#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pu4 n PRO 5 N 0.00 0.10 0.12 0.00 -0.02 -1.26 -4.68 135.00 129.26 2pu4 n PRO 5 Ca 0.00 0.03 0.05 0.00 -2.02 0.00 0.00 63.50 61.56 2pu4 n PRO 5 Cb 0.00 -1.06 0.49 0.00 -0.02 0.00 0.00 33.50 32.90 2pu4 n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2pu4 h GLN 6 N 1.02 0.28 -0.81 -0.52 5.75 -2.05 -1.08 115.11 117.70 2pu4 h GLN 6 Ca -0.29 -0.03 0.14 0.00 -0.15 0.00 0.00 58.65 58.32 2pu4 h GLN 6 Cb 1.43 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.84 2pu4 h GLN 6 CO 0.57 0.24 0.39 0.37 -2.65 0.00 0.00 178.83 177.75 2pu4 h GLN 7 N 0.28 0.56 -0.00 1.69 4.15 -2.00 -0.44 115.11 119.33 2pu4 h GLN 7 Ca 0.07 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2pu4 h GLN 7 Cb 0.08 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.65 2pu4 h GLN 7 CO -0.01 0.37 -0.03 0.82 -1.93 0.00 0.00 178.83 178.05 2pu4 h ILE 8 N 0.57 1.54 -0.77 2.39 2.04 -1.56 -3.09 117.51 118.65 2pu4 h ILE 8 Ca 0.44 -1.64 0.18 0.00 1.00 0.00 0.00 64.86 64.84 2pu4 h ILE 8 Cb 0.61 2.64 -0.13 0.00 -0.74 0.00 0.00 36.82 39.20 2pu4 h ILE 8 CO -0.36 0.43 0.06 0.78 0.00 0.00 0.00 178.15 179.06 2pu4 h ASN 9 N -0.65 -0.25 0.59 1.72 2.35 -1.19 -0.99 115.58 117.16 2pu4 h ASN 9 Ca -0.00 0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2pu4 h ASN 9 Cb 0.72 0.31 0.01 0.00 0.05 0.00 0.00 38.32 39.41 2pu4 h ASN 9 CO 0.01 -0.16 -0.28 0.44 -1.65 0.00 0.00 177.43 175.79 2pu4 h ASP 10 N 0.14 -0.67 -0.33 5.81 3.32 -1.13 -1.24 116.42 122.32 2pu4 h ASP 10 Ca 0.43 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.34 2pu4 h ASP 10 Cb 0.78 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2pu4 h ASP 10 CO -0.64 -0.42 -0.28 -0.29 -1.72 0.00 0.00 179.24 175.89 2pu4 h ILE 11 N -0.88 1.27 0.24 0.35 6.09 -1.44 -1.97 117.51 121.18 2pu4 h ILE 11 Ca -0.08 -1.43 0.00 0.00 -1.37 0.00 0.00 64.86 61.98 2pu4 h ILE 11 Cb 0.64 1.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.17 2pu4 h ILE 11 CO 0.13 0.48 -0.27 0.58 -3.07 0.00 0.00 178.15 176.00 2pu4 h VAL 12 N 0.72 0.43 -0.52 2.19 2.07 -1.19 -0.88 116.25 119.06 2pu4 h VAL 12 Ca 0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2pu4 h VAL 12 Cb 0.83 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2pu4 h VAL 12 CO 0.07 0.00 0.32 0.45 0.02 0.00 0.00 177.57 178.43 2pu4 h HIS 13 N -0.55 0.69 -0.20 1.57 3.86 -1.21 0.17 115.15 119.47 2pu4 h HIS 13 Ca -0.00 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 2pu4 h HIS 13 Cb 0.52 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 2pu4 h HIS 13 CO -0.19 0.47 -0.07 0.00 0.86 0.00 0.00 177.93 179.00 2pu4 h ARG 14 N 0.70 0.31 0.00 2.45 3.08 -1.28 -3.00 114.38 116.64 2pu4 h ARG 14 Ca 0.19 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.00 2pu4 h ARG 14 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2pu4 h ARG 14 CO -0.04 0.40 -1.00 1.15 -1.07 0.00 0.00 179.97 179.42 2pu4 h THR 15 N 0.30 0.96 -0.12 2.04 2.02 -0.80 -3.41 112.91 113.90 2pu4 h THR 15 Ca 0.06 -2.09 -0.21 0.00 0.77 0.00 0.00 66.41 64.94 2pu4 h THR 15 Cb 0.33 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2pu4 h THR 15 CO 0.02 0.32 -0.78 0.40 0.37 0.00 0.00 175.52 175.85 2pu4 h ILE 16 N -1.00 1.32 -0.10 3.11 1.08 -0.78 -3.17 117.51 117.97 2pu4 h ILE 16 Ca -0.27 -2.06 0.04 0.00 -0.39 0.00 0.00 64.86 62.19 2pu4 h ILE 16 Cb 1.18 2.05 -0.05 0.00 -3.07 0.00 0.00 36.82 36.94 2pu4 h ILE 16 CO -0.16 0.64 -0.17 0.74 -0.69 0.00 0.00 178.15 178.50 2pu4 h THR 17 N 0.43 0.56 -0.99 -0.27 2.02 -1.72 -0.89 112.91 112.05 2pu4 h THR 17 Ca -0.05 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.15 2pu4 h THR 17 Cb 1.39 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 2pu4 h THR 17 CO 0.15 0.00 0.65 -0.65 0.37 0.00 0.00 175.52 176.04 2pu4 h PRO 18 N -0.23 1.27 -0.14 6.66 0.11 -1.79 -2.63 132.00 135.25 2pu4 h PRO 18 Ca 0.09 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.14 2pu4 h PRO 18 Cb 0.36 -0.29 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2pu4 h PRO 18 CO -0.23 0.84 -0.02 1.25 -0.21 0.00 0.00 178.00 179.63 2pu4 h LEU 19 N 1.31 -0.09 -0.68 2.35 5.85 -1.36 0.11 115.31 122.79 2pu4 h LEU 19 Ca 0.37 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2pu4 h LEU 19 Cb -0.10 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2pu4 h LEU 19 CO -0.10 -0.03 0.44 0.40 -0.34 0.00 0.00 178.44 178.82 2pu4 h ILE 20 N 0.02 1.18 0.12 4.05 2.04 -1.08 -0.89 117.51 122.95 2pu4 h ILE 20 Ca 0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2pu4 h ILE 20 Cb 0.09 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2pu4 h ILE 20 CO -0.13 0.18 -0.06 -0.08 0.00 0.00 0.00 178.15 178.07 2pu4 h GLU 21 N 0.93 -0.16 -0.72 2.37 4.81 -1.29 0.15 114.58 120.67 2pu4 h GLU 21 Ca 0.25 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2pu4 h GLU 21 Cb -0.08 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2pu4 h GLU 21 CO -0.05 -0.03 0.40 1.96 -0.73 0.00 0.00 179.01 180.56 2pu4 h GLN 22 N -0.25 0.99 -0.02 1.92 4.20 -0.60 -3.01 115.11 118.34 2pu4 h GLN 22 Ca -0.02 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2pu4 h GLN 22 Cb 0.20 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2pu4 h GLN 22 CO 0.03 0.72 -0.23 1.04 -0.67 0.00 0.00 178.83 179.72 2pu4 n GLN 23 N -4.37 1.68 -4.00 1.46 1.13 -0.36 -4.98 117.38 107.94 2pu4 n GLN 23 Ca 0.07 -1.34 -0.27 0.00 -1.94 0.00 0.00 57.00 53.52 2pu4 n GLN 23 Cb 0.09 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 2pu4 n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pu4 n LYS 24 N 0.51 -3.12 -2.53 -1.09 5.02 -0.05 -4.92 118.16 111.98 2pu4 n LYS 24 Ca 0.12 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 56.36 2pu4 n LYS 24 Cb 0.51 -4.50 -0.02 0.00 -0.02 0.00 0.00 35.03 30.99 2pu4 n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pu4 s ILE 25 N -3.94 4.42 0.19 -0.18 1.01 -0.63 -4.95 121.20 117.12 2pu4 s ILE 25 Ca 0.06 1.73 -0.10 0.00 0.00 0.00 0.00 60.65 62.34 2pu4 s ILE 25 Cb -0.03 -4.11 0.10 0.00 0.01 0.00 0.00 42.46 38.42 2pu4 s ILE 25 CO 0.90 -0.05 1.74 -0.65 0.00 0.00 0.00 174.94 176.88 2pu4 h PRO 26 N 7.52 1.01 -2.34 2.79 0.11 -1.89 -3.47 132.00 135.73 2pu4 h PRO 26 Ca -0.30 -0.20 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2pu4 h PRO 26 Cb 1.14 -0.16 -0.20 0.00 0.11 0.00 0.00 31.00 31.89 2pu4 h PRO 26 CO 0.90 0.86 0.02 0.20 -0.21 0.00 0.00 178.00 179.77 2pu4 s GLY 27 N -3.26 -0.44 -0.21 -0.55 0.00 -1.25 -1.49 107.32 100.13 2pu4 s GLY 27 Ca -0.13 1.15 -0.18 0.00 0.00 0.00 0.00 44.72 45.56 2pu4 s GLY 27 CO 0.82 0.86 0.54 -0.29 0.00 0.00 0.00 173.10 175.03 2pu4 s MET 28 N -0.86 0.62 -0.01 2.90 1.75 -0.42 -2.30 119.30 120.99 2pu4 s MET 28 Ca -0.09 0.79 0.05 0.00 -1.25 0.00 0.00 55.69 55.19 2pu4 s MET 28 Cb -0.02 0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.91 2pu4 s MET 28 CO 0.06 -0.09 -0.17 0.00 -0.65 0.00 0.00 175.02 174.17 2pu4 s ALA 29 N 0.44 1.44 -0.03 4.11 0.00 -0.32 -0.39 121.76 127.01 2pu4 s ALA 29 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.21 2pu4 s ALA 29 Cb -0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 2pu4 s ALA 29 CO -0.01 0.35 -0.12 0.08 0.00 0.00 0.00 175.76 176.05 2pu4 s VAL 30 N -0.46 1.02 -0.10 0.00 1.01 0.11 -0.79 120.40 121.19 2pu4 s VAL 30 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2pu4 s VAL 30 Cb -0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2pu4 s VAL 30 CO -0.00 0.31 -0.18 0.00 0.00 0.00 0.00 175.10 175.23 2pu4 s ALA 31 N 0.09 2.45 -0.19 5.51 0.00 -0.20 -1.65 121.76 127.77 2pu4 s ALA 31 Ca -0.02 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.93 2pu4 s ALA 31 Cb -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 2pu4 s ALA 31 CO 0.01 0.33 0.03 0.08 0.00 0.00 0.00 175.76 176.21 2pu4 s VAL 32 N 0.11 4.43 -0.39 0.00 1.01 -0.23 -1.16 120.40 124.17 2pu4 s VAL 32 Ca -0.08 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2pu4 s VAL 32 Cb -0.15 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2pu4 s VAL 32 CO 0.05 0.45 0.37 -0.63 0.00 0.00 0.00 175.10 175.33 2pu4 s ILE 33 N 0.62 5.17 -0.11 2.22 1.09 0.42 -0.94 121.20 129.67 2pu4 s ILE 33 Ca 0.02 -0.27 0.02 0.00 -1.10 0.00 0.00 60.65 59.31 2pu4 s ILE 33 Cb -0.13 -3.92 0.01 0.00 -1.06 0.00 0.00 42.46 37.36 2pu4 s ILE 33 CO 0.02 -0.25 -0.17 -0.47 -0.10 0.00 0.00 174.94 173.97 2pu4 s TYR 34 N 1.97 2.09 -1.55 3.97 5.04 0.12 -1.29 117.35 127.70 2pu4 s TYR 34 Ca 0.10 -0.98 -0.07 0.00 -2.44 0.00 0.00 57.07 53.68 2pu4 s TYR 34 Cb -0.17 -1.48 0.06 0.00 0.35 0.00 0.00 41.96 40.71 2pu4 s TYR 34 CO 0.12 -0.48 0.45 1.04 -1.34 0.00 0.00 175.55 175.33 2pu4 n GLN 35 N 4.10 -2.59 -0.11 4.97 6.02 -1.10 -1.59 117.38 127.08 2pu4 n GLN 35 Ca -0.19 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 2pu4 n GLN 35 Cb 0.51 -4.50 0.00 0.00 1.02 0.00 0.00 30.24 27.27 2pu4 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pu4 n GLY 36 N -1.89 2.72 3.61 1.08 0.00 -0.99 -5.02 105.19 104.70 2pu4 n GLY 36 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2pu4 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu4 s LYS 37 N -0.02 2.72 0.08 1.61 1.02 -0.62 -4.97 119.74 119.56 2pu4 s LYS 37 Ca 0.00 -0.59 -0.18 0.00 0.02 0.00 0.00 55.97 55.22 2pu4 s LYS 37 Cb 0.00 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.64 2pu4 s LYS 37 CO 0.00 0.65 0.55 -1.25 -0.92 0.00 0.00 175.35 174.37 2pu4 s PRO 38 N -1.10 4.13 -0.03 -1.68 0.04 -1.26 -0.70 135.00 134.40 2pu4 s PRO 38 Ca 0.15 0.66 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2pu4 s PRO 38 Cb -0.11 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2pu4 s PRO 38 CO 0.04 0.62 -0.04 0.71 0.04 0.00 0.00 177.00 178.37 2pu4 s TYR 39 N -1.17 0.63 0.15 0.56 1.51 -0.11 -4.99 117.35 113.92 2pu4 s TYR 39 Ca 0.30 -0.15 0.09 0.00 -1.01 0.00 0.00 57.07 56.30 2pu4 s TYR 39 Cb -0.18 -0.54 -0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2pu4 s TYR 39 CO 0.18 -0.13 -0.14 0.71 -1.11 0.00 0.00 175.55 175.07 2pu4 s TYR 40 N 0.63 2.59 -0.13 2.71 2.02 -1.26 -1.07 117.35 122.83 2pu4 s TYR 40 Ca -0.08 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.29 2pu4 s TYR 40 Cb -0.11 -1.31 0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2pu4 s TYR 40 CO -0.00 0.46 0.33 -0.06 -1.57 0.00 0.00 175.55 174.71 2pu4 s PHE 41 N -1.44 -0.43 0.06 2.71 0.40 -0.66 -4.97 117.98 113.66 2pu4 s PHE 41 Ca 0.22 0.99 0.05 0.00 -0.60 0.00 0.00 56.93 57.59 2pu4 s PHE 41 Cb -0.10 0.15 -0.03 0.00 0.51 0.00 0.00 43.02 43.56 2pu4 s PHE 41 CO 0.13 -0.25 -0.15 0.95 0.70 0.00 0.00 175.22 176.60 2pu4 s THR 42 N 0.88 1.18 0.02 0.64 -4.23 -1.26 -0.71 115.64 112.15 2pu4 s THR 42 Ca -0.06 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.24 2pu4 s THR 42 Cb -0.07 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 2pu4 s THR 42 CO -0.06 -0.13 -0.05 0.26 -0.54 0.00 0.00 174.62 174.11 2pu4 s TRP 43 N -1.11 0.39 0.00 3.99 0.51 0.47 -5.00 118.94 118.19 2pu4 s TRP 43 Ca 0.00 -0.37 0.00 0.00 -2.12 0.00 0.00 56.10 53.61 2pu4 s TRP 43 Cb -0.09 -0.25 0.00 0.00 -0.81 0.00 0.00 33.47 32.32 2pu4 s TRP 43 CO 0.02 -0.10 0.00 0.41 -0.51 0.00 0.00 176.95 176.77 2pu4 n GLY 44 N 1.98 0.31 3.12 0.98 0.00 -1.26 -1.30 105.19 109.02 2pu4 n GLY 44 Ca -0.20 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 2pu4 n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pu4 s TYR 45 N 0.00 2.31 0.15 1.61 1.51 -0.56 -0.30 117.35 122.07 2pu4 s TYR 45 Ca 0.00 -1.09 -0.02 0.00 -1.01 0.00 0.00 57.07 54.94 2pu4 s TYR 45 Cb 0.00 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 2pu4 s TYR 45 CO 0.00 -0.51 1.36 0.00 -1.11 0.00 0.00 175.55 175.28 2pu4 h ALA 46 N 7.26 0.46 -3.03 3.71 0.00 -1.01 -3.31 119.26 123.35 2pu4 h ALA 46 Ca -0.30 -0.68 -0.49 0.00 0.00 0.00 0.00 54.91 53.44 2pu4 h ALA 46 Cb 1.19 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 2pu4 h ALA 46 CO 0.51 0.82 -0.76 0.34 0.00 0.00 0.00 179.25 180.16 2pu4 s ASP 47 N -7.02 2.72 0.04 0.00 -1.08 -1.06 -1.09 116.67 109.18 2pu4 s ASP 47 Ca -0.05 -0.81 -0.23 0.00 -0.52 0.00 0.00 52.55 50.93 2pu4 s ASP 47 Cb 0.10 -0.34 -0.15 0.00 -1.46 0.00 0.00 42.92 41.07 2pu4 s ASP 47 CO 0.85 -0.36 1.48 0.40 0.52 0.00 0.00 175.17 178.05 2pu4 h ILE 48 N 6.43 1.24 -0.73 4.11 2.04 -1.84 0.53 117.51 129.30 2pu4 h ILE 48 Ca -0.16 -0.74 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2pu4 h ILE 48 Cb 1.11 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 2pu4 h ILE 48 CO 0.33 0.20 0.44 0.00 0.00 0.00 0.00 178.15 179.13 2pu4 h ALA 49 N 0.74 0.97 -0.41 1.87 0.00 -1.97 -2.15 119.26 118.30 2pu4 h ALA 49 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2pu4 h ALA 49 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pu4 h ALA 49 CO 0.00 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.06 2pu4 n LYS 50 N -4.69 2.15 -3.75 0.00 5.02 -1.22 -4.94 118.16 110.72 2pu4 n LYS 50 Ca 0.09 -1.76 -0.29 0.00 -2.02 0.00 0.00 58.31 54.33 2pu4 n LYS 50 Cb 0.13 -1.42 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2pu4 n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pu4 n LYS 51 N 0.94 -4.83 -3.06 1.97 5.02 -0.51 -4.95 118.16 112.75 2pu4 n LYS 51 Ca 0.17 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.64 2pu4 n LYS 51 Cb 0.44 -5.42 -0.05 0.00 -0.02 0.00 0.00 35.03 29.98 2pu4 n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2pu4 s GLN 52 N -6.45 4.21 0.55 1.97 -1.52 0.06 -4.99 119.66 113.48 2pu4 s GLN 52 Ca 0.59 0.70 -0.18 0.00 -1.95 0.00 0.00 55.36 54.53 2pu4 s GLN 52 Cb -0.30 -3.59 -0.06 0.00 -0.22 0.00 0.00 33.01 28.84 2pu4 s GLN 52 CO 0.73 -0.30 1.05 -1.25 -0.25 0.00 0.00 175.29 175.26 2pu4 s PRO 53 N 2.12 3.53 0.18 2.91 0.04 -1.26 -0.57 135.00 141.95 2pu4 s PRO 53 Ca 0.30 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 2pu4 s PRO 53 Cb -0.16 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 2pu4 s PRO 53 CO 0.10 -0.64 1.50 0.08 0.04 0.00 0.00 177.00 178.08 2pu4 s VAL 54 N -2.25 2.75 0.41 -0.36 1.01 0.58 -4.22 120.40 118.33 2pu4 s VAL 54 Ca 0.65 0.56 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2pu4 s VAL 54 Cb -0.16 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2pu4 s VAL 54 CO 0.30 0.06 0.10 0.42 0.00 0.00 0.00 175.10 175.97 2pu4 s THR 55 N 0.82 0.79 -1.15 3.92 -4.23 -1.26 -4.70 115.64 109.83 2pu4 s THR 55 Ca 0.66 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.32 2pu4 s THR 55 Cb -0.42 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.20 2pu4 s THR 55 CO 0.34 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.87 2pu4 n GLN 56 N -0.94 0.07 -0.03 3.99 6.02 -1.26 -2.12 117.38 123.12 2pu4 n GLN 56 Ca -0.07 0.22 0.10 0.00 -0.01 0.00 0.00 57.00 57.23 2pu4 n GLN 56 Cb 0.65 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.52 2pu4 n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pu4 n GLN 57 N -1.43 1.94 -2.39 -1.09 3.00 -1.26 -4.12 117.38 112.03 2pu4 n GLN 57 Ca 0.05 -1.80 -0.42 0.00 -0.01 0.00 0.00 57.00 54.82 2pu4 n GLN 57 Cb 0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 30.24 28.96 2pu4 n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2pu4 s THR 58 N -1.65 3.87 -0.05 5.09 2.01 -0.90 -4.85 115.64 119.16 2pu4 s THR 58 Ca 0.26 1.38 -0.21 0.00 0.31 0.00 0.00 61.69 63.43 2pu4 s THR 58 Cb 0.18 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2pu4 s THR 58 CO 0.26 0.13 0.59 -0.76 -0.69 0.00 0.00 174.62 174.15 2pu4 s LEU 59 N 0.81 4.36 0.17 4.42 1.43 0.53 -4.18 118.68 126.22 2pu4 s LEU 59 Ca 0.58 1.08 0.09 0.00 -1.03 0.00 0.00 54.13 54.85 2pu4 s LEU 59 Cb -0.31 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2pu4 s LEU 59 CO 0.31 0.03 -0.09 -0.36 0.23 0.00 0.00 176.35 176.46 2pu4 s PHE 60 N 0.24 2.66 -0.08 0.29 0.40 -0.55 -1.73 117.98 119.22 2pu4 s PHE 60 Ca 0.31 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.14 2pu4 s PHE 60 Cb -0.17 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 2pu4 s PHE 60 CO 0.16 0.49 1.05 -1.21 0.70 0.00 0.00 175.22 176.41 2pu4 s GLU 61 N -2.71 4.42 0.40 0.44 2.02 -1.26 -2.15 118.70 119.86 2pu4 s GLU 61 Ca 0.24 1.47 0.22 0.00 0.02 0.00 0.00 54.97 56.92 2pu4 s GLU 61 Cb -0.09 -3.53 0.28 0.00 0.10 0.00 0.00 34.13 30.89 2pu4 s GLU 61 CO 0.15 -0.31 1.54 -0.07 0.02 0.00 0.00 175.26 176.58 2pu4 h LEU 62 N 7.89 0.00 0.00 1.80 3.38 -1.58 -3.43 115.31 123.36 2pu4 h LEU 62 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2pu4 h LEU 62 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2pu4 h LEU 62 CO 0.85 0.04 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2pu4 n GLY 63 N 1.12 2.33 0.06 0.83 0.00 -1.24 -2.50 105.19 105.79 2pu4 n GLY 63 Ca 0.03 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.63 2pu4 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2pu4 n SER 64 N 2.04 0.27 0.30 1.61 7.64 -1.26 -1.70 113.62 122.53 2pu4 n SER 64 Ca 0.00 0.59 0.16 0.00 1.01 0.00 0.00 58.87 60.63 2pu4 n SER 64 Cb 0.00 -0.64 0.94 0.00 -1.01 0.00 0.00 64.21 63.51 2pu4 n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2pu4 h VAL 65 N 0.00 0.46 -1.12 0.44 2.07 -1.57 0.36 116.25 116.89 2pu4 h VAL 65 Ca 0.00 -0.05 0.31 0.00 0.82 0.00 0.00 66.70 67.78 2pu4 h VAL 65 Cb 0.19 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2pu4 h VAL 65 CO 0.00 0.01 0.74 0.28 0.02 0.00 0.00 177.57 178.62 2pu4 h SER 66 N 0.00 0.32 -0.32 0.57 0.02 -1.51 -2.11 113.55 110.51 2pu4 h SER 66 Ca -0.00 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.12 2pu4 h SER 66 Cb 0.03 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2pu4 h SER 66 CO 0.00 0.02 0.25 0.11 -1.14 0.00 0.00 176.83 176.08 2pu4 h LYS 67 N 0.26 0.00 -0.46 3.45 1.57 -1.06 -1.97 116.57 118.35 2pu4 h LYS 67 Ca 0.63 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.30 2pu4 h LYS 67 Cb 1.85 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 2pu4 h LYS 67 CO -0.26 0.00 -0.13 1.79 -0.57 0.00 0.00 179.45 180.28 2pu4 h THR 68 N 0.00 1.26 -0.28 -0.16 1.35 -1.56 0.22 112.91 113.74 2pu4 h THR 68 Ca 0.15 -1.23 -0.04 0.00 -0.55 0.00 0.00 66.41 64.74 2pu4 h THR 68 Cb 0.65 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2pu4 h THR 68 CO -0.00 0.42 0.01 -0.26 -0.25 0.00 0.00 175.52 175.44 2pu4 h PHE 69 N 0.76 0.53 -0.23 4.73 0.04 -1.51 -2.35 116.94 118.92 2pu4 h PHE 69 Ca 0.12 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.84 2pu4 h PHE 69 Cb 0.64 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.62 2pu4 h PHE 69 CO 0.04 0.63 0.01 1.15 -0.60 0.00 0.00 178.31 179.53 2pu4 h THR 70 N 0.28 0.85 -0.53 -1.55 2.02 -1.29 -0.38 112.91 112.32 2pu4 h THR 70 Ca 0.08 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.30 2pu4 h THR 70 Cb 0.41 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 2pu4 h THR 70 CO 0.01 0.02 0.21 1.23 0.37 0.00 0.00 175.52 177.36 2pu4 h GLY 71 N 0.09 0.73 1.10 2.16 0.00 -0.55 -0.84 103.07 105.76 2pu4 h GLY 71 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2pu4 h GLY 71 CO -0.17 0.03 -0.15 -2.08 0.00 0.00 0.00 176.54 174.17 2pu4 h VAL 72 N 0.41 1.27 -0.81 4.60 2.07 -1.21 0.42 116.25 123.00 2pu4 h VAL 72 Ca 0.26 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2pu4 h VAL 72 Cb 0.26 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2pu4 h VAL 72 CO -0.24 0.46 0.42 0.25 0.02 0.00 0.00 177.57 178.48 2pu4 h LEU 73 N 0.89 1.02 -0.24 2.57 5.85 -0.80 0.13 115.31 124.72 2pu4 h LEU 73 Ca 0.13 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 2pu4 h LEU 73 Cb 0.73 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2pu4 h LEU 73 CO 0.06 0.83 0.00 1.23 -0.34 0.00 0.00 178.44 180.22 2pu4 h GLY 74 N 1.16 0.45 0.67 3.75 0.00 -0.96 -2.14 103.07 106.00 2pu4 h GLY 74 Ca 0.28 -0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.39 2pu4 h GLY 74 CO -0.04 0.30 0.59 -1.33 0.00 0.00 0.00 176.54 176.06 2pu4 h GLY 75 N 0.19 1.37 1.03 4.60 0.00 -0.56 -0.92 103.07 108.79 2pu4 h GLY 75 Ca 0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2pu4 h GLY 75 CO 0.01 0.21 0.18 -1.80 0.00 0.00 0.00 176.54 175.13 2pu4 h ASP 76 N 0.93 0.97 0.13 0.19 3.58 -0.56 -1.55 116.42 120.11 2pu4 h ASP 76 Ca 0.43 -0.22 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 2pu4 h ASP 76 Cb 0.41 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2pu4 h ASP 76 CO -0.19 0.94 -0.38 0.00 -2.88 0.00 0.00 179.24 176.73 2pu4 h ALA 77 N 1.07 1.06 0.17 -0.78 0.00 -0.69 -0.49 119.26 119.60 2pu4 h ALA 77 Ca 0.21 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2pu4 h ALA 77 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pu4 h ALA 77 CO -0.00 0.59 -0.08 0.82 0.00 0.00 0.00 179.25 180.58 2pu4 h ILE 78 N 0.29 0.88 -0.48 0.00 2.04 -1.03 -0.71 117.51 118.49 2pu4 h ILE 78 Ca 0.03 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.76 2pu4 h ILE 78 Cb 0.80 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2pu4 h ILE 78 CO 0.06 0.05 0.33 0.00 0.00 0.00 0.00 178.15 178.59 2pu4 h ALA 79 N 0.48 2.06 0.00 1.87 0.00 -1.05 0.26 119.26 122.88 2pu4 h ALA 79 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pu4 h ALA 79 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pu4 h ALA 79 CO 0.04 -0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.66 2pu4 n ARG 80 N -4.46 0.07 -1.01 0.00 1.74 -0.21 -4.91 116.66 107.87 2pu4 n ARG 80 Ca 0.07 0.20 -0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2pu4 n ARG 80 Cb 0.34 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2pu4 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pu4 n GLY 81 N 0.65 0.47 0.08 -0.13 0.00 0.08 -4.94 105.19 101.40 2pu4 n GLY 81 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2pu4 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pu4 h GLU 82 N 0.51 0.07 -4.33 1.61 5.08 -1.32 -3.47 114.58 112.73 2pu4 h GLU 82 Ca -0.01 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 2pu4 h GLU 82 Cb 0.05 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.20 2pu4 h GLU 82 CO 0.01 0.98 -0.68 0.96 -1.00 0.00 0.00 179.01 179.28 2pu4 s ILE 83 N -2.68 0.30 -0.03 3.13 -4.36 -1.17 -4.82 121.20 111.58 2pu4 s ILE 83 Ca -0.02 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 2pu4 s ILE 83 Cb 0.09 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 2pu4 s ILE 83 CO 0.83 -0.94 -0.16 -0.54 0.24 0.00 0.00 174.94 174.38 2pu4 s LYS 84 N -3.91 1.46 0.62 0.37 1.02 -1.26 -4.28 119.74 113.75 2pu4 s LYS 84 Ca 0.09 -0.55 0.37 0.00 0.02 0.00 0.00 55.97 55.89 2pu4 s LYS 84 Cb 0.07 -1.33 2.03 0.00 -0.52 0.00 0.00 37.83 38.08 2pu4 s LYS 84 CO -0.08 0.27 2.27 -0.07 -0.92 0.00 0.00 175.35 176.82 2pu4 h LEU 85 N 6.03 0.00 0.00 3.17 3.38 -1.98 -0.87 115.31 125.04 2pu4 h LEU 85 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2pu4 h LEU 85 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2pu4 h LEU 85 CO 0.48 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.49 2pu4 n SER 86 N -3.40 0.00 -4.76 -0.43 3.41 -1.26 -1.21 113.62 105.98 2pu4 n SER 86 Ca -0.03 -0.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.84 2pu4 n SER 86 Cb 0.12 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2pu4 n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2pu4 s ASP 87 N -2.39 7.49 0.33 4.04 1.01 -0.33 -4.86 116.67 121.96 2pu4 s ASP 87 Ca 0.31 2.02 -0.29 0.00 0.71 0.00 0.00 52.55 55.30 2pu4 s ASP 87 Cb 0.18 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.39 2pu4 s ASP 87 CO 0.38 0.04 1.46 -2.65 0.21 0.00 0.00 175.17 174.61 2pu4 n PRO 88 N 1.25 2.48 -0.31 8.23 -0.02 -1.26 -1.06 135.00 144.31 2pu4 n PRO 88 Ca -0.01 0.88 0.14 0.00 -2.02 0.00 0.00 63.50 62.49 2pu4 n PRO 88 Cb 0.47 -2.58 0.31 0.00 -0.02 0.00 0.00 33.50 31.68 2pu4 n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2pu4 h THR 89 N 2.97 0.20 0.00 3.45 2.02 -1.43 -2.43 112.91 117.70 2pu4 h THR 89 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2pu4 h THR 89 Cb 1.25 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2pu4 h THR 89 CO 0.69 0.02 0.00 0.71 0.37 0.00 0.00 175.52 177.31 2pu4 h THR 90 N 0.12 0.00 -0.77 3.16 1.35 -1.83 -2.58 112.91 112.36 2pu4 h THR 90 Ca 0.58 -0.30 0.16 0.00 -0.55 0.00 0.00 66.41 66.29 2pu4 h THR 90 Cb 1.21 1.22 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 2pu4 h THR 90 CO -0.74 0.00 0.52 0.50 -0.25 0.00 0.00 175.52 175.54 2pu4 h LYS 91 N 0.00 0.38 -0.05 4.72 3.64 -1.81 -2.73 116.57 120.72 2pu4 h LYS 91 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pu4 h LYS 91 Cb 0.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2pu4 h LYS 91 CO 0.00 0.25 0.00 0.66 -2.27 0.00 0.00 179.45 178.09 2pu4 n TYR 92 N -4.48 0.05 -3.21 1.91 4.02 -0.98 -4.64 117.16 109.83 2pu4 n TYR 92 Ca 0.15 -0.04 -0.23 0.00 -0.01 0.00 0.00 57.90 57.76 2pu4 n TYR 92 Cb 0.57 -0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.81 2pu4 n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 2pu4 n TRP 93 N 0.70 -0.79 0.32 -0.72 -0.00 -1.04 -4.99 117.44 110.92 2pu4 n TRP 93 Ca 0.08 -3.33 0.20 0.00 -0.00 0.00 0.00 57.50 54.44 2pu4 n TRP 93 Cb 0.32 -0.02 1.08 0.00 -0.00 0.00 0.00 31.31 32.69 2pu4 n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2pu4 h PRO 94 N 4.49 0.00 0.00 5.87 0.13 -1.80 -0.96 132.00 139.73 2pu4 h PRO 94 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2pu4 h PRO 94 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2pu4 h PRO 94 CO 0.42 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 2pu4 h GLU 95 N 0.00 0.00 -6.06 0.86 3.07 -1.95 -3.40 114.58 107.11 2pu4 h GLU 95 Ca 0.01 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.27 2pu4 h GLU 95 Cb 0.15 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.96 2pu4 h GLU 95 CO -0.00 0.00 1.56 -1.17 -1.40 0.00 0.00 179.01 178.00 2pu4 s LEU 96 N -5.29 3.53 0.00 1.33 2.96 -0.37 -4.81 118.68 116.04 2pu4 s LEU 96 Ca 0.06 -1.55 0.23 0.00 -0.22 0.00 0.00 54.13 52.65 2pu4 s LEU 96 Cb 0.09 -2.57 0.19 0.00 0.50 0.00 0.00 46.19 44.40 2pu4 s LEU 96 CO 0.55 -1.52 1.24 0.35 -1.32 0.00 0.00 176.35 175.65 2pu4 n THR 97 N 6.87 0.02 -1.92 3.68 -2.24 -1.26 -4.86 114.28 114.58 2pu4 n THR 97 Ca 0.35 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 2pu4 n THR 97 Cb 0.50 1.46 -0.01 0.00 -2.10 0.00 0.00 70.33 70.18 2pu4 n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pu4 s ALA 98 N -1.90 3.59 -0.05 6.98 0.00 -1.26 -4.91 121.76 124.21 2pu4 s ALA 98 Ca 0.27 1.45 0.21 0.00 0.00 0.00 0.00 51.96 53.90 2pu4 s ALA 98 Cb 0.19 -3.57 0.56 0.00 0.00 0.00 0.00 23.12 20.30 2pu4 s ALA 98 CO 0.29 -0.88 1.67 0.87 0.00 0.00 0.00 175.76 177.71 2pu4 h LYS 99 N 3.75 0.00 0.00 0.00 6.56 -1.93 -2.86 116.57 122.09 2pu4 h LYS 99 Ca -0.49 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 2pu4 h LYS 99 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2pu4 h LYS 99 CO 0.69 0.28 0.00 -0.56 -2.06 0.00 0.00 179.45 177.80 2pu4 h GLN 100 N 0.00 0.00 0.00 3.15 -0.00 -1.93 -2.68 115.11 113.65 2pu4 h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2pu4 h GLN 100 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.47 2pu4 h GLN 100 CO 0.04 0.00 0.00 -1.49 -0.00 0.00 0.00 178.83 177.38 2pu4 h TRP 101 N 0.00 0.00 -2.39 0.06 4.06 -1.89 -3.44 115.95 112.35 2pu4 h TRP 101 Ca 0.00 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.42 2pu4 h TRP 101 Cb 0.29 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.46 2pu4 h TRP 101 CO 0.00 0.00 1.22 -0.80 -3.56 0.00 0.00 178.44 175.30 2pu4 s ASN 102 N -5.41 6.46 0.00 -3.49 -0.87 -1.01 -1.02 114.94 109.60 2pu4 s ASN 102 Ca 0.05 2.64 0.00 0.00 -1.57 0.00 0.00 52.86 53.98 2pu4 s ASN 102 Cb 0.08 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 2pu4 s ASN 102 CO 0.57 -1.05 0.00 0.61 -2.57 0.00 0.00 177.10 174.66 2pu4 n GLY 103 N 4.52 0.33 3.50 0.66 0.00 -1.26 -5.04 105.19 107.89 2pu4 n GLY 103 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2pu4 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pu4 s ILE 104 N -2.10 4.88 0.54 -0.61 1.01 -0.19 -4.89 121.20 119.83 2pu4 s ILE 104 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2pu4 s ILE 104 Cb 0.00 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.31 2pu4 s ILE 104 CO 0.00 -0.61 0.75 0.42 0.00 0.00 0.00 174.94 175.50 2pu4 s THR 105 N 2.67 2.66 0.42 2.92 -4.23 -1.26 -1.22 115.64 117.60 2pu4 s THR 105 Ca 0.19 -0.74 0.12 0.00 -1.18 0.00 0.00 61.69 60.08 2pu4 s THR 105 Cb -0.16 -2.92 0.32 0.00 1.34 0.00 0.00 72.50 71.08 2pu4 s THR 105 CO 0.17 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 176.14 2pu4 h LEU 106 N 0.14 0.43 -0.18 4.79 3.38 -1.07 -1.98 115.31 120.81 2pu4 h LEU 106 Ca -0.41 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.62 2pu4 h LEU 106 Cb 1.29 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2pu4 h LEU 106 CO 0.49 0.26 -0.09 0.25 0.09 0.00 0.00 178.44 179.44 2pu4 h LEU 107 N 0.48 -0.31 -0.38 1.67 5.85 -1.44 -1.00 115.31 120.18 2pu4 h LEU 107 Ca 0.29 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.13 2pu4 h LEU 107 Cb 0.51 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2pu4 h LEU 107 CO -0.09 -0.12 0.12 0.45 -0.34 0.00 0.00 178.44 178.46 2pu4 h HIS 108 N -0.08 0.22 -0.18 1.25 3.86 -1.65 -1.61 115.15 116.96 2pu4 h HIS 108 Ca 0.10 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2pu4 h HIS 108 Cb 0.23 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 2pu4 h HIS 108 CO -0.24 0.08 0.12 -0.07 0.86 0.00 0.00 177.93 178.67 2pu4 h LEU 109 N 0.27 0.21 -1.86 2.43 3.38 -1.36 0.11 115.31 118.49 2pu4 h LEU 109 Ca 0.18 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2pu4 h LEU 109 Cb 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2pu4 h LEU 109 CO -0.19 0.17 -0.08 0.00 0.09 0.00 0.00 178.44 178.43 2pu4 h ALA 110 N 1.05 1.84 0.00 1.53 0.00 -0.60 -2.53 119.26 120.55 2pu4 h ALA 110 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pu4 h ALA 110 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2pu4 h ALA 110 CO -0.01 0.10 -0.00 0.25 0.00 0.00 0.00 179.25 179.59 2pu4 n THR 111 N -4.41 1.18 -2.12 0.00 -2.24 -0.66 -4.45 114.28 101.59 2pu4 n THR 111 Ca -0.03 -1.26 -0.11 0.00 -2.27 0.00 0.00 64.05 60.38 2pu4 n THR 111 Cb 0.16 0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 2pu4 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pu4 n TYR 112 N -0.70 -0.46 -1.23 4.78 4.01 -0.77 -4.82 117.16 117.98 2pu4 n TYR 112 Ca 0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2pu4 n TYR 112 Cb 0.33 -2.46 0.19 0.00 -0.31 0.00 0.00 39.34 37.09 2pu4 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2pu4 n THR 113 N -3.89 2.13 0.20 -0.72 -2.24 0.30 -1.60 114.28 108.46 2pu4 n THR 113 Ca -0.12 -2.49 0.07 0.00 -2.27 0.00 0.00 64.05 59.23 2pu4 n THR 113 Cb 0.57 -0.25 0.41 0.00 -2.10 0.00 0.00 70.33 68.95 2pu4 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pu4 h ALA 114 N 0.71 1.07 0.00 6.98 0.00 -1.78 0.52 119.26 126.75 2pu4 h ALA 114 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pu4 h ALA 114 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2pu4 h ALA 114 CO 0.10 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.16 2pu4 n GLY 115 N 0.04 1.31 0.00 0.00 0.00 -1.26 -4.03 105.19 101.24 2pu4 n GLY 115 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2pu4 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pu4 n GLY 116 N 0.00 1.22 3.60 -0.02 0.00 -1.26 -0.33 105.19 108.41 2pu4 n GLY 116 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2pu4 n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pu4 n LEU 117 N 0.00 2.09 -4.81 0.99 4.77 -1.26 -4.80 117.00 113.98 2pu4 n LEU 117 Ca 0.00 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 2pu4 n LEU 117 Cb 0.00 -1.32 0.09 0.00 -2.33 0.00 0.00 43.42 39.86 2pu4 n LEU 117 CO 0.00 -1.32 0.72 -2.16 -1.33 0.00 0.00 177.39 173.30 2pu4 s PRO 118 N -1.66 2.17 0.15 3.23 0.04 -1.26 -4.77 135.00 132.90 2pu4 s PRO 118 Ca 0.59 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 2pu4 s PRO 118 Cb -0.66 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 31.97 2pu4 s PRO 118 CO 0.60 -1.56 1.79 1.25 0.04 0.00 0.00 177.00 179.13 2pu4 h LEU 119 N -1.04 0.35 -9.12 -3.56 5.85 -1.91 -3.25 115.31 102.63 2pu4 h LEU 119 Ca -0.47 0.00 -0.68 0.00 0.84 0.00 0.00 57.88 57.58 2pu4 h LEU 119 Cb 1.27 -0.07 -0.19 0.00 0.37 0.00 0.00 40.66 42.04 2pu4 h LEU 119 CO 0.60 0.26 -0.73 -1.10 -0.34 0.00 0.00 178.44 177.13 2pu4 s GLN 120 N -6.16 2.47 0.19 1.25 -1.52 -1.26 -0.28 119.66 114.34 2pu4 s GLN 120 Ca -0.13 -0.76 -0.31 0.00 -1.95 0.00 0.00 55.36 52.21 2pu4 s GLN 120 Cb 0.11 -2.44 -0.11 0.00 -0.22 0.00 0.00 33.01 30.36 2pu4 s GLN 120 CO 0.72 0.60 1.60 0.08 -0.25 0.00 0.00 175.29 178.03 2pu4 s VAL 121 N -0.95 2.45 0.37 1.09 1.01 -1.26 -4.78 120.40 118.33 2pu4 s VAL 121 Ca 0.16 0.33 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 2pu4 s VAL 121 Cb -0.11 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.95 2pu4 s VAL 121 CO 0.06 0.03 1.24 -2.65 0.00 0.00 0.00 175.10 173.78 2pu4 n PRO 122 N 3.77 1.95 0.22 2.72 -0.02 -1.26 -4.89 135.00 137.49 2pu4 n PRO 122 Ca 0.14 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.46 2pu4 n PRO 122 Cb 0.38 -2.30 0.81 0.00 -0.02 0.00 0.00 33.50 32.37 2pu4 n PRO 122 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2pu4 h ASP 123 N 2.27 0.00 1.02 2.55 3.58 -2.01 -1.29 116.42 122.54 2pu4 h ASP 123 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2pu4 h ASP 123 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 2pu4 h ASP 123 CO 0.61 0.00 0.00 -0.33 -2.88 0.00 0.00 179.24 176.64 2pu4 h GLU 124 N 0.00 0.00 -6.28 0.28 3.07 -2.03 -3.40 114.58 106.21 2pu4 h GLU 124 Ca 0.06 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.37 2pu4 h GLU 124 Cb 0.33 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.15 2pu4 h GLU 124 CO -0.00 0.00 1.19 0.08 -1.40 0.00 0.00 179.01 178.88 2pu4 s VAL 125 N -3.49 3.78 -0.13 3.13 1.01 -0.49 -4.78 120.40 119.43 2pu4 s VAL 125 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2pu4 s VAL 125 Cb 0.09 -4.96 -0.05 0.00 0.00 0.00 0.00 36.38 31.45 2pu4 s VAL 125 CO 0.50 -1.88 -0.27 0.29 0.00 0.00 0.00 175.10 173.74 2pu4 n LYS 126 N 9.23 0.42 -2.25 2.72 5.02 -1.26 -4.15 118.16 127.90 2pu4 n LYS 126 Ca 0.12 0.17 -0.25 0.00 -2.02 0.00 0.00 58.31 56.33 2pu4 n LYS 126 Cb 0.50 -1.23 0.06 0.00 -0.02 0.00 0.00 35.03 34.34 2pu4 n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pu4 s SER 127 N -6.10 4.91 0.24 4.39 1.04 -1.26 -4.84 113.70 112.07 2pu4 s SER 127 Ca -0.24 0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.57 2pu4 s SER 127 Cb 0.05 -1.13 0.43 0.00 0.10 0.00 0.00 66.02 65.47 2pu4 s SER 127 CO 0.34 -1.53 1.68 0.28 0.98 0.00 0.00 173.24 175.00 2pu4 h SER 128 N -0.52 -0.03 -0.36 7.02 0.02 -1.99 0.26 113.55 117.95 2pu4 h SER 128 Ca -0.44 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 2pu4 h SER 128 Cb 1.31 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.04 2pu4 h SER 128 CO 0.60 -0.05 0.17 0.28 -1.14 0.00 0.00 176.83 176.69 2pu4 h SER 129 N 0.25 0.48 -0.61 3.07 0.02 -1.99 -2.05 113.55 112.71 2pu4 h SER 129 Ca 0.40 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2pu4 h SER 129 Cb 0.67 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2pu4 h SER 129 CO -0.51 0.47 0.36 0.44 -1.14 0.00 0.00 176.83 176.45 2pu4 h ASP 130 N 0.45 0.74 -0.19 3.07 3.32 -1.75 -1.22 116.42 120.84 2pu4 h ASP 130 Ca 0.12 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 2pu4 h ASP 130 Cb 0.12 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2pu4 h ASP 130 CO -0.02 0.59 0.11 0.25 -1.72 0.00 0.00 179.24 178.46 2pu4 h LEU 131 N 0.83 0.23 -0.39 1.55 5.85 -0.84 -0.14 115.31 122.41 2pu4 h LEU 131 Ca 0.22 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2pu4 h LEU 131 Cb -0.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2pu4 h LEU 131 CO -0.04 0.21 0.23 0.25 -0.34 0.00 0.00 178.44 178.75 2pu4 h LEU 132 N 0.23 0.47 -1.02 2.25 5.85 -1.26 -2.46 115.31 119.38 2pu4 h LEU 132 Ca 0.07 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2pu4 h LEU 132 Cb 0.02 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2pu4 h LEU 132 CO -0.01 0.40 0.16 -0.09 -0.34 0.00 0.00 178.44 178.56 2pu4 h ARG 133 N 0.51 0.87 0.20 1.25 2.43 -0.92 0.06 114.38 118.77 2pu4 h ARG 133 Ca 0.14 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2pu4 h ARG 133 Cb 0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2pu4 h ARG 133 CO -0.03 0.76 -0.16 0.35 -1.51 0.00 0.00 179.97 179.39 2pu4 h PHE 134 N 0.84 -0.42 -0.30 2.20 3.57 -0.74 -1.21 116.94 120.87 2pu4 h PHE 134 Ca 0.19 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 2pu4 h PHE 134 Cb 0.27 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 2pu4 h PHE 134 CO 0.02 -0.25 -0.48 1.88 -2.23 0.00 0.00 178.31 177.25 2pu4 h TYR 135 N -0.37 1.01 -0.89 0.41 0.05 -1.30 -2.32 116.97 113.56 2pu4 h TYR 135 Ca -0.01 -0.34 0.12 0.00 0.05 0.00 0.00 58.73 58.55 2pu4 h TYR 135 Cb 0.34 -0.20 -0.08 0.00 1.01 0.00 0.00 36.73 37.80 2pu4 h TYR 135 CO -0.12 1.14 0.52 1.96 -1.05 0.00 0.00 178.16 180.61 2pu4 h GLN 136 N 0.65 0.80 -0.00 4.88 1.08 -0.96 -3.04 115.11 118.51 2pu4 h GLN 136 Ca 0.03 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2pu4 h GLN 136 Cb 1.07 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2pu4 h GLN 136 CO 0.11 0.53 -0.67 0.09 -0.95 0.00 0.00 178.83 177.94 2pu4 n ASN 137 N -4.73 0.93 -4.73 1.46 5.03 -0.46 -4.77 115.26 107.99 2pu4 n ASN 137 Ca 0.16 -0.77 -0.42 0.00 0.87 0.00 0.00 54.58 54.43 2pu4 n ASN 137 Cb 0.34 0.56 -0.03 0.00 -1.02 0.00 0.00 39.78 39.64 2pu4 n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2pu4 s TRP 138 N -2.88 2.93 -0.17 3.10 -0.00 -0.88 -5.01 118.94 116.03 2pu4 s TRP 138 Ca 0.12 0.58 -0.00 0.00 -0.00 0.00 0.00 56.10 56.80 2pu4 s TRP 138 Cb 0.17 -4.03 0.00 0.00 -0.00 0.00 0.00 33.47 29.61 2pu4 s TRP 138 CO 0.73 -3.76 -0.14 -0.65 -0.00 0.00 0.00 176.95 173.13 2pu4 s GLN 139 N 0.68 3.21 0.54 5.86 -1.52 -1.26 -4.97 119.66 122.20 2pu4 s GLN 139 Ca 0.70 -0.74 -0.20 0.00 -1.95 0.00 0.00 55.36 53.17 2pu4 s GLN 139 Cb -0.47 -2.68 -0.06 0.00 -0.22 0.00 0.00 33.01 29.58 2pu4 s GLN 139 CO 0.36 -0.05 1.12 -1.25 -0.25 0.00 0.00 175.29 175.22 2pu4 s PRO 140 N 0.99 3.40 0.07 2.91 0.04 -1.26 -4.97 135.00 136.19 2pu4 s PRO 140 Ca -0.02 1.60 0.10 0.00 0.04 0.00 0.00 61.00 62.71 2pu4 s PRO 140 Cb -0.15 -2.02 -0.20 0.00 0.04 0.00 0.00 34.50 32.17 2pu4 s PRO 140 CO -0.03 -0.80 1.07 0.00 0.04 0.00 0.00 177.00 177.28 2pu4 h ALA 141 N 1.25 0.52 -2.57 8.56 0.00 -0.99 -3.48 119.26 122.55 2pu4 h ALA 141 Ca -0.50 -1.07 -0.21 0.00 0.00 0.00 0.00 54.91 53.13 2pu4 h ALA 141 Cb 1.26 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.98 2pu4 h ALA 141 CO 0.57 1.32 -0.58 -1.58 0.00 0.00 0.00 179.25 178.98 2pu4 s TRP 142 N -2.69 1.02 0.76 0.00 0.51 -1.11 -5.04 118.94 112.39 2pu4 s TRP 142 Ca -0.01 -1.29 -0.12 0.00 -2.12 0.00 0.00 56.10 52.56 2pu4 s TRP 142 Cb 0.09 -0.48 0.05 0.00 -0.81 0.00 0.00 33.47 32.33 2pu4 s TRP 142 CO 0.82 -0.64 1.13 0.00 -0.51 0.00 0.00 176.95 177.74 2pu4 s ALA 143 N -4.12 2.14 0.45 0.98 0.00 -1.26 -4.46 121.76 115.50 2pu4 s ALA 143 Ca 0.34 0.52 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 2pu4 s ALA 143 Cb 0.06 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2pu4 s ALA 143 CO 0.09 -1.84 1.22 -2.14 0.00 0.00 0.00 175.76 173.10 2pu4 s PRO 144 N -4.45 3.75 -0.88 0.00 0.02 -1.26 -3.58 135.00 128.61 2pu4 s PRO 144 Ca 0.66 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2pu4 s PRO 144 Cb -0.21 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.81 2pu4 s PRO 144 CO 0.50 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.98 2pu4 n GLY 145 N 0.57 0.11 0.02 0.52 0.00 0.18 -4.90 105.19 101.68 2pu4 n GLY 145 Ca 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 2pu4 n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pu4 n THR 146 N -3.85 0.15 -4.65 2.61 -2.24 -1.23 -4.89 114.28 100.18 2pu4 n THR 146 Ca -0.12 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2pu4 n THR 146 Cb 0.56 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 68.03 2pu4 n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pu4 s GLN 147 N -2.05 1.33 -0.22 -0.78 -1.52 -1.26 -1.77 119.66 113.38 2pu4 s GLN 147 Ca -0.03 -0.49 -0.13 0.00 -1.95 0.00 0.00 55.36 52.75 2pu4 s GLN 147 Cb 0.01 -1.22 -0.05 0.00 -0.22 0.00 0.00 33.01 31.53 2pu4 s GLN 147 CO 0.06 0.23 0.27 0.50 -0.25 0.00 0.00 175.29 176.10 2pu4 s ARG 148 N -0.06 4.13 -0.20 2.91 3.52 -0.05 -4.20 118.95 125.00 2pu4 s ARG 148 Ca -0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 55.73 55.51 2pu4 s ARG 148 Cb -0.09 -3.53 0.07 0.00 -1.56 0.00 0.00 34.95 29.84 2pu4 s ARG 148 CO 0.01 0.03 0.07 -1.17 -0.81 0.00 0.00 175.30 173.43 2pu4 s LEU 149 N 1.12 0.87 0.09 -0.88 2.96 -0.63 -1.67 118.68 120.55 2pu4 s LEU 149 Ca 0.13 -0.83 -0.34 0.00 -0.22 0.00 0.00 54.13 52.86 2pu4 s LEU 149 Cb -0.14 -0.45 -0.14 0.00 0.50 0.00 0.00 46.19 45.96 2pu4 s LEU 149 CO 0.06 -0.34 1.63 0.00 -1.32 0.00 0.00 176.35 176.38 2pu4 n TYR 150 N 5.14 2.22 -3.66 5.38 4.19 -1.26 -4.80 117.16 124.37 2pu4 n TYR 150 Ca -0.08 0.24 -0.08 0.00 3.31 0.00 0.00 57.90 61.30 2pu4 n TYR 150 Cb 0.47 -2.55 -0.09 0.00 0.49 0.00 0.00 39.34 37.66 2pu4 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2pu4 s ALA 151 N 1.64 -1.31 0.40 2.98 0.00 -1.26 -4.28 121.76 119.92 2pu4 s ALA 151 Ca 0.83 1.70 0.09 0.00 0.00 0.00 0.00 51.96 54.58 2pu4 s ALA 151 Cb -0.71 -1.31 0.83 0.00 0.00 0.00 0.00 23.12 21.93 2pu4 s ALA 151 CO 0.42 -0.64 1.96 -0.91 0.00 0.00 0.00 175.76 176.60 2pu4 h ASN 152 N 7.82 0.28 1.01 0.00 2.35 -0.78 -2.87 115.58 123.39 2pu4 h ASN 152 Ca -0.22 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 2pu4 h ASN 152 Cb 1.13 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 2pu4 h ASN 152 CO 0.16 0.36 -0.14 0.77 -1.65 0.00 0.00 177.43 176.93 2pu4 h SER 153 N 0.30 0.00 0.00 5.81 4.64 -1.65 -1.06 113.55 121.59 2pu4 h SER 153 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2pu4 h SER 153 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2pu4 h SER 153 CO 0.01 0.14 -0.00 -1.28 -0.87 0.00 0.00 176.83 174.82 2pu4 h SER 154 N 0.00 -0.00 -0.10 4.97 0.87 -1.74 -3.25 113.55 114.30 2pu4 h SER 154 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2pu4 h SER 154 Cb 0.68 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2pu4 h SER 154 CO 0.02 0.06 0.00 -0.29 -0.53 0.00 0.00 176.83 176.09 2pu4 h ILE 155 N -0.13 1.12 -0.89 2.23 2.10 -1.42 -2.00 117.51 118.51 2pu4 h ILE 155 Ca -0.00 -0.48 0.07 0.00 1.08 0.00 0.00 64.86 65.53 2pu4 h ILE 155 Cb 0.00 0.98 -0.07 0.00 -1.09 0.00 0.00 36.82 36.65 2pu4 h ILE 155 CO 0.00 0.16 0.55 1.23 -1.08 0.00 0.00 178.15 179.01 2pu4 h GLY 156 N 0.55 1.36 0.85 8.18 0.00 -1.38 -0.53 103.07 112.10 2pu4 h GLY 156 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 2pu4 h GLY 156 CO 0.00 0.25 -0.31 -2.00 0.00 0.00 0.00 176.54 174.48 2pu4 h LEU 157 N 0.99 0.57 -0.64 3.11 5.85 -1.48 -2.43 115.31 121.28 2pu4 h LEU 157 Ca 0.40 -0.54 0.10 0.00 0.84 0.00 0.00 57.88 58.68 2pu4 h LEU 157 Cb 0.21 -0.16 -0.12 0.00 0.37 0.00 0.00 40.66 40.96 2pu4 h LEU 157 CO -0.19 1.01 -0.38 0.15 -0.34 0.00 0.00 178.44 178.69 2pu4 h PHE 158 N 0.16 -1.07 -0.88 1.25 3.57 -1.06 -1.65 116.94 117.25 2pu4 h PHE 158 Ca 0.01 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2pu4 h PHE 158 Cb 0.90 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2pu4 h PHE 158 CO 0.09 -0.40 0.56 0.78 -2.23 0.00 0.00 178.31 177.11 2pu4 h GLY 159 N -0.16 1.26 1.37 2.40 0.00 -1.06 0.32 103.07 107.21 2pu4 h GLY 159 Ca 0.23 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 2pu4 h GLY 159 CO -0.72 0.48 -0.21 0.00 0.00 0.00 0.00 176.54 176.09 2pu4 h ALA 160 N 1.41 0.93 0.04 3.60 0.00 -0.90 -3.17 119.26 121.17 2pu4 h ALA 160 Ca 0.32 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 2pu4 h ALA 160 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2pu4 h ALA 160 CO -0.06 0.61 -1.07 -0.07 0.00 0.00 0.00 179.25 178.66 2pu4 h LEU 161 N 0.64 0.13 -1.99 0.00 3.38 -1.15 -3.33 115.31 112.99 2pu4 h LEU 161 Ca 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2pu4 h LEU 161 Cb 0.70 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2pu4 h LEU 161 CO 0.05 1.11 -0.10 0.00 0.09 0.00 0.00 178.44 179.59 2pu4 h ALA 162 N 0.87 1.42 -0.02 1.53 0.00 -0.90 -2.68 119.26 119.47 2pu4 h ALA 162 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pu4 h ALA 162 Cb 1.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2pu4 h ALA 162 CO 0.15 0.13 -0.10 1.33 0.00 0.00 0.00 179.25 180.76 2pu4 n VAL 163 N -3.81 0.00 0.02 0.00 0.24 -1.24 -4.57 118.33 108.97 2pu4 n VAL 163 Ca -0.02 -0.36 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 2pu4 n VAL 163 Cb 0.20 1.09 -0.07 0.00 -1.47 0.00 0.00 33.84 33.60 2pu4 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2pu4 h LYS 164 N 3.39 0.04 0.00 7.34 1.79 -1.61 -2.88 116.57 124.64 2pu4 h LYS 164 Ca 0.00 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2pu4 h LYS 164 Cb 0.78 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2pu4 h LYS 164 CO 0.00 0.07 -0.01 -1.35 -1.08 0.00 0.00 179.45 177.08 2pu4 h PRO 165 N 0.00 0.00 0.00 3.15 0.11 -1.80 -2.68 132.00 130.78 2pu4 h PRO 165 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2pu4 h PRO 165 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2pu4 h PRO 165 CO -0.00 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.46 2pu4 h SER 166 N 0.00 0.00 0.00 -2.05 4.64 -1.82 -3.47 113.55 110.85 2pu4 h SER 166 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pu4 h SER 166 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2pu4 h SER 166 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2pu4 n GLY 167 N 0.76 1.84 3.92 -0.77 0.00 -1.01 -5.02 105.19 104.91 2pu4 n GLY 167 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2pu4 n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pu4 s LEU 168 N 0.00 4.25 0.81 0.99 1.43 -1.26 -5.09 118.68 119.82 2pu4 s LEU 168 Ca 0.00 0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 2pu4 s LEU 168 Cb 0.00 -3.15 0.08 0.00 0.03 0.00 0.00 46.19 43.15 2pu4 s LEU 168 CO 0.00 -0.01 1.12 -0.94 0.23 0.00 0.00 176.35 176.75 2pu4 s SER 169 N -3.03 3.93 0.24 2.29 1.04 -1.26 -4.68 113.70 112.23 2pu4 s SER 169 Ca 0.38 2.01 -0.05 0.00 0.48 0.00 0.00 55.95 58.77 2pu4 s SER 169 Cb -0.11 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 63.90 2pu4 s SER 169 CO 0.28 -2.43 1.71 0.15 0.98 0.00 0.00 173.24 173.94 2pu4 h PHE 170 N -1.27 0.38 -0.67 5.02 3.57 -1.91 -0.06 116.94 122.00 2pu4 h PHE 170 Ca -0.44 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.06 2pu4 h PHE 170 Cb 1.25 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.90 2pu4 h PHE 170 CO 0.54 -0.01 0.26 1.49 -2.23 0.00 0.00 178.31 178.36 2pu4 h GLU 171 N 0.35 1.01 -0.31 1.11 4.81 -1.99 0.04 114.58 119.61 2pu4 h GLU 171 Ca 0.40 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2pu4 h GLU 171 Cb 0.64 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2pu4 h GLU 171 CO -0.44 0.85 -0.12 1.96 -0.73 0.00 0.00 179.01 180.53 2pu4 h GLN 172 N 0.96 0.62 -0.45 1.92 4.20 -1.74 -1.86 115.11 118.76 2pu4 h GLN 172 Ca 0.22 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2pu4 h GLN 172 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2pu4 h GLN 172 CO -0.02 0.83 0.20 0.00 -0.67 0.00 0.00 178.83 179.18 2pu4 h ALA 173 N 0.77 0.58 0.08 3.87 0.00 -0.99 -1.16 119.26 122.41 2pu4 h ALA 173 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2pu4 h ALA 173 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2pu4 h ALA 173 CO 0.04 0.15 -0.09 1.98 0.00 0.00 0.00 179.25 181.33 2pu4 h MET 174 N 0.58 -0.18 -0.02 0.00 1.85 -0.93 -0.72 114.93 115.50 2pu4 h MET 174 Ca 0.15 0.01 0.03 0.00 -0.61 0.00 0.00 59.70 59.29 2pu4 h MET 174 Cb 0.14 0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 2pu4 h MET 174 CO -0.02 -0.12 -0.28 1.96 -0.40 0.00 0.00 176.91 178.06 2pu4 h GLN 175 N -0.19 -0.39 -0.17 0.39 4.20 -1.34 -1.37 115.11 116.24 2pu4 h GLN 175 Ca 0.01 0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 2pu4 h GLN 175 Cb 0.19 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2pu4 h GLN 175 CO -0.03 -0.26 -0.67 1.15 -0.67 0.00 0.00 178.83 178.35 2pu4 h THR 176 N -0.41 1.31 0.00 -0.54 2.02 -1.17 -0.47 112.91 113.65 2pu4 h THR 176 Ca 0.07 -1.92 0.00 0.00 0.77 0.00 0.00 66.41 65.32 2pu4 h THR 176 Cb 0.50 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2pu4 h THR 176 CO -0.25 0.60 -1.19 0.54 0.37 0.00 0.00 175.52 175.60 2pu4 n ARG 177 N -3.93 1.13 0.07 6.66 1.74 -0.28 -4.39 116.66 117.65 2pu4 n ARG 177 Ca -0.05 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2pu4 n ARG 177 Cb 0.68 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 2pu4 n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2pu4 n VAL 178 N -1.67 0.48 -0.05 1.55 0.31 -0.82 -4.74 118.33 113.39 2pu4 n VAL 178 Ca 0.01 0.16 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 2pu4 n VAL 178 Cb 0.33 -0.93 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 2pu4 n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2pu4 h PHE 179 N 0.00 0.13 0.21 3.52 0.04 -1.30 -2.54 116.94 116.99 2pu4 h PHE 179 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 2pu4 h PHE 179 Cb 0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2pu4 h PHE 179 CO 0.00 0.06 -0.10 1.96 -0.60 0.00 0.00 178.31 179.63 2pu4 h GLN 180 N 0.17 -0.27 -0.90 1.51 4.20 -1.32 0.25 115.11 118.76 2pu4 h GLN 180 Ca 0.10 0.02 0.14 0.00 0.06 0.00 0.00 58.65 58.96 2pu4 h GLN 180 Cb 0.07 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.84 2pu4 h GLN 180 CO -0.11 0.10 0.58 -1.35 -0.67 0.00 0.00 178.83 177.38 2pu4 h PRO 181 N -0.71 0.72 -0.00 1.46 0.11 -1.76 -0.12 132.00 131.69 2pu4 h PRO 181 Ca -0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2pu4 h PRO 181 Cb 0.49 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2pu4 h PRO 181 CO 0.05 0.48 -0.01 1.28 -0.21 0.00 0.00 178.00 179.58 2pu4 n LEU 182 N -4.57 0.48 -3.48 2.35 4.77 -0.96 -4.94 117.00 110.66 2pu4 n LEU 182 Ca 0.17 -0.14 -0.25 0.00 -0.03 0.00 0.00 56.01 55.77 2pu4 n LEU 182 Cb 0.44 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2pu4 n LEU 182 CO 0.29 0.08 0.14 0.29 -1.33 0.00 0.00 177.39 176.86 2pu4 n LYS 183 N -0.66 -6.44 -2.43 3.23 5.02 -0.06 -4.92 118.16 111.91 2pu4 n LYS 183 Ca 0.22 0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 56.87 2pu4 n LYS 183 Cb 0.20 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.46 2pu4 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2pu4 n LEU 184 N -4.61 5.72 -0.13 -0.35 4.77 0.77 -4.78 117.00 118.38 2pu4 n LEU 184 Ca -0.02 -4.20 0.15 0.00 -0.03 0.00 0.00 56.01 51.90 2pu4 n LEU 184 Cb 0.57 -1.66 0.68 0.00 -2.33 0.00 0.00 43.42 40.68 2pu4 n LEU 184 CO 0.61 0.69 0.93 0.59 -1.33 0.00 0.00 177.39 178.89 2pu4 n ASN 185 N 6.54 0.48 -1.48 -1.43 3.02 -1.26 -3.46 115.26 117.67 2pu4 n ASN 185 Ca 0.46 -0.77 -0.03 0.00 -0.03 0.00 0.00 54.58 54.21 2pu4 n ASN 185 Cb 0.42 -0.06 0.10 0.00 -0.61 0.00 0.00 39.78 39.63 2pu4 n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2pu4 n HIS 186 N -0.83 0.86 -5.04 3.10 8.25 -1.26 -5.02 115.22 115.27 2pu4 n HIS 186 Ca 0.17 -1.54 -0.32 0.00 -0.26 0.00 0.00 57.72 55.77 2pu4 n HIS 186 Cb 0.25 -0.25 -0.17 0.00 1.12 0.00 0.00 29.99 30.95 2pu4 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2pu4 s THR 187 N -2.91 2.04 0.00 1.59 2.01 -1.22 -3.60 115.64 113.55 2pu4 s THR 187 Ca 0.39 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.40 2pu4 s THR 187 Cb 0.38 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 2pu4 s THR 187 CO -0.06 0.55 -0.04 0.26 -0.69 0.00 0.00 174.62 174.65 2pu4 s TRP 188 N 0.49 0.32 0.01 4.92 0.52 0.38 -4.99 118.94 120.58 2pu4 s TRP 188 Ca -0.15 -0.11 -0.07 0.00 0.02 0.00 0.00 56.10 55.78 2pu4 s TRP 188 Cb -0.17 -0.20 -0.30 0.00 -1.15 0.00 0.00 33.47 31.64 2pu4 s TRP 188 CO 0.06 -0.02 0.90 0.82 0.02 0.00 0.00 176.95 178.72 2pu4 h ILE 189 N 5.00 1.19 -3.21 2.03 2.04 -1.84 0.17 117.51 122.89 2pu4 h ILE 189 Ca -0.27 -2.77 -0.59 0.00 1.00 0.00 0.00 64.86 62.24 2pu4 h ILE 189 Cb 1.20 2.85 -0.35 0.00 -0.74 0.00 0.00 36.82 39.78 2pu4 h ILE 189 CO 0.49 0.84 -0.83 0.20 0.00 0.00 0.00 178.15 178.85 2pu4 s ASN 190 N -7.19 2.49 -0.10 1.72 0.01 -1.26 -4.79 114.94 105.82 2pu4 s ASN 190 Ca -0.10 -0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 51.32 2pu4 s ASN 190 Cb 0.06 -1.10 -0.03 0.00 0.41 0.00 0.00 41.25 40.59 2pu4 s ASN 190 CO 0.88 -0.02 1.34 -0.69 -1.51 0.00 0.00 177.10 177.10 2pu4 s VAL 191 N 1.20 4.06 0.57 1.60 1.01 -1.26 -5.02 120.40 122.56 2pu4 s VAL 191 Ca -0.02 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.15 2pu4 s VAL 191 Cb -0.14 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2pu4 s VAL 191 CO -0.05 -0.08 1.02 -2.16 0.00 0.00 0.00 175.10 173.83 2pu4 s PRO 192 N 3.16 3.64 0.28 2.72 0.04 -1.26 -4.86 135.00 138.71 2pu4 s PRO 192 Ca 0.60 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.63 2pu4 s PRO 192 Cb -0.26 -2.09 0.63 0.00 0.04 0.00 0.00 34.50 32.83 2pu4 s PRO 192 CO 0.20 -0.54 1.74 -1.35 0.04 0.00 0.00 177.00 177.10 2pu4 h PRO 193 N 0.41 0.55 -0.00 0.56 0.11 -2.02 0.97 132.00 132.58 2pu4 h PRO 193 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2pu4 h PRO 193 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pu4 h PRO 193 CO 0.60 0.36 0.02 0.00 -0.21 0.00 0.00 178.00 178.78 2pu4 h ALA 194 N 1.62 1.07 0.00 -0.75 0.00 -2.04 -2.59 119.26 116.58 2pu4 h ALA 194 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2pu4 h ALA 194 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2pu4 h ALA 194 CO -0.42 -0.02 -1.56 0.39 0.00 0.00 0.00 179.25 177.64 2pu4 n GLU 195 N -3.14 0.40 -0.21 0.00 -0.58 0.32 -4.42 120.64 113.01 2pu4 n GLU 195 Ca -0.03 -0.11 0.29 0.00 -0.42 0.00 0.00 57.16 56.89 2pu4 n GLU 195 Cb 0.09 -1.53 0.70 0.00 -0.57 0.00 0.00 31.44 30.14 2pu4 n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2pu4 h GLU 196 N 0.00 0.05 -0.08 3.49 5.08 -1.22 0.22 114.58 122.11 2pu4 h GLU 196 Ca 0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2pu4 h GLU 196 Cb 0.81 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2pu4 h GLU 196 CO 0.00 0.03 0.07 1.57 -1.00 0.00 0.00 179.01 179.68 2pu4 h LYS 197 N 0.05 0.00 -0.02 2.33 2.10 -1.78 -2.23 116.57 117.02 2pu4 h LYS 197 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2pu4 h LYS 197 Cb 1.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.07 2pu4 h LYS 197 CO -0.03 0.00 -0.22 0.09 -2.00 0.00 0.00 179.45 177.29 2pu4 n ASN 198 N -4.21 2.21 -4.53 7.07 3.02 0.76 -4.90 115.26 114.69 2pu4 n ASN 198 Ca -0.01 -1.62 -0.43 0.00 -0.03 0.00 0.00 54.58 52.49 2pu4 n ASN 198 Cb 0.17 0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 2pu4 n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pu4 s TYR 199 N -2.25 2.78 0.60 3.10 5.04 -0.84 -0.34 117.35 125.45 2pu4 s TYR 199 Ca 0.25 0.03 -0.18 0.00 -2.44 0.00 0.00 57.07 54.73 2pu4 s TYR 199 Cb 0.19 -4.11 -0.06 0.00 0.35 0.00 0.00 41.96 38.33 2pu4 s TYR 199 CO 0.44 -1.36 0.71 0.00 -1.34 0.00 0.00 175.55 174.00 2pu4 n ALA 200 N 7.53 -0.62 -2.27 3.97 0.00 -0.70 -4.94 120.51 123.47 2pu4 n ALA 200 Ca 0.02 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 2pu4 n ALA 200 Cb 0.48 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 2pu4 n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pu4 s TRP 201 N -1.66 3.40 0.33 0.00 0.52 -0.25 -4.94 118.94 116.34 2pu4 s TRP 201 Ca 0.72 1.06 -0.04 0.00 0.02 0.00 0.00 56.10 57.86 2pu4 s TRP 201 Cb -0.42 -2.41 -0.05 0.00 -1.15 0.00 0.00 33.47 29.45 2pu4 s TRP 201 CO 0.51 0.18 0.59 0.20 0.02 0.00 0.00 176.95 178.45 2pu4 s GLY 202 N -2.31 1.71 -0.14 0.98 0.00 0.03 -4.82 107.32 102.76 2pu4 s GLY 202 Ca 0.51 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2pu4 s GLY 202 CO 0.19 -0.50 -0.14 -0.19 0.00 0.00 0.00 173.10 172.46 2pu4 s TYR 203 N -2.23 2.09 -0.12 1.90 2.02 -0.70 0.16 117.35 120.47 2pu4 s TYR 203 Ca 0.44 -1.14 -0.01 0.00 -0.37 0.00 0.00 57.07 55.99 2pu4 s TYR 203 Cb -0.10 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2pu4 s TYR 203 CO 0.33 -0.63 -0.06 0.50 -1.57 0.00 0.00 175.55 174.12 2pu4 s ARG 204 N 1.44 1.43 -1.44 -0.62 3.52 -0.42 -4.44 118.95 118.41 2pu4 s ARG 204 Ca 0.03 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.33 2pu4 s ARG 204 Cb -0.13 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.60 2pu4 s ARG 204 CO -0.09 -0.32 0.31 0.39 -0.81 0.00 0.00 175.30 174.78 2pu4 n GLU 205 N 4.94 -2.54 -0.91 5.12 1.02 -1.26 -1.11 120.64 125.91 2pu4 n GLU 205 Ca -0.12 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2pu4 n GLU 205 Cb 0.49 -4.22 0.00 0.00 -0.02 0.00 0.00 31.44 27.69 2pu4 n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pu4 n GLY 206 N -2.15 0.53 3.63 0.62 0.00 -1.26 -5.01 105.19 101.55 2pu4 n GLY 206 Ca -0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2pu4 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pu4 s LYS 207 N -0.46 3.48 -0.13 1.61 1.02 -0.26 -5.07 119.74 119.92 2pu4 s LYS 207 Ca 0.00 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.29 2pu4 s LYS 207 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2pu4 s LYS 207 CO 0.00 0.46 1.58 0.00 -0.92 0.00 0.00 175.35 176.46 2pu4 s ALA 208 N -0.19 3.50 0.02 5.17 0.00 -1.26 -1.30 121.76 127.70 2pu4 s ALA 208 Ca 0.06 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2pu4 s ALA 208 Cb -0.12 -3.76 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2pu4 s ALA 208 CO 0.02 -1.57 -0.07 0.14 0.00 0.00 0.00 175.76 174.28 2pu4 s VAL 209 N 4.39 0.53 0.07 0.00 -7.23 0.12 -4.91 120.40 113.37 2pu4 s VAL 209 Ca 0.70 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 60.29 2pu4 s VAL 209 Cb -0.28 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.10 2pu4 s VAL 209 CO 0.27 -0.11 -0.24 -1.00 -0.31 0.00 0.00 175.10 173.70 2pu4 s HIS 210 N -0.74 2.38 0.22 2.82 3.76 -1.26 -0.79 115.29 121.67 2pu4 s HIS 210 Ca -0.03 -0.36 -0.31 0.00 -0.15 0.00 0.00 55.06 54.21 2pu4 s HIS 210 Cb -0.06 -1.37 -0.15 0.00 1.11 0.00 0.00 32.58 32.11 2pu4 s HIS 210 CO 0.00 0.21 1.08 1.55 -0.85 0.00 0.00 174.74 176.74 2pu4 n VAL 211 N 1.49 1.37 -3.13 -0.90 3.14 -1.26 -4.98 118.33 114.06 2pu4 n VAL 211 Ca -0.17 -0.34 -0.34 0.00 -2.96 0.00 0.00 64.34 60.53 2pu4 n VAL 211 Cb 0.52 -0.89 -0.06 0.00 -1.06 0.00 0.00 33.84 32.35 2pu4 n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2pu4 s SER 212 N -0.25 6.91 0.53 6.55 0.01 -1.26 -5.06 113.70 121.12 2pu4 s SER 212 Ca 0.67 1.34 -0.22 0.00 1.31 0.00 0.00 55.95 59.04 2pu4 s SER 212 Cb -0.79 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 62.99 2pu4 s SER 212 CO 0.55 -0.08 1.37 -2.84 0.41 0.00 0.00 173.24 172.65 2pu4 s PRO 213 N -2.47 3.24 0.20 12.44 0.02 -1.26 -5.02 135.00 142.15 2pu4 s PRO 213 Ca 0.48 2.27 -0.23 0.00 0.02 0.00 0.00 61.00 63.55 2pu4 s PRO 213 Cb -0.13 -2.33 0.05 0.00 0.02 0.00 0.00 34.50 32.10 2pu4 s PRO 213 CO 0.19 -1.12 0.70 0.20 -0.33 0.00 0.00 177.00 176.64 2pu4 s GLY 214 N -0.87 -0.34 0.26 0.52 0.00 -1.26 -5.09 107.32 100.54 2pu4 s GLY 214 Ca 0.70 0.13 -0.31 0.00 0.00 0.00 0.00 44.72 45.24 2pu4 s GLY 214 CO 0.49 0.04 1.62 0.00 0.00 0.00 0.00 173.10 175.26 2pu4 n ALA 215 N -0.42 2.48 -2.02 3.20 0.00 -1.26 -2.51 120.51 119.98 2pu4 n ALA 215 Ca -0.10 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 2pu4 n ALA 215 Cb 0.62 -2.46 -0.04 0.00 0.00 0.00 0.00 19.45 17.56 2pu4 n ALA 215 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2pu4 n LEU 216 N 2.70 -1.62 -0.08 0.00 4.77 -1.26 -4.85 117.00 116.66 2pu4 n LEU 216 Ca 0.11 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2pu4 n LEU 216 Cb 0.35 -2.75 -0.02 0.00 -2.33 0.00 0.00 43.42 38.68 2pu4 n LEU 216 CO 0.64 -0.57 0.98 -2.24 -1.33 0.00 0.00 177.39 174.87 2pu4 h ASP 217 N 0.00 0.35 -0.57 -1.43 3.04 -1.90 -2.27 116.42 113.63 2pu4 h ASP 217 Ca -0.43 -0.04 0.10 0.00 -3.24 0.00 0.00 57.03 53.42 2pu4 h ASP 217 Cb 1.30 -0.09 -0.08 0.00 -1.04 0.00 0.00 39.33 39.43 2pu4 h ASP 217 CO 0.56 0.28 0.15 0.00 -2.04 0.00 0.00 179.24 178.19 2pu4 h ALA 218 N 1.08 0.69 -0.49 4.15 0.00 -1.87 0.23 119.26 123.05 2pu4 h ALA 218 Ca 0.11 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2pu4 h ALA 218 Cb -0.01 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2pu4 h ALA 218 CO -0.02 -0.27 -0.08 0.93 0.00 0.00 0.00 179.25 179.81 2pu4 h GLU 219 N 0.30 0.88 0.00 0.00 3.07 -1.88 -3.26 114.58 113.69 2pu4 h GLU 219 Ca 0.29 -0.29 -0.39 0.00 -0.50 0.00 0.00 59.36 58.48 2pu4 h GLU 219 Cb 0.40 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.17 2pu4 h GLU 219 CO -0.35 0.92 -2.46 0.00 -1.40 0.00 0.00 179.01 175.72 2pu4 n ALA 220 N -2.49 1.43 -1.98 3.43 0.00 -0.86 -4.37 120.51 115.67 2pu4 n ALA 220 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2pu4 n ALA 220 Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2pu4 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2pu4 n TYR 221 N -3.23 0.00 0.29 0.00 0.18 0.34 -4.08 117.16 110.66 2pu4 n TYR 221 Ca -0.45 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.42 2pu4 n TYR 221 Cb 1.00 0.16 0.15 0.00 -0.38 0.00 0.00 39.34 40.27 2pu4 n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2pu4 n GLY 222 N 0.00 1.39 3.78 -7.48 0.00 0.55 -3.67 105.19 99.76 2pu4 n GLY 222 Ca 0.00 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 2pu4 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pu4 s VAL 223 N -1.28 4.26 -0.01 1.61 1.01 -1.26 -4.59 120.40 120.15 2pu4 s VAL 223 Ca 0.29 1.76 0.07 0.00 0.00 0.00 0.00 61.98 64.10 2pu4 s VAL 223 Cb 0.17 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2pu4 s VAL 223 CO 0.24 0.20 -0.22 -0.54 0.00 0.00 0.00 175.10 174.78 2pu4 s LYS 224 N -1.91 1.76 0.20 2.72 3.01 0.60 -1.57 119.74 124.54 2pu4 s LYS 224 Ca 0.48 -0.83 -0.22 0.00 -1.01 0.00 0.00 55.97 54.38 2pu4 s LYS 224 Cb -0.19 -1.73 0.05 0.00 -1.01 0.00 0.00 37.83 34.95 2pu4 s LYS 224 CO 0.24 0.47 0.64 0.45 0.51 0.00 0.00 175.35 177.66 2pu4 s SER 225 N -0.64 -0.45 0.43 2.83 0.15 -0.92 -0.47 113.70 114.63 2pu4 s SER 225 Ca 0.09 -0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.56 2pu4 s SER 225 Cb -0.09 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2pu4 s SER 225 CO -0.00 -1.10 0.61 0.42 1.20 0.00 0.00 173.24 174.36 2pu4 s THR 226 N -3.81 3.42 0.43 6.45 -4.23 -1.24 -1.48 115.64 115.18 2pu4 s THR 226 Ca 0.05 -0.83 0.12 0.00 -1.18 0.00 0.00 61.69 59.85 2pu4 s THR 226 Cb -0.03 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.79 2pu4 s THR 226 CO -0.06 -0.11 1.98 -0.29 -0.54 0.00 0.00 174.62 175.60 2pu4 h ILE 227 N 0.54 1.14 -0.15 2.99 6.09 -1.73 -1.22 117.51 125.17 2pu4 h ILE 227 Ca -0.43 -0.61 -0.06 0.00 -1.37 0.00 0.00 64.86 62.38 2pu4 h ILE 227 Cb 1.27 1.21 -0.00 0.00 0.47 0.00 0.00 36.82 39.77 2pu4 h ILE 227 CO 0.51 0.19 -0.16 -0.33 -3.07 0.00 0.00 178.15 175.29 2pu4 h GLU 228 N 0.13 0.37 -0.23 2.19 5.08 -1.95 -2.09 114.58 118.07 2pu4 h GLU 228 Ca 0.03 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2pu4 h GLU 228 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2pu4 h GLU 228 CO 0.02 0.75 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.18 2pu4 h ASP 229 N -0.00 0.39 0.45 1.42 5.19 -1.85 -2.39 116.42 119.61 2pu4 h ASP 229 Ca 0.02 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.20 2pu4 h ASP 229 Cb 0.69 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 2pu4 h ASP 229 CO 0.04 0.58 -0.56 0.24 -3.12 0.00 0.00 179.24 176.41 2pu4 h MET 230 N 0.37 0.12 -0.48 3.56 2.86 -1.19 -0.96 114.93 119.23 2pu4 h MET 230 Ca 0.07 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 2pu4 h MET 230 Cb 0.51 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2pu4 h MET 230 CO 0.03 0.65 -0.08 0.00 1.06 0.00 0.00 176.91 178.58 2pu4 h ALA 231 N 1.33 0.65 -0.65 6.32 0.00 -1.17 -1.82 119.26 123.92 2pu4 h ALA 231 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2pu4 h ALA 231 Cb 1.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2pu4 h ALA 231 CO 0.08 0.53 0.35 -0.09 0.00 0.00 0.00 179.25 180.12 2pu4 h ARG 232 N 0.75 0.92 -0.34 0.00 2.43 -1.14 0.36 114.38 117.36 2pu4 h ARG 232 Ca 0.13 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2pu4 h ARG 232 Cb 0.62 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2pu4 h ARG 232 CO 0.04 0.70 0.04 2.35 -1.51 0.00 0.00 179.97 181.59 2pu4 h TRP 233 N 0.89 0.06 -0.46 2.20 -0.00 -1.08 0.06 115.95 117.63 2pu4 h TRP 233 Ca 0.23 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.15 2pu4 h TRP 233 Cb 0.06 0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 29.22 2pu4 h TRP 233 CO -0.00 -0.02 0.29 0.28 -0.00 0.00 0.00 178.44 178.99 2pu4 h VAL 234 N 0.15 1.09 -1.00 2.65 2.07 -0.85 -1.25 116.25 119.11 2pu4 h VAL 234 Ca 0.16 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2pu4 h VAL 234 Cb 0.20 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 2pu4 h VAL 234 CO -0.24 0.11 0.65 1.56 0.02 0.00 0.00 177.57 179.67 2pu4 h GLN 235 N 0.58 1.19 -0.47 1.57 4.20 -0.52 0.17 115.11 121.83 2pu4 h GLN 235 Ca 0.17 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 2pu4 h GLN 235 Cb -0.03 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.46 2pu4 h GLN 235 CO -0.06 0.79 -0.21 0.77 -0.67 0.00 0.00 178.83 179.45 2pu4 h SER 236 N 1.22 0.98 1.39 1.46 0.02 -0.63 -2.63 113.55 115.36 2pu4 h SER 236 Ca 0.41 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2pu4 h SER 236 Cb 0.06 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2pu4 h SER 236 CO -0.14 1.14 -0.32 0.78 -1.14 0.00 0.00 176.83 177.15 2pu4 h ASN 237 N 0.83 0.00 -0.43 3.07 2.35 -0.85 -3.02 115.58 117.52 2pu4 h ASN 237 Ca 0.11 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2pu4 h ASN 237 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 2pu4 h ASN 237 CO 0.06 0.32 -0.21 -0.07 -1.65 0.00 0.00 177.43 175.89 2pu4 h LEU 238 N 0.00 0.96 -6.00 1.61 3.38 -0.83 -3.40 115.31 111.02 2pu4 h LEU 238 Ca -0.00 -0.35 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 2pu4 h LEU 238 Cb 1.10 -0.26 -0.39 0.00 0.09 0.00 0.00 40.66 41.20 2pu4 h LEU 238 CO 0.04 1.13 -1.12 1.17 0.09 0.00 0.00 178.44 179.75 2pu4 n LYS 239 N -4.11 0.75 0.01 1.13 4.81 -1.00 -4.75 118.16 114.99 2pu4 n LYS 239 Ca 0.00 -3.25 0.04 0.00 -0.87 0.00 0.00 58.31 54.24 2pu4 n LYS 239 Cb 0.45 -1.28 0.17 0.00 0.02 0.00 0.00 35.03 34.39 2pu4 n LYS 239 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2pu4 n PRO 240 N 1.25 0.01 0.13 1.64 -0.04 -1.14 -2.55 135.00 134.29 2pu4 n PRO 240 Ca 0.22 0.38 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 2pu4 n PRO 240 Cb 0.55 -1.52 0.20 0.00 -0.04 0.00 0.00 33.50 32.70 2pu4 n PRO 240 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2pu4 h LEU 241 N 0.00 0.00 -1.05 1.53 3.38 -1.91 -2.96 115.31 114.31 2pu4 h LEU 241 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2pu4 h LEU 241 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pu4 h LEU 241 CO 0.00 0.03 0.00 0.44 0.09 0.00 0.00 178.44 179.00 2pu4 h ASP 242 N 0.00 0.00 -2.73 -0.43 3.45 -1.88 -3.44 116.42 111.39 2pu4 h ASP 242 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 2pu4 h ASP 242 Cb 0.86 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.61 2pu4 h ASP 242 CO 0.00 0.00 1.04 -0.63 -1.57 0.00 0.00 179.24 178.08 2pu4 s ILE 243 N -3.51 3.80 0.19 0.35 1.01 -1.12 -4.94 121.20 116.99 2pu4 s ILE 243 Ca 0.03 0.96 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 2pu4 s ILE 243 Cb 0.09 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2pu4 s ILE 243 CO 0.53 -0.13 1.54 0.78 0.00 0.00 0.00 174.94 177.66 2pu4 h ASN 244 N 9.39 0.76 -2.90 3.58 4.21 -1.89 -3.43 115.58 125.30 2pu4 h ASN 244 Ca -0.34 -0.34 -0.57 0.00 1.21 0.00 0.00 56.30 56.26 2pu4 h ASN 244 Cb 1.15 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 38.10 2pu4 h ASN 244 CO 0.97 1.07 1.08 -1.61 -1.29 0.00 0.00 177.43 177.64 2pu4 s GLU 245 N -4.29 3.83 0.08 0.81 8.01 -1.26 -4.91 118.70 120.96 2pu4 s GLU 245 Ca -0.09 1.51 -0.21 0.00 0.01 0.00 0.00 54.97 56.20 2pu4 s GLU 245 Cb 0.12 -3.99 -0.11 0.00 -4.31 0.00 0.00 34.13 25.85 2pu4 s GLU 245 CO 0.85 -1.25 1.58 0.87 0.01 0.00 0.00 175.26 177.32 2pu4 h LYS 246 N 10.28 0.26 -0.09 1.61 1.57 -2.00 -1.79 116.57 126.41 2pu4 h LYS 246 Ca -0.31 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 2pu4 h LYS 246 Cb 1.13 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2pu4 h LYS 246 CO 1.01 0.39 -0.40 1.79 -0.57 0.00 0.00 179.45 181.67 2pu4 h THR 247 N 0.08 1.30 -0.35 -0.16 1.35 -1.91 -1.75 112.91 111.47 2pu4 h THR 247 Ca 0.05 -1.47 -0.03 0.00 -0.55 0.00 0.00 66.41 64.42 2pu4 h THR 247 Cb 0.24 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2pu4 h THR 247 CO -0.00 0.44 0.11 0.25 -0.25 0.00 0.00 175.52 176.06 2pu4 h LEU 248 N 0.16 0.51 -0.12 3.87 5.85 -1.84 0.22 115.31 123.96 2pu4 h LEU 248 Ca 0.02 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.57 2pu4 h LEU 248 Cb 0.78 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2pu4 h LEU 248 CO 0.06 0.58 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.94 2pu4 h GLN 249 N 0.41 -0.24 -0.80 1.25 4.15 -1.03 -0.94 115.11 117.91 2pu4 h GLN 249 Ca 0.11 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.57 2pu4 h GLN 249 Cb 0.26 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 2pu4 h GLN 249 CO -0.00 -0.16 0.52 1.96 -1.93 0.00 0.00 178.83 179.22 2pu4 h GLN 250 N -0.25 1.00 -0.55 1.69 4.20 -1.27 -2.74 115.11 117.19 2pu4 h GLN 250 Ca 0.10 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2pu4 h GLN 250 Cb 0.39 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2pu4 h GLN 250 CO -0.27 0.66 0.30 0.78 -0.67 0.00 0.00 178.83 179.63 2pu4 h GLY 251 N 1.03 0.78 0.93 3.46 0.00 0.18 0.15 103.07 109.60 2pu4 h GLY 251 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2pu4 h GLY 251 CO -0.10 0.15 0.12 -2.22 0.00 0.00 0.00 176.54 174.49 2pu4 h ILE 252 N 0.58 1.14 -0.28 2.60 2.04 -1.15 -0.59 117.51 121.84 2pu4 h ILE 252 Ca 0.24 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.75 2pu4 h ILE 252 Cb 0.11 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2pu4 h ILE 252 CO -0.14 0.14 0.03 1.56 0.00 0.00 0.00 178.15 179.73 2pu4 h GLN 253 N 0.27 0.12 -0.40 2.37 4.20 -1.14 -2.24 115.11 118.29 2pu4 h GLN 253 Ca 0.08 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.82 2pu4 h GLN 253 Cb 0.11 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2pu4 h GLN 253 CO -0.01 0.08 0.27 -0.07 -0.67 0.00 0.00 178.83 178.43 2pu4 h LEU 254 N 0.13 0.37 -1.21 1.46 3.38 -0.47 -2.10 115.31 116.87 2pu4 h LEU 254 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pu4 h LEU 254 Cb 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2pu4 h LEU 254 CO -0.19 0.26 -0.01 0.00 0.09 0.00 0.00 178.44 178.59 2pu4 h ALA 255 N 1.77 1.00 -0.64 1.53 0.00 -0.50 -2.86 119.26 119.57 2pu4 h ALA 255 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pu4 h ALA 255 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2pu4 h ALA 255 CO -0.04 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2pu4 n GLN 256 N -3.11 2.79 -2.27 0.00 6.02 -0.81 -1.11 117.38 118.89 2pu4 n GLN 256 Ca 0.01 -2.52 -0.33 0.00 -0.01 0.00 0.00 57.00 54.15 2pu4 n GLN 256 Cb 0.35 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.10 2pu4 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2pu4 s SER 257 N -1.00 6.06 -0.46 1.08 0.01 -1.08 -3.85 113.70 114.46 2pu4 s SER 257 Ca 0.43 1.85 -0.17 0.00 1.31 0.00 0.00 55.95 59.37 2pu4 s SER 257 Cb 0.22 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.96 2pu4 s SER 257 CO 0.29 -0.98 0.44 -0.13 0.41 0.00 0.00 173.24 173.27 2pu4 s ARG 258 N -3.73 3.03 -0.13 12.44 0.52 0.17 -3.98 118.95 127.27 2pu4 s ARG 258 Ca 0.65 -1.08 0.11 0.00 -0.52 0.00 0.00 55.73 54.89 2pu4 s ARG 258 Cb -0.16 -4.07 -0.23 0.00 0.52 0.00 0.00 34.95 31.01 2pu4 s ARG 258 CO 0.30 -1.00 0.32 0.66 0.02 0.00 0.00 175.30 175.60 2pu4 n TYR 259 N 5.50 0.58 -3.85 -0.53 4.01 -0.85 -2.64 117.16 119.37 2pu4 n TYR 259 Ca -0.10 0.18 -0.12 0.00 -0.16 0.00 0.00 57.90 57.71 2pu4 n TYR 259 Cb 0.45 -1.10 -0.10 0.00 -0.31 0.00 0.00 39.34 38.28 2pu4 n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2pu4 s TRP 260 N -2.55 -0.01 -0.07 -0.72 0.52 -1.24 -1.89 118.94 112.98 2pu4 s TRP 260 Ca -0.12 -0.01 0.02 0.00 0.02 0.00 0.00 56.10 56.01 2pu4 s TRP 260 Cb 0.07 -0.02 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 2pu4 s TRP 260 CO 0.80 -0.28 -0.13 -1.14 0.02 0.00 0.00 176.95 176.22 2pu4 s GLN 261 N -1.22 2.70 -0.07 4.98 0.74 -0.36 -1.50 119.66 124.92 2pu4 s GLN 261 Ca -0.13 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 2pu4 s GLN 261 Cb -0.07 -2.46 0.03 0.00 1.10 0.00 0.00 33.01 31.62 2pu4 s GLN 261 CO 0.02 0.56 0.02 -0.08 -0.55 0.00 0.00 175.29 175.25 2pu4 s THR 262 N -0.56 0.29 0.00 -0.34 -1.32 -0.30 -1.69 115.64 111.72 2pu4 s THR 262 Ca 0.08 0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.69 2pu4 s THR 262 Cb -0.12 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 2pu4 s THR 262 CO 0.01 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 2pu4 n GLY 263 N 5.17 3.65 0.76 6.08 0.00 -1.26 -1.76 105.19 117.82 2pu4 n GLY 263 Ca -0.06 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2pu4 n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pu4 n ASP 264 N 5.17 2.30 -4.81 1.61 5.75 -1.26 -4.93 116.55 120.38 2pu4 n ASP 264 Ca 0.00 -1.79 -0.33 0.00 -0.01 0.00 0.00 54.79 52.66 2pu4 n ASP 264 Cb 0.00 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 39.91 2pu4 n ASP 264 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2pu4 s MET 265 N -1.77 3.14 -0.07 0.11 1.75 -0.72 -4.46 119.30 117.28 2pu4 s MET 265 Ca 0.34 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.39 2pu4 s MET 265 Cb 0.20 -2.91 -0.01 0.00 2.84 0.00 0.00 34.83 34.95 2pu4 s MET 265 CO 0.29 0.65 -0.24 0.71 -0.65 0.00 0.00 175.02 175.79 2pu4 s TYR 266 N -1.22 2.40 -0.22 4.11 2.02 0.09 -1.15 117.35 123.37 2pu4 s TYR 266 Ca 0.24 -0.79 -0.25 0.00 -0.37 0.00 0.00 57.07 55.89 2pu4 s TYR 266 Cb -0.12 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.85 2pu4 s TYR 266 CO 0.15 -0.27 0.84 -1.14 -1.57 0.00 0.00 175.55 173.55 2pu4 s GLN 267 N 0.01 4.21 0.00 -0.62 2.00 -0.56 -1.21 119.66 123.49 2pu4 s GLN 267 Ca -0.08 0.98 0.00 0.00 -2.00 0.00 0.00 55.36 54.26 2pu4 s GLN 267 Cb -0.15 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.03 2pu4 s GLN 267 CO 0.05 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.77 2pu4 n GLY 268 N 3.66 2.09 3.42 2.59 0.00 -0.68 -2.01 105.19 114.26 2pu4 n GLY 268 Ca 0.06 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 2pu4 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pu4 s LEU 269 N 0.00 5.03 0.00 0.99 1.43 -0.27 -4.60 118.68 121.25 2pu4 s LEU 269 Ca 0.00 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 2pu4 s LEU 269 Cb 0.00 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2pu4 s LEU 269 CO 0.00 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.14 2pu4 n GLY 270 N 5.23 1.84 3.71 -3.19 0.00 -1.26 -4.35 105.19 107.16 2pu4 n GLY 270 Ca -0.07 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 2pu4 n GLY 270 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2pu4 n TRP 271 N 0.00 1.82 -4.51 1.61 7.02 -1.26 -4.64 117.44 117.48 2pu4 n TRP 271 Ca 0.00 0.43 -0.29 0.00 -1.02 0.00 0.00 57.50 56.62 2pu4 n TRP 271 Cb 0.00 -2.28 -0.13 0.00 -2.42 0.00 0.00 31.31 26.48 2pu4 n TRP 271 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2pu4 s GLU 272 N -3.02 1.61 0.06 -0.99 2.02 -0.98 -1.69 118.70 115.71 2pu4 s GLU 272 Ca 0.77 -1.24 0.03 0.00 0.02 0.00 0.00 54.97 54.54 2pu4 s GLU 272 Cb -0.41 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 2pu4 s GLU 272 CO 0.45 0.48 -0.09 -1.64 0.02 0.00 0.00 175.26 174.48 2pu4 s MET 273 N -1.84 0.64 0.04 1.61 -1.94 -0.35 -1.27 119.30 116.19 2pu4 s MET 273 Ca 0.14 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.24 2pu4 s MET 273 Cb -0.10 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.29 2pu4 s MET 273 CO 0.06 0.07 -0.04 -0.51 -0.01 0.00 0.00 175.02 174.59 2pu4 s LEU 274 N -1.81 2.36 0.39 -0.03 1.02 -0.50 -0.74 118.68 119.37 2pu4 s LEU 274 Ca -0.05 -0.73 -0.27 0.00 0.02 0.00 0.00 54.13 53.10 2pu4 s LEU 274 Cb -0.08 0.08 -0.09 0.00 0.02 0.00 0.00 46.19 46.12 2pu4 s LEU 274 CO 0.00 -0.41 1.37 -1.81 0.02 0.00 0.00 176.35 175.52 2pu4 s ASP 275 N -2.14 6.33 -0.08 2.29 1.01 -1.26 -0.52 116.67 122.29 2pu4 s ASP 275 Ca -0.04 2.80 -0.12 0.00 0.71 0.00 0.00 52.55 55.89 2pu4 s ASP 275 Cb -0.02 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 2pu4 s ASP 275 CO -0.04 -0.85 0.30 0.86 0.21 0.00 0.00 175.17 175.65 2pu4 s TRP 276 N -1.20 3.61 0.44 4.23 -0.11 -0.47 -3.31 118.94 122.14 2pu4 s TRP 276 Ca 0.55 0.75 -0.23 0.00 1.22 0.00 0.00 56.10 58.39 2pu4 s TRP 276 Cb -0.41 -2.22 -0.08 0.00 -1.50 0.00 0.00 33.47 29.26 2pu4 s TRP 276 CO 0.54 0.54 1.11 -1.25 -4.62 0.00 0.00 176.95 173.27 2pu4 s PRO 277 N -0.57 3.90 0.21 5.86 0.04 -1.26 -4.81 135.00 138.37 2pu4 s PRO 277 Ca 0.19 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.88 2pu4 s PRO 277 Cb -0.14 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 2pu4 s PRO 277 CO 0.08 -0.39 0.36 0.14 0.04 0.00 0.00 177.00 177.23 2pu4 s VAL 278 N -1.63 5.25 -0.40 -0.36 -7.23 -1.21 -5.07 120.40 109.75 2pu4 s VAL 278 Ca 0.62 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.86 2pu4 s VAL 278 Cb -0.25 -3.78 0.02 0.00 0.56 0.00 0.00 36.38 32.93 2pu4 s VAL 278 CO 0.30 -0.22 1.13 0.21 -0.31 0.00 0.00 175.10 176.21 2pu4 s ASN 279 N -3.47 6.76 0.37 4.85 2.47 -1.26 -4.94 114.94 119.71 2pu4 s ASN 279 Ca 0.36 0.78 0.04 0.00 0.42 0.00 0.00 52.86 54.47 2pu4 s ASN 279 Cb -0.10 -2.55 0.72 0.00 -1.45 0.00 0.00 41.25 37.87 2pu4 s ASN 279 CO 0.30 -1.09 2.01 1.55 -3.72 0.00 0.00 177.10 176.15 2pu4 h PRO 280 N 8.78 0.73 -0.62 0.43 0.13 -2.00 -1.75 132.00 137.71 2pu4 h PRO 280 Ca -0.22 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2pu4 h PRO 280 Cb 1.06 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.00 2pu4 h PRO 280 CO 1.08 0.49 0.30 -0.44 -0.23 0.00 0.00 178.00 179.20 2pu4 h ASP 281 N 0.76 0.78 -0.22 1.44 3.32 -1.98 -0.19 116.42 120.33 2pu4 h ASP 281 Ca 0.23 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2pu4 h ASP 281 Cb -0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2pu4 h ASP 281 CO -0.06 0.66 0.10 -1.28 -1.72 0.00 0.00 179.24 176.94 2pu4 h SER 282 N 0.87 0.29 0.34 6.45 0.87 -1.74 0.13 113.55 120.76 2pu4 h SER 282 Ca 0.22 -0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.44 2pu4 h SER 282 Cb 0.08 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2pu4 h SER 282 CO -0.03 0.34 -0.84 0.16 -0.53 0.00 0.00 176.83 175.93 2pu4 h ILE 283 N 0.21 1.41 0.37 2.23 3.07 -1.34 -1.95 117.51 121.52 2pu4 h ILE 283 Ca 0.07 -2.34 -0.02 0.00 1.55 0.00 0.00 64.86 64.12 2pu4 h ILE 283 Cb 0.13 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 2pu4 h ILE 283 CO -0.01 0.70 -0.18 0.40 -1.05 0.00 0.00 178.15 178.01 2pu4 h ILE 284 N 0.23 0.49 -0.80 0.16 2.04 -0.92 -2.94 117.51 115.77 2pu4 h ILE 284 Ca -0.05 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 2pu4 h ILE 284 Cb 1.45 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2pu4 h ILE 284 CO 0.14 0.09 0.39 0.78 0.00 0.00 0.00 178.15 179.56 2pu4 h ASN 285 N -0.92 1.03 0.37 1.72 2.35 -0.88 -2.80 115.58 116.44 2pu4 h ASN 285 Ca -0.05 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2pu4 h ASN 285 Cb 0.54 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2pu4 h ASN 285 CO 0.08 0.87 0.00 0.61 -1.65 0.00 0.00 177.43 177.34 2pu4 n GLY 286 N -1.01 -1.06 0.11 2.83 0.00 -0.73 -2.40 105.19 102.93 2pu4 n GLY 286 Ca 0.07 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2pu4 n GLY 286 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pu4 h SER 287 N 0.00 0.00 -2.79 1.61 4.64 -1.30 -3.24 113.55 112.48 2pu4 h SER 287 Ca 0.00 -0.05 -0.52 0.00 -0.47 0.00 0.00 61.79 60.74 2pu4 h SER 287 Cb 0.19 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.33 2pu4 h SER 287 CO 0.00 0.03 0.93 -0.62 -0.87 0.00 0.00 176.83 176.29 2pu4 s ASP 288 N -4.66 6.51 0.57 4.97 3.68 -1.01 -4.62 116.67 122.11 2pu4 s ASP 288 Ca 0.09 2.72 0.26 0.00 2.13 0.00 0.00 52.55 57.75 2pu4 s ASP 288 Cb 0.12 -2.60 1.61 0.00 -1.45 0.00 0.00 42.92 40.60 2pu4 s ASP 288 CO 0.64 -0.88 2.15 0.78 0.13 0.00 0.00 175.17 177.99 2pu4 h ASN 289 N 6.72 0.00 -0.37 -0.34 2.35 -1.90 0.17 115.58 122.21 2pu4 h ASN 289 Ca -0.43 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.37 2pu4 h ASN 289 Cb 1.20 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 2pu4 h ASN 289 CO 0.92 0.00 0.25 0.07 -1.65 0.00 0.00 177.43 177.03 2pu4 h LYS 290 N 0.00 0.28 0.00 0.81 2.10 -1.95 -1.20 116.57 116.62 2pu4 h LYS 290 Ca 0.06 -0.02 -0.26 0.00 -2.00 0.00 0.00 60.65 58.43 2pu4 h LYS 290 Cb 0.30 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.53 2pu4 h LYS 290 CO -0.00 0.19 -1.67 -0.89 -2.00 0.00 0.00 179.45 175.07 2pu4 n ILE 291 N -4.48 1.51 0.16 0.07 5.41 0.35 -4.24 119.36 118.14 2pu4 n ILE 291 Ca 0.04 -0.12 0.16 0.00 1.00 0.00 0.00 62.75 63.83 2pu4 n ILE 291 Cb 0.23 -2.07 0.74 0.00 -0.71 0.00 0.00 39.64 37.83 2pu4 n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pu4 h ALA 292 N -0.86 2.07 -0.27 -1.39 0.00 -0.86 -2.31 119.26 115.64 2pu4 h ALA 292 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2pu4 h ALA 292 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2pu4 h ALA 292 CO -0.24 -0.33 0.00 1.28 0.00 0.00 0.00 179.25 179.96 2pu4 n LEU 293 N -4.18 3.22 -4.87 0.00 4.77 -0.45 -4.50 117.00 110.99 2pu4 n LEU 293 Ca 0.03 -1.36 -0.32 0.00 -0.03 0.00 0.00 56.01 54.33 2pu4 n LEU 293 Cb 0.35 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2pu4 n LEU 293 CO 0.32 0.66 0.27 0.00 -1.33 0.00 0.00 177.39 177.31 2pu4 s ALA 294 N -1.55 3.50 0.32 -1.18 0.00 -0.87 -4.61 121.76 117.36 2pu4 s ALA 294 Ca 0.33 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2pu4 s ALA 294 Cb 0.21 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.70 2pu4 s ALA 294 CO 0.29 0.46 1.33 0.00 0.00 0.00 0.00 175.76 177.84 2pu4 s ALA 295 N -1.84 3.52 -0.01 0.00 0.00 -1.26 -4.71 121.76 117.46 2pu4 s ALA 295 Ca 0.49 1.27 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 2pu4 s ALA 295 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2pu4 s ALA 295 CO 0.20 -0.66 0.04 1.03 0.00 0.00 0.00 175.76 176.37 2pu4 s ARG 296 N -1.54 0.12 0.32 0.00 1.81 -0.67 -4.97 118.95 114.02 2pu4 s ARG 296 Ca 0.51 -0.07 -0.29 0.00 -1.72 0.00 0.00 55.73 54.16 2pu4 s ARG 296 Cb -0.40 0.05 -0.10 0.00 -0.45 0.00 0.00 34.95 34.05 2pu4 s ARG 296 CO 0.51 -0.02 1.25 -2.14 -0.68 0.00 0.00 175.30 174.22 2pu4 s PRO 297 N -0.29 4.40 -0.02 3.54 0.02 -1.26 -0.87 135.00 140.51 2pu4 s PRO 297 Ca -0.03 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2pu4 s PRO 297 Cb -0.02 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 2pu4 s PRO 297 CO -0.00 -0.10 -0.10 0.14 -0.33 0.00 0.00 177.00 176.60 2pu4 s VAL 298 N -1.16 3.39 -0.15 3.83 -7.23 -0.73 -4.58 120.40 113.77 2pu4 s VAL 298 Ca 0.48 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.84 2pu4 s VAL 298 Cb -0.37 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2pu4 s VAL 298 CO 0.49 0.49 0.07 -0.54 -0.31 0.00 0.00 175.10 175.30 2pu4 s LYS 299 N -1.10 3.64 0.29 4.82 1.02 -0.68 -4.83 119.74 122.89 2pu4 s LYS 299 Ca 0.14 -0.30 -0.29 0.00 0.02 0.00 0.00 55.97 55.54 2pu4 s LYS 299 Cb -0.11 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 2pu4 s LYS 299 CO 0.04 0.50 1.19 0.00 -0.92 0.00 0.00 175.35 176.15 2pu4 s ALA 300 N -0.25 3.45 -0.42 5.17 0.00 -1.26 -1.22 121.76 127.21 2pu4 s ALA 300 Ca 0.08 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 2pu4 s ALA 300 Cb -0.12 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.64 2pu4 s ALA 300 CO 0.01 -0.36 0.33 0.42 0.00 0.00 0.00 175.76 176.17 2pu4 s ILE 301 N -1.03 5.23 -0.34 0.00 1.01 -0.79 -4.89 121.20 120.39 2pu4 s ILE 301 Ca 0.47 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2pu4 s ILE 301 Cb -0.35 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.24 2pu4 s ILE 301 CO 0.45 -0.37 0.06 -0.89 0.00 0.00 0.00 174.94 174.19 2pu4 s THR 302 N 1.73 2.18 0.70 2.92 2.01 -1.26 -2.15 115.64 121.77 2pu4 s THR 302 Ca 0.06 -2.30 -0.07 0.00 0.31 0.00 0.00 61.69 59.68 2pu4 s THR 302 Cb -0.20 -2.62 0.05 0.00 0.01 0.00 0.00 72.50 69.75 2pu4 s THR 302 CO 0.10 -0.61 1.02 -2.16 -0.69 0.00 0.00 174.62 172.28 2pu4 s PRO 303 N 0.93 2.33 0.33 4.92 0.04 -1.26 -5.10 135.00 137.18 2pu4 s PRO 303 Ca 0.11 -0.13 -0.29 0.00 0.04 0.00 0.00 61.00 60.74 2pu4 s PRO 303 Cb -0.19 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 2pu4 s PRO 303 CO -0.09 -1.18 1.41 -2.30 0.04 0.00 0.00 177.00 174.87 2pu4 n PRO 304 N -2.92 2.36 -2.34 0.56 -0.02 -0.91 -4.95 135.00 126.77 2pu4 n PRO 304 Ca 0.07 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 2pu4 n PRO 304 Cb 0.60 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2pu4 n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2pu4 s THR 305 N -0.82 4.10 0.67 3.45 2.01 -1.08 -4.83 115.64 119.14 2pu4 s THR 305 Ca 0.58 1.37 -0.17 0.00 0.31 0.00 0.00 61.69 63.78 2pu4 s THR 305 Cb -0.54 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.09 2pu4 s THR 305 CO 0.59 -0.08 1.28 -2.84 -0.69 0.00 0.00 174.62 172.88 2pu4 s PRO 306 N 3.19 2.43 -0.25 4.92 0.02 -1.26 -0.66 135.00 143.40 2pu4 s PRO 306 Ca 0.59 2.00 -0.24 0.00 0.02 0.00 0.00 61.00 63.38 2pu4 s PRO 306 Cb -0.25 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 2pu4 s PRO 306 CO 0.20 -1.68 0.80 0.00 -0.33 0.00 0.00 177.00 175.99 2pu4 n ALA 307 N -2.11 -0.68 -2.63 -1.55 0.00 -1.25 -4.79 120.51 107.50 2pu4 n ALA 307 Ca 0.15 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 2pu4 n ALA 307 Cb 0.49 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 2pu4 n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pu4 s VAL 308 N 1.50 5.19 0.25 0.00 1.01 -1.26 -4.98 120.40 122.11 2pu4 s VAL 308 Ca 0.53 0.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.05 2pu4 s VAL 308 Cb -0.75 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.12 2pu4 s VAL 308 CO 0.41 0.19 1.84 0.03 0.00 0.00 0.00 175.10 177.58 2pu4 h ARG 309 N 7.88 1.11 -3.76 2.72 2.47 -1.97 -3.18 114.38 119.65 2pu4 h ARG 309 Ca -0.33 -0.16 -0.72 0.00 -1.26 0.00 0.00 59.98 57.50 2pu4 h ARG 309 Cb 1.16 -0.20 -0.07 0.00 -1.65 0.00 0.00 29.97 29.21 2pu4 h ARG 309 CO 0.67 0.86 2.84 0.00 0.56 0.00 0.00 179.97 184.90 2pu4 n ALA 310 N -2.43 5.65 -2.66 0.04 0.00 -1.26 -1.01 120.51 118.84 2pu4 n ALA 310 Ca 0.07 -3.99 -0.17 0.00 0.00 0.00 0.00 53.44 49.35 2pu4 n ALA 310 Cb 0.14 -3.35 -0.12 0.00 0.00 0.00 0.00 19.45 16.13 2pu4 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2pu4 s SER 311 N 2.38 1.55 -0.35 0.00 0.01 -1.21 -1.37 113.70 114.71 2pu4 s SER 311 Ca 0.46 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.87 2pu4 s SER 311 Cb 0.13 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.33 2pu4 s SER 311 CO -0.06 -0.14 0.50 0.86 0.41 0.00 0.00 173.24 174.81 2pu4 s TRP 312 N -1.63 3.18 -0.15 2.43 -0.11 0.32 -3.98 118.94 119.00 2pu4 s TRP 312 Ca -0.00 0.16 -0.03 0.00 1.22 0.00 0.00 56.10 57.45 2pu4 s TRP 312 Cb -0.08 -2.91 -0.03 0.00 -1.50 0.00 0.00 33.47 28.95 2pu4 s TRP 312 CO 0.02 -0.54 -0.05 0.08 -4.62 0.00 0.00 176.95 171.84 2pu4 s VAL 313 N 2.37 3.77 0.21 5.86 1.01 -0.02 -1.41 120.40 132.20 2pu4 s VAL 313 Ca 0.18 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2pu4 s VAL 313 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2pu4 s VAL 313 CO 0.13 0.50 0.48 -1.38 0.00 0.00 0.00 175.10 174.83 2pu4 s HIS 314 N 0.36 0.15 -0.26 5.22 -0.00 -0.40 -0.84 115.29 119.52 2pu4 s HIS 314 Ca -0.05 -0.51 -0.16 0.00 -0.00 0.00 0.00 55.06 54.34 2pu4 s HIS 314 Cb -0.14 0.26 0.07 0.00 -0.00 0.00 0.00 32.58 32.77 2pu4 s HIS 314 CO 0.03 -0.93 0.65 0.21 -0.00 0.00 0.00 174.74 174.70 2pu4 s LYS 315 N -3.95 0.68 0.41 -0.38 2.47 -0.33 -2.32 119.74 116.32 2pu4 s LYS 315 Ca 0.16 1.12 -0.05 0.00 -1.56 0.00 0.00 55.97 55.63 2pu4 s LYS 315 Cb -0.00 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 2pu4 s LYS 315 CO 0.03 -0.14 0.69 0.95 0.16 0.00 0.00 175.35 177.04 2pu4 s THR 316 N 1.39 4.95 -0.06 3.43 -4.23 -1.26 -1.90 115.64 117.95 2pu4 s THR 316 Ca -0.08 0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.32 2pu4 s THR 316 Cb -0.05 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.01 2pu4 s THR 316 CO -0.15 -0.64 0.49 -0.83 -0.54 0.00 0.00 174.62 172.95 2pu4 s GLY 317 N -3.76 -0.36 0.08 3.99 0.00 -0.42 -3.71 107.32 103.14 2pu4 s GLY 317 Ca 0.46 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 45.97 2pu4 s GLY 317 CO 0.38 0.64 0.27 0.00 0.00 0.00 0.00 173.10 174.39 2pu4 s ALA 318 N -1.00 -0.52 0.13 3.20 0.00 -1.26 -0.70 121.76 121.60 2pu4 s ALA 318 Ca -0.10 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.58 2pu4 s ALA 318 Cb -0.03 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2pu4 s ALA 318 CO 0.06 -0.51 0.06 0.25 0.00 0.00 0.00 175.76 175.63 2pu4 n THR 319 N 0.11 0.00 -0.26 0.00 -2.24 -0.72 -4.03 114.28 107.14 2pu4 n THR 319 Ca -0.16 -0.82 0.06 0.00 -2.27 0.00 0.00 64.05 60.86 2pu4 n THR 319 Cb 0.62 0.33 0.20 0.00 -2.10 0.00 0.00 70.33 69.38 2pu4 n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2pu4 h GLY 320 N 0.60 1.14 -0.13 3.38 0.00 -1.97 -3.23 103.07 102.86 2pu4 h GLY 320 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2pu4 h GLY 320 CO 0.16 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.14 2pu4 n GLY 321 N -1.34 1.53 3.17 4.60 0.00 -1.26 -4.46 105.19 107.44 2pu4 n GLY 321 Ca 0.15 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 2pu4 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pu4 s PHE 322 N -0.70 1.11 -0.08 1.61 0.40 -1.22 -2.20 117.98 116.89 2pu4 s PHE 322 Ca 0.02 -0.57 -0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2pu4 s PHE 322 Cb 0.01 -0.61 0.04 0.00 0.51 0.00 0.00 43.02 42.97 2pu4 s PHE 322 CO 0.02 0.03 0.07 0.20 0.70 0.00 0.00 175.22 176.24 2pu4 s GLY 323 N -2.16 0.26 0.28 4.36 0.00 -0.70 -1.76 107.32 107.60 2pu4 s GLY 323 Ca 0.02 0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.85 2pu4 s GLY 323 CO 0.01 1.49 -0.09 -1.35 0.00 0.00 0.00 173.10 173.16 2pu4 s SER 324 N 2.16 3.04 -0.25 1.64 1.04 0.12 -1.74 113.70 119.71 2pu4 s SER 324 Ca 0.04 -1.15 -0.19 0.00 0.48 0.00 0.00 55.95 55.13 2pu4 s SER 324 Cb -0.13 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.84 2pu4 s SER 324 CO -0.05 -0.24 0.64 -0.47 0.98 0.00 0.00 173.24 174.10 2pu4 s TYR 325 N -2.86 -0.80 -0.03 5.02 5.04 -0.61 -1.30 117.35 121.80 2pu4 s TYR 325 Ca 0.29 1.81 0.03 0.00 -2.44 0.00 0.00 57.07 56.76 2pu4 s TYR 325 Cb 0.02 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.69 2pu4 s TYR 325 CO 0.12 -0.40 -0.11 0.08 -1.34 0.00 0.00 175.55 173.91 2pu4 s VAL 326 N 0.81 0.92 -0.10 3.14 1.01 -0.80 -0.63 120.40 124.75 2pu4 s VAL 326 Ca -0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 2pu4 s VAL 326 Cb -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2pu4 s VAL 326 CO -0.06 0.28 0.27 0.00 0.00 0.00 0.00 175.10 175.59 2pu4 s ALA 327 N 0.23 -0.67 0.07 5.51 0.00 -0.72 -1.18 121.76 125.00 2pu4 s ALA 327 Ca -0.04 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 2pu4 s ALA 327 Cb -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2pu4 s ALA 327 CO 0.01 -0.13 0.34 -0.59 0.00 0.00 0.00 175.76 175.38 2pu4 s PHE 328 N 0.07 -0.14 -0.30 0.00 -0.71 -0.02 -0.33 117.98 116.56 2pu4 s PHE 328 Ca -0.01 -0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.85 2pu4 s PHE 328 Cb -0.02 0.14 0.09 0.00 -1.21 0.00 0.00 43.02 42.02 2pu4 s PHE 328 CO 0.01 -0.57 0.05 0.42 -1.34 0.00 0.00 175.22 173.79 2pu4 s ILE 329 N -2.94 1.50 0.36 -4.49 1.01 -0.09 -0.84 121.20 115.72 2pu4 s ILE 329 Ca -0.02 -1.69 0.06 0.00 0.00 0.00 0.00 60.65 59.00 2pu4 s ILE 329 Cb 0.00 -2.05 0.29 0.00 0.01 0.00 0.00 42.46 40.72 2pu4 s ILE 329 CO -0.06 -0.53 1.96 -0.65 0.00 0.00 0.00 174.94 175.67 2pu4 h PRO 330 N 7.89 0.72 -0.16 2.79 0.11 -1.68 -1.47 132.00 140.20 2pu4 h PRO 330 Ca -0.11 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 2pu4 h PRO 330 Cb 1.03 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 2pu4 h PRO 330 CO 0.47 0.48 0.03 1.49 -0.21 0.00 0.00 178.00 180.26 2pu4 h GLU 331 N 0.74 0.23 -0.02 1.05 4.81 -1.38 -2.60 114.58 117.42 2pu4 h GLU 331 Ca 0.30 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2pu4 h GLU 331 Cb 0.24 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2pu4 h GLU 331 CO -0.10 0.23 -0.34 1.63 -0.73 0.00 0.00 179.01 179.70 2pu4 n LYS 332 N -4.43 1.46 -3.74 1.92 4.76 -0.61 -4.97 118.16 112.56 2pu4 n LYS 332 Ca -0.01 -1.19 -0.25 0.00 -2.87 0.00 0.00 58.31 53.99 2pu4 n LYS 332 Cb 0.14 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 31.91 2pu4 n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2pu4 n GLU 333 N 0.27 -6.11 -4.42 1.97 1.02 -0.88 -4.57 120.64 107.92 2pu4 n GLU 333 Ca 0.11 0.69 -0.21 0.00 -0.02 0.00 0.00 57.16 57.72 2pu4 n GLU 333 Cb 0.49 -5.56 -0.16 0.00 -0.02 0.00 0.00 31.44 26.20 2pu4 n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2pu4 s LEU 334 N -7.06 1.77 0.21 -4.62 2.96 -1.18 -2.34 118.68 108.42 2pu4 s LEU 334 Ca 0.42 -0.20 -0.21 0.00 -0.22 0.00 0.00 54.13 53.92 2pu4 s LEU 334 Cb -0.20 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 45.94 2pu4 s LEU 334 CO 0.79 0.06 0.63 -0.83 -1.32 0.00 0.00 176.35 175.68 2pu4 s GLY 335 N 0.24 -0.30 0.01 7.98 0.00 -0.41 -0.91 107.32 113.93 2pu4 s GLY 335 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 2pu4 s GLY 335 CO 0.01 -0.03 -0.00 -1.50 0.00 0.00 0.00 173.10 171.57 2pu4 s ILE 336 N -3.84 0.06 -0.11 0.90 2.07 0.55 -0.43 121.20 120.40 2pu4 s ILE 336 Ca 0.07 -0.52 0.02 0.00 -1.41 0.00 0.00 60.65 58.82 2pu4 s ILE 336 Cb -0.03 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.40 2pu4 s ILE 336 CO -0.03 -0.28 -0.18 -0.69 -1.91 0.00 0.00 174.94 171.85 2pu4 s VAL 337 N -0.84 1.69 -0.21 4.00 1.01 -0.31 -1.75 120.40 124.00 2pu4 s VAL 337 Ca -0.09 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.13 2pu4 s VAL 337 Cb -0.06 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.84 2pu4 s VAL 337 CO -0.00 0.48 -0.17 -0.04 0.00 0.00 0.00 175.10 175.37 2pu4 s MET 338 N 0.81 2.70 -0.15 2.72 -1.94 0.19 -1.03 119.30 122.59 2pu4 s MET 338 Ca -0.09 -1.01 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 2pu4 s MET 338 Cb -0.16 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 34.02 2pu4 s MET 338 CO 0.01 -0.34 -0.18 -0.51 -0.01 0.00 0.00 175.02 173.99 2pu4 s LEU 339 N 1.23 2.31 0.04 -0.03 1.43 0.03 -1.57 118.68 122.12 2pu4 s LEU 339 Ca -0.00 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 2pu4 s LEU 339 Cb -0.16 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2pu4 s LEU 339 CO -0.10 0.07 -0.08 0.00 0.23 0.00 0.00 176.35 176.47 2pu4 s ALA 340 N 0.89 0.63 -0.58 4.21 0.00 -0.71 -1.18 121.76 125.01 2pu4 s ALA 340 Ca -0.04 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 2pu4 s ALA 340 Cb -0.15 0.03 0.41 0.00 0.00 0.00 0.00 23.12 23.40 2pu4 s ALA 340 CO -0.02 0.00 2.03 0.27 0.00 0.00 0.00 175.76 178.03 2pu4 n ASN 341 N 1.49 7.28 -3.85 0.00 6.94 -0.97 -1.72 115.26 124.43 2pu4 n ASN 341 Ca -0.22 -3.62 -0.12 0.00 -0.02 0.00 0.00 54.58 50.60 2pu4 n ASN 341 Cb 0.55 -0.99 -0.12 0.00 -2.36 0.00 0.00 39.78 36.86 2pu4 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2pu4 s LYS 342 N -3.37 0.21 -0.73 -3.83 2.20 -0.94 -1.72 119.74 111.56 2pu4 s LYS 342 Ca 0.57 0.01 -0.24 0.00 -0.36 0.00 0.00 55.97 55.96 2pu4 s LYS 342 Cb 0.45 0.09 0.06 0.00 -1.51 0.00 0.00 37.83 36.92 2pu4 s LYS 342 CO -0.00 -0.04 1.11 1.21 -0.36 0.00 0.00 175.35 177.27 2pu4 s ASN 343 N -0.29 6.22 0.32 1.43 2.47 -1.25 -2.12 114.94 121.71 2pu4 s ASN 343 Ca -0.04 -0.90 0.08 0.00 0.42 0.00 0.00 52.86 52.42 2pu4 s ASN 343 Cb -0.03 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 2pu4 s ASN 343 CO 0.00 -1.56 0.15 -0.72 -3.72 0.00 0.00 177.10 171.26 2pu4 s TYR 344 N 4.61 2.80 0.28 0.43 -0.85 -1.26 -4.95 117.35 118.40 2pu4 s TYR 344 Ca 0.29 -0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 56.23 2pu4 s TYR 344 Cb -0.12 -1.56 -0.13 0.00 0.38 0.00 0.00 41.96 40.53 2pu4 s TYR 344 CO 0.09 0.38 1.37 -2.30 -1.52 0.00 0.00 175.55 173.57 2pu4 n PRO 345 N -1.15 2.08 -0.22 -3.49 -0.02 -1.26 -4.91 135.00 126.02 2pu4 n PRO 345 Ca -0.04 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 2pu4 n PRO 345 Cb 0.60 -2.36 0.14 0.00 -0.02 0.00 0.00 33.50 31.85 2pu4 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2pu4 h ASN 346 N 3.62 -0.11 -0.13 2.55 2.35 -1.97 -2.50 115.58 119.38 2pu4 h ASN 346 Ca -0.45 0.14 0.04 0.00 -0.55 0.00 0.00 56.30 55.48 2pu4 h ASN 346 Cb 1.28 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 2pu4 h ASN 346 CO 0.71 -0.07 0.10 -0.65 -1.65 0.00 0.00 177.43 175.88 2pu4 h PRO 347 N 0.20 0.00 -0.28 0.81 0.11 -1.82 -1.33 132.00 129.69 2pu4 h PRO 347 Ca 0.36 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.38 2pu4 h PRO 347 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2pu4 h PRO 347 CO -0.50 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 177.08 2pu4 h ALA 348 N 1.92 1.13 0.34 -0.75 0.00 -1.80 -0.19 119.26 119.91 2pu4 h ALA 348 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2pu4 h ALA 348 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2pu4 h ALA 348 CO -0.00 0.55 -0.17 0.00 0.00 0.00 0.00 179.25 179.63 2pu4 h ARG 349 N 0.46 -0.44 -0.53 0.00 3.08 -1.28 -2.50 114.38 113.16 2pu4 h ARG 349 Ca 0.07 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.18 2pu4 h ARG 349 Cb 0.62 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.73 2pu4 h ARG 349 CO 0.04 -0.12 0.32 0.28 -1.07 0.00 0.00 179.97 179.42 2pu4 h VAL 350 N -0.84 1.05 -0.07 2.04 2.07 -1.46 -0.90 116.25 118.14 2pu4 h VAL 350 Ca -0.05 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2pu4 h VAL 350 Cb 0.53 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 2pu4 h VAL 350 CO 0.08 0.11 -0.38 -0.78 0.02 0.00 0.00 177.57 176.62 2pu4 h ASP 351 N 0.63 -1.18 -0.35 0.57 -0.00 -1.09 -1.00 116.42 114.00 2pu4 h ASP 351 Ca 0.21 0.15 0.01 0.00 -0.00 0.00 0.00 57.03 57.41 2pu4 h ASP 351 Cb 0.03 0.48 -0.02 0.00 -0.00 0.00 0.00 39.33 39.81 2pu4 h ASP 351 CO -0.10 -0.42 0.22 0.00 -0.00 0.00 0.00 179.24 178.95 2pu4 h ALA 352 N 0.16 0.45 -0.68 -0.78 0.00 -1.21 -2.27 119.26 114.92 2pu4 h ALA 352 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2pu4 h ALA 352 Cb 0.61 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2pu4 h ALA 352 CO -0.34 -0.11 0.37 0.00 0.00 0.00 0.00 179.25 179.17 2pu4 h ALA 353 N 1.14 0.92 -0.72 0.00 0.00 -1.06 -2.16 119.26 117.37 2pu4 h ALA 353 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pu4 h ALA 353 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2pu4 h ALA 353 CO -0.04 0.03 0.40 2.35 0.00 0.00 0.00 179.25 181.99 2pu4 h TRP 354 N 0.68 0.99 -0.52 0.00 2.91 -0.97 -0.58 115.95 118.47 2pu4 h TRP 354 Ca 0.31 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.32 2pu4 h TRP 354 Cb 0.22 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 2pu4 h TRP 354 CO -0.08 0.70 0.33 1.96 -1.03 0.00 0.00 178.44 180.32 2pu4 h GLN 355 N 1.00 0.66 0.29 2.65 1.08 -1.16 0.56 115.11 120.18 2pu4 h GLN 355 Ca 0.25 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 2pu4 h GLN 355 Cb 0.04 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 2pu4 h GLN 355 CO -0.04 0.43 -0.14 0.82 -0.95 0.00 0.00 178.83 178.95 2pu4 h ILE 356 N 0.68 0.72 -0.50 2.54 2.04 -1.21 -2.93 117.51 118.85 2pu4 h ILE 356 Ca 0.19 -0.59 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2pu4 h ILE 356 Cb -0.05 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2pu4 h ILE 356 CO -0.05 0.12 -0.11 -0.07 0.00 0.00 0.00 178.15 178.03 2pu4 h LEU 357 N -0.72 0.92 -1.12 1.44 3.38 -1.07 -2.60 115.31 115.54 2pu4 h LEU 357 Ca -0.04 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 2pu4 h LEU 357 Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2pu4 h LEU 357 CO 0.07 1.04 0.35 -1.13 0.09 0.00 0.00 178.44 178.86 2pu4 h ASN 358 N 0.83 0.87 0.08 -0.43 -1.24 -0.98 -1.55 115.58 113.15 2pu4 h ASN 358 Ca 0.13 -0.08 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 2pu4 h ASN 358 Cb 0.64 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 2pu4 h ASN 358 CO 0.04 0.72 -0.33 0.00 -1.29 0.00 0.00 177.43 176.58 2pu4 h ALA 359 N 1.42 1.11 -0.00 1.57 0.00 -1.27 -3.19 119.26 118.90 2pu4 h ALA 359 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pu4 h ALA 359 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2pu4 h ALA 359 CO -0.04 0.56 -0.47 1.28 0.00 0.00 0.00 179.25 180.59 2pu4 n LEU 360 N -4.08 0.89 0.00 0.00 4.77 -1.05 -5.13 117.00 112.39 2pu4 n LEU 360 Ca -0.01 -0.22 0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2pu4 n LEU 360 Cb 0.44 -0.15 0.77 0.00 -2.33 0.00 0.00 43.42 42.14 2pu4 n LEU 360 CO 0.42 0.19 0.94 1.67 -1.33 0.00 0.00 177.39 179.28