#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aek s LYS 2 N 0.00 1.33 -0.01 0.03 2.20 -1.26 -5.10 119.74 116.94 3aek s LYS 2 Ca 0.00 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.44 3aek s LYS 2 Cb 0.00 -2.46 -0.08 0.00 -1.51 0.00 0.00 37.83 33.78 3aek s LYS 2 CO 0.00 -0.64 2.01 -1.17 -0.36 0.00 0.00 175.35 175.19 3aek s LEU 3 N 1.51 4.27 -0.09 5.43 0.20 -1.26 -4.97 118.68 123.77 3aek s LEU 3 Ca -0.03 2.54 0.00 0.00 0.69 0.00 0.00 54.13 57.33 3aek s LEU 3 Cb -0.18 -3.53 0.02 0.00 -0.43 0.00 0.00 46.19 42.07 3aek s LEU 3 CO -0.08 -1.21 -0.07 -0.89 -0.29 0.00 0.00 176.35 173.82 3aek s THR 4 N 5.10 0.92 -0.18 3.68 2.01 -1.26 -5.01 115.64 120.91 3aek s THR 4 Ca 0.90 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 3aek s THR 4 Cb -0.41 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.09 3aek s THR 4 CO 0.40 0.34 -0.33 -0.11 -0.69 0.00 0.00 174.62 174.24 3aek n LEU 5 N 4.68 1.87 -4.64 4.42 7.94 -1.26 -5.01 117.00 125.00 3aek n LEU 5 Ca -0.15 0.32 -0.34 0.00 -1.11 0.00 0.00 56.01 54.73 3aek n LEU 5 Cb 0.50 -0.72 -0.10 0.00 0.53 0.00 0.00 43.42 43.63 3aek n LEU 5 CO 0.18 -0.10 -0.34 0.86 -1.11 0.00 0.00 177.39 176.88 3aek s TRP 6 N -2.75 3.05 -0.08 1.96 -0.11 -1.26 -5.10 118.94 114.64 3aek s TRP 6 Ca -0.29 0.10 0.03 0.00 1.22 0.00 0.00 56.10 57.15 3aek s TRP 6 Cb 0.06 -1.72 0.01 0.00 -1.50 0.00 0.00 33.47 30.32 3aek s TRP 6 CO 0.41 0.41 -0.16 -0.08 -4.62 0.00 0.00 176.95 172.91 3aek s THR 7 N -0.91 1.44 0.09 5.86 -1.32 -1.26 -4.84 115.64 114.69 3aek s THR 7 Ca 0.14 -0.66 -0.15 0.00 -1.21 0.00 0.00 61.69 59.82 3aek s THR 7 Cb -0.11 -1.28 -0.15 0.00 -1.51 0.00 0.00 72.50 69.45 3aek s THR 7 CO 0.04 0.42 1.31 1.88 -2.21 0.00 0.00 174.62 176.06 3aek h TYR 8 N 6.86 0.93 -3.71 9.09 -1.99 -1.99 -3.44 116.97 122.72 3aek h TYR 8 Ca -0.27 -0.38 -0.67 0.00 2.00 0.00 0.00 58.73 59.40 3aek h TYR 8 Cb 1.20 -0.15 -0.18 0.00 2.00 0.00 0.00 36.73 39.60 3aek h TYR 8 CO 0.48 1.19 -0.76 -1.21 -0.00 0.00 0.00 178.16 177.86 3aek s GLU 9 N -3.85 2.19 0.00 4.88 2.02 -1.26 -4.34 118.70 118.33 3aek s GLU 9 Ca -0.11 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 53.92 3aek s GLU 9 Cb 0.08 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3aek s GLU 9 CO 0.87 0.54 0.00 0.41 0.02 0.00 0.00 175.26 177.10 3aek n GLY 10 N 1.17 -1.12 3.77 -1.39 0.00 -1.26 -4.76 105.19 101.60 3aek n GLY 10 Ca -0.15 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3aek n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3aek s PRO 11 N -2.65 1.98 0.45 1.61 0.04 -1.26 -0.76 135.00 134.41 3aek s PRO 11 Ca 0.00 0.87 0.15 0.00 0.04 0.00 0.00 61.00 62.06 3aek s PRO 11 Cb 0.00 -1.89 1.08 0.00 0.04 0.00 0.00 34.50 33.73 3aek s PRO 11 CO 0.00 -1.75 2.01 -1.35 0.04 0.00 0.00 177.00 175.95 3aek h PRO 12 N -1.20 0.33 0.00 0.56 0.11 -1.75 -2.34 132.00 127.71 3aek h PRO 12 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3aek h PRO 12 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3aek h PRO 12 CO 0.55 0.22 0.00 1.12 -0.21 0.00 0.00 178.00 179.68 3aek h HIS 13 N 0.33 0.00 -0.05 0.65 2.07 -1.89 -1.61 115.15 114.65 3aek h HIS 13 Ca 0.23 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.52 3aek h HIS 13 Cb 0.47 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.45 3aek h HIS 13 CO -0.00 0.00 -0.89 0.28 -3.07 0.00 0.00 177.93 174.24 3aek h VAL 14 N 0.00 1.33 -0.79 6.12 2.07 -1.76 -1.50 116.25 121.71 3aek h VAL 14 Ca 0.00 -2.21 0.01 0.00 0.82 0.00 0.00 66.70 65.32 3aek h VAL 14 Cb 0.33 2.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3aek h VAL 14 CO 0.00 0.68 0.52 1.23 0.02 0.00 0.00 177.57 180.02 3aek h GLY 15 N 0.83 1.12 0.79 2.17 0.00 -1.39 -0.78 103.07 105.82 3aek h GLY 15 Ca -0.08 -0.41 0.04 0.00 0.00 0.00 0.00 47.33 46.88 3aek h GLY 15 CO 0.17 0.39 0.39 0.00 0.00 0.00 0.00 176.54 177.49 3aek h ALA 16 N 1.30 0.86 -0.05 3.60 0.00 -1.24 -1.97 119.26 121.76 3aek h ALA 16 Ca 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 3aek h ALA 16 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3aek h ALA 16 CO -0.07 0.11 -0.09 0.52 0.00 0.00 0.00 179.25 179.72 3aek h MET 17 N 0.74 0.07 -0.26 0.00 2.86 -0.89 -1.40 114.93 116.06 3aek h MET 17 Ca 0.28 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.79 3aek h MET 17 Cb 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3aek h MET 17 CO -0.14 0.17 -0.32 0.00 1.06 0.00 0.00 176.91 177.68 3aek h ARG 18 N 0.07 0.55 -0.03 1.72 3.08 -0.40 -1.11 114.38 118.26 3aek h ARG 18 Ca 0.02 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 3aek h ARG 18 Cb 0.20 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3aek h ARG 18 CO 0.01 0.81 -0.33 0.28 -1.07 0.00 0.00 179.97 179.67 3aek h VAL 19 N 0.47 1.47 -0.64 2.04 2.07 -1.11 -2.20 116.25 118.36 3aek h VAL 19 Ca 0.06 -1.85 -0.08 0.00 0.82 0.00 0.00 66.70 65.64 3aek h VAL 19 Cb 0.79 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 3aek h VAL 19 CO 0.06 0.52 0.08 0.00 0.02 0.00 0.00 177.57 178.25 3aek h ALA 20 N 0.35 0.93 0.00 1.67 0.00 -1.23 -2.27 119.26 118.71 3aek h ALA 20 Ca -0.03 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3aek h ALA 20 Cb 1.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3aek h ALA 20 CO 0.07 0.66 -0.44 1.15 0.00 0.00 0.00 179.25 180.68 3aek h THR 21 N 0.99 0.86 -0.17 0.00 2.02 -1.31 -2.85 112.91 112.44 3aek h THR 21 Ca 0.19 -1.89 -0.12 0.00 0.77 0.00 0.00 66.41 65.36 3aek h THR 21 Cb 0.46 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3aek h THR 21 CO 0.02 0.43 -0.40 0.00 0.37 0.00 0.00 175.52 175.93 3aek h ALA 22 N 1.56 1.00 -2.32 6.16 0.00 -1.05 -3.45 119.26 121.16 3aek h ALA 22 Ca -0.00 -0.42 -0.49 0.00 0.00 0.00 0.00 54.91 53.99 3aek h ALA 22 Cb 1.16 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.90 3aek h ALA 22 CO 0.06 0.62 0.22 -1.64 0.00 0.00 0.00 179.25 178.50 3aek s MET 23 N -4.19 3.21 0.12 0.00 -1.94 -0.89 -0.29 119.30 115.32 3aek s MET 23 Ca -0.06 0.22 0.08 0.00 -1.71 0.00 0.00 55.69 54.23 3aek s MET 23 Cb 0.13 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 3aek s MET 23 CO 0.79 -0.56 -0.15 -1.59 -0.01 0.00 0.00 175.02 173.51 3aek s LYS 24 N -4.98 1.90 -1.47 2.03 -2.85 0.22 -4.73 119.74 109.85 3aek s LYS 24 Ca 0.52 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 3aek s LYS 24 Cb -0.11 -2.17 0.00 0.00 -2.06 0.00 0.00 37.83 33.50 3aek s LYS 24 CO 0.47 0.48 0.00 -0.25 0.10 0.00 0.00 175.35 176.15 3aek n ASP 25 N 0.71 -4.72 -4.05 0.03 8.00 -1.26 -3.93 116.55 111.33 3aek n ASP 25 Ca -0.15 0.19 -0.27 0.00 0.71 0.00 0.00 54.79 55.27 3aek n ASP 25 Cb 0.53 -3.71 -0.17 0.00 -0.02 0.00 0.00 41.12 37.75 3aek n ASP 25 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3aek s LEU 26 N -3.91 1.70 -0.24 0.64 0.20 -1.26 -0.96 118.68 114.84 3aek s LEU 26 Ca 0.00 -0.39 -0.10 0.00 0.69 0.00 0.00 54.13 54.33 3aek s LEU 26 Cb 0.00 -1.02 -0.04 0.00 -0.43 0.00 0.00 46.19 44.70 3aek s LEU 26 CO 0.00 0.02 0.13 -1.10 -0.29 0.00 0.00 176.35 175.12 3aek s GLN 27 N 0.88 3.96 -0.16 1.98 -1.52 -1.13 -4.77 119.66 118.90 3aek s GLN 27 Ca -0.09 -0.33 -0.13 0.00 -1.95 0.00 0.00 55.36 52.86 3aek s GLN 27 Cb -0.15 -3.47 -0.05 0.00 -0.22 0.00 0.00 33.01 29.12 3aek s GLN 27 CO 0.01 0.01 0.26 -1.17 -0.25 0.00 0.00 175.29 174.15 3aek s LEU 28 N 1.17 4.25 -0.20 2.90 2.96 -0.08 -1.28 118.68 128.40 3aek s LEU 28 Ca 0.06 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3aek s LEU 28 Cb -0.14 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.23 3aek s LEU 28 CO 0.05 0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.45 3aek s VAL 29 N 0.30 3.16 -0.20 1.68 1.01 0.56 -1.67 120.40 125.25 3aek s VAL 29 Ca 0.15 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3aek s VAL 29 Cb -0.13 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3aek s VAL 29 CO 0.03 0.45 0.02 -0.76 0.00 0.00 0.00 175.10 174.85 3aek s LEU 30 N 1.29 3.41 -0.37 3.92 1.43 -0.01 -1.85 118.68 126.49 3aek s LEU 30 Ca 0.03 -0.13 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3aek s LEU 30 Cb -0.14 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3aek s LEU 30 CO -0.03 0.08 1.41 -2.28 0.23 0.00 0.00 176.35 175.76 3aek s HIS 31 N 0.90 2.43 0.07 0.29 5.65 -0.19 -1.29 115.29 123.15 3aek s HIS 31 Ca 0.02 0.71 -0.27 0.00 0.25 0.00 0.00 55.06 55.77 3aek s HIS 31 Cb -0.14 -4.19 0.08 0.00 -1.18 0.00 0.00 32.58 27.15 3aek s HIS 31 CO 0.02 -2.01 0.87 0.20 -0.65 0.00 0.00 174.74 173.17 3aek s GLY 32 N 3.77 -0.40 0.75 1.59 0.00 -1.26 -1.48 107.32 110.29 3aek s GLY 32 Ca 0.61 0.64 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 3aek s GLY 32 CO 0.30 0.20 1.08 2.56 0.00 0.00 0.00 173.10 177.25 3aek s PRO 33 N -3.28 2.47 0.24 2.90 0.04 -1.26 -1.29 135.00 134.82 3aek s PRO 33 Ca 0.07 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3aek s PRO 33 Cb -0.01 -1.96 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3aek s PRO 33 CO -0.06 -1.37 1.68 -1.14 0.04 0.00 0.00 177.00 176.16 3aek s GLN 34 N -5.14 4.12 0.00 4.56 0.74 -1.04 -2.84 119.66 120.06 3aek s GLN 34 Ca 0.59 2.61 0.00 0.00 0.05 0.00 0.00 55.36 58.61 3aek s GLN 34 Cb -0.14 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.92 3aek s GLN 34 CO 0.54 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.97 3aek n GLY 35 N 3.32 1.07 0.09 2.59 0.00 -1.26 -4.95 105.19 106.06 3aek n GLY 35 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.24 3aek n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3aek n ASP 36 N 0.01 0.50 0.00 1.61 8.00 -1.13 -2.39 116.55 123.15 3aek n ASP 36 Ca 0.00 0.61 0.02 0.00 0.71 0.00 0.00 54.79 56.13 3aek n ASP 36 Cb 0.00 -0.72 0.10 0.00 -0.02 0.00 0.00 41.12 40.48 3aek n ASP 36 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3aek n THR 37 N -2.04 1.23 -0.28 -3.53 -2.24 -1.26 -2.65 114.28 103.51 3aek n THR 37 Ca 0.03 0.31 0.21 0.00 -2.27 0.00 0.00 64.05 62.33 3aek n THR 37 Cb 0.25 -1.24 0.51 0.00 -2.10 0.00 0.00 70.33 67.75 3aek n THR 37 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3aek h TYR 38 N 0.00 0.58 0.00 4.78 -0.00 -1.90 -0.44 116.97 119.99 3aek h TYR 38 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 3aek h TYR 38 Cb 0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 36.73 36.60 3aek h TYR 38 CO 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.27 3aek h ALA 39 N 1.61 1.00 -0.78 0.10 0.00 -1.80 -1.72 119.26 117.66 3aek h ALA 39 Ca 0.52 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.54 3aek h ALA 39 Cb 1.32 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 3aek h ALA 39 CO -0.22 0.00 0.51 -0.44 0.00 0.00 0.00 179.25 179.10 3aek h ASP 40 N 0.00 0.60 0.36 0.00 3.32 -1.33 -2.66 116.42 116.71 3aek h ASP 40 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3aek h ASP 40 Cb 0.20 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3aek h ASP 40 CO 0.00 0.35 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.66 3aek h LEU 41 N 0.66 0.00 -0.69 1.55 4.07 -1.47 -1.85 115.31 117.57 3aek h LEU 41 Ca 0.37 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.39 3aek h LEU 41 Cb 0.53 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.21 3aek h LEU 41 CO -0.14 0.14 0.39 -0.07 -1.08 0.00 0.00 178.44 177.68 3aek h LEU 42 N 0.00 0.58 0.11 1.67 4.07 -1.64 0.16 115.31 120.27 3aek h LEU 42 Ca -0.00 0.03 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 3aek h LEU 42 Cb 0.35 -0.08 0.01 0.00 1.08 0.00 0.00 40.66 42.02 3aek h LEU 42 CO 0.02 0.37 -0.81 -0.26 -1.08 0.00 0.00 178.44 176.68 3aek h PHE 43 N 0.71 0.44 -0.10 1.13 0.04 -1.50 -2.49 116.94 115.17 3aek h PHE 43 Ca 0.31 -0.32 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 3aek h PHE 43 Cb 0.20 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3aek h PHE 43 CO -0.07 1.31 -0.48 1.79 -0.60 0.00 0.00 178.31 180.26 3aek h THR 44 N -0.46 1.34 0.00 -1.55 1.35 -1.45 -0.43 112.91 111.70 3aek h THR 44 Ca -0.15 -1.68 -0.33 0.00 -0.55 0.00 0.00 66.41 63.69 3aek h THR 44 Cb 1.57 1.79 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 3aek h THR 44 CO 0.11 0.50 -2.08 0.23 -0.25 0.00 0.00 175.52 174.03 3aek n MET 45 N -3.97 0.53 -0.02 4.72 2.81 0.04 -3.29 117.12 117.95 3aek n MET 45 Ca -0.02 0.23 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 3aek n MET 45 Cb 0.53 -1.40 -0.09 0.00 -0.71 0.00 0.00 33.22 31.55 3aek n MET 45 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3aek h ILE 46 N -0.93 1.13 0.00 2.02 2.04 -1.51 -3.26 117.51 117.01 3aek h ILE 46 Ca -0.50 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 63.76 3aek h ILE 46 Cb 1.42 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3aek h ILE 46 CO -0.30 0.35 -0.11 1.21 0.00 0.00 0.00 178.15 179.29 3aek n GLU 47 N -4.77 0.22 -3.08 2.37 2.13 -0.97 -4.69 120.64 111.86 3aek n GLU 47 Ca -0.07 0.16 -0.13 0.00 0.66 0.00 0.00 57.16 57.77 3aek n GLU 47 Cb 0.30 -1.74 0.05 0.00 0.27 0.00 0.00 31.44 30.33 3aek n GLU 47 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3aek n ARG 48 N -2.11 -4.71 -2.71 5.31 0.63 -0.55 -4.97 116.66 107.55 3aek n ARG 48 Ca 0.05 0.53 -0.37 0.00 -0.92 0.00 0.00 57.85 57.14 3aek n ARG 48 Cb 0.42 -4.63 -0.06 0.00 0.45 0.00 0.00 32.46 28.64 3aek n ARG 48 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3aek s ARG 49 N -5.46 4.47 0.00 -0.14 0.52 -0.28 -4.95 118.95 113.12 3aek s ARG 49 Ca 0.23 1.39 0.14 0.00 -0.52 0.00 0.00 55.73 56.96 3aek s ARG 49 Cb -0.10 -2.73 0.39 0.00 0.52 0.00 0.00 34.95 33.03 3aek s ARG 49 CO 0.46 0.16 1.33 0.27 0.02 0.00 0.00 175.30 177.54 3aek n ASN 50 N 0.39 2.35 -3.84 0.23 6.94 -1.26 -4.65 115.26 115.43 3aek n ASN 50 Ca 0.03 -2.00 -0.10 0.00 -0.02 0.00 0.00 54.58 52.49 3aek n ASN 50 Cb 0.50 -0.29 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 3aek n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3aek s ALA 51 N -1.42 -0.37 0.29 -2.53 0.00 -1.26 -5.14 121.76 111.33 3aek s ALA 51 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.66 3aek s ALA 51 Cb 0.15 0.30 -0.11 0.00 0.00 0.00 0.00 23.12 23.46 3aek s ALA 51 CO 0.20 -0.38 1.56 1.03 0.00 0.00 0.00 175.76 178.18 3aek s ARG 52 N -2.68 4.15 0.52 0.00 0.52 -1.26 -4.83 118.95 115.36 3aek s ARG 52 Ca -0.04 2.53 -0.21 0.00 -0.52 0.00 0.00 55.73 57.48 3aek s ARG 52 Cb -0.01 -3.04 -0.07 0.00 0.52 0.00 0.00 34.95 32.35 3aek s ARG 52 CO -0.04 -0.59 1.03 -2.30 0.02 0.00 0.00 175.30 173.41 3aek n PRO 53 N 2.17 1.22 -1.02 3.54 -0.02 -1.26 -4.82 135.00 134.81 3aek n PRO 53 Ca 0.08 0.45 -0.24 0.00 -2.02 0.00 0.00 63.50 61.77 3aek n PRO 53 Cb 0.38 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 3aek n PRO 53 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3aek n PRO 54 N -0.47 2.57 -3.73 0.52 -0.04 -1.26 -4.75 135.00 127.84 3aek n PRO 54 Ca 0.11 -1.49 -0.20 0.00 -0.04 0.00 0.00 63.50 61.88 3aek n PRO 54 Cb 0.44 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.36 3aek n PRO 54 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3aek s VAL 55 N 1.99 0.02 0.14 0.52 1.01 -1.26 -0.90 120.40 121.93 3aek s VAL 55 Ca 0.60 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.97 3aek s VAL 55 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.32 3aek s VAL 55 CO -0.03 0.18 -0.20 -0.94 0.00 0.00 0.00 175.10 174.11 3aek s SER 56 N 1.86 2.76 0.05 3.32 1.04 -0.67 -5.01 113.70 117.07 3aek s SER 56 Ca 0.02 -0.80 0.07 0.00 0.48 0.00 0.00 55.95 55.72 3aek s SER 56 Cb -0.12 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.80 3aek s SER 56 CO -0.03 0.03 -0.15 -0.36 0.98 0.00 0.00 173.24 173.71 3aek s PHE 57 N -1.64 2.64 0.50 5.02 0.40 -1.26 -0.83 117.98 122.81 3aek s PHE 57 Ca 0.13 -0.21 0.28 0.00 -0.60 0.00 0.00 56.93 56.54 3aek s PHE 57 Cb -0.08 -1.47 1.62 0.00 0.51 0.00 0.00 43.02 43.61 3aek s PHE 57 CO 0.06 0.31 2.16 0.66 0.70 0.00 0.00 175.22 179.12 3aek h SER 58 N 4.30 0.00 -5.29 1.36 4.64 -1.33 -3.47 113.55 113.76 3aek h SER 58 Ca -0.48 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.53 3aek h SER 58 Cb 1.16 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.40 3aek h SER 58 CO 0.49 0.06 -0.68 0.41 -0.87 0.00 0.00 176.83 176.25 3aek n THR 59 N -3.75 -5.01 -2.56 2.95 -1.04 -0.41 -4.78 114.28 99.69 3aek n THR 59 Ca -0.02 -0.39 -0.35 0.00 -2.04 0.00 0.00 64.05 61.25 3aek n THR 59 Cb 0.16 -4.60 -0.04 0.00 -1.82 0.00 0.00 70.33 64.03 3aek n THR 59 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3aek s PHE 60 N -3.32 3.18 0.18 -1.42 -0.71 -1.06 -4.47 117.98 110.36 3aek s PHE 60 Ca 0.07 1.62 -0.06 0.00 -1.04 0.00 0.00 56.93 57.52 3aek s PHE 60 Cb -0.03 -3.09 -0.02 0.00 -1.21 0.00 0.00 43.02 38.67 3aek s PHE 60 CO 0.66 -0.66 0.24 -1.83 -1.34 0.00 0.00 175.22 172.28 3aek s GLU 61 N -2.79 1.20 0.37 1.99 1.03 -1.26 -2.49 118.70 116.75 3aek s GLU 61 Ca 0.61 -1.36 0.12 0.00 0.03 0.00 0.00 54.97 54.37 3aek s GLU 61 Cb -0.19 0.34 0.91 0.00 -0.80 0.00 0.00 34.13 34.39 3aek s GLU 61 CO 0.24 -0.43 1.83 0.00 -1.33 0.00 0.00 175.26 175.58 3aek h ALA 62 N 2.57 1.95 0.00 -0.84 0.00 -2.01 0.90 119.26 121.84 3aek h ALA 62 Ca -0.32 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3aek h ALA 62 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3aek h ALA 62 CO 0.49 -0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.14 3aek h SER 63 N 0.59 0.00 -2.17 0.00 4.64 -2.02 -3.33 113.55 111.25 3aek h SER 63 Ca 0.50 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 61.26 3aek h SER 63 Cb 0.98 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.66 3aek h SER 63 CO -0.25 0.00 -0.78 1.41 -0.87 0.00 0.00 176.83 176.34 3aek n HIS 64 N -2.39 3.10 -3.29 4.77 8.25 0.31 -5.07 115.22 120.90 3aek n HIS 64 Ca 0.04 -3.91 0.00 0.00 -0.26 0.00 0.00 57.72 53.60 3aek n HIS 64 Cb 0.40 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3aek n HIS 64 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3aek n MET 65 N -0.13 1.48 0.00 -0.41 2.81 -1.21 -4.18 117.12 115.48 3aek n MET 65 Ca 0.30 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.19 3aek n MET 65 Cb 0.47 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 3aek n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3aek n GLY 66 N 5.00 1.31 0.07 3.03 0.00 -1.26 -3.03 105.19 110.31 3aek n GLY 66 Ca 0.00 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3aek n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aek n THR 67 N 0.00 0.92 0.11 2.61 -2.24 -1.26 -2.65 114.28 111.77 3aek n THR 67 Ca 0.00 0.25 -0.03 0.00 -2.27 0.00 0.00 64.05 62.00 3aek n THR 67 Cb 0.00 -1.11 0.17 0.00 -2.10 0.00 0.00 70.33 67.30 3aek n THR 67 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3aek h ASP 68 N 0.00 0.17 -0.41 3.42 3.45 -1.83 -3.28 116.42 117.93 3aek h ASP 68 Ca 0.00 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.34 3aek h ASP 68 Cb 0.30 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3aek h ASP 68 CO 0.00 0.69 0.15 0.71 -1.57 0.00 0.00 179.24 179.22 3aek h THR 69 N 0.12 1.19 -0.21 0.35 1.35 -1.68 0.87 112.91 114.90 3aek h THR 69 Ca -0.00 -0.66 -0.06 0.00 -0.55 0.00 0.00 66.41 65.13 3aek h THR 69 Cb 1.02 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 3aek h THR 69 CO 0.08 0.25 -0.12 0.00 -0.25 0.00 0.00 175.52 175.48 3aek h ALA 70 N 1.48 0.30 -0.64 6.62 0.00 -1.76 -2.53 119.26 122.73 3aek h ALA 70 Ca 0.16 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3aek h ALA 70 Cb 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3aek h ALA 70 CO -0.01 0.16 0.31 0.82 0.00 0.00 0.00 179.25 180.53 3aek h ILE 71 N 0.15 0.88 -0.67 0.00 1.08 -1.50 -2.20 117.51 115.25 3aek h ILE 71 Ca 0.04 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 3aek h ILE 71 Cb 0.63 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 3aek h ILE 71 CO 0.03 0.10 0.28 -0.07 -0.69 0.00 0.00 178.15 177.80 3aek h LEU 72 N 0.56 0.90 -0.35 1.44 3.38 -0.74 -0.22 115.31 120.27 3aek h LEU 72 Ca 0.30 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3aek h LEU 72 Cb 0.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3aek h LEU 72 CO -0.23 0.80 -0.13 0.25 0.09 0.00 0.00 178.44 179.21 3aek h LEU 73 N 0.97 0.73 -0.14 1.67 5.85 -1.15 -1.19 115.31 122.04 3aek h LEU 73 Ca 0.23 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3aek h LEU 73 Cb 0.17 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3aek h LEU 73 CO -0.02 0.95 -0.04 0.50 -0.34 0.00 0.00 178.44 179.49 3aek h LYS 74 N 0.50 -0.01 -0.37 1.25 3.64 -1.10 -1.68 116.57 118.79 3aek h LYS 74 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3aek h LYS 74 Cb 0.66 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3aek h LYS 74 CO 0.04 -0.01 0.15 -0.44 -2.27 0.00 0.00 179.45 176.93 3aek h ASP 75 N -0.01 0.47 -0.36 4.20 3.45 -0.98 -1.42 116.42 121.76 3aek h ASP 75 Ca 0.07 -0.04 -0.16 0.00 0.43 0.00 0.00 57.03 57.33 3aek h ASP 75 Cb 0.12 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3aek h ASP 75 CO -0.15 0.43 -0.38 0.00 -1.57 0.00 0.00 179.24 177.57 3aek h ALA 76 N 1.65 0.60 -0.17 3.45 0.00 -0.83 -1.25 119.26 122.70 3aek h ALA 76 Ca 0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3aek h ALA 76 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3aek h ALA 76 CO -0.01 0.68 -0.08 -0.07 0.00 0.00 0.00 179.25 179.77 3aek h LEU 77 N 0.75 0.36 -0.20 0.00 3.38 -1.04 -2.09 115.31 116.47 3aek h LEU 77 Ca 0.06 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3aek h LEU 77 Cb 0.97 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3aek h LEU 77 CO 0.09 0.69 0.06 0.00 0.09 0.00 0.00 178.44 179.37 3aek h ALA 78 N 0.69 0.22 -0.53 1.53 0.00 -1.27 -1.97 119.26 117.92 3aek h ALA 78 Ca 0.04 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 78 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3aek h ALA 78 CO 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 179.25 178.97 3aek h ALA 79 N 1.13 0.71 -0.72 0.00 0.00 -1.26 -1.09 119.26 118.02 3aek h ALA 79 Ca 0.09 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3aek h ALA 79 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3aek h ALA 79 CO -0.10 0.47 0.26 0.00 0.00 0.00 0.00 179.25 179.88 3aek h ALA 80 N 0.97 1.09 -0.13 0.00 0.00 -1.32 -1.70 119.26 118.18 3aek h ALA 80 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3aek h ALA 80 Cb 0.44 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3aek h ALA 80 CO 0.01 0.63 -0.15 1.25 0.00 0.00 0.00 179.25 181.00 3aek h HIS 81 N 1.06 0.40 -0.36 0.00 6.17 -1.15 -2.58 115.15 118.68 3aek h HIS 81 Ca 0.24 -0.13 -0.04 0.00 0.71 0.00 0.00 60.37 61.16 3aek h HIS 81 Cb 0.25 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.07 3aek h HIS 81 CO 0.02 0.75 0.07 0.00 0.71 0.00 0.00 177.93 179.48 3aek h ALA 82 N 0.59 1.44 0.20 5.26 0.00 -1.16 -0.85 119.26 124.74 3aek h ALA 82 Ca 0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 3aek h ALA 82 Cb 0.69 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3aek h ALA 82 CO 0.04 0.40 -1.47 -0.09 0.00 0.00 0.00 179.25 178.13 3aek h ARG 83 N 0.53 0.42 0.00 0.00 2.43 -1.37 -3.40 114.38 112.99 3aek h ARG 83 Ca 0.12 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3aek h ARG 83 Cb 0.23 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3aek h ARG 83 CO -0.00 1.34 -0.71 0.66 -1.51 0.00 0.00 179.97 179.75 3aek n TYR 84 N -3.77 0.00 -4.09 2.20 4.02 -0.97 -5.03 117.16 109.52 3aek n TYR 84 Ca -0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.25 3aek n TYR 84 Cb 1.03 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 40.31 3aek n TYR 84 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3aek n LYS 85 N -1.38 -0.47 -1.62 -0.72 4.76 -0.32 -4.91 118.16 113.50 3aek n LYS 85 Ca 0.02 0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.25 3aek n LYS 85 Cb 0.21 -2.82 0.05 0.00 -1.84 0.00 0.00 35.03 30.63 3aek n LYS 85 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3aek s PRO 86 N -7.34 2.98 0.36 1.97 0.04 -1.26 -4.96 135.00 126.79 3aek s PRO 86 Ca 0.41 0.98 0.17 0.00 0.04 0.00 0.00 61.00 62.59 3aek s PRO 86 Cb -0.22 -2.00 0.64 0.00 0.04 0.00 0.00 34.50 32.96 3aek s PRO 86 CO 0.97 -1.06 1.72 1.96 0.04 0.00 0.00 177.00 180.63 3aek h GLN 87 N -0.60 0.00 -3.29 4.56 4.20 -1.40 -3.47 115.11 115.11 3aek h GLN 87 Ca -0.44 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.27 3aek h GLN 87 Cb 1.21 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.93 3aek h GLN 87 CO 0.57 0.42 0.09 0.00 -0.67 0.00 0.00 178.83 179.24 3aek s ALA 88 N -3.65 -0.71 0.05 3.87 0.00 -1.21 -4.50 121.76 115.60 3aek s ALA 88 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 3aek s ALA 88 Cb 0.12 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 24.12 3aek s ALA 88 CO 0.70 -0.96 -0.03 -1.64 0.00 0.00 0.00 175.76 173.83 3aek s MET 89 N -3.70 0.55 0.07 0.00 -1.94 -0.49 -2.85 119.30 110.94 3aek s MET 89 Ca 0.17 -1.06 0.07 0.00 -1.71 0.00 0.00 55.69 53.15 3aek s MET 89 Cb -0.04 0.14 -0.03 0.00 2.01 0.00 0.00 34.83 36.92 3aek s MET 89 CO 0.09 -0.08 -0.18 0.00 -0.01 0.00 0.00 175.02 174.83 3aek s ALA 90 N -3.20 1.55 -0.05 3.03 0.00 -0.40 -0.96 121.76 121.72 3aek s ALA 90 Ca 0.01 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3aek s ALA 90 Cb 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3aek s ALA 90 CO -0.07 0.31 -0.06 0.54 0.00 0.00 0.00 175.76 176.47 3aek s VAL 91 N -1.02 0.66 0.28 0.00 0.11 -0.61 -0.32 120.40 119.50 3aek s VAL 91 Ca 0.04 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 3aek s VAL 91 Cb -0.09 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 3aek s VAL 91 CO 0.03 0.25 0.33 0.00 -3.33 0.00 0.00 175.10 172.37 3aek s ALA 92 N 0.83 0.96 -0.16 1.54 0.00 -0.77 -1.03 121.76 123.13 3aek s ALA 92 Ca -0.12 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 50.20 3aek s ALA 92 Cb -0.15 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 24.23 3aek s ALA 92 CO 0.01 -0.71 -0.01 -0.51 0.00 0.00 0.00 175.76 174.54 3aek s LEU 93 N -3.21 3.41 1.03 0.00 1.43 -1.26 -1.02 118.68 119.06 3aek s LEU 93 Ca 0.34 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3aek s LEU 93 Cb 0.02 -1.83 0.21 0.00 0.03 0.00 0.00 46.19 44.62 3aek s LEU 93 CO 0.17 0.18 1.08 -0.89 0.23 0.00 0.00 176.35 177.13 3aek s THR 94 N 0.29 2.19 0.27 5.49 2.01 -0.55 -4.79 115.64 120.56 3aek s THR 94 Ca -0.01 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3aek s THR 94 Cb -0.14 -2.22 0.27 0.00 0.01 0.00 0.00 72.50 70.42 3aek s THR 94 CO 0.02 -0.08 1.84 0.00 -0.69 0.00 0.00 174.62 175.71 3aek h THR 96 N 0.99 1.27 0.00 0.00 2.02 -1.93 -3.15 112.91 112.11 3aek h THR 96 Ca 0.48 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.00 3aek h THR 96 Cb 0.44 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3aek h THR 96 CO -0.25 0.53 -0.37 0.00 0.37 0.00 0.00 175.52 175.79 3aek h ALA 97 N 0.76 1.31 -0.56 6.16 0.00 -1.68 -2.34 119.26 122.91 3aek h ALA 97 Ca 0.06 -0.34 0.14 0.00 0.00 0.00 0.00 54.91 54.76 3aek h ALA 97 Cb 1.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3aek h ALA 97 CO 0.10 0.47 0.39 0.93 0.00 0.00 0.00 179.25 181.14 3aek h GLU 98 N 0.00 0.15 -0.00 0.00 5.08 -1.26 -0.69 114.58 117.85 3aek h GLU 98 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3aek h GLU 98 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3aek h GLU 98 CO 0.05 0.10 -0.11 1.28 -1.00 0.00 0.00 179.01 179.32 3aek n LEU 99 N -4.42 0.15 -4.98 1.33 4.77 -0.88 -4.83 117.00 108.14 3aek n LEU 99 Ca 0.10 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 3aek n LEU 99 Cb 0.53 -0.39 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3aek n LEU 99 CO 0.35 0.03 0.43 -0.76 -1.33 0.00 0.00 177.39 176.12 3aek s LEU 100 N -2.90 3.16 0.00 2.23 1.02 -0.27 -5.04 118.68 116.89 3aek s LEU 100 Ca 0.17 -0.10 0.21 0.00 0.02 0.00 0.00 54.13 54.43 3aek s LEU 100 Cb 0.19 -2.62 0.48 0.00 0.02 0.00 0.00 46.19 44.26 3aek s LEU 100 CO 0.55 -1.37 1.41 0.00 0.02 0.00 0.00 176.35 176.96 3aek n GLN 101 N -2.51 2.55 -2.68 1.70 1.13 -1.26 -4.99 117.38 111.32 3aek n GLN 101 Ca 0.10 -2.35 -0.41 0.00 -1.94 0.00 0.00 57.00 52.40 3aek n GLN 101 Cb 0.60 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 3aek n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3aek s ASP 102 N -1.22 7.49 -0.46 1.08 -0.00 -1.26 -5.01 116.67 117.29 3aek s ASP 102 Ca 0.40 1.92 -0.13 0.00 -0.00 0.00 0.00 52.55 54.73 3aek s ASP 102 Cb 0.22 -2.60 0.08 0.00 -0.00 0.00 0.00 42.92 40.62 3aek s ASP 102 CO 0.30 -0.03 0.36 -0.62 -0.00 0.00 0.00 175.17 175.17 3aek s ASP 103 N -0.41 5.98 0.24 0.27 3.68 -1.26 -4.96 116.67 120.21 3aek s ASP 103 Ca 0.46 -1.44 -0.03 0.00 2.13 0.00 0.00 52.55 53.67 3aek s ASP 103 Cb -0.26 -2.12 0.26 0.00 -1.45 0.00 0.00 42.92 39.36 3aek s ASP 103 CO 0.32 -0.63 1.69 -0.65 0.13 0.00 0.00 175.17 176.03 3aek h PRO 104 N 8.65 0.76 -0.14 4.34 0.11 -1.96 0.33 132.00 144.09 3aek h PRO 104 Ca -0.27 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3aek h PRO 104 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3aek h PRO 104 CO 0.85 0.86 0.05 -0.97 -0.21 0.00 0.00 178.00 178.58 3aek h ASN 105 N 0.68 0.20 -0.65 -2.05 -0.00 -1.93 -1.97 115.58 109.85 3aek h ASN 105 Ca 0.11 -0.19 -0.08 0.00 -0.00 0.00 0.00 56.30 56.14 3aek h ASN 105 Cb 0.62 -0.05 -0.03 0.00 -0.00 0.00 0.00 38.32 38.86 3aek h ASN 105 CO 0.04 0.33 0.10 1.23 -0.00 0.00 0.00 177.43 179.13 3aek h GLY 106 N 0.05 1.18 0.89 1.57 0.00 -1.93 -1.90 103.07 102.94 3aek h GLY 106 Ca 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 3aek h GLY 106 CO -0.00 0.73 0.02 -2.22 0.00 0.00 0.00 176.54 175.07 3aek h ILE 107 N 1.02 1.25 -0.34 2.60 2.04 -0.96 -2.75 117.51 120.37 3aek h ILE 107 Ca 0.20 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 65.06 3aek h ILE 107 Cb 0.45 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3aek h ILE 107 CO 0.01 0.29 -0.24 0.77 0.00 0.00 0.00 178.15 178.99 3aek h SER 108 N 0.36 0.69 0.13 1.72 4.64 -1.27 -2.60 113.55 117.22 3aek h SER 108 Ca 0.09 -0.24 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 3aek h SER 108 Cb 0.40 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3aek h SER 108 CO 0.01 0.90 -0.27 0.03 -0.87 0.00 0.00 176.83 176.64 3aek h ARG 109 N 0.59 0.23 0.00 4.77 3.08 -1.37 -2.75 114.38 118.93 3aek h ARG 109 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3aek h ARG 109 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3aek h ARG 109 CO 0.06 0.49 0.00 0.00 -1.07 0.00 0.00 179.97 179.44 3aek n ALA 110 N -2.48 2.30 0.03 0.04 0.00 -1.04 -3.01 120.51 116.35 3aek n ALA 110 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3aek n ALA 110 Cb 0.37 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 3aek n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3aek h LEU 111 N 0.00 0.08 -2.26 0.00 3.38 -1.19 -3.49 115.31 111.83 3aek h LEU 111 Ca 0.00 -0.11 -0.38 0.00 0.09 0.00 0.00 57.88 57.48 3aek h LEU 111 Cb 0.63 -0.03 0.10 0.00 0.09 0.00 0.00 40.66 41.46 3aek h LEU 111 CO 0.00 1.09 -0.86 -3.20 0.09 0.00 0.00 178.44 175.56 3aek n ASN 112 N -3.26 -3.42 -4.78 -0.43 5.15 -1.09 -4.97 115.26 102.46 3aek n ASN 112 Ca -0.10 -0.83 -0.35 0.00 -0.60 0.00 0.00 54.58 52.71 3aek n ASN 112 Cb 1.00 -4.24 -0.00 0.00 -0.53 0.00 0.00 39.78 36.01 3aek n ASN 112 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3aek s LEU 113 N -6.32 3.74 0.37 1.20 1.02 -1.26 -4.95 118.68 112.49 3aek s LEU 113 Ca 0.21 2.13 0.26 0.00 0.02 0.00 0.00 54.13 56.75 3aek s LEU 113 Cb -0.05 -4.58 1.34 0.00 0.02 0.00 0.00 46.19 42.92 3aek s LEU 113 CO 0.80 -1.17 1.79 -0.65 0.02 0.00 0.00 176.35 177.14 3aek h PRO 114 N 1.19 0.00 -6.20 1.29 0.11 -2.00 -3.44 132.00 122.95 3aek h PRO 114 Ca -0.50 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 3aek h PRO 114 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.26 3aek h PRO 114 CO 0.57 0.00 -0.68 0.14 -0.21 0.00 0.00 178.00 177.82 3aek s VAL 115 N -3.60 3.12 0.25 3.15 -7.23 -1.26 -5.10 120.40 109.73 3aek s VAL 115 Ca -0.01 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 3aek s VAL 115 Cb 0.08 -2.68 -0.11 0.00 0.56 0.00 0.00 36.38 34.23 3aek s VAL 115 CO 0.28 -0.37 1.54 -2.16 -0.31 0.00 0.00 175.10 174.08 3aek s PRO 116 N -3.63 4.19 -0.30 4.82 0.04 -1.26 -4.90 135.00 133.96 3aek s PRO 116 Ca 0.31 2.44 -0.02 0.00 0.04 0.00 0.00 61.00 63.78 3aek s PRO 116 Cb -0.06 -3.08 0.05 0.00 0.04 0.00 0.00 34.50 31.46 3aek s PRO 116 CO 0.18 -0.55 0.00 0.08 0.04 0.00 0.00 177.00 176.76 3aek s VAL 117 N 0.21 3.01 -0.42 -0.36 1.01 -1.26 -1.39 120.40 121.20 3aek s VAL 117 Ca 0.63 -1.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 3aek s VAL 117 Cb -0.45 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3aek s VAL 117 CO 0.43 -0.11 0.66 -0.69 0.00 0.00 0.00 175.10 175.39 3aek s VAL 118 N 1.26 4.82 0.41 2.92 1.01 -0.13 -4.90 120.40 125.78 3aek s VAL 118 Ca -0.05 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.94 3aek s VAL 118 Cb -0.20 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 3aek s VAL 118 CO -0.01 -0.55 1.12 -2.16 0.00 0.00 0.00 175.10 173.50 3aek s PRO 119 N 2.85 4.06 -0.04 2.72 0.04 -1.26 -1.58 135.00 141.79 3aek s PRO 119 Ca 0.24 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.03 3aek s PRO 119 Cb -0.14 -2.58 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 3aek s PRO 119 CO 0.19 -0.28 -0.23 -0.51 0.04 0.00 0.00 177.00 176.21 3aek s LEU 120 N -2.63 2.24 -0.49 -3.56 1.43 -0.20 -4.90 118.68 110.56 3aek s LEU 120 Ca 0.58 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3aek s LEU 120 Cb -0.27 -1.40 0.12 0.00 0.03 0.00 0.00 46.19 44.67 3aek s LEU 120 CO 0.33 0.31 0.40 -0.70 0.23 0.00 0.00 176.35 176.92 3aek s GLU 121 N -0.55 2.73 -0.33 1.70 2.56 -1.26 -4.54 118.70 119.00 3aek s GLU 121 Ca 0.08 -1.68 0.02 0.00 0.00 0.00 0.00 54.97 53.39 3aek s GLU 121 Cb -0.11 -4.07 0.10 0.00 2.00 0.00 0.00 34.13 32.05 3aek s GLU 121 CO 0.00 -1.21 0.07 -0.51 -0.56 0.00 0.00 175.26 173.06 3aek s LEU 122 N 1.48 3.84 -0.73 2.70 1.43 -1.26 -5.00 118.68 121.14 3aek s LEU 122 Ca 0.04 -2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 50.89 3aek s LEU 122 Cb -0.27 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.63 3aek s LEU 122 CO 0.02 -0.39 1.22 -2.16 0.23 0.00 0.00 176.35 175.27 3aek s PRO 123 N 1.13 3.18 0.32 1.29 0.05 -1.26 -4.88 135.00 134.83 3aek s PRO 123 Ca 0.11 -0.39 0.26 0.00 0.05 0.00 0.00 61.00 61.03 3aek s PRO 123 Cb -0.19 -4.22 0.97 0.00 0.05 0.00 0.00 34.50 31.12 3aek s PRO 123 CO -0.14 -2.08 1.77 1.03 0.05 0.00 0.00 177.00 177.63 3aek h SER 124 N 9.92 0.00 -0.01 6.66 0.87 -1.92 0.19 113.55 129.26 3aek h SER 124 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 3aek h SER 124 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3aek h SER 124 CO 1.26 0.00 -0.51 -1.22 -0.53 0.00 0.00 176.83 175.83 3aek n TYR 125 N -2.49 0.00 0.00 2.24 4.01 -1.26 -4.51 117.16 115.15 3aek n TYR 125 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3aek n TYR 125 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3aek n TYR 125 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3aek n SER 126 N -0.33 4.40 -4.61 7.72 3.41 -1.11 -5.10 113.62 118.00 3aek n SER 126 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.40 3aek n SER 126 Cb 0.39 0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 64.86 3aek n SER 126 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3aek s ARG 127 N -1.83 1.95 0.00 4.33 1.81 0.04 -5.11 118.95 120.14 3aek s ARG 127 Ca 0.00 -2.10 0.00 0.00 -1.72 0.00 0.00 55.73 51.91 3aek s ARG 127 Cb 0.00 -1.64 0.00 0.00 -0.45 0.00 0.00 34.95 32.86 3aek s ARG 127 CO 0.00 -0.04 0.00 1.63 -0.68 0.00 0.00 175.30 176.21 3aek n LYS 128 N -0.96 1.21 -0.11 3.54 5.02 -1.26 -4.31 118.16 121.29 3aek n LYS 128 Ca -0.05 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.17 3aek n LYS 128 Cb 0.67 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.68 3aek n LYS 128 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3aek h GLU 129 N 0.00 -0.19 -0.63 1.97 4.81 -0.98 -1.74 114.58 117.81 3aek h GLU 129 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3aek h GLU 129 Cb 0.00 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3aek h GLU 129 CO 0.00 -0.13 0.32 -0.91 -0.73 0.00 0.00 179.01 177.56 3aek h ASN 130 N -0.20 0.82 -0.91 1.04 2.35 -1.89 -1.62 115.58 115.18 3aek h ASN 130 Ca 0.18 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3aek h ASN 130 Cb 0.48 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 3aek h ASN 130 CO -0.49 0.71 0.58 0.22 -1.65 0.00 0.00 177.43 176.79 3aek h TYR 131 N 0.87 1.16 -0.94 1.19 3.20 -1.73 -0.39 116.97 120.33 3aek h TYR 131 Ca 0.22 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3aek h TYR 131 Cb 0.10 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 37.93 3aek h TYR 131 CO -0.00 0.75 0.62 0.78 -1.64 0.00 0.00 178.16 178.66 3aek h GLY 132 N 1.24 1.33 0.78 1.82 0.00 -0.42 0.23 103.07 108.05 3aek h GLY 132 Ca 0.33 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 3aek h GLY 132 CO -0.07 0.44 -0.69 0.00 0.00 0.00 0.00 176.54 176.22 3aek h ALA 133 N 1.44 0.03 -0.35 3.60 0.00 -1.03 -1.55 119.26 121.39 3aek h ALA 133 Ca 0.36 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3aek h ALA 133 Cb -0.06 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3aek h ALA 133 CO -0.09 0.37 0.15 0.22 0.00 0.00 0.00 179.25 179.90 3aek h ASP 134 N -0.16 0.19 -0.11 0.00 3.58 -0.87 -1.94 116.42 117.11 3aek h ASP 134 Ca -0.10 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3aek h ASP 134 Cb 1.43 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 3aek h ASP 134 CO 0.13 0.15 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.53 3aek h GLU 135 N 0.31 0.22 -0.38 0.28 4.57 -0.62 -1.93 114.58 117.04 3aek h GLU 135 Ca 0.15 -0.09 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 3aek h GLU 135 Cb 0.10 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 3aek h GLU 135 CO -0.13 0.53 0.03 1.15 -1.18 0.00 0.00 179.01 179.41 3aek h THR 136 N -0.10 0.75 -0.51 0.32 2.02 -1.24 0.92 112.91 115.07 3aek h THR 136 Ca 0.03 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 3aek h THR 136 Cb 0.45 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3aek h THR 136 CO 0.01 0.03 0.08 0.15 0.37 0.00 0.00 175.52 176.16 3aek h PHE 137 N 0.14 0.91 -0.04 3.16 3.57 -1.39 -1.78 116.94 121.50 3aek h PHE 137 Ca 0.19 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3aek h PHE 137 Cb 0.25 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3aek h PHE 137 CO -0.23 0.82 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.44 3aek h ARG 138 N 0.73 -0.20 -0.99 1.11 2.43 -0.94 -0.59 114.38 115.93 3aek h ARG 138 Ca 0.16 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3aek h ARG 138 Cb 0.40 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.93 3aek h ARG 138 CO 0.01 -0.13 0.64 0.00 -1.51 0.00 0.00 179.97 178.98 3aek h ALA 139 N 0.78 1.42 -0.33 2.80 0.00 -0.67 0.18 119.26 123.44 3aek h ALA 139 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3aek h ALA 139 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3aek h ALA 139 CO -0.16 0.44 -0.11 -0.07 0.00 0.00 0.00 179.25 179.35 3aek h LEU 140 N 1.16 0.67 -0.84 0.00 4.07 -1.10 -1.64 115.31 117.63 3aek h LEU 140 Ca 0.42 -0.38 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 3aek h LEU 140 Cb 0.16 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 41.68 3aek h LEU 140 CO -0.17 0.90 0.42 0.58 -1.08 0.00 0.00 178.44 179.09 3aek h VAL 141 N 0.44 1.26 0.00 1.22 2.07 -0.61 -0.95 116.25 119.68 3aek h VAL 141 Ca 0.08 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3aek h VAL 141 Cb 0.62 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3aek h VAL 141 CO 0.04 0.30 -0.28 -0.09 0.02 0.00 0.00 177.57 177.56 3aek h ARG 142 N 1.19 0.00 0.00 1.57 2.43 -0.54 -0.13 114.38 118.90 3aek h ARG 142 Ca 0.29 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.22 3aek h ARG 142 Cb 0.10 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3aek h ARG 142 CO -0.04 0.28 -1.40 0.00 -1.51 0.00 0.00 179.97 177.31 3aek h ALA 143 N 1.72 0.65 0.00 2.80 0.00 -1.02 -3.43 119.26 119.97 3aek h ALA 143 Ca -0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 54.91 53.65 3aek h ALA 143 Cb 0.54 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3aek h ALA 143 CO 0.04 1.31 -1.43 1.28 0.00 0.00 0.00 179.25 180.45 3aek n LEU 144 N -3.10 1.41 -4.72 0.00 4.77 -0.38 -5.01 117.00 109.97 3aek n LEU 144 Ca -0.10 -0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 3aek n LEU 144 Cb 0.96 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.97 3aek n LEU 144 CO 0.45 0.38 0.83 0.00 -1.33 0.00 0.00 177.39 177.72 3aek s ALA 145 N -2.15 3.34 0.16 -1.18 0.00 -0.08 -4.04 121.76 117.81 3aek s ALA 145 Ca -0.07 0.78 0.09 0.00 0.00 0.00 0.00 51.96 52.77 3aek s ALA 145 Cb 0.02 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3aek s ALA 145 CO 0.22 -0.36 -0.21 0.14 0.00 0.00 0.00 175.76 175.55 3aek s VAL 146 N 0.88 1.97 0.18 0.00 -7.23 -1.25 -4.88 120.40 110.06 3aek s VAL 146 Ca 0.56 -1.87 -0.33 0.00 -1.81 0.00 0.00 61.98 58.53 3aek s VAL 146 Cb -0.28 -1.88 -0.15 0.00 0.56 0.00 0.00 36.38 34.64 3aek s VAL 146 CO 0.30 -0.19 1.33 -2.65 -0.31 0.00 0.00 175.10 173.57 3aek n PRO 147 N 0.46 1.59 -4.33 4.82 -0.02 -1.26 -4.11 135.00 132.16 3aek n PRO 147 Ca -0.14 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.71 3aek n PRO 147 Cb 0.56 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3aek n PRO 147 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3aek s MET 148 N -0.08 1.70 0.26 -0.52 -1.94 -1.26 -5.02 119.30 112.44 3aek s MET 148 Ca 0.74 -1.99 -0.25 0.00 -1.71 0.00 0.00 55.69 52.48 3aek s MET 148 Cb -0.78 0.07 -0.09 0.00 2.01 0.00 0.00 34.83 36.04 3aek s MET 148 CO 0.48 -0.55 0.88 -2.00 -0.01 0.00 0.00 175.02 173.82 3aek s GLU 149 N -3.64 4.57 0.48 2.03 2.12 -1.26 -4.76 118.70 118.24 3aek s GLU 149 Ca 0.36 1.25 -0.22 0.00 0.36 0.00 0.00 54.97 56.72 3aek s GLU 149 Cb 0.03 -2.98 -0.07 0.00 0.26 0.00 0.00 34.13 31.37 3aek s GLU 149 CO 0.22 0.39 1.18 1.03 -0.54 0.00 0.00 175.26 177.54 3aek s ARG 150 N -1.73 3.66 0.51 4.30 1.81 -1.26 -4.20 118.95 122.04 3aek s ARG 150 Ca 0.45 1.79 -0.23 0.00 -1.72 0.00 0.00 55.73 56.02 3aek s ARG 150 Cb -0.20 -2.35 -0.06 0.00 -0.45 0.00 0.00 34.95 31.89 3aek s ARG 150 CO 0.25 -0.64 1.37 0.95 -0.68 0.00 0.00 175.30 176.55 3aek s THR 151 N -1.55 2.13 0.22 0.02 -4.23 0.17 -4.93 115.64 107.46 3aek s THR 151 Ca 0.65 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 61.17 3aek s THR 151 Cb -0.29 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.67 3aek s THR 151 CO 0.35 0.00 1.89 1.55 -0.54 0.00 0.00 174.62 177.87 3aek h PRO 152 N 1.78 1.04 -6.94 3.99 0.13 -1.94 -3.42 132.00 126.63 3aek h PRO 152 Ca -0.51 -0.06 -0.46 0.00 -0.87 0.00 0.00 66.00 64.10 3aek h PRO 152 Cb 1.29 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 3aek h PRO 152 CO 0.59 0.69 0.27 -1.21 -0.23 0.00 0.00 178.00 178.11 3aek s GLU 153 N -6.13 4.23 -0.13 0.86 0.41 -1.26 -5.01 118.70 111.66 3aek s GLU 153 Ca -0.13 1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 55.17 3aek s GLU 153 Cb 0.15 -2.36 -0.05 0.00 -1.78 0.00 0.00 34.13 30.10 3aek s GLU 153 CO 0.78 0.08 1.75 0.08 -0.49 0.00 0.00 175.26 177.46 3aek s VAL 154 N -2.02 3.48 0.15 2.63 1.01 -1.26 -4.89 120.40 119.49 3aek s VAL 154 Ca 0.58 0.55 0.04 0.00 0.00 0.00 0.00 61.98 63.15 3aek s VAL 154 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3aek s VAL 154 CO 0.16 -0.15 -0.09 0.42 0.00 0.00 0.00 175.10 175.44 3aek s THR 155 N 5.13 1.09 0.13 3.92 -4.23 -1.26 -2.91 115.64 117.50 3aek s THR 155 Ca 0.78 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3aek s THR 155 Cb -0.31 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 3aek s THR 155 CO 0.32 -0.72 0.01 0.00 -0.54 0.00 0.00 174.62 173.69 3aek s ASN 157 N -3.07 6.38 -0.20 0.00 0.02 -0.55 0.17 114.94 117.69 3aek s ASN 157 Ca 0.20 0.37 -0.11 0.00 -1.02 0.00 0.00 52.86 52.30 3aek s ASN 157 Cb 0.07 -2.02 -0.05 0.00 0.02 0.00 0.00 41.25 39.27 3aek s ASN 157 CO -0.00 0.28 0.17 -0.76 0.02 0.00 0.00 177.10 176.81 3aek s LEU 158 N -1.80 4.20 -0.04 0.60 1.43 -0.84 0.38 118.68 122.60 3aek s LEU 158 Ca 0.26 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 3aek s LEU 158 Cb -0.13 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 3aek s LEU 158 CO 0.17 0.14 -0.20 -0.76 0.23 0.00 0.00 176.35 175.93 3aek s LEU 159 N 0.52 1.97 0.00 1.79 1.02 -0.13 -1.02 118.68 122.83 3aek s LEU 159 Ca 0.10 -0.40 0.00 0.00 0.02 0.00 0.00 54.13 53.85 3aek s LEU 159 Cb -0.12 -1.09 0.00 0.00 0.02 0.00 0.00 46.19 45.00 3aek s LEU 159 CO 0.00 0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.17 3aek n GLY 160 N 3.01 1.58 3.71 -3.19 0.00 -0.70 -1.36 105.19 108.25 3aek n GLY 160 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3aek n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aek s ALA 161 N -2.22 3.48 0.37 4.61 0.00 -1.25 -4.63 121.76 122.12 3aek s ALA 161 Ca 0.00 0.96 0.04 0.00 0.00 0.00 0.00 51.96 52.96 3aek s ALA 161 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 3aek s ALA 161 CO 0.00 -0.51 0.13 0.95 0.00 0.00 0.00 175.76 176.33 3aek s THR 162 N 1.07 0.59 0.63 0.00 -4.23 -1.26 -0.47 115.64 111.97 3aek s THR 162 Ca 0.61 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 3aek s THR 162 Cb -0.33 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.06 3aek s THR 162 CO 0.30 0.00 1.10 0.00 -0.54 0.00 0.00 174.62 175.47 3aek s ALA 163 N -3.31 2.57 -1.36 3.99 0.00 -0.87 -3.73 121.76 119.06 3aek s ALA 163 Ca 0.28 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.69 3aek s ALA 163 Cb 0.04 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.91 3aek s ALA 163 CO 0.16 -1.09 0.50 1.28 0.00 0.00 0.00 175.76 176.60 3aek n LEU 164 N -2.21 -1.88 -4.81 0.00 4.77 -1.26 -4.78 117.00 106.83 3aek n LEU 164 Ca 0.10 -0.32 -0.36 0.00 -0.03 0.00 0.00 56.01 55.40 3aek n LEU 164 Cb 0.52 -2.39 -0.07 0.00 -2.33 0.00 0.00 43.42 39.15 3aek n LEU 164 CO 0.47 0.16 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.65 3aek s GLY 165 N -2.67 2.05 -0.45 -0.72 0.00 -1.24 -5.04 107.32 99.25 3aek s GLY 165 Ca 0.34 -0.70 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 3aek s GLY 165 CO 0.42 -0.46 1.93 -0.12 0.00 0.00 0.00 173.10 174.88 3aek s PHE 166 N -0.99 1.61 -1.88 1.90 5.36 -1.26 -2.98 117.98 119.74 3aek s PHE 166 Ca 0.15 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 3aek s PHE 166 Cb -0.12 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.54 3aek s PHE 166 CO 0.04 -2.72 0.00 0.54 -1.46 0.00 0.00 175.22 171.62 3aek n ARG 167 N 8.81 -1.56 -0.12 10.12 5.12 -1.26 -4.91 116.66 132.86 3aek n ARG 167 Ca 0.24 1.06 -0.09 0.00 -1.93 0.00 0.00 57.85 57.13 3aek n ARG 167 Cb 0.50 -5.61 -0.01 0.00 -1.16 0.00 0.00 32.46 26.17 3aek n ARG 167 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3aek h HIS 168 N 0.00 0.52 -0.42 -1.55 3.86 -1.88 -0.04 115.15 115.64 3aek h HIS 168 Ca -0.46 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 58.80 3aek h HIS 168 Cb 1.35 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 29.57 3aek h HIS 168 CO 0.55 0.45 -0.25 -0.09 0.86 0.00 0.00 177.93 179.45 3aek h ARG 169 N 0.43 -0.17 0.00 2.45 2.43 -1.89 -0.52 114.38 117.12 3aek h ARG 169 Ca 0.12 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.08 3aek h ARG 169 Cb 0.14 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3aek h ARG 169 CO -0.01 -0.11 -1.22 -0.44 -1.51 0.00 0.00 179.97 176.67 3aek h ASP 170 N -0.17 0.00 -0.50 -3.80 3.32 -1.89 -3.02 116.42 110.36 3aek h ASP 170 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3aek h ASP 170 Cb 0.48 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3aek h ASP 170 CO -0.52 0.88 0.32 0.44 -1.72 0.00 0.00 179.24 178.64 3aek h ASP 171 N 0.00 0.58 -0.32 6.45 3.32 -0.80 0.66 116.42 126.31 3aek h ASP 171 Ca -0.12 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.96 3aek h ASP 171 Cb 1.78 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 41.13 3aek h ASP 171 CO 0.09 0.43 0.00 0.58 -1.72 0.00 0.00 179.24 178.63 3aek h VAL 172 N 0.67 0.77 -0.71 -1.35 2.07 -1.10 0.14 116.25 116.74 3aek h VAL 172 Ca 0.18 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3aek h VAL 172 Cb -0.06 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3aek h VAL 172 CO -0.04 0.02 0.36 0.00 0.02 0.00 0.00 177.57 177.93 3aek h ALA 173 N 1.27 0.92 -0.13 1.67 0.00 -1.37 -1.76 119.26 119.85 3aek h ALA 173 Ca 0.15 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3aek h ALA 173 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3aek h ALA 173 CO -0.25 0.46 -0.41 1.49 0.00 0.00 0.00 179.25 180.54 3aek h GLU 174 N 0.99 0.51 -0.64 0.00 4.57 -0.44 -2.60 114.58 116.97 3aek h GLU 174 Ca 0.25 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3aek h GLU 174 Cb 0.08 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 3aek h GLU 174 CO -0.04 0.99 0.30 0.28 -1.18 0.00 0.00 179.01 179.37 3aek h VAL 175 N 0.13 1.21 -0.67 0.32 2.07 -0.71 -1.93 116.25 116.67 3aek h VAL 175 Ca -0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3aek h VAL 175 Cb 1.03 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3aek h VAL 175 CO 0.09 0.25 0.42 0.74 0.02 0.00 0.00 177.57 179.09 3aek h THR 176 N 0.90 1.18 -0.61 2.57 2.02 -1.30 -1.81 112.91 115.86 3aek h THR 176 Ca 0.22 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3aek h THR 176 Cb 0.11 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3aek h THR 176 CO -0.03 0.18 0.28 0.11 0.37 0.00 0.00 175.52 176.43 3aek h LYS 177 N 0.90 0.89 -0.89 6.66 1.57 -1.04 -0.60 116.57 124.07 3aek h LYS 177 Ca 0.24 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3aek h LYS 177 Cb -0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.04 3aek h LYS 177 CO -0.05 0.73 0.57 -0.07 -0.57 0.00 0.00 179.45 180.06 3aek h LEU 178 N 0.84 0.95 -0.01 2.94 3.38 -1.05 -2.22 115.31 120.14 3aek h LEU 178 Ca 0.21 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 3aek h LEU 178 Cb 0.15 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.70 3aek h LEU 178 CO -0.02 0.65 -1.01 -0.07 0.09 0.00 0.00 178.44 178.08 3aek h LEU 179 N 1.11 0.91 -1.23 1.67 3.38 -1.09 -3.20 115.31 116.86 3aek h LEU 179 Ca 0.36 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3aek h LEU 179 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3aek h LEU 179 CO -0.12 1.52 0.37 0.00 0.09 0.00 0.00 178.44 180.30 3aek h ALA 180 N 0.41 1.42 -0.61 1.53 0.00 -0.87 0.63 119.26 121.77 3aek h ALA 180 Ca -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3aek h ALA 180 Cb 1.66 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 3aek h ALA 180 CO 0.20 0.49 0.29 1.15 0.00 0.00 0.00 179.25 181.38 3aek h THR 181 N 0.91 1.20 0.00 0.00 2.02 -1.44 -1.20 112.91 114.41 3aek h THR 181 Ca 0.24 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3aek h THR 181 Cb 0.00 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3aek h THR 181 CO -0.04 0.24 0.00 0.23 0.37 0.00 0.00 175.52 176.32 3aek n MET 182 N -4.35 0.45 -0.78 6.66 2.00 -0.74 -4.72 117.12 115.64 3aek n MET 182 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.76 3aek n MET 182 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.85 3aek n MET 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3aek n GLY 183 N 1.18 0.80 3.25 3.03 0.00 -0.45 -4.91 105.19 108.10 3aek n GLY 183 Ca 0.14 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3aek n GLY 183 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3aek s ILE 184 N -2.00 3.07 0.22 -0.61 1.01 0.14 -4.76 121.20 118.27 3aek s ILE 184 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3aek s ILE 184 Cb 0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 3aek s ILE 184 CO 0.00 0.37 0.42 -0.54 0.00 0.00 0.00 174.94 175.19 3aek s LYS 185 N 1.41 3.53 -0.08 2.79 1.02 -1.15 -2.64 119.74 124.62 3aek s LYS 185 Ca 0.04 -0.32 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 3aek s LYS 185 Cb -0.15 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 3aek s LYS 185 CO -0.05 0.37 0.74 0.08 -0.92 0.00 0.00 175.35 175.56 3aek s VAL 186 N -1.92 5.01 0.00 3.17 1.01 -1.26 -1.77 120.40 124.64 3aek s VAL 186 Ca 0.39 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.87 3aek s VAL 186 Cb -0.11 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3aek s VAL 186 CO 0.30 0.20 0.31 -3.20 0.00 0.00 0.00 175.10 172.70 3aek n ASN 187 N 4.08 0.00 -3.90 3.32 5.15 0.13 -4.87 115.26 119.17 3aek n ASN 187 Ca 0.00 0.53 -0.19 0.00 -0.60 0.00 0.00 54.58 54.32 3aek n ASN 187 Cb 0.51 -0.35 -0.16 0.00 -0.53 0.00 0.00 39.78 39.24 3aek n ASN 187 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3aek s VAL 188 N -1.32 0.50 -0.24 3.44 1.01 -1.25 -5.04 120.40 117.50 3aek s VAL 188 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 3aek s VAL 188 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 3aek s VAL 188 CO 0.00 0.21 0.30 0.00 0.00 0.00 0.00 175.10 175.61 3aek s ALA 190 N 1.56 -0.41 0.37 0.00 0.00 -0.19 -3.46 121.76 119.63 3aek s ALA 190 Ca 0.13 0.11 0.12 0.00 0.00 0.00 0.00 51.96 52.33 3aek s ALA 190 Cb -0.15 -0.02 0.70 0.00 0.00 0.00 0.00 23.12 23.65 3aek s ALA 190 CO 0.08 -0.18 1.81 -1.35 0.00 0.00 0.00 175.76 176.13 3aek h PRO 191 N 4.74 0.00 -6.23 0.00 0.11 -1.78 -1.88 132.00 126.96 3aek h PRO 191 Ca -0.29 -0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.26 3aek h PRO 191 Cb 1.19 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3aek h PRO 191 CO 0.40 0.39 1.26 -1.17 -0.21 0.00 0.00 178.00 178.67 3aek s LEU 192 N -8.16 4.02 0.00 2.35 2.96 0.38 -1.84 118.68 118.39 3aek s LEU 192 Ca -0.03 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.03 3aek s LEU 192 Cb 0.14 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3aek s LEU 192 CO 0.73 -1.33 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 3aek n GLY 193 N 4.85 1.36 3.85 7.98 0.00 0.60 -4.73 105.19 119.10 3aek n GLY 193 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3aek n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aek s ALA 194 N -2.61 3.44 0.29 4.61 0.00 -0.77 -4.66 121.76 122.07 3aek s ALA 194 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.00 3aek s ALA 194 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3aek s ALA 194 CO 0.00 0.39 0.25 -1.54 0.00 0.00 0.00 175.76 174.86 3aek s SER 195 N -2.08 5.42 0.34 0.00 1.04 -1.26 -0.61 113.70 116.55 3aek s SER 195 Ca 0.48 -0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.63 3aek s SER 195 Cb -0.12 -1.20 0.81 0.00 0.10 0.00 0.00 66.02 65.60 3aek s SER 195 CO 0.19 -0.19 1.82 -0.65 0.98 0.00 0.00 173.24 175.40 3aek h PRO 196 N 1.37 0.68 -0.56 4.02 0.11 -1.82 -0.30 132.00 135.50 3aek h PRO 196 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3aek h PRO 196 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3aek h PRO 196 CO 0.59 0.45 0.27 -0.44 -0.21 0.00 0.00 178.00 178.66 3aek h ASP 197 N 0.70 0.71 -0.74 -2.05 5.19 -1.92 -2.21 116.42 116.09 3aek h ASP 197 Ca 0.51 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.85 3aek h ASP 197 Cb 0.86 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 3aek h ASP 197 CO -0.28 0.61 0.45 0.44 -3.12 0.00 0.00 179.24 177.34 3aek h ASP 198 N 0.79 0.90 0.37 6.45 3.45 -1.44 -2.55 116.42 124.39 3aek h ASP 198 Ca 0.20 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.56 3aek h ASP 198 Cb 0.09 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3aek h ASP 198 CO -0.03 0.70 -0.23 -0.07 -1.57 0.00 0.00 179.24 178.04 3aek h LEU 199 N 1.04 0.00 -0.94 1.55 4.07 -1.03 -2.52 115.31 117.47 3aek h LEU 199 Ca 0.27 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.13 3aek h LEU 199 Cb -0.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3aek h LEU 199 CO -0.05 0.23 -0.39 0.03 -1.08 0.00 0.00 178.44 177.18 3aek h ARG 200 N 0.00 0.28 -0.97 1.13 3.08 -1.22 -3.09 114.38 113.60 3aek h ARG 200 Ca -0.00 -0.13 -0.55 0.00 0.07 0.00 0.00 59.98 59.37 3aek h ARG 200 Cb 0.48 -0.01 -0.30 0.00 0.08 0.00 0.00 29.97 30.22 3aek h ARG 200 CO 0.03 0.63 0.67 0.36 -1.07 0.00 0.00 179.97 180.59 3aek n LYS 201 N -4.04 2.36 0.11 0.04 2.85 -0.95 -3.89 118.16 114.63 3aek n LYS 201 Ca -0.01 -3.10 -0.03 0.00 -1.05 0.00 0.00 58.31 54.11 3aek n LYS 201 Cb 0.47 -2.19 0.16 0.00 -0.65 0.00 0.00 35.03 32.81 3aek n LYS 201 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3aek h LEU 202 N 1.27 0.18 -1.74 -5.58 3.38 -1.52 -3.33 115.31 107.98 3aek h LEU 202 Ca 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 3aek h LEU 202 Cb 2.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.96 3aek h LEU 202 CO 1.20 0.71 0.08 1.23 0.09 0.00 0.00 178.44 181.75 3aek h GLY 203 N 1.53 0.26 2.00 0.83 0.00 -1.77 -2.90 103.07 103.01 3aek h GLY 203 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3aek h GLY 203 CO 0.08 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.34 3aek n GLN 204 N -4.47 0.10 -2.44 4.80 10.64 -1.25 -4.61 117.38 120.16 3aek n GLN 204 Ca -0.00 0.34 -0.41 0.00 -1.83 0.00 0.00 57.00 55.10 3aek n GLN 204 Cb 0.11 -1.70 -0.04 0.00 -0.86 0.00 0.00 30.24 27.75 3aek n GLN 204 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3aek s ALA 205 N -3.17 3.42 0.17 2.61 0.00 -1.10 -0.66 121.76 123.03 3aek s ALA 205 Ca 0.06 0.93 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3aek s ALA 205 Cb 0.09 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.93 3aek s ALA 205 CO 0.34 -0.23 1.75 0.45 0.00 0.00 0.00 175.76 178.07 3aek h HIS 206 N 4.13 0.84 -4.07 0.00 3.86 -1.47 -3.47 115.15 114.98 3aek h HIS 206 Ca -0.46 -0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 58.46 3aek h HIS 206 Cb 1.21 -0.26 -0.08 0.00 1.06 0.00 0.00 27.41 29.34 3aek h HIS 206 CO 0.59 0.65 -0.20 -0.59 0.86 0.00 0.00 177.93 179.25 3aek s PHE 207 N -5.70 0.96 -0.06 2.45 -0.12 -1.21 -4.46 117.98 109.85 3aek s PHE 207 Ca -0.13 -1.22 0.06 0.00 -0.05 0.00 0.00 56.93 55.59 3aek s PHE 207 Cb 0.13 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3aek s PHE 207 CO 0.78 -1.10 -0.24 -0.80 -0.05 0.00 0.00 175.22 173.81 3aek s ASN 208 N -3.20 3.16 -0.44 1.98 0.01 0.03 -1.47 114.94 115.00 3aek s ASN 208 Ca 0.30 -0.48 -0.16 0.00 -0.71 0.00 0.00 52.86 51.80 3aek s ASN 208 Cb -0.00 -0.83 0.04 0.00 0.41 0.00 0.00 41.25 40.87 3aek s ASN 208 CO 0.18 0.25 0.39 -0.69 -1.51 0.00 0.00 177.10 175.73 3aek s VAL 209 N -0.22 5.17 -0.75 1.60 1.01 0.16 -1.85 120.40 125.52 3aek s VAL 209 Ca -0.02 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 3aek s VAL 209 Cb -0.13 -4.05 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3aek s VAL 209 CO 0.03 -0.46 1.32 -0.22 0.00 0.00 0.00 175.10 175.77 3aek s LEU 210 N 1.89 3.18 0.01 3.92 0.20 -1.26 -0.96 118.68 125.67 3aek s LEU 210 Ca 0.08 -0.46 -0.20 0.00 0.69 0.00 0.00 54.13 54.24 3aek s LEU 210 Cb -0.20 -2.56 -0.21 0.00 -0.43 0.00 0.00 46.19 42.79 3aek s LEU 210 CO 0.10 -1.85 1.14 0.24 -0.29 0.00 0.00 176.35 175.70 3aek h MET 211 N 10.25 0.42 -3.09 1.98 2.86 -1.57 -3.44 114.93 122.34 3aek h MET 211 Ca -0.26 -0.40 -0.52 0.00 -2.06 0.00 0.00 59.70 56.47 3aek h MET 211 Cb 1.05 0.10 -0.40 0.00 0.06 0.00 0.00 31.60 32.41 3aek h MET 211 CO 1.28 1.05 -0.77 0.71 1.06 0.00 0.00 176.91 180.25 3aek s TYR 212 N -3.40 0.63 0.33 -0.22 1.51 -1.22 -4.92 117.35 110.06 3aek s TYR 212 Ca -0.13 -0.90 0.08 0.00 -1.01 0.00 0.00 57.07 55.11 3aek s TYR 212 Cb 0.04 -1.01 0.80 0.00 -0.11 0.00 0.00 41.96 41.68 3aek s TYR 212 CO 0.81 -0.74 1.80 -1.35 -1.11 0.00 0.00 175.55 174.97 3aek h PRO 213 N 8.33 0.69 0.00 -1.71 0.11 -1.90 -0.86 132.00 136.65 3aek h PRO 213 Ca -0.17 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 3aek h PRO 213 Cb 1.06 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3aek h PRO 213 CO 0.40 0.46 -0.12 1.05 -0.21 0.00 0.00 178.00 179.57 3aek h GLU 214 N 0.71 0.00 -0.01 1.05 9.09 -1.95 -2.19 114.58 121.28 3aek h GLU 214 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.95 3aek h GLU 214 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3aek h GLU 214 CO -0.32 0.12 0.00 0.25 0.05 0.00 0.00 179.01 179.11 3aek n THR 215 N -3.49 0.14 -0.58 -1.06 -2.24 -0.96 -4.17 114.28 101.91 3aek n THR 215 Ca -0.01 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3aek n THR 215 Cb 0.27 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 3aek n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aek n GLY 216 N -0.01 1.00 0.37 3.38 0.00 -0.37 -4.21 105.19 105.35 3aek n GLY 216 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3aek n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3aek h GLU 217 N 0.00 1.17 -0.17 1.61 4.57 -1.55 -1.38 114.58 118.82 3aek h GLU 217 Ca 0.00 -0.07 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 3aek h GLU 217 Cb 0.25 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3aek h GLU 217 CO 0.00 0.78 -0.40 0.77 -1.18 0.00 0.00 179.01 178.97 3aek h SER 218 N 1.21 0.65 0.36 1.04 0.02 -1.84 -2.24 113.55 112.76 3aek h SER 218 Ca 0.37 -0.57 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3aek h SER 218 Cb -0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3aek h SER 218 CO -0.11 1.10 -0.31 0.00 -1.14 0.00 0.00 176.83 176.38 3aek h ALA 219 N 0.57 1.41 -0.40 3.77 0.00 -1.79 -1.27 119.26 121.55 3aek h ALA 219 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3aek h ALA 219 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3aek h ALA 219 CO 0.09 0.38 -0.35 0.00 0.00 0.00 0.00 179.25 179.37 3aek h ALA 220 N 1.69 0.58 -0.16 0.00 0.00 -1.15 -2.07 119.26 118.15 3aek h ALA 220 Ca -0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.30 3aek h ALA 220 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3aek h ALA 220 CO 0.04 0.66 -0.60 0.00 0.00 0.00 0.00 179.25 179.35 3aek h ARG 221 N 0.76 0.52 -0.14 0.00 3.08 -1.14 -2.39 114.38 115.07 3aek h ARG 221 Ca 0.07 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 3aek h ARG 221 Cb 0.94 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3aek h ARG 221 CO 0.09 0.97 0.04 1.25 -1.07 0.00 0.00 179.97 181.24 3aek h HIS 222 N 0.39 0.24 0.00 3.04 2.76 -1.24 -2.90 115.15 117.43 3aek h HIS 222 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3aek h HIS 222 Cb 1.16 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.05 3aek h HIS 222 CO 0.05 0.37 0.00 -0.07 -1.30 0.00 0.00 177.93 176.98 3aek h LEU 223 N 0.04 0.00 -0.01 0.26 3.38 -1.33 0.42 115.31 118.07 3aek h LEU 223 Ca 0.05 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 3aek h LEU 223 Cb 0.25 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.02 3aek h LEU 223 CO 0.00 0.00 -1.07 -0.08 0.09 0.00 0.00 178.44 177.38 3aek h GLU 224 N 0.00 0.62 0.18 1.13 4.81 -1.31 -1.03 114.58 118.98 3aek h GLU 224 Ca 0.00 -0.70 -0.01 0.00 -0.13 0.00 0.00 59.36 58.52 3aek h GLU 224 Cb 0.30 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3aek h GLU 224 CO 0.00 1.29 -0.09 0.00 -0.73 0.00 0.00 179.01 179.48 3aek h ARG 225 N 0.33 -0.23 -0.18 1.92 3.08 -1.14 -2.82 114.38 115.34 3aek h ARG 225 Ca -0.13 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 3aek h ARG 225 Cb 1.72 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.83 3aek h ARG 225 CO 0.20 0.16 -0.38 0.00 -1.07 0.00 0.00 179.97 178.88 3aek h ALA 226 N -0.44 0.28 -0.15 0.04 0.00 -0.33 -3.34 119.26 115.32 3aek h ALA 226 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3aek h ALA 226 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3aek h ALA 226 CO 0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3aek n LYS 228 N -0.30 -1.40 -3.15 0.00 4.76 -0.95 -4.93 118.16 112.20 3aek n LYS 228 Ca 0.09 0.86 -0.40 0.00 -2.87 0.00 0.00 58.31 55.99 3aek n LYS 228 Cb 0.45 -5.16 -0.06 0.00 -1.84 0.00 0.00 35.03 28.41 3aek n LYS 228 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3aek s GLN 229 N -3.42 4.17 0.60 1.97 -0.21 -1.01 -4.95 119.66 116.81 3aek s GLN 229 Ca 0.00 0.53 -0.17 0.00 0.02 0.00 0.00 55.36 55.74 3aek s GLN 229 Cb 0.00 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 3aek s GLN 229 CO 0.00 -0.28 1.12 -2.14 -2.12 0.00 0.00 175.29 171.86 3aek s PRO 230 N 2.07 3.07 0.07 2.91 0.02 -1.26 -3.63 135.00 138.24 3aek s PRO 230 Ca 0.26 1.49 0.08 0.00 0.02 0.00 0.00 61.00 62.85 3aek s PRO 230 Cb -0.16 -1.98 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3aek s PRO 230 CO 0.10 -1.05 -0.22 -0.59 -0.33 0.00 0.00 177.00 174.90 3aek s PHE 231 N -2.08 1.92 0.30 6.54 -0.12 -1.26 -0.79 117.98 122.49 3aek s PHE 231 Ca 0.70 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.89 3aek s PHE 231 Cb -0.22 -1.11 -0.10 0.00 -0.63 0.00 0.00 43.02 40.96 3aek s PHE 231 CO 0.35 0.15 1.27 0.95 -0.05 0.00 0.00 175.22 177.88 3aek s THR 232 N -0.92 2.93 -0.44 -4.49 -4.23 -0.77 -4.94 115.64 102.78 3aek s THR 232 Ca 0.08 0.91 0.18 0.00 -1.18 0.00 0.00 61.69 61.68 3aek s THR 232 Cb -0.09 -3.58 -0.24 0.00 1.34 0.00 0.00 72.50 69.93 3aek s THR 232 CO 0.03 0.20 0.58 0.29 -0.54 0.00 0.00 174.62 175.19 3aek n LYS 233 N 1.17 0.85 -3.58 3.99 4.76 -1.26 -4.09 118.16 120.01 3aek n LYS 233 Ca 0.01 -0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.00 3aek n LYS 233 Cb 0.42 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 3aek n LYS 233 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3aek s ILE 234 N -2.96 5.31 -0.32 -0.18 1.01 -1.26 -5.07 121.20 117.73 3aek s ILE 234 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 3aek s ILE 234 Cb 0.13 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3aek s ILE 234 CO 0.74 0.30 0.60 -0.69 0.00 0.00 0.00 174.94 175.89 3aek s VAL 235 N 1.27 4.96 -0.95 2.92 1.01 -1.26 -4.80 120.40 123.54 3aek s VAL 235 Ca 0.10 0.72 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 3aek s VAL 235 Cb -0.14 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3aek s VAL 235 CO 0.06 -0.16 2.11 -0.81 0.00 0.00 0.00 175.10 176.31 3aek n PRO 236 N 5.85 2.05 -3.94 2.72 -0.04 -1.26 -4.70 135.00 135.67 3aek n PRO 236 Ca -0.02 -1.68 -0.35 0.00 -0.04 0.00 0.00 63.50 61.41 3aek n PRO 236 Cb 0.49 -2.66 -0.14 0.00 -0.04 0.00 0.00 33.50 31.15 3aek n PRO 236 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3aek s ILE 237 N 3.80 2.98 0.00 0.52 1.01 -1.26 -0.96 121.20 127.29 3aek s ILE 237 Ca 0.47 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.13 3aek s ILE 237 Cb 0.12 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3aek s ILE 237 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3aek n GLY 238 N 4.69 2.68 0.13 6.18 0.00 -1.26 -4.54 105.19 113.07 3aek n GLY 238 Ca -0.16 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3aek n GLY 238 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3aek h VAL 239 N 0.00 0.89 -0.68 1.61 2.07 -1.95 -1.02 116.25 117.18 3aek h VAL 239 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3aek h VAL 239 Cb 0.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3aek h VAL 239 CO 0.00 0.06 0.43 1.23 0.02 0.00 0.00 177.57 179.31 3aek h GLY 240 N -0.35 0.97 1.62 2.17 0.00 -1.99 -1.33 103.07 104.16 3aek h GLY 240 Ca -0.02 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 3aek h GLY 240 CO 0.04 0.37 -0.35 0.00 0.00 0.00 0.00 176.54 176.60 3aek h ALA 241 N 1.23 1.02 -0.21 3.60 0.00 -1.79 -0.69 119.26 122.43 3aek h ALA 241 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3aek h ALA 241 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3aek h ALA 241 CO -0.05 0.60 0.08 1.15 0.00 0.00 0.00 179.25 181.03 3aek h THR 242 N 0.37 1.17 -0.83 0.00 2.02 -0.88 0.58 112.91 115.34 3aek h THR 242 Ca 0.04 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 3aek h THR 242 Cb 0.79 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3aek h THR 242 CO 0.06 0.17 0.42 0.03 0.37 0.00 0.00 175.52 176.57 3aek h ARG 243 N 0.18 1.18 -0.44 6.66 3.08 -1.09 -0.06 114.38 123.90 3aek h ARG 243 Ca 0.07 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3aek h ARG 243 Cb 0.19 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3aek h ARG 243 CO -0.00 0.89 -0.11 -0.44 -1.07 0.00 0.00 179.97 179.23 3aek h ASP 244 N 1.17 0.77 -0.36 7.04 3.32 -1.04 -1.97 116.42 125.36 3aek h ASP 244 Ca 0.29 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 3aek h ASP 244 Cb 0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3aek h ASP 244 CO -0.04 0.91 0.15 0.15 -1.72 0.00 0.00 179.24 178.69 3aek h PHE 245 N 0.71 0.55 -0.52 4.55 3.57 -0.31 -0.87 116.94 124.62 3aek h PHE 245 Ca 0.12 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 3aek h PHE 245 Cb 0.59 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3aek h PHE 245 CO 0.03 0.49 0.02 -0.07 -2.23 0.00 0.00 178.31 176.55 3aek h LEU 246 N 0.44 0.83 -0.63 0.59 3.38 -0.90 -0.62 115.31 118.39 3aek h LEU 246 Ca 0.12 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3aek h LEU 246 Cb 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3aek h LEU 246 CO -0.01 0.88 -0.47 0.00 0.09 0.00 0.00 178.44 178.93 3aek h ALA 247 N 1.21 0.81 -0.15 1.53 0.00 -1.30 -0.70 119.26 120.66 3aek h ALA 247 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3aek h ALA 247 Cb 0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3aek h ALA 247 CO 0.02 0.66 0.07 1.49 0.00 0.00 0.00 179.25 181.49 3aek h GLU 248 N 0.42 0.22 -0.26 0.00 4.81 -0.82 -2.26 114.58 116.69 3aek h GLU 248 Ca 0.03 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3aek h GLU 248 Cb 0.98 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 3aek h GLU 248 CO 0.09 0.28 0.06 0.28 -0.73 0.00 0.00 179.01 178.99 3aek h VAL 249 N 0.10 1.13 -0.43 0.32 2.07 -1.05 -2.43 116.25 115.97 3aek h VAL 249 Ca 0.05 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3aek h VAL 249 Cb 0.14 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3aek h VAL 249 CO -0.01 0.16 0.02 -1.28 0.02 0.00 0.00 177.57 176.48 3aek h SER 250 N 0.36 0.64 0.16 0.57 0.87 -0.80 -2.43 113.55 112.93 3aek h SER 250 Ca 0.09 -0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 3aek h SER 250 Cb 0.15 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3aek h SER 250 CO -0.00 0.70 -0.73 0.50 -0.53 0.00 0.00 176.83 176.77 3aek h LYS 251 N 0.64 0.49 -0.58 2.24 3.64 -0.93 0.05 116.57 122.13 3aek h LYS 251 Ca 0.13 -0.40 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 3aek h LYS 251 Cb 0.38 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3aek h LYS 251 CO 0.01 1.03 -0.01 0.82 -2.27 0.00 0.00 179.45 179.03 3aek h ILE 252 N 0.34 1.27 0.00 2.00 2.04 -1.36 -3.34 117.51 118.45 3aek h ILE 252 Ca -0.03 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 3aek h ILE 252 Cb 1.31 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3aek h ILE 252 CO 0.13 0.41 -1.76 0.35 0.00 0.00 0.00 178.15 177.28 3aek n THR 253 N -4.21 0.10 0.00 -0.27 -2.24 -0.93 -4.99 114.28 101.74 3aek n THR 253 Ca 0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3aek n THR 253 Cb 0.35 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3aek n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3aek n GLY 254 N 1.64 2.64 3.76 3.38 0.00 0.00 -5.03 105.19 111.58 3aek n GLY 254 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3aek n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aek s LEU 255 N 0.00 4.44 0.47 0.99 1.43 -1.24 -4.98 118.68 119.80 3aek s LEU 255 Ca 0.00 2.54 -0.22 0.00 -1.03 0.00 0.00 54.13 55.42 3aek s LEU 255 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 3aek s LEU 255 CO 0.00 -0.47 1.13 -2.16 0.23 0.00 0.00 176.35 175.08 3aek s PRO 256 N -1.21 3.72 -0.01 1.29 0.04 -1.26 -4.43 135.00 133.15 3aek s PRO 256 Ca 0.51 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 3aek s PRO 256 Cb -0.38 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3aek s PRO 256 CO 0.46 -0.56 1.18 0.14 0.04 0.00 0.00 177.00 178.26 3aek s VAL 257 N -1.64 4.23 -0.09 -0.36 -7.23 -1.26 -4.91 120.40 109.14 3aek s VAL 257 Ca 0.65 1.58 0.03 0.00 -1.81 0.00 0.00 61.98 62.44 3aek s VAL 257 Cb -0.26 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.67 3aek s VAL 257 CO 0.31 0.06 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.27 3aek s VAL 258 N 1.67 1.73 0.05 1.32 1.01 -1.26 -5.09 120.40 119.82 3aek s VAL 258 Ca 0.57 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3aek s VAL 258 Cb -0.26 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3aek s VAL 258 CO 0.25 0.49 -0.19 0.42 0.00 0.00 0.00 175.10 176.07 3aek s THR 259 N 0.46 1.50 -0.38 3.92 -4.23 -1.26 -4.17 115.64 111.48 3aek s THR 259 Ca -0.17 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 3aek s THR 259 Cb -0.17 -1.33 0.08 0.00 1.34 0.00 0.00 72.50 72.43 3aek s THR 259 CO 0.07 0.11 0.15 -0.62 -0.54 0.00 0.00 174.62 173.79 3aek s ASP 260 N -1.26 5.22 -0.18 3.99 -1.08 -1.26 -4.95 116.67 117.15 3aek s ASP 260 Ca 0.05 -1.68 0.17 0.00 -0.52 0.00 0.00 52.55 50.57 3aek s ASP 260 Cb -0.09 -1.83 0.54 0.00 -1.46 0.00 0.00 42.92 40.09 3aek s ASP 260 CO 0.02 -0.45 1.43 -0.62 0.52 0.00 0.00 175.17 176.07 3aek n GLU 261 N 4.67 2.95 0.01 4.34 1.02 -1.26 -4.63 120.64 127.75 3aek n GLU 261 Ca -0.07 -2.86 0.04 0.00 -0.02 0.00 0.00 57.16 54.25 3aek n GLU 261 Cb 0.42 -1.86 0.19 0.00 -0.02 0.00 0.00 31.44 30.18 3aek n GLU 261 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3aek n SER 262 N -0.50 0.04 0.00 1.62 3.41 -1.26 -2.49 113.62 114.45 3aek n SER 262 Ca 0.22 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3aek n SER 262 Cb 0.91 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3aek n SER 262 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3aek n THR 263 N -1.55 0.24 -2.72 6.66 -1.04 -1.26 -4.99 114.28 109.61 3aek n THR 263 Ca 0.02 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.25 3aek n THR 263 Cb 0.09 1.15 -0.03 0.00 -1.82 0.00 0.00 70.33 69.72 3aek n THR 263 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3aek s LEU 264 N -0.24 3.80 -0.01 -4.42 0.20 -1.04 -4.85 118.68 112.13 3aek s LEU 264 Ca 0.00 -0.21 0.06 0.00 0.69 0.00 0.00 54.13 54.67 3aek s LEU 264 Cb 0.00 -2.92 -0.09 0.00 -0.43 0.00 0.00 46.19 42.75 3aek s LEU 264 CO 0.00 -1.38 0.15 0.54 -0.29 0.00 0.00 176.35 175.37 3aek n ARG 265 N 7.98 0.67 -0.23 1.98 1.74 -1.26 -4.67 116.66 122.87 3aek n ARG 265 Ca 0.04 -0.05 0.04 0.00 -0.77 0.00 0.00 57.85 57.11 3aek n ARG 265 Cb 0.48 -1.11 0.16 0.00 -1.02 0.00 0.00 32.46 30.96 3aek n ARG 265 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3aek h GLN 266 N 0.00 0.30 -0.59 5.56 -0.00 -1.89 -0.69 115.11 117.80 3aek h GLN 266 Ca 0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 58.65 58.67 3aek h GLN 266 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.64 3aek h GLN 266 CO 0.00 0.20 0.35 -1.35 0.00 0.00 0.00 178.83 178.03 3aek h PRO 267 N 0.31 0.66 -0.33 -2.39 0.11 -1.95 -0.11 132.00 128.30 3aek h PRO 267 Ca 0.38 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.33 3aek h PRO 267 Cb 0.60 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3aek h PRO 267 CO -0.45 0.43 -0.25 2.35 -0.21 0.00 0.00 178.00 179.88 3aek h TRP 268 N 0.68 0.89 -0.55 0.65 2.91 -1.78 -0.47 115.95 118.29 3aek h TRP 268 Ca 0.25 -0.25 0.10 0.00 1.13 0.00 0.00 58.89 60.12 3aek h TRP 268 Cb 0.07 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.44 3aek h TRP 268 CO -0.07 1.00 0.10 -1.49 -1.03 0.00 0.00 178.44 176.95 3aek h TRP 269 N 0.53 0.15 -0.08 2.65 6.55 -0.95 0.28 115.95 125.09 3aek h TRP 269 Ca 0.06 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.81 3aek h TRP 269 Cb 0.81 0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 29.12 3aek h TRP 269 CO 0.07 -0.03 -0.50 1.03 -1.05 0.00 0.00 178.44 177.95 3aek h SER 270 N 0.23 0.23 1.00 -3.49 0.87 -0.90 -3.17 113.55 108.32 3aek h SER 270 Ca 0.28 -0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.52 3aek h SER 270 Cb 0.40 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3aek h SER 270 CO -0.38 0.70 -1.01 0.00 -0.53 0.00 0.00 176.83 175.61 3aek h ALA 271 N 1.31 0.39 -2.63 6.23 0.00 -0.55 -3.43 119.26 120.57 3aek h ALA 271 Ca 0.01 -0.92 -0.55 0.00 0.00 0.00 0.00 54.91 53.45 3aek h ALA 271 Cb 0.95 -0.12 0.18 0.00 0.00 0.00 0.00 17.79 18.81 3aek h ALA 271 CO 0.08 1.23 0.14 -1.13 0.00 0.00 0.00 179.25 179.57 3aek n SER 272 N -3.32 0.50 0.25 0.00 3.41 0.95 -4.90 113.62 110.52 3aek n SER 272 Ca -0.01 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 3aek n SER 272 Cb 0.93 -1.43 0.67 0.00 -0.26 0.00 0.00 64.21 64.13 3aek n SER 272 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3aek h VAL 273 N -0.55 0.80 -0.57 -3.33 2.07 -1.89 -1.75 116.25 111.02 3aek h VAL 273 Ca -0.47 -0.43 0.17 0.00 0.82 0.00 0.00 66.70 66.78 3aek h VAL 273 Cb 1.32 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 3aek h VAL 273 CO 0.46 0.11 0.42 0.44 0.02 0.00 0.00 177.57 179.01 3aek h ASP 274 N 0.00 0.00 -0.18 0.57 3.45 -1.90 -2.78 116.42 115.58 3aek h ASP 274 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3aek h ASP 274 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 3aek h ASP 274 CO 0.01 0.00 0.00 -1.20 -1.57 0.00 0.00 179.24 176.48 3aek n SER 275 N -4.34 2.24 0.07 6.45 7.64 -0.66 -4.42 113.62 120.60 3aek n SER 275 Ca 0.11 -1.78 -0.01 0.00 1.01 0.00 0.00 58.87 58.20 3aek n SER 275 Cb 0.65 -0.11 0.28 0.00 -1.01 0.00 0.00 64.21 64.02 3aek n SER 275 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3aek h THR 276 N 3.10 1.24 0.00 0.44 1.35 -1.63 -2.10 112.91 115.30 3aek h THR 276 Ca 0.00 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3aek h THR 276 Cb 0.67 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 3aek h THR 276 CO 0.00 0.34 0.00 0.00 -0.25 0.00 0.00 175.52 175.61 3aek n TYR 277 N -4.17 0.21 0.40 4.73 0.18 -1.26 -2.15 117.16 115.11 3aek n TYR 277 Ca -0.01 0.09 0.13 0.00 1.88 0.00 0.00 57.90 60.00 3aek n TYR 277 Cb 0.36 -0.65 0.36 0.00 -0.38 0.00 0.00 39.34 39.03 3aek n TYR 277 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3aek h LEU 278 N 0.00 0.00 -9.35 -3.48 3.38 -1.70 -3.44 115.31 100.72 3aek h LEU 278 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3aek h LEU 278 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 3aek h LEU 278 CO 0.00 0.00 1.21 -0.89 0.09 0.00 0.00 178.44 178.85 3aek s THR 279 N -3.24 3.08 0.00 0.22 2.01 -0.91 -2.28 115.64 114.51 3aek s THR 279 Ca 0.07 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3aek s THR 279 Cb 0.09 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.52 3aek s THR 279 CO 0.59 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3aek n GLY 280 N 4.47 0.79 3.69 4.40 0.00 -0.08 -4.97 105.19 113.49 3aek n GLY 280 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3aek n GLY 280 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3aek n LYS 281 N -2.34 2.73 -2.67 1.61 4.76 -0.97 -4.16 118.16 117.13 3aek n LYS 281 Ca 0.00 0.99 -0.43 0.00 -2.87 0.00 0.00 58.31 56.00 3aek n LYS 281 Cb 0.00 -2.88 -0.02 0.00 -1.84 0.00 0.00 35.03 30.29 3aek n LYS 281 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3aek s ARG 282 N 2.54 4.18 -0.10 1.97 0.52 -1.26 -0.88 118.95 125.93 3aek s ARG 282 Ca 0.82 1.22 0.02 0.00 -0.52 0.00 0.00 55.73 57.26 3aek s ARG 282 Cb -0.50 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.28 3aek s ARG 282 CO 0.37 -0.72 -0.17 0.54 0.02 0.00 0.00 175.30 175.34 3aek s VAL 283 N 3.34 2.69 -0.16 3.52 0.11 0.29 0.07 120.40 130.25 3aek s VAL 283 Ca 0.44 -0.81 -0.06 0.00 -2.93 0.00 0.00 61.98 58.61 3aek s VAL 283 Cb -0.14 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 3aek s VAL 283 CO 0.10 0.55 0.06 0.12 -3.33 0.00 0.00 175.10 172.59 3aek s PHE 284 N 0.11 3.26 -0.12 1.54 5.36 -0.49 -0.52 117.98 127.11 3aek s PHE 284 Ca -0.08 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 3aek s PHE 284 Cb -0.15 -2.02 0.01 0.00 -0.34 0.00 0.00 43.02 40.52 3aek s PHE 284 CO 0.05 0.23 -0.16 0.42 -1.46 0.00 0.00 175.22 174.31 3aek s ILE 285 N 0.09 1.61 0.06 3.12 1.01 -0.06 -0.32 121.20 126.70 3aek s ILE 285 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 3aek s ILE 285 Cb -0.12 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 3aek s ILE 285 CO 0.01 0.46 0.04 0.12 0.00 0.00 0.00 174.94 175.57 3aek s PHE 286 N 1.02 0.39 -5.00 3.97 2.19 0.40 -1.65 117.98 119.29 3aek s PHE 286 Ca -0.05 -0.89 0.00 0.00 0.33 0.00 0.00 56.93 56.32 3aek s PHE 286 Cb -0.15 -0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.28 3aek s PHE 286 CO -0.03 -0.42 0.00 0.41 1.83 0.00 0.00 175.22 177.02 3aek n GLY 287 N 0.16 0.50 3.86 13.12 0.00 -1.22 -3.77 105.19 117.83 3aek n GLY 287 Ca -0.15 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 3aek n GLY 287 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3aek s ASP 288 N -4.00 6.47 0.15 1.61 3.84 -1.26 -2.14 116.67 121.34 3aek s ASP 288 Ca 0.00 1.42 -0.23 0.00 -0.00 0.00 0.00 52.55 53.74 3aek s ASP 288 Cb 0.00 -2.45 0.04 0.00 -1.38 0.00 0.00 42.92 39.12 3aek s ASP 288 CO 0.00 -0.64 1.61 1.23 -0.00 0.00 0.00 175.17 177.37 3aek h GLY 289 N 0.57 -0.24 -0.21 2.12 0.00 -1.89 -1.72 103.07 101.70 3aek h GLY 289 Ca -0.46 0.36 0.11 0.00 0.00 0.00 0.00 47.33 47.34 3aek h GLY 289 CO 0.62 -0.21 -0.21 -0.84 0.00 0.00 0.00 176.54 175.90 3aek h THR 290 N -0.28 0.34 0.00 4.70 2.02 -1.94 -0.22 112.91 117.53 3aek h THR 290 Ca 0.15 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.20 3aek h THR 290 Cb 0.51 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3aek h THR 290 CO -0.45 0.00 -0.61 0.45 0.37 0.00 0.00 175.52 175.28 3aek h HIS 291 N -0.08 0.00 0.06 3.16 3.86 -1.78 -2.40 115.15 117.98 3aek h HIS 291 Ca 0.25 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.21 3aek h HIS 291 Cb 0.47 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.97 3aek h HIS 291 CO -0.52 0.61 -1.02 0.28 0.86 0.00 0.00 177.93 178.15 3aek h VAL 292 N 0.00 1.33 -0.40 2.45 2.07 -0.96 -0.71 116.25 120.03 3aek h VAL 292 Ca -0.01 -2.32 0.01 0.00 0.82 0.00 0.00 66.70 65.20 3aek h VAL 292 Cb 1.29 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.68 3aek h VAL 292 CO 0.08 0.70 0.25 0.40 0.02 0.00 0.00 177.57 179.02 3aek h ILE 293 N 0.17 1.08 -0.43 4.57 2.04 -1.06 -1.89 117.51 121.99 3aek h ILE 293 Ca -0.15 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3aek h ILE 293 Cb 1.71 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3aek h ILE 293 CO 0.20 0.09 -0.07 0.00 0.00 0.00 0.00 178.15 178.37 3aek h ALA 294 N 1.16 0.59 -0.79 1.87 0.00 -1.44 -3.15 119.26 117.49 3aek h ALA 294 Ca 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3aek h ALA 294 Cb -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3aek h ALA 294 CO -0.05 0.44 0.30 0.00 0.00 0.00 0.00 179.25 179.95 3aek h ALA 295 N 0.87 1.04 -0.91 0.00 0.00 -1.05 -2.92 119.26 116.29 3aek h ALA 295 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3aek h ALA 295 Cb 0.59 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3aek h ALA 295 CO 0.04 0.67 0.50 0.00 0.00 0.00 0.00 179.25 180.46 3aek h ALA 296 N 1.17 1.18 -0.06 0.00 0.00 -1.30 0.14 119.26 120.38 3aek h ALA 296 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3aek h ALA 296 Cb 0.24 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3aek h ALA 296 CO -0.02 0.67 0.00 -0.09 0.00 0.00 0.00 179.25 179.81 3aek h ARG 297 N 1.27 0.10 0.04 0.00 2.43 -1.50 -0.62 114.38 116.09 3aek h ARG 297 Ca 0.32 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3aek h ARG 297 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3aek h ARG 297 CO -0.05 0.35 -0.15 0.82 -1.51 0.00 0.00 179.97 179.43 3aek h ILE 298 N -0.17 0.63 -0.31 1.20 2.04 -1.41 0.37 117.51 119.85 3aek h ILE 298 Ca 0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3aek h ILE 298 Cb 0.31 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3aek h ILE 298 CO 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 3aek h ALA 299 N 0.63 -0.30 0.00 1.87 0.00 -0.65 0.10 119.26 120.93 3aek h ALA 299 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3aek h ALA 299 Cb 0.32 0.72 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3aek h ALA 299 CO -0.12 -0.78 -0.14 0.00 0.00 0.00 0.00 179.25 178.21 3aek h ALA 300 N 0.57 0.01 0.00 0.00 0.00 -1.02 0.13 119.26 118.95 3aek h ALA 300 Ca 0.14 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3aek h ALA 300 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3aek h ALA 300 CO -0.49 0.01 -1.20 1.63 0.00 0.00 0.00 179.25 179.20 3aek n LYS 301 N -4.59 0.27 -0.01 0.00 5.02 0.13 -3.59 118.16 115.39 3aek n LYS 301 Ca -0.10 -0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.14 3aek n LYS 301 Cb 0.47 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.92 3aek n LYS 301 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3aek n GLU 302 N -1.87 2.19 -0.06 1.97 1.02 -0.31 -4.81 120.64 118.76 3aek n GLU 302 Ca 0.01 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 3aek n GLU 302 Cb 0.43 -1.04 -0.13 0.00 -0.02 0.00 0.00 31.44 30.68 3aek n GLU 302 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3aek n VAL 303 N -2.27 0.82 -0.36 2.62 0.31 0.21 -4.88 118.33 114.79 3aek n VAL 303 Ca -0.03 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3aek n VAL 303 Cb 0.55 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 3aek n VAL 303 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3aek n GLY 304 N 1.84 0.82 3.74 2.92 0.00 -0.45 -4.63 105.19 109.43 3aek n GLY 304 Ca -0.20 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3aek n GLY 304 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3aek s PHE 305 N -2.00 2.24 -0.26 1.61 0.08 0.31 -0.90 117.98 119.07 3aek s PHE 305 Ca 0.00 1.59 -0.16 0.00 0.12 0.00 0.00 56.93 58.48 3aek s PHE 305 Cb 0.00 -3.34 -0.03 0.00 -0.57 0.00 0.00 43.02 39.07 3aek s PHE 305 CO 0.00 -2.27 0.42 -2.00 -0.10 0.00 0.00 175.22 171.28 3aek s GLU 306 N -4.04 4.05 -0.39 0.44 2.12 -0.05 -4.06 118.70 116.76 3aek s GLU 306 Ca 0.71 0.15 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 3aek s GLU 306 Cb -0.25 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.52 3aek s GLU 306 CO 0.45 -0.28 1.12 0.08 -0.54 0.00 0.00 175.26 176.09 3aek s VAL 307 N 2.08 4.35 -1.44 3.70 1.01 -1.26 -0.55 120.40 128.29 3aek s VAL 307 Ca 0.18 1.49 0.16 0.00 0.00 0.00 0.00 61.98 63.81 3aek s VAL 307 Cb -0.16 -4.48 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 3aek s VAL 307 CO 0.09 -0.71 0.85 1.33 0.00 0.00 0.00 175.10 176.66 3aek n VAL 308 N 6.32 0.00 -3.62 2.92 0.24 0.32 -4.90 118.33 119.61 3aek n VAL 308 Ca 0.12 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 3aek n VAL 308 Cb 0.48 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.96 3aek n VAL 308 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3aek s GLY 309 N -1.99 -0.46 -0.04 7.63 0.00 -1.19 -4.95 107.32 106.32 3aek s GLY 309 Ca 0.13 2.10 -0.01 0.00 0.00 0.00 0.00 44.72 46.94 3aek s GLY 309 CO 0.44 1.69 0.08 1.06 0.00 0.00 0.00 173.10 176.37 3aek s MET 310 N 0.20 0.01 0.17 2.90 -1.94 -1.25 -0.88 119.30 118.52 3aek s MET 310 Ca -0.00 0.27 -0.21 0.00 -1.71 0.00 0.00 55.69 54.04 3aek s MET 310 Cb -0.05 -0.23 0.05 0.00 2.01 0.00 0.00 34.83 36.62 3aek s MET 310 CO 0.00 -0.17 0.56 0.20 -0.01 0.00 0.00 175.02 175.60 3aek s GLY 311 N 1.16 -0.41 0.04 -0.03 0.00 -0.66 0.10 107.32 107.52 3aek s GLY 311 Ca -0.09 0.19 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 3aek s GLY 311 CO -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 173.10 173.05 3aek h TYR 313 N 3.83 0.00 -3.54 0.00 -0.00 -1.53 -2.84 116.97 112.89 3aek h TYR 313 Ca -0.33 0.00 -0.71 0.00 -0.00 0.00 0.00 58.73 57.69 3aek h TYR 313 Cb 1.18 0.00 -0.22 0.00 -0.00 0.00 0.00 36.73 37.69 3aek h TYR 313 CO 0.58 0.00 -0.46 0.54 -0.00 0.00 0.00 178.16 178.82 3aek s ASN 314 N -4.80 6.00 0.62 0.10 4.22 -1.26 -4.31 114.94 115.52 3aek s ASN 314 Ca 0.03 -0.87 0.39 0.00 -2.14 0.00 0.00 52.86 50.26 3aek s ASN 314 Cb 0.11 -2.12 2.07 0.00 1.28 0.00 0.00 41.25 42.59 3aek s ASN 314 CO 0.76 -0.41 2.26 -0.09 -2.04 0.00 0.00 177.10 177.58 3aek h ARG 315 N 8.57 0.00 -0.10 3.55 2.43 -1.97 -1.57 114.38 125.29 3aek h ARG 315 Ca -0.27 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3aek h ARG 315 Cb 1.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3aek h ARG 315 CO 0.70 0.02 0.09 0.93 -1.51 0.00 0.00 179.97 180.20 3aek h GLU 316 N 0.00 0.00 -0.58 0.20 3.07 -2.00 -1.95 114.58 113.31 3aek h GLU 316 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3aek h GLU 316 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3aek h GLU 316 CO 0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 3aek n MET 317 N -4.12 3.00 -0.20 2.33 2.81 -0.59 -4.68 117.12 115.67 3aek n MET 317 Ca -0.01 -2.54 -0.03 0.00 -1.81 0.00 0.00 57.70 53.31 3aek n MET 317 Cb 0.20 -1.56 0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3aek n MET 317 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3aek h ALA 318 N 3.45 0.76 0.07 3.04 0.00 -1.42 -2.24 119.26 122.91 3aek h ALA 318 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3aek h ALA 318 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3aek h ALA 318 CO 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 3aek h ARG 319 N 0.57 -0.09 -0.69 0.00 3.08 -1.83 -1.01 114.38 114.41 3aek h ARG 319 Ca 0.26 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.45 3aek h ARG 319 Cb 0.17 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3aek h ARG 319 CO -0.18 0.36 0.46 -1.00 -1.07 0.00 0.00 179.97 178.55 3aek h PRO 320 N -0.59 0.34 -0.11 0.04 0.13 -1.90 -1.26 132.00 128.65 3aek h PRO 320 Ca -0.01 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.00 3aek h PRO 320 Cb 0.50 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.55 3aek h PRO 320 CO 0.02 0.22 -0.32 1.25 -0.23 0.00 0.00 178.00 178.94 3aek h LEU 321 N 0.35 0.48 -0.57 1.56 5.85 -1.33 -1.56 115.31 120.09 3aek h LEU 321 Ca 0.33 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.53 3aek h LEU 321 Cb 0.81 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 3aek h LEU 321 CO -0.09 0.99 0.23 0.03 -0.34 0.00 0.00 178.44 179.26 3aek h ARG 322 N -0.00 0.42 -0.13 1.25 3.08 -0.88 0.25 114.38 118.37 3aek h ARG 322 Ca -0.01 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3aek h ARG 322 Cb 0.94 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3aek h ARG 322 CO 0.07 0.28 0.02 1.15 -1.07 0.00 0.00 179.97 180.42 3aek h THR 323 N 0.43 0.94 -0.58 2.04 2.02 -1.22 -2.37 112.91 114.18 3aek h THR 323 Ca 0.28 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 3aek h THR 323 Cb 0.30 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3aek h THR 323 CO -0.26 0.01 0.14 0.00 0.37 0.00 0.00 175.52 175.78 3aek h ALA 324 N 1.09 0.76 -0.64 6.16 0.00 -0.92 -3.18 119.26 122.54 3aek h ALA 324 Ca 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3aek h ALA 324 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3aek h ALA 324 CO -0.08 0.47 0.27 0.00 0.00 0.00 0.00 179.25 179.92 3aek h ALA 325 N 1.03 1.28 -0.08 0.00 0.00 -0.31 -2.71 119.26 118.46 3aek h ALA 325 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3aek h ALA 325 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3aek h ALA 325 CO 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 3aek h ALA 326 N 1.39 1.84 0.00 0.00 0.00 -1.40 -0.42 119.26 120.66 3aek h ALA 326 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3aek h ALA 326 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3aek h ALA 326 CO -0.02 0.13 -0.06 0.93 0.00 0.00 0.00 179.25 180.22 3aek h GLU 327 N 0.12 0.00 -0.19 0.00 5.08 -1.57 -1.20 114.58 116.81 3aek h GLU 327 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3aek h GLU 327 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3aek h GLU 327 CO 0.00 0.06 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 3aek n TYR 328 N -3.52 0.23 -2.11 4.33 4.02 -0.24 -4.95 117.16 114.92 3aek n TYR 328 Ca -0.02 -0.11 -0.05 0.00 -0.01 0.00 0.00 57.90 57.71 3aek n TYR 328 Cb 0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.50 3aek n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3aek n GLY 329 N 1.39 0.18 3.39 2.72 0.00 -0.45 -5.01 105.19 107.41 3aek n GLY 329 Ca 0.17 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3aek n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aek s LEU 330 N -1.42 2.44 -0.21 0.99 1.02 -0.77 -5.00 118.68 115.73 3aek s LEU 330 Ca 0.00 -0.87 -0.15 0.00 0.02 0.00 0.00 54.13 53.13 3aek s LEU 330 Cb -0.00 -1.03 -0.04 0.00 0.02 0.00 0.00 46.19 45.14 3aek s LEU 330 CO 0.00 0.06 0.36 -1.61 0.02 0.00 0.00 176.35 175.18 3aek s GLU 331 N -2.76 4.14 0.22 1.70 0.41 -1.26 -3.29 118.70 117.87 3aek s GLU 331 Ca 0.19 0.12 -0.30 0.00 -0.41 0.00 0.00 54.97 54.57 3aek s GLU 331 Cb -0.07 -3.55 -0.10 0.00 -1.78 0.00 0.00 34.13 28.63 3aek s GLU 331 CO 0.09 -0.05 1.46 0.00 -0.49 0.00 0.00 175.26 176.27 3aek s ALA 332 N 1.35 3.66 -0.55 5.21 0.00 -1.26 -4.65 121.76 125.51 3aek s ALA 332 Ca 0.17 1.31 -0.22 0.00 0.00 0.00 0.00 51.96 53.22 3aek s ALA 332 Cb -0.15 -3.57 0.05 0.00 0.00 0.00 0.00 23.12 19.46 3aek s ALA 332 CO 0.08 -0.73 0.84 -1.17 0.00 0.00 0.00 175.76 174.77 3aek s LEU 333 N 0.11 4.45 -0.51 0.00 2.96 0.12 -4.96 118.68 120.84 3aek s LEU 333 Ca 0.62 -0.64 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 3aek s LEU 333 Cb -0.42 -2.64 0.10 0.00 0.50 0.00 0.00 46.19 43.74 3aek s LEU 333 CO 0.39 -1.15 0.46 -0.63 -1.32 0.00 0.00 176.35 174.10 3aek s ILE 334 N 3.51 5.21 -0.13 6.68 -1.09 -1.26 -2.01 121.20 132.11 3aek s ILE 334 Ca 0.24 -1.28 -0.25 0.00 -2.23 0.00 0.00 60.65 57.13 3aek s ILE 334 Cb -0.16 -4.25 0.06 0.00 -1.58 0.00 0.00 42.46 36.54 3aek s ILE 334 CO 0.15 -0.74 0.62 0.28 -1.23 0.00 0.00 174.94 174.02 3aek s THR 335 N 1.65 0.01 -1.74 2.92 -1.32 -1.07 -5.01 115.64 111.08 3aek s THR 335 Ca 0.04 -0.06 0.20 0.00 -1.21 0.00 0.00 61.69 60.66 3aek s THR 335 Cb -0.27 -0.91 0.56 0.00 -1.51 0.00 0.00 72.50 70.38 3aek s THR 335 CO 0.05 -0.03 1.47 -0.90 -2.21 0.00 0.00 174.62 173.00 3aek n ASP 336 N 1.78 3.71 -4.33 8.08 5.68 -1.26 -3.79 116.55 126.42 3aek n ASP 336 Ca -0.17 -2.00 -0.42 0.00 -0.50 0.00 0.00 54.79 51.70 3aek n ASP 336 Cb 0.56 -0.42 -0.09 0.00 -1.14 0.00 0.00 41.12 40.03 3aek n ASP 336 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3aek s ASP 337 N -1.01 5.90 0.56 -1.12 2.15 -1.26 -4.61 116.67 117.28 3aek s ASP 337 Ca 0.43 -1.42 0.23 0.00 0.43 0.00 0.00 52.55 52.22 3aek s ASP 337 Cb 0.22 -2.09 1.55 0.00 -0.30 0.00 0.00 42.92 42.31 3aek s ASP 337 CO 0.29 -0.60 2.19 0.10 -0.17 0.00 0.00 175.17 176.98 3aek h TYR 338 N 8.59 0.00 -0.26 -5.34 -0.00 -1.91 0.42 116.97 118.47 3aek h TYR 338 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.40 3aek h TYR 338 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.81 3aek h TYR 338 CO 0.63 0.00 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.56 3aek h LEU 339 N 0.00 0.43 -0.33 0.10 3.38 -1.99 0.87 115.31 117.77 3aek h LEU 339 Ca 0.02 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 3aek h LEU 339 Cb 0.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3aek h LEU 339 CO -0.00 0.61 -0.48 -0.33 0.09 0.00 0.00 178.44 178.33 3aek h GLU 340 N 0.41 0.91 -0.19 1.13 5.08 -1.35 -1.90 114.58 118.66 3aek h GLU 340 Ca 0.07 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3aek h GLU 340 Cb 0.52 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3aek h GLU 340 CO 0.03 1.18 0.12 0.28 -1.00 0.00 0.00 179.01 179.63 3aek h VAL 341 N 0.72 1.04 -0.57 3.13 2.07 -1.16 -0.75 116.25 120.72 3aek h VAL 341 Ca 0.03 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.51 3aek h VAL 341 Cb 1.09 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3aek h VAL 341 CO 0.11 0.05 0.31 -0.08 0.02 0.00 0.00 177.57 177.98 3aek h GLU 342 N 0.25 0.57 -0.42 1.57 4.81 -0.81 -0.17 114.58 120.39 3aek h GLU 342 Ca 0.07 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3aek h GLU 342 Cb -0.02 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 3aek h GLU 342 CO -0.02 0.38 0.10 0.87 -0.73 0.00 0.00 179.01 179.61 3aek h LYS 343 N 0.59 0.68 -0.79 1.92 1.57 -1.17 -1.17 116.57 118.19 3aek h LYS 343 Ca 0.25 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3aek h LYS 343 Cb 0.12 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3aek h LYS 343 CO -0.15 0.69 0.35 0.00 -0.57 0.00 0.00 179.45 179.77 3aek h ALA 344 N 0.96 1.13 0.16 3.86 0.00 -0.83 -0.85 119.26 123.68 3aek h ALA 344 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3aek h ALA 344 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3aek h ALA 344 CO 0.00 0.64 -0.08 0.82 0.00 0.00 0.00 179.25 180.64 3aek h ILE 345 N 1.14 0.85 -0.79 0.00 2.04 -0.95 -2.11 117.51 117.69 3aek h ILE 345 Ca 0.27 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.16 3aek h ILE 345 Cb 0.15 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.05 3aek h ILE 345 CO -0.03 0.01 0.46 -0.33 0.00 0.00 0.00 178.15 178.26 3aek h GLU 346 N -0.23 0.78 0.00 2.37 5.08 -0.92 0.52 114.58 122.19 3aek h GLU 346 Ca -0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3aek h GLU 346 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3aek h GLU 346 CO 0.04 0.52 -0.41 0.00 -1.00 0.00 0.00 179.01 178.15 3aek h ALA 347 N 1.42 1.24 0.00 3.43 0.00 -1.12 -3.09 119.26 121.13 3aek h ALA 347 Ca 0.37 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3aek h ALA 347 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3aek h ALA 347 CO -0.21 0.51 -0.92 0.00 0.00 0.00 0.00 179.25 178.63 3aek h ALA 348 N 1.59 0.62 -6.90 0.00 0.00 -0.59 -3.49 119.26 110.49 3aek h ALA 348 Ca -0.00 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 54.08 3aek h ALA 348 Cb 0.76 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3aek h ALA 348 CO 0.05 0.28 -1.02 0.00 0.00 0.00 0.00 179.25 178.56 3aek n ALA 349 N -2.23 -2.64 -1.39 0.00 0.00 0.08 -4.93 120.51 109.41 3aek n ALA 349 Ca -0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 3aek n ALA 349 Cb 0.63 -2.48 0.12 0.00 0.00 0.00 0.00 19.45 17.73 3aek n ALA 349 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3aek s PRO 350 N -7.13 1.55 0.03 0.00 0.04 -1.26 -4.97 135.00 123.27 3aek s PRO 350 Ca 0.44 0.66 0.22 0.00 0.04 0.00 0.00 61.00 62.36 3aek s PRO 350 Cb -0.24 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3aek s PRO 350 CO 0.96 -2.00 0.94 0.39 0.04 0.00 0.00 177.00 177.33 3aek n GLU 351 N -3.69 0.29 -3.78 4.56 1.02 0.11 -4.93 120.64 114.22 3aek n GLU 351 Ca 0.07 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 3aek n GLU 351 Cb 0.56 -1.57 -0.11 0.00 -0.02 0.00 0.00 31.44 30.30 3aek n GLU 351 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3aek s LEU 352 N -3.85 0.97 -0.14 -4.62 2.96 -0.88 -4.17 118.68 108.95 3aek s LEU 352 Ca 0.03 0.49 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 3aek s LEU 352 Cb 0.15 0.95 -0.01 0.00 0.50 0.00 0.00 46.19 47.78 3aek s LEU 352 CO 0.82 -0.13 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.93 3aek s ILE 353 N -0.02 2.69 -0.28 6.68 1.01 -0.42 -1.39 121.20 129.46 3aek s ILE 353 Ca -0.02 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.81 3aek s ILE 353 Cb -0.02 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3aek s ILE 353 CO 0.01 0.53 0.04 -0.76 0.00 0.00 0.00 174.94 174.75 3aek s LEU 354 N 0.57 3.66 0.00 2.97 1.43 0.56 -1.33 118.68 126.53 3aek s LEU 354 Ca -0.10 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 3aek s LEU 354 Cb -0.16 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3aek s LEU 354 CO 0.04 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3aek n GLY 355 N 4.80 3.31 2.73 -3.19 0.00 -0.74 -0.46 105.19 111.65 3aek n GLY 355 Ca -0.15 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 3aek n GLY 355 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3aek n THR 356 N 0.00 0.00 -0.25 2.61 -2.24 -1.26 -0.69 114.28 112.45 3aek n THR 356 Ca 0.00 -1.38 0.16 0.00 -2.27 0.00 0.00 64.05 60.56 3aek n THR 356 Cb 0.00 -0.59 0.45 0.00 -2.10 0.00 0.00 70.33 68.09 3aek n THR 356 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3aek h GLN 357 N 0.00 0.52 -0.75 -0.78 5.75 -1.61 -1.44 115.11 116.80 3aek h GLN 357 Ca -0.20 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 3aek h GLN 357 Cb 0.88 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 3aek h GLN 357 CO 0.29 0.34 0.25 1.98 -2.65 0.00 0.00 178.83 179.04 3aek h MET 358 N 0.53 1.15 -0.01 1.69 4.05 -1.95 -2.74 114.93 117.65 3aek h MET 358 Ca 0.46 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.56 3aek h MET 358 Cb 0.97 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 3aek h MET 358 CO -0.20 0.97 -0.41 0.93 0.23 0.00 0.00 176.91 178.43 3aek h GLU 359 N 1.10 0.02 -0.92 0.39 3.07 -1.65 0.02 114.58 116.62 3aek h GLU 359 Ca 0.24 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 3aek h GLU 359 Cb 0.28 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.15 3aek h GLU 359 CO -0.01 0.43 0.54 -0.09 -1.40 0.00 0.00 179.01 178.47 3aek h ARG 360 N 0.02 1.25 0.13 2.33 2.43 -1.17 0.66 114.38 120.02 3aek h ARG 360 Ca -0.00 -0.12 -0.28 0.00 -0.81 0.00 0.00 59.98 58.77 3aek h ARG 360 Cb 0.73 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3aek h ARG 360 CO 0.05 0.89 -1.23 -0.91 -1.51 0.00 0.00 179.97 177.26 3aek h ASN 361 N 1.27 0.51 -0.29 -3.80 2.35 -1.14 -2.33 115.58 112.14 3aek h ASN 361 Ca 0.33 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3aek h ASN 361 Cb -0.03 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3aek h ASN 361 CO -0.06 1.39 0.18 0.40 -1.65 0.00 0.00 177.43 177.69 3aek h ILE 362 N 0.11 1.05 -0.99 2.81 2.04 -0.87 -2.61 117.51 119.05 3aek h ILE 362 Ca -0.14 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3aek h ILE 362 Cb 1.94 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.62 3aek h ILE 362 CO 0.21 0.07 0.65 0.00 0.00 0.00 0.00 178.15 179.07 3aek h ALA 363 N 1.12 1.35 -0.24 1.87 0.00 -0.88 -2.20 119.26 120.27 3aek h ALA 363 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3aek h ALA 363 Cb -0.02 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3aek h ALA 363 CO -0.04 0.57 0.11 0.87 0.00 0.00 0.00 179.25 180.76 3aek h LYS 364 N 1.27 0.35 -0.56 0.00 1.79 -1.28 0.52 116.57 118.65 3aek h LYS 364 Ca 0.39 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 3aek h LYS 364 Cb -0.03 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.53 3aek h LYS 364 CO -0.11 0.36 0.35 0.87 -1.08 0.00 0.00 179.45 179.83 3aek h LYS 365 N 0.25 0.75 -0.00 3.15 1.57 -1.23 -2.21 116.57 118.85 3aek h LYS 365 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3aek h LYS 365 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3aek h LYS 365 CO -0.01 0.52 -0.23 1.28 -0.57 0.00 0.00 179.45 180.44 3aek n LEU 366 N -4.43 0.71 -3.02 2.94 4.77 -0.85 -4.95 117.00 112.17 3aek n LEU 366 Ca 0.05 -0.09 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 3aek n LEU 366 Cb 0.07 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3aek n LEU 366 CO 0.36 0.14 0.17 0.61 -1.33 0.00 0.00 177.39 177.34 3aek n GLY 367 N 1.35 -0.26 3.43 -0.72 0.00 0.48 -5.03 105.19 104.43 3aek n GLY 367 Ca 0.12 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3aek n GLY 367 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3aek s LEU 368 N -5.98 2.50 0.42 0.99 1.43 0.15 -5.01 118.68 113.18 3aek s LEU 368 Ca 0.33 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 3aek s LEU 368 Cb -0.15 -1.47 -0.10 0.00 0.03 0.00 0.00 46.19 44.51 3aek s LEU 368 CO 0.60 0.27 1.41 -2.65 0.23 0.00 0.00 176.35 176.21 3aek n PRO 369 N 1.75 2.31 -3.75 1.29 -0.02 -1.26 -4.40 135.00 130.92 3aek n PRO 369 Ca -0.16 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 3aek n PRO 369 Cb 0.52 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 3aek n PRO 369 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3aek s ALA 371 N 0.18 1.42 -0.12 0.00 0.00 -0.44 -4.80 121.76 118.00 3aek s ALA 371 Ca -0.00 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 3aek s ALA 371 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3aek s ALA 371 CO 0.01 0.20 0.46 0.08 0.00 0.00 0.00 175.76 176.51 3aek s VAL 372 N -1.47 5.19 0.00 0.00 1.01 -1.26 -1.79 120.40 122.08 3aek s VAL 372 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3aek s VAL 372 Cb -0.09 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3aek s VAL 372 CO 0.03 0.34 0.19 2.30 0.00 0.00 0.00 175.10 177.96 3aek n ILE 373 N 3.60 0.00 -3.57 2.22 -5.35 0.13 -4.88 119.36 111.51 3aek n ILE 373 Ca -0.08 -0.40 -0.17 0.00 -0.27 0.00 0.00 62.75 61.83 3aek n ILE 373 Cb 0.52 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.44 3aek n ILE 373 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3aek s SER 374 N -0.44 -0.63 0.82 7.28 0.15 -1.20 -4.86 113.70 114.82 3aek s SER 374 Ca 0.00 0.81 -0.13 0.00 0.70 0.00 0.00 55.95 57.33 3aek s SER 374 Cb 0.00 0.71 0.09 0.00 -1.71 0.00 0.00 66.02 65.11 3aek s SER 374 CO 0.00 -0.51 1.20 0.00 1.20 0.00 0.00 173.24 175.13 3aek s ALA 375 N -0.85 1.79 0.46 5.45 0.00 -1.26 -4.22 121.76 123.13 3aek s ALA 375 Ca -0.09 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 3aek s ALA 375 Cb -0.02 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 3aek s ALA 375 CO 0.07 -2.35 1.19 -1.25 0.00 0.00 0.00 175.76 173.42 3aek s PRO 376 N -4.20 3.72 0.04 0.00 0.04 -1.26 -4.41 135.00 128.93 3aek s PRO 376 Ca 0.72 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 63.55 3aek s PRO 376 Cb -0.28 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 3aek s PRO 376 CO 0.51 -0.60 0.08 0.54 0.04 0.00 0.00 177.00 177.57 3aek s VAL 377 N -1.50 0.14 0.81 -0.36 0.11 -1.26 -1.98 120.40 116.35 3aek s VAL 377 Ca 0.64 -1.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.51 3aek s VAL 377 Cb -0.30 -0.89 0.17 0.00 -1.53 0.00 0.00 36.38 33.82 3aek s VAL 377 CO 0.37 -0.63 1.11 -1.00 -3.33 0.00 0.00 175.10 171.62 3aek s HIS 378 N -2.63 1.28 0.31 1.54 3.76 -1.26 -4.97 115.29 113.32 3aek s HIS 378 Ca -0.05 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 3aek s HIS 378 Cb -0.01 -3.30 0.62 0.00 1.11 0.00 0.00 32.58 31.00 3aek s HIS 378 CO -0.05 -2.10 1.87 -0.24 -0.85 0.00 0.00 174.74 173.37 3aek h VAL 379 N -0.89 0.95 -0.45 -0.90 3.04 -1.93 -1.70 116.25 114.37 3aek h VAL 379 Ca -0.37 -0.32 0.13 0.00 -1.01 0.00 0.00 66.70 65.13 3aek h VAL 379 Cb 1.25 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 3aek h VAL 379 CO 0.36 0.17 0.36 0.06 -1.01 0.00 0.00 177.57 177.51 3aek h GLN 380 N 0.93 0.00 -0.39 4.17 -0.00 -1.95 0.99 115.11 118.86 3aek h GLN 380 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3aek h GLN 380 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 3aek h GLN 380 CO -0.21 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 178.37 3aek n ASP 381 N -4.17 2.34 -3.80 0.06 8.00 -0.64 -3.76 116.55 114.57 3aek n ASP 381 Ca 0.08 -1.94 -0.33 0.00 0.71 0.00 0.00 54.79 53.31 3aek n ASP 381 Cb 0.56 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 3aek n ASP 381 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3aek n PHE 382 N 0.77 3.49 -2.27 1.24 3.01 0.34 -4.60 117.46 119.44 3aek n PHE 382 Ca 0.16 -3.82 -0.32 0.00 1.01 0.00 0.00 57.45 54.48 3aek n PHE 382 Cb 0.39 -0.90 -0.02 0.00 -0.01 0.00 0.00 39.48 38.94 3aek n PHE 382 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3aek s PRO 383 N -2.13 3.78 0.29 -1.08 0.04 -1.25 -4.98 135.00 129.67 3aek s PRO 383 Ca 0.33 0.99 0.05 0.00 0.04 0.00 0.00 61.00 62.40 3aek s PRO 383 Cb 0.04 -2.11 0.44 0.00 0.04 0.00 0.00 34.50 32.92 3aek s PRO 383 CO -0.04 -0.41 1.72 0.00 0.04 0.00 0.00 177.00 178.31 3aek h ALA 384 N 0.69 1.11 -2.35 8.56 0.00 -1.95 -3.46 119.26 121.87 3aek h ALA 384 Ca -0.46 -0.37 -0.50 0.00 0.00 0.00 0.00 54.91 53.57 3aek h ALA 384 Cb 1.19 -0.10 0.06 0.00 0.00 0.00 0.00 17.79 18.94 3aek h ALA 384 CO 0.61 0.56 0.35 -0.98 0.00 0.00 0.00 179.25 179.79 3aek s ARG 385 N -4.33 3.51 0.04 0.00 1.70 -1.26 -4.99 118.95 113.62 3aek s ARG 385 Ca -0.06 0.59 -0.30 0.00 -0.47 0.00 0.00 55.73 55.49 3aek s ARG 385 Cb 0.14 -2.14 -0.09 0.00 -0.57 0.00 0.00 34.95 32.29 3aek s ARG 385 CO 0.78 -0.53 1.89 -0.47 -1.08 0.00 0.00 175.30 175.89 3aek s TYR 386 N -3.10 1.55 -0.37 5.89 6.04 -1.26 -4.91 117.35 121.18 3aek s TYR 386 Ca 0.54 -0.28 0.12 0.00 0.04 0.00 0.00 57.07 57.49 3aek s TYR 386 Cb -0.11 -4.18 0.40 0.00 -1.04 0.00 0.00 41.96 37.03 3aek s TYR 386 CO 0.52 -5.17 1.10 0.00 -1.54 0.00 0.00 175.55 170.46 3aek n ALA 387 N 7.13 1.93 -1.07 3.97 0.00 -1.26 -5.09 120.51 126.11 3aek n ALA 387 Ca 0.19 -2.25 -0.31 0.00 0.00 0.00 0.00 53.44 51.07 3aek n ALA 387 Cb 0.41 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 18.99 3aek n ALA 387 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3aek s PRO 388 N -1.36 1.68 -0.07 0.00 0.04 -1.26 -4.86 135.00 129.17 3aek s PRO 388 Ca 0.26 1.22 0.17 0.00 0.04 0.00 0.00 61.00 62.68 3aek s PRO 388 Cb 0.40 -1.83 -0.25 0.00 0.04 0.00 0.00 34.50 32.87 3aek s PRO 388 CO -0.03 -2.06 0.29 1.04 0.04 0.00 0.00 177.00 176.27 3aek n GLN 389 N -3.81 0.78 -2.51 4.56 1.13 -1.26 -4.22 117.38 112.04 3aek n GLN 389 Ca 0.09 -0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.75 3aek n GLN 389 Cb 0.53 -1.42 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 3aek n GLN 389 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3aek s MET 390 N -2.97 3.61 2.30 -1.09 -1.94 -1.26 -4.18 119.30 113.77 3aek s MET 390 Ca -0.07 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.30 3aek s MET 390 Cb 0.09 -2.31 0.00 0.00 2.01 0.00 0.00 34.83 34.62 3aek s MET 390 CO 0.71 -0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.88 3aek n GLY 391 N -2.16 -0.42 0.22 -0.03 0.00 -0.13 -1.62 105.19 101.04 3aek n GLY 391 Ca 0.02 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.81 3aek n GLY 391 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3aek h PHE 392 N 0.00 1.02 -0.30 1.61 0.04 -1.91 -1.97 116.94 115.43 3aek h PHE 392 Ca 0.00 -0.45 -0.09 0.00 2.80 0.00 0.00 57.97 60.23 3aek h PHE 392 Cb 0.00 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 3aek h PHE 392 CO 0.00 1.27 -0.21 1.49 -0.60 0.00 0.00 178.31 180.27 3aek h GLU 393 N 0.48 0.56 -0.77 1.51 4.57 -1.89 -2.79 114.58 116.25 3aek h GLU 393 Ca -0.05 -0.20 0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3aek h GLU 393 Cb 1.35 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.83 3aek h GLU 393 CO 0.15 0.73 0.43 0.78 -1.18 0.00 0.00 179.01 179.92 3aek h GLY 394 N 0.99 1.17 1.02 1.92 0.00 -1.12 -0.41 103.07 106.65 3aek h GLY 394 Ca 0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3aek h GLY 394 CO 0.05 0.13 0.30 0.00 0.00 0.00 0.00 176.54 177.01 3aek h ALA 395 N 1.43 0.93 0.04 3.60 0.00 -1.16 0.59 119.26 124.69 3aek h ALA 395 Ca 0.37 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3aek h ALA 395 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3aek h ALA 395 CO -0.24 0.54 -0.11 -0.91 0.00 0.00 0.00 179.25 178.54 3aek h ASN 396 N 1.03 -0.31 -0.67 0.00 2.35 -1.20 -1.56 115.58 115.22 3aek h ASN 396 Ca 0.24 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3aek h ASN 396 Cb 0.19 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 3aek h ASN 396 CO -0.02 -0.16 0.43 0.58 -1.65 0.00 0.00 177.43 176.60 3aek h VAL 397 N -0.21 1.13 -0.10 2.81 2.07 -0.81 -2.41 116.25 118.74 3aek h VAL 397 Ca 0.03 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.14 3aek h VAL 397 Cb 0.24 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 3aek h VAL 397 CO -0.08 0.16 -0.46 -0.07 0.02 0.00 0.00 177.57 177.14 3aek h LEU 398 N 0.86 0.25 -0.04 2.57 3.38 -0.81 -1.03 115.31 120.48 3aek h LEU 398 Ca 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3aek h LEU 398 Cb -0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3aek h LEU 398 CO -0.08 0.68 -0.02 0.15 0.09 0.00 0.00 178.44 179.26 3aek h PHE 399 N 0.19 0.10 -0.65 1.13 3.57 -0.99 -2.34 116.94 117.96 3aek h PHE 399 Ca 0.01 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3aek h PHE 399 Cb 0.89 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3aek h PHE 399 CO 0.02 0.48 0.43 -0.44 -2.23 0.00 0.00 178.31 176.56 3aek h ASP 400 N -0.30 0.74 -0.45 0.41 3.32 -1.34 -2.79 116.42 116.01 3aek h ASP 400 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3aek h ASP 400 Cb 0.45 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3aek h ASP 400 CO 0.01 0.53 0.20 0.74 -1.72 0.00 0.00 179.24 179.00 3aek h THR 401 N 0.87 1.19 0.00 0.35 2.02 -1.19 -2.39 112.91 113.77 3aek h THR 401 Ca 0.24 -0.57 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 3aek h THR 401 Cb -0.09 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3aek h THR 401 CO -0.06 0.21 -0.75 -0.50 0.37 0.00 0.00 175.52 174.80 3aek h TRP 402 N 0.59 0.00 0.00 3.16 4.06 -1.40 -3.30 115.95 119.05 3aek h TRP 402 Ca 0.15 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.91 3aek h TRP 402 Cb 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.28 3aek h TRP 402 CO -0.00 0.68 -1.09 0.28 -3.56 0.00 0.00 178.44 174.74 3aek h VAL 403 N 0.00 1.18 -0.34 1.49 2.07 -1.47 -3.39 116.25 115.80 3aek h VAL 403 Ca -0.02 -2.82 0.07 0.00 0.82 0.00 0.00 66.70 64.75 3aek h VAL 403 Cb 1.54 2.56 -0.08 0.00 -1.52 0.00 0.00 31.29 33.78 3aek h VAL 403 CO 0.09 0.67 -0.23 -0.74 0.02 0.00 0.00 177.57 177.38 3aek h HIS 404 N 0.00 -0.60 0.00 1.57 6.17 -1.51 -2.05 115.15 118.73 3aek h HIS 404 Ca -0.09 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.04 3aek h HIS 404 Cb 1.71 0.32 0.00 0.00 2.52 0.00 0.00 27.41 31.96 3aek h HIS 404 CO 0.00 -0.31 0.00 -1.00 0.71 0.00 0.00 177.93 177.33 3aek h PRO 405 N -0.19 0.00 -6.49 5.26 0.13 -1.77 -3.44 132.00 125.50 3aek h PRO 405 Ca 0.17 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.77 3aek h PRO 405 Cb 0.45 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.56 3aek h PRO 405 CO -0.45 0.00 0.33 -0.51 -0.23 0.00 0.00 178.00 177.14 3aek s LEU 406 N -5.90 4.46 0.28 1.56 1.43 -0.77 -4.76 118.68 114.99 3aek s LEU 406 Ca -0.01 1.71 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 3aek s LEU 406 Cb 0.10 -3.53 -0.12 0.00 0.03 0.00 0.00 46.19 42.67 3aek s LEU 406 CO 0.45 -0.10 1.61 0.52 0.23 0.00 0.00 176.35 179.07 3aek n VAL 407 N 3.03 0.92 -1.57 -1.59 0.31 -1.26 -4.98 118.33 113.19 3aek n VAL 407 Ca 0.02 -0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 63.83 3aek n VAL 407 Cb 0.50 -1.97 0.09 0.00 -0.91 0.00 0.00 33.84 31.54 3aek n VAL 407 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3aek s MET 408 N -0.33 2.12 0.20 5.55 1.75 -1.26 -4.79 119.30 122.54 3aek s MET 408 Ca 0.65 0.63 -0.14 0.00 -1.25 0.00 0.00 55.69 55.58 3aek s MET 408 Cb -0.50 -1.92 0.21 0.00 2.84 0.00 0.00 34.83 35.46 3aek s MET 408 CO 0.47 -1.59 1.64 0.78 -0.65 0.00 0.00 175.02 175.66 3aek h GLY 409 N -1.07 0.44 0.91 2.11 0.00 -1.93 -1.23 103.07 102.30 3aek h GLY 409 Ca -0.47 0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3aek h GLY 409 CO 0.60 -0.22 -0.27 -2.00 0.00 0.00 0.00 176.54 174.65 3aek h LEU 410 N 0.01 -0.63 -1.11 3.11 6.46 -1.98 -2.12 115.31 119.04 3aek h LEU 410 Ca 0.28 -0.02 0.17 0.00 -0.12 0.00 0.00 57.88 58.20 3aek h LEU 410 Cb 0.43 0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 40.43 3aek h LEU 410 CO -0.59 -0.38 0.61 -0.08 -0.62 0.00 0.00 178.44 177.38 3aek h GLU 411 N -0.85 0.74 -0.70 1.25 4.81 -1.91 0.24 114.58 118.16 3aek h GLU 411 Ca -0.08 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3aek h GLU 411 Cb 0.61 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 3aek h GLU 411 CO 0.13 0.49 0.41 0.93 -0.73 0.00 0.00 179.01 180.23 3aek h GLU 412 N 0.76 0.73 0.00 1.92 5.08 -0.98 -2.47 114.58 119.62 3aek h GLU 412 Ca 0.53 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3aek h GLU 412 Cb 0.83 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3aek h GLU 412 CO -0.31 0.48 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 3aek n HIS 413 N -4.74 0.44 0.53 4.33 8.25 0.03 -2.45 115.22 121.61 3aek n HIS 413 Ca 0.09 0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 3aek n HIS 413 Cb 0.16 -0.77 0.11 0.00 1.12 0.00 0.00 29.99 30.61 3aek n HIS 413 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3aek n LEU 414 N -1.89 0.68 -0.15 2.41 4.77 -0.93 -4.10 117.00 117.78 3aek n LEU 414 Ca 0.03 0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 56.11 3aek n LEU 414 Cb 0.23 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3aek n LEU 414 CO 0.19 -0.03 0.49 -0.07 -1.33 0.00 0.00 177.39 176.64 3aek h LEU 415 N 0.00 -1.01 0.00 2.23 4.07 -1.37 -3.30 115.31 115.93 3aek h LEU 415 Ca 0.00 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.11 3aek h LEU 415 Cb 0.76 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3aek h LEU 415 CO 0.00 -0.15 0.00 0.41 -1.08 0.00 0.00 178.44 177.62 3aek n THR 416 N -4.07 0.00 0.00 0.22 -1.04 -1.26 -4.52 114.28 103.61 3aek n THR 416 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3aek n THR 416 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 3aek n THR 416 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3aek n MET 417 N 0.00 3.17 0.00 -2.82 0.00 -1.26 -5.14 117.12 111.07 3aek n MET 417 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.70 57.77 3aek n MET 417 Cb 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 33.22 32.92 3aek n MET 417 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16