#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhh s MET 3 N 0.00 1.62 -0.12 0.00 1.00 -1.26 -5.14 119.30 115.41 3dhh s MET 3 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 55.69 54.32 3dhh s MET 3 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 34.83 32.78 3dhh s MET 3 CO 0.00 0.46 0.19 -1.01 0.00 0.00 0.00 175.02 174.66 3dhh s HIS 4 N -1.17 3.58 0.52 -0.03 3.76 -1.26 -5.07 115.29 115.62 3dhh s HIS 4 Ca 0.17 0.57 -0.21 0.00 -0.15 0.00 0.00 55.06 55.44 3dhh s HIS 4 Cb -0.10 -2.04 -0.06 0.00 1.11 0.00 0.00 32.58 31.49 3dhh s HIS 4 CO 0.09 0.63 1.18 -1.25 -0.85 0.00 0.00 174.74 174.54 3dhh s PRO 5 N -0.75 3.40 0.38 8.40 0.04 -1.26 -4.91 135.00 140.32 3dhh s PRO 5 Ca 0.15 1.78 0.11 0.00 0.04 0.00 0.00 61.00 63.08 3dhh s PRO 5 Cb -0.13 -2.16 0.89 0.00 0.04 0.00 0.00 34.50 33.15 3dhh s PRO 5 CO 0.04 -0.85 1.91 -0.09 0.04 0.00 0.00 177.00 178.06 3dhh h ARG 6 N 1.47 0.58 -0.26 4.56 2.43 -1.99 -0.69 114.38 120.49 3dhh h ARG 6 Ca -0.50 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.71 3dhh h ARG 6 Cb 1.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3dhh h ARG 6 CO 0.58 0.38 0.23 1.57 -1.51 0.00 0.00 179.97 181.22 3dhh h LYS 7 N 0.60 0.00 0.00 0.20 2.10 -2.00 0.25 116.57 117.71 3dhh h LYS 7 Ca 0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 3dhh h LYS 7 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 3dhh h LYS 7 CO -0.15 0.00 -0.22 -0.44 -2.00 0.00 0.00 179.45 176.64 3dhh h ASP 8 N 0.00 0.00 0.00 7.07 3.32 -1.48 -3.36 116.42 121.98 3dhh h ASP 8 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3dhh h ASP 8 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3dhh h ASP 8 CO -0.00 0.01 0.00 -2.67 -1.72 0.00 0.00 179.24 174.85 3dhh n TRP 9 N -2.87 0.00 -0.29 4.55 4.27 -0.77 -4.83 117.44 117.51 3dhh n TRP 9 Ca 0.03 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.69 3dhh n TRP 9 Cb 0.52 0.00 0.25 0.00 -1.36 0.00 0.00 31.31 30.72 3dhh n TRP 9 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3dhh h TYR 10 N 0.00 1.01 -0.67 -2.67 3.20 -0.68 -2.37 116.97 114.79 3dhh h TYR 10 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 3dhh h TYR 10 Cb 0.12 -0.33 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 3dhh h TYR 10 CO 0.00 0.53 0.44 0.93 -1.64 0.00 0.00 178.16 178.43 3dhh h GLU 11 N 1.00 0.79 0.00 1.82 4.39 -1.84 -0.93 114.58 119.80 3dhh h GLU 11 Ca 0.38 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.97 3dhh h GLU 11 Cb 0.19 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3dhh h GLU 11 CO -0.14 0.52 -0.28 -0.07 -1.16 0.00 0.00 179.01 177.89 3dhh h LEU 12 N 0.81 0.00 -1.75 1.33 3.38 -1.80 -2.06 115.31 115.23 3dhh h LEU 12 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3dhh h LEU 12 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dhh h LEU 12 CO -0.07 0.28 -0.08 0.71 0.09 0.00 0.00 178.44 179.36 3dhh h THR 13 N 0.00 0.29 -0.11 0.22 1.35 -1.21 -2.98 112.91 110.47 3dhh h THR 13 Ca -0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3dhh h THR 13 Cb 0.54 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3dhh h THR 13 CO 0.04 0.08 0.00 -2.11 -0.25 0.00 0.00 175.52 173.28 3dhh n ARG 14 N -3.32 2.37 -2.17 4.72 1.85 -0.89 -4.75 116.66 114.46 3dhh n ARG 14 Ca -0.01 -2.23 -0.42 0.00 -1.00 0.00 0.00 57.85 54.19 3dhh n ARG 14 Cb 0.28 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 3dhh n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dhh n ALA 15 N -0.67 5.37 -0.21 2.89 0.00 -0.83 -4.51 120.51 122.56 3dhh n ALA 15 Ca 0.12 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.37 3dhh n ALA 15 Cb 0.54 -3.15 0.00 0.00 0.00 0.00 0.00 19.45 16.84 3dhh n ALA 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dhh n THR 16 N 3.90 0.00 -2.52 0.00 -2.24 -1.26 -5.02 114.28 107.14 3dhh n THR 16 Ca 0.43 -0.36 -0.40 0.00 -2.27 0.00 0.00 64.05 61.45 3dhh n THR 16 Cb 0.37 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3dhh n THR 16 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3dhh s ASN 17 N -0.18 7.32 0.12 3.42 -0.87 -1.26 -5.05 114.94 118.44 3dhh s ASN 17 Ca 0.00 2.19 -0.01 0.00 -1.57 0.00 0.00 52.86 53.47 3dhh s ASN 17 Cb 0.00 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 3dhh s ASN 17 CO 0.00 -0.12 0.04 -1.66 -2.57 0.00 0.00 177.10 172.79 3dhh s TRP 18 N -0.97 0.83 -0.52 2.20 -2.14 -1.26 -5.13 118.94 111.96 3dhh s TRP 18 Ca 0.45 -1.20 -0.23 0.00 2.66 0.00 0.00 56.10 57.79 3dhh s TRP 18 Cb -0.31 -0.48 0.04 0.00 -3.10 0.00 0.00 33.47 29.63 3dhh s TRP 18 CO 0.39 -0.48 0.83 0.99 -2.66 0.00 0.00 176.95 176.01 3dhh s THR 19 N -4.01 4.57 0.66 0.66 2.01 -1.26 -5.04 115.64 113.24 3dhh s THR 19 Ca 0.22 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.17 3dhh s THR 19 Cb 0.07 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 68.16 3dhh s THR 19 CO 0.00 -0.95 1.22 -2.16 -0.69 0.00 0.00 174.62 172.04 3dhh s PRO 20 N 3.47 2.54 0.00 4.92 0.04 -1.26 -4.94 135.00 139.76 3dhh s PRO 20 Ca 0.26 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3dhh s PRO 20 Cb -0.14 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3dhh s PRO 20 CO 0.18 -1.54 0.00 0.43 0.04 0.00 0.00 177.00 176.11 3dhh n SER 21 N -2.16 0.95 0.00 6.66 7.64 -1.26 -4.78 113.62 120.67 3dhh n SER 21 Ca 0.14 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.12 3dhh n SER 21 Cb 0.50 0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 3dhh n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3dhh n TYR 22 N -0.79 0.06 -4.12 1.43 4.01 -1.26 -4.87 117.16 111.62 3dhh n TYR 22 Ca 0.00 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 3dhh n TYR 22 Cb 0.10 -0.19 -0.10 0.00 -0.31 0.00 0.00 39.34 38.83 3dhh n TYR 22 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3dhh s VAL 23 N -3.11 0.14 0.64 -0.72 -7.23 -1.26 -5.17 120.40 103.69 3dhh s VAL 23 Ca 0.05 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.26 3dhh s VAL 23 Cb 0.16 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 3dhh s VAL 23 CO 0.84 -0.65 1.03 0.42 -0.31 0.00 0.00 175.10 176.43 3dhh s THR 24 N -4.00 4.26 0.25 5.32 -4.23 -1.26 -4.73 115.64 111.24 3dhh s THR 24 Ca 0.18 0.65 -0.04 0.00 -1.18 0.00 0.00 61.69 61.30 3dhh s THR 24 Cb 0.08 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.41 3dhh s THR 24 CO -0.02 -0.92 1.81 -0.08 -0.54 0.00 0.00 174.62 174.86 3dhh h GLU 25 N -0.38 0.75 -0.07 3.99 4.81 -1.98 -1.75 114.58 119.95 3dhh h GLU 25 Ca -0.45 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.62 3dhh h GLU 25 Cb 1.22 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3dhh h GLU 25 CO 0.63 0.49 -0.50 1.49 -0.73 0.00 0.00 179.01 180.39 3dhh h GLU 26 N 0.77 0.17 -0.44 1.92 4.57 -1.93 0.17 114.58 119.81 3dhh h GLU 26 Ca 0.40 -0.09 -0.12 0.00 -1.18 0.00 0.00 59.36 58.37 3dhh h GLU 26 Cb 0.38 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 3dhh h GLU 26 CO -0.26 0.63 -0.21 1.96 -1.18 0.00 0.00 179.01 179.96 3dhh h GLN 27 N 0.14 0.87 -0.01 1.92 4.20 -1.81 -1.62 115.11 118.79 3dhh h GLN 27 Ca 0.00 -0.35 -0.22 0.00 0.06 0.00 0.00 58.65 58.14 3dhh h GLN 27 Cb 0.93 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.67 3dhh h GLN 27 CO 0.07 1.00 -0.92 1.25 -0.67 0.00 0.00 178.83 179.56 3dhh h LEU 28 N 0.76 0.52 -6.13 1.46 5.85 -0.89 -3.36 115.31 113.52 3dhh h LEU 28 Ca 0.10 -0.41 -0.59 0.00 0.84 0.00 0.00 57.88 57.82 3dhh h LEU 28 Cb 0.75 -0.16 -0.41 0.00 0.37 0.00 0.00 40.66 41.20 3dhh h LEU 28 CO 0.06 1.20 -0.68 0.49 -0.34 0.00 0.00 178.44 179.17 3dhh n PHE 29 N -3.75 3.00 -1.78 1.25 3.72 0.56 -4.99 117.46 115.47 3dhh n PHE 29 Ca -0.06 -4.05 -0.42 0.00 -0.05 0.00 0.00 57.45 52.87 3dhh n PHE 29 Cb 0.82 -0.52 -0.02 0.00 -0.94 0.00 0.00 39.48 38.82 3dhh n PHE 29 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3dhh s PRO 30 N -2.31 4.14 0.38 -1.08 0.04 -0.61 -4.65 135.00 130.90 3dhh s PRO 30 Ca 0.39 2.56 0.13 0.00 0.04 0.00 0.00 61.00 64.13 3dhh s PRO 30 Cb 0.16 -3.06 0.95 0.00 0.04 0.00 0.00 34.50 32.58 3dhh s PRO 30 CO -0.03 -0.68 1.83 1.49 0.04 0.00 0.00 177.00 179.65 3dhh h GLU 31 N 5.96 0.54 0.00 4.56 4.57 -1.96 0.32 114.58 128.56 3dhh h GLU 31 Ca -0.45 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 3dhh h GLU 31 Cb 1.21 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3dhh h GLU 31 CO 0.88 0.35 -0.07 0.07 -1.18 0.00 0.00 179.01 179.06 3dhh h ARG 32 N 0.55 0.00 0.00 1.92 0.11 -1.97 0.62 114.38 115.61 3dhh h ARG 32 Ca 0.50 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.44 3dhh h ARG 32 Cb 1.04 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.09 3dhh h ARG 32 CO -0.24 0.07 -1.76 -1.33 0.10 0.00 0.00 179.97 176.81 3dhh n MET 33 N -3.99 1.44 -0.03 0.08 2.81 -0.11 -4.10 117.12 113.22 3dhh n MET 33 Ca -0.03 -0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.60 3dhh n MET 33 Cb 0.16 -1.31 -0.13 0.00 -0.71 0.00 0.00 33.22 31.23 3dhh n MET 33 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 3dhh n SER 34 N -2.28 2.05 -1.91 7.83 7.64 0.94 -0.73 113.62 127.15 3dhh n SER 34 Ca -0.14 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.85 3dhh n SER 34 Cb 0.71 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3dhh n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dhh n GLY 35 N 1.84 -0.24 0.00 0.23 0.00 0.20 -2.13 105.19 105.08 3dhh n GLY 35 Ca -0.33 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.57 3dhh n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3dhh n HIS 36 N -4.07 0.00 -3.19 1.61 1.44 -1.26 -4.59 115.22 105.16 3dhh n HIS 36 Ca -0.15 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.34 3dhh n HIS 36 Cb 0.62 -0.37 0.00 0.00 0.12 0.00 0.00 29.99 30.37 3dhh n HIS 36 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dhh n MET 37 N -1.37 -3.45 -0.96 -1.40 0.00 -1.26 -1.21 117.12 107.48 3dhh n MET 37 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.31 3dhh n MET 37 Cb 0.16 -5.26 0.00 0.00 0.00 0.00 0.00 33.22 28.12 3dhh n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dhh n GLY 38 N -1.17 0.62 3.67 3.03 0.00 -1.26 -5.00 105.19 105.08 3dhh n GLY 38 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3dhh n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dhh s ILE 39 N -2.66 4.22 0.58 -0.61 1.01 -0.35 -4.98 121.20 118.42 3dhh s ILE 39 Ca 0.00 1.50 -0.19 0.00 0.00 0.00 0.00 60.65 61.96 3dhh s ILE 39 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3dhh s ILE 39 CO 0.00 -0.10 1.17 -2.16 0.00 0.00 0.00 174.94 173.86 3dhh s PRO 40 N 3.18 3.07 0.27 2.79 0.04 -1.26 -4.92 135.00 138.17 3dhh s PRO 40 Ca 0.56 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 3dhh s PRO 40 Cb -0.23 -1.95 0.49 0.00 0.04 0.00 0.00 34.50 32.84 3dhh s PRO 40 CO 0.17 -1.10 1.48 1.28 0.04 0.00 0.00 177.00 178.88 3dhh n LEU 41 N -1.57 -0.30 -0.36 -3.56 4.77 -1.26 -1.61 117.00 113.10 3dhh n LEU 41 Ca 0.13 1.63 0.09 0.00 -0.03 0.00 0.00 56.01 57.83 3dhh n LEU 41 Cb 0.50 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 41.34 3dhh n LEU 41 CO 0.44 -1.58 1.22 -0.08 -1.33 0.00 0.00 177.39 176.06 3dhh h GLU 42 N 0.00 0.90 0.00 3.23 4.57 -1.95 -1.07 114.58 120.26 3dhh h GLU 42 Ca 0.48 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.58 3dhh h GLU 42 Cb 0.78 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 3dhh h GLU 42 CO -0.97 0.59 -0.10 0.87 -1.18 0.00 0.00 179.01 178.23 3dhh h LYS 43 N 0.93 0.00 0.00 1.92 1.79 -1.67 -2.80 116.57 116.74 3dhh h LYS 43 Ca 0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 3dhh h LYS 43 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3dhh h LYS 43 CO -0.30 0.10 -0.01 -1.49 -1.08 0.00 0.00 179.45 176.66 3dhh h TRP 44 N 0.00 0.00 0.00 -1.35 4.06 -1.26 -3.17 115.95 114.23 3dhh h TRP 44 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3dhh h TRP 44 Cb 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3dhh h TRP 44 CO 0.00 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.81 3dhh h GLU 45 N 0.00 0.00 0.00 0.49 5.08 -1.52 -2.30 114.58 116.33 3dhh h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dhh h GLU 45 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3dhh h GLU 45 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3dhh n SER 46 N -2.33 0.59 -4.67 1.42 3.41 -1.20 -4.85 113.62 106.00 3dhh n SER 46 Ca 0.02 0.58 -0.47 0.00 -0.26 0.00 0.00 58.87 58.74 3dhh n SER 46 Cb 0.23 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 3dhh n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dhh n TYR 47 N -2.08 2.25 -3.67 7.33 9.36 -0.87 -4.96 117.16 124.52 3dhh n TYR 47 Ca 0.05 0.21 -0.30 0.00 3.32 0.00 0.00 57.90 61.19 3dhh n TYR 47 Cb 0.34 -2.57 -0.15 0.00 -0.63 0.00 0.00 39.34 36.34 3dhh n TYR 47 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3dhh s ASP 48 N 1.78 3.80 0.08 2.98 2.15 -1.26 -4.71 116.67 121.49 3dhh s ASP 48 Ca 0.83 -1.74 -0.31 0.00 0.43 0.00 0.00 52.55 51.77 3dhh s ASP 48 Cb -0.70 -0.74 -0.09 0.00 -0.30 0.00 0.00 42.92 41.08 3dhh s ASP 48 CO 0.42 -0.39 1.78 -1.83 -0.17 0.00 0.00 175.17 174.97 3dhh s GLU 49 N 1.51 4.16 0.48 4.34 1.03 -1.26 -4.83 118.70 124.14 3dhh s GLU 49 Ca 0.11 2.48 0.28 0.00 0.03 0.00 0.00 54.97 57.88 3dhh s GLU 49 Cb -0.18 -3.68 0.84 0.00 -0.80 0.00 0.00 34.13 30.31 3dhh s GLU 49 CO -0.22 -0.82 1.79 -1.00 -1.33 0.00 0.00 175.26 173.68 3dhh h PRO 50 N 8.79 0.00 -3.38 -4.83 0.13 -1.98 -3.39 132.00 127.34 3dhh h PRO 50 Ca -0.45 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 3dhh h PRO 50 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 3dhh h PRO 50 CO 0.94 0.00 -0.53 -0.47 -0.23 0.00 0.00 178.00 177.71 3dhh s TYR 51 N -3.42 3.33 0.34 1.56 6.04 -1.26 -5.08 117.35 118.85 3dhh s TYR 51 Ca 0.04 -3.08 -0.08 0.00 0.04 0.00 0.00 57.07 53.99 3dhh s TYR 51 Cb 0.07 -2.92 -0.06 0.00 -1.04 0.00 0.00 41.96 38.01 3dhh s TYR 51 CO 0.60 -0.74 0.66 0.15 -1.54 0.00 0.00 175.55 174.68 3dhh s LYS 52 N -0.47 3.72 0.33 4.97 1.02 -1.26 -4.93 119.74 123.11 3dhh s LYS 52 Ca 0.19 0.25 -0.03 0.00 0.02 0.00 0.00 55.97 56.39 3dhh s LYS 52 Cb -0.21 -2.52 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 3dhh s LYS 52 CO -0.04 0.11 0.46 -0.08 -0.92 0.00 0.00 175.35 174.88 3dhh s THR 53 N -2.19 0.00 0.17 2.17 -1.32 -1.26 -5.15 115.64 108.06 3dhh s THR 53 Ca 0.48 -1.59 0.05 0.00 -1.21 0.00 0.00 61.69 59.41 3dhh s THR 53 Cb -0.11 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 3dhh s THR 53 CO 0.30 0.00 -0.09 -0.94 -2.21 0.00 0.00 174.62 171.67 3dhh s SER 54 N -3.21 1.95 0.15 8.08 1.04 -1.26 -5.03 113.70 115.41 3dhh s SER 54 Ca 0.30 -1.05 -0.23 0.00 0.48 0.00 0.00 55.95 55.45 3dhh s SER 54 Cb -0.00 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3dhh s SER 54 CO 0.19 -0.33 1.63 0.22 0.98 0.00 0.00 173.24 175.93 3dhh h TYR 55 N 2.69 -0.64 -0.27 5.02 5.03 -2.02 -0.25 116.97 126.53 3dhh h TYR 55 Ca -0.37 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 60.95 3dhh h TYR 55 Cb 1.20 0.32 -0.02 0.00 1.55 0.00 0.00 36.73 39.78 3dhh h TYR 55 CO 0.65 -0.32 0.03 -1.00 -1.32 0.00 0.00 178.16 176.20 3dhh h PRO 56 N -0.26 0.40 -0.32 1.82 0.13 -2.00 -1.87 132.00 129.90 3dhh h PRO 56 Ca 0.13 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 65.08 3dhh h PRO 56 Cb 0.46 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3dhh h PRO 56 CO -0.37 0.40 -0.25 0.93 -0.23 0.00 0.00 178.00 178.48 3dhh h GLU 57 N 0.39 0.74 0.20 0.86 5.08 -1.82 -3.03 114.58 117.01 3dhh h GLU 57 Ca 0.09 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3dhh h GLU 57 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3dhh h GLU 57 CO 0.00 0.98 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.94 3dhh h TYR 58 N 0.51 -0.34 -0.46 4.33 3.20 -0.57 -0.27 116.97 123.36 3dhh h TYR 58 Ca 0.06 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3dhh h TYR 58 Cb 0.81 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 3dhh h TYR 58 CO 0.07 -0.21 -0.03 -0.39 -1.64 0.00 0.00 178.16 175.96 3dhh h VAL 59 N -0.33 1.24 0.00 1.81 -1.51 -1.42 -0.13 116.25 115.91 3dhh h VAL 59 Ca -0.02 -1.03 -0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3dhh h VAL 59 Cb 0.28 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 3dhh h VAL 59 CO 0.01 0.36 -0.00 -1.28 -1.23 0.00 0.00 177.57 175.43 3dhh h SER 60 N 0.71 -0.00 -0.25 4.19 0.87 -1.40 -1.84 113.55 115.83 3dhh h SER 60 Ca 0.14 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.42 3dhh h SER 60 Cb 0.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3dhh h SER 60 CO 0.02 0.21 -0.07 0.40 -0.53 0.00 0.00 176.83 176.87 3dhh h ILE 61 N -0.22 1.28 -0.12 2.23 1.08 -0.88 -2.51 117.51 118.38 3dhh h ILE 61 Ca -0.00 -1.08 -0.08 0.00 -0.39 0.00 0.00 64.86 63.31 3dhh h ILE 61 Cb 0.22 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 3dhh h ILE 61 CO 0.00 0.34 -0.30 1.56 -0.69 0.00 0.00 178.15 179.05 3dhh h GLN 62 N 0.23 0.22 -0.39 2.37 1.08 -1.09 -0.76 115.11 116.78 3dhh h GLN 62 Ca 0.06 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.20 3dhh h GLN 62 Cb 0.54 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 3dhh h GLN 62 CO 0.03 0.51 0.21 -0.09 -0.95 0.00 0.00 178.83 178.54 3dhh h ARG 63 N 0.20 0.42 -0.62 1.46 2.43 -1.21 -2.08 114.38 114.98 3dhh h ARG 63 Ca 0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3dhh h ARG 63 Cb 0.64 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3dhh h ARG 63 CO 0.05 0.28 0.19 1.49 -1.51 0.00 0.00 179.97 180.47 3dhh h GLU 64 N 0.44 0.97 -0.37 0.20 4.81 -0.96 -1.60 114.58 118.06 3dhh h GLU 64 Ca 0.16 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3dhh h GLU 64 Cb 0.03 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3dhh h GLU 64 CO -0.09 0.86 0.21 0.87 -0.73 0.00 0.00 179.01 180.14 3dhh h LYS 65 N 0.89 0.50 -0.37 1.92 1.57 -0.96 -2.38 116.57 117.74 3dhh h LYS 65 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 3dhh h LYS 65 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3dhh h LYS 65 CO -0.01 0.39 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.46 3dhh h ASP 66 N 0.47 0.92 -0.91 0.86 3.32 -1.32 -2.22 116.42 117.54 3dhh h ASP 66 Ca 0.13 -0.41 0.03 0.00 0.02 0.00 0.00 57.03 56.80 3dhh h ASP 66 Cb 0.02 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3dhh h ASP 66 CO -0.02 1.18 0.59 0.00 -1.72 0.00 0.00 179.24 179.27 3dhh h ALA 67 N 0.86 1.18 -0.25 3.45 0.00 -1.08 -0.54 119.26 122.89 3dhh h ALA 67 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dhh h ALA 67 Cb 0.94 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3dhh h ALA 67 CO 0.09 0.48 -0.01 0.78 0.00 0.00 0.00 179.25 180.59 3dhh h GLY 68 N 1.17 0.48 1.00 0.00 0.00 -1.36 -1.49 103.07 102.87 3dhh h GLY 68 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dhh h GLY 68 CO -0.10 0.33 0.27 0.00 0.00 0.00 0.00 176.54 177.04 3dhh h ALA 69 N 0.80 0.53 -0.19 3.60 0.00 -0.78 -2.09 119.26 121.13 3dhh h ALA 69 Ca 0.07 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3dhh h ALA 69 Cb 0.43 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dhh h ALA 69 CO 0.01 -0.01 -0.55 1.88 0.00 0.00 0.00 179.25 180.59 3dhh h TYR 70 N 0.56 0.69 -0.66 0.00 0.05 -1.17 -2.60 116.97 113.85 3dhh h TYR 70 Ca 0.15 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3dhh h TYR 70 Cb -0.06 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 3dhh h TYR 70 CO -0.05 0.97 0.34 0.77 -1.05 0.00 0.00 178.16 179.15 3dhh h SER 71 N 0.43 0.85 -0.16 3.88 0.02 -1.06 -0.82 113.55 116.68 3dhh h SER 71 Ca 0.01 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3dhh h SER 71 Cb 1.09 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3dhh h SER 71 CO 0.10 0.72 -0.01 0.58 -1.14 0.00 0.00 176.83 177.08 3dhh h VAL 72 N 0.91 1.26 -0.28 2.27 2.07 -1.40 -0.67 116.25 120.42 3dhh h VAL 72 Ca 0.23 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.93 3dhh h VAL 72 Cb 0.07 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3dhh h VAL 72 CO -0.03 0.26 -0.12 0.50 0.02 0.00 0.00 177.57 178.20 3dhh h LYS 73 N 0.02 -0.07 -0.71 1.57 3.64 -1.34 -1.91 116.57 117.78 3dhh h LYS 73 Ca 0.04 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3dhh h LYS 73 Cb 0.40 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3dhh h LYS 73 CO 0.01 -0.05 0.47 0.00 -2.27 0.00 0.00 179.45 177.61 3dhh h ALA 74 N 1.17 0.90 0.00 5.00 0.00 -1.05 -2.52 119.26 122.75 3dhh h ALA 74 Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dhh h ALA 74 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dhh h ALA 74 CO -0.33 0.31 -0.18 0.00 0.00 0.00 0.00 179.25 179.06 3dhh h ALA 75 N 1.26 1.22 -0.47 0.00 0.00 -0.72 -3.18 119.26 117.37 3dhh h ALA 75 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dhh h ALA 75 Cb -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dhh h ALA 75 CO -0.06 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3dhh n LEU 76 N -3.62 3.25 0.01 0.00 4.77 -0.75 -4.62 117.00 116.04 3dhh n LEU 76 Ca -0.01 -2.00 0.20 0.00 -0.03 0.00 0.00 56.01 54.16 3dhh n LEU 76 Cb 0.31 -0.31 0.69 0.00 -2.33 0.00 0.00 43.42 41.78 3dhh n LEU 76 CO 0.32 0.81 1.18 -0.33 -1.33 0.00 0.00 177.39 178.04 3dhh h GLU 77 N 2.74 0.00 -0.73 3.23 4.39 -1.47 -0.90 114.58 121.84 3dhh h GLU 77 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3dhh h GLU 77 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 3dhh h GLU 77 CO 0.00 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.39 3dhh n ARG 78 N -4.37 2.74 0.00 2.33 5.12 -1.26 -4.39 116.66 116.83 3dhh n ARG 78 Ca 0.09 -2.63 0.08 0.00 -1.93 0.00 0.00 57.85 53.47 3dhh n ARG 78 Cb 0.59 -1.58 0.46 0.00 -1.16 0.00 0.00 32.46 30.77 3dhh n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dhh n ALA 79 N 1.60 2.02 -3.77 7.54 0.00 -0.34 -4.90 120.51 122.65 3dhh n ALA 79 Ca 0.24 -0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.33 3dhh n ALA 79 Cb 0.63 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.84 3dhh n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dhh n LYS 80 N -1.17 -5.86 0.08 0.00 5.02 -1.26 -4.93 118.16 110.04 3dhh n LYS 80 Ca 0.10 0.66 -0.12 0.00 -2.02 0.00 0.00 58.31 56.93 3dhh n LYS 80 Cb 0.11 -5.50 -0.07 0.00 -0.02 0.00 0.00 35.03 29.55 3dhh n LYS 80 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3dhh h ILE 81 N -2.12 0.87 -0.89 -0.18 1.08 -1.89 0.33 117.51 114.70 3dhh h ILE 81 Ca -0.59 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3dhh h ILE 81 Cb 1.37 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 35.91 3dhh h ILE 81 CO 0.61 0.00 0.53 0.22 -0.69 0.00 0.00 178.15 178.83 3dhh h TYR 82 N -0.14 0.97 0.11 1.37 3.20 -1.94 -1.08 116.97 119.46 3dhh h TYR 82 Ca -0.00 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.60 3dhh h TYR 82 Cb 0.13 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3dhh h TYR 82 CO -0.09 0.41 -1.48 0.93 -1.64 0.00 0.00 178.16 176.28 3dhh h GLU 83 N 0.89 0.23 0.00 1.82 3.07 -1.93 -3.39 114.58 115.27 3dhh h GLU 83 Ca 0.43 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3dhh h GLU 83 Cb 0.37 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3dhh h GLU 83 CO -0.24 1.10 -1.52 0.09 -1.40 0.00 0.00 179.01 177.04 3dhh n ASN 84 N -3.44 0.60 -4.82 1.42 4.13 0.09 -4.98 115.26 108.27 3dhh n ASN 84 Ca -0.15 -0.39 -0.32 0.00 1.68 0.00 0.00 54.58 55.39 3dhh n ASN 84 Cb 1.04 1.55 -0.00 0.00 -1.54 0.00 0.00 39.78 40.82 3dhh n ASN 84 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3dhh s SER 85 N -3.72 6.07 0.32 6.41 0.01 -0.42 -4.98 113.70 117.39 3dhh s SER 85 Ca -0.01 1.72 -0.29 0.00 1.31 0.00 0.00 55.95 58.67 3dhh s SER 85 Cb 0.14 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.73 3dhh s SER 85 CO 0.83 -0.97 1.49 -0.67 0.41 0.00 0.00 173.24 174.33 3dhh n ASP 86 N -1.92 3.56 0.32 2.44 -0.08 -1.26 -4.86 116.55 114.74 3dhh n ASP 86 Ca 0.08 1.18 0.19 0.00 -1.51 0.00 0.00 54.79 54.74 3dhh n ASP 86 Cb 0.53 -1.57 1.09 0.00 2.34 0.00 0.00 41.12 43.51 3dhh n ASP 86 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3dhh h PRO 87 N 3.75 0.00 0.00 -0.67 0.13 -1.94 0.38 132.00 133.66 3dhh h PRO 87 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 3dhh h PRO 87 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3dhh h PRO 87 CO 0.71 0.00 -0.34 0.78 -0.23 0.00 0.00 178.00 178.92 3dhh h GLY 88 N 0.00 0.00 0.98 1.56 0.00 -1.87 -0.82 103.07 102.92 3dhh h GLY 88 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 3dhh h GLY 88 CO -0.00 0.00 -0.63 -0.25 0.00 0.00 0.00 176.54 175.66 3dhh h TRP 89 N 0.00 0.83 -0.84 5.60 2.91 -1.04 -1.95 115.95 121.47 3dhh h TRP 89 Ca -0.00 -0.38 0.00 0.00 1.13 0.00 0.00 58.89 59.64 3dhh h TRP 89 Cb 0.70 -0.12 -0.04 0.00 -0.51 0.00 0.00 29.16 29.18 3dhh h TRP 89 CO 0.00 1.18 0.54 0.82 -1.03 0.00 0.00 178.44 179.95 3dhh h ILE 90 N 0.25 1.22 -0.64 2.65 1.08 -1.11 -1.92 117.51 119.04 3dhh h ILE 90 Ca -0.05 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 3dhh h ILE 90 Cb 1.28 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 3dhh h ILE 90 CO 0.13 0.22 0.29 0.28 -0.69 0.00 0.00 178.15 178.38 3dhh h SER 91 N 1.14 0.83 -0.50 1.72 0.02 -1.14 -1.23 113.55 114.40 3dhh h SER 91 Ca 0.31 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 3dhh h SER 91 Cb -0.10 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.18 3dhh h SER 91 CO -0.06 0.72 0.22 0.74 -1.14 0.00 0.00 176.83 177.30 3dhh h THR 92 N 0.91 0.90 -0.38 -2.27 2.02 -0.60 0.65 112.91 114.13 3dhh h THR 92 Ca 0.22 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3dhh h THR 92 Cb 0.12 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3dhh h THR 92 CO -0.03 0.08 0.21 -0.07 0.37 0.00 0.00 175.52 176.08 3dhh h LEU 93 N 0.43 0.47 -0.44 2.58 3.38 -0.96 0.10 115.31 120.87 3dhh h LEU 93 Ca 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3dhh h LEU 93 Cb 0.19 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3dhh h LEU 93 CO -0.19 0.42 0.24 0.11 0.09 0.00 0.00 178.44 179.11 3dhh h LYS 94 N 0.49 0.62 0.04 1.13 1.57 -0.95 0.04 116.57 119.51 3dhh h LYS 94 Ca 0.13 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3dhh h LYS 94 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dhh h LYS 94 CO -0.02 0.49 -0.02 1.03 -0.57 0.00 0.00 179.45 180.36 3dhh h SER 95 N 0.58 -0.04 0.55 0.86 0.87 -0.74 -2.31 113.55 113.31 3dhh h SER 95 Ca 0.16 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3dhh h SER 95 Cb 0.06 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3dhh h SER 95 CO -0.02 0.06 -0.50 -0.74 -0.53 0.00 0.00 176.83 175.10 3dhh h HIS 96 N -0.14 -1.37 -0.84 2.24 -0.00 -0.75 0.24 115.15 114.54 3dhh h HIS 96 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3dhh h HIS 96 Cb 0.12 0.53 -0.04 0.00 -0.00 0.00 0.00 27.41 28.02 3dhh h HIS 96 CO -0.05 -0.68 0.54 1.88 -0.00 0.00 0.00 177.93 179.62 3dhh h TYR 97 N -1.03 1.08 -0.50 5.26 0.05 -1.03 -1.17 116.97 119.62 3dhh h TYR 97 Ca -0.07 0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.68 3dhh h TYR 97 Cb 0.88 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3dhh h TYR 97 CO -0.23 0.70 0.12 0.78 -1.05 0.00 0.00 178.16 178.48 3dhh h GLY 98 N 1.14 0.86 2.00 3.88 0.00 -1.35 -1.17 103.07 108.44 3dhh h GLY 98 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3dhh h GLY 98 CO -0.06 0.50 0.00 0.00 0.00 0.00 0.00 176.54 176.98 3dhh h ALA 99 N 0.99 1.00 0.00 3.60 0.00 -0.45 -3.40 119.26 121.01 3dhh h ALA 99 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3dhh h ALA 99 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3dhh h ALA 99 CO 0.00 0.00 -1.34 -0.89 0.00 0.00 0.00 179.25 177.02 3dhh n ILE 100 N -2.96 0.34 -0.10 0.00 5.41 -0.49 -4.63 119.36 116.93 3dhh n ILE 100 Ca 0.03 -0.12 -0.06 0.00 1.00 0.00 0.00 62.75 63.60 3dhh n ILE 100 Cb 0.41 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 3dhh n ILE 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dhh h ALA 101 N -0.07 0.03 0.00 -1.39 0.00 -1.42 -0.08 119.26 116.33 3dhh h ALA 101 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dhh h ALA 101 Cb 1.18 0.50 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3dhh h ALA 101 CO -0.04 -0.60 -0.39 0.28 0.00 0.00 0.00 179.25 178.50 3dhh h VAL 102 N -0.16 0.00 -0.48 0.00 2.07 -1.82 -2.82 116.25 113.04 3dhh h VAL 102 Ca 0.18 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3dhh h VAL 102 Cb 0.44 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3dhh h VAL 102 CO -0.46 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.35 3dhh h GLY 103 N 4.04 0.92 0.34 2.17 0.00 -1.57 -0.90 103.07 108.07 3dhh h GLY 103 Ca 0.00 -0.68 0.06 0.00 0.00 0.00 0.00 47.33 46.71 3dhh h GLY 103 CO 0.00 0.63 -0.09 0.83 0.00 0.00 0.00 176.54 177.91 3dhh h GLU 104 N 0.70 -0.02 -0.84 4.80 4.39 -0.94 -0.20 114.58 122.47 3dhh h GLU 104 Ca 0.13 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3dhh h GLU 104 Cb 0.52 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 3dhh h GLU 104 CO 0.03 -0.01 0.48 -0.92 -1.16 0.00 0.00 179.01 177.43 3dhh h TYR 105 N -0.02 1.12 -0.51 4.33 3.20 -1.36 -1.14 116.97 122.60 3dhh h TYR 105 Ca 0.15 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3dhh h TYR 105 Cb 0.25 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3dhh h TYR 105 CO -0.31 0.76 0.34 0.00 -1.64 0.00 0.00 178.16 177.31 3dhh h ALA 106 N 1.37 1.71 0.00 1.82 0.00 -0.61 -2.27 119.26 121.28 3dhh h ALA 106 Ca 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3dhh h ALA 106 Cb -0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3dhh h ALA 106 CO -0.05 0.24 -0.07 0.00 0.00 0.00 0.00 179.25 179.38 3dhh h ALA 107 N 1.70 1.43 -0.98 0.00 0.00 0.26 0.26 119.26 121.93 3dhh h ALA 107 Ca 0.20 -0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.30 3dhh h ALA 107 Cb 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 3dhh h ALA 107 CO -0.05 0.08 0.56 0.28 0.00 0.00 0.00 179.25 180.12 3dhh h VAL 108 N 0.00 0.50 -0.13 0.00 2.07 -1.28 -1.94 116.25 115.48 3dhh h VAL 108 Ca -0.00 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 3dhh h VAL 108 Cb 0.17 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3dhh h VAL 108 CO 0.01 0.10 -0.72 0.74 0.02 0.00 0.00 177.57 177.71 3dhh h THR 109 N 0.53 1.32 -0.44 2.57 2.02 -1.08 0.25 112.91 118.09 3dhh h THR 109 Ca 0.64 -2.02 0.02 0.00 0.77 0.00 0.00 66.41 65.82 3dhh h THR 109 Cb 1.23 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.61 3dhh h THR 109 CO -0.50 0.62 0.25 1.23 0.37 0.00 0.00 175.52 177.50 3dhh h GLY 110 N 0.93 0.61 1.09 2.16 0.00 -1.41 -0.30 103.07 106.15 3dhh h GLY 110 Ca -0.03 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3dhh h GLY 110 CO 0.14 0.16 -0.15 0.83 0.00 0.00 0.00 176.54 177.52 3dhh h GLU 111 N 0.51 0.99 -0.61 4.80 4.39 -1.10 -2.65 114.58 120.91 3dhh h GLU 111 Ca 0.18 -0.39 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 3dhh h GLU 111 Cb 0.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3dhh h GLU 111 CO -0.09 1.07 0.32 0.78 -1.16 0.00 0.00 179.01 179.93 3dhh h GLY 112 N 0.85 0.91 0.92 -3.84 0.00 -0.30 0.18 103.07 101.79 3dhh h GLY 112 Ca 0.13 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3dhh h GLY 112 CO 0.05 0.39 0.36 -0.09 0.00 0.00 0.00 176.54 177.26 3dhh h ARG 113 N 0.86 0.70 -0.37 4.80 9.65 -0.82 -1.18 114.38 128.01 3dhh h ARG 113 Ca 0.22 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 3dhh h ARG 113 Cb 0.05 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.46 3dhh h ARG 113 CO -0.03 0.46 0.02 0.52 2.80 0.00 0.00 179.97 183.74 3dhh h MET 114 N 0.72 0.65 -0.29 0.20 2.86 -1.11 0.47 114.93 118.42 3dhh h MET 114 Ca 0.23 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3dhh h MET 114 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3dhh h MET 114 CO -0.08 0.74 0.10 0.00 1.06 0.00 0.00 176.91 178.73 3dhh h ALA 115 N 0.89 1.64 0.10 6.32 0.00 -0.47 -1.40 119.26 126.34 3dhh h ALA 115 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 3dhh h ALA 115 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dhh h ALA 115 CO 0.02 0.29 -1.44 -0.09 0.00 0.00 0.00 179.25 178.02 3dhh h ARG 116 N 0.41 0.20 -0.00 0.00 9.65 -1.26 -3.44 114.38 119.94 3dhh h ARG 116 Ca 0.10 -0.35 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3dhh h ARG 116 Cb 0.11 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3dhh h ARG 116 CO -0.01 1.17 -0.49 1.19 2.80 0.00 0.00 179.97 184.62 3dhh n PHE 117 N -3.95 0.00 -2.20 2.20 3.72 0.15 -4.94 117.46 112.45 3dhh n PHE 117 Ca -0.27 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.72 3dhh n PHE 117 Cb 0.88 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.39 3dhh n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3dhh s SER 118 N -2.03 6.87 0.00 4.37 0.15 -0.54 -4.44 113.70 118.09 3dhh s SER 118 Ca 0.07 2.45 0.27 0.00 0.70 0.00 0.00 55.95 59.45 3dhh s SER 118 Cb 0.10 -2.62 1.26 0.00 -1.71 0.00 0.00 66.02 63.06 3dhh s SER 118 CO 0.46 -0.53 1.90 0.29 1.20 0.00 0.00 173.24 176.57 3dhh n LYS 119 N 2.34 0.17 -3.15 5.44 5.02 -1.26 -4.72 118.16 122.00 3dhh n LYS 119 Ca 0.05 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.96 3dhh n LYS 119 Cb 0.42 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 3dhh n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dhh s ALA 120 N -2.82 3.50 0.26 7.82 0.00 -1.26 -4.71 121.76 124.55 3dhh s ALA 120 Ca 0.19 -0.78 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 3dhh s ALA 120 Cb 0.18 -3.09 0.35 0.00 0.00 0.00 0.00 23.12 20.56 3dhh s ALA 120 CO 0.46 -1.16 1.90 -1.35 0.00 0.00 0.00 175.76 175.61 3dhh h PRO 121 N 8.32 1.19 -0.46 0.00 0.11 -1.84 -1.65 132.00 137.66 3dhh h PRO 121 Ca -0.27 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 3dhh h PRO 121 Cb 1.12 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3dhh h PRO 121 CO 0.80 0.79 0.05 0.78 -0.21 0.00 0.00 178.00 180.20 3dhh h GLY 122 N 1.22 0.78 0.91 -0.55 0.00 -1.84 -2.60 103.07 101.00 3dhh h GLY 122 Ca 0.40 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3dhh h GLY 122 CO -0.14 0.44 0.09 -0.57 0.00 0.00 0.00 176.54 176.37 3dhh h ASN 123 N 0.69 0.50 -0.88 0.19 -1.24 -1.74 -0.34 115.58 112.77 3dhh h ASN 123 Ca 0.15 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 56.97 3dhh h ASN 123 Cb 0.36 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.23 3dhh h ASN 123 CO 0.01 0.59 0.58 0.03 -1.29 0.00 0.00 177.43 177.35 3dhh h ARG 124 N 0.39 1.07 -0.02 6.67 3.08 -1.07 0.22 114.38 124.73 3dhh h ARG 124 Ca 0.11 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3dhh h ARG 124 Cb 0.28 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3dhh h ARG 124 CO -0.00 0.71 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.47 3dhh h ASN 125 N 1.10 0.23 -0.11 7.04 2.35 -1.25 -2.71 115.58 122.25 3dhh h ASN 125 Ca 0.35 -0.73 -0.02 0.00 -0.55 0.00 0.00 56.30 55.35 3dhh h ASN 125 Cb 0.02 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3dhh h ASN 125 CO -0.10 0.93 0.01 0.24 -1.65 0.00 0.00 177.43 176.86 3dhh h MET 126 N -0.44 0.27 0.00 0.81 2.86 -0.82 -1.13 114.93 116.47 3dhh h MET 126 Ca -0.02 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 3dhh h MET 126 Cb 0.95 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3dhh h MET 126 CO 0.05 0.28 -0.31 0.00 1.06 0.00 0.00 176.91 177.98 3dhh h ALA 127 N 1.76 1.21 -0.36 6.32 0.00 -0.61 0.78 119.26 128.36 3dhh h ALA 127 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3dhh h ALA 127 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dhh h ALA 127 CO 0.00 0.39 -0.08 1.15 0.00 0.00 0.00 179.25 180.71 3dhh h THR 128 N 0.00 1.28 -0.39 0.00 2.02 -0.87 0.33 112.91 115.28 3dhh h THR 128 Ca -0.00 -1.14 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 3dhh h THR 128 Cb 0.67 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3dhh h THR 128 CO 0.04 0.38 -0.12 -0.26 0.37 0.00 0.00 175.52 175.93 3dhh h PHE 129 N 0.48 0.75 -0.80 3.16 0.04 -1.27 -2.69 116.94 116.61 3dhh h PHE 129 Ca 0.09 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3dhh h PHE 129 Cb 0.58 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 3dhh h PHE 129 CO 0.05 0.77 0.34 0.78 -0.60 0.00 0.00 178.31 179.65 3dhh h GLY 130 N 0.97 1.26 0.43 -1.45 0.00 -0.48 0.24 103.07 104.04 3dhh h GLY 130 Ca 0.11 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 46.85 3dhh h GLY 130 CO 0.04 0.62 0.04 -0.33 0.00 0.00 0.00 176.54 176.91 3dhh h MET 131 N 1.15 0.15 -0.41 4.80 2.86 -0.24 -1.89 114.93 121.36 3dhh h MET 131 Ca 0.27 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.87 3dhh h MET 131 Cb 0.18 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3dhh h MET 131 CO -0.03 0.10 0.15 0.52 1.06 0.00 0.00 176.91 178.71 3dhh h MET 132 N 0.16 0.62 -0.70 1.72 2.07 -1.11 -2.23 114.93 115.46 3dhh h MET 132 Ca 0.20 -0.12 0.07 0.00 -2.07 0.00 0.00 59.70 57.77 3dhh h MET 132 Cb 0.26 -0.10 -0.06 0.00 -1.87 0.00 0.00 31.60 29.83 3dhh h MET 132 CO -0.29 0.59 0.39 -0.44 1.07 0.00 0.00 176.91 178.23 3dhh h ASP 133 N 0.52 0.57 0.46 1.22 3.32 -0.74 -1.19 116.42 120.58 3dhh h ASP 133 Ca 0.13 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.02 3dhh h ASP 133 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3dhh h ASP 133 CO -0.01 0.36 -0.86 -0.33 -1.72 0.00 0.00 179.24 176.68 3dhh h GLU 134 N 0.71 0.29 -0.37 3.56 4.39 -1.25 -1.41 114.58 120.49 3dhh h GLU 134 Ca 0.32 -0.29 0.07 0.00 0.34 0.00 0.00 59.36 59.80 3dhh h GLU 134 Cb 0.23 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3dhh h GLU 134 CO -0.20 0.99 -0.02 1.25 -1.16 0.00 0.00 179.01 179.87 3dhh h LEU 135 N 0.17 -0.19 -0.25 1.33 5.85 -1.08 -0.69 115.31 120.46 3dhh h LEU 135 Ca -0.05 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3dhh h LEU 135 Cb 1.47 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 3dhh h LEU 135 CO 0.14 -0.06 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.92 3dhh h ARG 136 N 0.08 -0.15 -0.58 1.25 2.43 -0.69 -1.48 114.38 115.23 3dhh h ARG 136 Ca 0.18 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3dhh h ARG 136 Cb 0.26 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3dhh h ARG 136 CO -0.32 -0.10 -0.05 0.45 -1.51 0.00 0.00 179.97 178.44 3dhh h HIS 137 N -0.16 1.17 -0.54 2.20 3.86 -0.74 0.11 115.15 121.04 3dhh h HIS 137 Ca 0.14 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3dhh h HIS 137 Cb 0.37 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 3dhh h HIS 137 CO -0.34 1.05 0.34 0.78 0.86 0.00 0.00 177.93 180.62 3dhh h GLY 138 N 0.97 0.78 1.16 2.45 0.00 -0.96 -1.88 103.07 105.59 3dhh h GLY 138 Ca 0.16 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 46.97 3dhh h GLY 138 CO 0.04 0.30 -0.69 1.46 0.00 0.00 0.00 176.54 177.66 3dhh h GLN 139 N 0.73 0.83 -0.49 4.80 4.20 -0.68 -2.32 115.11 122.19 3dhh h GLN 139 Ca 0.20 -0.62 0.02 0.00 0.06 0.00 0.00 58.65 58.31 3dhh h GLN 139 Cb -0.04 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3dhh h GLN 139 CO -0.04 1.23 0.29 -0.07 -0.67 0.00 0.00 178.83 179.57 3dhh h LEU 140 N 0.58 0.47 -0.45 1.46 3.38 -0.77 -0.09 115.31 119.89 3dhh h LEU 140 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dhh h LEU 140 Cb 1.31 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3dhh h LEU 140 CO 0.15 0.33 -0.05 0.00 0.09 0.00 0.00 178.44 178.96 3dhh n GLN 141 N -4.81 1.14 -0.07 1.13 6.02 -0.71 -0.78 117.38 119.29 3dhh n GLN 141 Ca 0.03 -0.45 -0.22 0.00 -0.01 0.00 0.00 57.00 56.35 3dhh n GLN 141 Cb 0.07 -1.49 -0.12 0.00 1.02 0.00 0.00 30.24 29.72 3dhh n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dhh n LEU 142 N -0.54 2.17 -0.20 1.08 4.77 -0.88 -4.42 117.00 118.97 3dhh n LEU 142 Ca 0.19 0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 56.43 3dhh n LEU 142 Cb 0.26 -1.01 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3dhh n LEU 142 CO 0.20 0.52 1.12 0.15 -1.33 0.00 0.00 177.39 178.04 3dhh h PHE 143 N -0.60 0.73 0.12 -1.77 3.57 -0.65 -2.47 116.94 115.86 3dhh h PHE 143 Ca -0.41 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3dhh h PHE 143 Cb 1.60 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3dhh h PHE 143 CO 0.08 0.45 -0.06 0.74 -2.23 0.00 0.00 178.31 177.29 3dhh h PHE 144 N 0.78 -0.15 0.00 0.41 -1.00 -1.20 -3.07 116.94 112.72 3dhh h PHE 144 Ca 0.22 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.97 3dhh h PHE 144 Cb -0.08 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.53 3dhh h PHE 144 CO -0.04 0.05 -0.10 -1.00 -1.61 0.00 0.00 178.31 175.62 3dhh h PRO 145 N -0.32 0.00 -1.00 1.51 0.13 -1.77 -3.28 132.00 127.27 3dhh h PRO 145 Ca -0.02 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.31 3dhh h PRO 145 Cb 0.26 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.29 3dhh h PRO 145 CO 0.03 0.10 0.61 1.25 -0.23 0.00 0.00 178.00 179.76 3dhh h HIS 146 N 0.00 1.03 0.00 1.56 2.76 -1.33 0.35 115.15 119.52 3dhh h HIS 146 Ca -0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3dhh h HIS 146 Cb 0.65 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 3dhh h HIS 146 CO 0.00 0.22 -0.01 1.05 -1.30 0.00 0.00 177.93 177.89 3dhh h GLU 147 N 0.73 0.00 -0.00 5.26 4.11 -1.69 -1.83 114.58 121.16 3dhh h GLU 147 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 3dhh h GLU 147 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dhh h GLU 147 CO -0.37 0.01 -0.32 0.66 0.07 0.00 0.00 179.01 179.05 3dhh n TYR 148 N -3.38 0.00 -0.28 2.06 4.01 0.12 -4.07 117.16 115.63 3dhh n TYR 148 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 3dhh n TYR 148 Cb 0.10 -0.32 0.19 0.00 -0.31 0.00 0.00 39.34 39.00 3dhh n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dhh n LYS 150 N -5.38 0.10 -0.04 0.00 2.85 -1.26 -2.65 118.16 111.79 3dhh n LYS 150 Ca 0.16 0.30 -0.12 0.00 -1.05 0.00 0.00 58.31 57.61 3dhh n LYS 150 Cb 0.54 -1.68 -0.14 0.00 -0.65 0.00 0.00 35.03 33.10 3dhh n LYS 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dhh n LYS 151 N -1.86 0.67 -3.41 -1.58 5.02 0.15 -5.00 118.16 112.15 3dhh n LYS 151 Ca 0.03 0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.56 3dhh n LYS 151 Cb 0.23 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 3dhh n LYS 151 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dhh s ASP 152 N -6.16 -1.02 0.63 4.39 -1.08 -0.70 -5.03 116.67 107.70 3dhh s ASP 152 Ca -0.10 1.08 0.41 0.00 -0.52 0.00 0.00 52.55 53.42 3dhh s ASP 152 Cb 0.07 2.04 2.09 0.00 -1.46 0.00 0.00 42.92 45.66 3dhh s ASP 152 CO 0.80 -0.19 2.25 0.03 0.52 0.00 0.00 175.17 178.58 3dhh h ARG 153 N 7.89 0.00 0.00 4.34 3.08 -1.86 -1.56 114.38 126.27 3dhh h ARG 153 Ca -0.18 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3dhh h ARG 153 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3dhh h ARG 153 CO 0.12 0.00 -0.09 1.96 -1.07 0.00 0.00 179.97 180.89 3dhh h GLN 154 N 0.00 0.00 0.00 0.04 4.20 -1.86 -0.97 115.11 116.52 3dhh h GLN 154 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dhh h GLN 154 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3dhh h GLN 154 CO 0.00 0.09 0.00 0.74 -0.67 0.00 0.00 178.83 178.99 3dhh h PHE 155 N 0.00 0.00 0.00 2.96 0.04 -1.59 -2.70 116.94 115.64 3dhh h PHE 155 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3dhh h PHE 155 Cb 0.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3dhh h PHE 155 CO 0.00 0.00 -0.00 0.22 -0.60 0.00 0.00 178.31 177.93 3dhh h ASP 156 N 0.00 0.00 1.12 2.17 3.58 -1.33 -2.22 116.42 119.74 3dhh h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3dhh h ASP 156 Cb 0.40 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3dhh h ASP 156 CO 0.00 0.00 0.00 0.79 -2.88 0.00 0.00 179.24 177.15 3dhh n TRP 157 N -3.16 0.65 -0.35 0.28 7.02 -1.02 -1.07 117.44 119.80 3dhh n TRP 157 Ca -0.03 0.21 0.10 0.00 -1.02 0.00 0.00 57.50 56.76 3dhh n TRP 157 Cb 0.09 -0.84 0.29 0.00 -2.42 0.00 0.00 31.31 28.43 3dhh n TRP 157 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dhh h ALA 158 N 2.55 1.63 0.09 6.99 0.00 -1.61 -1.31 119.26 127.59 3dhh h ALA 158 Ca 0.00 0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 3dhh h ALA 158 Cb 0.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3dhh h ALA 158 CO 0.00 0.07 -1.87 1.87 0.00 0.00 0.00 179.25 179.32 3dhh n TRP 159 N -4.66 1.10 0.09 0.00 -0.00 -0.78 -4.42 117.44 108.77 3dhh n TRP 159 Ca 0.20 0.28 -0.07 0.00 -0.00 0.00 0.00 57.50 57.92 3dhh n TRP 159 Cb 0.46 -1.14 0.01 0.00 -0.00 0.00 0.00 31.31 30.64 3dhh n TRP 159 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3dhh h ARG 160 N -0.21 0.11 -0.50 5.87 2.43 -0.84 -3.39 114.38 117.86 3dhh h ARG 160 Ca -0.42 -0.12 0.10 0.00 -0.81 0.00 0.00 59.98 58.73 3dhh h ARG 160 Cb 1.85 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 31.33 3dhh h ARG 160 CO -0.00 0.88 -0.19 0.00 -1.51 0.00 0.00 179.97 179.15 3dhh h ALA 161 N 1.07 0.20 0.00 2.80 0.00 -1.51 0.11 119.26 121.94 3dhh h ALA 161 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dhh h ALA 161 Cb 1.46 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3dhh h ALA 161 CO 0.12 -0.52 0.00 1.88 0.00 0.00 0.00 179.25 180.73 3dhh h TYR 162 N -0.08 0.00 -0.12 0.00 -1.99 -1.83 -1.35 116.97 111.61 3dhh h TYR 162 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 3dhh h TYR 162 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3dhh h TYR 162 CO -0.48 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 178.40 3dhh n HIS 163 N -2.60 0.14 -4.11 4.88 8.25 0.37 -4.95 115.22 117.20 3dhh n HIS 163 Ca 0.00 -0.07 -0.25 0.00 -0.26 0.00 0.00 57.72 57.15 3dhh n HIS 163 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 3dhh n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dhh s SER 164 N -1.62 4.44 -0.33 0.41 1.04 -0.51 -5.03 113.70 112.10 3dhh s SER 164 Ca 0.32 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 55.77 3dhh s SER 164 Cb 0.17 -0.46 0.67 0.00 0.10 0.00 0.00 66.02 66.49 3dhh s SER 164 CO 0.26 -0.56 1.74 0.59 0.98 0.00 0.00 173.24 176.25 3dhh n ASN 165 N -1.25 4.10 -4.76 7.02 3.02 -1.25 -4.66 115.26 117.47 3dhh n ASN 165 Ca -0.01 -3.38 -0.37 0.00 -0.03 0.00 0.00 54.58 50.78 3dhh n ASN 165 Cb 0.64 -0.73 0.01 0.00 -0.61 0.00 0.00 39.78 39.10 3dhh n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dhh s GLU 166 N -3.09 3.48 0.18 3.52 -6.30 -1.14 -4.54 118.70 110.81 3dhh s GLU 166 Ca 0.53 1.92 -0.13 0.00 -2.50 0.00 0.00 54.97 54.78 3dhh s GLU 166 Cb 0.43 -2.30 0.09 0.00 0.00 0.00 0.00 34.13 32.35 3dhh s GLU 166 CO 0.10 -0.82 1.84 0.11 0.02 0.00 0.00 175.26 176.51 3dhh h TRP 167 N 1.73 0.68 -0.18 5.30 5.08 -1.91 -0.66 115.95 125.99 3dhh h TRP 167 Ca -0.50 0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.39 3dhh h TRP 167 Cb 1.27 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.19 3dhh h TRP 167 CO 0.50 0.41 -0.32 0.00 -1.28 0.00 0.00 178.44 177.76 3dhh h ALA 168 N 1.22 1.13 -0.24 0.11 0.00 -1.90 -1.35 119.26 118.23 3dhh h ALA 168 Ca 0.21 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3dhh h ALA 168 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3dhh h ALA 168 CO -0.06 0.56 -0.32 0.00 0.00 0.00 0.00 179.25 179.42 3dhh h ALA 169 N 1.36 1.00 -0.23 0.00 0.00 -1.63 -0.42 119.26 119.34 3dhh h ALA 169 Ca 0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 3dhh h ALA 169 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3dhh h ALA 169 CO 0.05 0.60 -0.50 0.82 0.00 0.00 0.00 179.25 180.22 3dhh h ILE 170 N 0.43 1.31 -0.48 0.00 2.04 -0.87 -0.68 117.51 119.25 3dhh h ILE 170 Ca 0.05 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.17 3dhh h ILE 170 Cb 0.77 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3dhh h ILE 170 CO 0.06 0.54 0.19 0.00 0.00 0.00 0.00 178.15 178.95 3dhh h ALA 171 N 0.95 0.63 -0.21 1.87 0.00 -1.05 0.91 119.26 122.36 3dhh h ALA 171 Ca 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dhh h ALA 171 Cb 1.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3dhh h ALA 171 CO 0.10 0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.66 3dhh h ALA 172 N 1.04 0.27 -0.15 0.00 0.00 -1.02 -2.49 119.26 116.91 3dhh h ALA 172 Ca 0.16 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 3dhh h ALA 172 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dhh h ALA 172 CO -0.01 -0.11 -0.47 0.87 0.00 0.00 0.00 179.25 179.52 3dhh h LYS 173 N 0.17 0.38 -0.59 0.00 1.57 -1.00 0.12 116.57 117.23 3dhh h LYS 173 Ca 0.07 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 3dhh h LYS 173 Cb 0.21 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3dhh h LYS 173 CO -0.00 0.78 -0.01 1.25 -0.57 0.00 0.00 179.45 180.89 3dhh h HIS 174 N 0.31 1.12 0.24 -1.35 2.76 -0.80 0.28 115.15 117.72 3dhh h HIS 174 Ca 0.02 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 57.98 3dhh h HIS 174 Cb 0.95 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.61 3dhh h HIS 174 CO 0.03 1.00 -0.11 0.35 -1.30 0.00 0.00 177.93 177.89 3dhh h PHE 175 N 0.94 -0.29 -0.17 5.26 3.57 -1.21 -2.72 116.94 122.32 3dhh h PHE 175 Ca 0.17 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 3dhh h PHE 175 Cb 0.56 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 3dhh h PHE 175 CO 0.04 0.07 -0.33 0.74 -2.23 0.00 0.00 178.31 176.59 3dhh h PHE 176 N -0.72 0.40 0.00 0.41 0.04 -0.70 -0.61 116.94 115.77 3dhh h PHE 176 Ca -0.03 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 3dhh h PHE 176 Cb 0.49 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3dhh h PHE 176 CO 0.04 0.65 -0.30 -0.44 -0.60 0.00 0.00 178.31 177.66 3dhh h ASP 177 N 0.31 0.00 0.14 2.17 3.32 -0.53 0.21 116.42 122.04 3dhh h ASP 177 Ca 0.04 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 3dhh h ASP 177 Cb 0.74 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.31 3dhh h ASP 177 CO 0.06 0.30 -0.87 -0.78 -1.72 0.00 0.00 179.24 176.23 3dhh h ASP 178 N 0.00 0.48 0.46 6.45 3.58 -1.01 0.13 116.42 126.50 3dhh h ASP 178 Ca -0.00 -0.95 -0.08 0.00 0.42 0.00 0.00 57.03 56.42 3dhh h ASP 178 Cb 0.72 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 3dhh h ASP 178 CO 0.04 1.42 -1.61 2.30 -2.88 0.00 0.00 179.24 178.51 3dhh n ILE 179 N -4.10 0.62 -0.06 2.25 -5.35 -0.31 -4.34 119.36 108.07 3dhh n ILE 179 Ca -0.15 -0.60 -0.11 0.00 -0.27 0.00 0.00 62.75 61.62 3dhh n ILE 179 Cb 0.84 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 38.37 3dhh n ILE 179 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3dhh n ILE 180 N -2.59 1.28 0.72 7.28 5.41 0.71 -4.22 119.36 127.96 3dhh n ILE 180 Ca -0.07 0.06 0.07 0.00 1.00 0.00 0.00 62.75 63.81 3dhh n ILE 180 Cb 0.69 -1.98 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 3dhh n ILE 180 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3dhh n THR 181 N -4.04 0.00 -0.30 1.39 -2.24 -0.97 -4.00 114.28 104.12 3dhh n THR 181 Ca -0.19 -0.18 0.06 0.00 -2.27 0.00 0.00 64.05 61.47 3dhh n THR 181 Cb 0.49 1.04 0.17 0.00 -2.10 0.00 0.00 70.33 69.94 3dhh n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhh n GLY 182 N 1.31 2.94 3.28 3.38 0.00 0.44 -5.00 105.19 111.54 3dhh n GLY 182 Ca 0.04 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 3dhh n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhh s ARG 183 N -1.26 1.34 1.00 1.61 0.52 -1.26 -4.97 118.95 115.92 3dhh s ARG 183 Ca 0.26 -1.71 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 3dhh s ARG 183 Cb 0.16 -0.11 0.19 0.00 0.52 0.00 0.00 34.95 35.70 3dhh s ARG 183 CO 0.15 -0.31 1.08 0.16 0.02 0.00 0.00 175.30 176.40 3dhh s ASP 184 N -3.26 2.55 0.20 0.23 1.47 -1.26 -4.70 116.67 111.90 3dhh s ASP 184 Ca 0.37 1.44 -0.11 0.00 1.18 0.00 0.00 52.55 55.43 3dhh s ASP 184 Cb 0.08 -2.12 0.16 0.00 -0.34 0.00 0.00 42.92 40.69 3dhh s ASP 184 CO 0.13 -3.21 1.86 0.00 0.68 0.00 0.00 175.17 174.62 3dhh h ALA 185 N -1.94 0.89 -0.49 2.11 0.00 -0.87 -1.10 119.26 117.85 3dhh h ALA 185 Ca -0.54 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 3dhh h ALA 185 Cb 1.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3dhh h ALA 185 CO 0.54 0.25 -0.10 0.82 0.00 0.00 0.00 179.25 180.76 3dhh h ILE 186 N 0.89 1.26 -0.75 0.00 1.08 -1.68 -0.13 117.51 118.19 3dhh h ILE 186 Ca 0.26 -1.22 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3dhh h ILE 186 Cb -0.05 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 34.65 3dhh h ILE 186 CO -0.08 0.42 0.48 0.28 -0.69 0.00 0.00 178.15 178.57 3dhh h SER 187 N 0.82 0.87 -0.07 1.72 0.02 -1.66 -1.91 113.55 113.33 3dhh h SER 187 Ca 0.13 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3dhh h SER 187 Cb 0.63 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3dhh h SER 187 CO 0.04 0.64 -0.01 0.58 -1.14 0.00 0.00 176.83 176.94 3dhh h VAL 188 N 1.01 0.94 -0.72 2.27 2.07 -0.97 0.32 116.25 121.18 3dhh h VAL 188 Ca 0.27 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.92 3dhh h VAL 188 Cb -0.10 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 30.51 3dhh h VAL 188 CO -0.06 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.81 3dhh h ALA 189 N 1.06 0.99 0.06 1.67 0.00 -0.68 0.13 119.26 122.48 3dhh h ALA 189 Ca 0.03 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3dhh h ALA 189 Cb 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dhh h ALA 189 CO -0.06 -0.21 -0.63 0.82 0.00 0.00 0.00 179.25 179.17 3dhh h ILE 190 N 0.43 1.47 -0.01 0.00 2.04 -1.13 -1.84 117.51 118.46 3dhh h ILE 190 Ca 0.39 -2.38 -0.13 0.00 1.00 0.00 0.00 64.86 63.74 3dhh h ILE 190 Cb 0.57 3.06 0.01 0.00 -0.74 0.00 0.00 36.82 39.72 3dhh h ILE 190 CO -0.39 0.61 -0.49 0.24 0.00 0.00 0.00 178.15 178.12 3dhh h MET 191 N -0.72 0.35 0.00 2.37 2.86 -0.35 -0.26 114.93 119.17 3dhh h MET 191 Ca -0.14 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3dhh h MET 191 Cb 1.34 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.10 3dhh h MET 191 CO 0.02 1.04 -0.06 1.25 1.06 0.00 0.00 176.91 180.22 3dhh h LEU 192 N -0.19 0.00 -0.35 1.22 5.85 -0.89 -2.15 115.31 118.80 3dhh h LEU 192 Ca -0.06 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 3dhh h LEU 192 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3dhh h LEU 192 CO 0.10 0.22 -0.55 0.71 -0.34 0.00 0.00 178.44 178.59 3dhh h THR 193 N -0.39 1.28 0.00 1.05 1.35 -1.23 -0.36 112.91 114.61 3dhh h THR 193 Ca 0.00 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3dhh h THR 193 Cb 0.06 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3dhh h THR 193 CO 0.00 0.56 -0.01 0.15 -0.25 0.00 0.00 175.52 175.97 3dhh h PHE 194 N 0.62 0.00 0.48 4.73 3.57 -1.38 -3.06 116.94 121.90 3dhh h PHE 194 Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3dhh h PHE 194 Cb 1.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.89 3dhh h PHE 194 CO 0.07 0.00 -0.23 0.77 -2.23 0.00 0.00 178.31 176.69 3dhh h SER 195 N -0.35 -0.54 0.00 0.41 0.02 -1.11 -2.54 113.55 109.44 3dhh h SER 195 Ca 0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 3dhh h SER 195 Cb 0.01 0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3dhh h SER 195 CO 0.00 -0.31 -0.14 0.15 -1.14 0.00 0.00 176.83 175.40 3dhh h PHE 196 N -0.75 0.13 0.00 3.45 3.57 -1.11 -2.83 116.94 119.40 3dhh h PHE 196 Ca -0.07 -0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.26 3dhh h PHE 196 Cb 0.54 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3dhh h PHE 196 CO -0.02 0.90 -0.69 0.93 -2.23 0.00 0.00 178.31 177.19 3dhh h GLU 197 N -0.68 0.00 0.00 1.11 5.08 -1.14 -0.20 114.58 118.75 3dhh h GLU 197 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dhh h GLU 197 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dhh h GLU 197 CO 0.03 0.36 -1.35 0.25 -1.00 0.00 0.00 179.01 177.30 3dhh n THR 198 N -3.09 0.36 -0.01 1.13 -2.24 -0.96 -4.61 114.28 104.85 3dhh n THR 198 Ca -0.01 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.26 3dhh n THR 198 Cb 0.72 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3dhh n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhh n GLY 199 N 1.23 -0.55 0.09 3.38 0.00 -1.07 -4.77 105.19 103.50 3dhh n GLY 199 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 3dhh n GLY 199 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dhh n PHE 200 N -2.76 0.56 0.24 1.61 3.72 -0.14 -4.31 117.46 116.39 3dhh n PHE 200 Ca -0.02 0.20 0.10 0.00 -0.05 0.00 0.00 57.45 57.68 3dhh n PHE 200 Cb 0.07 -1.10 0.62 0.00 -0.94 0.00 0.00 39.48 38.12 3dhh n PHE 200 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dhh h THR 201 N 0.00 0.78 -0.54 4.37 1.35 -1.66 -1.22 112.91 115.98 3dhh h THR 201 Ca -0.41 -0.68 0.14 0.00 -0.55 0.00 0.00 66.41 64.91 3dhh h THR 201 Cb 2.11 1.41 -0.03 0.00 -1.73 0.00 0.00 68.15 69.92 3dhh h THR 201 CO 0.06 0.17 0.38 0.78 -0.25 0.00 0.00 175.52 176.66 3dhh h ASN 202 N 0.00 0.08 -0.30 5.36 2.35 -1.85 -0.57 115.58 120.65 3dhh h ASN 202 Ca -0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3dhh h ASN 202 Cb 0.40 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3dhh h ASN 202 CO 0.02 0.05 0.18 0.24 -1.65 0.00 0.00 177.43 176.27 3dhh h MET 203 N 0.09 0.36 0.07 0.81 2.86 -1.48 0.59 114.93 118.22 3dhh h MET 203 Ca 0.26 -0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.60 3dhh h MET 203 Cb 0.91 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3dhh h MET 203 CO -0.02 0.24 -1.43 0.37 1.06 0.00 0.00 176.91 177.12 3dhh h GLN 204 N 0.37 0.16 0.00 1.72 5.75 -1.47 -1.85 115.11 119.78 3dhh h GLN 204 Ca 0.12 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 3dhh h GLN 204 Cb -0.01 0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3dhh h GLN 204 CO -0.05 1.00 -1.41 1.19 -2.65 0.00 0.00 178.83 176.90 3dhh n PHE 205 N -3.37 0.00 0.00 3.99 3.01 -0.30 -4.08 117.46 116.71 3dhh n PHE 205 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3dhh n PHE 205 Cb 1.02 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 40.28 3dhh n PHE 205 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3dhh n LEU 206 N -1.82 1.30 -0.08 4.37 4.77 -0.14 -3.66 117.00 121.74 3dhh n LEU 206 Ca 0.01 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 3dhh n LEU 206 Cb 0.43 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3dhh n LEU 206 CO 0.43 0.18 0.72 1.23 -1.33 0.00 0.00 177.39 178.62 3dhh h GLY 207 N 0.00 -0.03 2.00 -0.72 0.00 -0.58 -2.13 103.07 101.62 3dhh h GLY 207 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 3dhh h GLY 207 CO 0.00 -0.19 -0.44 -2.00 0.00 0.00 0.00 176.54 173.91 3dhh h LEU 208 N -0.18 0.00 -0.84 3.11 5.85 -1.49 -2.70 115.31 119.06 3dhh h LEU 208 Ca 0.16 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3dhh h LEU 208 Cb 0.42 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3dhh h LEU 208 CO -0.41 0.44 0.56 0.00 -0.34 0.00 0.00 178.44 178.68 3dhh h ALA 209 N 1.56 1.08 -0.25 1.25 0.00 -1.61 0.72 119.26 122.01 3dhh h ALA 209 Ca -0.00 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3dhh h ALA 209 Cb 0.80 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3dhh h ALA 209 CO 0.06 0.45 0.13 0.00 0.00 0.00 0.00 179.25 179.89 3dhh h ALA 210 N 1.32 0.31 -0.74 0.00 0.00 -1.07 -0.22 119.26 118.86 3dhh h ALA 210 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dhh h ALA 210 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3dhh h ALA 210 CO -0.08 -0.27 0.45 -0.44 0.00 0.00 0.00 179.25 178.91 3dhh h ASP 211 N 0.27 0.89 -0.68 0.00 5.19 -1.37 -0.85 116.42 119.86 3dhh h ASP 211 Ca 0.10 -0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.48 3dhh h ASP 211 Cb 0.03 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.27 3dhh h ASP 211 CO -0.07 0.69 0.42 0.00 -3.12 0.00 0.00 179.24 177.16 3dhh h ALA 212 N 1.24 0.89 -0.40 3.45 0.00 -0.51 0.11 119.26 124.04 3dhh h ALA 212 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3dhh h ALA 212 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3dhh h ALA 212 CO -0.05 0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.51 3dhh h ALA 213 N 1.30 0.52 -0.68 0.00 0.00 -0.83 0.02 119.26 119.60 3dhh h ALA 213 Ca 0.28 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3dhh h ALA 213 Cb 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3dhh h ALA 213 CO -0.11 0.16 0.45 0.93 0.00 0.00 0.00 179.25 180.68 3dhh h GLU 214 N 0.50 0.81 0.00 0.00 4.39 -0.63 -1.34 114.58 118.30 3dhh h GLU 214 Ca 0.13 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3dhh h GLU 214 Cb 0.25 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3dhh h GLU 214 CO -0.00 0.54 0.00 0.00 -1.16 0.00 0.00 179.01 178.38 3dhh n ALA 215 N -2.44 2.34 -1.39 3.43 0.00 0.34 -4.85 120.51 117.93 3dhh n ALA 215 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 3dhh n ALA 215 Cb 0.11 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 3dhh n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhh n GLY 216 N 0.91 0.65 3.26 0.00 0.00 -0.51 -4.98 105.19 104.52 3dhh n GLY 216 Ca 0.13 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3dhh n GLY 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dhh s ASP 217 N -2.89 6.74 0.24 1.61 -1.08 -0.10 -4.87 116.67 116.32 3dhh s ASP 217 Ca 0.00 -3.47 0.12 0.00 -0.52 0.00 0.00 52.55 48.68 3dhh s ASP 217 Cb 0.00 -2.10 0.10 0.00 -1.46 0.00 0.00 42.92 39.46 3dhh s ASP 217 CO 0.00 -0.30 1.45 1.88 0.52 0.00 0.00 175.17 178.72 3dhh h TYR 218 N 6.64 0.00 -0.53 -5.34 0.05 -1.92 -1.96 116.97 113.91 3dhh h TYR 218 Ca 0.15 0.00 0.07 0.00 0.05 0.00 0.00 58.73 59.00 3dhh h TYR 218 Cb 0.88 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.57 3dhh h TYR 218 CO 0.78 0.67 0.22 1.15 -1.05 0.00 0.00 178.16 179.93 3dhh h THR 219 N 0.00 0.86 0.02 -2.88 2.02 -1.89 0.28 112.91 111.31 3dhh h THR 219 Ca -0.01 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3dhh h THR 219 Cb 1.41 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3dhh h THR 219 CO 0.09 0.08 -0.35 0.15 0.37 0.00 0.00 175.52 175.85 3dhh h PHE 220 N 0.42 0.33 -0.86 3.16 3.57 -1.95 -2.20 116.94 119.40 3dhh h PHE 220 Ca 0.25 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3dhh h PHE 220 Cb 0.25 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3dhh h PHE 220 CO -0.14 1.03 0.57 0.00 -2.23 0.00 0.00 178.31 177.53 3dhh h ALA 221 N 0.22 1.10 -0.76 2.41 0.00 -1.29 -1.36 119.26 119.59 3dhh h ALA 221 Ca -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3dhh h ALA 221 Cb 1.14 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3dhh h ALA 221 CO 0.07 0.51 0.29 -0.97 0.00 0.00 0.00 179.25 179.14 3dhh h ASN 222 N 1.17 1.06 0.30 0.00 -1.24 -1.00 -1.95 115.58 113.92 3dhh h ASN 222 Ca 0.32 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 3dhh h ASN 222 Cb -0.13 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 38.65 3dhh h ASN 222 CO -0.07 0.95 -0.15 0.25 -1.29 0.00 0.00 177.43 177.13 3dhh h LEU 223 N 1.10 -0.35 -0.65 0.34 5.85 -0.93 -2.06 115.31 118.62 3dhh h LEU 223 Ca 0.25 -0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3dhh h LEU 223 Cb 0.23 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3dhh h LEU 223 CO -0.02 -0.08 -0.59 0.16 -0.34 0.00 0.00 178.44 177.57 3dhh h ILE 224 N -0.61 1.37 -0.16 4.05 3.07 -1.20 -1.36 117.51 122.67 3dhh h ILE 224 Ca -0.04 -1.94 -0.13 0.00 1.55 0.00 0.00 64.86 64.30 3dhh h ILE 224 Cb 0.44 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.94 3dhh h ILE 224 CO 0.07 0.58 -0.45 0.77 -1.05 0.00 0.00 178.15 178.07 3dhh h SER 225 N 0.21 0.41 -0.52 2.16 4.64 -1.42 -1.61 113.55 117.42 3dhh h SER 225 Ca -0.00 -0.19 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 3dhh h SER 225 Cb 1.09 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3dhh h SER 225 CO 0.09 0.80 -0.02 -1.28 -0.87 0.00 0.00 176.83 175.56 3dhh h SER 226 N 0.31 0.92 -0.54 4.97 0.87 -1.00 -2.71 113.55 116.37 3dhh h SER 226 Ca 0.02 -0.32 0.07 0.00 -1.23 0.00 0.00 61.79 60.33 3dhh h SER 226 Cb 0.91 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 62.57 3dhh h SER 226 CO 0.08 1.01 0.23 0.40 -0.53 0.00 0.00 176.83 178.02 3dhh h ILE 227 N 0.80 0.86 0.00 2.23 2.04 -1.16 -2.26 117.51 120.03 3dhh h ILE 227 Ca 0.14 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3dhh h ILE 227 Cb 0.56 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3dhh h ILE 227 CO 0.03 0.08 -0.09 -0.61 0.00 0.00 0.00 178.15 177.56 3dhh h GLN 228 N 0.43 0.00 -0.46 2.37 5.75 -1.05 -1.70 115.11 120.46 3dhh h GLN 228 Ca 0.26 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.77 3dhh h GLN 228 Cb 0.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 3dhh h GLN 228 CO -0.23 0.09 0.31 1.79 -2.65 0.00 0.00 178.83 178.14 3dhh h THR 229 N 0.00 1.10 -0.14 2.39 1.35 -1.10 -0.77 112.91 115.75 3dhh h THR 229 Ca -0.00 -0.21 -0.06 0.00 -0.55 0.00 0.00 66.41 65.59 3dhh h THR 229 Cb 0.30 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 3dhh h THR 229 CO 0.01 0.11 -0.16 0.44 -0.25 0.00 0.00 175.52 175.67 3dhh h ASP 230 N 0.60 0.38 -0.58 5.36 3.32 -1.37 -3.25 116.42 120.89 3dhh h ASP 230 Ca 0.17 -0.50 0.08 0.00 0.02 0.00 0.00 57.03 56.80 3dhh h ASP 230 Cb -0.03 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 3dhh h ASP 230 CO -0.04 0.80 0.25 -0.08 -1.72 0.00 0.00 179.24 178.45 3dhh h GLU 231 N -0.03 0.45 -0.78 3.56 4.57 -1.32 -1.28 114.58 119.75 3dhh h GLU 231 Ca 0.02 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 3dhh h GLU 231 Cb 0.70 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 3dhh h GLU 231 CO 0.04 0.30 0.52 0.77 -1.18 0.00 0.00 179.01 179.45 3dhh h SER 232 N 0.46 0.45 0.27 1.04 0.02 -1.18 0.41 113.55 115.02 3dhh h SER 232 Ca 0.28 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3dhh h SER 232 Cb 0.29 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3dhh h SER 232 CO -0.25 0.23 -0.13 -0.09 -1.14 0.00 0.00 176.83 175.45 3dhh h ARG 233 N 0.47 -0.35 0.00 3.45 2.43 -1.37 -3.37 114.38 115.65 3dhh h ARG 233 Ca 0.39 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3dhh h ARG 233 Cb 0.82 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3dhh h ARG 233 CO -0.14 -0.21 -0.01 1.12 -1.51 0.00 0.00 179.97 179.23 3dhh h HIS 234 N -1.09 0.00 0.00 2.20 2.07 -1.03 -2.27 115.15 115.03 3dhh h HIS 234 Ca -0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 3dhh h HIS 234 Cb 0.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.29 3dhh h HIS 234 CO 0.01 0.01 0.00 0.00 -3.07 0.00 0.00 177.93 174.88 3dhh h ALA 235 N 1.99 1.00 0.00 6.11 0.00 -0.36 -2.70 119.26 125.29 3dhh h ALA 235 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dhh h ALA 235 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dhh h ALA 235 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 3dhh n GLN 236 N -3.08 0.88 0.19 0.00 1.13 -0.85 -2.92 117.38 112.73 3dhh n GLN 236 Ca -0.01 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.12 3dhh n GLN 236 Cb 0.19 -1.09 0.26 0.00 0.11 0.00 0.00 30.24 29.71 3dhh n GLN 236 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3dhh h GLN 237 N 0.02 0.00 0.03 -1.09 4.20 -1.68 -3.39 115.11 113.20 3dhh h GLN 237 Ca 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3dhh h GLN 237 Cb 0.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.87 3dhh h GLN 237 CO 0.00 0.29 -0.28 0.78 -0.67 0.00 0.00 178.83 178.96 3dhh h GLY 238 N 2.89 0.15 0.11 3.46 0.00 -1.68 -3.24 103.07 104.76 3dhh h GLY 238 Ca -0.00 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.06 3dhh h GLY 238 CO 0.04 0.28 -0.28 -1.33 0.00 0.00 0.00 176.54 175.26 3dhh h GLY 239 N -0.66 -0.26 1.37 4.60 0.00 -1.80 0.52 103.07 106.84 3dhh h GLY 239 Ca -0.04 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.65 3dhh h GLY 239 CO 0.05 -0.21 0.39 -0.56 0.00 0.00 0.00 176.54 176.22 3dhh h PRO 240 N -0.30 0.74 -0.52 4.80 0.13 -1.78 -0.23 132.00 134.84 3dhh h PRO 240 Ca 0.13 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 3dhh h PRO 240 Cb 0.50 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 3dhh h PRO 240 CO -0.39 0.49 0.16 0.00 -0.23 0.00 0.00 178.00 178.03 3dhh h ALA 241 N 1.64 0.68 -0.35 -0.56 0.00 -1.32 -1.86 119.26 117.50 3dhh h ALA 241 Ca 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dhh h ALA 241 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3dhh h ALA 241 CO -0.05 0.34 0.22 -0.07 0.00 0.00 0.00 179.25 179.69 3dhh h LEU 242 N 0.71 0.40 -0.28 0.00 3.38 -0.26 -0.76 115.31 118.51 3dhh h LEU 242 Ca 0.17 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3dhh h LEU 242 Cb 0.28 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3dhh h LEU 242 CO -0.01 0.30 0.08 1.56 0.09 0.00 0.00 178.44 180.47 3dhh h GLN 243 N 0.46 0.20 -0.42 1.13 4.20 -0.96 -1.22 115.11 118.50 3dhh h GLN 243 Ca 0.13 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.84 3dhh h GLN 243 Cb -0.04 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3dhh h GLN 243 CO -0.03 0.13 0.24 1.25 -0.67 0.00 0.00 178.83 179.75 3dhh h LEU 244 N 0.20 0.38 -0.37 1.46 6.46 -1.15 -1.21 115.31 121.08 3dhh h LEU 244 Ca 0.13 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3dhh h LEU 244 Cb 0.11 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3dhh h LEU 244 CO -0.14 0.28 0.18 -0.07 -0.62 0.00 0.00 178.44 178.06 3dhh h LEU 245 N 0.49 0.25 -0.26 2.25 3.38 -0.85 -1.09 115.31 119.48 3dhh h LEU 245 Ca 0.17 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3dhh h LEU 245 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3dhh h LEU 245 CO -0.08 0.18 0.15 0.40 0.09 0.00 0.00 178.44 179.18 3dhh h ILE 246 N 0.36 1.03 -0.33 1.22 2.04 -0.99 0.69 117.51 121.53 3dhh h ILE 246 Ca 0.16 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.99 3dhh h ILE 246 Cb 0.08 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3dhh h ILE 246 CO -0.12 0.06 0.23 -0.33 0.00 0.00 0.00 178.15 177.99 3dhh h GLU 247 N 0.31 0.11 -0.84 2.37 5.08 -1.02 -2.51 114.58 118.08 3dhh h GLU 247 Ca 0.10 -0.01 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 3dhh h GLU 247 Cb -0.01 -0.02 -0.23 0.00 0.50 0.00 0.00 28.75 28.99 3dhh h GLU 247 CO -0.05 0.07 0.45 0.09 -1.00 0.00 0.00 179.01 178.58 3dhh n ASN 248 N -4.46 4.01 -0.49 1.42 4.13 -0.43 -4.94 115.26 114.50 3dhh n ASN 248 Ca 0.04 -3.49 -0.06 0.00 1.68 0.00 0.00 54.58 52.76 3dhh n ASN 248 Cb 0.33 -0.79 -0.02 0.00 -1.54 0.00 0.00 39.78 37.77 3dhh n ASN 248 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dhh n GLY 249 N -0.80 0.66 1.02 7.41 0.00 -0.94 -4.93 105.19 107.61 3dhh n GLY 249 Ca 0.51 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 3dhh n GLY 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dhh n LYS 250 N -2.53 1.86 -0.24 1.61 4.76 0.19 -4.78 118.16 119.03 3dhh n LYS 250 Ca -0.06 -3.16 -0.03 0.00 -2.87 0.00 0.00 58.31 52.19 3dhh n LYS 250 Cb 0.27 -1.78 0.08 0.00 -1.84 0.00 0.00 35.03 31.77 3dhh n LYS 250 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3dhh h ARG 251 N 1.03 0.76 -0.38 1.97 2.43 -1.79 -1.21 114.38 117.18 3dhh h ARG 251 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3dhh h ARG 251 Cb 1.53 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3dhh h ARG 251 CO 0.31 0.50 0.19 1.49 -1.51 0.00 0.00 179.97 180.95 3dhh h GLU 252 N 0.78 0.53 -0.71 0.20 4.57 -1.95 0.76 114.58 118.76 3dhh h GLU 252 Ca 0.29 -0.07 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3dhh h GLU 252 Cb 0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3dhh h GLU 252 CO -0.14 0.46 0.16 0.93 -1.18 0.00 0.00 179.01 179.25 3dhh h GLU 253 N 0.47 1.15 -0.05 1.92 3.07 -1.89 -1.73 114.58 117.53 3dhh h GLU 253 Ca 0.13 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3dhh h GLU 253 Cb 0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3dhh h GLU 253 CO -0.02 1.01 0.02 0.00 -1.40 0.00 0.00 179.01 178.62 3dhh h ALA 254 N 1.08 0.06 -0.44 3.43 0.00 -0.78 -2.54 119.26 120.07 3dhh h ALA 254 Ca 0.22 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dhh h ALA 254 Cb 0.39 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3dhh h ALA 254 CO 0.00 -0.36 0.18 0.37 0.00 0.00 0.00 179.25 179.44 3dhh h GLN 255 N -0.08 0.35 -0.95 0.00 5.75 -0.73 -1.55 115.11 117.90 3dhh h GLN 255 Ca 0.02 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3dhh h GLN 255 Cb 0.16 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 28.58 3dhh h GLN 255 CO -0.00 0.23 0.63 0.87 -2.65 0.00 0.00 178.83 177.91 3dhh h LYS 256 N 0.36 1.20 -0.23 1.69 1.57 -1.27 0.33 116.57 120.23 3dhh h LYS 256 Ca 0.20 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 3dhh h LYS 256 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3dhh h LYS 256 CO -0.19 0.80 -0.09 0.87 -0.57 0.00 0.00 179.45 180.27 3dhh h LYS 257 N 1.24 0.46 0.10 3.15 1.57 -1.00 -1.41 116.57 120.68 3dhh h LYS 257 Ca 0.36 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3dhh h LYS 257 Cb -0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 3dhh h LYS 257 CO -0.10 0.72 -0.16 0.28 -0.57 0.00 0.00 179.45 179.63 3dhh h VAL 258 N 0.18 0.63 -0.88 0.50 2.07 -1.06 -1.68 116.25 116.02 3dhh h VAL 258 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 3dhh h VAL 258 Cb 0.58 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.91 3dhh h VAL 258 CO 0.03 0.00 0.54 0.44 0.02 0.00 0.00 177.57 178.60 3dhh h ASP 259 N -0.32 0.84 -0.20 0.57 3.32 -0.90 -1.29 116.42 118.45 3dhh h ASP 259 Ca 0.02 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3dhh h ASP 259 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3dhh h ASP 259 CO -0.08 0.52 -0.01 -0.03 -1.72 0.00 0.00 179.24 177.92 3dhh h MET 260 N 0.97 0.35 -0.57 3.56 1.85 -1.15 -2.96 114.93 116.98 3dhh h MET 260 Ca 0.40 -0.12 -0.09 0.00 -0.61 0.00 0.00 59.70 59.28 3dhh h MET 260 Cb 0.23 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 3dhh h MET 260 CO -0.19 0.56 0.01 0.00 -0.40 0.00 0.00 176.91 176.89 3dhh h ALA 261 N 0.77 0.93 -0.35 0.39 0.00 -0.87 -2.05 119.26 118.08 3dhh h ALA 261 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3dhh h ALA 261 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3dhh h ALA 261 CO 0.01 0.64 0.13 0.82 0.00 0.00 0.00 179.25 180.85 3dhh h ILE 262 N 0.91 1.20 -0.17 0.00 2.04 -1.30 -1.18 117.51 119.01 3dhh h ILE 262 Ca 0.17 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3dhh h ILE 262 Cb 0.52 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3dhh h ILE 262 CO 0.03 0.22 0.08 -0.25 0.00 0.00 0.00 178.15 178.22 3dhh h TRP 263 N 0.42 0.24 -0.66 1.37 2.91 -1.34 0.00 115.95 118.90 3dhh h TRP 263 Ca 0.12 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.16 3dhh h TRP 263 Cb 0.21 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.74 3dhh h TRP 263 CO 0.00 0.27 0.41 0.00 -1.03 0.00 0.00 178.44 178.09 3dhh h ARG 264 N 0.14 0.78 -0.42 2.65 3.08 -1.31 -2.26 114.38 117.04 3dhh h ARG 264 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3dhh h ARG 264 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3dhh h ARG 264 CO -0.01 0.52 0.20 0.00 -1.07 0.00 0.00 179.97 179.61 3dhh h ALA 265 N 1.29 0.55 -0.32 0.04 0.00 -1.04 -3.17 119.26 116.60 3dhh h ALA 265 Ca 0.27 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3dhh h ALA 265 Cb 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3dhh h ALA 265 CO -0.11 0.11 -0.08 2.35 0.00 0.00 0.00 179.25 181.52 3dhh h TRP 266 N 0.54 -0.18 -0.46 0.00 -0.00 -0.43 -1.26 115.95 114.16 3dhh h TRP 266 Ca 0.15 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 59.02 3dhh h TRP 266 Cb 0.12 0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.39 3dhh h TRP 266 CO -0.01 -0.14 0.11 0.00 -0.00 0.00 0.00 178.44 178.39 3dhh h ARG 267 N -0.01 0.69 -0.22 2.65 2.47 -1.43 0.12 114.38 118.66 3dhh h ARG 267 Ca 0.15 -0.13 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 3dhh h ARG 267 Cb 0.24 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3dhh h ARG 267 CO -0.33 0.63 -0.12 1.25 0.56 0.00 0.00 179.97 181.96 3dhh h LEU 268 N 0.67 0.49 -1.43 3.04 5.85 -1.46 -2.93 115.31 119.55 3dhh h LEU 268 Ca 0.15 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3dhh h LEU 268 Cb 0.26 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3dhh h LEU 268 CO -0.00 0.80 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.60 3dhh h PHE 269 N 0.18 0.32 -0.21 1.25 -1.00 -0.80 -2.02 116.94 114.66 3dhh h PHE 269 Ca 0.05 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 3dhh h PHE 269 Cb 0.62 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3dhh h PHE 269 CO 0.07 0.37 -0.08 0.00 -1.61 0.00 0.00 178.31 177.06 3dhh h ALA 270 N 1.66 1.48 0.05 2.45 0.00 -0.90 0.20 119.26 124.20 3dhh h ALA 270 Ca 0.07 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.51 3dhh h ALA 270 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3dhh h ALA 270 CO 0.01 0.37 -1.39 -0.24 0.00 0.00 0.00 179.25 178.00 3dhh h VAL 271 N 0.31 1.27 0.00 0.00 3.04 -1.24 -3.28 116.25 116.36 3dhh h VAL 271 Ca 0.07 -2.99 -0.02 0.00 -1.01 0.00 0.00 66.70 62.75 3dhh h VAL 271 Cb 0.34 2.71 -0.00 0.00 -2.01 0.00 0.00 31.29 32.33 3dhh h VAL 271 CO 0.02 0.79 -0.65 -0.11 -1.01 0.00 0.00 177.57 176.61 3dhh n LEU 272 N -3.32 1.83 0.09 3.16 7.94 -0.81 -4.48 117.00 121.41 3dhh n LEU 272 Ca -0.11 0.58 -0.18 0.00 -1.11 0.00 0.00 56.01 55.19 3dhh n LEU 272 Cb 1.01 -0.86 -0.14 0.00 0.53 0.00 0.00 43.42 43.96 3dhh n LEU 272 CO 0.48 -0.38 -0.23 0.74 -1.11 0.00 0.00 177.39 176.88 3dhh h THR 273 N -1.00 1.28 0.25 1.96 2.02 -1.22 -3.16 112.91 113.05 3dhh h THR 273 Ca -0.03 -2.86 0.01 0.00 0.77 0.00 0.00 66.41 64.29 3dhh h THR 273 Cb 0.64 2.86 -0.04 0.00 -1.74 0.00 0.00 68.15 69.88 3dhh h THR 273 CO -0.02 0.85 -0.48 1.23 0.37 0.00 0.00 175.52 177.46 3dhh h GLY 274 N 1.39 -1.09 1.70 2.16 0.00 -1.43 -0.15 103.07 105.66 3dhh h GLY 274 Ca -0.21 0.58 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 3dhh h GLY 274 CO 0.19 -0.30 -0.10 -2.55 0.00 0.00 0.00 176.54 173.78 3dhh h PRO 275 N -0.81 0.37 -0.23 4.80 0.11 -1.72 -2.01 132.00 132.52 3dhh h PRO 275 Ca -0.02 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3dhh h PRO 275 Cb 0.77 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3dhh h PRO 275 CO -0.20 0.48 0.15 0.28 -0.21 0.00 0.00 178.00 178.50 3dhh h VAL 276 N 0.35 1.07 0.00 3.15 2.07 -1.40 -0.41 116.25 121.08 3dhh h VAL 276 Ca 0.07 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.23 3dhh h VAL 276 Cb 0.40 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3dhh h VAL 276 CO 0.02 0.07 -0.92 0.24 0.02 0.00 0.00 177.57 177.00 3dhh h MET 277 N 0.30 0.33 -0.01 1.57 2.86 -0.64 -1.44 114.93 117.89 3dhh h MET 277 Ca 0.08 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3dhh h MET 277 Cb -0.02 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3dhh h MET 277 CO -0.02 1.05 -0.58 -0.25 1.06 0.00 0.00 176.91 178.17 3dhh n ASP 278 N -3.71 1.22 0.00 1.22 8.00 -0.79 -4.67 116.55 117.81 3dhh n ASP 278 Ca -0.05 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.34 3dhh n ASP 278 Cb 0.82 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.67 3dhh n ASP 278 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3dhh n TYR 279 N -0.78 0.00 -0.00 1.24 4.01 -0.30 -4.95 117.16 116.38 3dhh n TYR 279 Ca 0.05 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 3dhh n TYR 279 Cb 0.31 0.28 -0.10 0.00 -0.31 0.00 0.00 39.34 39.52 3dhh n TYR 279 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3dhh h TYR 280 N 0.00 0.75 -2.66 -0.72 0.99 -1.03 -3.40 116.97 110.91 3dhh h TYR 280 Ca 0.00 -0.38 -0.52 0.00 2.00 0.00 0.00 58.73 59.83 3dhh h TYR 280 Cb 0.23 -0.10 0.05 0.00 1.00 0.00 0.00 36.73 37.91 3dhh h TYR 280 CO 0.00 1.19 1.01 0.99 -0.00 0.00 0.00 178.16 181.35 3dhh s THR 281 N -3.42 2.27 0.36 -2.88 2.01 -0.56 -3.88 115.64 109.55 3dhh s THR 281 Ca -0.12 0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 3dhh s THR 281 Cb 0.05 -3.07 -0.12 0.00 0.01 0.00 0.00 72.50 69.37 3dhh s THR 281 CO 0.85 0.01 1.12 -2.65 -0.69 0.00 0.00 174.62 173.25 3dhh n PRO 282 N 4.43 1.64 -0.29 4.92 -0.02 -1.26 -4.83 135.00 139.59 3dhh n PRO 282 Ca 0.16 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 3dhh n PRO 282 Cb 0.37 -2.10 0.26 0.00 -0.02 0.00 0.00 33.50 32.01 3dhh n PRO 282 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dhh h LEU 283 N 2.01 0.00 -2.58 2.45 5.85 -1.91 0.14 115.31 121.28 3dhh h LEU 283 Ca -0.44 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3dhh h LEU 283 Cb 1.32 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3dhh h LEU 283 CO 0.60 -0.13 0.00 -0.33 -0.34 0.00 0.00 178.44 178.24 3dhh h GLU 284 N 0.23 0.00 -0.38 1.25 3.07 -2.01 -2.76 114.58 113.97 3dhh h GLU 284 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3dhh h GLU 284 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 3dhh h GLU 284 CO -0.62 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.74 3dhh n ASP 285 N -3.03 3.21 -4.50 1.42 10.43 0.50 -4.89 116.55 119.68 3dhh n ASP 285 Ca -0.02 -1.92 -0.42 0.00 2.57 0.00 0.00 54.79 55.00 3dhh n ASP 285 Cb 0.12 -0.25 -0.03 0.00 1.84 0.00 0.00 41.12 42.80 3dhh n ASP 285 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3dhh s ARG 286 N -1.22 3.31 0.19 -1.24 0.52 -1.04 -4.44 118.95 115.03 3dhh s ARG 286 Ca 0.33 -0.86 -0.13 0.00 -0.52 0.00 0.00 55.73 54.55 3dhh s ARG 286 Cb 0.19 -4.56 0.11 0.00 0.52 0.00 0.00 34.95 31.20 3dhh s ARG 286 CO 0.26 -2.00 1.84 1.03 0.02 0.00 0.00 175.30 176.45 3dhh h SER 287 N 9.64 0.63 -5.23 0.23 0.87 -1.90 -3.44 113.55 114.35 3dhh h SER 287 Ca -0.11 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.35 3dhh h SER 287 Cb 1.04 -0.15 -0.12 0.00 -0.44 0.00 0.00 62.40 62.73 3dhh h SER 287 CO 1.25 0.45 -0.28 -1.10 -0.53 0.00 0.00 176.83 176.62 3dhh s GLN 288 N -6.14 1.14 0.77 2.24 -0.21 -1.26 -5.12 119.66 111.08 3dhh s GLN 288 Ca -0.13 -1.10 -0.11 0.00 0.02 0.00 0.00 55.36 54.04 3dhh s GLN 288 Cb 0.13 0.39 0.05 0.00 1.00 0.00 0.00 33.01 34.59 3dhh s GLN 288 CO 0.75 -0.42 1.08 -1.54 -2.12 0.00 0.00 175.29 173.04 3dhh s SER 289 N -2.94 4.68 0.23 5.90 1.04 -1.26 -4.83 113.70 116.53 3dhh s SER 289 Ca 0.14 1.58 -0.08 0.00 0.48 0.00 0.00 55.95 58.08 3dhh s SER 289 Cb 0.03 -2.35 0.38 0.00 0.10 0.00 0.00 66.02 64.18 3dhh s SER 289 CO -0.02 -1.88 1.68 0.15 0.98 0.00 0.00 173.24 174.14 3dhh h PHE 290 N -1.03 0.13 -0.67 5.02 3.57 -1.89 -0.15 116.94 121.92 3dhh h PHE 290 Ca -0.45 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 3dhh h PHE 290 Cb 1.24 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 3dhh h PHE 290 CO 0.55 -0.12 0.11 -0.22 -2.23 0.00 0.00 178.31 176.40 3dhh h LYS 291 N 0.20 1.10 -0.40 1.11 3.64 -1.92 0.52 116.57 120.82 3dhh h LYS 291 Ca 0.37 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3dhh h LYS 291 Cb 0.62 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3dhh h LYS 291 CO -0.52 1.01 0.13 0.93 -2.27 0.00 0.00 179.45 178.73 3dhh h GLU 292 N 1.02 0.63 -0.71 1.90 5.08 -1.71 -1.10 114.58 119.69 3dhh h GLU 292 Ca 0.20 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3dhh h GLU 292 Cb 0.44 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3dhh h GLU 292 CO 0.01 0.63 0.36 0.74 -1.00 0.00 0.00 179.01 179.75 3dhh h PHE 293 N 0.51 1.00 -0.41 4.33 0.05 -0.82 -1.39 116.94 120.20 3dhh h PHE 293 Ca 0.13 -0.04 0.07 0.00 3.82 0.00 0.00 57.97 61.95 3dhh h PHE 293 Cb 0.26 -0.31 -0.06 0.00 2.00 0.00 0.00 35.95 37.84 3dhh h PHE 293 CO 0.01 0.72 0.08 0.52 -0.18 0.00 0.00 178.31 179.46 3dhh h MET 294 N 0.98 0.20 -0.17 1.51 2.86 -0.60 0.58 114.93 120.28 3dhh h MET 294 Ca 0.25 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.81 3dhh h MET 294 Cb 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3dhh h MET 294 CO -0.04 0.13 -0.16 1.88 1.06 0.00 0.00 176.91 179.78 3dhh h TYR 295 N 0.20 0.31 0.20 -0.22 0.05 -0.78 0.36 116.97 117.10 3dhh h TYR 295 Ca 0.20 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 3dhh h TYR 295 Cb 0.25 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3dhh h TYR 295 CO -0.21 0.45 -0.10 1.49 -1.05 0.00 0.00 178.16 178.74 3dhh h GLU 296 N 0.27 -0.26 0.12 4.88 4.81 -0.85 0.26 114.58 123.80 3dhh h GLU 296 Ca 0.05 0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.02 3dhh h GLU 296 Cb 0.45 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 3dhh h GLU 296 CO 0.03 0.13 -1.43 -1.49 -0.73 0.00 0.00 179.01 175.51 3dhh h TRP 297 N -0.81 0.45 0.06 0.92 4.06 -0.81 -1.92 115.95 117.90 3dhh h TRP 297 Ca -0.03 -0.33 -0.31 0.00 2.06 0.00 0.00 58.89 60.28 3dhh h TRP 297 Cb 0.51 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 3dhh h TRP 297 CO 0.06 1.56 -1.70 -0.89 -3.56 0.00 0.00 178.44 173.92 3dhh n ILE 298 N -3.90 1.64 -0.06 1.49 2.08 0.12 -1.26 119.36 119.47 3dhh n ILE 298 Ca -0.25 -0.34 -0.03 0.00 0.56 0.00 0.00 62.75 62.69 3dhh n ILE 298 Cb 0.91 -1.88 -0.02 0.00 -0.75 0.00 0.00 39.64 37.90 3dhh n ILE 298 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3dhh h ILE 299 N -0.50 0.16 -0.61 1.39 2.04 -1.48 0.08 117.51 118.60 3dhh h ILE 299 Ca -0.41 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.23 3dhh h ILE 299 Cb 1.66 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3dhh h ILE 299 CO -0.09 0.06 0.08 1.23 0.00 0.00 0.00 178.15 179.42 3dhh h GLY 300 N -1.00 1.09 0.00 5.37 0.00 -0.54 -3.26 103.07 104.73 3dhh h GLY 300 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3dhh h GLY 300 CO -0.01 0.67 -0.68 -0.18 0.00 0.00 0.00 176.54 176.35 3dhh n GLN 301 N -4.21 0.40 0.03 4.80 7.27 -0.72 -4.33 117.38 120.61 3dhh n GLN 301 Ca 0.04 0.25 -0.13 0.00 0.07 0.00 0.00 57.00 57.23 3dhh n GLN 301 Cb 0.29 -1.30 -0.09 0.00 2.41 0.00 0.00 30.24 31.56 3dhh n GLN 301 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3dhh h PHE 302 N -0.78 -0.06 -0.72 3.69 3.57 -1.11 -2.29 116.94 119.23 3dhh h PHE 302 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 3dhh h PHE 302 Cb 0.68 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 3dhh h PHE 302 CO -0.29 0.25 0.48 0.93 -2.23 0.00 0.00 178.31 177.45 3dhh h GLU 303 N -0.37 0.92 -0.63 1.11 4.39 -1.02 -0.33 114.58 118.64 3dhh h GLU 303 Ca -0.01 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 3dhh h GLU 303 Cb 0.34 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3dhh h GLU 303 CO 0.01 0.61 0.15 -0.09 -1.16 0.00 0.00 179.01 178.53 3dhh h ARG 304 N 0.95 0.98 -0.61 2.33 9.65 -1.58 -1.78 114.38 124.31 3dhh h ARG 304 Ca 0.27 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3dhh h ARG 304 Cb -0.06 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 3dhh h ARG 304 CO -0.07 0.87 0.22 0.66 2.80 0.00 0.00 179.97 184.46 3dhh h SER 305 N 0.94 0.86 -0.60 -3.80 4.64 -0.62 -1.73 113.55 113.23 3dhh h SER 305 Ca 0.20 -0.19 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3dhh h SER 305 Cb 0.33 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3dhh h SER 305 CO -0.00 0.81 0.19 0.25 -0.87 0.00 0.00 176.83 177.21 3dhh h LEU 306 N 0.85 0.87 -0.82 5.97 6.46 -0.88 -1.76 115.31 126.01 3dhh h LEU 306 Ca 0.20 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 3dhh h LEU 306 Cb 0.24 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3dhh h LEU 306 CO -0.01 0.85 0.36 0.40 -0.62 0.00 0.00 178.44 179.41 3dhh h ILE 307 N 0.85 1.26 -0.14 4.05 2.04 -1.27 -2.47 117.51 121.83 3dhh h ILE 307 Ca 0.19 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3dhh h ILE 307 Cb 0.28 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3dhh h ILE 307 CO -0.01 0.33 -0.05 -0.78 0.00 0.00 0.00 178.15 177.64 3dhh h ASP 308 N 1.18 0.18 0.39 1.72 1.82 -0.69 -1.27 116.42 119.75 3dhh h ASP 308 Ca 0.28 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 3dhh h ASP 308 Cb 0.17 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.14 3dhh h ASP 308 CO -0.03 0.27 0.00 0.18 -1.61 0.00 0.00 179.24 178.06 3dhh n LEU 309 N -4.36 0.00 0.00 2.28 4.77 -0.72 -4.90 117.00 114.07 3dhh n LEU 309 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3dhh n LEU 309 Cb 0.20 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3dhh n LEU 309 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3dhh n GLY 310 N 1.15 0.79 3.93 -0.72 0.00 -0.48 -4.87 105.19 105.00 3dhh n GLY 310 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3dhh n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dhh s LEU 311 N 0.00 2.96 0.18 0.99 1.43 -0.96 -5.03 118.68 118.26 3dhh s LEU 311 Ca 0.00 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 3dhh s LEU 311 Cb 0.00 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 3dhh s LEU 311 CO 0.00 -1.43 0.26 -1.81 0.23 0.00 0.00 176.35 173.60 3dhh s ASP 312 N -4.46 6.11 0.45 2.29 1.01 -1.26 -4.28 116.67 116.53 3dhh s ASP 312 Ca 0.58 0.06 -0.24 0.00 0.71 0.00 0.00 52.55 53.66 3dhh s ASP 312 Cb -0.11 -1.77 -0.09 0.00 1.01 0.00 0.00 42.92 41.97 3dhh s ASP 312 CO 0.44 0.02 1.25 0.29 0.21 0.00 0.00 175.17 177.38 3dhh n LYS 313 N -0.74 1.81 -1.48 8.23 5.02 -1.26 -4.92 118.16 124.82 3dhh n LYS 313 Ca -0.08 0.65 -0.34 0.00 -2.02 0.00 0.00 58.31 56.52 3dhh n LYS 313 Cb 0.55 -2.38 0.08 0.00 -0.02 0.00 0.00 35.03 33.26 3dhh n LYS 313 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dhh s PRO 314 N -2.33 2.27 0.43 1.97 0.04 -1.26 -4.87 135.00 131.25 3dhh s PRO 314 Ca 0.63 1.63 0.16 0.00 0.04 0.00 0.00 61.00 63.47 3dhh s PRO 314 Cb -0.49 -1.86 1.08 0.00 0.04 0.00 0.00 34.50 33.27 3dhh s PRO 314 CO 0.56 -1.71 1.92 0.11 0.04 0.00 0.00 177.00 177.92 3dhh h TRP 315 N -0.30 0.45 -0.37 0.56 5.08 -1.98 -2.27 115.95 117.13 3dhh h TRP 315 Ca -0.47 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3dhh h TRP 315 Cb 1.28 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3dhh h TRP 315 CO 0.50 0.17 0.00 2.48 -1.28 0.00 0.00 178.44 180.31 3dhh n TYR 316 N -4.47 1.30 -0.21 0.12 0.18 -1.26 -4.63 117.16 108.20 3dhh n TYR 316 Ca 0.14 -0.46 0.01 0.00 1.88 0.00 0.00 57.90 59.48 3dhh n TYR 316 Cb 0.55 -0.35 0.11 0.00 -0.38 0.00 0.00 39.34 39.26 3dhh n TYR 316 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 3dhh h TRP 317 N 2.56 -0.01 -0.35 -3.48 -0.00 -1.76 -0.62 115.95 112.29 3dhh h TRP 317 Ca 0.00 0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.86 3dhh h TRP 317 Cb 1.41 0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 30.65 3dhh h TRP 317 CO 0.68 -0.15 -0.10 -0.44 -0.00 0.00 0.00 178.44 178.44 3dhh h ASP 318 N 0.13 0.58 -0.28 2.65 3.32 -1.88 -1.99 116.42 118.95 3dhh h ASP 318 Ca 0.33 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3dhh h ASP 318 Cb 0.53 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3dhh h ASP 318 CO -0.52 0.71 0.17 -0.07 -1.72 0.00 0.00 179.24 177.81 3dhh h LEU 319 N 0.55 0.27 -0.11 1.55 3.38 -1.64 -2.36 115.31 116.96 3dhh h LEU 319 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3dhh h LEU 319 Cb 0.50 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3dhh h LEU 319 CO 0.03 0.20 -0.11 0.15 0.09 0.00 0.00 178.44 178.80 3dhh h PHE 320 N 0.34 -0.28 -0.60 1.13 3.57 -0.78 -0.65 116.94 119.68 3dhh h PHE 320 Ca 0.11 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3dhh h PHE 320 Cb -0.01 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3dhh h PHE 320 CO -0.07 -0.17 0.35 -0.07 -2.23 0.00 0.00 178.31 176.12 3dhh h LEU 321 N -0.14 0.56 -0.65 0.59 3.38 -1.24 -0.96 115.31 116.85 3dhh h LEU 321 Ca 0.08 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3dhh h LEU 321 Cb 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3dhh h LEU 321 CO -0.19 0.39 0.41 0.50 0.09 0.00 0.00 178.44 179.64 3dhh h LYS 322 N 0.69 0.79 -0.74 1.13 3.64 -1.24 -2.85 116.57 117.98 3dhh h LYS 322 Ca 0.25 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 3dhh h LYS 322 Cb 0.06 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3dhh h LYS 322 CO -0.12 0.52 0.49 -0.44 -2.27 0.00 0.00 179.45 177.63 3dhh h ASP 323 N 0.81 0.74 -0.31 4.20 5.19 0.06 -2.03 116.42 125.09 3dhh h ASP 323 Ca 0.26 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 3dhh h ASP 323 Cb -0.01 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3dhh h ASP 323 CO -0.09 0.50 0.14 0.40 -3.12 0.00 0.00 179.24 177.06 3dhh h ILE 324 N 0.85 1.14 0.00 0.35 2.04 -0.98 0.23 117.51 121.14 3dhh h ILE 324 Ca 0.31 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3dhh h ILE 324 Cb 0.14 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3dhh h ILE 324 CO -0.10 0.17 0.00 0.44 0.00 0.00 0.00 178.15 178.66 3dhh h ASP 325 N 0.50 0.00 0.00 1.72 3.32 -1.36 -3.42 116.42 117.18 3dhh h ASP 325 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3dhh h ASP 325 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3dhh h ASP 325 CO -0.01 0.00 -0.62 -0.62 -1.72 0.00 0.00 179.24 176.27 3dhh n GLU 326 N -2.97 0.00 0.02 3.56 1.02 -0.59 -4.90 120.64 116.78 3dhh n GLU 326 Ca 0.03 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 3dhh n GLU 326 Cb 0.42 -0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 31.35 3dhh n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dhh h LEU 327 N 0.00 -0.04 -1.57 -4.62 5.85 -0.85 -2.98 115.31 111.10 3dhh h LEU 327 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3dhh h LEU 327 Cb 0.62 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3dhh h LEU 327 CO 0.00 -0.01 -0.13 1.12 -0.34 0.00 0.00 178.44 179.08 3dhh h HIS 328 N 0.01 0.00 -0.48 1.25 2.07 -1.80 -1.22 115.15 114.98 3dhh h HIS 328 Ca 0.03 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.48 3dhh h HIS 328 Cb 0.04 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.99 3dhh h HIS 328 CO -0.11 0.13 0.05 0.45 -3.07 0.00 0.00 177.93 175.38 3dhh h HIS 329 N 0.00 0.81 -0.04 6.12 3.86 -1.87 0.24 115.15 124.27 3dhh h HIS 329 Ca -0.00 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 3dhh h HIS 329 Cb 0.52 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 28.76 3dhh h HIS 329 CO 0.00 0.73 -0.44 0.77 0.86 0.00 0.00 177.93 179.85 3dhh h SER 330 N 0.73 0.46 -0.75 2.45 0.02 -1.43 -2.61 113.55 112.42 3dhh h SER 330 Ca 0.15 -0.70 0.06 0.00 -0.84 0.00 0.00 61.79 60.46 3dhh h SER 330 Cb 0.38 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3dhh h SER 330 CO 0.01 1.09 0.44 1.88 -1.14 0.00 0.00 176.83 179.12 3dhh h TYR 331 N -0.13 0.81 -0.38 3.45 0.05 -1.17 -1.34 116.97 118.27 3dhh h TYR 331 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3dhh h TYR 331 Cb 1.12 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 3dhh h TYR 331 CO 0.14 0.39 0.25 1.25 -1.05 0.00 0.00 178.16 179.14 3dhh h HIS 332 N 0.80 0.48 -0.47 4.88 -0.00 -0.96 -0.67 115.15 119.21 3dhh h HIS 332 Ca 0.34 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.77 3dhh h HIS 332 Cb 0.20 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.40 3dhh h HIS 332 CO -0.06 0.31 0.18 1.98 -0.00 0.00 0.00 177.93 180.34 3dhh h MET 333 N 0.51 0.36 -0.17 5.26 1.85 -1.05 0.53 114.93 122.23 3dhh h MET 333 Ca 0.14 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.19 3dhh h MET 333 Cb -0.05 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 3dhh h MET 333 CO -0.03 0.24 0.02 0.78 -0.40 0.00 0.00 176.91 177.52 3dhh h GLY 334 N 0.37 0.30 0.88 1.39 0.00 -1.08 0.22 103.07 105.15 3dhh h GLY 334 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3dhh h GLY 334 CO -0.20 0.19 0.46 -2.08 0.00 0.00 0.00 176.54 174.91 3dhh h VAL 335 N 0.06 1.11 -0.05 4.60 2.07 -0.89 -0.04 116.25 123.11 3dhh h VAL 335 Ca 0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3dhh h VAL 335 Cb 0.31 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3dhh h VAL 335 CO 0.00 0.16 -0.01 -0.25 0.02 0.00 0.00 177.57 177.50 3dhh h TRP 336 N 0.90 0.12 -0.52 1.57 7.01 -0.78 -1.99 115.95 122.25 3dhh h TRP 336 Ca 0.29 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.27 3dhh h TRP 336 Cb 0.01 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.01 3dhh h TRP 336 CO -0.04 0.44 0.33 -0.92 -2.79 0.00 0.00 178.44 175.46 3dhh h TYR 337 N -0.24 0.67 -0.61 2.65 3.20 -0.34 -1.79 116.97 120.51 3dhh h TYR 337 Ca 0.01 0.01 -0.35 0.00 3.14 0.00 0.00 58.73 61.54 3dhh h TYR 337 Cb 0.40 -0.22 -0.18 0.00 1.54 0.00 0.00 36.73 38.26 3dhh h TYR 337 CO 0.05 0.44 0.45 0.91 -1.64 0.00 0.00 178.16 178.37 3dhh n TRP 338 N -4.70 1.91 0.16 -3.82 8.01 -0.05 -4.29 117.44 114.65 3dhh n TRP 338 Ca 0.03 -1.63 0.18 0.00 -1.31 0.00 0.00 57.50 54.77 3dhh n TRP 338 Cb 0.03 -0.81 0.79 0.00 -2.01 0.00 0.00 31.31 29.31 3dhh n TRP 338 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3dhh h ARG 339 N 0.94 0.00 0.00 -0.99 0.11 -0.52 -1.13 114.38 112.79 3dhh h ARG 339 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 3dhh h ARG 339 Cb 1.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.81 3dhh h ARG 339 CO 0.78 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.85 3dhh h THR 340 N 0.00 0.00 -0.01 0.08 1.03 -1.82 -1.09 112.91 111.10 3dhh h THR 340 Ca 0.13 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 3dhh h THR 340 Cb 0.67 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 3dhh h THR 340 CO -0.00 0.00 -0.20 0.35 -0.01 0.00 0.00 175.52 175.66 3dhh n THR 341 N -3.02 0.00 -3.14 0.00 -2.24 -0.43 -3.47 114.28 101.98 3dhh n THR 341 Ca -0.01 -0.19 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 3dhh n THR 341 Cb 0.17 0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 3dhh n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dhh s ALA 342 N -2.34 3.56 -2.37 6.98 0.00 -0.43 -4.61 121.76 122.55 3dhh s ALA 342 Ca 0.28 -0.60 0.22 0.00 0.00 0.00 0.00 51.96 51.86 3dhh s ALA 342 Cb 0.20 -2.36 0.52 0.00 0.00 0.00 0.00 23.12 21.48 3dhh s ALA 342 CO 0.46 0.02 1.44 -2.67 0.00 0.00 0.00 175.76 175.02 3dhh n TRP 343 N -1.47 0.45 -4.58 0.00 2.14 -1.26 -0.95 117.44 111.76 3dhh n TRP 343 Ca -0.02 -0.23 -0.27 0.00 2.07 0.00 0.00 57.50 59.06 3dhh n TRP 343 Cb 0.55 0.00 -0.11 0.00 -0.81 0.00 0.00 31.31 30.94 3dhh n TRP 343 CO 0.00 0.00 0.00 1.67 2.07 0.00 0.00 177.69 181.43 3dhh s TRP 344 N -1.55 2.35 -0.60 -2.67 -2.14 -1.26 -4.74 118.94 108.32 3dhh s TRP 344 Ca 0.37 -0.76 -0.14 0.00 2.66 0.00 0.00 56.10 58.22 3dhh s TRP 344 Cb 0.21 -1.64 0.15 0.00 -3.10 0.00 0.00 33.47 29.09 3dhh s TRP 344 CO 0.29 0.32 0.54 -0.80 -2.66 0.00 0.00 176.95 174.65 3dhh s ASN 345 N -3.66 6.24 0.32 -2.66 0.01 -1.26 -4.13 114.94 109.80 3dhh s ASN 345 Ca 0.34 -2.04 -0.29 0.00 -0.71 0.00 0.00 52.86 50.16 3dhh s ASN 345 Cb 0.09 -2.18 -0.11 0.00 0.41 0.00 0.00 41.25 39.46 3dhh s ASN 345 CO 0.17 -0.76 1.56 -2.65 -1.51 0.00 0.00 177.10 173.91 3dhh n PRO 346 N 4.87 2.70 -3.39 -0.60 -0.02 -1.19 -4.00 135.00 133.37 3dhh n PRO 346 Ca -0.06 0.96 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 3dhh n PRO 346 Cb 0.42 -2.72 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 3dhh n PRO 346 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dhh s ALA 347 N -0.38 3.59 0.18 3.55 0.00 -1.26 -1.03 121.76 126.41 3dhh s ALA 347 Ca 0.60 -0.17 -0.09 0.00 0.00 0.00 0.00 51.96 52.30 3dhh s ALA 347 Cb -0.49 -2.53 0.07 0.00 0.00 0.00 0.00 23.12 20.17 3dhh s ALA 347 CO 0.54 0.26 1.62 0.00 0.00 0.00 0.00 175.76 178.17 3dhh h ALA 348 N 5.57 0.80 -3.03 0.00 0.00 -1.94 -3.41 119.26 117.25 3dhh h ALA 348 Ca -0.47 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 53.79 3dhh h ALA 348 Cb 1.20 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.82 3dhh h ALA 348 CO 0.68 0.67 -0.44 0.41 0.00 0.00 0.00 179.25 180.57 3dhh n GLY 349 N -0.31 -0.25 1.97 0.00 0.00 -1.26 -4.94 105.19 100.40 3dhh n GLY 349 Ca 0.02 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 3dhh n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dhh n VAL 350 N -4.14 1.96 -1.53 1.61 0.24 -1.26 -4.57 118.33 110.64 3dhh n VAL 350 Ca -0.12 -3.49 -0.34 0.00 -2.04 0.00 0.00 64.34 58.36 3dhh n VAL 350 Cb 0.61 -0.20 0.08 0.00 -1.47 0.00 0.00 33.84 32.85 3dhh n VAL 350 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dhh s THR 351 N -3.83 2.69 0.36 3.34 -4.23 -1.26 -4.71 115.64 107.99 3dhh s THR 351 Ca 0.41 0.32 0.13 0.00 -1.18 0.00 0.00 61.69 61.38 3dhh s THR 351 Cb 0.38 -2.85 0.35 0.00 1.34 0.00 0.00 72.50 71.72 3dhh s THR 351 CO -0.01 -0.19 1.78 -0.65 -0.54 0.00 0.00 174.62 175.00 3dhh h PRO 352 N -0.23 0.52 -0.32 3.99 0.11 -1.92 0.61 132.00 134.76 3dhh h PRO 352 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 3dhh h PRO 352 Cb 1.27 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3dhh h PRO 352 CO 0.51 0.35 -0.25 1.49 -0.21 0.00 0.00 178.00 179.89 3dhh h GLU 353 N 0.54 0.63 -0.24 1.05 4.81 -1.93 -1.37 114.58 118.07 3dhh h GLU 353 Ca 0.58 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 3dhh h GLU 353 Cb 1.23 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 3dhh h GLU 353 CO -0.34 0.82 -0.41 0.93 -0.73 0.00 0.00 179.01 179.29 3dhh h GLU 354 N 0.55 0.71 -0.61 1.92 5.08 -1.48 -2.78 114.58 117.97 3dhh h GLU 354 Ca 0.08 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3dhh h GLU 354 Cb 0.71 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 3dhh h GLU 354 CO 0.05 1.06 0.41 0.00 -1.00 0.00 0.00 179.01 179.53 3dhh h ARG 355 N 0.43 0.75 -0.53 2.33 3.08 -0.67 0.13 114.38 119.90 3dhh h ARG 355 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3dhh h ARG 355 Cb 1.01 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 3dhh h ARG 355 CO 0.09 0.50 0.23 -0.44 -1.07 0.00 0.00 179.97 179.28 3dhh h ASP 356 N 0.78 0.73 -0.02 7.04 3.32 -1.21 -0.76 116.42 126.29 3dhh h ASP 356 Ca 0.23 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3dhh h ASP 356 Cb -0.01 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3dhh h ASP 356 CO -0.06 0.68 0.01 -0.25 -1.72 0.00 0.00 179.24 177.91 3dhh h TRP 357 N 0.72 0.03 -0.82 4.55 7.01 -1.07 -1.24 115.95 125.13 3dhh h TRP 357 Ca 0.18 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.31 3dhh h TRP 357 Cb 0.18 -0.01 -0.09 0.00 -2.10 0.00 0.00 29.16 27.14 3dhh h TRP 357 CO 0.00 0.18 0.41 -0.07 -2.79 0.00 0.00 178.44 176.17 3dhh h LEU 358 N -0.12 0.50 -0.61 0.65 3.38 -0.69 0.69 115.31 119.11 3dhh h LEU 358 Ca 0.01 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3dhh h LEU 358 Cb 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3dhh h LEU 358 CO -0.00 0.22 0.19 -0.08 0.09 0.00 0.00 178.44 178.86 3dhh h GLU 359 N 0.61 0.95 -0.74 1.13 4.57 -0.98 0.13 114.58 120.25 3dhh h GLU 359 Ca 0.44 -0.21 -0.05 0.00 -1.18 0.00 0.00 59.36 58.36 3dhh h GLU 359 Cb 0.60 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 3dhh h GLU 359 CO -0.35 0.84 0.26 1.49 -1.18 0.00 0.00 179.01 180.07 3dhh h GLU 360 N 0.87 1.13 0.00 1.92 4.81 -0.26 -2.55 114.58 120.51 3dhh h GLU 360 Ca 0.20 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3dhh h GLU 360 Cb 0.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3dhh h GLU 360 CO -0.01 0.95 -0.56 0.87 -0.73 0.00 0.00 179.01 179.54 3dhh h LYS 361 N 1.08 0.00 -2.09 1.92 1.79 -0.62 -3.39 116.57 115.26 3dhh h LYS 361 Ca 0.24 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.19 3dhh h LYS 361 Cb 0.27 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 30.57 3dhh h LYS 361 CO -0.01 0.41 -0.93 0.66 -1.08 0.00 0.00 179.45 178.50 3dhh n TYR 362 N -3.16 -1.27 -1.68 -1.35 4.01 0.44 -5.03 117.16 109.12 3dhh n TYR 362 Ca 0.01 -3.07 -0.45 0.00 -0.16 0.00 0.00 57.90 54.23 3dhh n TYR 362 Cb 0.72 0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 40.07 3dhh n TYR 362 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3dhh n PRO 363 N 2.61 2.22 0.00 -0.72 -0.02 -0.96 -1.56 135.00 136.57 3dhh n PRO 363 Ca 0.27 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 3dhh n PRO 363 Cb 0.50 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3dhh n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhh n GLY 364 N 2.77 0.34 0.17 -1.23 0.00 -1.26 -5.00 105.19 100.98 3dhh n GLY 364 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3dhh n GLY 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3dhh h TRP 365 N 0.00 -0.19 0.00 1.61 7.01 -1.59 -2.55 115.95 120.24 3dhh h TRP 365 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 3dhh h TRP 365 Cb 0.00 0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3dhh h TRP 365 CO 0.00 -0.16 -0.13 -0.91 -2.79 0.00 0.00 178.44 174.45 3dhh h ASN 366 N 0.01 0.00 0.75 2.65 2.35 -1.91 -1.62 115.58 117.81 3dhh h ASN 366 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dhh h ASN 366 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3dhh h ASN 366 CO -0.41 0.13 -0.05 0.29 -1.65 0.00 0.00 177.43 175.74 3dhh n LYS 367 N -4.37 0.22 0.00 0.81 5.02 -0.98 -2.65 118.16 116.22 3dhh n LYS 367 Ca -0.03 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3dhh n LYS 367 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3dhh n LYS 367 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3dhh n ARG 368 N -1.37 0.00 0.04 1.97 1.74 -0.68 -0.71 116.66 117.65 3dhh n ARG 368 Ca 0.10 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 3dhh n ARG 368 Cb 0.30 0.00 0.51 0.00 -1.02 0.00 0.00 32.46 32.25 3dhh n ARG 368 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3dhh h TRP 369 N 0.00 0.35 -0.50 -1.55 6.55 -1.65 -1.82 115.95 117.32 3dhh h TRP 369 Ca 0.00 0.01 0.10 0.00 0.95 0.00 0.00 58.89 59.95 3dhh h TRP 369 Cb 0.00 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.16 3dhh h TRP 369 CO 0.00 0.20 0.34 0.78 -1.05 0.00 0.00 178.44 178.71 3dhh h GLY 370 N 0.36 0.34 1.01 1.49 0.00 -1.38 -0.63 103.07 104.25 3dhh h GLY 370 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3dhh h GLY 370 CO -0.03 0.06 0.52 3.21 0.00 0.00 0.00 176.54 180.29 3dhh h ARG 371 N 0.24 1.06 -0.23 4.80 2.47 -1.09 0.11 114.38 121.74 3dhh h ARG 371 Ca 0.23 -0.07 -0.18 0.00 -1.26 0.00 0.00 59.98 58.71 3dhh h ARG 371 Cb 0.60 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3dhh h ARG 371 CO -0.05 0.71 -0.54 0.00 0.56 0.00 0.00 179.97 180.66 3dhh h TRP 373 N 0.52 0.00 -0.42 0.00 4.06 -1.05 -1.83 115.95 117.22 3dhh h TRP 373 Ca -0.00 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 3dhh h TRP 373 Cb 1.15 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 3dhh h TRP 373 CO 0.08 0.16 0.03 -0.44 -3.56 0.00 0.00 178.44 174.71 3dhh h ASP 374 N 0.00 0.70 -0.01 -3.49 3.32 -0.66 0.25 116.42 116.53 3dhh h ASP 374 Ca -0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 3dhh h ASP 374 Cb 0.41 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3dhh h ASP 374 CO 0.02 0.82 -0.00 0.58 -1.72 0.00 0.00 179.24 178.94 3dhh h VAL 375 N 0.56 1.27 -0.33 -1.35 2.07 -1.44 -1.65 116.25 115.39 3dhh h VAL 375 Ca 0.12 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3dhh h VAL 375 Cb 0.44 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 3dhh h VAL 375 CO 0.02 0.21 0.08 0.40 0.02 0.00 0.00 177.57 178.29 3dhh h ILE 376 N -0.32 0.85 -0.49 4.57 2.04 -1.30 -1.75 117.51 121.12 3dhh h ILE 376 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3dhh h ILE 376 Cb 0.35 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3dhh h ILE 376 CO 0.00 0.04 0.31 0.74 0.00 0.00 0.00 178.15 179.24 3dhh h THR 377 N 0.20 1.14 -0.34 -0.27 2.02 -0.42 -1.00 112.91 114.24 3dhh h THR 377 Ca 0.15 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.11 3dhh h THR 377 Cb 0.16 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3dhh h THR 377 CO -0.19 0.14 -0.09 -0.33 0.37 0.00 0.00 175.52 175.42 3dhh h GLU 378 N 0.66 -0.01 -0.62 6.66 5.08 -1.12 -0.76 114.58 124.48 3dhh h GLU 378 Ca 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dhh h GLU 378 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3dhh h GLU 378 CO -0.04 -0.00 0.41 -0.91 -1.00 0.00 0.00 179.01 177.47 3dhh h ASN 379 N -0.01 0.71 -0.16 1.42 -0.26 -0.88 -1.24 115.58 115.17 3dhh h ASN 379 Ca 0.16 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 3dhh h ASN 379 Cb 0.25 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3dhh h ASN 379 CO -0.35 0.51 0.07 0.58 -1.06 0.00 0.00 177.43 177.18 3dhh h VAL 380 N 0.84 1.15 -0.71 2.81 2.07 -0.82 0.59 116.25 122.18 3dhh h VAL 380 Ca 0.23 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.37 3dhh h VAL 380 Cb -0.09 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3dhh h VAL 380 CO -0.05 0.14 0.47 -0.07 0.02 0.00 0.00 177.57 178.08 3dhh h LEU 381 N 0.11 0.63 -1.92 2.57 3.38 -0.96 -1.56 115.31 117.56 3dhh h LEU 381 Ca 0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dhh h LEU 381 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dhh h LEU 381 CO -0.01 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.52 3dhh n ASN 382 N -4.48 2.80 -2.79 -0.43 5.03 -0.48 -4.94 115.26 109.97 3dhh n ASN 382 Ca 0.11 -2.00 -0.20 0.00 0.87 0.00 0.00 54.58 53.36 3dhh n ASN 382 Cb 0.25 -0.35 0.01 0.00 -1.02 0.00 0.00 39.78 38.67 3dhh n ASN 382 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3dhh n ASP 383 N 1.03 -5.11 -4.09 6.41 2.03 -0.47 -4.89 116.55 111.45 3dhh n ASP 383 Ca 0.17 -0.12 -0.43 0.00 0.52 0.00 0.00 54.79 54.93 3dhh n ASP 383 Cb 0.44 -4.22 0.00 0.00 -0.72 0.00 0.00 41.12 36.63 3dhh n ASP 383 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dhh n ARG 384 N -3.43 3.52 0.17 -0.67 1.74 0.08 -4.81 116.66 113.26 3dhh n ARG 384 Ca -0.14 -3.63 0.05 0.00 -0.77 0.00 0.00 57.85 53.36 3dhh n ARG 384 Cb 0.62 -2.98 0.18 0.00 -1.02 0.00 0.00 32.46 29.27 3dhh n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3dhh h MET 385 N 6.27 0.00 -0.26 5.56 2.86 -1.90 -2.76 114.93 124.69 3dhh h MET 385 Ca 0.37 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.09 3dhh h MET 385 Cb 0.72 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3dhh h MET 385 CO 1.49 0.40 0.20 0.38 1.06 0.00 0.00 176.91 180.44 3dhh h ASP 386 N 0.00 0.00 0.18 1.22 -0.00 -1.93 -2.11 116.42 113.78 3dhh h ASP 386 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3dhh h ASP 386 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.47 3dhh h ASP 386 CO 0.05 0.00 -0.05 0.18 -0.00 0.00 0.00 179.24 179.42 3dhh n LEU 387 N -4.36 0.54 -0.52 0.15 4.77 -1.04 -3.36 117.00 113.18 3dhh n LEU 387 Ca 0.03 -0.09 0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3dhh n LEU 387 Cb 0.35 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.49 3dhh n LEU 387 CO 0.34 0.09 0.62 1.33 -1.33 0.00 0.00 177.39 178.44 3dhh n VAL 388 N -0.74 1.35 -4.52 4.08 0.24 -0.80 -4.96 118.33 112.98 3dhh n VAL 388 Ca 0.18 -1.29 -0.23 0.00 -2.04 0.00 0.00 64.34 60.96 3dhh n VAL 388 Cb 0.24 0.28 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 3dhh n VAL 388 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3dhh s SER 389 N -1.35 2.05 0.42 -1.34 0.01 -1.21 -4.89 113.70 107.38 3dhh s SER 389 Ca 0.23 -0.47 -0.11 0.00 1.31 0.00 0.00 55.95 56.91 3dhh s SER 389 Cb 0.16 -0.16 -0.07 0.00 0.21 0.00 0.00 66.02 66.16 3dhh s SER 389 CO 0.10 0.11 0.81 -2.16 0.41 0.00 0.00 173.24 172.50 3dhh s PRO 390 N -1.07 3.80 -0.03 12.44 0.04 -1.26 -4.97 135.00 143.95 3dhh s PRO 390 Ca 0.05 0.55 0.05 0.00 0.04 0.00 0.00 61.00 61.68 3dhh s PRO 390 Cb -0.08 -2.35 0.08 0.00 0.04 0.00 0.00 34.50 32.19 3dhh s PRO 390 CO 0.01 -0.08 0.94 0.39 0.04 0.00 0.00 177.00 178.31 3dhh n GLU 391 N -1.36 1.61 -4.09 4.56 1.02 -1.26 -5.04 120.64 116.08 3dhh n GLU 391 Ca 0.03 -1.53 -0.14 0.00 -0.02 0.00 0.00 57.16 55.50 3dhh n GLU 391 Cb 0.54 -0.97 -0.05 0.00 -0.02 0.00 0.00 31.44 30.94 3dhh n GLU 391 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3dhh s THR 392 N -1.18 0.00 0.25 2.62 -1.32 -1.26 -5.04 115.64 109.72 3dhh s THR 392 Ca 0.08 -1.61 -0.12 0.00 -1.21 0.00 0.00 61.69 58.84 3dhh s THR 392 Cb 0.07 -2.59 -0.08 0.00 -1.51 0.00 0.00 72.50 68.40 3dhh s THR 392 CO 0.01 0.00 0.61 -0.76 -2.21 0.00 0.00 174.62 172.27 3dhh s LEU 393 N -3.21 4.15 0.65 9.08 1.02 -1.26 -5.08 118.68 124.02 3dhh s LEU 393 Ca 0.30 1.06 -0.14 0.00 0.02 0.00 0.00 54.13 55.37 3dhh s LEU 393 Cb 0.00 -3.78 -0.01 0.00 0.02 0.00 0.00 46.19 42.42 3dhh s LEU 393 CO 0.19 -0.10 1.07 -2.16 0.02 0.00 0.00 176.35 175.37 3dhh s PRO 394 N -2.79 3.01 0.31 1.29 0.04 -1.26 -5.02 135.00 130.58 3dhh s PRO 394 Ca 0.49 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 3dhh s PRO 394 Cb -0.11 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3dhh s PRO 394 CO 0.20 -1.06 1.01 -1.12 0.04 0.00 0.00 177.00 176.07 3dhh s SER 395 N -2.96 7.27 -0.00 6.66 0.01 -1.26 -4.93 113.70 118.49 3dhh s SER 395 Ca 0.63 2.04 0.07 0.00 1.31 0.00 0.00 55.95 60.00 3dhh s SER 395 Cb -0.17 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.44 3dhh s SER 395 CO 0.43 -0.12 -0.22 -0.69 0.41 0.00 0.00 173.24 173.05 3dhh s VAL 396 N -1.38 1.75 0.20 3.43 1.01 -1.26 -0.94 120.40 123.20 3dhh s VAL 396 Ca 0.48 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 3dhh s VAL 396 Cb -0.25 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.57 3dhh s VAL 396 CO 0.32 0.44 1.41 0.00 0.00 0.00 0.00 175.10 177.26 3dhh n ASN 398 N 2.97 0.00 -0.01 0.00 3.02 0.38 -1.91 115.26 119.71 3dhh n ASN 398 Ca 0.08 -0.24 -0.01 0.00 -0.03 0.00 0.00 54.58 54.39 3dhh n ASN 398 Cb 0.41 -0.21 -0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3dhh n ASN 398 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3dhh n MET 399 N -1.21 0.04 0.28 3.52 1.56 -1.26 -4.77 117.12 115.28 3dhh n MET 399 Ca 0.13 0.04 0.17 0.00 -0.27 0.00 0.00 57.70 57.77 3dhh n MET 399 Cb 0.16 -0.59 0.68 0.00 2.15 0.00 0.00 33.22 35.62 3dhh n MET 399 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3dhh h SER 400 N -0.07 0.00 -0.75 6.12 4.64 -1.96 -3.46 113.55 118.07 3dhh h SER 400 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3dhh h SER 400 Cb 0.06 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.04 3dhh h SER 400 CO 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 3dhh n GLN 401 N -3.09 -1.04 -4.43 4.77 1.13 -0.80 -4.62 117.38 109.30 3dhh n GLN 401 Ca 0.01 1.01 -0.30 0.00 -1.94 0.00 0.00 57.00 55.78 3dhh n GLN 401 Cb 0.31 -5.15 -0.12 0.00 0.11 0.00 0.00 30.24 25.39 3dhh n GLN 401 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3dhh s ILE 402 N -2.56 2.94 0.72 5.09 1.01 -1.26 -4.68 121.20 122.47 3dhh s ILE 402 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 60.65 59.17 3dhh s ILE 402 Cb 0.00 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3dhh s ILE 402 CO 0.00 0.20 0.97 -2.65 0.00 0.00 0.00 174.94 173.46 3dhh n PRO 403 N 1.09 0.52 -2.45 2.79 -0.02 -1.26 -0.73 135.00 134.94 3dhh n PRO 403 Ca -0.15 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3dhh n PRO 403 Cb 0.52 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3dhh n PRO 403 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dhh s LEU 404 N -3.11 3.76 0.35 2.45 1.43 -0.11 -4.71 118.68 118.74 3dhh s LEU 404 Ca 0.73 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.83 3dhh s LEU 404 Cb -0.35 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.27 3dhh s LEU 404 CO 0.50 -1.19 0.05 0.68 0.23 0.00 0.00 176.35 176.62 3dhh s VAL 405 N 4.62 1.39 0.00 -1.59 -7.23 -1.26 -4.87 120.40 111.46 3dhh s VAL 405 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3dhh s VAL 405 Cb -0.14 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3dhh s VAL 405 CO 0.27 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 3dhh n GLY 406 N -0.78 3.86 3.65 2.32 0.00 -1.26 -4.57 105.19 108.41 3dhh n GLY 406 Ca -0.03 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 3dhh n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhh s VAL 407 N -2.22 5.29 0.39 1.61 1.01 0.33 -4.81 120.40 122.00 3dhh s VAL 407 Ca 0.00 0.39 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 3dhh s VAL 407 Cb 0.00 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.86 3dhh s VAL 407 CO 0.00 0.29 0.54 -0.81 0.00 0.00 0.00 175.10 175.12 3dhh n PRO 408 N 4.52 0.21 0.00 2.72 -0.04 -1.26 -1.26 135.00 139.88 3dhh n PRO 408 Ca -0.12 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 3dhh n PRO 408 Cb 0.52 -0.36 0.00 0.00 -0.04 0.00 0.00 33.50 33.61 3dhh n PRO 408 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dhh n GLY 409 N 0.86 0.50 0.34 0.55 0.00 -1.25 -4.23 105.19 101.97 3dhh n GLY 409 Ca 0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 46.02 45.20 3dhh n GLY 409 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhh h ASP 410 N 8.89 0.91 -1.76 1.61 5.19 -1.19 -2.42 116.42 127.65 3dhh h ASP 410 Ca 0.00 -0.06 -0.63 0.00 -0.62 0.00 0.00 57.03 55.72 3dhh h ASP 410 Cb 0.00 -0.23 -0.39 0.00 0.18 0.00 0.00 39.33 38.89 3dhh h ASP 410 CO 0.00 0.71 -0.31 -0.90 -3.12 0.00 0.00 179.24 175.62 3dhh n ASP 411 N -4.38 5.32 -4.46 6.45 5.75 -1.26 -5.06 116.55 118.90 3dhh n ASP 411 Ca 0.08 -3.74 -0.63 0.00 -0.01 0.00 0.00 54.79 50.49 3dhh n ASP 411 Cb 0.08 -0.62 -0.09 0.00 -1.03 0.00 0.00 41.12 39.46 3dhh n ASP 411 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3dhh n TRP 412 N -0.44 1.45 -3.70 2.11 -0.00 -0.91 -4.87 117.44 111.07 3dhh n TRP 412 Ca 0.41 1.07 -0.11 0.00 -0.00 0.00 0.00 57.50 58.88 3dhh n TRP 412 Cb 0.52 -2.09 -0.11 0.00 -0.00 0.00 0.00 31.31 29.63 3dhh n TRP 412 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3dhh s ASN 413 N 2.25 -0.50 -0.05 5.87 4.22 -0.39 -5.01 114.94 121.34 3dhh s ASN 413 Ca 0.97 0.87 -0.04 0.00 -2.14 0.00 0.00 52.86 52.52 3dhh s ASN 413 Cb -1.38 0.76 0.01 0.00 1.28 0.00 0.00 41.25 41.93 3dhh s ASN 413 CO 0.73 -0.19 0.13 -0.51 -2.04 0.00 0.00 177.10 175.22 3dhh s ILE 414 N 1.32 0.00 -0.03 0.54 2.07 -1.26 -0.51 121.20 123.34 3dhh s ILE 414 Ca -0.09 -0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3dhh s ILE 414 Cb -0.08 -0.19 0.03 0.00 0.13 0.00 0.00 42.46 42.35 3dhh s ILE 414 CO -0.12 -0.01 0.03 -0.70 -1.91 0.00 0.00 174.94 172.23 3dhh s GLU 415 N 0.02 0.01 -0.14 3.50 2.12 -1.26 -5.05 118.70 117.89 3dhh s GLU 415 Ca -0.00 0.21 -0.06 0.00 0.36 0.00 0.00 54.97 55.47 3dhh s GLU 415 Cb -0.01 -0.34 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 3dhh s GLU 415 CO 0.00 -0.20 0.07 0.08 -0.54 0.00 0.00 175.26 174.68 3dhh s VAL 416 N 1.28 4.91 -0.39 3.70 1.01 -1.26 -4.70 120.40 124.96 3dhh s VAL 416 Ca -0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 3dhh s VAL 416 Cb -0.13 -3.16 0.07 0.00 0.00 0.00 0.00 36.38 33.16 3dhh s VAL 416 CO -0.03 0.54 0.18 -0.36 0.00 0.00 0.00 175.10 175.44 3dhh s PHE 417 N -0.33 3.36 0.28 5.22 0.08 -0.24 -4.94 117.98 121.41 3dhh s PHE 417 Ca 0.09 -1.71 0.06 0.00 0.12 0.00 0.00 56.93 55.49 3dhh s PHE 417 Cb -0.12 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.55 3dhh s PHE 417 CO 0.02 -0.84 0.39 -1.12 -0.10 0.00 0.00 175.22 173.57 3dhh s SER 418 N 1.80 6.08 -0.16 1.36 0.01 -1.26 -0.55 113.70 120.98 3dhh s SER 418 Ca 0.02 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.11 3dhh s SER 418 Cb -0.22 -1.53 0.06 0.00 0.21 0.00 0.00 66.02 64.54 3dhh s SER 418 CO 0.01 -0.23 0.38 -0.22 0.41 0.00 0.00 173.24 173.58 3dhh s LEU 419 N -4.05 -0.04 -0.03 2.44 2.96 -0.25 -4.98 118.68 114.74 3dhh s LEU 419 Ca 0.39 0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 54.94 3dhh s LEU 419 Cb -0.09 1.22 -0.05 0.00 0.50 0.00 0.00 46.19 47.77 3dhh s LEU 419 CO 0.29 -0.19 0.50 -1.61 -1.32 0.00 0.00 176.35 174.02 3dhh s GLU 420 N 1.48 4.19 -0.20 1.98 2.02 -1.26 -0.55 118.70 126.35 3dhh s GLU 420 Ca -0.09 0.55 -0.08 0.00 0.02 0.00 0.00 54.97 55.37 3dhh s GLU 420 Cb -0.09 -3.32 0.09 0.00 0.10 0.00 0.00 34.13 30.91 3dhh s GLU 420 CO -0.12 0.44 0.45 -1.58 0.02 0.00 0.00 175.26 174.47 3dhh s HIS 421 N -0.35 -0.81 -1.44 1.61 2.46 -0.38 -4.93 115.29 111.44 3dhh s HIS 421 Ca 0.27 1.57 -0.00 0.00 0.47 0.00 0.00 55.06 57.37 3dhh s HIS 421 Cb -0.17 0.36 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 3dhh s HIS 421 CO 0.14 -0.47 0.34 0.09 -2.47 0.00 0.00 174.74 172.37 3dhh n ASN 422 N 5.08 -0.09 -1.40 9.88 3.02 -1.26 -1.97 115.26 128.52 3dhh n ASN 422 Ca -0.13 -1.07 -0.14 0.00 -0.03 0.00 0.00 54.58 53.22 3dhh n ASN 422 Cb 0.51 -2.74 -0.02 0.00 -0.61 0.00 0.00 39.78 36.92 3dhh n ASN 422 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dhh n GLY 423 N -2.10 0.33 3.01 7.41 0.00 -1.26 -5.01 105.19 107.57 3dhh n GLY 423 Ca -0.31 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 3dhh n GLY 423 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhh s ARG 424 N -4.19 0.57 -0.26 1.61 3.52 -0.83 -5.13 118.95 114.22 3dhh s ARG 424 Ca 0.00 -0.36 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 3dhh s ARG 424 Cb 0.00 -0.52 -0.05 0.00 -1.56 0.00 0.00 34.95 32.83 3dhh s ARG 424 CO 0.00 0.13 0.25 -1.17 -0.81 0.00 0.00 175.30 173.71 3dhh s LEU 425 N -0.46 4.06 0.16 -0.88 2.96 -1.26 -1.25 118.68 121.99 3dhh s LEU 425 Ca 0.00 0.14 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 3dhh s LEU 425 Cb -0.04 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3dhh s LEU 425 CO -0.00 -0.07 0.02 -0.31 -1.32 0.00 0.00 176.35 174.67 3dhh s TYR 426 N 1.67 2.91 -0.02 5.38 2.02 0.28 -4.98 117.35 124.62 3dhh s TYR 426 Ca 0.10 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 3dhh s TYR 426 Cb -0.15 -1.42 -0.00 0.00 -0.40 0.00 0.00 41.96 39.98 3dhh s TYR 426 CO 0.09 0.51 -0.12 -1.01 -1.57 0.00 0.00 175.55 173.45 3dhh s HIS 427 N -1.66 1.20 0.12 2.71 3.76 -1.26 -1.08 115.29 119.07 3dhh s HIS 427 Ca 0.28 -0.29 0.08 0.00 -0.15 0.00 0.00 55.06 54.97 3dhh s HIS 427 Cb -0.10 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 3dhh s HIS 427 CO 0.19 -0.09 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.75 3dhh s PHE 428 N -0.02 1.67 -1.88 1.40 0.08 0.29 -0.47 117.98 119.04 3dhh s PHE 428 Ca -0.00 -0.45 0.30 0.00 0.12 0.00 0.00 56.93 56.89 3dhh s PHE 428 Cb -0.08 -0.89 1.44 0.00 -0.57 0.00 0.00 43.02 42.92 3dhh s PHE 428 CO 0.00 0.21 1.98 0.41 -0.10 0.00 0.00 175.22 177.72 3dhh n GLY 429 N 0.84 -0.84 3.54 4.36 0.00 -1.26 -1.08 105.19 110.75 3dhh n GLY 429 Ca -0.18 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3dhh n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhh s SER 430 N -2.25 -0.43 0.39 1.61 1.04 -1.26 -4.89 113.70 107.90 3dhh s SER 430 Ca 0.36 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.73 3dhh s SER 430 Cb 0.21 0.55 0.80 0.00 0.10 0.00 0.00 66.02 67.68 3dhh s SER 430 CO 0.42 -0.93 2.01 -0.33 0.98 0.00 0.00 173.24 175.39 3dhh h GLU 431 N 2.00 0.64 -0.18 4.02 4.39 -1.95 -2.70 114.58 120.81 3dhh h GLU 431 Ca -0.28 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.20 3dhh h GLU 431 Cb 1.28 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3dhh h GLU 431 CO 0.33 0.42 -0.60 0.28 -1.16 0.00 0.00 179.01 178.28 3dhh h VAL 432 N 0.66 1.31 -0.74 3.13 2.07 -1.98 -0.74 116.25 119.96 3dhh h VAL 432 Ca 0.23 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 3dhh h VAL 432 Cb 0.11 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 3dhh h VAL 432 CO -0.06 0.57 0.35 0.44 0.02 0.00 0.00 177.57 178.89 3dhh h ASP 433 N 0.43 0.96 -0.27 0.57 3.32 -1.91 0.12 116.42 119.65 3dhh h ASP 433 Ca -0.02 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 56.91 3dhh h ASP 433 Cb 1.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3dhh h ASP 433 CO 0.13 0.83 0.13 -0.09 -1.72 0.00 0.00 179.24 178.52 3dhh h ARG 434 N 1.03 0.28 -0.58 3.56 2.43 -1.41 -2.41 114.38 117.28 3dhh h ARG 434 Ca 0.25 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 3dhh h ARG 434 Cb 0.12 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 3dhh h ARG 434 CO -0.03 0.18 0.28 2.35 -1.51 0.00 0.00 179.97 181.24 3dhh h TRP 435 N 0.28 0.50 -0.65 2.20 7.01 -0.53 -1.44 115.95 123.33 3dhh h TRP 435 Ca 0.11 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.21 3dhh h TRP 435 Cb 0.04 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 26.89 3dhh h TRP 435 CO -0.10 0.21 0.33 0.28 -2.79 0.00 0.00 178.44 176.37 3dhh h VAL 436 N 0.52 0.90 -0.21 2.65 2.07 -0.54 -0.77 116.25 120.87 3dhh h VAL 436 Ca 0.27 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.60 3dhh h VAL 436 Cb 0.23 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3dhh h VAL 436 CO -0.21 0.11 0.11 0.15 0.02 0.00 0.00 177.57 177.75 3dhh h PHE 437 N 0.59 0.20 0.00 1.57 3.57 -0.93 -2.45 116.94 119.50 3dhh h PHE 437 Ca 0.31 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3dhh h PHE 437 Cb 0.27 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3dhh h PHE 437 CO -0.10 0.12 0.00 1.96 -2.23 0.00 0.00 178.31 178.05 3dhh h GLN 438 N 0.23 0.00 -0.18 1.11 4.20 -0.52 -2.11 115.11 117.83 3dhh h GLN 438 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3dhh h GLN 438 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3dhh h GLN 438 CO -0.05 0.00 -0.27 1.96 -0.67 0.00 0.00 178.83 179.80 3dhh h GLN 439 N 0.00 0.35 -0.75 1.46 1.08 -0.66 -3.39 115.11 113.20 3dhh h GLN 439 Ca 0.00 -0.13 -0.34 0.00 -1.45 0.00 0.00 58.65 56.73 3dhh h GLN 439 Cb 0.35 -0.02 -0.24 0.00 -0.05 0.00 0.00 27.48 27.53 3dhh h GLN 439 CO 0.00 0.60 -0.72 -3.47 -0.95 0.00 0.00 178.83 174.29 3dhh n ASP 440 N -4.12 -1.55 0.27 1.46 2.03 -0.84 -5.01 116.55 108.78 3dhh n ASP 440 Ca -0.01 -3.20 0.11 0.00 0.52 0.00 0.00 54.79 52.21 3dhh n ASP 440 Cb 0.40 0.93 0.74 0.00 -0.72 0.00 0.00 41.12 42.47 3dhh n ASP 440 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dhh h PRO 441 N 3.67 0.00 0.00 -0.67 0.11 -1.66 -0.98 132.00 132.46 3dhh h PRO 441 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3dhh h PRO 441 Cb 1.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3dhh h PRO 441 CO 0.34 0.06 -0.12 0.28 -0.21 0.00 0.00 178.00 178.36 3dhh h VAL 442 N 0.00 0.45 -0.14 3.15 2.07 -1.95 0.17 116.25 120.01 3dhh h VAL 442 Ca -0.00 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3dhh h VAL 442 Cb 0.14 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3dhh h VAL 442 CO 0.01 0.12 -0.24 -0.61 0.02 0.00 0.00 177.57 176.86 3dhh h GLN 443 N 0.00 0.25 0.00 1.57 5.75 -1.56 -3.39 115.11 117.73 3dhh h GLN 443 Ca -0.00 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3dhh h GLN 443 Cb 0.41 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.94 3dhh h GLN 443 CO 0.02 0.48 -0.92 0.66 -2.65 0.00 0.00 178.83 176.42 3dhh n TYR 444 N -4.17 0.00 -0.33 3.99 4.02 -0.75 -4.88 117.16 115.04 3dhh n TYR 444 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.92 3dhh n TYR 444 Cb 0.36 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.86 3dhh n TYR 444 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3dhh h GLN 445 N 0.00 0.94 -0.56 -0.72 3.07 -0.88 -1.05 115.11 115.90 3dhh h GLN 445 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3dhh h GLN 445 Cb 0.38 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.73 3dhh h GLN 445 CO 0.00 0.62 0.00 0.09 0.09 0.00 0.00 178.83 179.63 3dhh n ASN 446 N -4.63 3.09 -4.76 0.06 3.02 -1.26 -4.90 115.26 105.88 3dhh n ASN 446 Ca 0.15 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 3dhh n ASN 446 Cb 0.26 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.02 3dhh n ASN 446 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dhh s HIS 447 N -1.26 3.42 -0.19 3.10 2.46 -0.40 -5.04 115.29 117.38 3dhh s HIS 447 Ca 0.39 1.58 -0.02 0.00 0.47 0.00 0.00 55.06 57.48 3dhh s HIS 447 Cb 0.20 -3.41 -0.00 0.00 -0.13 0.00 0.00 32.58 29.24 3dhh s HIS 447 CO 0.27 -1.00 -0.09 -1.64 -2.47 0.00 0.00 174.74 169.81 3dhh s MET 448 N -1.36 3.29 0.98 2.88 -1.94 -1.26 -5.10 119.30 116.79 3dhh s MET 448 Ca 0.47 -0.68 -0.14 0.00 -1.71 0.00 0.00 55.69 53.62 3dhh s MET 448 Cb -0.34 -2.84 0.18 0.00 2.01 0.00 0.00 34.83 33.84 3dhh s MET 448 CO 0.44 -0.12 1.17 0.54 -0.01 0.00 0.00 175.02 177.03 3dhh s ASN 449 N 1.22 2.92 0.37 3.03 2.20 -1.26 -4.74 114.94 118.68 3dhh s ASN 449 Ca 0.02 0.76 0.06 0.00 -0.94 0.00 0.00 52.86 52.76 3dhh s ASN 449 Cb -0.14 -1.16 0.76 0.00 -2.00 0.00 0.00 41.25 38.70 3dhh s ASN 449 CO -0.04 -2.90 1.99 -0.29 -2.94 0.00 0.00 177.10 172.93 3dhh h ILE 450 N -1.74 1.06 -0.09 0.54 2.10 -1.96 -0.26 117.51 117.16 3dhh h ILE 450 Ca -0.48 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.19 3dhh h ILE 450 Cb 1.30 0.28 -0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3dhh h ILE 450 CO 0.52 0.13 -0.04 0.58 -1.08 0.00 0.00 178.15 178.26 3dhh h VAL 451 N 0.72 1.31 -0.72 2.19 2.07 -1.92 -0.01 116.25 119.90 3dhh h VAL 451 Ca 0.26 -1.03 0.14 0.00 0.82 0.00 0.00 66.70 66.89 3dhh h VAL 451 Cb 0.13 1.81 -0.09 0.00 -1.52 0.00 0.00 31.29 31.62 3dhh h VAL 451 CO -0.07 0.29 0.26 0.44 0.02 0.00 0.00 177.57 178.50 3dhh h ASP 452 N -0.17 0.21 -0.54 0.57 3.32 -1.77 0.11 116.42 118.14 3dhh h ASP 452 Ca 0.02 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3dhh h ASP 452 Cb 0.47 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3dhh h ASP 452 CO 0.01 0.08 -0.05 0.03 -1.72 0.00 0.00 179.24 177.59 3dhh h ARG 453 N 0.40 0.98 -0.19 3.56 3.08 -0.87 -1.52 114.38 119.81 3dhh h ARG 453 Ca 0.39 -0.34 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3dhh h ARG 453 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3dhh h ARG 453 CO -0.41 1.01 0.07 0.35 -1.07 0.00 0.00 179.97 179.92 3dhh h PHE 454 N 0.86 0.12 0.00 3.04 3.57 -0.21 -1.40 116.94 122.91 3dhh h PHE 454 Ca 0.15 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dhh h PHE 454 Cb 0.60 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 3dhh h PHE 454 CO 0.04 0.06 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.01 3dhh h LEU 455 N 0.16 0.00 -0.83 0.59 3.38 -0.94 -2.90 115.31 114.77 3dhh h LEU 455 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dhh h LEU 455 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3dhh h LEU 455 CO -0.09 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3dhh n ALA 456 N -2.20 2.58 -0.69 1.53 0.00 -0.58 -4.92 120.51 116.22 3dhh n ALA 456 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3dhh n ALA 456 Cb 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3dhh n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhh n GLY 457 N 1.12 0.70 0.20 0.00 0.00 -1.09 -4.94 105.19 101.18 3dhh n GLY 457 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3dhh n GLY 457 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dhh h GLN 458 N 2.32 0.00 -4.60 1.61 4.20 -1.49 -3.41 115.11 113.74 3dhh h GLN 458 Ca 0.00 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.01 3dhh h GLN 458 Cb 0.00 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.50 3dhh h GLN 458 CO 0.00 0.00 -0.56 0.42 -0.67 0.00 0.00 178.83 178.02 3dhh s ILE 459 N -3.29 3.98 -0.05 2.54 1.01 -1.25 -5.00 121.20 119.14 3dhh s ILE 459 Ca 0.06 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.56 3dhh s ILE 459 Cb 0.08 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 3dhh s ILE 459 CO 0.61 -0.29 -0.19 -1.10 0.00 0.00 0.00 174.94 173.98 3dhh s GLN 460 N 1.42 2.00 0.79 2.79 -1.52 -1.26 -3.35 119.66 120.53 3dhh s GLN 460 Ca 0.00 -0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 52.64 3dhh s GLN 460 Cb -0.20 -1.70 0.07 0.00 -0.22 0.00 0.00 33.01 30.95 3dhh s GLN 460 CO 0.03 0.25 1.09 -2.14 -0.25 0.00 0.00 175.29 174.27 3dhh s PRO 461 N 0.07 2.10 -1.45 2.91 0.02 -1.26 -4.85 135.00 132.55 3dhh s PRO 461 Ca -0.06 1.17 -0.13 0.00 0.02 0.00 0.00 61.00 62.00 3dhh s PRO 461 Cb -0.13 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.56 3dhh s PRO 461 CO 0.03 -1.75 2.23 -1.33 -0.33 0.00 0.00 177.00 175.85 3dhh n MET 462 N -3.60 3.02 -4.15 5.54 2.81 -1.21 -3.97 117.12 115.56 3dhh n MET 462 Ca 0.09 -2.70 -0.11 0.00 -1.81 0.00 0.00 57.70 53.17 3dhh n MET 462 Cb 0.53 -3.20 -0.09 0.00 -0.71 0.00 0.00 33.22 29.74 3dhh n MET 462 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3dhh s THR 463 N 2.73 0.03 0.21 2.03 -4.23 -1.26 -5.01 115.64 110.13 3dhh s THR 463 Ca 0.48 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 3dhh s THR 463 Cb 0.14 -2.31 0.14 0.00 1.34 0.00 0.00 72.50 71.80 3dhh s THR 463 CO -0.08 -0.12 1.82 0.25 -0.54 0.00 0.00 174.62 175.95 3dhh h LEU 464 N 2.62 0.61 -0.62 4.79 5.85 -1.96 0.03 115.31 126.63 3dhh h LEU 464 Ca -0.34 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3dhh h LEU 464 Cb 1.24 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3dhh h LEU 464 CO 0.52 0.41 0.26 -0.08 -0.34 0.00 0.00 178.44 179.21 3dhh h GLU 465 N 0.75 0.92 -0.85 1.25 4.81 -1.97 -0.96 114.58 118.53 3dhh h GLU 465 Ca 0.29 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3dhh h GLU 465 Cb 0.12 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3dhh h GLU 465 CO -0.15 0.77 0.49 0.78 -0.73 0.00 0.00 179.01 180.17 3dhh h GLY 466 N 0.86 1.24 0.90 1.92 0.00 -1.52 -1.28 103.07 105.20 3dhh h GLY 466 Ca 0.21 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3dhh h GLY 466 CO -0.02 0.51 0.09 0.00 0.00 0.00 0.00 176.54 177.12 3dhh h ALA 467 N 1.27 0.28 -0.55 3.60 0.00 -0.66 -0.69 119.26 122.51 3dhh h ALA 467 Ca 0.30 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3dhh h ALA 467 Cb -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3dhh h ALA 467 CO -0.05 -0.13 0.27 -0.07 0.00 0.00 0.00 179.25 179.26 3dhh h LEU 468 N 0.20 0.38 -0.62 0.00 3.38 -0.99 0.48 115.31 118.14 3dhh h LEU 468 Ca 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3dhh h LEU 468 Cb 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3dhh h LEU 468 CO -0.01 0.25 0.20 0.11 0.09 0.00 0.00 178.44 179.09 3dhh h LYS 469 N 0.52 0.96 -0.91 1.13 1.79 -1.08 -2.59 116.57 116.39 3dhh h LYS 469 Ca 0.25 -0.20 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 3dhh h LYS 469 Cb 0.18 -0.14 -0.06 0.00 -1.58 0.00 0.00 32.23 30.64 3dhh h LYS 469 CO -0.19 0.85 0.59 -0.92 -1.08 0.00 0.00 179.45 178.70 3dhh h TYR 470 N 0.89 1.10 0.00 -1.35 3.20 -0.65 -2.33 116.97 117.83 3dhh h TYR 470 Ca 0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.10 3dhh h TYR 470 Cb 0.28 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3dhh h TYR 470 CO 0.02 0.62 0.00 -1.33 -1.64 0.00 0.00 178.16 175.82 3dhh n MET 471 N -4.53 0.29 0.00 1.82 2.81 0.12 -4.27 117.12 113.36 3dhh n MET 471 Ca 0.12 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3dhh n MET 471 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 3dhh n MET 471 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dhh n GLY 472 N 0.21 0.83 3.75 3.03 0.00 -0.88 -2.89 105.19 109.25 3dhh n GLY 472 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3dhh n GLY 472 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dhh s PHE 473 N -2.00 3.22 -0.13 1.61 0.08 -1.08 -4.94 117.98 114.74 3dhh s PHE 473 Ca 0.00 1.32 0.03 0.00 0.12 0.00 0.00 56.93 58.40 3dhh s PHE 473 Cb 0.00 -3.60 -0.03 0.00 -0.57 0.00 0.00 43.02 38.82 3dhh s PHE 473 CO 0.00 -1.76 0.12 1.04 -0.10 0.00 0.00 175.22 174.52 3dhh n GLN 474 N 1.90 6.05 -3.47 0.44 6.02 -1.26 -4.67 117.38 122.39 3dhh n GLN 474 Ca 0.03 -0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 3dhh n GLN 474 Cb 0.43 -0.63 -0.03 0.00 1.02 0.00 0.00 30.24 31.03 3dhh n GLN 474 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3dhh s SER 475 N -1.25 -0.52 0.48 1.08 1.04 -1.26 -5.04 113.70 108.23 3dhh s SER 475 Ca 0.01 0.01 0.14 0.00 0.48 0.00 0.00 55.95 56.59 3dhh s SER 475 Cb 0.02 0.57 1.11 0.00 0.10 0.00 0.00 66.02 67.82 3dhh s SER 475 CO 0.11 -0.92 2.07 -0.29 0.98 0.00 0.00 173.24 175.20 3dhh h ILE 476 N 2.16 1.07 0.00 -1.02 2.10 -1.99 -2.37 117.51 117.46 3dhh h ILE 476 Ca -0.33 -0.28 -0.03 0.00 1.08 0.00 0.00 64.86 65.29 3dhh h ILE 476 Cb 1.29 1.09 -0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3dhh h ILE 476 CO 0.40 0.09 -0.15 -0.33 -1.08 0.00 0.00 178.15 177.08 3dhh h GLU 477 N 0.06 0.00 0.00 2.19 3.07 -2.03 -3.18 114.58 114.69 3dhh h GLU 477 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.75 3dhh h GLU 477 Cb 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 3dhh h GLU 477 CO 0.01 0.15 -0.60 0.93 -1.40 0.00 0.00 179.01 178.10 3dhh h GLU 478 N 0.00 0.00 -6.86 2.33 5.08 -1.80 -3.45 114.58 109.88 3dhh h GLU 478 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 3dhh h GLU 478 Cb 0.54 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.85 3dhh h GLU 478 CO 0.02 0.60 0.66 -1.64 -1.00 0.00 0.00 179.01 177.64 3dhh s MET 479 N -3.27 4.33 0.42 2.33 -1.94 -1.20 -4.55 119.30 115.41 3dhh s MET 479 Ca 0.01 2.24 -0.26 0.00 -1.71 0.00 0.00 55.69 55.97 3dhh s MET 479 Cb 0.10 -3.07 -0.09 0.00 2.01 0.00 0.00 34.83 33.78 3dhh s MET 479 CO 0.75 -0.24 1.39 0.20 -0.01 0.00 0.00 175.02 177.11 3dhh s GLY 480 N -0.34 2.93 0.34 -0.03 0.00 -0.13 -4.94 107.32 105.15 3dhh s GLY 480 Ca 0.50 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.65 3dhh s GLY 480 CO 0.52 2.00 0.08 0.54 0.00 0.00 0.00 173.10 176.24 3dhh s LYS 481 N -2.29 1.71 0.25 2.90 1.02 -1.26 -3.14 119.74 118.93 3dhh s LYS 481 Ca 0.58 -1.97 -0.31 0.00 0.02 0.00 0.00 55.97 54.29 3dhh s LYS 481 Cb -0.42 -0.75 -0.11 0.00 -0.52 0.00 0.00 37.83 36.03 3dhh s LYS 481 CO 0.54 -0.27 1.58 0.34 -0.92 0.00 0.00 175.35 176.62 3dhh s ASP 482 N -3.51 6.46 0.36 2.83 2.15 -1.26 -3.19 116.67 120.51 3dhh s ASP 482 Ca 0.33 2.84 0.04 0.00 0.43 0.00 0.00 52.55 56.19 3dhh s ASP 482 Cb 0.07 -2.62 0.71 0.00 -0.30 0.00 0.00 42.92 40.78 3dhh s ASP 482 CO 0.15 -0.87 1.99 0.00 -0.17 0.00 0.00 175.17 176.27 3dhh h ALA 483 N 5.47 1.64 -0.45 3.66 0.00 -1.21 -1.89 119.26 126.48 3dhh h ALA 483 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dhh h ALA 483 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dhh h ALA 483 CO 0.83 0.28 0.00 0.72 0.00 0.00 0.00 179.25 181.09 3dhh n HIS 484 N -4.46 1.39 -4.20 0.00 8.25 -1.26 -4.76 115.22 110.17 3dhh n HIS 484 Ca 0.08 -0.74 -0.32 0.00 -0.26 0.00 0.00 57.72 56.48 3dhh n HIS 484 Cb 0.14 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 30.86 3dhh n HIS 484 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3dhh n ASP 485 N 0.28 -1.06 -0.30 0.41 8.00 -0.71 -1.00 116.55 122.17 3dhh n ASP 485 Ca 0.24 -1.11 -0.04 0.00 0.71 0.00 0.00 54.79 54.59 3dhh n ASP 485 Cb 0.95 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.12 39.62 3dhh n ASP 485 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dhh n PHE 486 N -4.40 0.00 0.28 1.24 3.01 -1.26 -4.86 117.46 111.47 3dhh n PHE 486 Ca -0.15 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.49 3dhh n PHE 486 Cb 0.60 -2.11 0.95 0.00 -0.01 0.00 0.00 39.48 38.91 3dhh n PHE 486 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dhh h ALA 487 N 0.00 1.45 0.00 4.37 0.00 -1.48 -1.72 119.26 121.89 3dhh h ALA 487 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dhh h ALA 487 Cb 0.98 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dhh h ALA 487 CO 0.12 -0.20 -0.04 0.11 0.00 0.00 0.00 179.25 179.23 3dhh h TRP 488 N 0.00 0.00 0.00 0.00 5.08 -1.89 -2.40 115.95 116.74 3dhh h TRP 488 Ca 0.04 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.94 3dhh h TRP 488 Cb 0.36 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.51 3dhh h TRP 488 CO 0.00 0.04 -0.34 0.00 -1.28 0.00 0.00 178.44 176.87 3dhh h ALA 489 N 1.96 1.34 -0.01 0.11 0.00 -1.71 -2.34 119.26 118.60 3dhh h ALA 489 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dhh h ALA 489 Cb 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dhh h ALA 489 CO 0.01 0.42 0.03 -0.44 0.00 0.00 0.00 179.25 179.26 3dhh h ASP 490 N 0.00 0.00 0.30 0.00 3.32 -1.62 0.47 116.42 118.89 3dhh h ASP 490 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dhh h ASP 490 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3dhh h ASP 490 CO 0.04 0.00 -0.31 0.29 -1.72 0.00 0.00 179.24 177.54 3dhh n LYS 491 N -3.42 0.63 0.00 3.56 5.02 -0.88 -5.19 118.16 117.89 3dhh n LYS 491 Ca -0.03 -0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.02 3dhh n LYS 491 Cb 0.10 -1.49 0.28 0.00 -0.02 0.00 0.00 35.03 33.91 3dhh n LYS 491 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88