE 284 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3gr2 n ASN 285 N -3.02 0.53 0.00 4.38 3.02 0.37 -4.60 115.26 115.94 3gr2 n ASN 285 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3gr2 n ASN 285 Cb 1.08 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3gr2 n ASN 285 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gr2 n GLY 286 N 2.19 -1.32 0.00 7.41 0.00 -1.15 -4.78 105.19 107.53 3gr2 n GLY 286 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gr2 n GLY 286 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gr2 n SER 287 N -1.32 1.20 -1.13 1.61 7.64 -1.25 -4.85 113.62 115.52 3gr2 n SER 287 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 3gr2 n SER 287 Cb 0.00 0.24 0.29 0.00 -1.01 0.00 0.00 64.21 63.73 3gr2 n SER 287 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3gr2 n ASP 288 N -0.37 4.25 0.03 6.43 2.03 -1.19 -4.60 116.55 123.13 3gr2 n ASP 288 Ca 0.00 -2.84 0.12 0.00 0.52 0.00 0.00 54.79 52.59 3gr2 n ASP 288 Cb 0.00 -0.54 0.20 0.00 -0.72 0.00 0.00 41.12 40.06 3gr2 n ASP 288 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3gr2 n ASN 289 N -0.01 0.59 -0.87 1.67 0.23 -1.23 -4.71 115.26 110.92 3gr2 n ASN 289 Ca 0.22 -0.06 -0.08 0.00 -0.53 0.00 0.00 54.58 54.13 3gr2 n ASN 289 Cb 0.91 0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 38.85 3gr2 n ASN 289 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3gr2 n LYS 290 N -1.82 -0.62 -0.03 -3.83 4.76 -1.26 -4.39 118.16 110.96 3gr2 n LYS 290 Ca 0.04 0.42 -0.09 0.00 -2.87 0.00 0.00 58.31 55.81 3gr2 n LYS 290 Cb 0.39 -4.34 -0.14 0.00 -1.84 0.00 0.00 35.03 29.10 3gr2 n LYS 290 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gr2 n ILE 291 N -3.90 1.59 -2.55 -0.18 2.08 -1.26 -4.90 119.36 110.23 3gr2 n ILE 291 Ca -0.09 -0.80 -0.22 0.00 0.56 0.00 0.00 62.75 62.20 3gr2 n ILE 291 Cb 0.54 -0.99 0.04 0.00 -0.75 0.00 0.00 39.64 38.48 3gr2 n ILE 291 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gr2 s ALA 292 N -2.58 3.71 -0.30 -1.39 0.00 -1.26 -5.08 121.76 114.85 3gr2 s ALA 292 Ca -0.06 -1.20 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 3gr2 s ALA 292 Cb 0.08 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.96 3gr2 s ALA 292 CO 0.82 -0.85 0.18 -1.17 0.00 0.00 0.00 175.76 174.74 3gr2 s LEU 293 N -4.87 4.12 -0.15 0.00 2.96 -1.26 -5.09 118.68 114.39 3gr2 s LEU 293 Ca 0.57 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 3gr2 s LEU 293 Cb -0.10 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.52 3gr2 s LEU 293 CO 0.40 -0.14 -0.20 0.00 -1.32 0.00 0.00 176.35 175.09 3gr2 s ALA 294 N 1.70 2.32 -0.11 5.97 0.00 -1.26 -5.09 121.76 125.28 3gr2 s ALA 294 Ca 0.06 -1.12 -0.24 0.00 0.00 0.00 0.00 51.96 50.65 3gr2 s ALA 294 Cb -0.17 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3gr2 s ALA 294 CO 0.09 -0.13 0.76 0.00 0.00 0.00 0.00 175.76 176.49 3gr2 s ALA 295 N 0.96 3.41 -0.07 0.00 0.00 -1.26 -4.59 121.76 120.21 3gr2 s ALA 295 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.02 3gr2 s ALA 295 Cb -0.15 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3gr2 s ALA 295 CO -0.05 -0.36 -0.06 1.03 0.00 0.00 0.00 175.76 176.32 3gr2 s ARG 296 N 1.42 1.13 0.41 0.00 1.81 -0.83 -4.99 118.95 117.91 3gr2 s ARG 296 Ca 0.38 -0.18 -0.27 0.00 -1.72 0.00 0.00 55.73 53.95 3gr2 s ARG 296 Cb -0.17 -1.12 -0.10 0.00 -0.45 0.00 0.00 34.95 33.10 3gr2 s ARG 296 CO 0.16 -0.12 1.45 -2.14 -0.68 0.00 0.00 175.30 173.97 3gr2 s PRO 297 N 1.14 3.93 0.10 3.54 0.02 -1.26 -0.49 135.00 141.97 3gr2 s PRO 297 Ca -0.07 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.51 3gr2 s PRO 297 Cb -0.14 -2.83 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 3gr2 s PRO 297 CO -0.01 -0.65 -0.13 0.14 -0.33 0.00 0.00 177.00 176.02 3gr2 s VAL 298 N -1.16 3.15 -0.22 3.83 -7.23 -0.60 -4.69 120.40 113.49 3gr2 s VAL 298 Ca 0.56 -1.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.34 3gr2 s VAL 298 Cb -0.45 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 3gr2 s VAL 298 CO 0.60 0.15 0.09 -0.75 -0.31 0.00 0.00 175.10 174.88 3gr2 s LYS 299 N -2.06 3.91 0.26 4.82 2.20 -0.40 -4.81 119.74 123.65 3gr2 s LYS 299 Ca 0.19 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 3gr2 s LYS 299 Cb -0.11 -3.34 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 3gr2 s LYS 299 CO 0.11 0.08 1.35 0.00 -0.36 0.00 0.00 175.35 176.54 3gr2 s ALA 300 N 0.92 3.55 -0.48 3.13 0.00 -1.26 -0.99 121.76 126.63 3gr2 s ALA 300 Ca 0.05 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.08 3gr2 s ALA 300 Cb -0.14 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.55 3gr2 s ALA 300 CO 0.03 -0.63 0.43 0.42 0.00 0.00 0.00 175.76 176.00 3gr2 s ILE 301 N -0.33 5.18 -0.32 0.00 1.01 -0.74 -4.90 121.20 121.11 3gr2 s ILE 301 Ca 0.55 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3gr2 s ILE 301 Cb -0.39 -4.15 0.09 0.00 0.01 0.00 0.00 42.46 38.02 3gr2 s ILE 301 CO 0.44 -0.60 0.01 0.42 0.00 0.00 0.00 174.94 175.21 3gr2 s THR 302 N 1.79 2.36 0.72 2.92 -4.23 -1.26 -1.68 115.64 116.26 3gr2 s THR 302 Ca 0.06 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 3gr2 s THR 302 Cb -0.23 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.06 3gr2 s THR 302 CO 0.08 -0.40 1.06 -2.16 -0.54 0.00 0.00 174.62 172.65 3gr2 s PRO 303 N 1.00 2.30 0.30 3.99 0.04 -1.26 -5.09 135.00 136.28 3gr2 s PRO 303 Ca 0.04 -0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.74 3gr2 s PRO 303 Cb -0.20 -2.10 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 3gr2 s PRO 303 CO -0.06 -1.25 1.44 -2.30 0.04 0.00 0.00 177.00 174.87 3gr2 n PRO 304 N -3.00 2.34 -2.41 0.56 -0.02 -0.67 -4.95 135.00 126.85 3gr2 n PRO 304 Ca 0.07 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.96 3gr2 n PRO 304 Cb 0.60 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3gr2 n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gr2 s THR 305 N -0.43 4.11 0.84 3.45 2.01 -1.04 -4.80 115.64 119.77 3gr2 s THR 305 Ca 0.62 1.47 -0.12 0.00 0.31 0.00 0.00 61.69 63.97 3gr2 s THR 305 Cb -0.56 -3.95 0.10 0.00 0.01 0.00 0.00 72.50 68.10 3gr2 s THR 305 CO 0.54 0.04 1.18 -2.84 -0.69 0.00 0.00 174.62 172.85 3gr2 s PRO 306 N 1.86 1.48 -0.46 4.92 0.02 -1.26 -0.74 135.00 140.82 3gr2 s PRO 306 Ca 0.58 1.67 -0.43 0.00 0.02 0.00 0.00 61.00 62.85 3gr2 s PRO 306 Cb -0.27 -1.77 -0.18 0.00 0.02 0.00 0.00 34.50 32.30 3gr2 s PRO 306 CO 0.25 -2.32 1.53 0.00 -0.33 0.00 0.00 177.00 176.13 3gr2 n ALA 307 N -3.58 -1.06 -2.64 -1.55 0.00 -1.25 -4.73 120.51 105.70 3gr2 n ALA 307 Ca 0.13 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.59 3gr2 n ALA 307 Cb 0.51 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.12 3gr2 n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gr2 s VAL 308 N 3.10 5.00 0.19 0.00 1.01 -1.26 -4.98 120.40 123.46 3gr2 s VAL 308 Ca 0.98 1.14 -0.12 0.00 0.00 0.00 0.00 61.98 63.98 3gr2 s VAL 308 Cb -1.37 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 31.19 3gr2 s VAL 308 CO 0.73 0.05 1.85 0.03 0.00 0.00 0.00 175.10 177.76 3gr2 h ARG 309 N 7.77 0.87 -3.02 2.72 2.47 -1.97 -3.19 114.38 120.03 3gr2 h ARG 309 Ca -0.28 -0.07 -0.68 0.00 -1.26 0.00 0.00 59.98 57.69 3gr2 h ARG 309 Cb 1.13 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 29.27 3gr2 h ARG 309 CO 0.77 0.60 3.65 0.00 0.56 0.00 0.00 179.97 185.55 3gr2 n ALA 310 N -2.29 7.37 -2.58 0.04 0.00 -1.26 -1.26 120.51 120.52 3gr2 n ALA 310 Ca 0.05 -3.62 -0.22 0.00 0.00 0.00 0.00 53.44 49.65 3gr2 n ALA 310 Cb 0.04 -3.32 -0.13 0.00 0.00 0.00 0.00 19.45 16.04 3gr2 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gr2 s SER 311 N 2.01 2.25 -0.47 0.00 0.01 -1.21 -0.56 113.70 115.73 3gr2 s SER 311 Ca 0.67 -0.63 -0.21 0.00 1.31 0.00 0.00 55.95 57.08 3gr2 s SER 311 Cb 0.18 -0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.32 3gr2 s SER 311 CO -0.07 0.03 0.70 0.86 0.41 0.00 0.00 173.24 175.18 3gr2 s TRP 312 N -1.13 3.01 -0.19 2.43 -0.11 0.74 -4.07 118.94 119.63 3gr2 s TRP 312 Ca 0.04 -0.15 -0.06 0.00 1.22 0.00 0.00 56.10 57.15 3gr2 s TRP 312 Cb -0.10 -3.54 -0.03 0.00 -1.50 0.00 0.00 33.47 28.30 3gr2 s TRP 312 CO 0.03 -0.99 0.03 0.08 -4.62 0.00 0.00 176.95 171.48 3gr2 s VAL 313 N 2.99 4.40 0.19 5.86 1.01 -0.06 -1.36 120.40 133.43 3gr2 s VAL 313 Ca 0.23 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3gr2 s VAL 313 Cb -0.15 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 3gr2 s VAL 313 CO 0.18 0.44 0.44 -1.38 0.00 0.00 0.00 175.10 174.78 3gr2 s HIS 314 N 0.66 0.08 -0.21 5.22 -0.00 -0.23 -0.12 115.29 120.69 3gr2 s HIS 314 Ca 0.02 -0.44 -0.14 0.00 -0.00 0.00 0.00 55.06 54.50 3gr2 s HIS 314 Cb -0.14 0.23 0.06 0.00 -0.00 0.00 0.00 32.58 32.74 3gr2 s HIS 314 CO 0.02 -0.86 0.53 0.21 -0.00 0.00 0.00 174.74 174.65 3gr2 s LYS 315 N -3.91 0.55 0.26 -0.38 2.47 -0.38 -2.03 119.74 116.31 3gr2 s LYS 315 Ca 0.13 0.93 -0.02 0.00 -1.56 0.00 0.00 55.97 55.44 3gr2 s LYS 315 Cb 0.00 0.11 -0.05 0.00 -1.46 0.00 0.00 37.83 36.44 3gr2 s LYS 315 CO -0.01 -0.14 0.48 -0.08 0.16 0.00 0.00 175.35 175.76 3gr2 s THR 316 N 1.22 5.11 -0.13 3.43 -1.32 -1.26 -1.88 115.64 120.82 3gr2 s THR 316 Ca -0.07 -0.19 -0.14 0.00 -1.21 0.00 0.00 61.69 60.08 3gr2 s THR 316 Cb -0.06 -3.75 0.04 0.00 -1.51 0.00 0.00 72.50 67.22 3gr2 s THR 316 CO -0.12 -0.28 0.38 -0.83 -2.21 0.00 0.00 174.62 171.55 3gr2 s GLY 317 N -3.26 -0.27 -0.03 6.08 0.00 -0.36 -3.68 107.32 105.79 3gr2 s GLY 317 Ca 0.41 0.99 -0.10 0.00 0.00 0.00 0.00 44.72 46.02 3gr2 s GLY 317 CO 0.30 0.83 0.23 0.00 0.00 0.00 0.00 173.10 174.46 3gr2 s ALA 318 N 0.00 -0.56 0.48 3.20 0.00 -1.26 -0.13 121.76 123.50 3gr2 s ALA 318 Ca -0.02 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3gr2 s ALA 318 Cb -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3gr2 s ALA 318 CO 0.01 -0.20 0.04 0.95 0.00 0.00 0.00 175.76 176.56 3gr2 s THR 319 N -0.98 0.97 0.43 0.00 -4.23 -0.72 -4.02 115.64 107.09 3gr2 s THR 319 Ca -0.11 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.62 3gr2 s THR 319 Cb -0.05 -2.21 0.42 0.00 1.34 0.00 0.00 72.50 71.99 3gr2 s THR 319 CO 0.02 0.00 1.79 1.23 -0.54 0.00 0.00 174.62 177.13 3gr2 h GLY 320 N 1.48 0.92 -0.34 3.99 0.00 -1.98 -2.81 103.07 104.34 3gr2 h GLY 320 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.76 3gr2 h GLY 320 CO 0.68 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.74 3gr2 n GLY 321 N -1.54 -0.39 3.10 4.60 0.00 -1.26 -4.49 105.19 105.20 3gr2 n GLY 321 Ca 0.24 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 3gr2 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gr2 s PHE 322 N -0.44 0.85 -0.07 1.61 0.40 -1.06 -2.26 117.98 116.99 3gr2 s PHE 322 Ca 0.05 -0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 3gr2 s PHE 322 Cb 0.03 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 43.10 3gr2 s PHE 322 CO 0.05 -0.04 -0.01 0.20 0.70 0.00 0.00 175.22 176.12 3gr2 s GLY 323 N -1.59 0.51 0.18 4.36 0.00 -0.49 -1.75 107.32 108.53 3gr2 s GLY 323 Ca -0.07 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.57 3gr2 s GLY 323 CO 0.01 1.03 -0.17 -1.35 0.00 0.00 0.00 173.10 172.63 3gr2 s SER 324 N 1.83 2.64 -0.20 1.64 1.04 0.82 -1.28 113.70 120.20 3gr2 s SER 324 Ca 0.03 -0.91 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 3gr2 s SER 324 Cb -0.12 -0.15 0.06 0.00 0.10 0.00 0.00 66.02 65.90 3gr2 s SER 324 CO -0.05 -0.08 0.53 -0.47 0.98 0.00 0.00 173.24 174.15 3gr2 s TYR 325 N -2.33 -0.64 -0.04 5.02 5.04 -0.21 -1.23 117.35 122.96 3gr2 s TYR 325 Ca 0.18 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.30 3gr2 s TYR 325 Cb -0.04 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.54 3gr2 s TYR 325 CO 0.07 -0.32 -0.06 0.08 -1.34 0.00 0.00 175.55 173.97 3gr2 s VAL 326 N 0.65 0.64 -0.03 3.14 1.01 -0.79 -0.64 120.40 124.38 3gr2 s VAL 326 Ca -0.03 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.66 3gr2 s VAL 326 Cb -0.05 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.72 3gr2 s VAL 326 CO -0.04 0.23 0.15 0.00 0.00 0.00 0.00 175.10 175.44 3gr2 s ALA 327 N 0.60 -0.36 0.08 5.51 0.00 -0.80 -1.25 121.76 125.54 3gr2 s ALA 327 Ca -0.09 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 3gr2 s ALA 327 Cb -0.12 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.95 3gr2 s ALA 327 CO 0.01 -0.14 0.34 -0.59 0.00 0.00 0.00 175.76 175.37 3gr2 s PHE 328 N -0.67 -0.13 -0.36 0.00 -0.71 0.83 -0.74 117.98 116.20 3gr2 s PHE 328 Ca -0.08 -0.11 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 3gr2 s PHE 328 Cb -0.04 0.16 0.11 0.00 -1.21 0.00 0.00 43.02 42.03 3gr2 s PHE 328 CO 0.01 -0.60 0.11 0.42 -1.34 0.00 0.00 175.22 173.82 3gr2 s ILE 329 N -3.25 1.73 0.26 -4.49 1.01 0.65 -0.88 121.20 116.22 3gr2 s ILE 329 Ca -0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 60.65 58.48 3gr2 s ILE 329 Cb 0.01 -2.27 0.25 0.00 0.01 0.00 0.00 42.46 40.46 3gr2 s ILE 329 CO -0.08 -0.68 1.71 -0.65 0.00 0.00 0.00 174.94 175.24 3gr2 h PRO 330 N 7.55 0.38 0.00 2.79 0.11 -1.70 -1.44 132.00 139.70 3gr2 h PRO 330 Ca -0.07 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 3gr2 h PRO 330 Cb 0.99 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3gr2 h PRO 330 CO 0.52 0.25 -0.13 1.49 -0.21 0.00 0.00 178.00 179.91 3gr2 h GLU 331 N 0.39 0.00 -0.02 1.05 4.57 -1.50 -2.59 114.58 116.48 3gr2 h GLU 331 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 3gr2 h GLU 331 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 3gr2 h GLU 331 CO -0.47 0.13 -0.23 1.63 -1.18 0.00 0.00 179.01 178.89 3gr2 n LYS 332 N -3.69 1.78 -3.80 1.92 5.02 -0.58 -4.97 118.16 113.84 3gr2 n LYS 332 Ca -0.02 -1.47 -0.28 0.00 -2.02 0.00 0.00 58.31 54.52 3gr2 n LYS 332 Cb 0.25 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 3gr2 n LYS 332 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gr2 n GLU 333 N 0.68 -6.45 -4.61 1.97 1.02 -0.94 -4.60 120.64 107.71 3gr2 n GLU 333 Ca 0.12 0.68 -0.23 0.00 -0.02 0.00 0.00 57.16 57.71 3gr2 n GLU 333 Cb 0.53 -5.64 -0.16 0.00 -0.02 0.00 0.00 31.44 26.15 3gr2 n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gr2 s LEU 334 N -7.30 1.87 0.23 -4.62 2.96 -1.15 -2.66 118.68 108.02 3gr2 s LEU 334 Ca 0.64 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 54.07 3gr2 s LEU 334 Cb -0.31 -0.75 0.04 0.00 0.50 0.00 0.00 46.19 45.68 3gr2 s LEU 334 CO 0.79 0.12 0.65 -0.83 -1.32 0.00 0.00 176.35 175.76 3gr2 s GLY 335 N 0.05 -0.28 -0.05 7.98 0.00 -0.23 -0.26 107.32 114.53 3gr2 s GLY 335 Ca -0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 3gr2 s GLY 335 CO 0.01 -0.02 0.22 -1.50 0.00 0.00 0.00 173.10 171.81 3gr2 s ILE 336 N -3.85 0.04 -0.06 0.90 2.07 0.08 -0.13 121.20 120.24 3gr2 s ILE 336 Ca 0.07 -0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 3gr2 s ILE 336 Cb -0.04 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.15 3gr2 s ILE 336 CO -0.02 -0.17 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.04 3gr2 s VAL 337 N -0.62 1.13 -0.19 4.00 1.01 -0.01 -1.90 120.40 123.80 3gr2 s VAL 337 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3gr2 s VAL 337 Cb -0.04 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.35 3gr2 s VAL 337 CO 0.01 0.35 -0.09 -0.04 0.00 0.00 0.00 175.10 175.33 3gr2 s MET 338 N 0.63 1.92 -0.17 2.72 -1.94 0.19 -1.27 119.30 121.39 3gr2 s MET 338 Ca -0.14 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 3gr2 s MET 338 Cb -0.15 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.35 3gr2 s MET 338 CO 0.04 -0.43 -0.19 -0.51 -0.01 0.00 0.00 175.02 173.91 3gr2 s LEU 339 N 1.44 2.21 0.05 -0.03 1.43 -0.05 -1.04 118.68 122.68 3gr2 s LEU 339 Ca -0.01 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3gr2 s LEU 339 Cb -0.16 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3gr2 s LEU 339 CO -0.08 0.03 -0.14 0.00 0.23 0.00 0.00 176.35 176.40 3gr2 s ALA 340 N 1.10 1.14 -0.54 4.21 0.00 -0.40 -0.89 121.76 126.37 3gr2 s ALA 340 Ca 0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3gr2 s ALA 340 Cb -0.14 -0.15 0.32 0.00 0.00 0.00 0.00 23.12 23.14 3gr2 s ALA 340 CO -0.07 0.20 2.10 0.27 0.00 0.00 0.00 175.76 178.26 3gr2 n ASN 341 N 1.76 7.14 -3.78 0.00 6.94 -1.03 -1.40 115.26 124.89 3gr2 n ASN 341 Ca -0.19 -3.48 -0.13 0.00 -0.02 0.00 0.00 54.58 50.76 3gr2 n ASN 341 Cb 0.55 -1.04 -0.12 0.00 -2.36 0.00 0.00 39.78 36.80 3gr2 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3gr2 s LYS 342 N -2.94 0.26 -0.70 -3.83 2.20 -0.96 -1.63 119.74 112.14 3gr2 s LYS 342 Ca 0.51 0.37 -0.27 0.00 -0.36 0.00 0.00 55.97 56.22 3gr2 s LYS 342 Cb 0.40 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 3gr2 s LYS 342 CO -0.07 -0.06 1.48 1.21 -0.36 0.00 0.00 175.35 177.55 3gr2 s ASN 343 N 0.38 5.86 0.23 1.43 2.47 -1.25 -2.26 114.94 121.80 3gr2 s ASN 343 Ca -0.02 -0.19 0.10 0.00 0.42 0.00 0.00 52.86 53.17 3gr2 s ASN 343 Cb -0.04 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.17 3gr2 s ASN 343 CO -0.02 -2.02 -0.12 -0.72 -3.72 0.00 0.00 177.10 170.50 3gr2 s TYR 344 N 6.87 2.51 0.27 0.43 -0.85 -1.26 -4.97 117.35 120.36 3gr2 s TYR 344 Ca 0.46 -0.27 -0.30 0.00 -0.52 0.00 0.00 57.07 56.44 3gr2 s TYR 344 Cb -0.10 -1.16 -0.13 0.00 0.38 0.00 0.00 41.96 40.95 3gr2 s TYR 344 CO 0.17 0.60 1.33 -2.30 -1.52 0.00 0.00 175.55 173.83 3gr2 n PRO 345 N -0.38 1.99 -0.21 -3.49 -0.02 -1.26 -4.89 135.00 126.74 3gr2 n PRO 345 Ca -0.08 0.70 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 3gr2 n PRO 345 Cb 0.58 -2.31 0.13 0.00 -0.02 0.00 0.00 33.50 31.87 3gr2 n PRO 345 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3gr2 h ASN 346 N 3.51 0.06 -0.87 2.55 -1.24 -1.93 -2.60 115.58 115.06 3gr2 h ASN 346 Ca -0.45 0.11 0.14 0.00 0.71 0.00 0.00 56.30 56.81 3gr2 h ASN 346 Cb 1.28 0.14 -0.07 0.00 0.73 0.00 0.00 38.32 40.41 3gr2 h ASN 346 CO 0.70 0.03 0.56 -0.65 -1.29 0.00 0.00 177.43 176.78 3gr2 h PRO 347 N 0.30 0.65 -0.69 6.67 0.11 -1.81 -1.00 132.00 136.23 3gr2 h PRO 347 Ca 0.34 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 3gr2 h PRO 347 Cb 0.50 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3gr2 h PRO 347 CO -0.41 0.43 0.18 0.00 -0.21 0.00 0.00 178.00 177.99 3gr2 h ALA 348 N 1.60 1.00 0.41 -0.75 0.00 -1.83 -0.77 119.26 118.93 3gr2 h ALA 348 Ca 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gr2 h ALA 348 Cb 0.70 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gr2 h ALA 348 CO -0.19 0.65 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 3gr2 h ARG 349 N 1.04 -0.53 -0.65 0.00 3.08 -1.18 -2.36 114.38 113.78 3gr2 h ARG 349 Ca 0.22 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3gr2 h ARG 349 Cb 0.35 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3gr2 h ARG 349 CO -0.00 -0.35 0.39 0.28 -1.07 0.00 0.00 179.97 179.22 3gr2 h VAL 350 N -0.55 1.19 -0.05 2.04 2.07 -1.21 -1.17 116.25 118.58 3gr2 h VAL 350 Ca -0.06 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3gr2 h VAL 350 Cb 0.42 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3gr2 h VAL 350 CO 0.09 0.20 -0.07 -0.78 0.02 0.00 0.00 177.57 177.03 3gr2 h ASP 351 N 0.88 -0.22 -0.38 0.57 -0.00 -1.14 0.36 116.42 116.50 3gr2 h ASP 351 Ca 0.23 0.04 -0.01 0.00 -0.00 0.00 0.00 57.03 57.30 3gr2 h ASP 351 Cb -0.02 0.11 -0.02 0.00 -0.00 0.00 0.00 39.33 39.40 3gr2 h ASP 351 CO -0.04 -0.11 0.22 0.00 -0.00 0.00 0.00 179.24 179.31 3gr2 h ALA 352 N 0.93 0.49 -0.38 -0.78 0.00 -1.20 -0.01 119.26 118.30 3gr2 h ALA 352 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gr2 h ALA 352 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3gr2 h ALA 352 CO -0.11 0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.37 3gr2 h ALA 353 N 1.08 0.49 -0.11 0.00 0.00 -1.03 -1.43 119.26 118.25 3gr2 h ALA 353 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gr2 h ALA 353 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gr2 h ALA 353 CO -0.02 -0.02 0.07 2.35 0.00 0.00 0.00 179.25 181.62 3gr2 h TRP 354 N 0.50 0.14 -0.75 0.00 7.01 -0.75 -0.40 115.95 121.71 3gr2 h TRP 354 Ca 0.14 -0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.27 3gr2 h TRP 354 Cb -0.00 -0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 26.92 3gr2 h TRP 354 CO -0.04 0.14 0.31 0.37 -2.79 0.00 0.00 178.44 176.43 3gr2 h GLN 355 N 0.11 0.46 0.10 2.65 5.75 -0.77 0.23 115.11 123.64 3gr2 h GLN 355 Ca 0.04 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3gr2 h GLN 355 Cb 0.03 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.48 3gr2 h GLN 355 CO -0.01 0.31 -0.05 0.82 -2.65 0.00 0.00 178.83 177.25 3gr2 h ILE 356 N 0.48 1.12 -0.57 2.39 2.04 -1.04 -3.06 117.51 118.88 3gr2 h ILE 356 Ca 0.40 -1.17 -0.11 0.00 1.00 0.00 0.00 64.86 64.98 3gr2 h ILE 356 Cb 0.58 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3gr2 h ILE 356 CO -0.38 0.27 -0.08 -0.07 0.00 0.00 0.00 178.15 177.90 3gr2 h LEU 357 N -0.71 1.05 -0.81 1.44 3.38 -0.82 -2.77 115.31 116.07 3gr2 h LEU 357 Ca -0.01 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.66 3gr2 h LEU 357 Cb 0.55 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3gr2 h LEU 357 CO 0.02 1.14 0.51 -1.13 0.09 0.00 0.00 178.44 179.07 3gr2 h ASN 358 N 0.94 0.82 0.22 -0.43 -1.24 -0.68 0.02 115.58 115.23 3gr2 h ASN 358 Ca 0.15 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 3gr2 h ASN 358 Cb 0.65 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 3gr2 h ASN 358 CO 0.04 0.54 -0.26 0.00 -1.29 0.00 0.00 177.43 176.47 3gr2 h ALA 359 N 1.37 1.48 0.00 1.57 0.00 -1.40 -3.16 119.26 119.12 3gr2 h ALA 359 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gr2 h ALA 359 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gr2 h ALA 359 CO -0.14 0.38 -1.28 1.28 0.00 0.00 0.00 179.25 179.48 3gr2 n LEU 360 N -4.20 0.54 0.00 0.00 4.77 -0.88 -5.13 117.00 112.11 3gr2 n LEU 360 Ca -0.02 0.13 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3gr2 n LEU 360 Cb 0.33 -0.06 0.72 0.00 -2.33 0.00 0.00 43.42 42.09 3gr2 n LEU 360 CO 0.38 -0.06 0.90 0.00 -1.33 0.00 0.00 177.39 177.28