#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 1.97 -0.02 0.03 -0.14 -1.26 -5.11 119.74 115.22 3aek s LYS 2 Ca 0.00 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 3aek s LYS 2 Cb 0.00 -1.88 -0.07 0.00 -1.68 0.00 0.00 37.83 34.21 3aek s LYS 2 CO 0.00 -0.24 1.73 -1.17 -0.76 0.00 0.00 175.35 174.91 3aek s LEU 3 N 1.56 4.36 -0.06 3.17 0.20 -1.26 -4.98 118.68 121.67 3aek s LEU 3 Ca 0.05 2.37 0.01 0.00 0.69 0.00 0.00 54.13 57.25 3aek s LEU 3 Cb -0.13 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 42.11 3aek s LEU 3 CO -0.09 -0.95 -0.08 -0.89 -0.29 0.00 0.00 176.35 174.04 3aek s THR 4 N 3.95 0.84 -0.07 3.68 2.01 -1.26 -5.01 115.64 119.79 3aek s THR 4 Ca 0.77 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 3aek s THR 4 Cb -0.36 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 3aek s THR 4 CO 0.33 0.30 -0.14 -0.11 -0.69 0.00 0.00 174.62 174.30 3aek n LEU 5 N 4.02 1.08 -4.55 4.42 7.94 -1.26 -5.04 117.00 123.62 3aek n LEU 5 Ca -0.23 0.17 -0.33 0.00 -1.11 0.00 0.00 56.01 54.51 3aek n LEU 5 Cb 0.51 -0.41 -0.12 0.00 0.53 0.00 0.00 43.42 43.94 3aek n LEU 5 CO 0.23 -0.13 -0.41 0.86 -1.11 0.00 0.00 177.39 176.84 3aek s TRP 6 N -2.28 2.84 -0.08 1.96 -0.11 -1.26 -5.11 118.94 114.91 3aek s TRP 6 Ca -0.14 -0.05 0.02 0.00 1.22 0.00 0.00 56.10 57.16 3aek s TRP 6 Cb 0.04 -1.66 0.01 0.00 -1.50 0.00 0.00 33.47 30.36 3aek s TRP 6 CO 0.18 0.29 -0.14 -0.08 -4.62 0.00 0.00 176.95 172.58 3aek s THR 7 N -0.82 1.34 0.22 5.86 -1.32 -1.26 -4.80 115.64 114.86 3aek s THR 7 Ca 0.13 -0.59 -0.03 0.00 -1.21 0.00 0.00 61.69 59.99 3aek s THR 7 Cb -0.11 -1.22 0.02 0.00 -1.51 0.00 0.00 72.50 69.69 3aek s THR 7 CO 0.02 0.40 1.62 1.88 -2.21 0.00 0.00 174.62 176.34 3aek h TYR 8 N 7.05 0.79 -4.03 9.09 -1.99 -1.98 -3.45 116.97 122.45 3aek h TYR 8 Ca -0.29 -0.19 -0.69 0.00 2.00 0.00 0.00 58.73 59.56 3aek h TYR 8 Cb 1.19 -0.18 -0.23 0.00 2.00 0.00 0.00 36.73 39.51 3aek h TYR 8 CO 0.48 0.90 -0.87 -1.21 -0.00 0.00 0.00 178.16 177.46 3aek s GLU 9 N -4.48 1.53 0.11 4.88 2.02 -1.26 -4.37 118.70 117.13 3aek s GLU 9 Ca -0.09 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.61 3aek s GLU 9 Cb 0.13 -1.93 0.02 0.00 0.10 0.00 0.00 34.13 32.45 3aek s GLU 9 CO 0.83 0.47 0.14 0.41 0.02 0.00 0.00 175.26 177.13 3aek n GLY 10 N 1.18 -1.11 3.77 -1.39 0.00 -1.26 -4.77 105.19 101.61 3aek n GLY 10 Ca -0.18 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.29 2.31 0.61 1.61 0.04 -1.26 -0.84 135.00 134.17 3aek s PRO 11 Ca 0.08 1.14 0.32 0.00 0.04 0.00 0.00 61.00 62.58 3aek s PRO 11 Cb -0.00 -1.90 1.86 0.00 0.04 0.00 0.00 34.50 34.50 3aek s PRO 11 CO 0.06 -1.60 2.21 -1.00 0.04 0.00 0.00 177.00 176.70 3aek h PRO 12 N -1.10 0.00 0.00 0.56 0.13 -1.76 -2.33 132.00 127.51 3aek h PRO 12 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3aek h PRO 12 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3aek h PRO 12 CO 0.52 0.00 -0.04 1.12 -0.23 0.00 0.00 178.00 179.37 3aek h HIS 13 N 0.00 0.00 -0.10 1.56 2.07 -1.89 -1.72 115.15 115.07 3aek h HIS 13 Ca 0.03 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.34 3aek h HIS 13 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.18 3aek h HIS 13 CO 0.00 0.04 -0.78 0.28 -3.07 0.00 0.00 177.93 174.40 3aek h VAL 14 N 0.00 1.33 -0.86 6.12 2.07 -1.76 -1.81 116.25 121.35 3aek h VAL 14 Ca -0.00 -2.09 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 3aek h VAL 14 Cb 0.41 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3aek h VAL 14 CO 0.01 0.64 0.50 1.23 0.02 0.00 0.00 177.57 179.97 3aek h GLY 15 N 0.94 1.25 0.94 2.17 0.00 -1.42 -1.01 103.07 105.94 3aek h GLY 15 Ca -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.76 3aek h GLY 15 CO 0.15 0.52 0.20 0.00 0.00 0.00 0.00 176.54 177.41 3aek h ALA 16 N 1.27 0.42 -0.63 3.60 0.00 -1.30 -2.48 119.26 120.14 3aek h ALA 16 Ca 0.31 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.27 3aek h ALA 16 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3aek h ALA 16 CO -0.05 -0.15 0.42 0.52 0.00 0.00 0.00 179.25 179.99 3aek h MET 17 N 0.41 0.60 0.00 0.00 2.86 -0.93 -1.54 114.93 116.33 3aek h MET 17 Ca 0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3aek h MET 17 Cb -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3aek h MET 17 CO -0.06 0.39 -0.25 2.89 1.06 0.00 0.00 176.91 180.95 3aek n ARG 18 N -4.48 0.05 0.01 1.72 1.85 -0.42 -1.16 116.66 114.24 3aek n ARG 18 Ca 0.09 0.02 -0.18 0.00 -1.00 0.00 0.00 57.85 56.79 3aek n ARG 18 Cb 0.25 -1.54 -0.13 0.00 -1.05 0.00 0.00 32.46 29.98 3aek n ARG 18 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3aek h VAL 19 N 0.00 1.53 -0.42 8.89 2.07 -0.99 -2.16 116.25 125.17 3aek h VAL 19 Ca 0.00 -2.31 -0.03 0.00 0.82 0.00 0.00 66.70 65.17 3aek h VAL 19 Cb 0.54 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.31 3aek h VAL 19 CO 0.00 0.65 0.14 0.00 0.02 0.00 0.00 177.57 178.38 3aek h ALA 20 N 0.16 0.55 0.00 1.67 0.00 -1.24 -2.40 119.26 118.00 3aek h ALA 20 Ca -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3aek h ALA 20 Cb 1.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3aek h ALA 20 CO 0.11 0.19 -0.28 1.15 0.00 0.00 0.00 179.25 180.42 3aek h THR 21 N 0.54 0.80 -0.24 0.00 2.02 -1.30 -2.62 112.91 112.10 3aek h THR 21 Ca 0.14 -1.17 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 3aek h THR 21 Cb 0.24 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3aek h THR 21 CO -0.01 0.28 -0.35 0.00 0.37 0.00 0.00 175.52 175.81 3aek h ALA 22 N 1.72 0.94 -2.30 6.16 0.00 -1.26 -3.45 119.26 121.06 3aek h ALA 22 Ca -0.00 -0.41 -0.48 0.00 0.00 0.00 0.00 54.91 54.02 3aek h ALA 22 Cb 0.70 -0.11 0.05 0.00 0.00 0.00 0.00 17.79 18.43 3aek h ALA 22 CO 0.04 0.62 0.19 -1.64 0.00 0.00 0.00 179.25 178.46 3aek s MET 23 N -4.33 3.13 0.17 0.00 -1.94 -0.94 -0.87 119.30 114.52 3aek s MET 23 Ca -0.07 0.13 0.07 0.00 -1.71 0.00 0.00 55.69 54.11 3aek s MET 23 Cb 0.13 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 3aek s MET 23 CO 0.81 -0.58 0.05 -1.59 -0.01 0.00 0.00 175.02 173.70 3aek s LYS 24 N -4.96 2.58 -1.92 2.03 -2.85 -0.30 -4.73 119.74 109.59 3aek s LYS 24 Ca 0.53 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 3aek s LYS 24 Cb -0.11 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 33.21 3aek s LYS 24 CO 0.46 0.46 0.00 -0.25 0.10 0.00 0.00 175.35 176.12 3aek n ASP 25 N -0.24 -5.84 -4.08 0.03 8.00 -1.26 -4.12 116.55 109.05 3aek n ASP 25 Ca -0.09 0.13 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 3aek n ASP 25 Cb 0.55 -4.94 -0.16 0.00 -0.02 0.00 0.00 41.12 36.55 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 -5.69 1.79 -0.19 0.64 0.20 -1.26 -1.03 118.68 113.14 3aek s LEU 26 Ca 0.00 -0.34 -0.05 0.00 0.69 0.00 0.00 54.13 54.43 3aek s LEU 26 Cb 0.00 -0.91 -0.03 0.00 -0.43 0.00 0.00 46.19 44.82 3aek s LEU 26 CO 0.00 0.09 0.01 -1.10 -0.29 0.00 0.00 176.35 175.06 3aek s GLN 27 N 0.40 3.72 -0.17 1.98 -1.52 -1.14 -4.78 119.66 118.16 3aek s GLN 27 Ca -0.11 -0.47 -0.08 0.00 -1.95 0.00 0.00 55.36 52.75 3aek s GLN 27 Cb -0.14 -3.09 -0.04 0.00 -0.22 0.00 0.00 33.01 29.52 3aek s GLN 27 CO 0.04 0.12 0.10 -1.17 -0.25 0.00 0.00 175.29 174.12 3aek s LEU 28 N 0.74 4.06 -0.20 2.90 2.96 -0.21 -1.12 118.68 127.81 3aek s LEU 28 Ca 0.01 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.13 3aek s LEU 28 Cb -0.14 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.54 3aek s LEU 28 CO 0.02 0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.47 3aek s VAL 29 N -0.03 2.64 -0.20 1.68 1.01 0.43 -1.78 120.40 124.15 3aek s VAL 29 Ca 0.08 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3aek s VAL 29 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3aek s VAL 29 CO 0.00 0.49 0.06 -0.76 0.00 0.00 0.00 175.10 174.90 3aek s LEU 30 N 1.36 3.71 -0.50 3.92 1.43 0.40 -1.84 118.68 127.16 3aek s LEU 30 Ca 0.05 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 3aek s LEU 30 Cb -0.14 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.16 3aek s LEU 30 CO -0.09 0.12 1.26 -2.28 0.23 0.00 0.00 176.35 175.60 3aek s HIS 31 N 0.68 2.57 0.17 0.29 5.65 -0.08 -1.22 115.29 123.36 3aek s HIS 31 Ca 0.03 0.59 -0.23 0.00 0.25 0.00 0.00 55.06 55.70 3aek s HIS 31 Cb -0.13 -4.43 0.06 0.00 -1.18 0.00 0.00 32.58 26.90 3aek s HIS 31 CO 0.02 -1.64 0.67 0.20 -0.65 0.00 0.00 174.74 173.34 3aek s GLY 32 N 3.27 -0.48 0.64 1.59 0.00 -1.26 -1.41 107.32 109.67 3aek s GLY 32 Ca 0.50 0.36 -0.13 0.00 0.00 0.00 0.00 44.72 45.46 3aek s GLY 32 CO 0.29 0.12 1.05 2.56 0.00 0.00 0.00 173.10 177.12 3aek s PRO 33 N -3.71 3.24 0.18 2.90 0.04 -1.26 -1.22 135.00 135.18 3aek s PRO 33 Ca 0.04 0.98 -0.33 0.00 0.04 0.00 0.00 61.00 61.73 3aek s PRO 33 Cb -0.02 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 3aek s PRO 33 CO -0.08 -0.86 1.58 0.94 0.04 0.00 0.00 177.00 178.62 3aek n GLN 34 N -2.64 2.24 0.00 4.56 7.27 -0.92 -2.73 117.38 125.16 3aek n GLN 34 Ca 0.07 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.95 3aek n GLN 34 Cb 0.53 -2.57 0.00 0.00 2.41 0.00 0.00 30.24 30.61 3aek n GLN 34 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3aek n GLY 35 N 3.30 0.83 0.00 1.69 0.00 -1.26 -4.95 105.19 104.80 3aek n GLY 35 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.00 0.00 1.61 8.00 -1.10 -2.64 116.55 122.41 3aek n ASP 36 Ca 0.00 -0.02 0.04 0.00 0.71 0.00 0.00 54.79 55.52 3aek n ASP 36 Cb 0.00 -0.30 0.19 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.30 1.37 -0.27 -3.53 -2.24 -1.26 -2.97 114.28 104.08 3aek n THR 37 Ca 0.11 0.34 0.32 0.00 -2.27 0.00 0.00 64.05 62.55 3aek n THR 37 Cb 0.20 -1.19 0.72 0.00 -2.10 0.00 0.00 70.33 67.96 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 0.06 0.00 4.78 -0.00 -1.94 -0.17 116.97 119.70 3aek h TYR 38 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.69 3aek h TYR 38 Cb 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 36.85 3aek h TYR 38 CO 0.00 0.01 -0.18 0.00 -0.00 0.00 0.00 178.16 177.99 3aek h ALA 39 N 1.48 1.14 -0.49 0.10 0.00 -1.84 -2.60 119.26 117.04 3aek h ALA 39 Ca 0.52 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.37 3aek h ALA 39 Cb 2.01 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 3aek h ALA 39 CO -0.03 0.23 0.34 -0.44 0.00 0.00 0.00 179.25 179.34 3aek h ASP 40 N 0.00 0.18 0.44 0.00 3.32 -1.28 -2.33 116.42 116.75 3aek h ASP 40 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3aek h ASP 40 Cb 0.55 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3aek h ASP 40 CO 0.02 0.11 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.29 3aek h LEU 41 N 0.20 0.00 -0.65 1.55 4.07 -1.62 -2.15 115.31 116.71 3aek h LEU 41 Ca 0.23 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.31 3aek h LEU 41 Cb 0.64 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.29 3aek h LEU 41 CO -0.04 0.29 0.18 -0.07 -1.08 0.00 0.00 178.44 177.72 3aek h LEU 42 N 0.00 0.08 0.05 1.67 4.07 -1.58 0.76 115.31 120.36 3aek h LEU 42 Ca -0.00 0.11 -0.10 0.00 0.08 0.00 0.00 57.88 57.97 3aek h LEU 42 Cb 0.59 0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.47 3aek h LEU 42 CO 0.04 0.04 -0.41 -0.26 -1.08 0.00 0.00 178.44 176.77 3aek h PHE 43 N 0.31 0.31 0.00 1.13 0.04 -1.54 -2.16 116.94 115.04 3aek h PHE 43 Ca 0.35 -0.21 -0.11 0.00 2.80 0.00 0.00 57.97 60.80 3aek h PHE 43 Cb 0.52 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3aek h PHE 43 CO -0.23 1.10 -0.50 1.79 -0.60 0.00 0.00 178.31 179.87 3aek h THR 44 N -0.56 1.16 0.00 -1.55 1.35 -1.42 -1.35 112.91 110.54 3aek h THR 44 Ca -0.06 -1.86 -0.37 0.00 -0.55 0.00 0.00 66.41 63.57 3aek h THR 44 Cb 1.25 2.06 -0.06 0.00 -1.73 0.00 0.00 68.15 69.68 3aek h THR 44 CO 0.08 0.49 -2.24 0.23 -0.25 0.00 0.00 175.52 173.83 3aek n MET 45 N -3.65 0.48 -0.06 4.72 2.81 0.25 -3.60 117.12 118.08 3aek n MET 45 Ca -0.01 0.20 -0.14 0.00 -1.81 0.00 0.00 57.70 55.94 3aek n MET 45 Cb 0.57 -1.31 -0.12 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.69 1.71 0.00 2.02 2.04 -1.43 -3.25 117.51 117.91 3aek h ILE 46 Ca -0.55 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.17 3aek h ILE 46 Cb 1.53 3.16 0.00 0.00 -0.74 0.00 0.00 36.82 40.77 3aek h ILE 46 CO -0.31 0.56 -0.24 1.21 0.00 0.00 0.00 178.15 179.37 3aek n GLU 47 N -4.64 0.05 -4.25 2.37 2.13 -1.09 -4.65 120.64 110.56 3aek n GLU 47 Ca -0.10 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.45 3aek n GLU 47 Cb 0.45 -1.54 -0.08 0.00 0.27 0.00 0.00 31.44 30.54 3aek n GLU 47 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 3aek n ARG 48 N -1.62 -1.44 -1.91 5.31 1.85 -0.72 -4.96 116.66 113.17 3aek n ARG 48 Ca 0.06 0.16 -0.38 0.00 -1.00 0.00 0.00 57.85 56.69 3aek n ARG 48 Cb 0.35 -3.81 0.03 0.00 -1.05 0.00 0.00 32.46 27.98 3aek n ARG 48 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3aek s ARG 49 N -7.21 3.32 -0.02 2.89 0.52 -0.59 -4.94 118.95 112.92 3aek s ARG 49 Ca 0.02 2.11 0.16 0.00 -0.52 0.00 0.00 55.73 57.50 3aek s ARG 49 Cb -0.01 -2.30 0.50 0.00 0.52 0.00 0.00 34.95 33.66 3aek s ARG 49 CO 0.98 -1.01 1.41 0.27 0.02 0.00 0.00 175.30 176.97 3aek n ASN 50 N -0.87 3.12 -3.92 0.23 6.94 -1.26 -4.58 115.26 114.92 3aek n ASN 50 Ca 0.09 -2.07 -0.10 0.00 -0.02 0.00 0.00 54.58 52.48 3aek n ASN 50 Cb 0.46 -0.40 -0.10 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.37 -0.12 0.28 -2.53 0.00 -1.26 -5.13 121.76 111.63 3aek s ALA 51 Ca 0.37 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 3aek s ALA 51 Cb 0.20 0.19 -0.12 0.00 0.00 0.00 0.00 23.12 23.39 3aek s ALA 51 CO 0.24 -0.26 1.62 0.54 0.00 0.00 0.00 175.76 177.90 3aek n ARG 52 N 1.13 2.72 -1.62 0.00 1.74 -1.26 -4.84 116.66 114.52 3aek n ARG 52 Ca -0.21 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 3aek n ARG 52 Cb 0.57 -2.76 0.01 0.00 -1.02 0.00 0.00 32.46 29.26 3aek n ARG 52 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3aek n PRO 53 N 2.41 1.43 -1.13 5.56 -0.02 -1.26 -4.81 135.00 137.18 3aek n PRO 53 Ca 0.10 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 3aek n PRO 53 Cb 0.36 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.21 3.14 -3.82 0.52 -0.04 -1.26 -4.78 135.00 128.96 3aek n PRO 54 Ca 0.09 -1.91 -0.13 0.00 -0.04 0.00 0.00 63.50 61.51 3aek n PRO 54 Cb 0.38 -2.65 -0.15 0.00 -0.04 0.00 0.00 33.50 31.05 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 2.44 -0.03 0.05 0.52 1.01 -1.26 -1.04 120.40 122.10 3aek s VAL 55 Ca 0.61 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3aek s VAL 55 Cb 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.47 3aek s VAL 55 CO -0.05 0.04 -0.08 -0.94 0.00 0.00 0.00 175.10 174.08 3aek s SER 56 N 0.50 0.89 -0.02 3.32 1.04 -0.73 -4.99 113.70 113.71 3aek s SER 56 Ca -0.04 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.79 3aek s SER 56 Cb -0.06 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3aek s SER 56 CO -0.01 -0.24 -0.04 -0.36 0.98 0.00 0.00 173.24 173.56 3aek s PHE 57 N -1.70 2.98 0.55 5.02 0.40 -1.26 -0.46 117.98 123.52 3aek s PHE 57 Ca -0.07 0.03 0.29 0.00 -0.60 0.00 0.00 56.93 56.58 3aek s PHE 57 Cb -0.08 -1.66 1.73 0.00 0.51 0.00 0.00 43.02 43.52 3aek s PHE 57 CO -0.00 0.40 2.21 0.66 0.70 0.00 0.00 175.22 179.19 3aek h SER 58 N 4.66 0.00 -4.43 1.36 4.64 -1.33 -3.47 113.55 114.98 3aek h SER 58 Ca -0.49 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.58 3aek h SER 58 Cb 1.17 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.37 3aek h SER 58 CO 0.55 0.03 -0.50 0.41 -0.87 0.00 0.00 176.83 176.45 3aek n THR 59 N -3.80 -3.07 -2.38 2.95 -1.04 -0.36 -4.76 114.28 101.83 3aek n THR 59 Ca -0.03 -0.17 -0.36 0.00 -2.04 0.00 0.00 64.05 61.46 3aek n THR 59 Cb 0.12 -3.71 -0.02 0.00 -1.82 0.00 0.00 70.33 64.90 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 -3.23 2.95 0.34 -1.42 -0.71 -0.93 -4.39 117.98 110.59 3aek s PHE 60 Ca 0.21 1.57 -0.06 0.00 -1.04 0.00 0.00 56.93 57.61 3aek s PHE 60 Cb -0.09 -3.24 0.01 0.00 -1.21 0.00 0.00 43.02 38.49 3aek s PHE 60 CO 0.50 -1.18 0.53 -1.83 -1.34 0.00 0.00 175.22 171.91 3aek s GLU 61 N -2.87 1.93 0.45 1.99 4.04 -1.26 -2.18 118.70 120.79 3aek s GLU 61 Ca 0.65 -1.65 0.26 0.00 0.04 0.00 0.00 54.97 54.27 3aek s GLU 61 Cb -0.24 0.48 1.29 0.00 0.02 0.00 0.00 34.13 35.68 3aek s GLU 61 CO 0.28 -0.82 1.75 0.00 -1.84 0.00 0.00 175.26 174.63 3aek h ALA 62 N 2.11 2.59 -0.00 -0.84 0.00 -2.01 0.19 119.26 121.30 3aek h ALA 62 Ca -0.29 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3aek h ALA 62 Cb 1.24 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3aek h ALA 62 CO 0.39 -1.02 -0.32 -1.13 0.00 0.00 0.00 179.25 177.17 3aek n SER 63 N -4.51 0.34 -3.09 0.00 3.41 -1.26 -4.16 113.62 104.35 3aek n SER 63 Ca 0.28 -0.02 -0.22 0.00 -0.26 0.00 0.00 58.87 58.65 3aek n SER 63 Cb 1.10 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 65.00 3aek n SER 63 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3aek n HIS 64 N -1.47 1.89 -3.35 7.33 8.25 0.05 -5.08 115.22 122.84 3aek n HIS 64 Ca 0.06 -3.90 -0.09 0.00 -0.26 0.00 0.00 57.72 53.53 3aek n HIS 64 Cb 0.34 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 31.01 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 0.11 1.01 0.00 -0.41 2.81 -1.22 -3.87 117.12 115.55 3aek n MET 65 Ca 0.28 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.83 3aek n MET 65 Cb 0.54 0.03 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 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 2.24 2.56 0.22 3.03 0.00 -1.26 -2.99 105.19 108.98 3aek n GLY 66 Ca 0.03 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 45.89 3aek n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3aek h THR 67 N 0.00 0.00 -0.11 2.61 1.35 -2.03 -3.15 112.91 111.58 3aek h THR 67 Ca 0.00 -0.58 -0.10 0.00 -0.55 0.00 0.00 66.41 65.19 3aek h THR 67 Cb 0.00 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 3aek h THR 67 CO 0.00 0.00 -0.37 0.44 -0.25 0.00 0.00 175.52 175.34 3aek h ASP 68 N 0.00 0.23 -0.93 5.36 3.45 -1.81 -3.28 116.42 119.45 3aek h ASP 68 Ca 0.00 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.43 3aek h ASP 68 Cb 0.63 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.28 3aek h ASP 68 CO 0.00 0.59 0.59 0.71 -1.57 0.00 0.00 179.24 179.56 3aek h THR 69 N 0.19 1.09 -0.48 0.35 1.35 -1.65 0.56 112.91 114.32 3aek h THR 69 Ca 0.02 -0.38 -0.10 0.00 -0.55 0.00 0.00 66.41 65.41 3aek h THR 69 Cb 0.75 -0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 3aek h THR 69 CO 0.06 0.20 -0.09 0.00 -0.25 0.00 0.00 175.52 175.44 3aek h ALA 70 N 1.41 0.93 -0.17 6.62 0.00 -1.77 -2.40 119.26 123.88 3aek h ALA 70 Ca 0.39 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3aek h ALA 70 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3aek h ALA 70 CO -0.16 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.57 3aek h ILE 71 N 0.79 1.22 -0.90 0.00 2.04 -1.44 -2.15 117.51 117.07 3aek h ILE 71 Ca 0.13 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.37 3aek h ILE 71 Cb 0.60 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3aek h ILE 71 CO 0.04 0.22 0.58 -0.07 0.00 0.00 0.00 178.15 178.92 3aek h LEU 72 N 0.07 0.81 -0.15 1.44 3.38 -0.82 0.54 115.31 120.58 3aek h LEU 72 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3aek h LEU 72 Cb 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3aek h LEU 72 CO 0.00 0.48 0.00 0.25 0.09 0.00 0.00 178.44 179.26 3aek h LEU 73 N 0.90 0.26 -0.21 1.67 5.85 -1.34 -1.17 115.31 121.28 3aek h LEU 73 Ca 0.41 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3aek h LEU 73 Cb 0.40 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3aek h LEU 73 CO -0.18 0.51 -0.17 0.50 -0.34 0.00 0.00 178.44 178.76 3aek h LYS 74 N 0.01 -0.17 -0.50 1.25 3.64 -0.68 -1.40 116.57 118.74 3aek h LYS 74 Ca 0.04 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3aek h LYS 74 Cb 0.37 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 3aek h LYS 74 CO 0.01 -0.11 0.29 -0.44 -2.27 0.00 0.00 179.45 176.93 3aek h ASP 75 N -0.17 0.46 -0.57 4.20 3.32 -0.90 -1.04 116.42 121.72 3aek h ASP 75 Ca 0.12 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3aek h ASP 75 Cb 0.36 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3aek h ASP 75 CO -0.31 0.33 0.33 0.00 -1.72 0.00 0.00 179.24 177.87 3aek h ALA 76 N 1.23 0.74 -0.24 3.45 0.00 -0.86 0.27 119.26 123.85 3aek h ALA 76 Ca 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3aek h ALA 76 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3aek h ALA 76 CO -0.10 0.04 0.08 -0.07 0.00 0.00 0.00 179.25 179.20 3aek h LEU 77 N 0.65 0.34 -0.08 0.00 3.38 -0.99 -2.01 115.31 116.60 3aek h LEU 77 Ca 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3aek h LEU 77 Cb 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3aek h LEU 77 CO -0.12 0.44 0.04 0.00 0.09 0.00 0.00 178.44 178.90 3aek h ALA 78 N 0.91 0.11 -0.51 1.53 0.00 -0.88 -2.73 119.26 117.68 3aek h ALA 78 Ca 0.08 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3aek h ALA 78 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3aek h ALA 78 CO -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 179.25 178.91 3aek h ALA 79 N 0.93 1.05 -0.50 0.00 0.00 -0.49 -1.62 119.26 118.63 3aek h ALA 79 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3aek h ALA 79 Cb 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3aek h ALA 79 CO -0.00 0.60 0.22 0.00 0.00 0.00 0.00 179.25 180.06 3aek h ALA 80 N 1.20 0.64 -0.04 0.00 0.00 -1.36 -2.55 119.26 117.16 3aek h ALA 80 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3aek h ALA 80 Cb 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3aek h ALA 80 CO 0.02 0.22 -0.00 1.25 0.00 0.00 0.00 179.25 180.74 3aek h HIS 81 N 0.66 0.08 -0.99 0.00 6.17 -1.25 -1.91 115.15 117.91 3aek h HIS 81 Ca 0.17 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.29 3aek h HIS 81 Cb 0.15 -0.02 -0.06 0.00 2.52 0.00 0.00 27.41 30.00 3aek h HIS 81 CO -0.00 0.37 0.64 0.00 0.71 0.00 0.00 177.93 179.66 3aek h ALA 82 N 0.70 1.39 0.03 5.26 0.00 -1.31 0.38 119.26 125.70 3aek h ALA 82 Ca 0.01 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3aek h ALA 82 Cb 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3aek h ALA 82 CO 0.00 0.48 -0.52 -0.09 0.00 0.00 0.00 179.25 179.12 3aek h ARG 83 N 1.19 0.30 0.00 0.00 2.43 -1.45 -3.39 114.38 113.47 3aek h ARG 83 Ca 0.41 -0.36 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3aek h ARG 83 Cb 0.10 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3aek h ARG 83 CO -0.15 1.08 -1.77 0.66 -1.51 0.00 0.00 179.97 178.27 3aek n TYR 84 N -4.30 0.00 -3.82 2.20 4.02 -0.72 -5.03 117.16 109.52 3aek n TYR 84 Ca -0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.42 3aek n TYR 84 Cb 0.65 -0.39 0.03 0.00 -0.02 0.00 0.00 39.34 39.61 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 -2.09 -1.01 -1.77 -0.72 4.76 0.12 -4.94 118.16 112.51 3aek n LYS 85 Ca -0.03 0.33 -0.31 0.00 -2.87 0.00 0.00 58.31 55.43 3aek n LYS 85 Cb 0.48 -3.65 0.03 0.00 -1.84 0.00 0.00 35.03 30.04 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 -6.46 3.28 0.38 1.97 0.04 -1.26 -4.96 135.00 127.98 3aek s PRO 86 Ca 0.46 0.90 0.18 0.00 0.04 0.00 0.00 61.00 62.57 3aek s PRO 86 Cb -0.19 -2.04 0.74 0.00 0.04 0.00 0.00 34.50 33.05 3aek s PRO 86 CO 0.90 -0.83 1.77 1.96 0.04 0.00 0.00 177.00 180.84 3aek h GLN 87 N -0.39 0.00 -3.13 4.56 4.20 -1.45 -3.46 115.11 115.44 3aek h GLN 87 Ca -0.44 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.27 3aek h GLN 87 Cb 1.20 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.89 3aek h GLN 87 CO 0.59 0.37 0.14 0.00 -0.67 0.00 0.00 178.83 179.26 3aek s ALA 88 N -3.78 -1.20 0.18 3.87 0.00 -1.24 -4.36 121.76 115.23 3aek s ALA 88 Ca -0.01 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3aek s ALA 88 Cb 0.12 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.06 3aek s ALA 88 CO 0.69 -0.86 -0.06 -1.64 0.00 0.00 0.00 175.76 173.88 3aek s MET 89 N -3.85 1.16 0.05 0.00 -1.94 0.58 -2.87 119.30 112.42 3aek s MET 89 Ca 0.08 -1.53 0.05 0.00 -1.71 0.00 0.00 55.69 52.58 3aek s MET 89 Cb -0.02 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 3aek s MET 89 CO -0.03 0.01 -0.15 0.00 -0.01 0.00 0.00 175.02 174.84 3aek s ALA 90 N -3.37 1.26 -0.02 3.03 0.00 -0.27 -0.35 121.76 122.03 3aek s ALA 90 Ca 0.21 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3aek s ALA 90 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 3aek s ALA 90 CO 0.03 0.23 -0.12 0.54 0.00 0.00 0.00 175.76 176.44 3aek s VAL 91 N -0.98 1.03 0.22 0.00 0.11 -0.38 -0.43 120.40 119.96 3aek s VAL 91 Ca 0.01 -0.52 -0.17 0.00 -2.93 0.00 0.00 61.98 58.38 3aek s VAL 91 Cb -0.09 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.90 3aek s VAL 91 CO 0.02 0.30 0.54 0.00 -3.33 0.00 0.00 175.10 172.63 3aek s ALA 92 N -0.04 -0.81 -0.06 1.54 0.00 -0.77 -0.30 121.76 121.33 3aek s ALA 92 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 3aek s ALA 92 Cb -0.08 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3aek s ALA 92 CO 0.00 -0.84 0.04 -0.51 0.00 0.00 0.00 175.76 174.45 3aek s LEU 93 N -2.91 3.78 0.72 0.00 1.43 -1.26 -0.90 118.68 119.54 3aek s LEU 93 Ca 0.12 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.29 3aek s LEU 93 Cb -0.02 -2.01 0.04 0.00 0.03 0.00 0.00 46.19 44.24 3aek s LEU 93 CO 0.01 0.34 1.09 0.28 0.23 0.00 0.00 176.35 178.30 3aek s THR 94 N -1.02 2.88 0.26 5.49 -1.32 -0.50 -4.79 115.64 116.64 3aek s THR 94 Ca 0.17 0.17 -0.02 0.00 -1.21 0.00 0.00 61.69 60.80 3aek s THR 94 Cb -0.12 -3.26 0.25 0.00 -1.51 0.00 0.00 72.50 67.86 3aek s THR 94 CO 0.07 -0.33 1.85 0.00 -2.21 0.00 0.00 174.62 174.00 3aek h THR 96 N 1.00 1.26 0.00 0.00 2.02 -1.94 -3.07 112.91 112.18 3aek h THR 96 Ca 0.43 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 3aek h THR 96 Cb 0.31 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3aek h THR 96 CO -0.22 0.41 -0.18 0.00 0.37 0.00 0.00 175.52 175.90 3aek h ALA 97 N 1.07 1.02 0.00 6.16 0.00 -1.61 -2.60 119.26 123.29 3aek h ALA 97 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3aek h ALA 97 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3aek h ALA 97 CO 0.03 0.22 -0.17 0.93 0.00 0.00 0.00 179.25 180.26 3aek h GLU 98 N 0.00 0.00 -0.00 0.00 5.08 -1.16 -1.99 114.58 116.51 3aek h GLU 98 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3aek h GLU 98 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3aek h GLU 98 CO 0.02 0.17 -0.09 1.28 -1.00 0.00 0.00 179.01 179.39 3aek n LEU 99 N -3.87 0.12 -4.98 1.33 4.77 -0.98 -4.82 117.00 108.57 3aek n LEU 99 Ca -0.02 0.36 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 3aek n LEU 99 Cb 0.27 -0.41 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3aek n LEU 99 CO 0.33 0.03 0.52 -0.76 -1.33 0.00 0.00 177.39 176.17 3aek s LEU 100 N -2.92 3.03 -0.18 2.23 1.02 -0.75 -5.04 118.68 116.07 3aek s LEU 100 Ca 0.16 -0.14 0.15 0.00 0.02 0.00 0.00 54.13 54.32 3aek s LEU 100 Cb 0.19 -2.38 0.39 0.00 0.02 0.00 0.00 46.19 44.40 3aek s LEU 100 CO 0.55 -1.66 1.24 0.00 0.02 0.00 0.00 176.35 176.50 3aek n GLN 101 N -2.74 1.64 -2.64 1.70 6.02 -1.26 -5.01 117.38 115.08 3aek n GLN 101 Ca 0.12 -2.92 -0.37 0.00 -0.01 0.00 0.00 57.00 53.82 3aek n GLN 101 Cb 0.60 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 30.19 3aek n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3aek s ASP 102 N -2.85 7.08 -0.43 1.08 -0.00 -1.26 -5.03 116.67 115.26 3aek s ASP 102 Ca 0.37 1.97 -0.06 0.00 -0.00 0.00 0.00 52.55 54.83 3aek s ASP 102 Cb 0.33 -2.59 0.11 0.00 -0.00 0.00 0.00 42.92 40.77 3aek s ASP 102 CO 0.00 -0.26 0.26 -0.62 -0.00 0.00 0.00 175.17 174.55 3aek s ASP 103 N -1.51 5.45 0.41 0.27 3.68 -1.26 -4.97 116.67 118.74 3aek s ASP 103 Ca 0.53 -1.93 0.09 0.00 2.13 0.00 0.00 52.55 53.37 3aek s ASP 103 Cb -0.22 -1.91 0.87 0.00 -1.45 0.00 0.00 42.92 40.21 3aek s ASP 103 CO 0.27 -0.60 2.00 1.55 0.13 0.00 0.00 175.17 178.53 3aek h PRO 104 N 8.23 0.35 -0.27 4.34 0.13 -1.98 -0.18 132.00 142.63 3aek h PRO 104 Ca -0.17 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3aek h PRO 104 Cb 1.06 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3aek h PRO 104 CO 0.76 0.33 0.07 -0.97 -0.23 0.00 0.00 178.00 177.97 3aek h ASN 105 N 0.35 0.39 -0.03 1.44 -0.00 -1.95 -0.95 115.58 114.83 3aek h ASN 105 Ca 0.08 -0.22 -0.17 0.00 -0.00 0.00 0.00 56.30 56.00 3aek h ASN 105 Cb 0.15 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 38.36 3aek h ASN 105 CO -0.00 0.51 -0.55 1.23 -0.00 0.00 0.00 177.43 178.62 3aek h GLY 106 N 0.26 0.68 0.87 1.57 0.00 -1.91 -2.05 103.07 102.48 3aek h GLY 106 Ca 0.08 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 3aek h GLY 106 CO -0.00 0.71 0.02 -2.22 0.00 0.00 0.00 176.54 175.05 3aek h ILE 107 N 0.48 1.25 -0.13 2.60 2.04 -1.04 -2.08 117.51 120.63 3aek h ILE 107 Ca 0.01 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 64.90 3aek h ILE 107 Cb 1.11 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3aek h ILE 107 CO 0.11 0.28 -0.37 -1.28 0.00 0.00 0.00 178.15 176.89 3aek h SER 108 N 0.27 0.27 0.21 1.72 0.87 -1.17 -2.80 113.55 112.93 3aek h SER 108 Ca 0.08 -0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 3aek h SER 108 Cb 0.39 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.28 3aek h SER 108 CO 0.01 0.63 -0.92 0.03 -0.53 0.00 0.00 176.83 176.04 3aek h ARG 109 N 0.23 0.50 0.00 2.24 3.08 -1.35 -3.16 114.38 115.93 3aek h ARG 109 Ca 0.03 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 3aek h ARG 109 Cb 0.76 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3aek h ARG 109 CO 0.06 1.15 -0.25 0.00 -1.07 0.00 0.00 179.97 179.86 3aek h ALA 110 N 0.68 1.35 -0.08 0.04 0.00 -1.33 -2.87 119.26 117.05 3aek h ALA 110 Ca -0.08 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3aek h ALA 110 Cb 1.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3aek h ALA 110 CO 0.17 0.31 -0.61 1.25 0.00 0.00 0.00 179.25 180.38 3aek h LEU 111 N 0.00 0.32 -1.92 0.00 6.46 -1.47 -3.48 115.31 115.22 3aek h LEU 111 Ca -0.00 -0.19 -0.35 0.00 -0.12 0.00 0.00 57.88 57.22 3aek h LEU 111 Cb 0.52 -0.09 0.14 0.00 -0.73 0.00 0.00 40.66 40.49 3aek h LEU 111 CO 0.03 0.85 -0.81 -3.20 -0.62 0.00 0.00 178.44 174.69 3aek n ASN 112 N -3.88 -2.79 -4.78 1.25 5.15 -1.08 -4.98 115.26 104.14 3aek n ASN 112 Ca -0.03 -0.72 -0.35 0.00 -0.60 0.00 0.00 54.58 52.88 3aek n ASN 112 Cb 0.62 -4.72 -0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -6.28 3.79 0.00 1.20 1.43 -1.26 -4.93 118.68 112.62 3aek s LEU 113 Ca 0.11 2.15 0.12 0.00 -1.03 0.00 0.00 54.13 55.49 3aek s LEU 113 Cb -0.02 -4.54 0.74 0.00 0.03 0.00 0.00 46.19 42.39 3aek s LEU 113 CO 0.76 -1.12 1.19 -0.81 0.23 0.00 0.00 176.35 176.60 3aek n PRO 114 N -1.17 0.56 -4.43 1.29 -0.04 -1.26 -4.74 135.00 125.22 3aek n PRO 114 Ca 0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 3aek n PRO 114 Cb 0.51 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 3aek n PRO 114 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3aek s VAL 115 N -2.00 1.74 0.23 0.52 -7.23 -1.26 -5.12 120.40 107.28 3aek s VAL 115 Ca 0.19 -2.16 -0.31 0.00 -1.81 0.00 0.00 61.98 57.89 3aek s VAL 115 Cb 0.09 -2.39 -0.11 0.00 0.56 0.00 0.00 36.38 34.53 3aek s VAL 115 CO 0.14 -0.34 1.56 -2.84 -0.31 0.00 0.00 175.10 173.31 3aek s PRO 116 N -3.70 4.19 -0.29 4.82 0.02 -1.26 -4.89 135.00 133.90 3aek s PRO 116 Ca 0.29 2.44 -0.03 0.00 0.02 0.00 0.00 61.00 63.71 3aek s PRO 116 Cb 0.02 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3aek s PRO 116 CO 0.12 -0.59 0.01 0.08 -0.33 0.00 0.00 177.00 176.29 3aek s VAL 117 N 0.53 3.22 -0.39 3.83 1.01 -1.26 -0.31 120.40 127.04 3aek s VAL 117 Ca 0.66 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3aek s VAL 117 Cb -0.45 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3aek s VAL 117 CO 0.39 0.03 0.47 -0.69 0.00 0.00 0.00 175.10 175.30 3aek s VAL 118 N 1.34 5.04 0.30 2.92 1.01 0.53 -4.91 120.40 126.64 3aek s VAL 118 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 3aek s VAL 118 Cb -0.18 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3aek s VAL 118 CO -0.01 -0.33 1.02 -2.16 0.00 0.00 0.00 175.10 173.62 3aek s PRO 119 N 2.29 4.59 -0.03 2.72 0.04 -1.26 -1.25 135.00 142.09 3aek s PRO 119 Ca 0.15 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.83 3aek s PRO 119 Cb -0.16 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 3aek s PRO 119 CO 0.14 0.23 -0.23 -0.51 0.04 0.00 0.00 177.00 176.68 3aek s LEU 120 N -1.73 2.25 -0.43 -3.56 1.43 0.59 -4.90 118.68 112.33 3aek s LEU 120 Ca 0.47 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 53.11 3aek s LEU 120 Cb -0.26 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.66 3aek s LEU 120 CO 0.33 0.32 0.27 -0.70 0.23 0.00 0.00 176.35 176.79 3aek s GLU 121 N -0.58 2.32 -0.37 1.70 -6.30 -1.26 -4.49 118.70 109.72 3aek s GLU 121 Ca 0.09 -1.72 0.04 0.00 -2.50 0.00 0.00 54.97 50.88 3aek s GLU 121 Cb -0.11 -3.75 0.10 0.00 0.00 0.00 0.00 34.13 30.38 3aek s GLU 121 CO 0.00 -1.09 0.09 -0.51 0.02 0.00 0.00 175.26 173.77 3aek s LEU 122 N 1.29 4.52 -0.48 2.70 1.43 -1.26 -5.03 118.68 121.85 3aek s LEU 122 Ca 0.06 -2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 50.61 3aek s LEU 122 Cb -0.24 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3aek s LEU 122 CO -0.02 -0.36 1.19 -2.16 0.23 0.00 0.00 176.35 175.24 3aek s PRO 123 N 0.76 3.68 0.38 1.29 0.05 -1.26 -4.87 135.00 135.03 3aek s PRO 123 Ca 0.12 0.60 0.21 0.00 0.05 0.00 0.00 61.00 61.98 3aek s PRO 123 Cb -0.20 -3.94 0.40 0.00 0.05 0.00 0.00 34.50 30.81 3aek s PRO 123 CO -0.08 -1.44 1.60 1.03 0.05 0.00 0.00 177.00 178.17 3aek h SER 124 N 9.52 0.00 0.63 6.66 0.87 -1.94 -0.01 113.55 129.27 3aek h SER 124 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3aek h SER 124 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3aek h SER 124 CO 1.13 0.24 -1.33 -1.22 -0.53 0.00 0.00 176.83 175.11 3aek n TYR 125 N -3.20 0.61 -0.05 2.24 4.01 -1.26 -4.40 117.16 115.10 3aek n TYR 125 Ca 0.02 0.18 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 3aek n TYR 125 Cb 0.58 -0.78 -0.08 0.00 -0.31 0.00 0.00 39.34 38.76 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 -2.49 2.60 -4.83 7.72 3.41 -1.23 -5.07 113.62 113.72 3aek n SER 126 Ca -0.01 -0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.35 3aek n SER 126 Cb 0.55 0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 65.04 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 -2.25 2.36 0.09 4.33 1.81 -0.02 -5.11 118.95 120.17 3aek s ARG 127 Ca -0.07 -1.75 0.01 0.00 -1.72 0.00 0.00 55.73 52.19 3aek s ARG 127 Cb 0.03 -2.18 -0.00 0.00 -0.45 0.00 0.00 34.95 32.35 3aek s ARG 127 CO 0.39 -0.26 0.04 1.63 -0.68 0.00 0.00 175.30 176.42 3aek n LYS 128 N -1.49 0.79 -0.16 3.54 5.02 -1.26 -4.34 118.16 120.25 3aek n LYS 128 Ca 0.01 -0.79 -0.05 0.00 -2.02 0.00 0.00 58.31 55.46 3aek n LYS 128 Cb 0.63 0.45 0.01 0.00 -0.02 0.00 0.00 35.03 36.11 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 -0.14 -0.49 1.97 4.81 -1.03 -1.90 114.58 117.80 3aek h GLU 129 Ca -0.07 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3aek h GLU 129 Cb 0.28 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3aek h GLU 129 CO 0.11 -0.09 0.26 -0.91 -0.73 0.00 0.00 179.01 177.64 3aek h ASN 130 N -0.15 0.62 -0.48 1.04 2.35 -1.90 -1.56 115.58 115.51 3aek h ASN 130 Ca 0.23 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3aek h ASN 130 Cb 0.51 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 3aek h ASN 130 CO -0.59 0.55 0.23 0.22 -1.65 0.00 0.00 177.43 176.19 3aek h TYR 131 N 0.65 0.43 -0.62 1.19 3.20 -1.74 -0.38 116.97 119.69 3aek h TYR 131 Ca 0.17 0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.18 3aek h TYR 131 Cb 0.08 -0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.13 3aek h TYR 131 CO -0.01 0.20 0.08 0.78 -1.64 0.00 0.00 178.16 177.57 3aek h GLY 132 N 0.46 0.75 0.75 1.82 0.00 -0.71 0.27 103.07 106.40 3aek h GLY 132 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3aek h GLY 132 CO -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.22 3aek h ALA 133 N 1.52 0.09 -0.29 3.60 0.00 -0.95 -1.02 119.26 122.22 3aek h ALA 133 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3aek h ALA 133 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3aek h ALA 133 CO -0.46 -0.24 0.19 0.22 0.00 0.00 0.00 179.25 178.96 3aek h ASP 134 N -0.15 0.33 -0.18 0.00 3.58 -0.59 -1.34 116.42 118.07 3aek h ASP 134 Ca 0.02 -0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.29 3aek h ASP 134 Cb 0.32 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3aek h ASP 134 CO 0.00 0.25 -0.47 -0.08 -2.88 0.00 0.00 179.24 176.07 3aek h GLU 135 N 0.38 0.74 0.29 0.28 4.57 -0.53 -0.63 114.58 119.69 3aek h GLU 135 Ca 0.10 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3aek h GLU 135 Cb -0.03 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3aek h GLU 135 CO -0.02 1.05 -0.14 1.15 -1.18 0.00 0.00 179.01 179.87 3aek h THR 136 N 0.59 0.74 -0.71 0.32 2.02 -1.09 0.43 112.91 115.22 3aek h THR 136 Ca 0.03 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.07 3aek h THR 136 Cb 1.03 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 3aek h THR 136 CO 0.10 0.04 0.40 0.15 0.37 0.00 0.00 175.52 176.58 3aek h PHE 137 N -0.50 0.73 -0.18 3.16 3.57 -1.27 -1.38 116.94 121.07 3aek h PHE 137 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3aek h PHE 137 Cb 0.37 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3aek h PHE 137 CO -0.03 0.35 0.12 -0.09 -2.23 0.00 0.00 178.31 176.43 3aek h ARG 138 N 0.73 0.25 -0.50 1.11 2.43 -0.98 -1.22 114.38 116.21 3aek h ARG 138 Ca 0.32 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3aek h ARG 138 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3aek h ARG 138 CO -0.19 0.18 0.33 0.00 -1.51 0.00 0.00 179.97 178.78 3aek h ALA 139 N 1.05 1.65 -0.02 2.80 0.00 -0.35 0.22 119.26 124.61 3aek h ALA 139 Ca 0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 3aek h ALA 139 Cb -0.01 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.60 3aek h ALA 139 CO -0.01 0.33 -0.99 -0.07 0.00 0.00 0.00 179.25 178.51 3aek h LEU 140 N 0.67 0.86 -0.52 0.00 3.38 -1.08 -2.61 115.31 116.02 3aek h LEU 140 Ca 0.18 -0.67 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 3aek h LEU 140 Cb -0.08 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3aek h LEU 140 CO -0.04 1.47 -0.21 0.58 0.09 0.00 0.00 178.44 180.33 3aek h VAL 141 N 0.40 1.27 0.00 1.22 2.07 -0.86 -2.41 116.25 117.93 3aek h VAL 141 Ca -0.11 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 3aek h VAL 141 Cb 1.63 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3aek h VAL 141 CO 0.19 0.47 -0.23 -0.09 0.02 0.00 0.00 177.57 177.93 3aek h ARG 142 N 0.85 0.00 0.00 1.57 2.43 -0.99 0.49 114.38 118.74 3aek h ARG 142 Ca 0.11 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 3aek h ARG 142 Cb 0.78 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 3aek h ARG 142 CO 0.06 0.23 -0.95 0.00 -1.51 0.00 0.00 179.97 177.81 3aek h ALA 143 N 1.77 0.54 0.00 2.80 0.00 -1.29 -3.42 119.26 119.66 3aek h ALA 143 Ca -0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 54.91 54.04 3aek h ALA 143 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3aek h ALA 143 CO 0.03 1.03 -1.25 1.28 0.00 0.00 0.00 179.25 180.33 3aek n LEU 144 N -3.22 2.73 -4.77 0.00 4.77 -0.92 -5.03 117.00 110.56 3aek n LEU 144 Ca -0.02 -0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.53 3aek n LEU 144 Cb 0.87 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 3aek n LEU 144 CO 0.44 0.53 0.97 0.00 -1.33 0.00 0.00 177.39 178.01 3aek s ALA 145 N -2.09 3.50 -0.06 -1.18 0.00 0.15 -4.11 121.76 117.97 3aek s ALA 145 Ca -0.06 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 3aek s ALA 145 Cb 0.01 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3aek s ALA 145 CO 0.11 -0.63 0.17 0.08 0.00 0.00 0.00 175.76 175.49 3aek s VAL 146 N -1.09 0.00 0.11 0.00 1.01 -1.26 -4.88 120.40 114.30 3aek s VAL 146 Ca 0.49 -0.04 -0.36 0.00 0.00 0.00 0.00 61.98 62.07 3aek s VAL 146 Cb -0.39 -0.26 -0.16 0.00 0.00 0.00 0.00 36.38 35.57 3aek s VAL 146 CO 0.52 -0.02 1.36 -2.65 0.00 0.00 0.00 175.10 174.31 3aek n PRO 147 N 2.90 1.33 -4.13 2.72 -0.02 -1.26 -4.04 135.00 132.50 3aek n PRO 147 Ca -0.13 0.48 -0.09 0.00 -2.02 0.00 0.00 63.50 61.74 3aek n PRO 147 Cb 0.59 -2.13 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.42 0.72 0.42 -0.52 -1.94 -1.26 -5.02 119.30 112.13 3aek s MET 148 Ca 0.82 -1.28 -0.26 0.00 -1.71 0.00 0.00 55.69 53.26 3aek s MET 148 Cb -0.89 0.03 -0.09 0.00 2.01 0.00 0.00 34.83 35.89 3aek s MET 148 CO 0.46 -0.08 1.37 -1.21 -0.01 0.00 0.00 175.02 175.56 3aek s GLU 149 N -3.89 3.87 0.64 2.03 2.02 -1.26 -4.63 118.70 117.48 3aek s GLU 149 Ca 0.10 2.31 -0.18 0.00 0.02 0.00 0.00 54.97 57.22 3aek s GLU 149 Cb 0.07 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.55 3aek s GLU 149 CO -0.07 -0.63 1.26 1.03 0.02 0.00 0.00 175.26 176.87 3aek s ARG 150 N -2.31 2.61 0.49 1.61 1.81 -1.26 -4.41 118.95 117.49 3aek s ARG 150 Ca 0.58 1.96 -0.24 0.00 -1.72 0.00 0.00 55.73 56.32 3aek s ARG 150 Cb -0.41 -1.87 -0.07 0.00 -0.45 0.00 0.00 34.95 32.15 3aek s ARG 150 CO 0.53 -1.53 1.37 0.25 -0.68 0.00 0.00 175.30 175.24 3aek n THR 151 N -1.93 3.22 -0.33 0.02 -2.24 0.75 -4.92 114.28 108.85 3aek n THR 151 Ca 0.15 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.47 3aek n THR 151 Cb 0.49 -1.71 0.19 0.00 -2.10 0.00 0.00 70.33 67.20 3aek n THR 151 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3aek h PRO 152 N 1.85 0.91 -6.53 -0.78 0.13 -1.94 -3.42 132.00 122.23 3aek h PRO 152 Ca -0.50 -0.05 -0.51 0.00 -0.87 0.00 0.00 66.00 64.06 3aek h PRO 152 Cb 1.29 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3aek h PRO 152 CO 0.59 0.60 -0.12 -1.21 -0.23 0.00 0.00 178.00 177.63 3aek s GLU 153 N -6.01 3.64 -0.12 0.86 0.41 -1.26 -5.04 118.70 111.19 3aek s GLU 153 Ca -0.12 0.04 -0.29 0.00 -0.41 0.00 0.00 54.97 54.18 3aek s GLU 153 Cb 0.20 -2.62 -0.05 0.00 -1.78 0.00 0.00 34.13 29.89 3aek s GLU 153 CO 0.80 0.18 1.68 0.08 -0.49 0.00 0.00 175.26 177.52 3aek s VAL 154 N -2.13 3.57 0.09 2.63 1.01 -1.26 -4.93 120.40 119.38 3aek s VAL 154 Ca 0.44 0.67 0.04 0.00 0.00 0.00 0.00 61.98 63.13 3aek s VAL 154 Cb -0.11 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3aek s VAL 154 CO 0.30 -0.13 -0.11 0.42 0.00 0.00 0.00 175.10 175.59 3aek s THR 155 N 4.68 0.96 0.25 3.92 -4.23 -1.26 -3.09 115.64 116.87 3aek s THR 155 Ca 0.75 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 59.73 3aek s THR 155 Cb -0.31 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 3aek s THR 155 CO 0.30 -0.51 -0.07 0.00 -0.54 0.00 0.00 174.62 173.80 3aek s ASN 157 N -3.38 6.45 -0.21 0.00 0.02 -0.72 0.47 114.94 117.57 3aek s ASN 157 Ca 0.27 0.49 -0.08 0.00 -1.02 0.00 0.00 52.86 52.52 3aek s ASN 157 Cb 0.03 -2.05 -0.04 0.00 0.02 0.00 0.00 41.25 39.21 3aek s ASN 157 CO 0.10 0.09 0.09 -0.76 0.02 0.00 0.00 177.10 176.64 3aek s LEU 158 N -2.60 3.84 -0.06 0.60 1.43 0.39 -0.42 118.68 121.85 3aek s LEU 158 Ca 0.39 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 3aek s LEU 158 Cb -0.12 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3aek s LEU 158 CO 0.26 0.11 -0.24 -0.76 0.23 0.00 0.00 176.35 175.94 3aek s LEU 159 N 0.77 2.06 0.00 1.79 1.02 -0.25 -0.59 118.68 123.48 3aek s LEU 159 Ca 0.05 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.69 3aek s LEU 159 Cb -0.13 -1.35 0.00 0.00 0.02 0.00 0.00 46.19 44.73 3aek s LEU 159 CO 0.02 0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.23 3aek n GLY 160 N 3.03 2.24 3.72 -3.19 0.00 -0.07 -1.72 105.19 109.20 3aek n GLY 160 Ca -0.18 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 -2.30 3.49 0.35 4.61 0.00 -1.25 -4.60 121.76 122.07 3aek s ALA 161 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3aek s ALA 161 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3aek s ALA 161 CO 0.00 -0.51 0.12 0.95 0.00 0.00 0.00 175.76 176.32 3aek s THR 162 N 0.81 0.67 0.58 0.00 -4.23 -1.26 -1.00 115.64 111.21 3aek s THR 162 Ca 0.60 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.93 3aek s THR 162 Cb -0.34 -2.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 3aek s THR 162 CO 0.32 0.00 1.11 0.00 -0.54 0.00 0.00 174.62 175.51 3aek s ALA 163 N -3.37 2.63 -1.46 3.99 0.00 -0.83 -3.61 121.76 119.11 3aek s ALA 163 Ca 0.31 0.70 -0.07 0.00 0.00 0.00 0.00 51.96 52.90 3aek s ALA 163 Cb 0.05 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3aek s ALA 163 CO 0.15 -0.91 0.67 1.28 0.00 0.00 0.00 175.76 176.95 3aek n LEU 164 N -1.68 -2.43 -4.78 0.00 4.77 -1.26 -4.80 117.00 106.82 3aek n LEU 164 Ca 0.11 -0.39 -0.36 0.00 -0.03 0.00 0.00 56.01 55.34 3aek n LEU 164 Cb 0.51 -2.71 -0.08 0.00 -2.33 0.00 0.00 43.42 38.82 3aek n LEU 164 CO 0.44 0.28 -0.24 -0.83 -1.33 0.00 0.00 177.39 175.71 3aek s GLY 165 N -2.82 2.01 -0.33 -0.72 0.00 -1.24 -5.04 107.32 99.18 3aek s GLY 165 Ca 0.39 -0.72 -0.28 0.00 0.00 0.00 0.00 44.72 44.11 3aek s GLY 165 CO 0.49 -0.44 1.84 -0.12 0.00 0.00 0.00 173.10 174.87 3aek s PHE 166 N -0.88 1.75 -1.87 1.90 5.36 -1.26 -2.80 117.98 120.18 3aek s PHE 166 Ca 0.14 0.62 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 3aek s PHE 166 Cb -0.12 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 3aek s PHE 166 CO 0.03 -3.03 0.00 0.54 -1.46 0.00 0.00 175.22 171.30 3aek n ARG 167 N 8.47 -1.62 -0.23 10.12 5.12 -1.26 -4.90 116.66 132.36 3aek n ARG 167 Ca 0.23 1.05 -0.07 0.00 -1.93 0.00 0.00 57.85 57.14 3aek n ARG 167 Cb 0.47 -5.59 0.04 0.00 -1.16 0.00 0.00 32.46 26.21 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 0.95 -0.15 -1.55 3.86 -1.86 -1.13 115.15 115.27 3aek h HIS 168 Ca -0.45 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 58.76 3aek h HIS 168 Cb 1.33 -0.29 -0.07 0.00 1.06 0.00 0.00 27.41 29.44 3aek h HIS 168 CO 0.57 0.72 -0.40 -0.09 0.86 0.00 0.00 177.93 179.59 3aek h ARG 169 N 0.91 -0.44 0.00 2.45 2.43 -1.89 -1.59 114.38 116.24 3aek h ARG 169 Ca 0.22 0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 3aek h ARG 169 Cb 0.13 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3aek h ARG 169 CO -0.03 -0.29 -1.04 -0.44 -1.51 0.00 0.00 179.97 176.66 3aek h ASP 170 N -0.46 0.00 -0.74 -3.80 3.32 -1.89 -2.92 116.42 109.93 3aek h ASP 170 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3aek h ASP 170 Cb 0.61 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 3aek h ASP 170 CO -0.40 0.91 0.48 0.44 -1.72 0.00 0.00 179.24 178.94 3aek h ASP 171 N 0.00 0.85 -0.32 6.45 3.32 -1.12 0.86 116.42 126.46 3aek h ASP 171 Ca -0.06 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.99 3aek h ASP 171 Cb 1.74 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 41.04 3aek h ASP 171 CO 0.11 0.63 0.14 0.58 -1.72 0.00 0.00 179.24 178.98 3aek h VAL 172 N 1.00 0.95 -0.64 -1.35 2.07 -1.24 0.08 116.25 117.13 3aek h VAL 172 Ca 0.27 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3aek h VAL 172 Cb -0.10 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3aek h VAL 172 CO -0.06 0.05 0.34 0.00 0.02 0.00 0.00 177.57 177.93 3aek h ALA 173 N 1.19 0.81 -0.10 1.67 0.00 -1.27 -1.66 119.26 119.89 3aek h ALA 173 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3aek h ALA 173 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3aek h ALA 173 CO -0.12 0.34 -0.23 1.49 0.00 0.00 0.00 179.25 180.73 3aek h GLU 174 N 0.87 0.34 -0.85 0.00 4.57 -0.66 -2.72 114.58 116.14 3aek h GLU 174 Ca 0.22 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3aek h GLU 174 Cb 0.05 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 3aek h GLU 174 CO -0.03 0.83 0.55 0.28 -1.18 0.00 0.00 179.01 179.45 3aek h VAL 175 N -0.10 1.22 -0.94 0.32 2.07 -0.99 -2.04 116.25 115.79 3aek h VAL 175 Ca 0.00 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3aek h VAL 175 Cb 0.82 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3aek h VAL 175 CO 0.05 0.22 0.58 0.74 0.02 0.00 0.00 177.57 179.18 3aek h THR 176 N 1.15 1.25 -0.83 2.57 2.02 -1.26 -2.24 112.91 115.57 3aek h THR 176 Ca 0.31 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 3aek h THR 176 Cb -0.11 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.18 3aek h THR 176 CO -0.06 0.26 0.38 0.11 0.37 0.00 0.00 175.52 176.58 3aek h LYS 177 N 1.29 1.21 -0.69 6.66 1.57 -1.12 -1.40 116.57 124.08 3aek h LYS 177 Ca 0.34 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 3aek h LYS 177 Cb -0.08 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 3aek h LYS 177 CO -0.07 0.94 0.21 -0.07 -0.57 0.00 0.00 179.45 179.89 3aek h LEU 178 N 1.19 0.99 0.12 2.94 3.38 -0.93 -2.61 115.31 120.39 3aek h LEU 178 Ca 0.28 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 3aek h LEU 178 Cb 0.14 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.65 3aek h LEU 178 CO -0.03 0.92 -1.27 -0.07 0.09 0.00 0.00 178.44 178.09 3aek h LEU 179 N 1.02 0.66 -0.97 1.67 3.38 -1.32 -3.27 115.31 116.48 3aek h LEU 179 Ca 0.22 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3aek h LEU 179 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3aek h LEU 179 CO -0.01 1.49 0.30 0.00 0.09 0.00 0.00 178.44 180.32 3aek h ALA 180 N 0.42 1.19 0.00 1.53 0.00 -1.04 0.98 119.26 122.34 3aek h ALA 180 Ca -0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3aek h ALA 180 Cb 1.96 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3aek h ALA 180 CO 0.23 0.60 -0.10 1.15 0.00 0.00 0.00 179.25 181.12 3aek h THR 181 N 1.03 0.75 -0.25 0.00 2.02 -1.55 0.23 112.91 115.13 3aek h THR 181 Ca 0.24 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3aek h THR 181 Cb 0.17 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3aek h THR 181 CO -0.02 0.10 0.00 0.23 0.37 0.00 0.00 175.52 176.20 3aek n MET 182 N -3.94 1.86 -1.72 6.66 2.00 -0.71 -4.72 117.12 116.55 3aek n MET 182 Ca -0.02 -1.31 -0.04 0.00 0.00 0.00 0.00 57.70 56.32 3aek n MET 182 Cb 0.20 -1.38 -0.01 0.00 0.00 0.00 0.00 33.22 32.03 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 1.17 0.39 3.28 3.03 0.00 0.07 -4.94 105.19 108.19 3aek n GLY 183 Ca 0.16 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.20 3.15 0.23 -0.61 1.01 0.26 -4.76 121.20 118.29 3aek s ILE 184 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3aek s ILE 184 Cb 0.00 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3aek s ILE 184 CO 0.00 0.44 0.45 -0.54 0.00 0.00 0.00 174.94 175.29 3aek s LYS 185 N 1.43 3.56 -0.07 2.79 1.02 -1.18 -2.71 119.74 124.58 3aek s LYS 185 Ca 0.05 -0.21 -0.23 0.00 0.02 0.00 0.00 55.97 55.61 3aek s LYS 185 Cb -0.14 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3aek s LYS 185 CO -0.05 0.34 0.66 0.54 -0.92 0.00 0.00 175.35 175.92 3aek s VAL 186 N -1.94 5.07 0.00 3.17 0.11 -1.26 -2.02 120.40 123.52 3aek s VAL 186 Ca 0.40 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 60.82 3aek s VAL 186 Cb -0.11 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.74 3aek s VAL 186 CO 0.29 0.27 0.13 -3.20 -3.33 0.00 0.00 175.10 169.26 3aek n ASN 187 N 3.74 0.00 -4.14 3.54 5.15 0.18 -4.90 115.26 118.82 3aek n ASN 187 Ca -0.02 0.33 -0.28 0.00 -0.60 0.00 0.00 54.58 54.00 3aek n ASN 187 Cb 0.51 -0.24 -0.17 0.00 -0.53 0.00 0.00 39.78 39.36 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 -0.74 1.59 -0.20 3.44 1.01 -1.26 -5.02 120.40 119.23 3aek s VAL 188 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.09 3aek s VAL 188 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3aek s VAL 188 CO 0.00 0.46 0.22 0.00 0.00 0.00 0.00 175.10 175.78 3aek s ALA 190 N 0.76 -0.90 0.28 0.00 0.00 0.24 -3.64 121.76 118.50 3aek s ALA 190 Ca 0.12 0.64 0.33 0.00 0.00 0.00 0.00 51.96 53.04 3aek s ALA 190 Cb -0.13 -0.17 1.50 0.00 0.00 0.00 0.00 23.12 24.33 3aek s ALA 190 CO 0.03 -0.24 2.05 -1.00 0.00 0.00 0.00 175.76 176.60 3aek h PRO 191 N 4.39 0.00 -6.26 0.00 0.13 -1.81 -0.15 132.00 128.30 3aek h PRO 191 Ca -0.28 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.28 3aek h PRO 191 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3aek h PRO 191 CO 0.35 0.07 1.21 -1.17 -0.23 0.00 0.00 178.00 178.23 3aek s LEU 192 N -6.54 3.79 0.00 1.56 2.96 -0.17 -1.89 118.68 118.39 3aek s LEU 192 Ca -0.01 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3aek s LEU 192 Cb 0.11 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.27 3aek s LEU 192 CO 0.55 -1.43 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 3aek n GLY 193 N 4.97 1.37 3.86 7.98 0.00 -0.05 -4.74 105.19 118.57 3aek n GLY 193 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.31 3.62 0.37 4.61 0.00 -0.79 -4.61 121.76 122.64 3aek s ALA 194 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.81 3aek s ALA 194 Cb 0.00 -2.44 -0.00 0.00 0.00 0.00 0.00 23.12 20.68 3aek s ALA 194 CO 0.00 0.49 0.50 -1.54 0.00 0.00 0.00 175.76 175.22 3aek s SER 195 N -1.84 5.82 0.29 0.00 1.04 -1.26 -1.15 113.70 116.61 3aek s SER 195 Ca 0.38 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.55 3aek s SER 195 Cb -0.14 -0.99 0.66 0.00 0.10 0.00 0.00 66.02 65.65 3aek s SER 195 CO 0.19 -0.56 1.79 -0.65 0.98 0.00 0.00 173.24 174.99 3aek h PRO 196 N 0.80 0.78 -0.17 4.02 0.11 -1.84 -1.67 132.00 134.03 3aek h PRO 196 Ca -0.43 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3aek h PRO 196 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3aek h PRO 196 CO 0.50 0.51 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.25 3aek h ASP 197 N 0.80 0.26 -0.42 -2.05 5.19 -1.93 -1.94 116.42 116.32 3aek h ASP 197 Ca 0.54 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.82 3aek h ASP 197 Cb 0.75 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 3aek h ASP 197 CO -0.35 0.40 -0.02 0.44 -3.12 0.00 0.00 179.24 176.59 3aek h ASP 198 N 0.26 0.81 0.18 6.45 3.45 -1.71 -2.87 116.42 122.99 3aek h ASP 198 Ca 0.05 -0.21 -0.06 0.00 0.43 0.00 0.00 57.03 57.25 3aek h ASP 198 Cb 0.36 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 3aek h ASP 198 CO 0.02 0.89 -0.23 -0.07 -1.57 0.00 0.00 179.24 178.28 3aek h LEU 199 N 0.78 0.09 -1.84 1.55 3.38 -0.67 -1.51 115.31 117.09 3aek h LEU 199 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3aek h LEU 199 Cb 0.50 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3aek h LEU 199 CO 0.03 0.32 -0.14 0.03 0.09 0.00 0.00 178.44 178.76 3aek h ARG 200 N 0.09 0.00 -0.50 1.13 3.08 -1.19 -3.00 114.38 113.99 3aek h ARG 200 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3aek h ARG 200 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3aek h ARG 200 CO 0.03 0.14 0.00 0.36 -1.07 0.00 0.00 179.97 179.43 3aek n LYS 201 N -3.83 4.01 0.22 0.04 2.85 -0.58 -4.19 118.16 116.68 3aek n LYS 201 Ca -0.02 -2.96 0.06 0.00 -1.05 0.00 0.00 58.31 54.34 3aek n LYS 201 Cb 0.24 -2.02 0.51 0.00 -0.65 0.00 0.00 35.03 33.11 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 3.34 0.00 -0.27 -5.58 3.38 -1.43 -3.23 115.31 111.53 3aek h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aek h LEU 202 Cb 1.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3aek h LEU 202 CO 0.34 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.70 3aek n GLY 203 N -0.76 -1.39 0.02 0.83 0.00 -1.26 -3.08 105.19 99.55 3aek n GLY 203 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 3aek n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3aek n GLN 204 N -2.01 0.17 -2.05 1.61 10.64 -1.22 -4.18 117.38 120.34 3aek n GLN 204 Ca 0.04 -0.05 -0.33 0.00 -1.83 0.00 0.00 57.00 54.83 3aek n GLN 204 Cb 0.30 -1.50 0.02 0.00 -0.86 0.00 0.00 30.24 28.19 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 -2.87 2.66 0.05 2.61 0.00 -1.18 -0.18 121.76 122.86 3aek s ALA 205 Ca 0.17 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.60 3aek s ALA 205 Cb 0.19 -3.29 -0.30 0.00 0.00 0.00 0.00 23.12 19.72 3aek s ALA 205 CO 0.56 -0.90 1.06 0.45 0.00 0.00 0.00 175.76 176.94 3aek h HIS 206 N 0.57 0.62 -3.53 0.00 3.86 -1.05 -3.46 115.15 112.16 3aek h HIS 206 Ca -0.48 -0.45 -0.16 0.00 -1.16 0.00 0.00 60.37 58.12 3aek h HIS 206 Cb 1.24 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 3aek h HIS 206 CO 0.56 1.37 0.05 1.97 0.86 0.00 0.00 177.93 182.74 3aek n PHE 207 N -3.57 -1.89 -4.90 2.45 1.16 -1.22 -4.34 117.46 105.15 3aek n PHE 207 Ca -0.12 -2.12 -0.27 0.00 -1.87 0.00 0.00 57.45 53.08 3aek n PHE 207 Cb 1.05 0.73 -0.16 0.00 -1.61 0.00 0.00 39.48 39.49 3aek n PHE 207 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3aek s ASN 208 N -3.12 2.30 -0.46 5.98 0.01 0.08 -1.76 114.94 117.97 3aek s ASN 208 Ca 0.23 -0.38 -0.22 0.00 -0.71 0.00 0.00 52.86 51.78 3aek s ASN 208 Cb -0.03 -0.66 0.03 0.00 0.41 0.00 0.00 41.25 41.00 3aek s ASN 208 CO 0.17 0.16 0.72 -0.69 -1.51 0.00 0.00 177.10 175.95 3aek s VAL 209 N 0.03 4.73 -0.82 1.60 1.01 0.44 -1.48 120.40 125.91 3aek s VAL 209 Ca -0.04 0.21 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3aek s VAL 209 Cb -0.12 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.03 3aek s VAL 209 CO 0.03 -0.70 1.26 -0.22 0.00 0.00 0.00 175.10 175.47 3aek s LEU 210 N 3.08 3.61 0.03 3.92 0.20 -1.26 -1.09 118.68 127.17 3aek s LEU 210 Ca 0.26 -0.94 -0.20 0.00 0.69 0.00 0.00 54.13 53.93 3aek s LEU 210 Cb -0.13 -2.53 -0.16 0.00 -0.43 0.00 0.00 46.19 42.94 3aek s LEU 210 CO 0.20 -1.62 1.28 0.24 -0.29 0.00 0.00 176.35 176.16 3aek h MET 211 N 9.80 0.36 -3.09 1.98 2.86 -1.69 -3.43 114.93 121.73 3aek h MET 211 Ca -0.12 -0.23 -0.54 0.00 -2.06 0.00 0.00 59.70 56.76 3aek h MET 211 Cb 1.04 0.03 -0.40 0.00 0.06 0.00 0.00 31.60 32.33 3aek h MET 211 CO 1.29 0.82 -0.77 0.71 1.06 0.00 0.00 176.91 180.02 3aek s TYR 212 N -4.03 0.76 0.38 -0.22 1.51 -1.25 -4.91 117.35 109.60 3aek s TYR 212 Ca -0.14 -1.08 0.18 0.00 -1.01 0.00 0.00 57.07 55.02 3aek s TYR 212 Cb 0.05 -1.13 1.13 0.00 -0.11 0.00 0.00 41.96 41.90 3aek s TYR 212 CO 0.76 -0.80 1.70 -1.35 -1.11 0.00 0.00 175.55 174.76 3aek h PRO 213 N 8.31 0.33 0.00 -1.71 0.11 -1.91 0.39 132.00 137.51 3aek h PRO 213 Ca -0.17 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 3aek h PRO 213 Cb 1.03 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3aek h PRO 213 CO 0.43 0.22 -0.16 1.05 -0.21 0.00 0.00 178.00 179.33 3aek h GLU 214 N 0.34 0.00 -0.00 1.05 9.09 -1.95 -1.93 114.58 121.18 3aek h GLU 214 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 3aek h GLU 214 Cb 1.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.83 3aek h GLU 214 CO -0.44 0.16 -0.01 0.25 0.05 0.00 0.00 179.01 179.02 3aek n THR 215 N -3.69 0.00 -0.01 -1.06 -2.24 -0.76 -4.23 114.28 102.28 3aek n THR 215 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3aek n THR 215 Cb 0.28 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.31 0.97 0.20 3.38 0.00 0.06 -4.29 105.19 105.81 3aek n GLY 216 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 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 0.25 -0.32 1.61 4.57 -1.50 -1.71 114.58 117.49 3aek h GLU 217 Ca 0.00 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.01 3aek h GLU 217 Cb 0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3aek h GLU 217 CO 0.00 0.16 -0.41 0.77 -1.18 0.00 0.00 179.01 178.36 3aek h SER 218 N 0.26 0.83 0.40 1.04 0.02 -1.84 -2.39 113.55 111.87 3aek h SER 218 Ca 0.24 -0.38 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 3aek h SER 218 Cb 0.32 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3aek h SER 218 CO -0.31 1.13 -0.49 0.00 -1.14 0.00 0.00 176.83 176.02 3aek h ALA 219 N 0.90 1.10 -0.60 3.77 0.00 -1.79 -2.32 119.26 120.32 3aek h ALA 219 Ca 0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3aek h ALA 219 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3aek h ALA 219 CO 0.09 0.64 0.04 0.00 0.00 0.00 0.00 179.25 180.02 3aek h ALA 220 N 1.41 0.81 -0.36 0.00 0.00 -1.04 -1.63 119.26 118.45 3aek h ALA 220 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3aek h ALA 220 Cb 0.91 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3aek h ALA 220 CO 0.07 0.62 -0.33 0.00 0.00 0.00 0.00 179.25 179.60 3aek h ARG 221 N 0.94 0.87 -0.46 0.00 3.08 -1.31 -2.32 114.38 115.18 3aek h ARG 221 Ca 0.18 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.76 3aek h ARG 221 Cb 0.51 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3aek h ARG 221 CO 0.02 1.09 0.20 1.25 -1.07 0.00 0.00 179.97 181.47 3aek h HIS 222 N 0.66 0.67 0.00 3.04 2.76 -1.36 -2.38 115.15 118.55 3aek h HIS 222 Ca 0.06 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3aek h HIS 222 Cb 0.92 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 3aek h HIS 222 CO 0.07 0.56 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.07 3aek h LEU 223 N 0.60 0.00 -0.28 0.26 3.38 -1.24 0.35 115.31 118.38 3aek h LEU 223 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3aek h LEU 223 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3aek h LEU 223 CO -0.02 0.11 -0.66 -0.08 0.09 0.00 0.00 178.44 177.89 3aek h GLU 224 N 0.00 0.77 0.02 1.13 4.81 -1.03 -0.81 114.58 119.48 3aek h GLU 224 Ca -0.00 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3aek h GLU 224 Cb 0.43 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3aek h GLU 224 CO 0.01 1.18 -0.01 0.00 -0.73 0.00 0.00 179.01 179.46 3aek h ARG 225 N 0.56 -0.03 -0.14 1.92 3.08 -0.86 -2.71 114.38 116.20 3aek h ARG 225 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.87 3aek h ARG 225 Cb 1.26 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.33 3aek h ARG 225 CO 0.14 0.68 -0.57 0.00 -1.07 0.00 0.00 179.97 179.14 3aek h ALA 226 N 0.07 0.25 -0.14 0.04 0.00 -0.44 -3.35 119.26 115.70 3aek h ALA 226 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3aek h ALA 226 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3aek h ALA 226 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3aek n LYS 228 N 0.25 -4.24 -3.56 0.00 4.76 -1.02 -4.93 118.16 109.41 3aek n LYS 228 Ca 0.06 0.48 -0.39 0.00 -2.87 0.00 0.00 58.31 55.59 3aek n LYS 228 Cb 0.29 -5.24 -0.11 0.00 -1.84 0.00 0.00 35.03 28.13 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 -6.76 3.74 0.64 1.97 -0.21 -1.07 -4.97 119.66 113.00 3aek s GLN 229 Ca 0.65 -0.47 -0.18 0.00 0.02 0.00 0.00 55.36 55.39 3aek s GLN 229 Cb -0.34 -3.73 -0.02 0.00 1.00 0.00 0.00 33.01 29.92 3aek s GLN 229 CO 0.88 -0.31 1.29 -2.14 -2.12 0.00 0.00 175.29 172.89 3aek s PRO 230 N 1.75 2.63 0.04 2.91 0.02 -1.26 -3.74 135.00 137.35 3aek s PRO 230 Ca 0.07 2.04 0.06 0.00 0.02 0.00 0.00 61.00 63.19 3aek s PRO 230 Cb -0.17 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3aek s PRO 230 CO 0.11 -1.53 -0.17 -0.59 -0.33 0.00 0.00 177.00 174.49 3aek s PHE 231 N -1.41 1.52 0.28 6.54 -0.12 -1.26 -0.74 117.98 122.79 3aek s PHE 231 Ca 0.82 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 57.04 3aek s PHE 231 Cb -0.37 -0.91 -0.10 0.00 -0.63 0.00 0.00 43.02 41.02 3aek s PHE 231 CO 0.39 0.06 1.31 0.95 -0.05 0.00 0.00 175.22 177.89 3aek s THR 232 N -0.81 2.88 -0.66 -4.49 -4.23 -0.55 -4.93 115.64 102.85 3aek s THR 232 Ca 0.05 0.82 0.22 0.00 -1.18 0.00 0.00 61.69 61.60 3aek s THR 232 Cb -0.08 -3.52 -0.23 0.00 1.34 0.00 0.00 72.50 70.01 3aek s THR 232 CO 0.01 0.17 0.84 0.29 -0.54 0.00 0.00 174.62 175.39 3aek n LYS 233 N 1.51 0.23 -3.85 3.99 4.76 -1.26 -4.08 118.16 119.45 3aek n LYS 233 Ca 0.02 -0.05 -0.36 0.00 -2.87 0.00 0.00 58.31 55.06 3aek n LYS 233 Cb 0.42 -1.53 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 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 -3.18 4.82 -0.32 -0.18 1.01 -1.26 -5.07 121.20 117.02 3aek s ILE 234 Ca 0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 3aek s ILE 234 Cb 0.15 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.39 3aek s ILE 234 CO 0.86 0.39 0.51 -0.69 0.00 0.00 0.00 174.94 176.02 3aek s VAL 235 N 0.90 5.03 -1.04 2.92 1.01 -1.26 -4.77 120.40 123.19 3aek s VAL 235 Ca 0.05 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 3aek s VAL 235 Cb -0.14 -3.92 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 3aek s VAL 235 CO 0.03 -0.12 2.21 -0.81 0.00 0.00 0.00 175.10 176.41 3aek n PRO 236 N 5.68 2.27 -3.96 2.72 -0.04 -1.26 -4.69 135.00 135.73 3aek n PRO 236 Ca -0.05 -1.74 -0.34 0.00 -0.04 0.00 0.00 63.50 61.33 3aek n PRO 236 Cb 0.49 -2.67 -0.14 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.54 2.90 0.00 0.52 1.01 -1.26 -0.63 121.20 127.27 3aek s ILE 237 Ca 0.48 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3aek s ILE 237 Cb 0.13 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.16 3aek s ILE 237 CO -0.01 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3aek n GLY 238 N 4.69 2.57 0.06 6.18 0.00 -1.26 -4.49 105.19 112.94 3aek n GLY 238 Ca -0.17 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 1.38 0.09 1.61 2.07 -1.94 -1.65 116.25 117.81 3aek h VAL 239 Ca 0.00 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3aek h VAL 239 Cb 0.00 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3aek h VAL 239 CO 0.00 0.30 -0.19 1.23 0.02 0.00 0.00 177.57 178.93 3aek h GLY 240 N -0.43 -0.34 1.41 2.17 0.00 -1.99 -1.22 103.07 102.68 3aek h GLY 240 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3aek h GLY 240 CO 0.00 -0.18 0.31 0.00 0.00 0.00 0.00 176.54 176.68 3aek h ALA 241 N 0.47 1.48 -0.68 3.60 0.00 -1.79 0.01 119.26 122.35 3aek h ALA 241 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3aek h ALA 241 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3aek h ALA 241 CO -0.12 0.43 0.21 1.15 0.00 0.00 0.00 179.25 180.93 3aek h THR 242 N 0.79 1.25 -0.38 0.00 2.02 -1.10 0.65 112.91 116.15 3aek h THR 242 Ca 0.20 -0.87 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 3aek h THR 242 Cb 0.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3aek h THR 242 CO -0.03 0.34 -0.01 0.03 0.37 0.00 0.00 175.52 176.22 3aek h ARG 243 N 0.99 0.67 -0.76 6.66 3.08 -0.45 -1.55 114.38 123.01 3aek h ARG 243 Ca 0.22 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3aek h ARG 243 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3aek h ARG 243 CO -0.01 0.78 0.35 -0.44 -1.07 0.00 0.00 179.97 179.58 3aek h ASP 244 N 0.49 1.01 -0.31 7.04 3.32 -0.94 -0.78 116.42 126.25 3aek h ASP 244 Ca 0.11 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3aek h ASP 244 Cb 0.48 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3aek h ASP 244 CO 0.02 0.87 0.05 0.15 -1.72 0.00 0.00 179.24 178.62 3aek h PHE 245 N 1.08 0.08 -0.42 4.55 3.57 -0.75 0.11 116.94 125.16 3aek h PHE 245 Ca 0.26 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 3aek h PHE 245 Cb 0.15 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3aek h PHE 245 CO 0.01 0.01 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.90 3aek h LEU 246 N 0.16 0.77 -0.93 0.59 3.38 -1.01 0.28 115.31 118.54 3aek h LEU 246 Ca 0.14 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3aek h LEU 246 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3aek h LEU 246 CO -0.20 0.92 0.09 0.00 0.09 0.00 0.00 178.44 179.34 3aek h ALA 247 N 1.15 1.13 -0.08 1.53 0.00 -0.92 0.06 119.26 122.12 3aek h ALA 247 Ca 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3aek h ALA 247 Cb 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3aek h ALA 247 CO 0.04 0.58 0.03 1.49 0.00 0.00 0.00 179.25 181.39 3aek h GLU 248 N 0.83 0.13 -0.90 0.00 4.81 -0.22 -1.80 114.58 117.42 3aek h GLU 248 Ca 0.17 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3aek h GLU 248 Cb 0.37 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3aek h GLU 248 CO 0.01 0.25 0.58 0.28 -0.73 0.00 0.00 179.01 179.40 3aek h VAL 249 N -0.03 1.13 -0.83 0.32 2.07 -0.83 -1.55 116.25 116.53 3aek h VAL 249 Ca 0.03 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.21 3aek h VAL 249 Cb 0.17 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 3aek h VAL 249 CO -0.00 0.20 0.53 -1.28 0.02 0.00 0.00 177.57 177.04 3aek h SER 250 N 1.12 0.86 -0.38 0.57 0.87 -0.79 -1.45 113.55 114.34 3aek h SER 250 Ca 0.37 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.78 3aek h SER 250 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3aek h SER 250 CO -0.13 0.58 -0.34 0.50 -0.53 0.00 0.00 176.83 176.91 3aek h LYS 251 N 1.01 0.91 -0.96 2.24 3.64 -0.79 0.49 116.57 123.10 3aek h LYS 251 Ca 0.34 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3aek h LYS 251 Cb 0.06 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3aek h LYS 251 CO -0.13 1.11 0.59 0.82 -2.27 0.00 0.00 179.45 179.58 3aek h ILE 252 N 0.72 1.26 0.00 2.00 2.04 -0.99 -3.35 117.51 119.19 3aek h ILE 252 Ca 0.07 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 3aek h ILE 252 Cb 0.93 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3aek h ILE 252 CO 0.09 0.27 -1.81 0.35 0.00 0.00 0.00 178.15 177.05 3aek n THR 253 N -4.36 0.53 -0.82 -0.27 -2.24 -0.57 -5.01 114.28 101.54 3aek n THR 253 Ca 0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3aek n THR 253 Cb 0.05 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.97 0.63 3.83 3.38 0.00 0.17 -5.05 105.19 110.12 3aek n GLY 254 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 4.45 0.54 0.99 1.43 -1.22 -5.04 118.68 119.83 3aek s LEU 255 Ca 0.00 1.17 -0.21 0.00 -1.03 0.00 0.00 54.13 54.06 3aek s LEU 255 Cb 0.00 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.15 3aek s LEU 255 CO 0.00 0.21 1.26 -2.16 0.23 0.00 0.00 176.35 175.89 3aek s PRO 256 N -1.45 3.25 -0.11 1.29 0.04 -1.26 -4.44 135.00 132.32 3aek s PRO 256 Ca 0.32 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 3aek s PRO 256 Cb -0.17 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 3aek s PRO 256 CO 0.19 -1.03 1.33 0.54 0.04 0.00 0.00 177.00 178.06 3aek s VAL 257 N -1.45 4.10 -0.07 -0.36 0.11 -1.26 -4.93 120.40 116.55 3aek s VAL 257 Ca 0.71 1.37 0.05 0.00 -2.93 0.00 0.00 61.98 61.19 3aek s VAL 257 Cb -0.34 -3.88 -0.01 0.00 -1.53 0.00 0.00 36.38 30.61 3aek s VAL 257 CO 0.40 -0.08 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.17 3aek s VAL 258 N 3.20 2.24 0.06 2.04 1.01 -1.26 -5.11 120.40 122.59 3aek s VAL 258 Ca 0.59 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3aek s VAL 258 Cb -0.25 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3aek s VAL 258 CO 0.20 0.57 -0.16 0.42 0.00 0.00 0.00 175.10 176.12 3aek s THR 259 N -0.11 1.30 -0.40 3.92 -4.23 -1.26 -4.36 115.64 110.50 3aek s THR 259 Ca -0.05 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.15 3aek s THR 259 Cb -0.14 -1.20 0.07 0.00 1.34 0.00 0.00 72.50 72.58 3aek s THR 259 CO 0.04 -0.06 0.21 -0.62 -0.54 0.00 0.00 174.62 173.65 3aek s ASP 260 N -1.51 5.50 -0.20 3.99 -1.08 -1.26 -4.96 116.67 117.15 3aek s ASP 260 Ca 0.02 -1.50 0.16 0.00 -0.52 0.00 0.00 52.55 50.71 3aek s ASP 260 Cb -0.09 -1.93 0.63 0.00 -1.46 0.00 0.00 42.92 40.07 3aek s ASP 260 CO 0.02 -0.49 1.54 -0.62 0.52 0.00 0.00 175.17 176.14 3aek n GLU 261 N 4.84 3.62 0.29 4.34 1.02 -1.26 -4.65 120.64 128.85 3aek n GLU 261 Ca -0.10 -2.95 0.16 0.00 -0.02 0.00 0.00 57.16 54.25 3aek n GLU 261 Cb 0.43 -1.99 0.86 0.00 -0.02 0.00 0.00 31.44 30.72 3aek n GLU 261 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3aek h SER 262 N 2.60 0.00 -0.03 1.62 4.64 -2.05 -2.79 113.55 117.54 3aek h SER 262 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3aek h SER 262 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3aek h SER 262 CO 0.31 0.06 0.00 0.35 -0.87 0.00 0.00 176.83 176.68 3aek n THR 263 N -3.45 1.47 -2.36 2.95 -2.24 -1.26 -4.98 114.28 104.41 3aek n THR 263 Ca -0.02 -1.63 -0.42 0.00 -2.27 0.00 0.00 64.05 59.71 3aek n THR 263 Cb 0.19 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3aek n THR 263 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3aek s LEU 264 N -1.96 3.47 -0.01 3.22 0.20 -1.05 -4.84 118.68 117.71 3aek s LEU 264 Ca 0.18 0.51 0.05 0.00 0.69 0.00 0.00 54.13 55.56 3aek s LEU 264 Cb 0.15 -3.24 -0.07 0.00 -0.43 0.00 0.00 46.19 42.60 3aek s LEU 264 CO 0.02 -1.62 0.12 0.54 -0.29 0.00 0.00 176.35 175.13 3aek n ARG 265 N 8.44 1.14 -0.13 1.98 1.74 -1.26 -4.72 116.66 123.84 3aek n ARG 265 Ca 0.14 -0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3aek n ARG 265 Cb 0.49 -1.04 0.04 0.00 -1.02 0.00 0.00 32.46 30.93 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 0.19 -0.81 5.56 -0.00 -1.88 -1.19 115.11 116.98 3aek h GLN 266 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.68 3aek h GLN 266 Cb 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 27.59 3aek h GLN 266 CO 0.00 0.13 0.51 -1.35 0.00 0.00 0.00 178.83 178.12 3aek h PRO 267 N 0.20 0.95 -0.27 -2.39 0.11 -1.94 -0.17 132.00 128.48 3aek h PRO 267 Ca 0.21 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.11 3aek h PRO 267 Cb 0.27 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3aek h PRO 267 CO -0.29 0.63 -0.42 2.35 -0.21 0.00 0.00 178.00 180.05 3aek h TRP 268 N 0.98 0.95 -0.72 0.65 2.91 -1.82 -0.09 115.95 118.81 3aek h TRP 268 Ca 0.33 -0.32 0.13 0.00 1.13 0.00 0.00 58.89 60.16 3aek h TRP 268 Cb 0.06 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 28.43 3aek h TRP 268 CO -0.03 1.12 0.29 -1.49 -1.03 0.00 0.00 178.44 177.29 3aek h TRP 269 N 0.52 0.50 0.00 2.65 6.55 -0.88 0.14 115.95 125.43 3aek h TRP 269 Ca 0.02 0.03 -0.14 0.00 0.95 0.00 0.00 58.89 59.75 3aek h TRP 269 Cb 1.02 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 29.19 3aek h TRP 269 CO 0.08 0.08 -0.69 1.03 -1.05 0.00 0.00 178.44 177.89 3aek h SER 270 N 0.45 0.00 1.34 -3.49 0.87 -0.89 -3.22 113.55 108.61 3aek h SER 270 Ca 0.39 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.84 3aek h SER 270 Cb 0.56 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 3aek h SER 270 CO -0.38 0.69 -0.68 0.00 -0.53 0.00 0.00 176.83 175.93 3aek h ALA 271 N 1.31 0.68 -2.83 6.23 0.00 -0.41 -3.44 119.26 120.80 3aek h ALA 271 Ca -0.01 -0.50 -0.54 0.00 0.00 0.00 0.00 54.91 53.87 3aek h ALA 271 Cb 1.31 -0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.24 3aek h ALA 271 CO 0.09 0.63 0.45 -1.54 0.00 0.00 0.00 179.25 178.88 3aek s SER 272 N -6.27 4.60 0.60 0.00 1.04 0.44 -4.91 113.70 109.21 3aek s SER 272 Ca 0.03 2.42 0.39 0.00 0.48 0.00 0.00 55.95 59.27 3aek s SER 272 Cb 0.08 -2.60 1.86 0.00 0.10 0.00 0.00 66.02 65.46 3aek s SER 272 CO 0.76 -1.99 2.16 -0.37 0.98 0.00 0.00 173.24 174.78 3aek h VAL 273 N 0.26 0.00 -0.85 5.02 -1.51 -1.90 -1.00 116.25 116.27 3aek h VAL 273 Ca -0.49 -0.27 0.22 0.00 -1.23 0.00 0.00 66.70 64.92 3aek h VAL 273 Cb 1.31 1.27 -0.05 0.00 -2.13 0.00 0.00 31.29 31.68 3aek h VAL 273 CO 0.52 0.00 0.59 0.44 -1.23 0.00 0.00 177.57 177.89 3aek h ASP 274 N 0.00 0.20 0.02 4.19 3.32 -1.91 -2.82 116.42 119.43 3aek h ASP 274 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3aek h ASP 274 Cb 0.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3aek h ASP 274 CO 0.00 0.08 -0.11 -1.20 -1.72 0.00 0.00 179.24 176.29 3aek n SER 275 N -4.40 1.96 0.27 6.45 7.64 -0.38 -4.43 113.62 120.72 3aek n SER 275 Ca 0.18 -1.55 0.14 0.00 1.01 0.00 0.00 58.87 58.64 3aek n SER 275 Cb 0.79 0.09 0.74 0.00 -1.01 0.00 0.00 64.21 64.81 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 2.90 0.44 0.00 0.44 1.35 -1.62 -0.82 112.91 115.60 3aek h THR 276 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3aek h THR 276 Cb 0.69 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3aek h THR 276 CO 0.00 0.10 0.00 0.10 -0.25 0.00 0.00 175.52 175.47 3aek h TYR 277 N 0.00 0.00 0.00 4.73 -0.00 -1.82 -2.63 116.97 117.25 3aek h TYR 277 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3aek h TYR 277 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.10 3aek h TYR 277 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3aek n LEU 278 N -2.52 0.00 -4.66 0.10 4.77 -0.31 -4.76 117.00 109.61 3aek n LEU 278 Ca 0.00 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.04 3aek n LEU 278 Cb 0.19 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3aek n LEU 278 CO 0.19 -0.04 1.37 -0.89 -1.33 0.00 0.00 177.39 176.69 3aek s THR 279 N -2.95 3.49 0.00 -5.08 2.01 -0.99 -2.77 115.64 109.35 3aek s THR 279 Ca 0.14 0.65 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3aek s THR 279 Cb 0.18 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3aek s THR 279 CO 0.48 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 3aek n GLY 280 N 4.13 0.64 3.72 4.40 0.00 0.02 -4.97 105.19 113.12 3aek n GLY 280 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3aek n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aek s LYS 281 N -0.08 4.17 -0.25 1.61 1.02 -1.12 -4.13 119.74 120.97 3aek s LYS 281 Ca 0.00 2.48 -0.28 0.00 0.02 0.00 0.00 55.97 58.19 3aek s LYS 281 Cb 0.00 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.14 3aek s LYS 281 CO 0.00 -0.69 1.02 1.03 -0.92 0.00 0.00 175.35 175.79 3aek s ARG 282 N 1.35 4.22 -0.11 1.68 0.52 -1.26 -1.08 118.95 124.26 3aek s ARG 282 Ca 0.73 1.26 0.03 0.00 -0.52 0.00 0.00 55.73 57.23 3aek s ARG 282 Cb -0.46 -3.66 -0.00 0.00 0.52 0.00 0.00 34.95 31.35 3aek s ARG 282 CO 0.32 -0.66 -0.21 0.54 0.02 0.00 0.00 175.30 175.31 3aek s VAL 283 N 3.23 2.35 -0.16 3.52 0.11 0.17 0.13 120.40 129.75 3aek s VAL 283 Ca 0.43 -0.91 -0.11 0.00 -2.93 0.00 0.00 61.98 58.46 3aek s VAL 283 Cb -0.15 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 3aek s VAL 283 CO 0.08 0.55 0.20 0.12 -3.33 0.00 0.00 175.10 172.72 3aek s PHE 284 N 0.41 3.47 -0.12 1.54 5.36 -0.23 -1.00 117.98 127.43 3aek s PHE 284 Ca -0.15 0.49 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 3aek s PHE 284 Cb -0.17 -2.20 0.01 0.00 -0.34 0.00 0.00 43.02 40.32 3aek s PHE 284 CO 0.07 0.36 -0.17 0.42 -1.46 0.00 0.00 175.22 174.43 3aek s ILE 285 N 0.12 1.66 0.09 3.12 1.01 -0.38 0.03 121.20 126.84 3aek s ILE 285 Ca 0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3aek s ILE 285 Cb -0.12 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 3aek s ILE 285 CO 0.02 0.47 0.13 0.12 0.00 0.00 0.00 174.94 175.68 3aek s PHE 286 N 0.95 0.32 -5.00 3.97 2.19 0.50 -1.76 117.98 119.15 3aek s PHE 286 Ca -0.07 -0.77 0.00 0.00 0.33 0.00 0.00 56.93 56.42 3aek s PHE 286 Cb -0.15 -0.18 0.00 0.00 -1.31 0.00 0.00 43.02 41.38 3aek s PHE 286 CO -0.02 -0.51 0.00 0.41 1.83 0.00 0.00 175.22 176.93 3aek n GLY 287 N -0.03 0.67 3.84 13.12 0.00 -1.22 -3.91 105.19 117.67 3aek n GLY 287 Ca -0.14 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 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 6.12 0.19 1.61 3.84 -1.26 -2.29 116.67 120.88 3aek s ASP 288 Ca 0.00 1.58 -0.13 0.00 -0.00 0.00 0.00 52.55 54.00 3aek s ASP 288 Cb 0.00 -2.50 0.21 0.00 -1.38 0.00 0.00 42.92 39.25 3aek s ASP 288 CO 0.00 -0.93 1.69 1.23 -0.00 0.00 0.00 175.17 177.16 3aek h GLY 289 N 0.17 0.56 0.63 2.12 0.00 -1.89 -1.51 103.07 103.16 3aek h GLY 289 Ca -0.45 0.04 0.04 0.00 0.00 0.00 0.00 47.33 46.95 3aek h GLY 289 CO 0.60 -0.12 0.04 -0.84 0.00 0.00 0.00 176.54 176.21 3aek h THR 290 N 0.16 0.84 -0.00 4.70 2.02 -1.93 -1.44 112.91 117.25 3aek h THR 290 Ca 0.26 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.22 3aek h THR 290 Cb 0.39 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3aek h THR 290 CO -0.40 0.03 -0.79 0.45 0.37 0.00 0.00 175.52 175.18 3aek h HIS 291 N 0.14 0.07 -0.17 3.16 3.86 -1.82 -2.58 115.15 117.82 3aek h HIS 291 Ca 0.13 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 3aek h HIS 291 Cb 0.15 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 3aek h HIS 291 CO -0.18 0.82 -0.16 0.28 0.86 0.00 0.00 177.93 179.54 3aek h VAL 292 N 0.03 1.34 -0.17 2.45 2.07 -1.13 -0.97 116.25 119.87 3aek h VAL 292 Ca -0.02 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.20 3aek h VAL 292 Cb 1.39 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 3aek h VAL 292 CO 0.11 0.39 0.06 0.40 0.02 0.00 0.00 177.57 178.55 3aek h ILE 293 N 0.05 0.96 -0.42 4.57 2.04 -1.30 -1.43 117.51 121.98 3aek h ILE 293 Ca 0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3aek h ILE 293 Cb 0.70 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3aek h ILE 293 CO 0.04 0.03 0.22 0.00 0.00 0.00 0.00 178.15 178.44 3aek h ALA 294 N 1.11 0.54 -0.81 1.87 0.00 -1.47 -3.00 119.26 117.49 3aek h ALA 294 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3aek h ALA 294 Cb 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3aek h ALA 294 CO -0.08 0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.62 3aek h ALA 295 N 1.07 1.13 -0.79 0.00 0.00 -0.99 -2.75 119.26 116.94 3aek h ALA 295 Ca 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3aek h ALA 295 Cb 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3aek h ALA 295 CO -0.02 0.65 0.42 0.00 0.00 0.00 0.00 179.25 180.30 3aek h ALA 296 N 1.25 1.01 -0.34 0.00 0.00 -1.13 0.14 119.26 120.20 3aek h ALA 296 Ca 0.28 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3aek h ALA 296 Cb 0.13 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3aek h ALA 296 CO -0.03 0.53 0.02 -0.09 0.00 0.00 0.00 179.25 179.68 3aek h ARG 297 N 1.10 0.58 -0.00 0.00 2.43 -1.43 -0.72 114.38 116.33 3aek h ARG 297 Ca 0.28 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3aek h ARG 297 Cb 0.05 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3aek h ARG 297 CO -0.04 0.69 0.00 0.82 -1.51 0.00 0.00 179.97 179.93 3aek h ILE 298 N 0.39 1.05 -0.28 1.20 2.04 -1.30 0.39 117.51 121.01 3aek h ILE 298 Ca 0.10 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3aek h ILE 298 Cb 0.41 1.16 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 3aek h ILE 298 CO 0.01 0.04 -0.30 0.00 0.00 0.00 0.00 178.15 177.90 3aek h ALA 299 N 0.93 -0.23 0.05 1.87 0.00 -0.64 0.60 119.26 121.85 3aek h ALA 299 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3aek h ALA 299 Cb 0.07 0.63 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3aek h ALA 299 CO -0.00 -0.73 -0.62 0.00 0.00 0.00 0.00 179.25 177.90 3aek h ALA 300 N 0.67 0.01 0.00 0.00 0.00 -1.07 0.28 119.26 119.15 3aek h ALA 300 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3aek h ALA 300 Cb 0.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3aek h ALA 300 CO -0.44 0.32 -1.30 1.63 0.00 0.00 0.00 179.25 179.45 3aek n LYS 301 N -4.23 0.96 -0.02 0.00 5.02 0.12 -3.81 118.16 116.20 3aek n LYS 301 Ca -0.11 -0.08 -0.03 0.00 -2.02 0.00 0.00 58.31 56.07 3aek n LYS 301 Cb 0.70 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.75 1.76 -0.05 1.97 1.02 -0.45 -4.79 120.64 118.34 3aek n GLU 302 Ca -0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 3aek n GLU 302 Cb 0.36 -1.11 -0.12 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.40 0.61 -0.58 2.62 0.31 0.08 -4.87 118.33 114.10 3aek n VAL 303 Ca -0.08 -0.52 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 3aek n VAL 303 Cb 0.62 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 1.92 0.65 3.78 2.92 0.00 -0.19 -4.67 105.19 109.60 3aek n GLY 304 Ca -0.16 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.96 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 2.74 -0.32 1.61 0.08 0.82 -0.80 117.98 120.10 3aek s PHE 305 Ca 0.00 1.53 -0.17 0.00 0.12 0.00 0.00 56.93 58.40 3aek s PHE 305 Cb 0.00 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.39 3aek s PHE 305 CO 0.00 -1.58 0.48 -2.00 -0.10 0.00 0.00 175.22 172.02 3aek s GLU 306 N -4.58 3.75 -0.16 0.44 2.12 -0.24 -4.12 118.70 115.91 3aek s GLU 306 Ca 0.63 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 3aek s GLU 306 Cb -0.17 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.45 3aek s GLU 306 CO 0.49 -0.53 1.12 0.08 -0.54 0.00 0.00 175.26 175.88 3aek s VAL 307 N 2.30 4.53 -0.13 3.70 1.01 -1.26 -0.65 120.40 129.89 3aek s VAL 307 Ca 0.18 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.01 3aek s VAL 307 Cb -0.16 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.03 3aek s VAL 307 CO 0.12 -0.10 0.19 0.55 0.00 0.00 0.00 175.10 175.86 3aek n VAL 308 N 5.07 0.00 -3.63 2.92 3.14 -0.17 -4.90 118.33 120.77 3aek n VAL 308 Ca 0.12 -0.47 -0.12 0.00 -2.96 0.00 0.00 64.34 60.91 3aek n VAL 308 Cb 0.46 1.01 -0.07 0.00 -1.06 0.00 0.00 33.84 34.18 3aek n VAL 308 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 3aek s GLY 309 N -0.93 -0.35 -0.06 7.55 0.00 -1.22 -4.93 107.32 107.38 3aek s GLY 309 Ca 0.01 2.31 -0.03 0.00 0.00 0.00 0.00 44.72 47.01 3aek s GLY 309 CO 0.06 1.75 0.14 1.06 0.00 0.00 0.00 173.10 176.12 3aek s MET 310 N 0.23 0.10 0.20 2.90 -1.94 -1.26 -1.25 119.30 118.28 3aek s MET 310 Ca 0.01 0.34 -0.23 0.00 -1.71 0.00 0.00 55.69 54.10 3aek s MET 310 Cb -0.05 -0.15 0.05 0.00 2.01 0.00 0.00 34.83 36.70 3aek s MET 310 CO -0.02 -0.14 0.75 0.20 -0.01 0.00 0.00 175.02 175.79 3aek s GLY 311 N 1.01 -0.30 0.05 -0.03 0.00 -0.72 -0.75 107.32 106.58 3aek s GLY 311 Ca -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 44.72 44.74 3aek s GLY 311 CO -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 173.10 173.08 3aek n TYR 313 N 0.26 0.24 -3.45 0.00 4.11 -0.97 -2.78 117.16 114.57 3aek n TYR 313 Ca -0.15 0.07 -0.43 0.00 -0.00 0.00 0.00 57.90 57.39 3aek n TYR 313 Cb 0.60 -0.43 -0.09 0.00 -0.00 0.00 0.00 39.34 39.43 3aek n TYR 313 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3aek s ASN 314 N -3.99 6.01 0.00 9.48 4.22 -1.26 -4.33 114.94 125.07 3aek s ASN 314 Ca 0.02 -1.29 0.23 0.00 -2.14 0.00 0.00 52.86 49.68 3aek s ASN 314 Cb 0.14 -2.13 1.35 0.00 1.28 0.00 0.00 41.25 41.89 3aek s ASN 314 CO 0.82 -0.58 1.73 -2.11 -2.04 0.00 0.00 177.10 174.92 3aek n ARG 315 N 5.13 0.70 0.26 3.55 1.85 -1.26 -1.69 116.66 125.20 3aek n ARG 315 Ca -0.12 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.87 3aek n ARG 315 Cb 0.44 -1.50 0.69 0.00 -1.05 0.00 0.00 32.46 31.04 3aek n ARG 315 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3aek h GLU 316 N 0.00 0.00 -0.37 2.89 5.08 -2.00 -2.83 114.58 117.35 3aek h GLU 316 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3aek h GLU 316 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3aek h GLU 316 CO 0.00 0.11 0.00 -1.33 -1.00 0.00 0.00 179.01 176.79 3aek n MET 317 N -3.39 3.09 -0.23 2.33 2.81 -0.68 -4.70 117.12 116.35 3aek n MET 317 Ca -0.01 -2.55 -0.07 0.00 -1.81 0.00 0.00 57.70 53.27 3aek n MET 317 Cb 0.29 -1.64 0.04 0.00 -0.71 0.00 0.00 33.22 31.20 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 2.33 0.83 0.62 3.04 0.00 -1.62 -2.39 119.26 122.07 3aek h ALA 318 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3aek h ALA 318 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3aek h ALA 318 CO 0.14 0.42 -0.44 0.00 0.00 0.00 0.00 179.25 179.38 3aek h ARG 319 N 0.89 -0.97 0.00 0.00 3.08 -1.84 -0.06 114.38 115.48 3aek h ARG 319 Ca 0.22 0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3aek h ARG 319 Cb 0.16 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 3aek h ARG 319 CO -0.02 -0.65 -0.03 -1.00 -1.07 0.00 0.00 179.97 177.21 3aek h PRO 320 N -1.01 0.00 -0.19 0.04 0.13 -1.92 -2.06 132.00 127.00 3aek h PRO 320 Ca -0.08 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 3aek h PRO 320 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3aek h PRO 320 CO 0.05 0.03 -0.33 1.25 -0.23 0.00 0.00 178.00 178.76 3aek h LEU 321 N 0.00 0.62 -0.94 1.56 5.85 -1.21 -0.07 115.31 121.12 3aek h LEU 321 Ca -0.00 -0.54 0.07 0.00 0.84 0.00 0.00 57.88 58.25 3aek h LEU 321 Cb 0.05 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 3aek h LEU 321 CO 0.00 1.04 0.60 0.03 -0.34 0.00 0.00 178.44 179.77 3aek h ARG 322 N 0.22 1.04 -0.41 1.25 3.08 -0.76 0.27 114.38 119.07 3aek h ARG 322 Ca 0.01 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3aek h ARG 322 Cb 0.93 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3aek h ARG 322 CO 0.08 0.69 0.02 1.15 -1.07 0.00 0.00 179.97 180.84 3aek h THR 323 N 1.08 1.25 -0.14 2.04 2.02 -1.25 -2.58 112.91 115.33 3aek h THR 323 Ca 0.41 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3aek h THR 323 Cb 0.18 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3aek h THR 323 CO -0.18 0.33 -0.00 0.00 0.37 0.00 0.00 175.52 176.04 3aek h ALA 324 N 0.90 0.19 -0.94 6.16 0.00 -0.62 -3.24 119.26 121.71 3aek h ALA 324 Ca 0.12 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 324 Cb 0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3aek h ALA 324 CO 0.02 -0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.77 3aek h ALA 325 N 0.76 1.50 -0.65 0.00 0.00 -0.44 -2.28 119.26 118.14 3aek h ALA 325 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3aek h ALA 325 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3aek h ALA 325 CO 0.01 0.35 0.43 0.00 0.00 0.00 0.00 179.25 180.04 3aek h ALA 326 N 1.50 1.57 -0.12 0.00 0.00 -1.40 -0.91 119.26 119.89 3aek h ALA 326 Ca 0.41 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3aek h ALA 326 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3aek h ALA 326 CO -0.17 0.39 0.17 0.93 0.00 0.00 0.00 179.25 180.57 3aek h GLU 327 N 0.85 0.00 -0.03 0.00 5.08 -1.46 -1.37 114.58 117.65 3aek h GLU 327 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3aek h GLU 327 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3aek h GLU 327 CO -0.06 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.61 3aek n TYR 328 N -3.65 0.01 -1.80 4.33 4.02 -0.42 -4.95 117.16 114.70 3aek n TYR 328 Ca 0.00 -0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 3aek n TYR 328 Cb 0.27 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.59 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 1.25 0.35 3.36 2.72 0.00 -0.51 -5.02 105.19 107.33 3aek n GLY 329 Ca 0.13 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.45 2.29 -0.09 0.99 1.02 -0.78 -5.00 118.68 116.67 3aek s LEU 330 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 54.13 53.30 3aek s LEU 330 Cb 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 46.19 45.01 3aek s LEU 330 CO 0.00 0.17 0.34 -0.70 0.02 0.00 0.00 176.35 176.17 3aek s GLU 331 N -1.91 4.01 0.26 1.70 2.12 -1.26 -3.13 118.70 120.49 3aek s GLU 331 Ca 0.12 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.38 3aek s GLU 331 Cb -0.10 -3.31 -0.09 0.00 0.26 0.00 0.00 34.13 30.88 3aek s GLU 331 CO 0.05 0.49 1.24 0.00 -0.54 0.00 0.00 175.26 176.50 3aek s ALA 332 N -0.34 3.48 -0.45 6.30 0.00 -1.26 -4.67 121.76 124.81 3aek s ALA 332 Ca 0.20 1.09 -0.21 0.00 0.00 0.00 0.00 51.96 53.04 3aek s ALA 332 Cb -0.15 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.57 3aek s ALA 332 CO 0.08 -0.45 0.66 -1.17 0.00 0.00 0.00 175.76 174.88 3aek s LEU 333 N -1.05 4.51 -0.34 0.00 0.20 0.07 -4.98 118.68 117.09 3aek s LEU 333 Ca 0.50 -0.38 -0.06 0.00 0.69 0.00 0.00 54.13 54.88 3aek s LEU 333 Cb -0.36 -2.72 0.04 0.00 -0.43 0.00 0.00 46.19 42.72 3aek s LEU 333 CO 0.44 -0.81 0.11 -0.63 -0.29 0.00 0.00 176.35 175.17 3aek s ILE 334 N 2.87 3.80 -0.11 6.68 -1.09 -1.26 -1.63 121.20 130.45 3aek s ILE 334 Ca 0.23 -1.15 -0.30 0.00 -2.23 0.00 0.00 60.65 57.19 3aek s ILE 334 Cb -0.14 -3.16 0.09 0.00 -1.58 0.00 0.00 42.46 37.67 3aek s ILE 334 CO 0.19 -0.20 0.81 0.28 -1.23 0.00 0.00 174.94 174.79 3aek s THR 335 N 1.40 0.00 -1.63 2.92 -1.32 -1.12 -5.03 115.64 110.87 3aek s THR 335 Ca -0.01 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.63 3aek s THR 335 Cb -0.20 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.12 3aek s THR 335 CO 0.03 0.00 1.23 -0.90 -2.21 0.00 0.00 174.62 172.77 3aek n ASP 336 N 1.01 2.97 -4.48 8.08 5.75 -1.26 -3.81 116.55 124.80 3aek n ASP 336 Ca -0.15 -1.87 -0.42 0.00 -0.01 0.00 0.00 54.79 52.33 3aek n ASP 336 Cb 0.57 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 40.35 3aek n ASP 336 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3aek s ASP 337 N -1.14 6.10 0.44 -1.12 2.15 -1.26 -4.56 116.67 117.28 3aek s ASP 337 Ca 0.28 -0.74 0.12 0.00 0.43 0.00 0.00 52.55 52.64 3aek s ASP 337 Cb 0.16 -2.16 0.98 0.00 -0.30 0.00 0.00 42.92 41.61 3aek s ASP 337 CO 0.22 -0.39 2.04 0.10 -0.17 0.00 0.00 175.17 176.96 3aek h TYR 338 N 8.59 0.21 -0.45 -5.34 -0.00 -1.92 -1.89 116.97 116.17 3aek h TYR 338 Ca -0.28 -0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.41 3aek h TYR 338 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 36.73 37.77 3aek h TYR 338 CO 0.59 0.22 0.14 -0.07 -0.00 0.00 0.00 178.16 179.04 3aek h LEU 339 N 0.21 0.60 -0.49 0.10 3.38 -1.98 0.67 115.31 117.79 3aek h LEU 339 Ca 0.05 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 3aek h LEU 339 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3aek h LEU 339 CO 0.00 0.57 -0.38 -0.08 0.09 0.00 0.00 178.44 178.65 3aek h GLU 340 N 0.64 0.82 -0.58 1.13 4.81 -1.78 -1.55 114.58 118.08 3aek h GLU 340 Ca 0.15 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3aek h GLU 340 Cb 0.19 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3aek h GLU 340 CO -0.01 1.06 0.21 0.28 -0.73 0.00 0.00 179.01 179.82 3aek h VAL 341 N 0.68 1.23 -0.71 0.32 2.07 -1.11 -1.62 116.25 117.11 3aek h VAL 341 Ca 0.06 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3aek h VAL 341 Cb 0.94 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3aek h VAL 341 CO 0.09 0.29 0.40 -0.08 0.02 0.00 0.00 177.57 178.29 3aek h GLU 342 N 0.81 0.98 -0.58 1.57 4.81 -0.77 -0.17 114.58 121.23 3aek h GLU 342 Ca 0.19 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3aek h GLU 342 Cb 0.24 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3aek h GLU 342 CO -0.01 0.73 0.20 0.87 -0.73 0.00 0.00 179.01 180.06 3aek h LYS 343 N 0.97 0.89 -0.54 1.92 1.57 -1.08 -1.76 116.57 118.54 3aek h LYS 343 Ca 0.25 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 3aek h LYS 343 Cb 0.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3aek h LYS 343 CO -0.04 0.79 -0.05 0.00 -0.57 0.00 0.00 179.45 179.58 3aek h ALA 344 N 1.06 0.73 0.17 3.86 0.00 -0.96 -1.29 119.26 122.83 3aek h ALA 344 Ca 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3aek h ALA 344 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3aek h ALA 344 CO -0.01 0.59 -0.08 0.82 0.00 0.00 0.00 179.25 180.57 3aek h ILE 345 N 0.86 0.85 -0.80 0.00 2.04 -0.96 -0.95 117.51 118.55 3aek h ILE 345 Ca 0.15 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.02 3aek h ILE 345 Cb 0.60 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 3aek h ILE 345 CO 0.04 0.02 0.45 -0.33 0.00 0.00 0.00 178.15 178.32 3aek h GLU 346 N -0.27 0.73 -0.38 2.37 5.08 -1.25 -0.41 114.58 120.45 3aek h GLU 346 Ca -0.02 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3aek h GLU 346 Cb 0.21 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3aek h GLU 346 CO 0.04 0.48 -0.19 0.00 -1.00 0.00 0.00 179.01 178.34 3aek h ALA 347 N 1.45 0.95 0.00 3.43 0.00 -1.07 -3.08 119.26 120.94 3aek h ALA 347 Ca 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3aek h ALA 347 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3aek h ALA 347 CO -0.25 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.47 3aek h ALA 348 N 1.15 0.92 -6.54 0.00 0.00 -0.62 -3.48 119.26 110.68 3aek h ALA 348 Ca 0.10 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.50 3aek h ALA 348 Cb 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3aek h ALA 348 CO 0.05 0.00 -0.94 0.00 0.00 0.00 0.00 179.25 178.36 3aek n ALA 349 N -1.90 -2.32 -1.69 0.00 0.00 -0.21 -4.93 120.51 109.45 3aek n ALA 349 Ca 0.05 -0.34 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 3aek n ALA 349 Cb 0.47 -2.59 0.09 0.00 0.00 0.00 0.00 19.45 17.42 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 -6.60 2.03 0.02 0.00 0.04 -1.26 -4.98 135.00 124.25 3aek s PRO 350 Ca 0.27 0.42 0.20 0.00 0.04 0.00 0.00 61.00 61.93 3aek s PRO 350 Cb -0.11 -1.93 -0.20 0.00 0.04 0.00 0.00 34.50 32.30 3aek s PRO 350 CO 0.91 -1.61 0.63 0.39 0.04 0.00 0.00 177.00 177.36 3aek n GLU 351 N -3.39 0.64 -3.88 4.56 1.02 0.12 -4.93 120.64 114.79 3aek n GLU 351 Ca 0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.09 3aek n GLU 351 Cb 0.58 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.21 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 -5.15 2.01 -0.16 -4.62 2.96 -0.57 -4.18 118.68 108.98 3aek s LEU 352 Ca -0.05 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 3aek s LEU 352 Cb 0.11 0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 3aek s LEU 352 CO 0.85 -0.03 -0.07 -0.63 -1.32 0.00 0.00 176.35 175.15 3aek s ILE 353 N -0.14 3.52 -0.24 6.68 1.01 -0.64 -1.06 121.20 130.32 3aek s ILE 353 Ca -0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3aek s ILE 353 Cb -0.01 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 3aek s ILE 353 CO -0.00 0.49 0.02 -0.76 0.00 0.00 0.00 174.94 174.69 3aek s LEU 354 N 0.54 3.25 0.00 2.97 1.43 0.10 -1.51 118.68 125.47 3aek s LEU 354 Ca -0.05 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3aek s LEU 354 Cb -0.15 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3aek s LEU 354 CO 0.03 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3aek n GLY 355 N 4.85 2.95 4.01 -3.19 0.00 -0.67 -0.37 105.19 112.77 3aek n GLY 355 Ca -0.17 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 3aek n GLY 355 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3aek s THR 356 N 0.31 2.69 0.47 2.61 2.01 -1.26 -0.33 115.64 122.14 3aek s THR 356 Ca 0.00 -0.94 0.21 0.00 0.31 0.00 0.00 61.69 61.26 3aek s THR 356 Cb 0.00 -2.75 0.39 0.00 0.01 0.00 0.00 72.50 70.15 3aek s THR 356 CO 0.00 0.00 1.93 -0.61 -0.69 0.00 0.00 174.62 175.25 3aek h GLN 357 N 0.40 0.23 -0.58 4.92 5.75 -1.65 -1.43 115.11 122.75 3aek h GLN 357 Ca -0.37 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.06 3aek h GLN 357 Cb 1.28 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 3aek h GLN 357 CO 0.44 0.15 0.15 1.98 -2.65 0.00 0.00 178.83 178.91 3aek h MET 358 N 0.24 0.93 0.00 1.69 4.05 -1.95 -2.69 114.93 117.20 3aek h MET 358 Ca 0.35 -0.22 -0.08 0.00 -0.28 0.00 0.00 59.70 59.48 3aek h MET 358 Cb 1.04 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 3aek h MET 358 CO -0.08 0.85 -0.38 0.93 0.23 0.00 0.00 176.91 178.46 3aek h GLU 359 N 0.84 0.00 -0.75 0.39 3.07 -1.70 -0.97 114.58 115.46 3aek h GLU 359 Ca 0.18 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.10 3aek h GLU 359 Cb 0.33 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 3aek h GLU 359 CO -0.00 0.38 0.45 0.00 -1.40 0.00 0.00 179.01 178.44 3aek h ARG 360 N 0.00 0.81 0.11 2.33 2.47 -0.98 0.77 114.38 119.89 3aek h ARG 360 Ca -0.00 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.39 3aek h ARG 360 Cb 0.73 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3aek h ARG 360 CO 0.05 0.53 -1.19 -0.91 0.56 0.00 0.00 179.97 179.01 3aek h ASN 361 N 0.83 0.63 -0.66 7.04 2.35 -1.16 -1.83 115.58 122.77 3aek h ASN 361 Ca 0.32 -0.60 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3aek h ASN 361 Cb 0.14 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 3aek h ASN 361 CO -0.16 1.43 0.38 0.40 -1.65 0.00 0.00 177.43 177.83 3aek h ILE 362 N 0.18 0.99 -0.76 2.81 2.04 -1.09 -1.46 117.51 120.21 3aek h ILE 362 Ca -0.15 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3aek h ILE 362 Cb 1.88 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3aek h ILE 362 CO 0.21 0.13 0.26 0.00 0.00 0.00 0.00 178.15 178.75 3aek h ALA 363 N 1.33 0.99 0.37 1.87 0.00 -0.79 -1.39 119.26 121.65 3aek h ALA 363 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3aek h ALA 363 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3aek h ALA 363 CO -0.17 0.65 -0.20 -0.22 0.00 0.00 0.00 179.25 179.32 3aek h LYS 364 N 1.11 -0.51 -0.87 0.00 3.64 -1.08 0.31 116.57 119.18 3aek h LYS 364 Ca 0.25 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.85 3aek h LYS 364 Cb 0.27 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.10 3aek h LYS 364 CO -0.01 -0.34 0.41 0.87 -2.27 0.00 0.00 179.45 178.11 3aek h LYS 365 N -0.53 0.49 -0.01 1.90 1.57 -1.02 -1.06 116.57 117.91 3aek h LYS 365 Ca -0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3aek h LYS 365 Cb 0.42 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3aek h LYS 365 CO 0.07 0.32 -0.14 1.28 -0.57 0.00 0.00 179.45 180.40 3aek n LEU 366 N -4.97 0.82 -2.40 2.94 4.77 -0.54 -4.94 117.00 112.69 3aek n LEU 366 Ca 0.20 -0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3aek n LEU 366 Cb 0.55 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3aek n LEU 366 CO 0.17 0.15 0.15 0.61 -1.33 0.00 0.00 177.39 177.13 3aek n GLY 367 N 1.27 0.03 3.30 -0.72 0.00 -0.22 -5.04 105.19 103.81 3aek n GLY 367 Ca 0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.84 2.08 0.35 0.99 1.43 0.94 -5.02 118.68 114.61 3aek s LEU 368 Ca 0.34 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 3aek s LEU 368 Cb -0.15 -1.26 -0.12 0.00 0.03 0.00 0.00 46.19 44.69 3aek s LEU 368 CO 0.44 0.29 1.39 -2.65 0.23 0.00 0.00 176.35 176.05 3aek n PRO 369 N 2.31 2.38 -3.76 1.29 -0.02 -1.26 -4.32 135.00 131.62 3aek n PRO 369 Ca -0.16 0.83 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3aek n PRO 369 Cb 0.52 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 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 -0.09 1.36 -0.04 0.00 0.00 -0.57 -4.79 121.76 117.63 3aek s ALA 371 Ca -0.02 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.65 3aek s ALA 371 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 3aek s ALA 371 CO 0.01 0.24 0.75 0.08 0.00 0.00 0.00 175.76 176.84 3aek s VAL 372 N -1.15 4.98 0.00 0.00 1.01 -1.26 -1.67 120.40 122.31 3aek s VAL 372 Ca 0.01 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3aek s VAL 372 Cb -0.10 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.19 3aek s VAL 372 CO 0.03 0.25 0.31 2.30 0.00 0.00 0.00 175.10 177.99 3aek n ILE 373 N 3.66 0.00 -3.56 2.22 -5.35 0.55 -4.88 119.36 112.00 3aek n ILE 373 Ca -0.00 -0.39 -0.15 0.00 -0.27 0.00 0.00 62.75 61.94 3aek n ILE 373 Cb 0.51 1.17 -0.06 0.00 -1.74 0.00 0.00 39.64 39.52 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 -0.17 -0.57 0.78 7.28 0.15 -1.21 -4.85 113.70 115.11 3aek s SER 374 Ca 0.00 0.73 -0.14 0.00 0.70 0.00 0.00 55.95 57.24 3aek s SER 374 Cb 0.00 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 64.99 3aek s SER 374 CO 0.00 -0.46 1.22 0.00 1.20 0.00 0.00 173.24 175.20 3aek s ALA 375 N -0.87 1.91 0.46 5.45 0.00 -1.26 -4.34 121.76 123.10 3aek s ALA 375 Ca -0.06 0.91 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 3aek s ALA 375 Cb -0.01 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3aek s ALA 375 CO 0.05 -2.21 1.23 -1.25 0.00 0.00 0.00 175.76 173.59 3aek s PRO 376 N -4.02 3.71 0.03 0.00 0.04 -1.26 -4.34 135.00 129.15 3aek s PRO 376 Ca 0.75 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.73 3aek s PRO 376 Cb -0.30 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.74 3aek s PRO 376 CO 0.49 -0.64 -0.02 0.08 0.04 0.00 0.00 177.00 176.95 3aek s VAL 377 N -1.43 0.16 0.64 -0.36 1.01 -1.26 -2.20 120.40 116.96 3aek s VAL 377 Ca 0.63 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 3aek s VAL 377 Cb -0.33 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.34 3aek s VAL 377 CO 0.40 -0.72 0.88 1.41 0.00 0.00 0.00 175.10 177.07 3aek n HIS 378 N 0.91 -3.03 -0.16 5.22 8.25 -1.26 -4.99 115.22 120.16 3aek n HIS 378 Ca -0.19 -1.51 0.10 0.00 -0.26 0.00 0.00 57.72 55.86 3aek n HIS 378 Cb 0.58 -0.64 0.43 0.00 1.12 0.00 0.00 29.99 31.47 3aek n HIS 378 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3aek h VAL 379 N -0.61 0.92 0.00 1.59 3.04 -1.92 -1.84 116.25 117.43 3aek h VAL 379 Ca -0.29 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3aek h VAL 379 Cb 1.06 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 3aek h VAL 379 CO 0.31 0.11 -0.02 1.56 -1.01 0.00 0.00 177.57 178.51 3aek h GLN 380 N 0.58 0.00 -0.57 4.17 7.50 -1.95 -0.65 115.11 124.20 3aek h GLN 380 Ca 0.32 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.47 3aek h GLN 380 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 3aek h GLN 380 CO -0.11 0.02 0.00 -0.25 -1.50 0.00 0.00 178.83 176.99 3aek n ASP 381 N -4.21 3.14 -3.91 1.46 9.92 -0.69 -3.76 116.55 118.50 3aek n ASP 381 Ca -0.03 -2.08 -0.33 0.00 -0.53 0.00 0.00 54.79 51.82 3aek n ASP 381 Cb 0.10 -0.40 -0.07 0.00 -0.64 0.00 0.00 41.12 40.11 3aek n ASP 381 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3aek n PHE 382 N 1.04 3.72 -2.11 1.24 3.01 -0.25 -4.58 117.46 119.52 3aek n PHE 382 Ca 0.19 -3.99 -0.32 0.00 1.01 0.00 0.00 57.45 54.33 3aek n PHE 382 Cb 0.52 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 -1.81 3.47 0.30 -1.08 0.04 -1.25 -4.98 135.00 129.69 3aek s PRO 383 Ca 0.30 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.55 3aek s PRO 383 Cb -0.00 -2.06 0.48 0.00 0.04 0.00 0.00 34.50 32.96 3aek s PRO 383 CO -0.08 -0.68 1.70 0.00 0.04 0.00 0.00 177.00 177.97 3aek h ALA 384 N 0.50 1.12 -2.28 8.56 0.00 -1.94 -3.46 119.26 121.76 3aek h ALA 384 Ca -0.47 -0.43 -0.48 0.00 0.00 0.00 0.00 54.91 53.53 3aek h ALA 384 Cb 1.21 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.96 3aek h ALA 384 CO 0.58 0.60 0.12 -0.98 0.00 0.00 0.00 179.25 179.58 3aek s ARG 385 N -4.03 3.32 -0.01 0.00 1.70 -1.26 -5.00 118.95 113.67 3aek s ARG 385 Ca -0.04 0.10 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 3aek s ARG 385 Cb 0.13 -2.35 -0.08 0.00 -0.57 0.00 0.00 34.95 32.08 3aek s ARG 385 CO 0.76 -0.37 1.94 -0.47 -1.08 0.00 0.00 175.30 176.08 3aek s TYR 386 N -2.81 1.39 -0.36 5.89 6.04 -1.26 -4.90 117.35 121.33 3aek s TYR 386 Ca 0.50 -0.25 0.14 0.00 0.04 0.00 0.00 57.07 57.50 3aek s TYR 386 Cb -0.10 -4.16 0.41 0.00 -1.04 0.00 0.00 41.96 37.06 3aek s TYR 386 CO 0.45 -5.12 0.99 0.00 -1.54 0.00 0.00 175.55 170.33 3aek n ALA 387 N 7.91 2.28 -1.28 3.97 0.00 -1.26 -5.10 120.51 127.03 3aek n ALA 387 Ca 0.20 -2.69 -0.32 0.00 0.00 0.00 0.00 53.44 50.64 3aek n ALA 387 Cb 0.42 -0.97 0.09 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.01 2.29 -0.02 0.00 0.04 -1.26 -4.87 135.00 129.17 3aek s PRO 388 Ca 0.29 1.28 0.21 0.00 0.04 0.00 0.00 61.00 62.82 3aek s PRO 388 Cb 0.41 -1.89 -0.27 0.00 0.04 0.00 0.00 34.50 32.78 3aek s PRO 388 CO -0.02 -1.63 0.51 1.04 0.04 0.00 0.00 177.00 176.94 3aek n GLN 389 N -3.26 0.66 -3.18 4.56 1.13 -1.26 -4.17 117.38 111.85 3aek n GLN 389 Ca 0.10 -0.10 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 3aek n GLN 389 Cb 0.53 -1.58 -0.02 0.00 0.11 0.00 0.00 30.24 29.28 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 -3.30 3.59 2.14 -1.09 -1.94 -1.26 -4.34 119.30 113.10 3aek s MET 390 Ca -0.07 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 53.89 3aek s MET 390 Cb 0.12 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.38 3aek s MET 390 CO 0.88 0.10 0.00 0.41 -0.01 0.00 0.00 175.02 176.39 3aek n GLY 391 N -1.44 -0.82 0.21 -0.03 0.00 0.19 -2.21 105.19 101.10 3aek n GLY 391 Ca -0.02 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 1.03 -0.38 1.61 0.04 -1.91 -2.27 116.94 115.07 3aek h PHE 392 Ca 0.00 -0.47 -0.10 0.00 2.80 0.00 0.00 57.97 60.20 3aek h PHE 392 Cb 0.00 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3aek h PHE 392 CO 0.00 1.29 -0.18 1.49 -0.60 0.00 0.00 178.31 180.31 3aek h GLU 393 N 0.47 0.71 -0.67 1.51 4.57 -1.89 -2.72 114.58 116.55 3aek h GLU 393 Ca -0.06 -0.26 0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3aek h GLU 393 Cb 1.40 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.91 3aek h GLU 393 CO 0.16 0.85 0.44 0.78 -1.18 0.00 0.00 179.01 180.06 3aek h GLY 394 N 0.98 0.90 1.00 1.92 0.00 -1.39 0.20 103.07 106.68 3aek h GLY 394 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3aek h GLY 394 CO 0.05 0.25 0.17 0.00 0.00 0.00 0.00 176.54 177.01 3aek h ALA 395 N 1.62 0.75 0.09 3.60 0.00 -1.11 0.88 119.26 125.08 3aek h ALA 395 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3aek h ALA 395 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3aek h ALA 395 CO -0.08 0.42 -0.12 -0.91 0.00 0.00 0.00 179.25 178.56 3aek h ASN 396 N 0.81 -0.32 -0.34 0.00 2.35 -1.15 -1.04 115.58 115.89 3aek h ASN 396 Ca 0.18 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 3aek h ASN 396 Cb 0.29 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 3aek h ASN 396 CO -0.00 -0.18 0.10 0.58 -1.65 0.00 0.00 177.43 176.28 3aek h VAL 397 N -0.25 0.88 -0.66 2.81 2.07 -0.78 -2.45 116.25 117.87 3aek h VAL 397 Ca 0.01 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3aek h VAL 397 Cb 0.25 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3aek h VAL 397 CO -0.05 0.04 0.18 -0.07 0.02 0.00 0.00 177.57 177.70 3aek h LEU 398 N 0.24 0.96 0.46 2.57 3.38 -0.72 -0.50 115.31 121.71 3aek h LEU 398 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3aek h LEU 398 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3aek h LEU 398 CO -0.17 0.92 -0.22 0.15 0.09 0.00 0.00 178.44 179.20 3aek h PHE 399 N 0.99 -0.57 -0.63 1.13 3.57 -0.92 -1.77 116.94 118.74 3aek h PHE 399 Ca 0.21 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 3aek h PHE 399 Cb 0.31 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3aek h PHE 399 CO 0.02 -0.33 0.32 -0.44 -2.23 0.00 0.00 178.31 175.65 3aek h ASP 400 N -0.66 0.43 -0.70 0.41 3.32 -1.32 -2.52 116.42 115.37 3aek h ASP 400 Ca -0.06 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3aek h ASP 400 Cb 0.50 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3aek h ASP 400 CO 0.10 0.27 0.31 0.74 -1.72 0.00 0.00 179.24 178.94 3aek h THR 401 N 0.57 1.24 0.15 0.35 2.02 -1.01 -2.56 112.91 113.67 3aek h THR 401 Ca 0.30 -0.71 -0.29 0.00 0.77 0.00 0.00 66.41 66.48 3aek h THR 401 Cb 0.25 0.41 0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3aek h THR 401 CO -0.22 0.29 -1.31 -0.50 0.37 0.00 0.00 175.52 174.15 3aek h TRP 402 N 0.98 0.58 0.00 3.16 4.06 -1.14 -3.29 115.95 120.30 3aek h TRP 402 Ca 0.24 -0.42 -0.05 0.00 2.06 0.00 0.00 58.89 60.71 3aek h TRP 402 Cb 0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.29 3aek h TRP 402 CO 0.01 1.34 -0.33 -0.39 -3.56 0.00 0.00 178.44 175.50 3aek h VAL 403 N 0.09 0.40 -0.36 1.49 -1.51 -1.51 -3.37 116.25 111.48 3aek h VAL 403 Ca -0.16 -1.58 0.07 0.00 -1.23 0.00 0.00 66.70 63.80 3aek h VAL 403 Cb 2.01 2.16 -0.09 0.00 -2.13 0.00 0.00 31.29 33.25 3aek h VAL 403 CO 0.21 0.23 -0.39 -0.74 -1.23 0.00 0.00 177.57 175.65 3aek h HIS 404 N 0.00 -1.13 0.00 5.19 6.17 -1.52 -1.84 115.15 122.02 3aek h HIS 404 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.13 3aek h HIS 404 Cb 1.19 0.55 0.00 0.00 2.52 0.00 0.00 27.41 31.67 3aek h HIS 404 CO 0.00 -0.43 0.00 -1.00 0.71 0.00 0.00 177.93 177.21 3aek h PRO 405 N -0.33 0.00 -6.10 5.26 0.13 -1.76 -3.43 132.00 125.77 3aek h PRO 405 Ca 0.14 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.71 3aek h PRO 405 Cb 0.58 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 3aek h PRO 405 CO -0.53 0.00 0.23 -0.51 -0.23 0.00 0.00 178.00 176.96 3aek s LEU 406 N -5.59 4.29 0.59 1.56 1.43 -0.69 -4.75 118.68 115.52 3aek s LEU 406 Ca -0.02 1.30 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 3aek s LEU 406 Cb 0.10 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3aek s LEU 406 CO 0.38 -0.22 1.16 1.33 0.23 0.00 0.00 176.35 179.23 3aek n VAL 407 N 4.05 4.07 -2.33 -1.59 0.24 -1.26 -4.98 118.33 116.52 3aek n VAL 407 Ca 0.02 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.57 3aek n VAL 407 Cb 0.51 -1.38 0.09 0.00 -1.47 0.00 0.00 33.84 31.59 3aek n VAL 407 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3aek s MET 408 N -2.94 1.86 0.14 7.34 1.00 -1.26 -4.84 119.30 120.59 3aek s MET 408 Ca 0.76 -0.60 -0.29 0.00 0.00 0.00 0.00 55.69 55.56 3aek s MET 408 Cb -0.41 -2.21 -0.05 0.00 0.00 0.00 0.00 34.83 32.16 3aek s MET 408 CO 0.46 -1.40 1.57 0.78 0.00 0.00 0.00 175.02 176.43 3aek h GLY 409 N -0.64 -0.72 0.64 -0.03 0.00 -1.94 -1.56 103.07 98.83 3aek h GLY 409 Ca -0.42 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.49 3aek h GLY 409 CO 0.50 -0.20 -0.18 -2.00 0.00 0.00 0.00 176.54 174.66 3aek h LEU 410 N -0.44 -0.50 -0.53 3.11 6.46 -1.99 -2.38 115.31 119.04 3aek h LEU 410 Ca 0.09 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 58.02 3aek h LEU 410 Cb 0.62 0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.66 3aek h LEU 410 CO -0.48 -0.25 -0.02 -0.08 -0.62 0.00 0.00 178.44 177.00 3aek h GLU 411 N -0.32 0.10 -0.99 1.25 4.81 -1.90 -0.88 114.58 116.64 3aek h GLU 411 Ca 0.04 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.43 3aek h GLU 411 Cb 0.36 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.62 3aek h GLU 411 CO -0.13 0.06 0.61 0.93 -0.73 0.00 0.00 179.01 179.75 3aek h GLU 412 N 0.10 0.81 0.00 1.92 5.08 -0.92 -0.79 114.58 120.78 3aek h GLU 412 Ca 0.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3aek h GLU 412 Cb 0.42 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3aek h GLU 412 CO -0.46 0.53 -0.15 0.45 -1.00 0.00 0.00 179.01 178.38 3aek h HIS 413 N 0.83 0.00 0.00 4.33 3.86 -0.69 -3.15 115.15 120.33 3aek h HIS 413 Ca 0.55 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.54 3aek h HIS 413 Cb 0.75 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3aek h HIS 413 CO -0.01 0.15 -1.39 -0.07 0.86 0.00 0.00 177.93 177.48 3aek h LEU 414 N 0.00 0.00 -1.40 2.43 3.38 -0.65 -3.24 115.31 115.83 3aek h LEU 414 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3aek h LEU 414 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3aek h LEU 414 CO 0.02 0.78 0.00 0.18 0.09 0.00 0.00 178.44 179.51 3aek n LEU 415 N -3.04 1.99 0.00 1.67 4.32 -0.37 -3.11 117.00 118.46 3aek n LEU 415 Ca -0.10 -1.00 0.00 0.00 -0.02 0.00 0.00 56.01 54.89 3aek n LEU 415 Cb 0.92 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 3aek n LEU 415 CO 0.44 0.36 -0.29 0.35 -1.22 0.00 0.00 177.39 177.03 3aek n THR 416 N 0.24 0.00 1.09 -5.08 -2.24 -1.22 -4.88 114.28 102.19 3aek n THR 416 Ca 0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.99 3aek n THR 416 Cb 0.39 -0.95 0.14 0.00 -2.10 0.00 0.00 70.33 67.81 3aek n THR 416 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 3aek n MET 417 N -2.67 0.89 0.00 -0.78 0.00 -1.22 -5.15 117.12 108.19 3aek n MET 417 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 57.70 57.04 3aek n MET 417 Cb 0.29 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.03 3aek n MET 417 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16