#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 1.45 -0.35 0.00 -0.02 -1.26 -4.76 135.00 130.06 3gr2 n PRO 5 Ca 0.00 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.07 3gr2 n PRO 5 Cb 0.00 -2.05 0.25 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.73 0.85 -0.20 -0.52 -0.00 -2.05 -1.16 115.11 113.77 3gr2 h GLN 6 Ca -0.44 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.12 3gr2 h GLN 6 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 28.61 3gr2 h GLN 6 CO 0.58 0.57 -0.04 -0.56 0.00 0.00 0.00 178.83 179.38 3gr2 h GLN 7 N 0.88 0.30 0.07 1.69 -0.00 -2.00 -0.86 115.11 115.20 3gr2 h GLN 7 Ca 0.50 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 59.09 3gr2 h GLN 7 Cb 0.58 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 3gr2 h GLN 7 CO -0.30 0.36 -0.03 0.82 -0.00 0.00 0.00 178.83 179.68 3gr2 h ILE 8 N 0.29 1.22 -0.72 1.86 2.04 -1.58 -2.78 117.51 117.85 3gr2 h ILE 8 Ca 0.07 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.79 3gr2 h ILE 8 Cb 0.26 2.00 -0.08 0.00 -0.74 0.00 0.00 36.82 38.27 3gr2 h ILE 8 CO 0.01 0.30 0.34 0.78 0.00 0.00 0.00 178.15 179.58 3gr2 h ASN 9 N -0.68 0.42 0.41 1.72 2.35 -1.31 -1.69 115.58 116.81 3gr2 h ASN 9 Ca -0.01 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3gr2 h ASN 9 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 3gr2 h ASN 9 CO 0.02 0.23 -0.20 -0.78 -1.65 0.00 0.00 177.43 175.05 3gr2 h ASP 10 N 0.57 -0.47 -0.24 5.81 3.58 -1.22 -1.43 116.42 123.02 3gr2 h ASP 10 Ca 0.36 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.67 3gr2 h ASP 10 Cb 0.42 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 3gr2 h ASP 10 CO -0.30 -0.23 -0.13 -0.29 -2.88 0.00 0.00 179.24 175.42 3gr2 h ILE 11 N -0.69 1.25 -0.04 2.25 6.09 -1.40 -1.05 117.51 123.93 3gr2 h ILE 11 Ca -0.06 -1.12 -0.01 0.00 -1.37 0.00 0.00 64.86 62.31 3gr2 h ILE 11 Cb 0.50 1.11 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 3gr2 h ILE 11 CO 0.09 0.37 -0.00 0.58 -3.07 0.00 0.00 178.15 176.13 3gr2 h VAL 12 N 0.59 1.25 -0.72 2.19 2.07 -1.30 -1.46 116.25 118.88 3gr2 h VAL 12 Ca 0.10 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 3gr2 h VAL 12 Cb 0.56 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3gr2 h VAL 12 CO 0.04 0.21 0.45 -0.74 0.02 0.00 0.00 177.57 177.54 3gr2 h HIS 13 N -0.24 0.93 0.00 1.57 -0.00 -1.17 0.30 115.15 116.54 3gr2 h HIS 13 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.33 3gr2 h HIS 13 Cb 0.33 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 3gr2 h HIS 13 CO 0.03 0.62 -0.26 0.00 -0.00 0.00 0.00 177.93 178.32 3gr2 h ARG 14 N 0.98 0.00 0.00 5.26 3.08 -1.16 -3.13 114.38 119.40 3gr2 h ARG 14 Ca 0.26 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.03 3gr2 h ARG 14 Cb -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3gr2 h ARG 14 CO -0.05 0.26 -1.91 2.41 -1.07 0.00 0.00 179.97 179.61 3gr2 n THR 15 N -3.67 1.51 0.02 2.04 -1.04 -0.55 -4.55 114.28 108.03 3gr2 n THR 15 Ca -0.01 -0.17 -0.18 0.00 -2.04 0.00 0.00 64.05 61.64 3gr2 n THR 15 Cb 0.37 -2.07 -0.12 0.00 -1.82 0.00 0.00 70.33 66.70 3gr2 n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3gr2 h ILE 16 N -0.99 1.41 -0.17 12.58 1.08 -0.58 -2.96 117.51 127.88 3gr2 h ILE 16 Ca -0.42 -2.18 0.04 0.00 -0.39 0.00 0.00 64.86 61.91 3gr2 h ILE 16 Cb 1.36 2.66 -0.04 0.00 -3.07 0.00 0.00 36.82 37.74 3gr2 h ILE 16 CO -0.25 0.64 -0.06 0.74 -0.69 0.00 0.00 178.15 178.53 3gr2 h THR 17 N -0.06 0.78 -0.65 -0.27 2.02 -1.62 -0.50 112.91 112.61 3gr2 h THR 17 Ca -0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3gr2 h THR 17 Cb 1.44 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3gr2 h THR 17 CO 0.14 0.00 0.30 -0.65 0.37 0.00 0.00 175.52 175.68 3gr2 h PRO 18 N -0.03 0.92 -0.49 6.66 0.11 -1.74 -2.79 132.00 134.65 3gr2 h PRO 18 Ca 0.09 -0.13 0.07 0.00 0.11 0.00 0.00 66.00 66.15 3gr2 h PRO 18 Cb 0.16 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.04 3gr2 h PRO 18 CO -0.20 0.72 0.14 1.25 -0.21 0.00 0.00 178.00 179.71 3gr2 h LEU 19 N 0.92 0.10 -0.63 2.35 5.85 -1.18 0.12 115.31 122.84 3gr2 h LEU 19 Ca 0.22 0.07 0.04 0.00 0.84 0.00 0.00 57.88 59.05 3gr2 h LEU 19 Cb 0.11 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gr2 h LEU 19 CO -0.03 0.08 0.38 0.40 -0.34 0.00 0.00 178.44 178.93 3gr2 h ILE 20 N 0.30 1.05 -0.17 4.05 2.04 -0.97 0.31 117.51 124.11 3gr2 h ILE 20 Ca 0.24 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3gr2 h ILE 20 Cb 0.28 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3gr2 h ILE 20 CO -0.27 0.13 0.05 -0.33 0.00 0.00 0.00 178.15 177.73 3gr2 h GLU 21 N 0.73 0.26 -0.76 2.37 4.39 -1.15 -0.70 114.58 119.72 3gr2 h GLU 21 Ca 0.26 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3gr2 h GLU 21 Cb 0.07 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3gr2 h GLU 21 CO -0.12 0.37 0.42 1.96 -1.16 0.00 0.00 179.01 180.48 3gr2 h GLN 22 N 0.09 1.05 -0.01 2.33 4.20 -0.43 -3.04 115.11 119.30 3gr2 h GLN 22 Ca 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3gr2 h GLN 22 Cb 0.22 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3gr2 h GLN 22 CO -0.00 0.77 -0.44 1.04 -0.67 0.00 0.00 178.83 179.52 3gr2 n GLN 23 N -4.36 1.07 -3.53 1.46 1.13 0.07 -4.98 117.38 108.23 3gr2 n GLN 23 Ca 0.08 -0.83 -0.19 0.00 -1.94 0.00 0.00 57.00 54.11 3gr2 n GLN 23 Cb 0.10 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.04 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 -0.24 -6.27 -2.79 -1.09 5.02 -0.35 -4.96 118.16 107.49 3gr2 n LYS 24 Ca 0.10 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.74 3gr2 n LYS 24 Cb 0.43 -5.68 -0.03 0.00 -0.02 0.00 0.00 35.03 29.73 3gr2 n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gr2 s ILE 25 N -3.44 4.77 0.16 -0.18 1.01 -0.74 -4.97 121.20 117.82 3gr2 s ILE 25 Ca 0.08 1.77 -0.13 0.00 0.00 0.00 0.00 60.65 62.37 3gr2 s ILE 25 Cb -0.04 -4.20 0.06 0.00 0.01 0.00 0.00 42.46 38.29 3gr2 s ILE 25 CO 0.75 -0.12 1.75 -0.65 0.00 0.00 0.00 174.94 176.67 3gr2 h PRO 26 N 7.57 0.77 -2.97 2.79 0.11 -1.88 -3.46 132.00 134.93 3gr2 h PRO 26 Ca -0.21 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 65.66 3gr2 h PRO 26 Cb 1.08 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.84 3gr2 h PRO 26 CO 0.92 0.64 -0.27 0.20 -0.21 0.00 0.00 178.00 179.28 3gr2 s GLY 27 N -2.97 -0.19 -0.14 -0.55 0.00 -1.18 -0.86 107.32 101.43 3gr2 s GLY 27 Ca -0.13 0.50 -0.14 0.00 0.00 0.00 0.00 44.72 44.95 3gr2 s GLY 27 CO 0.77 0.30 0.38 -0.29 0.00 0.00 0.00 173.10 174.27 3gr2 s MET 28 N -0.99 0.47 0.01 2.90 1.75 -0.68 -2.37 119.30 120.38 3gr2 s MET 28 Ca -0.11 0.49 0.06 0.00 -1.25 0.00 0.00 55.69 54.88 3gr2 s MET 28 Cb -0.04 0.23 -0.02 0.00 2.84 0.00 0.00 34.83 37.84 3gr2 s MET 28 CO 0.04 -0.06 -0.18 0.00 -0.65 0.00 0.00 175.02 174.16 3gr2 s ALA 29 N 0.10 1.48 -0.02 4.11 0.00 -0.31 -1.12 121.76 126.00 3gr2 s ALA 29 Ca -0.01 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3gr2 s ALA 29 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3gr2 s ALA 29 CO 0.01 0.35 -0.08 0.08 0.00 0.00 0.00 175.76 176.12 3gr2 s VAL 30 N -0.55 0.69 -0.07 0.00 1.01 -0.17 -0.97 120.40 120.34 3gr2 s VAL 30 Ca 0.06 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3gr2 s VAL 30 Cb -0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 3gr2 s VAL 30 CO 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 175.10 175.10 3gr2 s ALA 31 N 0.09 2.32 -0.17 5.51 0.00 -0.41 -1.15 121.76 127.96 3gr2 s ALA 31 Ca -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3gr2 s ALA 31 Cb -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 3gr2 s ALA 31 CO 0.00 0.39 -0.09 0.08 0.00 0.00 0.00 175.76 176.14 3gr2 s VAL 32 N -0.10 3.15 -0.34 0.00 1.01 0.14 -1.02 120.40 123.24 3gr2 s VAL 32 Ca -0.04 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3gr2 s VAL 32 Cb -0.14 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3gr2 s VAL 32 CO 0.04 0.48 0.34 -0.63 0.00 0.00 0.00 175.10 175.33 3gr2 s ILE 33 N 0.89 5.19 -0.09 2.22 -1.09 0.70 -0.84 121.20 128.18 3gr2 s ILE 33 Ca -0.02 0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 3gr2 s ILE 33 Cb -0.15 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3gr2 s ILE 33 CO 0.00 -0.07 -0.11 -0.47 -1.23 0.00 0.00 174.94 173.07 3gr2 s TYR 34 N 1.96 1.52 -1.64 3.97 5.04 0.87 -1.03 117.35 128.04 3gr2 s TYR 34 Ca 0.11 -0.67 -0.14 0.00 -2.44 0.00 0.00 57.07 53.93 3gr2 s TYR 34 Cb -0.17 -1.18 0.12 0.00 0.35 0.00 0.00 41.96 41.09 3gr2 s TYR 34 CO 0.11 -0.40 0.66 1.04 -1.34 0.00 0.00 175.55 175.63 3gr2 n GLN 35 N 4.34 -2.98 -0.24 4.97 6.02 -1.05 -1.08 117.38 127.35 3gr2 n GLN 35 Ca -0.18 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3gr2 n GLN 35 Cb 0.51 -4.89 0.00 0.00 1.02 0.00 0.00 30.24 26.88 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 -1.57 2.18 3.77 1.08 0.00 -0.79 -5.01 105.19 104.84 3gr2 n GLY 36 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.03 3.16 0.15 1.61 1.02 -0.24 -4.99 119.74 120.42 3gr2 s LYS 37 Ca 0.00 -0.33 -0.19 0.00 0.02 0.00 0.00 55.97 55.47 3gr2 s LYS 37 Cb 0.00 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3gr2 s LYS 37 CO 0.00 0.72 0.64 -1.25 -0.92 0.00 0.00 175.35 174.54 3gr2 s PRO 38 N -1.12 4.22 -0.03 -1.68 0.04 -1.26 -0.09 135.00 135.09 3gr2 s PRO 38 Ca 0.16 0.78 0.01 0.00 0.04 0.00 0.00 61.00 61.99 3gr2 s PRO 38 Cb -0.12 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.38 3gr2 s PRO 38 CO 0.05 0.52 -0.04 0.71 0.04 0.00 0.00 177.00 178.28 3gr2 s TYR 39 N -1.33 0.57 0.08 0.56 1.51 -0.02 -4.97 117.35 113.76 3gr2 s TYR 39 Ca 0.36 -0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 3gr2 s TYR 39 Cb -0.18 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.15 3gr2 s TYR 39 CO 0.21 -0.11 -0.15 0.71 -1.11 0.00 0.00 175.55 175.10 3gr2 s TYR 40 N 0.53 2.62 -0.05 2.71 2.02 -1.26 -0.69 117.35 123.23 3gr2 s TYR 40 Ca -0.06 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 3gr2 s TYR 40 Cb -0.10 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3gr2 s TYR 40 CO -0.00 0.35 0.11 -0.06 -1.57 0.00 0.00 175.55 174.38 3gr2 s PHE 41 N -1.08 -0.12 0.06 2.71 0.40 -0.30 -5.01 117.98 114.64 3gr2 s PHE 41 Ca 0.18 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.89 3gr2 s PHE 41 Cb -0.11 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.36 3gr2 s PHE 41 CO 0.09 -0.10 -0.10 0.95 0.70 0.00 0.00 175.22 176.76 3gr2 s THR 42 N 0.60 0.78 -0.01 0.64 -4.23 -1.26 -1.00 115.64 111.16 3gr2 s THR 42 Ca -0.05 -1.22 -0.05 0.00 -1.18 0.00 0.00 61.69 59.19 3gr2 s THR 42 Cb -0.06 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.93 3gr2 s THR 42 CO -0.03 -0.35 0.11 0.26 -0.54 0.00 0.00 174.62 174.07 3gr2 s TRP 43 N -1.48 0.01 0.00 3.99 0.51 -0.28 -5.01 118.94 116.68 3gr2 s TRP 43 Ca -0.05 -0.01 0.00 0.00 -2.12 0.00 0.00 56.10 53.91 3gr2 s TRP 43 Cb -0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 33.47 32.54 3gr2 s TRP 43 CO 0.01 -0.20 0.00 0.41 -0.51 0.00 0.00 176.95 176.66 3gr2 n GLY 44 N 2.03 0.42 3.44 0.98 0.00 -1.26 -1.69 105.19 109.12 3gr2 n GLY 44 Ca -0.19 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 2.72 0.13 1.61 4.12 -0.04 -1.89 117.35 124.00 3gr2 s TYR 45 Ca 0.00 -0.31 -0.07 0.00 0.02 0.00 0.00 57.07 56.71 3gr2 s TYR 45 Cb 0.00 -1.69 -0.08 0.00 -1.52 0.00 0.00 41.96 38.67 3gr2 s TYR 45 CO 0.00 0.07 1.33 0.00 0.02 0.00 0.00 175.55 176.97 3gr2 h ALA 46 N 5.74 0.39 -3.34 3.71 0.00 -0.75 -3.12 119.26 121.89 3gr2 h ALA 46 Ca -0.40 -0.64 -0.53 0.00 0.00 0.00 0.00 54.91 53.33 3gr2 h ALA 46 Cb 1.17 -0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.54 3gr2 h ALA 46 CO 0.52 0.74 -0.77 0.34 0.00 0.00 0.00 179.25 180.08 3gr2 s ASP 47 N -7.08 3.07 0.02 0.00 -1.08 -1.09 -1.44 116.67 109.07 3gr2 s ASP 47 Ca -0.08 -0.88 -0.25 0.00 -0.52 0.00 0.00 52.55 50.82 3gr2 s ASP 47 Cb 0.09 -0.70 -0.18 0.00 -1.46 0.00 0.00 42.92 40.68 3gr2 s ASP 47 CO 0.88 -0.29 1.42 0.40 0.52 0.00 0.00 175.17 178.09 3gr2 h ILE 48 N 6.54 1.09 -0.77 4.11 2.04 -1.86 -0.11 117.51 128.55 3gr2 h ILE 48 Ca -0.16 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3gr2 h ILE 48 Cb 1.11 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 3gr2 h ILE 48 CO 0.35 0.16 0.43 0.00 0.00 0.00 0.00 178.15 179.09 3gr2 h ALA 49 N 0.48 0.99 -0.00 1.87 0.00 -1.98 -1.96 119.26 118.66 3gr2 h ALA 49 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gr2 h ALA 49 Cb 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3gr2 h ALA 49 CO 0.02 0.50 -0.08 1.63 0.00 0.00 0.00 179.25 181.32 3gr2 n LYS 50 N -4.44 0.10 -4.00 0.00 5.02 -1.21 -4.93 118.16 108.70 3gr2 n LYS 50 Ca 0.07 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 3gr2 n LYS 50 Cb 0.09 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.44 -4.19 -2.99 1.97 5.02 -0.14 -4.95 118.16 111.44 3gr2 n LYS 51 Ca 0.08 0.48 -0.41 0.00 -2.02 0.00 0.00 58.31 56.45 3gr2 n LYS 51 Cb 0.32 -5.10 -0.05 0.00 -0.02 0.00 0.00 35.03 30.18 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 -6.63 4.23 0.56 1.97 -1.52 -0.66 -4.99 119.66 112.62 3gr2 s GLN 52 Ca 0.45 0.82 -0.17 0.00 -1.95 0.00 0.00 55.36 54.51 3gr2 s GLN 52 Cb -0.24 -3.60 -0.05 0.00 -0.22 0.00 0.00 33.01 28.90 3gr2 s GLN 52 CO 0.87 -0.34 1.06 -1.25 -0.25 0.00 0.00 175.29 175.38 3gr2 s PRO 53 N 2.23 3.45 0.20 2.91 0.04 -1.26 -0.17 135.00 142.40 3gr2 s PRO 53 Ca 0.33 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 3gr2 s PRO 53 Cb -0.16 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 3gr2 s PRO 53 CO 0.10 -0.71 1.52 0.08 0.04 0.00 0.00 177.00 178.03 3gr2 s VAL 54 N -2.26 2.61 0.27 -0.36 1.01 -0.79 -4.31 120.40 116.58 3gr2 s VAL 54 Ca 0.65 0.47 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3gr2 s VAL 54 Cb -0.17 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 3gr2 s VAL 54 CO 0.31 0.05 0.09 0.35 0.00 0.00 0.00 175.10 175.90 3gr2 n THR 55 N 3.23 0.00 0.30 3.92 -2.24 -1.26 -4.75 114.28 113.49 3gr2 n THR 55 Ca 0.11 -1.57 0.19 0.00 -2.27 0.00 0.00 64.05 60.51 3gr2 n THR 55 Cb 0.39 0.54 0.89 0.00 -2.10 0.00 0.00 70.33 70.05 3gr2 n THR 55 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3gr2 h GLN 56 N 0.00 0.00 0.00 -0.78 1.08 -1.98 -2.88 115.11 110.54 3gr2 h GLN 56 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3gr2 h GLN 56 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3gr2 h GLN 56 CO 0.34 0.01 -0.62 1.04 -0.95 0.00 0.00 178.83 178.66 3gr2 n GLN 57 N -3.14 0.15 -2.07 1.46 6.02 -1.26 -4.02 117.38 114.51 3gr2 n GLN 57 Ca -0.01 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 3gr2 n GLN 57 Cb 0.21 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 29.86 3gr2 n GLN 57 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gr2 s THR 58 N -3.09 3.39 -0.07 5.09 2.01 -1.09 -4.86 115.64 117.02 3gr2 s THR 58 Ca 0.08 0.79 -0.24 0.00 0.31 0.00 0.00 61.69 62.63 3gr2 s THR 58 Cb 0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3gr2 s THR 58 CO 0.72 -0.01 0.75 -0.76 -0.69 0.00 0.00 174.62 174.64 3gr2 s LEU 59 N 2.61 4.30 0.12 4.42 1.43 0.14 -4.08 118.68 127.62 3gr2 s LEU 59 Ca 0.69 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 55.10 3gr2 s LEU 59 Cb -0.35 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 3gr2 s LEU 59 CO 0.29 -0.17 -0.10 -0.36 0.23 0.00 0.00 176.35 176.24 3gr2 s PHE 60 N 1.03 2.72 -0.10 0.29 0.40 0.46 -1.35 117.98 121.42 3gr2 s PHE 60 Ca 0.39 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 56.25 3gr2 s PHE 60 Cb -0.18 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 3gr2 s PHE 60 CO 0.19 0.44 1.20 -1.21 0.70 0.00 0.00 175.22 176.54 3gr2 s GLU 61 N -2.33 4.31 0.40 0.44 2.02 -1.26 -1.27 118.70 121.01 3gr2 s GLU 61 Ca 0.22 1.64 0.22 0.00 0.02 0.00 0.00 54.97 57.07 3gr2 s GLU 61 Cb -0.11 -3.63 0.43 0.00 0.10 0.00 0.00 34.13 30.92 3gr2 s GLU 61 CO 0.14 -0.54 1.62 -0.07 0.02 0.00 0.00 175.26 176.43 3gr2 h LEU 62 N 8.77 0.00 0.00 1.80 3.38 -1.34 -3.44 115.31 124.48 3gr2 h LEU 62 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gr2 h LEU 62 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gr2 h LEU 62 CO 0.91 0.19 0.00 0.61 0.09 0.00 0.00 178.44 180.25 3gr2 n GLY 63 N 0.91 3.33 0.00 0.83 0.00 -1.25 -2.72 105.19 106.29 3gr2 n GLY 63 Ca 0.02 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 3.38 0.00 0.32 1.61 7.64 -1.25 -1.49 113.62 123.83 3gr2 n SER 64 Ca 0.00 0.37 0.20 0.00 1.01 0.00 0.00 58.87 60.46 3gr2 n SER 64 Cb 0.00 -0.43 1.04 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.09 -0.57 0.44 2.07 -1.59 -1.43 116.25 115.27 3gr2 h VAL 65 Ca 0.00 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.50 3gr2 h VAL 65 Cb 0.19 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3gr2 h VAL 65 CO 0.00 0.01 0.39 0.28 0.02 0.00 0.00 177.57 178.27 3gr2 h SER 66 N 0.00 0.15 0.07 0.57 0.02 -1.48 -2.02 113.55 110.87 3gr2 h SER 66 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gr2 h SER 66 Cb 0.14 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3gr2 h SER 66 CO 0.00 0.08 -0.02 0.11 -1.14 0.00 0.00 176.83 175.86 3gr2 h LYS 67 N 0.16 0.00 -0.22 3.45 1.57 -1.40 -0.54 116.57 119.59 3gr2 h LYS 67 Ca 0.27 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.90 3gr2 h LYS 67 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3gr2 h LYS 67 CO -0.04 0.02 -0.48 1.79 -0.57 0.00 0.00 179.45 180.16 3gr2 h THR 68 N 0.00 1.31 -0.35 -0.16 1.35 -1.55 0.14 112.91 113.65 3gr2 h THR 68 Ca -0.00 -1.70 -0.09 0.00 -0.55 0.00 0.00 66.41 64.08 3gr2 h THR 68 Cb 0.06 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 3gr2 h THR 68 CO 0.00 0.53 -0.13 -0.26 -0.25 0.00 0.00 175.52 175.42 3gr2 h PHE 69 N 0.47 0.80 -0.65 4.73 0.04 -1.26 -1.99 116.94 119.08 3gr2 h PHE 69 Ca 0.02 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3gr2 h PHE 69 Cb 1.02 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 3gr2 h PHE 69 CO 0.04 0.88 0.41 1.15 -0.60 0.00 0.00 178.31 180.20 3gr2 h THR 70 N 0.49 1.18 -0.43 -1.55 2.02 -1.13 0.22 112.91 113.71 3gr2 h THR 70 Ca 0.08 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3gr2 h THR 70 Cb 0.65 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3gr2 h THR 70 CO 0.04 0.18 0.28 1.23 0.37 0.00 0.00 175.52 177.62 3gr2 h GLY 71 N 0.88 0.60 1.12 2.16 0.00 -0.69 -1.05 103.07 106.09 3gr2 h GLY 71 Ca 0.23 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.20 3gr2 h GLY 71 CO -0.05 0.21 -0.27 -2.08 0.00 0.00 0.00 176.54 174.36 3gr2 h VAL 72 N 0.57 1.27 -0.70 4.60 2.07 -1.09 0.05 116.25 123.02 3gr2 h VAL 72 Ca 0.16 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 3gr2 h VAL 72 Cb -0.06 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3gr2 h VAL 72 CO -0.04 0.49 0.43 0.25 0.02 0.00 0.00 177.57 178.73 3gr2 h LEU 73 N 0.83 0.83 -0.44 2.57 5.85 -0.84 0.18 115.31 124.29 3gr2 h LEU 73 Ca 0.10 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gr2 h LEU 73 Cb 0.85 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3gr2 h LEU 73 CO 0.08 0.63 0.26 1.23 -0.34 0.00 0.00 178.44 180.30 3gr2 h GLY 74 N 0.95 0.65 0.72 3.75 0.00 -1.00 -1.49 103.07 106.64 3gr2 h GLY 74 Ca 0.25 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.36 3gr2 h GLY 74 CO -0.05 0.27 0.43 -1.33 0.00 0.00 0.00 176.54 175.86 3gr2 h GLY 75 N 0.59 1.08 1.05 4.60 0.00 -0.43 -1.58 103.07 108.38 3gr2 h GLY 75 Ca 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3gr2 h GLY 75 CO -0.03 0.21 0.40 -1.80 0.00 0.00 0.00 176.54 175.31 3gr2 h ASP 76 N 0.80 1.12 -0.17 0.19 3.58 -0.27 -1.62 116.42 120.04 3gr2 h ASP 76 Ca 0.32 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.53 3gr2 h ASP 76 Cb 0.16 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3gr2 h ASP 76 CO -0.17 0.94 -0.23 0.00 -2.88 0.00 0.00 179.24 176.90 3gr2 h ALA 77 N 1.22 0.99 -0.26 -0.78 0.00 -0.72 -0.40 119.26 119.31 3gr2 h ALA 77 Ca 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gr2 h ALA 77 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gr2 h ALA 77 CO -0.03 0.59 0.11 0.82 0.00 0.00 0.00 179.25 180.74 3gr2 h ILE 78 N 0.55 1.16 -0.70 0.00 2.04 -1.03 -0.84 117.51 118.69 3gr2 h ILE 78 Ca 0.08 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.45 3gr2 h ILE 78 Cb 0.70 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3gr2 h ILE 78 CO 0.05 0.17 0.46 0.00 0.00 0.00 0.00 178.15 178.83 3gr2 h ALA 79 N 0.96 1.51 0.00 1.87 0.00 -1.03 -0.31 119.26 122.26 3gr2 h ALA 79 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gr2 h ALA 79 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gr2 h ALA 79 CO -0.01 0.45 0.00 0.54 0.00 0.00 0.00 179.25 180.23 3gr2 n ARG 80 N -4.43 0.23 -1.25 0.00 1.74 -0.18 -4.88 116.66 107.88 3gr2 n ARG 80 Ca 0.07 0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 57.18 3gr2 n ARG 80 Cb 0.04 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.43 1.04 0.10 -0.13 0.00 -0.13 -4.92 105.19 101.58 3gr2 n GLY 81 Ca 0.09 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 0.03 0.22 -4.73 1.61 5.08 -1.36 -3.48 114.58 111.96 3gr2 h GLU 82 Ca -0.18 -0.38 -0.26 0.00 -1.00 0.00 0.00 59.36 57.54 3gr2 h GLU 82 Cb 0.59 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 3gr2 h GLU 82 CO 0.26 1.11 -0.68 0.96 -1.00 0.00 0.00 179.01 179.66 3gr2 s ILE 83 N -2.64 0.66 -0.02 3.13 -4.36 -1.18 -4.81 121.20 111.99 3gr2 s ILE 83 Ca -0.06 -1.96 0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3gr2 s ILE 83 Cb 0.07 -1.94 -0.01 0.00 1.25 0.00 0.00 42.46 41.83 3gr2 s ILE 83 CO 0.86 -0.63 -0.13 -0.54 0.24 0.00 0.00 174.94 174.73 3gr2 s LYS 84 N -3.89 1.20 0.47 0.37 1.02 -1.26 -4.22 119.74 113.42 3gr2 s LYS 84 Ca 0.19 -0.47 0.32 0.00 0.02 0.00 0.00 55.97 56.02 3gr2 s LYS 84 Cb 0.06 -1.12 1.42 0.00 -0.52 0.00 0.00 37.83 37.66 3gr2 s LYS 84 CO 0.00 0.25 1.94 -0.07 -0.92 0.00 0.00 175.35 176.56 3gr2 h LEU 85 N 6.00 0.00 0.00 3.17 3.38 -1.98 -2.03 115.31 123.84 3gr2 h LEU 85 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 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 0.49 0.00 -0.05 -1.54 0.09 0.00 0.00 178.44 177.43 3gr2 n SER 86 N -2.77 0.18 -4.76 -0.43 3.41 -1.26 -1.24 113.62 106.75 3gr2 n SER 86 Ca 0.00 0.45 -0.40 0.00 -0.26 0.00 0.00 58.87 58.67 3gr2 n SER 86 Cb 0.22 -0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 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 -3.28 7.18 0.61 4.04 1.01 -0.77 -4.84 116.67 120.62 3gr2 s ASP 87 Ca 0.13 2.24 -0.20 0.00 0.71 0.00 0.00 52.55 55.43 3gr2 s ASP 87 Cb 0.18 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.46 3gr2 s ASP 87 CO 0.56 -0.20 1.33 -2.84 0.21 0.00 0.00 175.17 174.22 3gr2 s PRO 88 N -1.61 2.79 0.31 8.23 0.02 -1.26 -1.34 135.00 142.14 3gr2 s PRO 88 Ca 0.47 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.68 3gr2 s PRO 88 Cb -0.30 -2.02 0.66 0.00 0.02 0.00 0.00 34.50 32.86 3gr2 s PRO 88 CO 0.39 -1.44 1.85 1.15 -0.33 0.00 0.00 177.00 178.63 3gr2 h THR 89 N 0.93 0.90 0.00 0.99 2.02 -1.24 -2.60 112.91 113.90 3gr2 h THR 89 Ca -0.51 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3gr2 h THR 89 Cb 1.32 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gr2 h THR 89 CO 0.55 0.16 -0.08 0.71 0.37 0.00 0.00 175.52 177.23 3gr2 h THR 90 N 0.87 0.39 -0.97 3.16 1.35 -1.81 -2.82 112.91 113.08 3gr2 h THR 90 Ca 0.47 -0.41 0.03 0.00 -0.55 0.00 0.00 66.41 65.95 3gr2 h THR 90 Cb 0.56 1.29 -0.05 0.00 -1.73 0.00 0.00 68.15 68.22 3gr2 h THR 90 CO -0.23 0.07 0.64 0.50 -0.25 0.00 0.00 175.52 176.25 3gr2 h LYS 91 N 0.00 1.21 -0.02 4.72 3.64 -1.83 -2.56 116.57 121.72 3gr2 h LYS 91 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3gr2 h LYS 91 Cb 0.28 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3gr2 h LYS 91 CO 0.01 0.80 -0.37 0.66 -2.27 0.00 0.00 179.45 178.27 3gr2 n TYR 92 N -4.43 0.00 -3.30 1.91 4.02 -1.08 -4.50 117.16 109.77 3gr2 n TYR 92 Ca 0.13 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.76 3gr2 n TYR 92 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 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 0.16 -0.28 0.29 -0.72 -0.00 -1.09 -4.98 117.44 110.82 3gr2 n TRP 93 Ca 0.09 -3.51 0.18 0.00 -0.00 0.00 0.00 57.50 54.26 3gr2 n TRP 93 Cb 0.46 -0.13 0.96 0.00 -0.00 0.00 0.00 31.31 32.60 3gr2 n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3gr2 h PRO 94 N 4.70 0.00 0.00 5.87 0.13 -1.69 0.39 132.00 141.40 3gr2 h PRO 94 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gr2 h PRO 94 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3gr2 h PRO 94 CO 0.45 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.15 3gr2 h GLU 95 N 0.00 0.00 -5.50 0.86 3.07 -1.95 -3.38 114.58 107.68 3gr2 h GLU 95 Ca 0.02 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.19 3gr2 h GLU 95 Cb 0.18 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.97 3gr2 h GLU 95 CO -0.00 0.00 1.78 -1.17 -1.40 0.00 0.00 179.01 178.22 3gr2 s LEU 96 N -5.07 4.25 -0.00 1.33 2.96 0.13 -4.77 118.68 117.50 3gr2 s LEU 96 Ca 0.04 -2.48 0.20 0.00 -0.22 0.00 0.00 54.13 51.67 3gr2 s LEU 96 Cb 0.09 -2.51 -0.23 0.00 0.50 0.00 0.00 46.19 44.04 3gr2 s LEU 96 CO 0.48 -1.07 0.80 0.35 -1.32 0.00 0.00 176.35 175.58 3gr2 n THR 97 N 5.85 0.00 -1.74 3.68 -2.24 -1.26 -4.72 114.28 113.86 3gr2 n THR 97 Ca 0.42 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.70 3gr2 n THR 97 Cb 0.46 0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.56 1.84 -0.31 6.98 0.00 -1.26 -4.89 120.51 121.31 3gr2 n ALA 98 Ca 0.03 0.34 0.03 0.00 0.00 0.00 0.00 53.44 53.84 3gr2 n ALA 98 Cb 0.34 -2.34 0.17 0.00 0.00 0.00 0.00 19.45 17.62 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 2.71 0.84 0.00 0.00 2.10 -1.94 -2.36 116.57 117.92 3gr2 h LYS 99 Ca -0.49 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3gr2 h LYS 99 Cb 1.26 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3gr2 h LYS 99 CO 0.63 0.55 0.15 -0.56 -2.00 0.00 0.00 179.45 178.22 3gr2 h GLN 100 N 0.86 0.00 -0.00 0.07 -0.00 -1.93 0.12 115.11 114.23 3gr2 h GLN 100 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.06 3gr2 h GLN 100 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 3gr2 h GLN 100 CO -0.23 0.00 -0.33 0.91 -0.00 0.00 0.00 178.83 179.18 3gr2 n TRP 101 N -2.35 0.00 -1.80 0.06 7.02 -0.89 -4.76 117.44 114.72 3gr2 n TRP 101 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.04 3gr2 n TRP 101 Cb 0.18 -0.30 -0.03 0.00 -2.42 0.00 0.00 31.31 28.75 3gr2 n TRP 101 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3gr2 s ASN 102 N -2.92 6.53 0.00 -0.99 0.01 0.41 -2.00 114.94 115.98 3gr2 s ASN 102 Ca 0.14 2.53 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 3gr2 s ASN 102 Cb 0.18 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.31 3gr2 s ASN 102 CO 0.63 -1.00 0.00 0.61 -1.51 0.00 0.00 177.10 175.83 3gr2 n GLY 103 N 4.35 0.71 3.54 0.66 0.00 -1.26 -5.04 105.19 108.15 3gr2 n GLY 103 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.62 5.07 0.46 -0.61 1.01 -0.85 -4.89 121.20 118.78 3gr2 s ILE 104 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.87 3gr2 s ILE 104 Cb 0.00 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3gr2 s ILE 104 CO 0.00 -0.21 0.50 0.42 0.00 0.00 0.00 174.94 175.65 3gr2 s THR 105 N 2.24 2.53 0.39 2.92 -4.23 -1.26 -0.81 115.64 117.42 3gr2 s THR 105 Ca 0.15 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 3gr2 s THR 105 Cb -0.16 -2.74 0.22 0.00 1.34 0.00 0.00 72.50 71.16 3gr2 s THR 105 CO 0.13 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.13 3gr2 h LEU 106 N 0.74 0.42 -0.35 4.79 3.38 -1.21 -2.22 115.31 120.86 3gr2 h LEU 106 Ca -0.38 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.60 3gr2 h LEU 106 Cb 1.28 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 3gr2 h LEU 106 CO 0.51 0.40 0.07 0.25 0.09 0.00 0.00 178.44 179.76 3gr2 h LEU 107 N 0.47 0.02 -0.39 1.67 5.85 -1.45 -1.00 115.31 120.47 3gr2 h LEU 107 Ca 0.12 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3gr2 h LEU 107 Cb 0.12 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3gr2 h LEU 107 CO -0.01 0.05 0.12 0.45 -0.34 0.00 0.00 178.44 178.71 3gr2 h HIS 108 N 0.19 0.22 -0.19 1.25 3.86 -1.69 -1.84 115.15 116.94 3gr2 h HIS 108 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3gr2 h HIS 108 Cb 0.19 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3gr2 h HIS 108 CO -0.18 0.08 0.13 -0.07 0.86 0.00 0.00 177.93 178.74 3gr2 h LEU 109 N 0.27 0.22 -1.47 2.43 3.38 -1.20 0.71 115.31 119.64 3gr2 h LEU 109 Ca 0.18 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3gr2 h LEU 109 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3gr2 h LEU 109 CO -0.20 0.16 -0.20 0.00 0.09 0.00 0.00 178.44 178.29 3gr2 h ALA 110 N 1.07 1.57 -0.28 1.53 0.00 -0.89 -2.33 119.26 119.94 3gr2 h ALA 110 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gr2 h ALA 110 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gr2 h ALA 110 CO -0.02 0.32 0.00 0.25 0.00 0.00 0.00 179.25 179.80 3gr2 n THR 111 N -4.26 1.48 -2.21 0.00 -2.24 -0.72 -4.45 114.28 101.88 3gr2 n THR 111 Ca -0.02 -1.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.25 3gr2 n THR 111 Cb 0.29 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.00 -0.68 -1.07 4.78 4.01 -0.78 -4.82 117.16 118.60 3gr2 n TYR 112 Ca 0.14 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.97 3gr2 n TYR 112 Cb 0.58 -3.25 0.19 0.00 -0.31 0.00 0.00 39.34 36.55 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 -3.85 2.07 0.26 -0.72 -2.24 0.17 -1.44 114.28 108.53 3gr2 n THR 113 Ca -0.19 -2.17 0.14 0.00 -2.27 0.00 0.00 64.05 59.56 3gr2 n THR 113 Cb 0.63 -0.25 0.64 0.00 -2.10 0.00 0.00 70.33 69.26 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 0.72 1.07 0.00 6.98 0.00 -1.79 0.81 119.26 127.06 3gr2 h ALA 114 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gr2 h ALA 114 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gr2 h ALA 114 CO 0.09 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.90 3gr2 n GLY 115 N -0.16 1.18 0.18 0.00 0.00 -1.26 -4.06 105.19 101.06 3gr2 n GLY 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.77 3.71 -0.02 0.00 -1.26 -0.42 105.19 108.96 3gr2 n GLY 116 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.00 3.69 -4.79 0.99 4.77 -1.26 -4.69 117.00 115.71 3gr2 n LEU 117 Ca 0.00 1.19 -0.34 0.00 -0.03 0.00 0.00 56.01 56.83 3gr2 n LEU 117 Cb 0.05 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 3gr2 n LEU 117 CO 0.00 -0.33 0.74 -2.16 -1.33 0.00 0.00 177.39 174.30 3gr2 s PRO 118 N -1.38 3.35 0.21 3.23 0.04 -1.26 -4.75 135.00 134.44 3gr2 s PRO 118 Ca 0.59 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.87 3gr2 s PRO 118 Cb -0.57 -2.03 0.26 0.00 0.04 0.00 0.00 34.50 32.21 3gr2 s PRO 118 CO 0.58 -0.80 1.63 1.25 0.04 0.00 0.00 177.00 179.69 3gr2 h LEU 119 N 0.81 -0.56 -8.97 -3.56 5.85 -1.92 -3.26 115.31 103.70 3gr2 h LEU 119 Ca -0.48 0.19 -0.68 0.00 0.84 0.00 0.00 57.88 57.74 3gr2 h LEU 119 Cb 1.23 0.39 -0.22 0.00 0.37 0.00 0.00 40.66 42.44 3gr2 h LEU 119 CO 0.57 -0.21 -0.81 -1.10 -0.34 0.00 0.00 178.44 176.55 3gr2 s GLN 120 N -6.22 1.94 0.13 1.25 -1.52 -1.26 -0.45 119.66 113.53 3gr2 s GLN 120 Ca -0.14 -1.06 -0.31 0.00 -1.95 0.00 0.00 55.36 51.90 3gr2 s GLN 120 Cb 0.20 -2.13 -0.08 0.00 -0.22 0.00 0.00 33.01 30.77 3gr2 s GLN 120 CO 0.74 0.52 1.37 0.08 -0.25 0.00 0.00 175.29 177.74 3gr2 s VAL 121 N -0.97 3.29 0.36 1.09 1.01 -1.26 -4.81 120.40 119.10 3gr2 s VAL 121 Ca 0.15 0.96 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 3gr2 s VAL 121 Cb -0.10 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3gr2 s VAL 121 CO 0.06 0.09 0.89 -2.65 0.00 0.00 0.00 175.10 173.50 3gr2 n PRO 122 N 3.62 1.13 -0.34 2.72 -0.02 -1.26 -4.84 135.00 136.00 3gr2 n PRO 122 Ca 0.10 0.40 0.18 0.00 -2.02 0.00 0.00 63.50 62.16 3gr2 n PRO 122 Cb 0.42 -1.80 0.40 0.00 -0.02 0.00 0.00 33.50 32.50 3gr2 n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gr2 h ASP 123 N 1.55 0.65 1.43 2.55 5.19 -2.02 -1.89 116.42 123.87 3gr2 h ASP 123 Ca -0.41 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3gr2 h ASP 123 Cb 1.36 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.88 3gr2 h ASP 123 CO 0.57 0.14 -0.05 -0.62 -3.12 0.00 0.00 179.24 176.16 3gr2 n GLU 124 N -4.80 0.27 -2.28 3.56 4.71 -1.26 -4.75 120.64 116.09 3gr2 n GLU 124 Ca 0.26 0.21 -0.43 0.00 -0.01 0.00 0.00 57.16 57.19 3gr2 n GLU 124 Cb 0.74 -1.80 -0.02 0.00 -1.01 0.00 0.00 31.44 29.35 3gr2 n GLU 124 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3gr2 s VAL 125 N -3.11 4.01 0.13 2.62 1.01 -0.71 -4.84 120.40 119.51 3gr2 s VAL 125 Ca 0.10 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.28 3gr2 s VAL 125 Cb 0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3gr2 s VAL 125 CO 0.61 -0.20 0.00 0.29 0.00 0.00 0.00 175.10 175.80 3gr2 n LYS 126 N 7.01 0.00 -1.99 2.72 5.02 -1.26 -4.04 118.16 125.62 3gr2 n LYS 126 Ca 0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.16 3gr2 n LYS 126 Cb 0.45 -0.32 0.09 0.00 -0.02 0.00 0.00 35.03 35.23 3gr2 n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gr2 s SER 127 N -5.60 4.48 0.34 4.39 1.04 -1.26 -4.76 113.70 112.32 3gr2 s SER 127 Ca 0.00 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.09 3gr2 s SER 127 Cb 0.00 -1.14 0.62 0.00 0.10 0.00 0.00 66.02 65.60 3gr2 s SER 127 CO 0.00 -1.89 1.98 0.28 0.98 0.00 0.00 173.24 174.59 3gr2 h SER 128 N -0.98 0.77 -0.26 7.02 0.02 -2.00 -0.16 113.55 117.96 3gr2 h SER 128 Ca -0.45 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 3gr2 h SER 128 Cb 1.32 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 3gr2 h SER 128 CO 0.62 0.54 -0.30 -1.28 -1.14 0.00 0.00 176.83 175.27 3gr2 h SER 129 N 0.90 0.72 -0.63 3.07 0.87 -1.99 -1.24 113.55 115.24 3gr2 h SER 129 Ca 0.29 -0.49 0.06 0.00 -1.23 0.00 0.00 61.79 60.43 3gr2 h SER 129 Cb 0.04 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 3gr2 h SER 129 CO -0.08 1.06 0.33 0.44 -0.53 0.00 0.00 176.83 178.05 3gr2 h ASP 130 N 0.39 0.47 -0.16 6.23 3.32 -1.83 -1.95 116.42 122.90 3gr2 h ASP 130 Ca 0.04 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3gr2 h ASP 130 Cb 0.87 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 3gr2 h ASP 130 CO 0.07 0.30 0.07 -0.07 -1.72 0.00 0.00 179.24 177.89 3gr2 h LEU 131 N 0.61 0.22 -0.45 1.55 3.38 -0.85 -1.02 115.31 118.76 3gr2 h LEU 131 Ca 0.29 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3gr2 h LEU 131 Cb 0.21 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3gr2 h LEU 131 CO -0.20 0.32 0.22 0.25 0.09 0.00 0.00 178.44 179.12 3gr2 h LEU 132 N 0.11 0.32 -0.41 1.67 5.85 -1.06 -1.93 115.31 119.86 3gr2 h LEU 132 Ca 0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3gr2 h LEU 132 Cb 0.16 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3gr2 h LEU 132 CO -0.00 0.23 0.22 0.03 -0.34 0.00 0.00 178.44 178.57 3gr2 h ARG 133 N 0.44 0.43 0.13 1.25 3.08 -1.20 0.12 114.38 118.62 3gr2 h ARG 133 Ca 0.19 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3gr2 h ARG 133 Cb 0.10 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3gr2 h ARG 133 CO -0.14 0.28 -0.28 0.35 -1.07 0.00 0.00 179.97 179.11 3gr2 h PHE 134 N 0.44 -0.77 -0.25 3.04 3.57 -0.84 -1.01 116.94 121.13 3gr2 h PHE 134 Ca 0.17 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 3gr2 h PHE 134 Cb 0.06 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3gr2 h PHE 134 CO -0.09 -0.39 -0.42 1.88 -2.23 0.00 0.00 178.31 177.06 3gr2 h TYR 135 N -0.50 0.73 -0.45 0.41 0.05 -1.19 -1.57 116.97 114.44 3gr2 h TYR 135 Ca 0.03 -0.22 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 3gr2 h TYR 135 Cb 0.53 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3gr2 h TYR 135 CO -0.25 0.93 0.18 1.96 -1.05 0.00 0.00 178.16 179.92 3gr2 h GLN 136 N 0.50 0.64 0.00 4.88 1.08 -0.68 -2.96 115.11 118.57 3gr2 h GLN 136 Ca 0.04 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3gr2 h GLN 136 Cb 0.93 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3gr2 h GLN 136 CO 0.08 0.53 -0.56 0.09 -0.95 0.00 0.00 178.83 178.02 3gr2 n ASN 137 N -4.36 0.67 -4.71 1.46 5.03 -0.39 -4.84 115.26 108.12 3gr2 n ASN 137 Ca 0.03 0.12 -0.42 0.00 0.87 0.00 0.00 54.58 55.18 3gr2 n ASN 137 Cb 0.15 0.10 -0.03 0.00 -1.02 0.00 0.00 39.78 38.98 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 -3.14 2.93 -0.16 3.10 -0.00 -0.61 -5.01 118.94 116.05 3gr2 s TRP 138 Ca 0.07 0.62 -0.02 0.00 -0.00 0.00 0.00 56.10 56.77 3gr2 s TRP 138 Cb 0.14 -3.88 -0.02 0.00 -0.00 0.00 0.00 33.47 29.72 3gr2 s TRP 138 CO 0.71 -3.29 -0.08 -0.65 -0.00 0.00 0.00 176.95 173.64 3gr2 s GLN 139 N 1.55 3.45 0.61 5.86 -1.52 -1.26 -4.96 119.66 123.38 3gr2 s GLN 139 Ca 0.70 -0.63 -0.18 0.00 -1.95 0.00 0.00 55.36 53.30 3gr2 s GLN 139 Cb -0.41 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.54 3gr2 s GLN 139 CO 0.31 0.09 1.16 -1.25 -0.25 0.00 0.00 175.29 175.35 3gr2 s PRO 140 N 0.71 2.97 0.12 2.91 0.04 -1.26 -4.97 135.00 135.51 3gr2 s PRO 140 Ca -0.04 1.63 0.18 0.00 0.04 0.00 0.00 61.00 62.81 3gr2 s PRO 140 Cb -0.15 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3gr2 s PRO 140 CO 0.02 -1.16 0.96 0.00 0.04 0.00 0.00 177.00 176.86 3gr2 h ALA 141 N 0.64 0.63 -2.59 8.56 0.00 -1.02 -3.49 119.26 122.01 3gr2 h ALA 141 Ca -0.49 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 53.68 3gr2 h ALA 141 Cb 1.27 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 3gr2 h ALA 141 CO 0.55 0.70 -0.37 -1.58 0.00 0.00 0.00 179.25 178.55 3gr2 s TRP 142 N -3.01 0.41 0.73 0.00 0.51 -1.07 -5.03 118.94 111.48 3gr2 s TRP 142 Ca -0.01 -0.79 -0.14 0.00 -2.12 0.00 0.00 56.10 53.04 3gr2 s TRP 142 Cb 0.09 -0.11 0.04 0.00 -0.81 0.00 0.00 33.47 32.67 3gr2 s TRP 142 CO 0.80 -0.66 1.14 0.00 -0.51 0.00 0.00 176.95 177.72 3gr2 s ALA 143 N -3.96 2.20 0.51 0.98 0.00 -1.26 -4.46 121.76 115.77 3gr2 s ALA 143 Ca 0.16 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 3gr2 s ALA 143 Cb 0.04 -3.37 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3gr2 s ALA 143 CO -0.02 -1.73 1.33 -2.14 0.00 0.00 0.00 175.76 173.21 3gr2 s PRO 144 N -4.25 3.38 -1.16 0.00 0.02 -1.26 -3.42 135.00 128.30 3gr2 s PRO 144 Ca 0.68 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.88 3gr2 s PRO 144 Cb -0.23 -2.37 0.00 0.00 0.02 0.00 0.00 34.50 31.92 3gr2 s PRO 144 CO 0.47 -0.99 0.07 0.41 -0.33 0.00 0.00 177.00 176.64 3gr2 n GLY 145 N 0.65 -0.19 0.00 0.52 0.00 0.28 -4.90 105.19 101.56 3gr2 n GLY 145 Ca 0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.03 0.05 -4.18 2.61 -2.24 -1.22 -4.87 114.28 100.40 3gr2 n THR 146 Ca -0.15 -0.02 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3gr2 n THR 146 Cb 0.62 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.02 0.48 -0.26 -0.78 -1.52 -1.26 -1.84 119.66 112.46 3gr2 s GLN 147 Ca -0.01 -0.19 -0.13 0.00 -1.95 0.00 0.00 55.36 53.08 3gr2 s GLN 147 Cb 0.00 -0.47 -0.04 0.00 -0.22 0.00 0.00 33.01 32.28 3gr2 s GLN 147 CO 0.02 0.11 0.28 0.50 -0.25 0.00 0.00 175.29 175.95 3gr2 s ARG 148 N -0.05 4.02 -0.27 2.91 3.52 0.31 -4.26 118.95 125.13 3gr2 s ARG 148 Ca 0.01 -0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.50 3gr2 s ARG 148 Cb -0.03 -3.63 0.08 0.00 -1.56 0.00 0.00 34.95 29.81 3gr2 s ARG 148 CO -0.00 -0.17 0.03 -1.17 -0.81 0.00 0.00 175.30 173.18 3gr2 s LEU 149 N 1.75 2.43 0.04 -0.88 2.96 -0.52 -1.86 118.68 122.60 3gr2 s LEU 149 Ca 0.12 -1.39 -0.37 0.00 -0.22 0.00 0.00 54.13 52.27 3gr2 s LEU 149 Cb -0.15 -1.00 -0.16 0.00 0.50 0.00 0.00 46.19 45.38 3gr2 s LEU 149 CO 0.09 -0.33 1.45 0.00 -1.32 0.00 0.00 176.35 176.24 3gr2 n TYR 150 N 4.76 1.72 -3.65 5.38 4.19 -1.26 -4.79 117.16 123.51 3gr2 n TYR 150 Ca -0.06 0.55 -0.05 0.00 3.31 0.00 0.00 57.90 61.65 3gr2 n TYR 150 Cb 0.44 -2.39 -0.07 0.00 0.49 0.00 0.00 39.34 37.81 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 1.10 -1.73 0.31 2.98 0.00 -1.26 -4.32 121.76 118.84 3gr2 s ALA 151 Ca 0.86 2.13 0.01 0.00 0.00 0.00 0.00 51.96 54.96 3gr2 s ALA 151 Cb -0.93 -1.50 0.49 0.00 0.00 0.00 0.00 23.12 21.18 3gr2 s ALA 151 CO 0.49 -0.67 1.86 -0.91 0.00 0.00 0.00 175.76 176.53 3gr2 h ASN 152 N 7.65 0.68 0.83 0.00 2.35 -0.91 -2.69 115.58 123.49 3gr2 h ASN 152 Ca -0.23 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3gr2 h ASN 152 Cb 1.15 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.34 3gr2 h ASN 152 CO 0.14 0.67 0.00 0.77 -1.65 0.00 0.00 177.43 177.36 3gr2 h SER 153 N 0.72 0.00 0.00 5.81 4.64 -1.65 0.26 113.55 123.32 3gr2 h SER 153 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3gr2 h SER 153 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3gr2 h SER 153 CO -0.00 0.00 -0.03 -1.28 -0.87 0.00 0.00 176.83 174.65 3gr2 h SER 154 N 0.00 0.00 0.46 4.97 0.87 -1.73 -3.30 113.55 114.82 3gr2 h SER 154 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 3gr2 h SER 154 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3gr2 h SER 154 CO 0.00 0.08 -0.26 -0.29 -0.53 0.00 0.00 176.83 175.83 3gr2 h ILE 155 N -0.12 0.90 -0.32 2.23 2.10 -1.28 -2.17 117.51 118.84 3gr2 h ILE 155 Ca 0.00 -0.98 0.02 0.00 1.08 0.00 0.00 64.86 64.97 3gr2 h ILE 155 Cb 0.03 1.58 -0.02 0.00 -1.09 0.00 0.00 36.82 37.31 3gr2 h ILE 155 CO 0.00 0.25 0.18 1.23 -1.08 0.00 0.00 178.15 178.73 3gr2 h GLY 156 N 1.18 0.44 1.24 8.18 0.00 -1.15 -1.03 103.07 111.94 3gr2 h GLY 156 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3gr2 h GLY 156 CO 0.03 0.11 -0.09 -2.00 0.00 0.00 0.00 176.54 174.59 3gr2 h LEU 157 N 0.36 0.88 -0.18 3.11 5.85 -1.56 -2.53 115.31 121.25 3gr2 h LEU 157 Ca 0.13 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3gr2 h LEU 157 Cb 0.02 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 3gr2 h LEU 157 CO -0.08 1.00 -0.22 0.15 -0.34 0.00 0.00 178.44 178.95 3gr2 h PHE 158 N 0.81 -0.57 -0.87 1.25 3.57 -0.97 -1.23 116.94 118.93 3gr2 h PHE 158 Ca 0.13 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.73 3gr2 h PHE 158 Cb 0.61 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3gr2 h PHE 158 CO 0.04 -0.30 0.54 0.78 -2.23 0.00 0.00 178.31 177.14 3gr2 h GLY 159 N -0.25 1.31 1.11 2.40 0.00 -1.05 0.10 103.07 106.69 3gr2 h GLY 159 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3gr2 h GLY 159 CO -0.33 0.27 0.01 0.00 0.00 0.00 0.00 176.54 176.50 3gr2 h ALA 160 N 1.41 0.86 0.02 3.60 0.00 -1.07 -3.17 119.26 120.91 3gr2 h ALA 160 Ca 0.38 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3gr2 h ALA 160 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gr2 h ALA 160 CO -0.17 0.67 -1.02 -0.07 0.00 0.00 0.00 179.25 178.66 3gr2 h LEU 161 N 0.98 0.08 -1.89 0.00 3.38 -0.77 -3.32 115.31 113.77 3gr2 h LEU 161 Ca 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3gr2 h LEU 161 Cb 0.54 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3gr2 h LEU 161 CO 0.03 1.04 -0.06 0.00 0.09 0.00 0.00 178.44 179.54 3gr2 h ALA 162 N 0.95 1.87 -0.01 1.53 0.00 -0.77 -2.31 119.26 120.51 3gr2 h ALA 162 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gr2 h ALA 162 Cb 1.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3gr2 h ALA 162 CO 0.14 0.08 -0.27 1.33 0.00 0.00 0.00 179.25 180.53 3gr2 n VAL 163 N -4.43 0.00 -0.07 0.00 0.24 -1.23 -4.51 118.33 108.32 3gr2 n VAL 163 Ca -0.03 -0.21 -0.10 0.00 -2.04 0.00 0.00 64.34 61.97 3gr2 n VAL 163 Cb 0.15 0.73 -0.03 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 1.94 0.36 -0.74 7.34 1.57 -1.53 -2.70 116.57 122.81 3gr2 h LYS 164 Ca 0.00 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3gr2 h LYS 164 Cb 0.61 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 3gr2 h LYS 164 CO 0.00 0.30 0.49 -1.35 -0.57 0.00 0.00 179.45 178.32 3gr2 h PRO 165 N 0.32 0.53 0.00 3.15 0.11 -1.79 -1.88 132.00 132.45 3gr2 h PRO 165 Ca 0.09 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3gr2 h PRO 165 Cb 0.04 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 3gr2 h PRO 165 CO -0.02 0.35 -0.09 0.66 -0.21 0.00 0.00 178.00 178.70 3gr2 h SER 166 N 0.55 0.00 0.00 -2.05 4.64 -1.78 -3.46 113.55 111.45 3gr2 h SER 166 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3gr2 h SER 166 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3gr2 h SER 166 CO -0.12 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.53 3gr2 n GLY 167 N -0.63 2.81 3.84 -0.77 0.00 -0.71 -5.01 105.19 104.72 3gr2 n GLY 167 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 3.84 0.88 0.99 1.43 -1.26 -5.06 118.68 119.51 3gr2 s LEU 168 Ca 0.00 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 3gr2 s LEU 168 Cb 0.00 -4.42 0.12 0.00 0.03 0.00 0.00 46.19 41.93 3gr2 s LEU 168 CO 0.00 -0.42 1.10 -0.94 0.23 0.00 0.00 176.35 176.32 3gr2 s SER 169 N -2.58 3.45 0.14 2.29 1.04 -1.26 -4.70 113.70 112.07 3gr2 s SER 169 Ca 0.59 1.81 -0.18 0.00 0.48 0.00 0.00 55.95 58.64 3gr2 s SER 169 Cb -0.10 -2.42 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 3gr2 s SER 169 CO 0.21 -2.70 1.75 0.15 0.98 0.00 0.00 173.24 173.63 3gr2 h PHE 170 N -1.59 0.15 -0.39 5.02 3.57 -1.93 -1.40 116.94 120.36 3gr2 h PHE 170 Ca -0.47 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 3gr2 h PHE 170 Cb 1.26 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 3gr2 h PHE 170 CO 0.49 0.06 0.24 1.49 -2.23 0.00 0.00 178.31 178.36 3gr2 h GLU 171 N 0.20 0.53 -0.22 1.11 4.81 -1.99 -0.97 114.58 118.06 3gr2 h GLU 171 Ca 0.12 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3gr2 h GLU 171 Cb 0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3gr2 h GLU 171 CO -0.13 0.40 0.04 1.96 -0.73 0.00 0.00 179.01 180.55 3gr2 h GLN 172 N 0.51 0.12 -0.01 1.92 1.08 -1.88 0.15 115.11 116.99 3gr2 h GLN 172 Ca 0.14 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3gr2 h GLN 172 Cb 0.00 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 3gr2 h GLN 172 CO -0.03 0.08 -0.03 0.00 -0.95 0.00 0.00 178.83 177.90 3gr2 h ALA 173 N 1.16 -0.02 -0.30 3.87 0.00 -1.12 -0.96 119.26 121.89 3gr2 h ALA 173 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3gr2 h ALA 173 Cb 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gr2 h ALA 173 CO -0.13 -0.52 0.11 1.98 0.00 0.00 0.00 179.25 180.69 3gr2 h MET 174 N -0.05 0.25 0.22 0.00 1.85 -0.87 0.65 114.93 116.98 3gr2 h MET 174 Ca 0.02 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 3gr2 h MET 174 Cb 0.07 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.05 3gr2 h MET 174 CO -0.04 0.16 -0.11 0.37 -0.40 0.00 0.00 176.91 176.89 3gr2 h GLN 175 N 0.25 -0.29 0.00 0.39 4.15 -0.55 -0.86 115.11 118.21 3gr2 h GLN 175 Ca 0.13 0.02 -0.16 0.00 0.77 0.00 0.00 58.65 59.41 3gr2 h GLN 175 Cb 0.09 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3gr2 h GLN 175 CO -0.13 -0.18 -0.75 1.79 -1.93 0.00 0.00 178.83 177.64 3gr2 h THR 176 N -0.31 1.30 0.00 2.39 1.35 -1.08 -0.47 112.91 116.08 3gr2 h THR 176 Ca -0.03 -2.81 -0.06 0.00 -0.55 0.00 0.00 66.41 62.95 3gr2 h THR 176 Cb 0.24 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 3gr2 h THR 176 CO 0.05 0.74 -2.06 0.54 -0.25 0.00 0.00 175.52 174.53 3gr2 n ARG 177 N -3.30 0.67 0.05 4.72 1.74 0.21 -4.44 116.66 116.30 3gr2 n ARG 177 Ca 0.01 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3gr2 n ARG 177 Cb 0.83 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 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 -2.34 0.86 0.04 1.55 0.31 -0.42 -4.73 118.33 113.59 3gr2 n VAL 178 Ca -0.09 0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 3gr2 n VAL 178 Cb 0.67 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 32.22 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 -0.15 -0.04 3.52 0.04 -1.25 -3.00 116.94 116.06 3gr2 h PHE 179 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3gr2 h PHE 179 Cb 0.00 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3gr2 h PHE 179 CO 0.00 -0.10 -0.04 1.96 -0.60 0.00 0.00 178.31 179.53 3gr2 h GLN 180 N -0.10 0.09 -0.27 1.51 4.20 -1.33 0.22 115.11 119.43 3gr2 h GLN 180 Ca 0.03 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.77 3gr2 h GLN 180 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3gr2 h GLN 180 CO -0.08 0.57 0.20 -1.35 -0.67 0.00 0.00 178.83 177.50 3gr2 h PRO 181 N -0.38 0.00 -0.16 1.46 0.11 -1.78 -0.72 132.00 130.53 3gr2 h PRO 181 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3gr2 h PRO 181 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3gr2 h PRO 181 CO 0.01 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.08 3gr2 n LEU 182 N -4.42 2.21 -3.68 2.35 4.77 -1.13 -4.95 117.00 112.14 3gr2 n LEU 182 Ca 0.04 -0.86 -0.25 0.00 -0.03 0.00 0.00 56.01 54.90 3gr2 n LEU 182 Cb 0.36 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3gr2 n LEU 182 CO 0.35 0.43 0.17 0.29 -1.33 0.00 0.00 177.39 177.30 3gr2 n LYS 183 N 0.69 -6.90 -2.76 3.23 5.02 -0.28 -4.90 118.16 112.26 3gr2 n LYS 183 Ca 0.17 0.75 -0.44 0.00 -2.02 0.00 0.00 58.31 56.78 3gr2 n LYS 183 Cb 0.43 -5.72 0.00 0.00 -0.02 0.00 0.00 35.03 29.72 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 -4.76 5.28 -0.07 -0.35 4.77 0.68 -4.82 117.00 117.73 3gr2 n LEU 184 Ca -0.04 -4.30 0.15 0.00 -0.03 0.00 0.00 56.01 51.79 3gr2 n LEU 184 Cb 0.57 -1.65 0.81 0.00 -2.33 0.00 0.00 43.42 40.82 3gr2 n LEU 184 CO 0.68 0.61 1.03 0.59 -1.33 0.00 0.00 177.39 178.96 3gr2 n ASN 185 N 6.37 0.23 -2.65 -1.43 3.02 -1.26 -3.21 115.26 116.33 3gr2 n ASN 185 Ca 0.41 -0.80 -0.06 0.00 -0.03 0.00 0.00 54.58 54.11 3gr2 n ASN 185 Cb 0.43 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.93 1.60 -4.99 3.10 8.25 -1.26 -5.05 115.22 115.94 3gr2 n HIS 186 Ca 0.20 -2.17 -0.31 0.00 -0.26 0.00 0.00 57.72 55.18 3gr2 n HIS 186 Cb 0.19 -0.26 -0.17 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.98 1.90 -0.03 1.59 2.01 -1.20 -3.76 115.64 112.17 3gr2 s THR 187 Ca 0.32 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 3gr2 s THR 187 Cb 0.34 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 71.20 3gr2 s THR 187 CO -0.02 0.52 0.11 0.26 -0.69 0.00 0.00 174.62 174.80 3gr2 s TRP 188 N 0.51 -0.06 -0.06 4.92 0.52 -0.17 -5.00 118.94 119.60 3gr2 s TRP 188 Ca -0.15 0.15 -0.19 0.00 0.02 0.00 0.00 56.10 55.93 3gr2 s TRP 188 Cb -0.17 0.01 -0.31 0.00 -1.15 0.00 0.00 33.47 31.85 3gr2 s TRP 188 CO 0.06 -0.12 0.78 0.82 0.02 0.00 0.00 176.95 178.51 3gr2 h ILE 189 N 4.79 1.29 -3.62 2.03 2.04 -1.85 0.25 117.51 122.45 3gr2 h ILE 189 Ca -0.27 -2.51 -0.67 0.00 1.00 0.00 0.00 64.86 62.41 3gr2 h ILE 189 Cb 1.20 3.00 -0.34 0.00 -0.74 0.00 0.00 36.82 39.94 3gr2 h ILE 189 CO 0.43 0.73 -0.76 0.20 0.00 0.00 0.00 178.15 178.74 3gr2 s ASN 190 N -7.09 4.35 -0.09 1.72 0.01 -1.26 -4.75 114.94 107.82 3gr2 s ASN 190 Ca -0.15 -1.08 -0.30 0.00 -0.71 0.00 0.00 52.86 50.62 3gr2 s ASN 190 Cb 0.03 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 3gr2 s ASN 190 CO 0.82 -0.16 1.57 -0.69 -1.51 0.00 0.00 177.10 177.14 3gr2 s VAL 191 N 1.24 3.73 0.64 1.60 1.01 -1.26 -5.00 120.40 122.37 3gr2 s VAL 191 Ca -0.03 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 62.72 3gr2 s VAL 191 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3gr2 s VAL 191 CO -0.05 -0.09 1.04 -2.16 0.00 0.00 0.00 175.10 173.84 3gr2 s PRO 192 N 3.98 3.37 0.36 2.72 0.04 -1.26 -4.88 135.00 139.33 3gr2 s PRO 192 Ca 0.69 0.84 0.16 0.00 0.04 0.00 0.00 61.00 62.73 3gr2 s PRO 192 Cb -0.30 -2.05 1.06 0.00 0.04 0.00 0.00 34.50 33.25 3gr2 s PRO 192 CO 0.26 -0.75 1.72 -1.35 0.04 0.00 0.00 177.00 176.92 3gr2 h PRO 193 N -0.41 0.40 0.00 0.56 0.11 -2.01 -0.73 132.00 129.92 3gr2 h PRO 193 Ca -0.44 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3gr2 h PRO 193 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gr2 h PRO 193 CO 0.60 0.26 -0.04 0.00 -0.21 0.00 0.00 178.00 178.61 3gr2 h ALA 194 N 1.71 1.27 -0.01 -0.75 0.00 -2.03 -2.65 119.26 116.80 3gr2 h ALA 194 Ca 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.54 3gr2 h ALA 194 Cb 1.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3gr2 h ALA 194 CO -0.44 0.05 -0.57 0.39 0.00 0.00 0.00 179.25 178.68 3gr2 n GLU 195 N -3.53 1.15 -0.15 0.00 -0.58 -0.29 -4.54 120.64 112.70 3gr2 n GLU 195 Ca -0.02 -0.67 0.10 0.00 -0.42 0.00 0.00 57.16 56.15 3gr2 n GLU 195 Cb 0.15 -1.41 0.44 0.00 -0.57 0.00 0.00 31.44 30.04 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 1.59 0.55 0.00 3.49 5.08 -1.34 0.32 114.58 124.27 3gr2 h GLU 196 Ca 0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3gr2 h GLU 196 Cb 0.62 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3gr2 h GLU 196 CO 0.00 0.36 -0.04 1.57 -1.00 0.00 0.00 179.01 179.90 3gr2 h LYS 197 N 0.56 0.00 -0.01 2.33 2.10 -1.80 -2.76 116.57 117.00 3gr2 h LYS 197 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3gr2 h LYS 197 Cb 0.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.83 3gr2 h LYS 197 CO -0.11 0.04 -0.81 0.09 -2.00 0.00 0.00 179.45 176.66 3gr2 n ASN 198 N -3.19 1.32 -4.58 7.07 3.02 0.04 -4.90 115.26 114.03 3gr2 n ASN 198 Ca -0.01 -1.14 -0.43 0.00 -0.03 0.00 0.00 54.58 52.97 3gr2 n ASN 198 Cb 0.26 0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 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 -2.83 2.79 0.56 3.10 5.04 -0.83 -0.69 117.35 124.50 3gr2 s TYR 199 Ca 0.12 0.53 -0.21 0.00 -2.44 0.00 0.00 57.07 55.07 3gr2 s TYR 199 Cb 0.17 -4.34 -0.04 0.00 0.35 0.00 0.00 41.96 38.10 3gr2 s TYR 199 CO 0.77 -1.31 1.31 0.00 -1.34 0.00 0.00 175.55 174.98 3gr2 s ALA 200 N 4.38 2.71 0.16 3.97 0.00 -0.45 -4.93 121.76 127.60 3gr2 s ALA 200 Ca 0.44 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 53.36 3gr2 s ALA 200 Cb -0.08 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 3gr2 s ALA 200 CO 0.29 -1.32 0.84 -1.58 0.00 0.00 0.00 175.76 173.98 3gr2 s TRP 201 N -1.38 3.90 0.47 0.00 0.52 -0.52 -4.90 118.94 117.03 3gr2 s TRP 201 Ca 0.74 1.70 -0.10 0.00 0.02 0.00 0.00 56.10 58.46 3gr2 s TRP 201 Cb -0.37 -2.86 -0.05 0.00 -1.15 0.00 0.00 33.47 29.03 3gr2 s TRP 201 CO 0.43 0.44 0.84 0.20 0.02 0.00 0.00 176.95 178.88 3gr2 s GLY 202 N -0.91 1.79 -0.12 0.98 0.00 0.00 -4.83 107.32 104.24 3gr2 s GLY 202 Ca 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 3gr2 s GLY 202 CO 0.28 -0.02 -0.07 -0.19 0.00 0.00 0.00 173.10 173.10 3gr2 s TYR 203 N -2.62 1.48 -0.12 1.90 2.02 -0.60 0.10 117.35 119.52 3gr2 s TYR 203 Ca 0.52 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3gr2 s TYR 203 Cb -0.10 -1.23 0.04 0.00 -0.40 0.00 0.00 41.96 40.27 3gr2 s TYR 203 CO 0.38 -0.53 0.01 0.50 -1.57 0.00 0.00 175.55 174.34 3gr2 s ARG 204 N 1.71 0.71 -1.42 -0.62 3.52 -1.00 -4.40 118.95 117.45 3gr2 s ARG 204 Ca 0.04 -0.11 -0.10 0.00 -0.13 0.00 0.00 55.73 55.42 3gr2 s ARG 204 Cb -0.13 -1.43 0.04 0.00 -1.56 0.00 0.00 34.95 31.87 3gr2 s ARG 204 CO -0.08 -0.42 1.08 0.39 -0.81 0.00 0.00 175.30 175.47 3gr2 n GLU 205 N 5.09 -6.85 -0.88 5.12 1.02 -1.26 -2.24 120.64 120.64 3gr2 n GLU 205 Ca -0.08 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 3gr2 n GLU 205 Cb 0.49 -5.70 0.00 0.00 -0.02 0.00 0.00 31.44 26.21 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 -1.84 0.63 3.63 0.62 0.00 -1.26 -4.99 105.19 101.99 3gr2 n GLY 206 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 3.94 -0.10 1.61 -0.14 -0.95 -5.06 119.74 118.68 3gr2 s LYS 207 Ca 0.00 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 53.97 3gr2 s LYS 207 Cb 0.00 -3.19 -0.04 0.00 -1.68 0.00 0.00 37.83 32.92 3gr2 s LYS 207 CO 0.00 0.29 1.48 0.00 -0.76 0.00 0.00 175.35 176.36 3gr2 s ALA 208 N 0.32 3.64 0.03 5.17 0.00 -1.26 -2.37 121.76 127.29 3gr2 s ALA 208 Ca 0.03 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.74 3gr2 s ALA 208 Cb -0.12 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 3gr2 s ALA 208 CO 0.00 -1.28 -0.07 0.14 0.00 0.00 0.00 175.76 174.55 3gr2 s VAL 209 N 3.75 0.51 0.22 0.00 -7.23 0.12 -4.93 120.40 112.82 3gr2 s VAL 209 Ca 0.65 -0.91 0.11 0.00 -1.81 0.00 0.00 61.98 60.02 3gr2 s VAL 209 Cb -0.28 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 3gr2 s VAL 209 CO 0.23 -0.29 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.54 3gr2 s HIS 210 N -1.14 2.39 0.24 2.82 3.76 -1.26 -0.82 115.29 121.29 3gr2 s HIS 210 Ca -0.08 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.20 3gr2 s HIS 210 Cb -0.08 -1.14 -0.13 0.00 1.11 0.00 0.00 32.58 32.34 3gr2 s HIS 210 CO 0.00 0.56 1.54 1.55 -0.85 0.00 0.00 174.74 177.54 3gr2 n VAL 211 N -0.06 0.73 -2.63 -0.90 3.14 -1.26 -4.98 118.33 112.37 3gr2 n VAL 211 Ca -0.10 -0.18 -0.38 0.00 -2.96 0.00 0.00 64.34 60.72 3gr2 n VAL 211 Cb 0.57 -1.72 -0.05 0.00 -1.06 0.00 0.00 33.84 31.57 3gr2 n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3gr2 s SER 212 N 0.56 7.11 0.62 6.55 0.01 -1.26 -5.04 113.70 122.25 3gr2 s SER 212 Ca 0.69 2.00 -0.19 0.00 1.31 0.00 0.00 55.95 59.76 3gr2 s SER 212 Cb -0.58 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.03 3gr2 s SER 212 CO 0.45 -0.24 1.23 -0.81 0.41 0.00 0.00 173.24 174.29 3gr2 n PRO 213 N 0.48 1.19 -3.47 12.44 -0.04 -1.26 -5.03 135.00 139.32 3gr2 n PRO 213 Ca 0.02 0.46 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 3gr2 n PRO 213 Cb 0.49 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 3gr2 n PRO 213 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gr2 s GLY 214 N -1.25 -0.54 0.24 0.55 0.00 -1.26 -5.08 107.32 99.98 3gr2 s GLY 214 Ca 0.79 0.71 -0.31 0.00 0.00 0.00 0.00 44.72 45.91 3gr2 s GLY 214 CO 0.44 0.24 1.65 0.00 0.00 0.00 0.00 173.10 175.42 3gr2 s ALA 215 N -3.46 3.83 -1.86 3.20 0.00 -1.26 -2.13 121.76 120.09 3gr2 s ALA 215 Ca 0.03 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3gr2 s ALA 215 Cb -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3gr2 s ALA 215 CO -0.11 -0.93 0.00 1.28 0.00 0.00 0.00 175.76 176.00 3gr2 n LEU 216 N 3.17 -1.80 -0.09 0.00 4.77 -1.26 -4.88 117.00 116.92 3gr2 n LEU 216 Ca 0.12 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3gr2 n LEU 216 Cb 0.37 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.54 3gr2 n LEU 216 CO 0.63 -0.44 0.88 -2.24 -1.33 0.00 0.00 177.39 174.90 3gr2 h ASP 217 N 0.00 0.39 -0.54 -1.43 3.04 -1.84 -1.87 116.42 114.17 3gr2 h ASP 217 Ca -0.47 -0.17 0.07 0.00 -3.24 0.00 0.00 57.03 53.22 3gr2 h ASP 217 Cb 1.35 -0.10 -0.06 0.00 -1.04 0.00 0.00 39.33 39.49 3gr2 h ASP 217 CO 0.58 0.45 0.23 0.00 -2.04 0.00 0.00 179.24 178.46 3gr2 h ALA 218 N 0.95 0.68 -0.05 4.15 0.00 -1.89 0.27 119.26 123.37 3gr2 h ALA 218 Ca 0.09 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3gr2 h ALA 218 Cb 0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gr2 h ALA 218 CO -0.01 -0.16 -0.61 0.93 0.00 0.00 0.00 179.25 179.40 3gr2 h GLU 219 N 0.43 0.19 0.00 0.00 3.07 -1.85 -3.24 114.58 113.18 3gr2 h GLU 219 Ca 0.25 -0.14 -0.32 0.00 -0.50 0.00 0.00 59.36 58.66 3gr2 h GLU 219 Cb 0.24 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 3gr2 h GLU 219 CO -0.23 0.75 -2.19 0.00 -1.40 0.00 0.00 179.01 175.94 3gr2 n ALA 220 N -2.46 1.56 -2.01 3.43 0.00 -0.71 -4.62 120.51 115.70 3gr2 n ALA 220 Ca -0.02 -1.01 -0.00 0.00 0.00 0.00 0.00 53.44 52.40 3gr2 n ALA 220 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.89 0.00 -0.03 0.00 0.18 0.57 -4.09 117.16 110.90 3gr2 n TYR 221 Ca -0.33 -0.05 0.11 0.00 1.88 0.00 0.00 57.90 59.51 3gr2 n TYR 221 Cb 0.97 0.20 0.25 0.00 -0.38 0.00 0.00 39.34 40.39 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 0.01 2.11 3.76 -7.48 0.00 0.63 -3.79 105.19 100.44 3gr2 n GLY 222 Ca -0.02 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.21 4.78 -0.04 1.61 1.01 -1.26 -4.40 120.40 120.89 3gr2 s VAL 223 Ca 0.41 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.84 3gr2 s VAL 223 Cb 0.22 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3gr2 s VAL 223 CO 0.30 0.42 -0.18 -0.54 0.00 0.00 0.00 175.10 175.11 3gr2 s LYS 224 N -0.33 2.42 0.17 2.72 3.01 0.87 -0.95 119.74 127.65 3gr2 s LYS 224 Ca 0.34 -0.77 -0.15 0.00 -1.01 0.00 0.00 55.97 54.38 3gr2 s LYS 224 Cb -0.20 -2.28 0.02 0.00 -1.01 0.00 0.00 37.83 34.36 3gr2 s LYS 224 CO 0.20 0.58 0.43 0.45 0.51 0.00 0.00 175.35 177.52 3gr2 s SER 225 N -0.63 -0.16 0.37 2.83 0.15 -0.40 -1.00 113.70 114.87 3gr2 s SER 225 Ca 0.10 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.22 3gr2 s SER 225 Cb -0.11 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3gr2 s SER 225 CO 0.00 -0.97 0.55 0.42 1.20 0.00 0.00 173.24 174.45 3gr2 s THR 226 N -3.88 4.21 0.39 6.45 -4.23 -1.25 -0.40 115.64 116.93 3gr2 s THR 226 Ca 0.10 -0.76 0.10 0.00 -1.18 0.00 0.00 61.69 59.95 3gr2 s THR 226 Cb 0.01 -3.51 0.15 0.00 1.34 0.00 0.00 72.50 70.49 3gr2 s THR 226 CO -0.04 -0.27 1.91 -0.29 -0.54 0.00 0.00 174.62 175.39 3gr2 h ILE 227 N 0.70 1.18 -0.19 2.99 6.09 -1.72 -0.98 117.51 125.59 3gr2 h ILE 227 Ca -0.47 -0.83 -0.05 0.00 -1.37 0.00 0.00 64.86 62.14 3gr2 h ILE 227 Cb 1.25 1.28 -0.01 0.00 0.47 0.00 0.00 36.82 39.82 3gr2 h ILE 227 CO 0.56 0.25 -0.08 -0.33 -3.07 0.00 0.00 178.15 175.48 3gr2 h GLU 228 N 0.18 0.39 -0.58 2.19 5.08 -1.94 -1.54 114.58 118.36 3gr2 h GLU 228 Ca 0.04 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 3gr2 h GLU 228 Cb 0.41 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3gr2 h GLU 228 CO 0.03 0.68 -0.02 -0.44 -1.00 0.00 0.00 179.01 178.25 3gr2 h ASP 229 N 0.09 1.02 0.00 1.42 5.19 -1.84 -2.41 116.42 119.90 3gr2 h ASP 229 Ca 0.04 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.07 3gr2 h ASP 229 Cb 0.56 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 3gr2 h ASP 229 CO 0.03 1.08 -0.23 0.24 -3.12 0.00 0.00 179.24 177.23 3gr2 h MET 230 N 0.94 0.39 -0.65 3.56 2.86 -1.18 0.39 114.93 121.24 3gr2 h MET 230 Ca 0.16 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3gr2 h MET 230 Cb 0.58 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3gr2 h MET 230 CO 0.03 0.60 0.39 0.00 1.06 0.00 0.00 176.91 179.00 3gr2 h ALA 231 N 1.41 0.82 -0.45 6.32 0.00 -1.08 -0.60 119.26 125.69 3gr2 h ALA 231 Ca 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3gr2 h ALA 231 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gr2 h ALA 231 CO 0.04 0.30 -0.01 -0.09 0.00 0.00 0.00 179.25 179.49 3gr2 h ARG 232 N 0.88 0.73 -0.66 0.00 2.43 -0.91 -0.99 114.38 115.86 3gr2 h ARG 232 Ca 0.23 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3gr2 h ARG 232 Cb -0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 3gr2 h ARG 232 CO -0.04 0.75 0.29 2.35 -1.51 0.00 0.00 179.97 181.81 3gr2 h TRP 233 N 0.69 0.99 -0.27 2.20 -0.00 -0.51 -0.61 115.95 118.44 3gr2 h TRP 233 Ca 0.14 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.89 58.92 3gr2 h TRP 233 Cb 0.44 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.29 3gr2 h TRP 233 CO 0.02 0.76 0.01 0.28 -0.00 0.00 0.00 178.44 179.51 3gr2 h VAL 234 N 0.93 1.25 -0.88 2.65 2.07 -0.82 -2.34 116.25 119.12 3gr2 h VAL 234 Ca 0.22 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.93 3gr2 h VAL 234 Cb 0.17 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3gr2 h VAL 234 CO -0.02 0.29 0.54 -0.61 0.02 0.00 0.00 177.57 177.78 3gr2 h GLN 235 N 0.25 0.90 -0.37 1.57 5.75 -0.97 0.94 115.11 123.18 3gr2 h GLN 235 Ca 0.08 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 3gr2 h GLN 235 Cb 0.41 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 3gr2 h GLN 235 CO 0.01 0.59 -0.24 0.77 -2.65 0.00 0.00 178.83 177.31 3gr2 h SER 236 N 0.92 0.77 1.35 -0.69 0.02 -1.03 -1.86 113.55 113.04 3gr2 h SER 236 Ca 0.41 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 3gr2 h SER 236 Cb 0.30 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 3gr2 h SER 236 CO -0.22 0.98 -0.66 0.78 -1.14 0.00 0.00 176.83 176.58 3gr2 h ASN 237 N 0.66 0.00 -0.01 3.07 2.35 -0.97 -2.92 115.58 117.76 3gr2 h ASN 237 Ca 0.09 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.71 3gr2 h ASN 237 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 3gr2 h ASN 237 CO 0.06 0.64 -0.41 -0.07 -1.65 0.00 0.00 177.43 176.00 3gr2 h LEU 238 N 0.00 0.56 -5.97 1.61 3.38 -0.69 -3.40 115.31 110.81 3gr2 h LEU 238 Ca -0.01 -0.25 -0.54 0.00 0.09 0.00 0.00 57.88 57.16 3gr2 h LEU 238 Cb 1.50 -0.16 -0.38 0.00 0.09 0.00 0.00 40.66 41.71 3gr2 h LEU 238 CO 0.08 0.91 -1.10 1.17 0.09 0.00 0.00 178.44 179.60 3gr2 n LYS 239 N -4.02 0.73 0.30 1.13 4.81 -0.71 -4.79 118.16 115.62 3gr2 n LYS 239 Ca -0.02 -3.18 0.19 0.00 -0.87 0.00 0.00 58.31 54.43 3gr2 n LYS 239 Cb 0.52 -1.25 0.95 0.00 0.02 0.00 0.00 35.03 35.27 3gr2 n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3gr2 h PRO 240 N 3.93 0.00 0.00 1.64 0.13 -1.73 -2.43 132.00 133.55 3gr2 h PRO 240 Ca 0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3gr2 h PRO 240 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 3gr2 h PRO 240 CO 0.46 0.02 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.17 3gr2 h LEU 241 N 0.00 0.00 0.00 1.56 3.38 -1.90 -2.19 115.31 116.16 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 0.00 0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.02 3gr2 n ASP 242 N -3.12 0.00 -4.66 -0.43 8.00 -0.91 -4.80 116.55 110.63 3gr2 n ASP 242 Ca -0.00 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3gr2 n ASP 242 Cb 0.27 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 3gr2 n ASP 242 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gr2 s ILE 243 N -2.92 4.83 0.28 0.53 -1.09 -0.83 -4.96 121.20 117.06 3gr2 s ILE 243 Ca 0.15 1.69 0.01 0.00 -2.23 0.00 0.00 60.65 60.26 3gr2 s ILE 243 Cb 0.17 -4.16 0.11 0.00 -1.58 0.00 0.00 42.46 36.99 3gr2 s ILE 243 CO 0.45 -0.04 1.78 0.78 -1.23 0.00 0.00 174.94 176.67 3gr2 h ASN 244 N 7.47 0.62 -3.21 3.58 2.35 -1.88 -3.42 115.58 121.08 3gr2 h ASN 244 Ca -0.26 -0.16 -0.57 0.00 -0.55 0.00 0.00 56.30 54.77 3gr2 h ASN 244 Cb 1.11 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.26 3gr2 h ASN 244 CO 0.87 0.74 0.97 -1.61 -1.65 0.00 0.00 177.43 176.75 3gr2 s GLU 245 N -4.84 3.86 0.10 0.81 8.01 -1.26 -4.93 118.70 120.45 3gr2 s GLU 245 Ca -0.08 1.15 -0.31 0.00 0.01 0.00 0.00 54.97 55.73 3gr2 s GLU 245 Cb 0.15 -3.89 -0.13 0.00 -4.31 0.00 0.00 34.13 25.94 3gr2 s GLU 245 CO 0.79 -1.19 1.60 0.87 0.01 0.00 0.00 175.26 177.35 3gr2 h LYS 246 N 9.42 -0.72 0.00 1.61 1.57 -2.00 -0.72 116.57 125.73 3gr2 h LYS 246 Ca -0.26 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3gr2 h LYS 246 Cb 1.09 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 3gr2 h LYS 246 CO 1.05 -0.48 -0.14 1.79 -0.57 0.00 0.00 179.45 181.09 3gr2 h THR 247 N -0.75 1.06 -0.09 -0.16 1.35 -1.91 -0.56 112.91 111.85 3gr2 h THR 247 Ca -0.02 -0.50 -0.09 0.00 -0.55 0.00 0.00 66.41 65.25 3gr2 h THR 247 Cb 0.69 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 3gr2 h THR 247 CO -0.10 0.14 -0.29 0.25 -0.25 0.00 0.00 175.52 175.27 3gr2 h LEU 248 N 0.00 0.41 -0.57 3.87 5.85 -1.80 0.68 115.31 123.75 3gr2 h LEU 248 Ca -0.00 -0.61 0.11 0.00 0.84 0.00 0.00 57.88 58.22 3gr2 h LEU 248 Cb 0.26 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.08 3gr2 h LEU 248 CO 0.02 0.95 0.01 -0.61 -0.34 0.00 0.00 178.44 178.47 3gr2 h GLN 249 N -0.11 0.12 -0.44 1.25 4.15 -0.58 -0.29 115.11 119.21 3gr2 h GLN 249 Ca -0.01 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.27 3gr2 h GLN 249 Cb 0.92 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3gr2 h GLN 249 CO 0.06 0.08 -0.24 1.96 -1.93 0.00 0.00 178.83 178.76 3gr2 h GLN 250 N 0.13 0.90 -0.81 1.69 4.20 -1.08 -2.75 115.11 117.39 3gr2 h GLN 250 Ca 0.29 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 3gr2 h GLN 250 Cb 0.46 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 3gr2 h GLN 250 CO -0.47 1.04 0.37 0.78 -0.67 0.00 0.00 178.83 179.88 3gr2 h GLY 251 N 0.91 1.27 0.95 3.46 0.00 -0.26 0.03 103.07 109.43 3gr2 h GLY 251 Ca 0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 3gr2 h GLY 251 CO 0.07 0.61 0.14 -2.22 0.00 0.00 0.00 176.54 175.14 3gr2 h ILE 252 N 1.16 1.22 -0.55 2.60 2.04 -1.05 -1.53 117.51 121.40 3gr2 h ILE 252 Ca 0.28 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3gr2 h ILE 252 Cb 0.15 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3gr2 h ILE 252 CO -0.03 0.27 0.34 1.56 0.00 0.00 0.00 178.15 180.29 3gr2 h GLN 253 N 0.59 0.66 -0.41 2.37 4.20 -1.17 -2.76 115.11 118.59 3gr2 h GLN 253 Ca 0.14 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 3gr2 h GLN 253 Cb 0.27 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3gr2 h GLN 253 CO -0.00 0.44 0.01 -0.07 -0.67 0.00 0.00 178.83 178.53 3gr2 h LEU 254 N 0.68 0.62 -1.95 1.46 3.38 -0.84 -2.52 115.31 116.15 3gr2 h LEU 254 Ca 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3gr2 h LEU 254 Cb -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gr2 h LEU 254 CO -0.08 0.69 -0.05 0.00 0.09 0.00 0.00 178.44 179.08 3gr2 h ALA 255 N 1.39 1.08 -0.37 1.53 0.00 -0.99 -2.21 119.26 119.69 3gr2 h ALA 255 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gr2 h ALA 255 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gr2 h ALA 255 CO 0.01 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.37 3gr2 n GLN 256 N -3.27 2.46 -2.09 0.00 6.02 -0.97 -1.08 117.38 118.44 3gr2 n GLN 256 Ca -0.01 -2.25 -0.36 0.00 -0.01 0.00 0.00 57.00 54.37 3gr2 n GLN 256 Cb 0.24 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.45 5.47 -0.48 1.08 0.01 -0.83 -3.94 113.70 113.56 3gr2 s SER 257 Ca 0.37 2.36 -0.18 0.00 1.31 0.00 0.00 55.95 59.81 3gr2 s SER 257 Cb 0.22 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.91 3gr2 s SER 257 CO 0.30 -1.40 0.55 -0.13 0.41 0.00 0.00 173.24 172.97 3gr2 s ARG 258 N -3.19 3.09 -0.15 12.44 0.52 0.19 -4.04 118.95 127.81 3gr2 s ARG 258 Ca 0.74 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 3gr2 s ARG 258 Cb -0.29 -4.08 -0.23 0.00 0.52 0.00 0.00 34.95 30.86 3gr2 s ARG 258 CO 0.33 -1.12 0.22 0.66 0.02 0.00 0.00 175.30 175.41 3gr2 n TYR 259 N 5.88 0.71 -4.05 -0.53 4.01 -0.72 -2.49 117.16 119.96 3gr2 n TYR 259 Ca -0.08 0.18 -0.10 0.00 -0.16 0.00 0.00 57.90 57.74 3gr2 n TYR 259 Cb 0.45 -1.10 -0.11 0.00 -0.31 0.00 0.00 39.34 38.27 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 -2.55 0.52 -0.08 -0.72 0.52 -1.24 -1.83 118.94 113.55 3gr2 s TRP 260 Ca -0.21 -0.66 0.04 0.00 0.02 0.00 0.00 56.10 55.29 3gr2 s TRP 260 Cb 0.07 -0.33 -0.00 0.00 -1.15 0.00 0.00 33.47 32.06 3gr2 s TRP 260 CO 0.74 -0.18 -0.22 -1.14 0.02 0.00 0.00 176.95 176.17 3gr2 s GLN 261 N -2.21 2.58 -0.14 4.98 0.74 -0.69 -1.33 119.66 123.59 3gr2 s GLN 261 Ca -0.07 -0.78 -0.01 0.00 0.05 0.00 0.00 55.36 54.56 3gr2 s GLN 261 Cb -0.05 -2.04 0.04 0.00 1.10 0.00 0.00 33.01 32.06 3gr2 s GLN 261 CO -0.02 0.21 -0.04 0.95 -0.55 0.00 0.00 175.29 175.83 3gr2 s THR 262 N 0.25 0.90 0.00 -0.34 -4.23 -0.51 -1.43 115.64 110.28 3gr2 s THR 262 Ca -0.13 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 3gr2 s THR 262 Cb -0.16 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.60 3gr2 s THR 262 CO 0.06 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 3gr2 n GLY 263 N 4.96 3.78 1.29 3.99 0.00 -1.26 -1.59 105.19 116.35 3gr2 n GLY 263 Ca -0.11 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.99 3gr2 n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gr2 n ASP 264 N 6.64 3.74 -4.80 1.61 5.75 -1.26 -4.95 116.55 123.28 3gr2 n ASP 264 Ca 0.00 -2.00 -0.32 0.00 -0.01 0.00 0.00 54.79 52.46 3gr2 n ASP 264 Cb 0.00 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 3gr2 n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 3gr2 s MET 265 N -1.10 3.08 -0.07 0.11 1.75 -0.62 -4.42 119.30 118.03 3gr2 s MET 265 Ca 0.46 -0.51 0.05 0.00 -1.25 0.00 0.00 55.69 54.45 3gr2 s MET 265 Cb 0.24 -2.86 -0.01 0.00 2.84 0.00 0.00 34.83 35.05 3gr2 s MET 265 CO 0.32 0.63 -0.24 0.71 -0.65 0.00 0.00 175.02 175.80 3gr2 s TYR 266 N -1.25 2.38 -0.23 4.11 2.02 0.11 -1.42 117.35 123.08 3gr2 s TYR 266 Ca 0.25 -0.78 -0.19 0.00 -0.37 0.00 0.00 57.07 55.98 3gr2 s TYR 266 Cb -0.12 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 39.84 3gr2 s TYR 266 CO 0.16 -0.26 0.58 -1.14 -1.57 0.00 0.00 175.55 173.32 3gr2 s GLN 267 N -0.00 4.15 0.00 -0.62 2.00 -0.44 -1.04 119.66 123.70 3gr2 s GLN 267 Ca -0.08 0.49 0.00 0.00 -2.00 0.00 0.00 55.36 53.77 3gr2 s GLN 267 Cb -0.15 -3.61 0.00 0.00 0.80 0.00 0.00 33.01 30.06 3gr2 s GLN 267 CO 0.05 -0.29 0.00 0.41 -0.50 0.00 0.00 175.29 174.96 3gr2 n GLY 268 N 4.04 1.81 3.37 2.59 0.00 -0.43 -1.76 105.19 114.81 3gr2 n GLY 268 Ca -0.03 -1.98 -0.45 0.00 0.00 0.00 0.00 46.02 43.56 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 5.56 0.00 0.99 1.43 -0.25 -4.61 118.68 121.80 3gr2 s LEU 269 Ca 0.00 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 3gr2 s LEU 269 Cb 0.00 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.93 3gr2 s LEU 269 CO 0.00 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.14 3gr2 n GLY 270 N 5.20 1.79 3.75 -3.19 0.00 -1.26 -4.24 105.19 107.24 3gr2 n GLY 270 Ca -0.07 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 2.31 0.05 1.61 0.52 -1.26 -4.64 118.94 117.53 3gr2 s TRP 271 Ca 0.00 1.42 0.08 0.00 0.02 0.00 0.00 56.10 57.62 3gr2 s TRP 271 Cb 0.00 -3.71 -0.03 0.00 -1.15 0.00 0.00 33.47 28.57 3gr2 s TRP 271 CO 0.00 -2.71 -0.20 -1.21 0.02 0.00 0.00 176.95 172.85 3gr2 s GLU 272 N -3.01 1.98 0.05 4.98 2.02 -0.90 -1.31 118.70 122.51 3gr2 s GLU 272 Ca 0.73 -1.03 0.03 0.00 0.02 0.00 0.00 54.97 54.72 3gr2 s GLU 272 Cb -0.38 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 3gr2 s GLU 272 CO 0.44 0.53 -0.09 -1.64 0.02 0.00 0.00 175.26 174.51 3gr2 s MET 273 N -1.50 0.60 0.04 1.61 -1.94 -0.21 -1.15 119.30 116.77 3gr2 s MET 273 Ca 0.14 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.37 3gr2 s MET 273 Cb -0.10 -0.44 -0.03 0.00 2.01 0.00 0.00 34.83 36.26 3gr2 s MET 273 CO 0.05 0.09 -0.05 -0.51 -0.01 0.00 0.00 175.02 174.59 3gr2 s LEU 274 N -1.51 2.32 0.32 -0.03 1.02 -0.35 0.10 118.68 120.55 3gr2 s LEU 274 Ca -0.07 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.12 3gr2 s LEU 274 Cb -0.09 -0.00 -0.11 0.00 0.02 0.00 0.00 46.19 46.01 3gr2 s LEU 274 CO 0.01 -0.34 1.43 -1.81 0.02 0.00 0.00 176.35 175.66 3gr2 s ASP 275 N -1.96 6.55 -0.12 2.29 1.01 -1.26 -0.18 116.67 123.00 3gr2 s ASP 275 Ca -0.06 2.83 -0.12 0.00 0.71 0.00 0.00 52.55 55.91 3gr2 s ASP 275 Cb -0.05 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 3gr2 s ASP 275 CO -0.02 -0.73 0.26 0.86 0.21 0.00 0.00 175.17 175.74 3gr2 s TRP 276 N -0.71 3.55 0.44 4.23 -0.11 -0.04 -3.18 118.94 123.12 3gr2 s TRP 276 Ca 0.55 0.63 -0.23 0.00 1.22 0.00 0.00 56.10 58.27 3gr2 s TRP 276 Cb -0.43 -2.21 -0.08 0.00 -1.50 0.00 0.00 33.47 29.24 3gr2 s TRP 276 CO 0.53 0.46 1.08 -1.25 -4.62 0.00 0.00 176.95 173.15 3gr2 s PRO 277 N -0.25 3.93 0.14 5.86 0.04 -1.26 -4.77 135.00 138.69 3gr2 s PRO 277 Ca 0.17 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3gr2 s PRO 277 Cb -0.13 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3gr2 s PRO 277 CO 0.05 -0.35 0.30 0.08 0.04 0.00 0.00 177.00 177.12 3gr2 s VAL 278 N -1.70 5.29 -0.35 -0.36 1.01 -1.19 -5.07 120.40 118.03 3gr2 s VAL 278 Ca 0.62 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3gr2 s VAL 278 Cb -0.23 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3gr2 s VAL 278 CO 0.28 -0.04 1.22 0.21 0.00 0.00 0.00 175.10 176.77 3gr2 s ASN 279 N -2.92 6.70 0.24 3.32 3.84 -1.26 -4.94 114.94 119.92 3gr2 s ASN 279 Ca 0.37 0.97 -0.06 0.00 0.21 0.00 0.00 52.86 54.35 3gr2 s ASN 279 Cb -0.12 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.36 3gr2 s ASN 279 CO 0.28 -1.10 1.86 1.55 -2.79 0.00 0.00 177.10 176.90 3gr2 h PRO 280 N 9.08 0.98 -0.55 0.43 0.13 -2.00 -1.42 132.00 138.64 3gr2 h PRO 280 Ca -0.24 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 64.91 3gr2 h PRO 280 Cb 1.08 -0.22 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 3gr2 h PRO 280 CO 1.06 0.65 0.37 -0.44 -0.23 0.00 0.00 178.00 179.41 3gr2 h ASP 281 N 1.00 0.37 -0.11 1.44 3.32 -1.98 0.83 116.42 121.30 3gr2 h ASP 281 Ca 0.37 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 3gr2 h ASP 281 Cb 0.14 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gr2 h ASP 281 CO -0.16 0.23 0.00 -1.28 -1.72 0.00 0.00 179.24 176.32 3gr2 h SER 282 N 0.42 0.19 0.20 6.45 0.87 -1.67 0.04 113.55 120.05 3gr2 h SER 282 Ca 0.25 -0.30 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 3gr2 h SER 282 Cb 0.44 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3gr2 h SER 282 CO -0.07 0.45 -0.74 0.16 -0.53 0.00 0.00 176.83 176.10 3gr2 h ILE 283 N -0.07 1.36 0.58 2.23 3.07 -1.33 -0.74 117.51 122.62 3gr2 h ILE 283 Ca 0.03 -2.12 -0.03 0.00 1.55 0.00 0.00 64.86 64.29 3gr2 h ILE 283 Cb 0.35 2.10 0.01 0.00 -0.27 0.00 0.00 36.82 39.00 3gr2 h ILE 283 CO 0.01 0.64 -0.28 0.40 -1.05 0.00 0.00 178.15 177.87 3gr2 h ILE 284 N 0.31 0.19 -0.65 0.16 2.04 -0.85 -2.48 117.51 116.24 3gr2 h ILE 284 Ca -0.03 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 3gr2 h ILE 284 Cb 1.32 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3gr2 h ILE 284 CO 0.13 0.03 0.25 0.78 0.00 0.00 0.00 178.15 179.34 3gr2 h ASN 285 N -1.11 0.87 0.31 1.72 -0.26 -1.11 -2.79 115.58 113.22 3gr2 h ASN 285 Ca -0.08 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 3gr2 h ASN 285 Cb 0.65 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 3gr2 h ASN 285 CO 0.13 0.79 -0.07 1.23 -1.06 0.00 0.00 177.43 178.45 3gr2 h GLY 286 N 1.03 0.00 1.90 2.83 0.00 -1.15 -2.47 103.07 105.21 3gr2 h GLY 286 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3gr2 h GLY 286 CO -0.02 0.00 -0.08 1.48 0.00 0.00 0.00 176.54 177.93 3gr2 h SER 287 N 0.00 0.00 -2.96 0.19 4.64 -1.15 -3.17 113.55 111.10 3gr2 h SER 287 Ca -0.00 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 3gr2 h SER 287 Cb 0.24 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.39 3gr2 h SER 287 CO 0.01 0.01 0.91 -0.62 -0.87 0.00 0.00 176.83 176.27 3gr2 s ASP 288 N -4.77 6.48 0.67 4.97 2.15 -0.93 -4.61 116.67 120.62 3gr2 s ASP 288 Ca 0.09 2.78 0.41 0.00 0.43 0.00 0.00 52.55 56.26 3gr2 s ASP 288 Cb 0.11 -2.61 2.22 0.00 -0.30 0.00 0.00 42.92 42.34 3gr2 s ASP 288 CO 0.62 -0.88 2.26 0.78 -0.17 0.00 0.00 175.17 177.78 3gr2 h ASN 289 N 6.12 0.00 -0.89 -0.34 2.35 -1.89 0.22 115.58 121.15 3gr2 h ASN 289 Ca -0.44 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.37 3gr2 h ASN 289 Cb 1.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.52 3gr2 h ASN 289 CO 0.88 0.00 0.58 0.50 -1.65 0.00 0.00 177.43 177.74 3gr2 h LYS 290 N 0.00 0.98 0.00 0.81 3.64 -1.93 -1.98 116.57 118.09 3gr2 h LYS 290 Ca 0.00 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.05 3gr2 h LYS 290 Cb 0.17 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3gr2 h LYS 290 CO -0.00 0.65 -1.57 -0.89 -2.27 0.00 0.00 179.45 175.37 3gr2 n ILE 291 N -4.49 1.52 0.13 2.00 2.08 0.49 -4.13 119.36 116.96 3gr2 n ILE 291 Ca 0.13 -0.10 0.12 0.00 0.56 0.00 0.00 62.75 63.46 3gr2 n ILE 291 Cb 0.20 -2.04 0.63 0.00 -0.75 0.00 0.00 39.64 37.68 3gr2 n ILE 291 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gr2 h ALA 292 N -0.72 2.15 -0.06 -1.39 0.00 -0.73 -1.89 119.26 116.63 3gr2 h ALA 292 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gr2 h ALA 292 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gr2 h ALA 292 CO -0.25 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.07 3gr2 n LEU 293 N -4.48 2.81 -4.85 0.00 4.77 -0.75 -4.56 117.00 109.95 3gr2 n LEU 293 Ca 0.03 -1.06 -0.32 0.00 -0.03 0.00 0.00 56.01 54.62 3gr2 n LEU 293 Cb 0.29 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3gr2 n LEU 293 CO 0.35 0.50 0.41 0.00 -1.33 0.00 0.00 177.39 177.32 3gr2 s ALA 294 N -1.70 3.33 0.26 -1.18 0.00 -0.71 -4.66 121.76 117.11 3gr2 s ALA 294 Ca 0.26 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3gr2 s ALA 294 Cb 0.18 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.45 3gr2 s ALA 294 CO 0.26 0.33 1.24 0.00 0.00 0.00 0.00 175.76 177.60 3gr2 s ALA 295 N -1.99 3.48 -0.00 0.00 0.00 -1.26 -4.68 121.76 117.31 3gr2 s ALA 295 Ca 0.54 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3gr2 s ALA 295 Cb -0.10 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3gr2 s ALA 295 CO 0.18 -0.46 -0.00 1.03 0.00 0.00 0.00 175.76 176.51 3gr2 s ARG 296 N -1.03 0.05 0.33 0.00 1.81 -0.78 -4.97 118.95 114.35 3gr2 s ARG 296 Ca 0.50 0.01 -0.29 0.00 -1.72 0.00 0.00 55.73 54.24 3gr2 s ARG 296 Cb -0.36 -0.09 -0.10 0.00 -0.45 0.00 0.00 34.95 33.94 3gr2 s ARG 296 CO 0.44 -0.02 1.33 -1.25 -0.68 0.00 0.00 175.30 175.12 3gr2 s PRO 297 N 0.19 4.33 0.00 3.54 0.04 -1.26 -0.53 135.00 141.31 3gr2 s PRO 297 Ca -0.02 2.25 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3gr2 s PRO 297 Cb -0.03 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3gr2 s PRO 297 CO -0.01 -0.23 -0.02 0.14 0.04 0.00 0.00 177.00 176.92 3gr2 s VAL 298 N -1.05 3.98 -0.25 -0.36 -7.23 -0.77 -4.59 120.40 110.13 3gr2 s VAL 298 Ca 0.50 -0.67 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 3gr2 s VAL 298 Cb -0.40 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.74 3gr2 s VAL 298 CO 0.53 0.38 0.08 -0.75 -0.31 0.00 0.00 175.10 175.03 3gr2 s LYS 299 N -1.53 3.67 0.29 4.82 2.20 -0.52 -4.82 119.74 123.85 3gr2 s LYS 299 Ca 0.19 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 3gr2 s LYS 299 Cb -0.11 -3.36 -0.12 0.00 -1.51 0.00 0.00 37.83 32.73 3gr2 s LYS 299 CO 0.09 -0.20 1.56 0.00 -0.36 0.00 0.00 175.35 176.44 3gr2 n ALA 300 N 4.94 2.27 -2.98 3.13 0.00 -1.26 -1.70 120.51 124.91 3gr2 n ALA 300 Ca -0.16 0.38 -0.45 0.00 0.00 0.00 0.00 53.44 53.21 3gr2 n ALA 300 Cb 0.51 -2.43 -0.07 0.00 0.00 0.00 0.00 19.45 17.47 3gr2 n ALA 300 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gr2 s ILE 301 N -0.07 5.21 -0.35 0.00 -1.09 -0.76 -4.91 121.20 119.24 3gr2 s ILE 301 Ca 0.64 -1.17 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 3gr2 s ILE 301 Cb -0.52 -4.17 0.09 0.00 -1.58 0.00 0.00 42.46 36.28 3gr2 s ILE 301 CO 0.49 -0.64 0.07 0.42 -1.23 0.00 0.00 174.94 174.05 3gr2 s THR 302 N 1.63 2.59 0.68 2.92 -4.23 -1.26 -1.34 115.64 116.63 3gr2 s THR 302 Ca 0.04 -2.13 -0.07 0.00 -1.18 0.00 0.00 61.69 58.35 3gr2 s THR 302 Cb -0.26 -2.80 0.04 0.00 1.34 0.00 0.00 72.50 70.83 3gr2 s THR 302 CO 0.06 -0.53 1.00 -2.16 -0.54 0.00 0.00 174.62 172.45 3gr2 s PRO 303 N 1.01 2.44 0.26 3.99 0.04 -1.26 -5.09 135.00 136.39 3gr2 s PRO 303 Ca 0.07 -0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.71 3gr2 s PRO 303 Cb -0.20 -2.17 -0.13 0.00 0.04 0.00 0.00 34.50 32.04 3gr2 s PRO 303 CO -0.06 -1.10 1.37 -2.30 0.04 0.00 0.00 177.00 174.94 3gr2 n PRO 304 N -2.87 2.03 -2.39 0.56 -0.02 -0.45 -4.94 135.00 126.93 3gr2 n PRO 304 Ca 0.07 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 3gr2 n PRO 304 Cb 0.59 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 -0.33 4.00 0.89 3.45 2.01 -1.04 -4.81 115.64 119.81 3gr2 s THR 305 Ca 0.65 1.41 -0.11 0.00 0.31 0.00 0.00 61.69 63.95 3gr2 s THR 305 Cb -0.63 -3.90 0.13 0.00 0.01 0.00 0.00 72.50 68.10 3gr2 s THR 305 CO 0.53 0.06 1.13 -2.65 -0.69 0.00 0.00 174.62 173.00 3gr2 n PRO 306 N 4.51 -0.28 -1.69 4.92 -0.02 -1.26 -0.64 135.00 140.54 3gr2 n PRO 306 Ca 0.10 -0.01 -0.65 0.00 -2.02 0.00 0.00 63.50 60.93 3gr2 n PRO 306 Cb 0.46 -2.37 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3gr2 n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gr2 n ALA 307 N -3.96 -0.93 -2.63 3.55 0.00 -1.25 -4.70 120.51 110.59 3gr2 n ALA 307 Ca 0.12 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.60 3gr2 n ALA 307 Cb 0.52 -2.01 -0.07 0.00 0.00 0.00 0.00 19.45 17.89 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 3.47 5.01 0.21 0.00 1.01 -1.26 -4.96 120.40 123.88 3gr2 s VAL 308 Ca 1.05 1.06 -0.08 0.00 0.00 0.00 0.00 61.98 64.02 3gr2 s VAL 308 Cb -1.40 -3.90 0.16 0.00 0.00 0.00 0.00 36.38 31.23 3gr2 s VAL 308 CO 0.77 0.05 1.78 -0.09 0.00 0.00 0.00 175.10 177.60 3gr2 h ARG 309 N 7.89 1.19 -3.54 2.72 2.43 -1.97 -3.22 114.38 119.89 3gr2 h ARG 309 Ca -0.28 -0.21 -0.72 0.00 -0.81 0.00 0.00 59.98 57.96 3gr2 h ARG 309 Cb 1.13 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.43 3gr2 h ARG 309 CO 0.76 0.96 2.96 0.00 -1.51 0.00 0.00 179.97 183.14 3gr2 n ALA 310 N -2.43 6.06 -2.73 2.80 0.00 -1.26 -0.81 120.51 122.14 3gr2 n ALA 310 Ca 0.07 -3.93 -0.17 0.00 0.00 0.00 0.00 53.44 49.41 3gr2 n ALA 310 Cb 0.19 -3.30 -0.12 0.00 0.00 0.00 0.00 19.45 16.22 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 2.15 1.50 -0.39 0.00 0.01 -1.22 -0.86 113.70 114.90 3gr2 s SER 311 Ca 0.51 -0.58 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 3gr2 s SER 311 Cb 0.14 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.35 3gr2 s SER 311 CO -0.06 -0.09 0.66 0.86 0.41 0.00 0.00 173.24 175.02 3gr2 s TRP 312 N -1.23 3.11 -0.14 2.43 -0.11 0.75 -4.04 118.94 119.71 3gr2 s TRP 312 Ca -0.03 0.23 -0.02 0.00 1.22 0.00 0.00 56.10 57.50 3gr2 s TRP 312 Cb -0.10 -3.27 -0.02 0.00 -1.50 0.00 0.00 33.47 28.58 3gr2 s TRP 312 CO 0.02 -0.74 -0.08 0.08 -4.62 0.00 0.00 176.95 171.61 3gr2 s VAL 313 N 2.82 3.51 0.25 5.86 1.01 -0.09 -1.21 120.40 132.55 3gr2 s VAL 313 Ca 0.25 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 3gr2 s VAL 313 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3gr2 s VAL 313 CO 0.17 0.52 0.62 -1.38 0.00 0.00 0.00 175.10 175.03 3gr2 s HIS 314 N 0.24 -0.08 -0.28 5.22 -3.43 -0.30 -0.45 115.29 116.22 3gr2 s HIS 314 Ca -0.06 -0.32 -0.16 0.00 -0.80 0.00 0.00 55.06 53.72 3gr2 s HIS 314 Cb -0.15 0.53 0.10 0.00 -1.43 0.00 0.00 32.58 31.63 3gr2 s HIS 314 CO 0.04 -1.10 0.76 0.21 -2.00 0.00 0.00 174.74 172.65 3gr2 s LYS 315 N -3.92 0.63 0.41 -0.38 2.47 -0.55 -2.11 119.74 116.29 3gr2 s LYS 315 Ca 0.13 1.08 -0.09 0.00 -1.56 0.00 0.00 55.97 55.53 3gr2 s LYS 315 Cb -0.04 0.13 -0.06 0.00 -1.46 0.00 0.00 37.83 36.41 3gr2 s LYS 315 CO 0.04 -0.13 0.76 0.95 0.16 0.00 0.00 175.35 177.13 3gr2 s THR 316 N 1.53 4.82 -0.18 3.43 -4.23 -1.26 -2.21 115.64 117.55 3gr2 s THR 316 Ca -0.09 0.51 -0.16 0.00 -1.18 0.00 0.00 61.69 60.77 3gr2 s THR 316 Cb -0.05 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.09 3gr2 s THR 316 CO -0.18 -0.56 0.47 -0.83 -0.54 0.00 0.00 174.62 172.98 3gr2 s GLY 317 N -3.31 -0.36 0.02 3.99 0.00 -0.74 -3.71 107.32 103.21 3gr2 s GLY 317 Ca 0.50 1.37 -0.03 0.00 0.00 0.00 0.00 44.72 46.55 3gr2 s GLY 317 CO 0.33 1.20 0.05 0.00 0.00 0.00 0.00 173.10 174.68 3gr2 s ALA 318 N 0.33 -0.06 0.31 3.20 0.00 -1.26 0.17 121.76 124.45 3gr2 s ALA 318 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3gr2 s ALA 318 Cb -0.04 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3gr2 s ALA 318 CO -0.00 -0.19 0.01 0.25 0.00 0.00 0.00 175.76 175.82 3gr2 n THR 319 N 1.45 0.00 -0.31 0.00 -2.24 -0.77 -3.95 114.28 108.45 3gr2 n THR 319 Ca -0.23 -1.48 0.11 0.00 -2.27 0.00 0.00 64.05 60.18 3gr2 n THR 319 Cb 0.56 0.33 0.34 0.00 -2.10 0.00 0.00 70.33 69.45 3gr2 n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gr2 h GLY 320 N 0.79 1.43 -0.99 3.38 0.00 -1.98 -3.08 103.07 102.62 3gr2 h GLY 320 Ca -0.25 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3gr2 h GLY 320 CO 0.42 0.07 0.00 0.61 0.00 0.00 0.00 176.54 177.64 3gr2 n GLY 321 N -1.39 0.45 3.05 4.60 0.00 -1.26 -4.47 105.19 106.16 3gr2 n GLY 321 Ca 0.19 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.95 0.57 -0.05 1.61 0.40 -1.16 -2.02 117.98 116.38 3gr2 s PHE 322 Ca 0.16 -0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 55.94 3gr2 s PHE 322 Cb 0.10 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.30 3gr2 s PHE 322 CO 0.14 -0.12 -0.00 0.20 0.70 0.00 0.00 175.22 176.14 3gr2 s GLY 323 N -1.65 0.38 0.19 4.36 0.00 -0.70 -1.85 107.32 108.06 3gr2 s GLY 323 Ca -0.10 -0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.68 3gr2 s GLY 323 CO -0.00 0.86 -0.13 -0.56 0.00 0.00 0.00 173.10 173.27 3gr2 s SER 324 N 1.50 2.39 -0.21 1.64 0.01 0.13 -1.67 113.70 117.49 3gr2 s SER 324 Ca -0.03 -1.02 -0.21 0.00 1.31 0.00 0.00 55.95 56.01 3gr2 s SER 324 Cb -0.13 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.05 3gr2 s SER 324 CO -0.03 -0.21 0.58 -0.47 0.41 0.00 0.00 173.24 173.52 3gr2 s TYR 325 N -3.06 -0.64 -0.03 2.43 5.04 -0.53 -1.80 117.35 118.77 3gr2 s TYR 325 Ca 0.21 1.54 0.01 0.00 -2.44 0.00 0.00 57.07 56.39 3gr2 s TYR 325 Cb 0.00 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.55 3gr2 s TYR 325 CO 0.05 -0.32 -0.05 0.14 -1.34 0.00 0.00 175.55 174.04 3gr2 s VAL 326 N 0.24 0.49 -0.08 3.14 -7.23 -0.94 -0.97 120.40 115.06 3gr2 s VAL 326 Ca -0.00 -0.16 -0.08 0.00 -1.81 0.00 0.00 61.98 59.93 3gr2 s VAL 326 Cb -0.04 -0.48 0.02 0.00 0.56 0.00 0.00 36.38 36.44 3gr2 s VAL 326 CO 0.01 0.19 0.23 0.00 -0.31 0.00 0.00 175.10 175.21 3gr2 s ALA 327 N 0.53 -0.56 0.07 1.32 0.00 -0.78 -1.48 121.76 120.86 3gr2 s ALA 327 Ca -0.07 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 3gr2 s ALA 327 Cb -0.10 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.70 3gr2 s ALA 327 CO -0.00 -0.12 0.33 -0.59 0.00 0.00 0.00 175.76 175.38 3gr2 s PHE 328 N 0.01 -0.11 -0.32 0.00 -0.71 0.41 -0.55 117.98 116.71 3gr2 s PHE 328 Ca -0.01 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 3gr2 s PHE 328 Cb -0.02 0.13 0.10 0.00 -1.21 0.00 0.00 43.02 42.02 3gr2 s PHE 328 CO 0.00 -0.58 0.06 0.42 -1.34 0.00 0.00 175.22 173.79 3gr2 s ILE 329 N -3.13 1.61 0.24 -4.49 1.01 0.41 -0.91 121.20 115.94 3gr2 s ILE 329 Ca -0.01 -1.83 -0.05 0.00 0.00 0.00 0.00 60.65 58.76 3gr2 s ILE 329 Cb 0.01 -2.17 0.20 0.00 0.01 0.00 0.00 42.46 40.52 3gr2 s ILE 329 CO -0.07 -0.58 1.80 -0.65 0.00 0.00 0.00 174.94 175.44 3gr2 h PRO 330 N 7.85 0.72 -0.97 2.79 0.11 -1.69 -1.11 132.00 139.69 3gr2 h PRO 330 Ca -0.09 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 66.19 3gr2 h PRO 330 Cb 1.02 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.89 3gr2 h PRO 330 CO 0.49 0.47 0.62 1.49 -0.21 0.00 0.00 178.00 180.87 3gr2 h GLU 331 N 0.74 0.50 -0.03 1.05 4.57 -1.29 -2.48 114.58 117.64 3gr2 h GLU 331 Ca 0.39 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 3gr2 h GLU 331 Cb 0.37 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 3gr2 h GLU 331 CO -0.25 0.33 -0.04 1.63 -1.18 0.00 0.00 179.01 179.50 3gr2 n LYS 332 N -4.61 2.07 -3.95 1.92 4.76 -0.47 -4.96 118.16 112.92 3gr2 n LYS 332 Ca 0.22 -1.77 -0.29 0.00 -2.87 0.00 0.00 58.31 53.60 3gr2 n LYS 332 Cb 0.71 -1.43 0.01 0.00 -1.84 0.00 0.00 35.03 32.48 3gr2 n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gr2 n GLU 333 N 1.16 -4.64 -4.58 1.97 -0.58 -0.92 -4.55 120.64 108.48 3gr2 n GLU 333 Ca 0.13 0.53 -0.23 0.00 -0.42 0.00 0.00 57.16 57.17 3gr2 n GLU 333 Cb 0.55 -5.23 -0.16 0.00 -0.57 0.00 0.00 31.44 26.04 3gr2 n GLU 333 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3gr2 s LEU 334 N -7.13 1.86 0.25 -4.62 2.96 -1.16 -1.89 118.68 108.94 3gr2 s LEU 334 Ca 0.48 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.91 3gr2 s LEU 334 Cb -0.24 -0.72 0.03 0.00 0.50 0.00 0.00 46.19 45.76 3gr2 s LEU 334 CO 0.86 0.11 0.73 -0.83 -1.32 0.00 0.00 176.35 175.90 3gr2 s GLY 335 N 0.07 -0.18 -0.08 7.98 0.00 -0.20 -0.44 107.32 114.46 3gr2 s GLY 335 Ca -0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 44.72 44.45 3gr2 s GLY 335 CO 0.01 -0.04 0.28 -1.50 0.00 0.00 0.00 173.10 171.85 3gr2 s ILE 336 N -3.82 0.02 -0.08 0.90 2.07 0.29 -0.22 121.20 120.37 3gr2 s ILE 336 Ca 0.10 -0.14 0.03 0.00 -1.41 0.00 0.00 60.65 59.23 3gr2 s ILE 336 Cb -0.05 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.11 3gr2 s ILE 336 CO 0.04 -0.07 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.15 3gr2 s VAL 337 N -0.22 1.39 -0.20 4.00 1.01 -0.19 -1.87 120.40 124.33 3gr2 s VAL 337 Ca -0.03 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3gr2 s VAL 337 Cb -0.03 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.15 3gr2 s VAL 337 CO 0.01 0.41 -0.09 -0.04 0.00 0.00 0.00 175.10 175.39 3gr2 s MET 338 N 0.59 1.93 -0.18 2.72 -1.94 -0.14 -1.28 119.30 120.99 3gr2 s MET 338 Ca -0.16 -0.81 -0.00 0.00 -1.71 0.00 0.00 55.69 53.01 3gr2 s MET 338 Cb -0.16 -2.38 0.01 0.00 2.01 0.00 0.00 34.83 34.31 3gr2 s MET 338 CO 0.05 -0.44 -0.16 -0.51 -0.01 0.00 0.00 175.02 173.95 3gr2 s LEU 339 N 1.42 2.34 0.03 -0.03 1.43 -0.14 -1.45 118.68 122.29 3gr2 s LEU 339 Ca -0.01 -0.57 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3gr2 s LEU 339 Cb -0.16 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3gr2 s LEU 339 CO -0.08 0.01 -0.17 0.00 0.23 0.00 0.00 176.35 176.34 3gr2 s ALA 340 N 1.26 1.43 -0.48 4.21 0.00 -0.67 -1.16 121.76 126.36 3gr2 s ALA 340 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3gr2 s ALA 340 Cb -0.14 -0.28 0.30 0.00 0.00 0.00 0.00 23.12 23.01 3gr2 s ALA 340 CO -0.09 0.31 2.07 0.27 0.00 0.00 0.00 175.76 178.32 3gr2 n ASN 341 N 2.03 7.00 -3.76 0.00 6.94 -1.00 -1.72 115.26 124.76 3gr2 n ASN 341 Ca -0.17 -3.39 -0.13 0.00 -0.02 0.00 0.00 54.58 50.88 3gr2 n ASN 341 Cb 0.54 -1.04 -0.11 0.00 -2.36 0.00 0.00 39.78 36.81 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 -2.68 0.33 -0.92 -3.83 2.20 -0.86 -1.56 119.74 112.43 3gr2 s LYS 342 Ca 0.47 0.45 -0.24 0.00 -0.36 0.00 0.00 55.97 56.29 3gr2 s LYS 342 Cb 0.36 0.13 0.05 0.00 -1.51 0.00 0.00 37.83 36.86 3gr2 s LYS 342 CO -0.03 -0.06 1.36 1.21 -0.36 0.00 0.00 175.35 177.47 3gr2 s ASN 343 N 0.35 6.40 0.20 1.43 2.47 -1.25 -2.07 114.94 122.46 3gr2 s ASN 343 Ca -0.02 -1.18 0.06 0.00 0.42 0.00 0.00 52.86 52.15 3gr2 s ASN 343 Cb -0.03 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.18 3gr2 s ASN 343 CO -0.01 -1.57 0.11 -0.72 -3.72 0.00 0.00 177.10 171.18 3gr2 s TYR 344 N 5.02 3.02 0.25 0.43 -0.85 -1.26 -4.95 117.35 119.01 3gr2 s TYR 344 Ca 0.41 -0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.57 3gr2 s TYR 344 Cb -0.03 -1.42 -0.14 0.00 0.38 0.00 0.00 41.96 40.75 3gr2 s TYR 344 CO -0.02 0.53 1.27 -2.30 -1.52 0.00 0.00 175.55 173.51 3gr2 n PRO 345 N -0.55 1.77 -0.19 -3.49 -0.02 -1.26 -4.89 135.00 126.38 3gr2 n PRO 345 Ca -0.08 0.63 -0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3gr2 n PRO 345 Cb 0.56 -2.19 0.09 0.00 -0.02 0.00 0.00 33.50 31.93 3gr2 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3gr2 h ASN 346 N 3.40 -0.21 -0.29 2.55 2.35 -1.97 -2.49 115.58 118.91 3gr2 h ASN 346 Ca -0.44 0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.49 3gr2 h ASN 346 Cb 1.30 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.89 3gr2 h ASN 346 CO 0.70 -0.08 0.20 -0.65 -1.65 0.00 0.00 177.43 175.95 3gr2 h PRO 347 N 0.14 0.18 -0.43 0.81 0.11 -1.82 -0.46 132.00 130.54 3gr2 h PRO 347 Ca 0.29 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.32 3gr2 h PRO 347 Cb 0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3gr2 h PRO 347 CO -0.47 0.12 -0.05 0.00 -0.21 0.00 0.00 178.00 177.40 3gr2 h ALA 348 N 1.84 1.11 -0.03 -0.75 0.00 -1.81 -0.56 119.26 119.07 3gr2 h ALA 348 Ca 0.13 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gr2 h ALA 348 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gr2 h ALA 348 CO -0.02 0.56 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 3gr2 h ARG 349 N 0.68 0.05 -0.55 0.00 3.08 -1.08 -2.59 114.38 113.95 3gr2 h ARG 349 Ca 0.13 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3gr2 h ARG 349 Cb 0.49 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3gr2 h ARG 349 CO 0.03 0.37 0.08 0.28 -1.07 0.00 0.00 179.97 179.66 3gr2 h VAL 350 N -0.28 1.26 -0.28 2.04 2.07 -1.21 -1.18 116.25 118.68 3gr2 h VAL 350 Ca 0.01 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3gr2 h VAL 350 Cb 0.35 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3gr2 h VAL 350 CO 0.00 0.36 0.10 -0.78 0.02 0.00 0.00 177.57 177.27 3gr2 h ASP 351 N 0.81 0.11 -0.22 0.57 -0.00 -1.15 0.80 116.42 117.35 3gr2 h ASP 351 Ca 0.17 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.22 3gr2 h ASP 351 Cb 0.43 0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.76 3gr2 h ASP 351 CO 0.01 0.10 0.13 0.00 -0.00 0.00 0.00 179.24 179.48 3gr2 h ALA 352 N 1.17 0.28 -0.69 -0.78 0.00 -1.28 -1.42 119.26 116.55 3gr2 h ALA 352 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gr2 h ALA 352 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gr2 h ALA 352 CO -0.12 -0.20 0.44 0.00 0.00 0.00 0.00 179.25 179.37 3gr2 h ALA 353 N 1.03 0.88 -0.37 0.00 0.00 -0.94 -2.36 119.26 117.49 3gr2 h ALA 353 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gr2 h ALA 353 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3gr2 h ALA 353 CO -0.01 0.33 0.12 2.35 0.00 0.00 0.00 179.25 182.03 3gr2 h TRP 354 N 0.94 0.60 -0.87 0.00 2.91 -0.65 -0.67 115.95 118.22 3gr2 h TRP 354 Ca 0.25 -0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.32 3gr2 h TRP 354 Cb -0.07 -0.17 -0.08 0.00 -0.51 0.00 0.00 29.16 28.33 3gr2 h TRP 354 CO -0.02 0.58 0.50 1.96 -1.03 0.00 0.00 178.44 180.43 3gr2 h GLN 355 N 0.45 0.79 0.12 2.65 4.20 -1.04 0.73 115.11 123.00 3gr2 h GLN 355 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 3gr2 h GLN 355 Cb 0.26 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3gr2 h GLN 355 CO -0.00 0.52 -0.06 0.82 -0.67 0.00 0.00 178.83 179.44 3gr2 h ILE 356 N 0.81 1.06 -0.31 2.54 2.04 -1.15 -2.80 117.51 119.70 3gr2 h ILE 356 Ca 0.43 -1.19 -0.11 0.00 1.00 0.00 0.00 64.86 64.99 3gr2 h ILE 356 Cb 0.44 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3gr2 h ILE 356 CO -0.27 0.26 -0.28 -0.07 0.00 0.00 0.00 178.15 177.79 3gr2 h LEU 357 N -0.76 0.65 -1.09 1.44 3.38 -1.04 -2.60 115.31 115.29 3gr2 h LEU 357 Ca -0.02 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3gr2 h LEU 357 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gr2 h LEU 357 CO 0.03 0.90 -0.10 -1.13 0.09 0.00 0.00 178.44 178.23 3gr2 h ASN 358 N 0.55 0.51 0.10 -0.43 -1.24 -0.96 -0.59 115.58 113.52 3gr2 h ASN 358 Ca 0.07 -0.13 -0.09 0.00 0.71 0.00 0.00 56.30 56.86 3gr2 h ASN 358 Cb 0.76 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 3gr2 h ASN 358 CO 0.06 0.65 -0.32 0.00 -1.29 0.00 0.00 177.43 176.53 3gr2 h ALA 359 N 1.41 1.17 0.00 1.57 0.00 -1.24 -3.30 119.26 118.86 3gr2 h ALA 359 Ca 0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3gr2 h ALA 359 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gr2 h ALA 359 CO 0.03 0.54 -1.54 1.28 0.00 0.00 0.00 179.25 179.56 3gr2 n LEU 360 N -4.10 0.44 0.00 0.00 4.77 -0.97 -5.12 117.00 112.03 3gr2 n LEU 360 Ca -0.01 0.17 0.07 0.00 -0.03 0.00 0.00 56.01 56.21 3gr2 n LEU 360 Cb 0.42 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 41.94 3gr2 n LEU 360 CO 0.41 -0.05 0.63 0.00 -1.33 0.00 0.00 177.39 177.06