#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5j s MET 3 N 0.00 2.71 -0.03 0.00 1.00 -1.26 -5.13 119.30 116.59 3i5j s MET 3 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 55.69 54.83 3i5j s MET 3 Cb 0.00 -2.63 -0.05 0.00 0.00 0.00 0.00 34.83 32.15 3i5j s MET 3 CO 0.00 0.56 0.30 -1.01 0.00 0.00 0.00 175.02 174.86 3i5j s HIS 4 N -1.33 3.64 0.58 -0.03 3.76 -1.26 -5.08 115.29 115.58 3i5j s HIS 4 Ca 0.27 0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 55.74 3i5j s HIS 4 Cb -0.12 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 3i5j s HIS 4 CO 0.19 0.65 1.10 -1.25 -0.85 0.00 0.00 174.74 174.58 3i5j s PRO 5 N -1.31 3.24 0.35 8.40 0.04 -1.26 -4.91 135.00 139.56 3i5j s PRO 5 Ca 0.23 1.44 0.04 0.00 0.04 0.00 0.00 61.00 62.76 3i5j s PRO 5 Cb -0.14 -2.00 0.70 0.00 0.04 0.00 0.00 34.50 33.09 3i5j s PRO 5 CO 0.12 -0.91 1.97 -0.09 0.04 0.00 0.00 177.00 178.12 3i5j h ARG 6 N 0.76 0.78 -0.51 4.56 2.43 -1.99 -0.71 114.38 119.70 3i5j h ARG 6 Ca -0.48 -0.05 0.15 0.00 -0.81 0.00 0.00 59.98 58.79 3i5j h ARG 6 Cb 1.24 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 3i5j h ARG 6 CO 0.56 0.52 0.38 1.57 -1.51 0.00 0.00 179.97 181.49 3i5j h LYS 7 N 0.81 0.00 0.00 0.20 2.10 -2.00 0.20 116.57 117.87 3i5j h LYS 7 Ca 0.30 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.89 3i5j h LYS 7 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 3i5j h LYS 7 CO -0.09 0.00 -0.27 -0.44 -2.00 0.00 0.00 179.45 176.65 3i5j h ASP 8 N 0.00 0.00 0.00 7.07 5.19 -1.48 -3.35 116.42 123.84 3i5j h ASP 8 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3i5j h ASP 8 Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.50 3i5j h ASP 8 CO -0.00 0.27 0.00 -2.67 -3.12 0.00 0.00 179.24 173.72 3i5j n TRP 9 N -3.18 0.00 -0.35 4.55 4.27 -0.86 -4.80 117.44 117.08 3i5j n TRP 9 Ca 0.03 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.73 3i5j n TRP 9 Cb 0.62 0.00 0.28 0.00 -1.36 0.00 0.00 31.31 30.85 3i5j n TRP 9 CO 0.00 0.00 0.00 -0.92 -2.29 0.00 0.00 177.69 174.48 3i5j h TYR 10 N 0.00 1.08 -0.36 -2.67 3.20 -0.77 -2.17 116.97 115.28 3i5j h TYR 10 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3i5j h TYR 10 Cb 0.04 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3i5j h TYR 10 CO 0.00 0.39 0.15 0.93 -1.64 0.00 0.00 178.16 177.99 3i5j h GLU 11 N 0.91 0.51 0.00 1.82 4.39 -1.84 0.89 114.58 121.25 3i5j h GLU 11 Ca 0.51 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 60.08 3i5j h GLU 11 Cb 0.61 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 3i5j h GLU 11 CO -0.28 0.42 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.57 3i5j h LEU 12 N 0.51 0.00 -1.91 1.33 3.38 -1.75 -2.27 115.31 114.61 3i5j h LEU 12 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i5j h LEU 12 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3i5j h LEU 12 CO -0.01 0.35 -0.12 0.71 0.09 0.00 0.00 178.44 179.46 3i5j h THR 13 N 0.00 0.55 -0.11 0.22 1.35 -0.83 -2.88 112.91 111.22 3i5j h THR 13 Ca -0.00 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3i5j h THR 13 Cb 0.68 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3i5j h THR 13 CO 0.05 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.32 3i5j n ARG 14 N -3.63 2.18 -2.00 4.72 1.85 -0.94 -4.74 116.66 114.09 3i5j n ARG 14 Ca -0.02 -2.45 -0.42 0.00 -1.00 0.00 0.00 57.85 53.97 3i5j n ARG 14 Cb 0.24 -1.51 -0.00 0.00 -1.05 0.00 0.00 32.46 30.14 3i5j n ARG 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i5j n ALA 15 N -0.84 5.84 -0.32 2.89 0.00 -0.90 -4.52 120.51 122.67 3i5j n ALA 15 Ca 0.15 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.51 3i5j n ALA 15 Cb 0.64 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.93 3i5j n ALA 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i5j n THR 16 N 3.66 0.30 -2.55 0.00 -2.24 -1.26 -5.02 114.28 107.17 3i5j n THR 16 Ca 0.50 -0.49 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 3i5j n THR 16 Cb 0.34 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 3i5j n THR 16 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3i5j s ASN 17 N -0.30 7.20 0.15 3.42 -0.87 -1.26 -5.05 114.94 118.23 3i5j s ASN 17 Ca 0.00 2.15 -0.05 0.00 -1.57 0.00 0.00 52.86 53.39 3i5j s ASN 17 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.25 38.59 3i5j s ASN 17 CO 0.00 -0.18 0.17 -1.66 -2.57 0.00 0.00 177.10 172.86 3i5j s TRP 18 N -1.31 0.67 -0.39 2.20 -2.14 -1.26 -5.13 118.94 111.59 3i5j s TRP 18 Ca 0.48 -1.03 -0.22 0.00 2.66 0.00 0.00 56.10 57.98 3i5j s TRP 18 Cb -0.28 -0.28 0.01 0.00 -3.10 0.00 0.00 33.47 29.82 3i5j s TRP 18 CO 0.36 -0.63 0.73 0.99 -2.66 0.00 0.00 176.95 175.74 3i5j s THR 19 N -4.02 4.76 0.51 0.66 2.01 -1.26 -5.03 115.64 113.27 3i5j s THR 19 Ca 0.22 0.65 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 3i5j s THR 19 Cb 0.05 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 3i5j s THR 19 CO 0.02 -0.48 1.28 -2.84 -0.69 0.00 0.00 174.62 171.91 3i5j s PRO 20 N 3.02 3.38 0.00 4.92 0.02 -1.26 -4.94 135.00 140.15 3i5j s PRO 20 Ca 0.29 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.35 3i5j s PRO 20 Cb -0.13 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.07 3i5j s PRO 20 CO 0.18 -0.94 0.00 0.43 -0.33 0.00 0.00 177.00 176.34 3i5j n SER 21 N -0.82 2.12 0.03 2.53 7.64 -1.26 -4.79 113.62 119.07 3i5j n SER 21 Ca 0.09 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.08 3i5j n SER 21 Cb 0.46 0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 63.87 3i5j n SER 21 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i5j n TYR 22 N -1.01 0.30 -4.34 1.43 4.01 -1.26 -4.84 117.16 111.45 3i5j n TYR 22 Ca 0.00 0.09 -0.18 0.00 -0.16 0.00 0.00 57.90 57.65 3i5j n TYR 22 Cb 0.16 -0.53 -0.10 0.00 -0.31 0.00 0.00 39.34 38.55 3i5j n TYR 22 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3i5j s VAL 23 N -3.33 1.33 0.76 -0.72 -7.23 -1.26 -5.17 120.40 104.78 3i5j s VAL 23 Ca -0.01 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3i5j s VAL 23 Cb 0.13 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.92 3i5j s VAL 23 CO 0.84 -0.47 1.10 0.42 -0.31 0.00 0.00 175.10 176.68 3i5j s THR 24 N -3.22 3.23 0.15 5.32 -4.23 -1.26 -4.73 115.64 110.90 3i5j s THR 24 Ca 0.25 0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 61.00 3i5j s THR 24 Cb 0.03 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.63 3i5j s THR 24 CO 0.07 -0.52 1.76 -0.08 -0.54 0.00 0.00 174.62 175.31 3i5j h GLU 25 N -0.89 0.62 -0.59 3.99 4.81 -1.99 -1.86 114.58 118.67 3i5j h GLU 25 Ca -0.46 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 3i5j h GLU 25 Cb 1.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3i5j h GLU 25 CO 0.61 0.49 0.25 1.49 -0.73 0.00 0.00 179.01 181.12 3i5j h GLU 26 N 0.58 0.85 -0.65 1.92 4.57 -1.94 0.13 114.58 120.04 3i5j h GLU 26 Ca 0.16 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 3i5j h GLU 26 Cb 0.05 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.45 3i5j h GLU 26 CO -0.03 0.68 0.16 1.96 -1.18 0.00 0.00 179.01 180.61 3i5j h GLN 27 N 0.84 1.04 -0.03 1.92 4.20 -1.86 -1.24 115.11 119.97 3i5j h GLN 27 Ca 0.20 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 3i5j h GLN 27 Cb 0.14 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3i5j h GLN 27 CO -0.02 0.93 -0.78 1.25 -0.67 0.00 0.00 178.83 179.53 3i5j h LEU 28 N 0.96 0.33 -5.72 1.46 5.85 -0.56 -3.33 115.31 114.29 3i5j h LEU 28 Ca 0.20 -0.23 -0.58 0.00 0.84 0.00 0.00 57.88 58.11 3i5j h LEU 28 Cb 0.36 -0.10 -0.42 0.00 0.37 0.00 0.00 40.66 40.87 3i5j h LEU 28 CO 0.00 0.99 -0.69 0.49 -0.34 0.00 0.00 178.44 178.88 3i5j n PHE 29 N -3.75 3.34 -1.72 1.25 3.72 0.38 -4.99 117.46 115.68 3i5j n PHE 29 Ca -0.04 -4.02 -0.43 0.00 -0.05 0.00 0.00 57.45 52.92 3i5j n PHE 29 Cb 0.74 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 3i5j n PHE 29 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3i5j n PRO 30 N 0.30 2.37 -0.32 -1.08 -0.04 -0.47 -4.67 135.00 131.08 3i5j n PRO 30 Ca 0.30 0.84 0.10 0.00 -0.04 0.00 0.00 63.50 64.70 3i5j n PRO 30 Cb 0.43 -2.53 0.31 0.00 -0.04 0.00 0.00 33.50 31.67 3i5j n PRO 30 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3i5j h GLU 31 N 3.89 0.80 0.00 0.54 4.57 -1.96 0.19 114.58 122.61 3i5j h GLU 31 Ca -0.47 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 3i5j h GLU 31 Cb 1.26 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3i5j h GLU 31 CO 0.73 0.53 -0.06 0.07 -1.18 0.00 0.00 179.01 179.10 3i5j h ARG 32 N 0.83 0.00 0.00 1.92 0.11 -1.97 0.22 114.38 115.48 3i5j h ARG 32 Ca 0.49 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 60.34 3i5j h ARG 32 Cb 0.65 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.69 3i5j h ARG 32 CO -0.25 0.06 -2.07 -1.33 0.10 0.00 0.00 179.97 176.47 3i5j n MET 33 N -3.32 1.03 -0.10 0.08 2.81 -0.08 -3.89 117.12 113.64 3i5j n MET 33 Ca -0.01 -0.05 -0.22 0.00 -1.81 0.00 0.00 57.70 55.60 3i5j n MET 33 Cb 0.22 -1.44 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 3i5j n MET 33 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3i5j n SER 34 N -2.49 1.99 -1.90 7.83 2.88 0.47 0.00 113.62 122.41 3i5j n SER 34 Ca -0.21 0.14 -0.15 0.00 -1.33 0.00 0.00 58.87 57.32 3i5j n SER 34 Cb 0.89 -0.69 0.01 0.00 -0.75 0.00 0.00 64.21 63.66 3i5j n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i5j n GLY 35 N 1.82 -0.21 0.00 0.46 0.00 0.74 -2.13 105.19 105.87 3i5j n GLY 35 Ca -0.43 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.43 3i5j n GLY 35 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i5j n HIS 36 N -4.07 0.00 -3.15 1.61 1.44 -1.26 -4.59 115.22 105.20 3i5j n HIS 36 Ca -0.14 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.37 3i5j n HIS 36 Cb 0.61 -0.33 -0.00 0.00 0.12 0.00 0.00 29.99 30.39 3i5j n HIS 36 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3i5j n MET 37 N -1.33 -3.12 -0.95 -1.40 0.00 -1.26 -1.42 117.12 107.64 3i5j n MET 37 Ca 0.05 0.47 0.00 0.00 0.00 0.00 0.00 57.70 58.22 3i5j n MET 37 Cb 0.11 -5.15 0.00 0.00 0.00 0.00 0.00 33.22 28.18 3i5j n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i5j n GLY 38 N -1.07 0.91 3.67 3.03 0.00 -1.26 -5.00 105.19 105.47 3i5j n GLY 38 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3i5j n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5j s ILE 39 N -3.62 4.04 0.58 -0.61 1.01 -0.51 -4.98 121.20 117.10 3i5j s ILE 39 Ca 0.00 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.80 3i5j s ILE 39 Cb 0.00 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3i5j s ILE 39 CO 0.00 -0.06 1.11 -2.16 0.00 0.00 0.00 174.94 173.83 3i5j s PRO 40 N 3.01 3.22 0.33 2.79 0.04 -1.26 -4.92 135.00 138.21 3i5j s PRO 40 Ca 0.60 1.51 0.10 0.00 0.04 0.00 0.00 61.00 63.25 3i5j s PRO 40 Cb -0.26 -2.00 0.98 0.00 0.04 0.00 0.00 34.50 33.26 3i5j s PRO 40 CO 0.21 -0.94 1.63 -0.07 0.04 0.00 0.00 177.00 177.88 3i5j h LEU 41 N 0.83 0.21 -1.29 -3.56 3.38 -1.94 -0.34 115.31 112.61 3i5j h LEU 41 Ca -0.49 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3i5j h LEU 41 Cb 1.25 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 3i5j h LEU 41 CO 0.56 -0.22 -0.36 -0.08 0.09 0.00 0.00 178.44 178.44 3i5j h GLU 42 N 0.20 0.00 0.00 1.13 4.81 -1.95 -1.66 114.58 117.11 3i5j h GLU 42 Ca 0.68 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.85 3i5j h GLU 42 Cb 1.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 3i5j h GLU 42 CO -0.68 0.36 -0.27 0.87 -0.73 0.00 0.00 179.01 178.55 3i5j h LYS 43 N 0.00 0.00 0.00 1.92 1.79 -1.41 -2.98 116.57 115.89 3i5j h LYS 43 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i5j h LYS 43 Cb 0.64 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 3i5j h LYS 43 CO 0.05 0.27 0.00 -1.49 -1.08 0.00 0.00 179.45 177.20 3i5j h TRP 44 N 0.00 0.00 0.00 -1.35 4.06 -1.33 -3.08 115.95 114.25 3i5j h TRP 44 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3i5j h TRP 44 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 3i5j h TRP 44 CO 0.00 0.00 0.00 0.93 -3.56 0.00 0.00 178.44 175.81 3i5j h GLU 45 N 0.00 0.00 0.00 0.49 5.08 -1.54 -2.22 114.58 116.40 3i5j h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i5j h GLU 45 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3i5j h GLU 45 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 3i5j n SER 46 N -3.05 0.24 -4.61 1.42 3.41 -1.16 -4.86 113.62 105.01 3i5j n SER 46 Ca -0.01 0.54 -0.53 0.00 -0.26 0.00 0.00 58.87 58.61 3i5j n SER 46 Cb 0.21 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3i5j n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i5j n TYR 47 N -1.74 1.59 -3.58 7.33 9.36 -0.83 -4.96 117.16 124.34 3i5j n TYR 47 Ca 0.05 0.63 -0.29 0.00 3.32 0.00 0.00 57.90 61.60 3i5j n TYR 47 Cb 0.28 -2.35 -0.13 0.00 -0.63 0.00 0.00 39.34 36.50 3i5j n TYR 47 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3i5j s ASP 48 N 1.02 3.44 0.08 2.98 2.15 -1.26 -4.69 116.67 120.38 3i5j s ASP 48 Ca 0.87 -1.94 -0.34 0.00 0.43 0.00 0.00 52.55 51.57 3i5j s ASP 48 Cb -0.98 -0.59 -0.13 0.00 -0.30 0.00 0.00 42.92 40.92 3i5j s ASP 48 CO 0.50 -0.35 1.69 -1.84 -0.17 0.00 0.00 175.17 175.00 3i5j n GLU 49 N 4.40 2.21 0.16 4.34 0.00 -1.26 -4.87 120.64 125.62 3i5j n GLU 49 Ca 0.04 0.80 0.12 0.00 0.00 0.00 0.00 57.16 58.13 3i5j n GLU 49 Cb 0.39 -2.61 0.19 0.00 0.00 0.00 0.00 31.44 29.41 3i5j n GLU 49 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 3i5j h PRO 50 N 7.15 0.00 -3.44 3.44 0.13 -1.97 -3.38 132.00 133.92 3i5j h PRO 50 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 3i5j h PRO 50 Cb 1.26 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 3i5j h PRO 50 CO 0.91 0.00 -0.46 -0.47 -0.23 0.00 0.00 178.00 177.75 3i5j s TYR 51 N -3.21 3.36 0.54 1.56 6.04 -1.26 -5.08 117.35 119.29 3i5j s TYR 51 Ca 0.06 -2.97 -0.08 0.00 0.04 0.00 0.00 57.07 54.12 3i5j s TYR 51 Cb 0.08 -3.02 -0.04 0.00 -1.04 0.00 0.00 41.96 37.94 3i5j s TYR 51 CO 0.68 -0.77 0.90 0.15 -1.54 0.00 0.00 175.55 174.97 3i5j s LYS 52 N -0.35 3.59 0.28 4.97 1.02 -1.26 -4.92 119.74 123.07 3i5j s LYS 52 Ca 0.18 0.48 -0.09 0.00 0.02 0.00 0.00 55.97 56.56 3i5j s LYS 52 Cb -0.21 -2.24 -0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3i5j s LYS 52 CO -0.03 -0.36 0.46 -0.08 -0.92 0.00 0.00 175.35 174.42 3i5j s THR 53 N -2.92 0.00 0.14 2.17 -1.32 -1.26 -5.14 115.64 107.31 3i5j s THR 53 Ca 0.51 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.50 3i5j s THR 53 Cb -0.11 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 3i5j s THR 53 CO 0.48 0.00 0.03 -0.94 -2.21 0.00 0.00 174.62 171.98 3i5j s SER 54 N -3.09 0.69 0.15 8.08 1.04 -1.26 -5.02 113.70 114.29 3i5j s SER 54 Ca 0.26 -1.17 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 3i5j s SER 54 Cb -0.00 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.36 3i5j s SER 54 CO 0.13 -0.65 1.75 0.22 0.98 0.00 0.00 173.24 175.67 3i5j h TYR 55 N 2.83 0.64 -0.32 5.02 5.03 -2.02 -0.26 116.97 127.89 3i5j h TYR 55 Ca -0.36 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 60.86 3i5j h TYR 55 Cb 1.20 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.26 3i5j h TYR 55 CO 0.48 0.49 -0.10 -1.35 -1.32 0.00 0.00 178.16 176.37 3i5j h PRO 56 N 0.60 0.54 -0.44 1.82 0.11 -2.01 -2.05 132.00 130.58 3i5j h PRO 56 Ca 0.16 -0.15 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 3i5j h PRO 56 Cb 0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3i5j h PRO 56 CO -0.02 0.64 -0.24 0.93 -0.21 0.00 0.00 178.00 179.10 3i5j h GLU 57 N 0.50 0.92 0.39 1.05 5.08 -1.87 -2.97 114.58 117.69 3i5j h GLU 57 Ca 0.09 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3i5j h GLU 57 Cb 0.48 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3i5j h GLU 57 CO 0.03 1.06 -0.33 -0.92 -1.00 0.00 0.00 179.01 177.84 3i5j h TYR 58 N 0.79 -0.90 -0.43 4.33 3.20 -0.57 -0.40 116.97 122.99 3i5j h TYR 58 Ca 0.10 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3i5j h TYR 58 Cb 0.80 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 3i5j h TYR 58 CO 0.05 -0.48 0.10 -0.39 -1.64 0.00 0.00 178.16 175.80 3i5j h VAL 59 N -0.73 1.19 -0.17 1.81 -1.51 -1.43 0.77 116.25 116.18 3i5j h VAL 59 Ca -0.03 -0.68 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 3i5j h VAL 59 Cb 0.64 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 3i5j h VAL 59 CO -0.03 0.25 0.04 -1.28 -1.23 0.00 0.00 177.57 175.32 3i5j h SER 60 N 0.62 0.25 -0.09 4.19 0.87 -1.37 -1.18 113.55 116.85 3i5j h SER 60 Ca 0.14 -0.23 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 3i5j h SER 60 Cb 0.24 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3i5j h SER 60 CO -0.00 0.42 -0.50 0.40 -0.53 0.00 0.00 176.83 176.62 3i5j h ILE 61 N 0.07 1.38 -0.12 2.23 1.08 -0.84 -2.68 117.51 118.62 3i5j h ILE 61 Ca 0.05 -1.84 -0.06 0.00 -0.39 0.00 0.00 64.86 62.62 3i5j h ILE 61 Cb 0.27 2.24 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 3i5j h ILE 61 CO 0.00 0.55 -0.21 1.56 -0.69 0.00 0.00 178.15 179.36 3i5j h GLN 62 N 0.07 0.21 -0.50 2.37 1.08 -0.91 -0.16 115.11 117.28 3i5j h GLN 62 Ca -0.04 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.17 3i5j h GLN 62 Cb 1.15 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.50 3i5j h GLN 62 CO 0.10 0.42 0.19 -0.09 -0.95 0.00 0.00 178.83 178.51 3i5j h ARG 63 N 0.20 0.37 -0.51 1.46 2.43 -1.06 -2.02 114.38 115.25 3i5j h ARG 63 Ca 0.03 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3i5j h ARG 63 Cb 0.49 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 3i5j h ARG 63 CO 0.03 0.24 0.04 1.49 -1.51 0.00 0.00 179.97 180.26 3i5j h GLU 64 N 0.38 0.87 -0.33 0.20 4.81 -1.09 -0.27 114.58 119.15 3i5j h GLU 64 Ca 0.24 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3i5j h GLU 64 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3i5j h GLU 64 CO -0.23 0.88 0.16 0.87 -0.73 0.00 0.00 179.01 179.96 3i5j h LYS 65 N 0.74 0.32 -0.34 1.92 1.57 -0.79 -2.64 116.57 117.35 3i5j h LYS 65 Ca 0.15 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3i5j h LYS 65 Cb 0.47 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3i5j h LYS 65 CO 0.02 0.21 -0.37 -0.44 -0.57 0.00 0.00 179.45 178.30 3i5j h ASP 66 N 0.33 0.86 -0.40 0.86 3.32 -1.26 -2.18 116.42 117.95 3i5j h ASP 66 Ca 0.14 -0.38 0.08 0.00 0.02 0.00 0.00 57.03 56.88 3i5j h ASP 66 Cb 0.06 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 3i5j h ASP 66 CO -0.10 1.14 -0.01 0.00 -1.72 0.00 0.00 179.24 178.54 3i5j h ALA 67 N 0.90 0.36 -0.38 3.45 0.00 -0.85 0.40 119.26 123.14 3i5j h ALA 67 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3i5j h ALA 67 Cb 0.93 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i5j h ALA 67 CO 0.09 -0.40 0.05 0.78 0.00 0.00 0.00 179.25 179.77 3i5j h GLY 68 N 0.09 0.69 0.89 0.00 0.00 -1.42 -1.02 103.07 102.31 3i5j h GLY 68 Ca 0.20 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.07 3i5j h GLY 68 CO -0.34 0.43 0.03 0.00 0.00 0.00 0.00 176.54 176.66 3i5j h ALA 69 N 0.91 0.12 -0.30 3.60 0.00 -0.74 -2.01 119.26 120.84 3i5j h ALA 69 Ca 0.12 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3i5j h ALA 69 Cb 0.38 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i5j h ALA 69 CO 0.01 -0.42 -0.32 1.88 0.00 0.00 0.00 179.25 180.40 3i5j h TYR 70 N 0.08 0.75 -0.35 0.00 0.05 -0.95 -2.19 116.97 114.37 3i5j h TYR 70 Ca 0.05 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3i5j h TYR 70 Cb 0.04 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 3i5j h TYR 70 CO -0.11 0.89 0.22 0.77 -1.05 0.00 0.00 178.16 178.88 3i5j h SER 71 N 0.55 0.40 -0.48 3.88 0.02 -1.02 0.15 113.55 117.05 3i5j h SER 71 Ca 0.06 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3i5j h SER 71 Cb 0.81 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 3i5j h SER 71 CO 0.07 0.31 0.20 0.58 -1.14 0.00 0.00 176.83 176.85 3i5j h VAL 72 N 0.46 1.21 -0.32 2.27 2.07 -1.36 0.20 116.25 120.78 3i5j h VAL 72 Ca 0.13 -0.64 0.06 0.00 0.82 0.00 0.00 66.70 67.07 3i5j h VAL 72 Cb -0.03 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3i5j h VAL 72 CO -0.03 0.24 -0.06 0.50 0.02 0.00 0.00 177.57 178.25 3i5j h LYS 73 N 0.64 0.02 -0.62 1.57 3.64 -1.19 -1.98 116.57 118.65 3i5j h LYS 73 Ca 0.16 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3i5j h LYS 73 Cb 0.19 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 3i5j h LYS 73 CO -0.01 0.01 0.32 0.00 -2.27 0.00 0.00 179.45 177.50 3i5j h ALA 74 N 1.31 0.79 0.00 5.00 0.00 -0.81 -2.20 119.26 123.35 3i5j h ALA 74 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3i5j h ALA 74 Cb 0.23 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i5j h ALA 74 CO -0.31 0.33 -0.21 0.00 0.00 0.00 0.00 179.25 179.05 3i5j h ALA 75 N 1.15 1.24 -0.44 0.00 0.00 -0.53 -3.17 119.26 117.50 3i5j h ALA 75 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i5j h ALA 75 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3i5j h ALA 75 CO -0.03 0.26 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3i5j n LEU 76 N -3.68 3.20 -0.13 0.00 4.77 -0.78 -4.63 117.00 115.74 3i5j n LEU 76 Ca -0.01 -1.90 0.26 0.00 -0.03 0.00 0.00 56.01 54.33 3i5j n LEU 76 Cb 0.33 -0.29 0.70 0.00 -2.33 0.00 0.00 43.42 41.83 3i5j n LEU 76 CO 0.33 0.78 1.24 -0.33 -1.33 0.00 0.00 177.39 178.08 3i5j h GLU 77 N 2.87 0.03 -0.32 3.23 4.39 -1.38 -0.06 114.58 123.35 3i5j h GLU 77 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i5j h GLU 77 Cb 0.81 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3i5j h GLU 77 CO 0.00 0.02 0.00 0.54 -1.16 0.00 0.00 179.01 178.41 3i5j n ARG 78 N -4.32 2.24 0.00 2.33 5.12 -1.26 -4.34 116.66 116.44 3i5j n ARG 78 Ca 0.16 -1.88 0.01 0.00 -1.93 0.00 0.00 57.85 54.21 3i5j n ARG 78 Cb 0.84 -1.47 0.05 0.00 -1.16 0.00 0.00 32.46 30.73 3i5j n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i5j n ALA 79 N 1.09 1.32 -2.01 7.54 0.00 -0.04 -4.83 120.51 123.60 3i5j n ALA 79 Ca 0.18 -0.01 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 3i5j n ALA 79 Cb 0.51 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 3i5j n ALA 79 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i5j n LYS 80 N -1.26 -1.31 -0.05 0.00 5.02 -1.26 -4.87 118.16 114.43 3i5j n LYS 80 Ca 0.01 0.94 -0.14 0.00 -2.02 0.00 0.00 58.31 57.10 3i5j n LYS 80 Cb 0.02 -5.31 -0.10 0.00 -0.02 0.00 0.00 35.03 29.62 3i5j n LYS 80 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3i5j h ILE 81 N 0.00 0.00 -0.77 -0.18 1.08 -1.90 1.83 117.51 117.57 3i5j h ILE 81 Ca -0.39 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.25 3i5j h ILE 81 Cb 1.23 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.87 3i5j h ILE 81 CO 0.50 0.00 0.24 0.22 -0.69 0.00 0.00 178.15 178.41 3i5j h TYR 82 N -0.51 0.39 0.10 1.37 3.20 -1.94 0.26 116.97 119.83 3i5j h TYR 82 Ca 0.04 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.67 3i5j h TYR 82 Cb 0.63 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3i5j h TYR 82 CO -0.63 -0.05 -1.37 0.93 -1.64 0.00 0.00 178.16 175.41 3i5j h GLU 83 N 0.33 0.20 0.00 1.82 3.07 -1.45 -3.38 114.58 115.17 3i5j h GLU 83 Ca 0.44 -0.34 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3i5j h GLU 83 Cb 0.75 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 3i5j h GLU 83 CO -0.49 1.09 -1.66 0.09 -1.40 0.00 0.00 179.01 176.63 3i5j n ASN 84 N -3.44 0.33 -4.75 1.42 3.02 0.61 -4.96 115.26 107.49 3i5j n ASN 84 Ca -0.11 0.13 -0.32 0.00 -0.03 0.00 0.00 54.58 54.24 3i5j n ASN 84 Cb 1.02 1.33 0.08 0.00 -0.61 0.00 0.00 39.78 41.60 3i5j n ASN 84 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3i5j s SER 85 N -4.92 4.57 0.32 6.41 0.01 0.85 -4.96 113.70 115.98 3i5j s SER 85 Ca -0.05 2.02 -0.29 0.00 1.31 0.00 0.00 55.95 58.94 3i5j s SER 85 Cb 0.12 -2.55 -0.11 0.00 0.21 0.00 0.00 66.02 63.69 3i5j s SER 85 CO 0.86 -2.00 1.44 -0.62 0.41 0.00 0.00 173.24 173.34 3i5j s ASP 86 N -2.74 6.53 0.58 2.44 -1.08 -1.26 -4.87 116.67 116.27 3i5j s ASP 86 Ca 0.66 2.85 0.29 0.00 -0.52 0.00 0.00 52.55 55.84 3i5j s ASP 86 Cb -0.21 -2.65 1.76 0.00 -1.46 0.00 0.00 42.92 40.36 3i5j s ASP 86 CO 0.48 -0.75 2.23 1.55 0.52 0.00 0.00 175.17 179.20 3i5j h PRO 87 N 3.83 0.00 -0.20 4.34 0.13 -1.93 -1.02 132.00 137.15 3i5j h PRO 87 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3i5j h PRO 87 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3i5j h PRO 87 CO 0.70 0.02 -0.09 0.78 -0.23 0.00 0.00 178.00 179.17 3i5j h GLY 88 N 0.11 0.34 0.68 1.56 0.00 -1.87 -1.20 103.07 102.69 3i5j h GLY 88 Ca -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3i5j h GLY 88 CO 0.00 0.19 -0.03 -0.25 0.00 0.00 0.00 176.54 176.45 3i5j h TRP 89 N 0.30 0.18 -0.71 5.60 2.91 -1.29 -1.68 115.95 121.26 3i5j h TRP 89 Ca 0.06 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.13 3i5j h TRP 89 Cb 0.36 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 28.90 3i5j h TRP 89 CO 0.01 0.50 0.37 0.82 -1.03 0.00 0.00 178.44 179.11 3i5j h ILE 90 N -0.20 0.88 -0.67 2.65 1.08 -1.27 -1.87 117.51 118.11 3i5j h ILE 90 Ca 0.02 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.29 3i5j h ILE 90 Cb 0.45 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 3i5j h ILE 90 CO 0.01 0.12 0.44 0.28 -0.69 0.00 0.00 178.15 178.31 3i5j h SER 91 N 0.64 0.72 -0.59 1.72 0.02 -1.16 -1.73 113.55 113.17 3i5j h SER 91 Ca 0.34 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 3i5j h SER 91 Cb 0.33 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3i5j h SER 91 CO -0.25 0.50 0.30 0.74 -1.14 0.00 0.00 176.83 176.99 3i5j h THR 92 N 0.84 1.20 -0.30 -2.27 2.02 -0.53 0.90 112.91 114.78 3i5j h THR 92 Ca 0.26 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3i5j h THR 92 Cb 0.01 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3i5j h THR 92 CO -0.07 0.23 0.11 -0.07 0.37 0.00 0.00 175.52 176.09 3i5j h LEU 93 N 0.81 0.14 -0.39 2.58 3.38 -1.04 0.45 115.31 121.23 3i5j h LEU 93 Ca 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 3i5j h LEU 93 Cb 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3i5j h LEU 93 CO -0.03 0.12 0.10 0.11 0.09 0.00 0.00 178.44 178.82 3i5j h LYS 94 N 0.25 0.62 -0.51 1.13 1.57 -0.97 -1.36 116.57 117.30 3i5j h LYS 94 Ca 0.13 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3i5j h LYS 94 Cb 0.08 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 3i5j h LYS 94 CO -0.12 0.65 0.33 1.03 -0.57 0.00 0.00 179.45 180.76 3i5j h SER 95 N 0.48 0.60 0.82 0.86 0.87 -0.71 -1.90 113.55 114.58 3i5j h SER 95 Ca 0.12 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3i5j h SER 95 Cb 0.31 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3i5j h SER 95 CO 0.00 0.45 -0.40 -0.74 -0.53 0.00 0.00 176.83 175.61 3i5j h HIS 96 N 0.69 -1.03 -0.76 2.24 -0.00 -0.83 -0.97 115.15 114.48 3i5j h HIS 96 Ca 0.19 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 3i5j h HIS 96 Cb -0.05 0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 27.66 3i5j h HIS 96 CO -0.03 -0.63 0.44 1.88 -0.00 0.00 0.00 177.93 179.59 3i5j h TYR 97 N -1.25 1.01 -0.31 5.26 0.05 -1.27 -0.98 116.97 119.49 3i5j h TYR 97 Ca -0.11 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 3i5j h TYR 97 Cb 0.86 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3i5j h TYR 97 CO -0.00 0.69 0.19 0.78 -1.05 0.00 0.00 178.16 178.77 3i5j h GLY 98 N 1.04 0.45 2.00 3.88 0.00 -1.41 -1.52 103.07 107.51 3i5j h GLY 98 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3i5j h GLY 98 CO -0.05 0.18 0.00 0.00 0.00 0.00 0.00 176.54 176.67 3i5j n ALA 99 N -2.20 2.15 -0.02 3.60 0.00 -0.37 -4.37 120.51 119.30 3i5j n ALA 99 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 3i5j n ALA 99 Cb 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 3i5j n ALA 99 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i5j n ILE 100 N -2.24 0.22 0.05 0.00 2.08 -0.42 -4.66 119.36 114.39 3i5j n ILE 100 Ca 0.05 -0.08 -0.11 0.00 0.56 0.00 0.00 62.75 63.16 3i5j n ILE 100 Cb 0.39 -0.68 -0.04 0.00 -0.75 0.00 0.00 39.64 38.55 3i5j n ILE 100 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i5j h ALA 101 N -0.01 -0.34 0.00 -1.39 0.00 -1.47 0.43 119.26 116.48 3i5j h ALA 101 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i5j h ALA 101 Cb 1.13 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3i5j h ALA 101 CO -0.02 -0.76 0.00 0.28 0.00 0.00 0.00 179.25 178.76 3i5j h VAL 102 N -0.39 0.00 -0.56 0.00 2.07 -1.81 -2.80 116.25 112.76 3i5j h VAL 102 Ca 0.07 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 3i5j h VAL 102 Cb 0.48 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3i5j h VAL 102 CO -0.24 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.55 3i5j h GLY 103 N 3.90 1.07 0.90 2.17 0.00 -1.66 0.03 103.07 109.48 3i5j h GLY 103 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.55 3i5j h GLY 103 CO 0.00 0.73 0.08 0.83 0.00 0.00 0.00 176.54 178.17 3i5j h GLU 104 N 0.90 0.17 -0.60 4.80 4.39 -0.78 -0.61 114.58 122.85 3i5j h GLU 104 Ca 0.16 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3i5j h GLU 104 Cb 0.57 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3i5j h GLU 104 CO 0.03 0.11 0.32 -0.92 -1.16 0.00 0.00 179.01 177.39 3i5j h TYR 105 N 0.18 0.81 -0.60 4.33 3.20 -1.26 -1.16 116.97 122.47 3i5j h TYR 105 Ca 0.07 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.95 3i5j h TYR 105 Cb 0.02 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 3i5j h TYR 105 CO -0.10 0.58 0.40 0.00 -1.64 0.00 0.00 178.16 177.40 3i5j h ALA 106 N 1.51 1.64 0.00 1.82 0.00 -0.38 -2.30 119.26 121.56 3i5j h ALA 106 Ca 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i5j h ALA 106 Cb 0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3i5j h ALA 106 CO -0.03 0.30 -0.11 0.00 0.00 0.00 0.00 179.25 179.41 3i5j h ALA 107 N 1.64 1.34 -0.90 0.00 0.00 0.17 0.34 119.26 121.85 3i5j h ALA 107 Ca 0.23 -0.10 0.22 0.00 0.00 0.00 0.00 54.91 55.26 3i5j h ALA 107 Cb 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 3i5j h ALA 107 CO -0.06 0.14 0.41 0.28 0.00 0.00 0.00 179.25 180.03 3i5j h VAL 108 N 0.00 0.49 -0.15 0.00 2.07 -1.30 -1.73 116.25 115.63 3i5j h VAL 108 Ca -0.00 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 3i5j h VAL 108 Cb 0.30 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3i5j h VAL 108 CO 0.01 0.08 -0.47 0.74 0.02 0.00 0.00 177.57 177.95 3i5j h THR 109 N 0.43 1.33 -0.57 2.57 2.02 -1.06 0.22 112.91 117.84 3i5j h THR 109 Ca 0.56 -1.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.02 3i5j h THR 109 Cb 1.06 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 3i5j h THR 109 CO -0.52 0.51 0.18 1.23 0.37 0.00 0.00 175.52 177.30 3i5j h GLY 110 N 1.21 0.95 1.55 2.16 0.00 -1.31 -0.81 103.07 106.82 3i5j h GLY 110 Ca 0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.66 3i5j h GLY 110 CO 0.08 0.53 -0.38 0.83 0.00 0.00 0.00 176.54 177.59 3i5j h GLU 111 N 0.80 0.50 -0.28 4.80 4.39 -1.09 -2.67 114.58 121.04 3i5j h GLU 111 Ca 0.18 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 3i5j h GLU 111 Cb 0.28 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3i5j h GLU 111 CO -0.01 0.81 -0.29 0.78 -1.16 0.00 0.00 179.01 179.13 3i5j h GLY 112 N 1.08 0.62 0.38 -3.84 0.00 -0.34 -0.46 103.07 100.52 3i5j h GLY 112 Ca 0.04 -0.55 0.08 0.00 0.00 0.00 0.00 47.33 46.90 3i5j h GLY 112 CO 0.07 0.50 0.09 -0.09 0.00 0.00 0.00 176.54 177.12 3i5j h ARG 113 N 0.50 0.22 -0.40 4.80 9.65 -0.91 -1.57 114.38 126.67 3i5j h ARG 113 Ca 0.06 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 3i5j h ARG 113 Cb 0.76 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 3i5j h ARG 113 CO 0.06 0.15 0.04 0.52 2.80 0.00 0.00 179.97 183.54 3i5j h MET 114 N 0.23 0.67 -0.44 0.20 2.86 -1.11 0.36 114.93 117.70 3i5j h MET 114 Ca 0.24 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3i5j h MET 114 Cb 0.31 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3i5j h MET 114 CO -0.31 0.74 0.25 0.00 1.06 0.00 0.00 176.91 178.64 3i5j h ALA 115 N 0.91 1.61 0.09 6.32 0.00 -0.68 -1.59 119.26 125.91 3i5j h ALA 115 Ca 0.12 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 3i5j h ALA 115 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i5j h ALA 115 CO 0.01 0.33 -1.31 -0.09 0.00 0.00 0.00 179.25 178.19 3i5j h ARG 116 N 0.60 0.18 -0.00 0.00 9.65 -1.35 -3.44 114.38 120.02 3i5j h ARG 116 Ca 0.16 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3i5j h ARG 116 Cb 0.00 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3i5j h ARG 116 CO -0.03 1.15 -0.46 1.19 2.80 0.00 0.00 179.97 184.62 3i5j n PHE 117 N -4.04 0.00 -2.12 2.20 3.72 0.11 -4.94 117.46 112.40 3i5j n PHE 117 Ca -0.26 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.73 3i5j n PHE 117 Cb 0.84 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.35 3i5j n PHE 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3i5j s SER 118 N -1.92 6.78 0.00 4.37 0.15 -0.61 -4.48 113.70 117.97 3i5j s SER 118 Ca 0.05 2.57 0.29 0.00 0.70 0.00 0.00 55.95 59.56 3i5j s SER 118 Cb 0.08 -2.62 1.24 0.00 -1.71 0.00 0.00 66.02 63.01 3i5j s SER 118 CO 0.41 -0.59 1.92 0.29 1.20 0.00 0.00 173.24 176.47 3i5j n LYS 119 N 2.08 0.09 -2.90 5.44 5.02 -1.26 -4.71 118.16 121.91 3i5j n LYS 119 Ca 0.05 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 3i5j n LYS 119 Cb 0.42 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 3i5j n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5j s ALA 120 N -2.92 3.53 0.25 7.82 0.00 -1.26 -4.70 121.76 124.48 3i5j s ALA 120 Ca 0.17 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.69 3i5j s ALA 120 Cb 0.19 -3.35 0.28 0.00 0.00 0.00 0.00 23.12 20.24 3i5j s ALA 120 CO 0.53 -1.24 1.92 -1.35 0.00 0.00 0.00 175.76 175.61 3i5j h PRO 121 N 8.11 1.26 -0.11 0.00 0.11 -1.84 -1.44 132.00 138.09 3i5j h PRO 121 Ca -0.24 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3i5j h PRO 121 Cb 1.09 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3i5j h PRO 121 CO 0.90 0.83 -0.14 0.78 -0.21 0.00 0.00 178.00 180.17 3i5j h GLY 122 N 1.30 0.18 0.92 -0.55 0.00 -1.84 -2.51 103.07 100.57 3i5j h GLY 122 Ca 0.37 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3i5j h GLY 122 CO -0.10 0.10 0.05 -0.57 0.00 0.00 0.00 176.54 176.02 3i5j h ASN 123 N 0.16 0.60 -0.76 0.19 -1.24 -1.65 -0.64 115.58 112.23 3i5j h ASN 123 Ca 0.03 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 3i5j h ASN 123 Cb 0.35 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.20 3i5j h ASN 123 CO 0.02 0.72 0.44 0.03 -1.29 0.00 0.00 177.43 177.36 3i5j h ARG 124 N 0.47 1.06 -0.06 6.67 3.08 -0.95 0.24 114.38 124.88 3i5j h ARG 124 Ca 0.11 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3i5j h ARG 124 Cb 0.38 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i5j h ARG 124 CO 0.01 0.76 -0.34 -0.91 -1.07 0.00 0.00 179.97 178.42 3i5j h ASN 125 N 1.07 0.40 0.19 7.04 2.35 -1.36 -2.76 115.58 122.51 3i5j h ASN 125 Ca 0.28 -0.66 -0.03 0.00 -0.55 0.00 0.00 56.30 55.33 3i5j h ASN 125 Cb -0.01 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 3i5j h ASN 125 CO -0.05 1.00 -0.14 0.24 -1.65 0.00 0.00 177.43 176.83 3i5j h MET 126 N -0.17 0.00 0.00 0.81 2.86 -0.92 -1.68 114.93 115.83 3i5j h MET 126 Ca -0.02 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3i5j h MET 126 Cb 1.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 3i5j h MET 126 CO 0.07 0.14 -0.50 0.00 1.06 0.00 0.00 176.91 177.68 3i5j h ALA 127 N 1.86 1.12 -0.25 6.32 0.00 -0.54 -0.89 119.26 126.88 3i5j h ALA 127 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3i5j h ALA 127 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i5j h ALA 127 CO 0.02 0.63 -0.06 1.15 0.00 0.00 0.00 179.25 180.99 3i5j h THR 128 N 0.00 1.28 -0.66 0.00 2.02 -1.01 0.13 112.91 114.67 3i5j h THR 128 Ca -0.01 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.08 3i5j h THR 128 Cb 0.91 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 3i5j h THR 128 CO 0.07 0.33 0.32 -0.26 0.37 0.00 0.00 175.52 176.35 3i5j h PHE 129 N 0.23 0.93 -0.92 3.16 0.04 -1.33 -2.52 116.94 116.52 3i5j h PHE 129 Ca 0.06 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3i5j h PHE 129 Cb 0.53 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 3i5j h PHE 129 CO 0.05 0.67 0.55 0.78 -0.60 0.00 0.00 178.31 179.76 3i5j h GLY 130 N 1.01 1.35 0.93 -1.45 0.00 -0.83 0.26 103.07 104.34 3i5j h GLY 130 Ca 0.23 -0.57 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3i5j h GLY 130 CO -0.03 0.55 0.12 -0.33 0.00 0.00 0.00 176.54 176.86 3i5j h MET 131 N 1.28 0.25 -0.35 4.80 2.86 -0.48 -1.54 114.93 121.74 3i5j h MET 131 Ca 0.33 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 3i5j h MET 131 Cb -0.04 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3i5j h MET 131 CO -0.06 0.17 0.18 0.52 1.06 0.00 0.00 176.91 178.78 3i5j h MET 132 N 0.26 0.50 -0.40 1.72 2.07 -1.00 -1.82 114.93 116.26 3i5j h MET 132 Ca 0.09 -0.07 0.06 0.00 -2.07 0.00 0.00 59.70 57.72 3i5j h MET 132 Cb 0.01 -0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 29.59 3i5j h MET 132 CO -0.05 0.43 0.09 -0.44 1.07 0.00 0.00 176.91 178.01 3i5j h ASP 133 N 0.44 0.02 0.30 1.22 3.32 -0.26 -1.42 116.42 120.04 3i5j h ASP 133 Ca 0.12 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3i5j h ASP 133 Cb 0.09 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3i5j h ASP 133 CO -0.02 0.05 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.80 3i5j h GLU 134 N 0.22 0.17 0.04 3.56 4.39 -1.17 -1.14 114.58 120.65 3i5j h GLU 134 Ca 0.19 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.83 3i5j h GLU 134 Cb 0.23 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3i5j h GLU 134 CO -0.25 0.57 -0.15 1.25 -1.16 0.00 0.00 179.01 179.27 3i5j h LEU 135 N 0.14 -0.41 -0.56 1.33 5.85 -0.98 0.93 115.31 121.61 3i5j h LEU 135 Ca 0.01 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3i5j h LEU 135 Cb 0.81 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 3i5j h LEU 135 CO 0.06 -0.21 -0.14 -0.09 -0.34 0.00 0.00 178.44 177.73 3i5j h ARG 136 N -0.26 0.00 -0.47 1.25 2.43 -0.76 -1.08 114.38 115.50 3i5j h ARG 136 Ca 0.04 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3i5j h ARG 136 Cb 0.30 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3i5j h ARG 136 CO -0.11 0.00 -0.17 0.45 -1.51 0.00 0.00 179.97 178.62 3i5j h HIS 137 N 0.00 1.03 -0.51 2.20 3.86 -0.75 0.22 115.15 121.20 3i5j h HIS 137 Ca 0.27 -0.23 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3i5j h HIS 137 Cb 0.41 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3i5j h HIS 137 CO -0.46 1.00 0.21 0.78 0.86 0.00 0.00 177.93 180.32 3i5j h GLY 138 N 0.94 0.81 0.93 2.45 0.00 -0.57 -2.46 103.07 105.17 3i5j h GLY 138 Ca 0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 3i5j h GLY 138 CO 0.05 0.41 -0.45 1.46 0.00 0.00 0.00 176.54 178.01 3i5j h GLN 139 N 0.68 0.60 -0.43 4.80 4.20 -0.77 -1.88 115.11 122.32 3i5j h GLN 139 Ca 0.17 -0.42 0.07 0.00 0.06 0.00 0.00 58.65 58.53 3i5j h GLN 139 Cb 0.18 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 3i5j h GLN 139 CO -0.02 1.04 0.08 -0.07 -0.67 0.00 0.00 178.83 179.19 3i5j h LEU 140 N 0.26 -0.01 -0.65 1.46 3.38 -0.56 0.63 115.31 119.81 3i5j h LEU 140 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3i5j h LEU 140 Cb 1.06 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3i5j h LEU 140 CO 0.10 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.65 3i5j n GLN 141 N -5.11 1.45 -0.03 1.13 6.02 -0.93 -0.61 117.38 119.30 3i5j n GLN 141 Ca 0.04 -0.65 -0.21 0.00 -0.01 0.00 0.00 57.00 56.16 3i5j n GLN 141 Cb 0.20 -1.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.85 3i5j n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i5j n LEU 142 N -0.20 2.51 -0.16 1.08 4.77 -0.71 -4.37 117.00 119.92 3i5j n LEU 142 Ca 0.20 0.22 -0.06 0.00 -0.03 0.00 0.00 56.01 56.35 3i5j n LEU 142 Cb 0.27 -1.07 0.11 0.00 -2.33 0.00 0.00 43.42 40.41 3i5j n LEU 142 CO 0.17 0.75 0.88 0.15 -1.33 0.00 0.00 177.39 178.01 3i5j h PHE 143 N -0.16 0.98 -0.11 -1.77 3.57 -0.33 -2.73 116.94 116.39 3i5j h PHE 143 Ca -0.43 -0.14 -0.06 0.00 3.53 0.00 0.00 57.97 60.87 3i5j h PHE 143 Cb 1.88 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 3i5j h PHE 143 CO 0.07 0.87 -0.15 0.74 -2.23 0.00 0.00 178.31 177.61 3i5j h PHE 144 N 0.85 0.36 0.00 0.41 -1.00 -1.10 -3.03 116.94 113.43 3i5j h PHE 144 Ca 0.16 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3i5j h PHE 144 Cb 0.47 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3i5j h PHE 144 CO 0.03 0.75 0.00 -1.00 -1.61 0.00 0.00 178.31 176.48 3i5j h PRO 145 N -0.13 0.00 -0.38 1.51 0.13 -1.76 -3.25 132.00 128.11 3i5j h PRO 145 Ca 0.01 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3i5j h PRO 145 Cb 0.71 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.82 3i5j h PRO 145 CO 0.04 0.00 0.26 1.25 -0.23 0.00 0.00 178.00 179.31 3i5j h HIS 146 N 0.00 0.31 0.00 1.56 2.76 -1.35 0.17 115.15 118.60 3i5j h HIS 146 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3i5j h HIS 146 Cb 0.56 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3i5j h HIS 146 CO 0.00 0.18 0.00 1.05 -1.30 0.00 0.00 177.93 177.86 3i5j h GLU 147 N 0.32 0.00 -0.00 5.26 4.11 -1.70 -2.44 114.58 120.13 3i5j h GLU 147 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3i5j h GLU 147 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i5j h GLU 147 CO -0.04 0.00 -0.32 0.66 0.07 0.00 0.00 179.01 179.39 3i5j n TYR 148 N -2.60 0.00 -0.28 2.06 4.01 0.60 -3.87 117.16 117.08 3i5j n TYR 148 Ca 0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.83 3i5j n TYR 148 Cb 0.28 -0.32 0.19 0.00 -0.31 0.00 0.00 39.34 39.17 3i5j n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i5j n LYS 150 N -5.40 0.01 -0.07 0.00 2.85 -1.25 -2.20 118.16 112.09 3i5j n LYS 150 Ca 0.16 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.57 3i5j n LYS 150 Cb 0.54 -1.52 -0.14 0.00 -0.65 0.00 0.00 35.03 33.26 3i5j n LYS 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3i5j n LYS 151 N -1.53 0.68 -3.49 -1.58 5.02 0.97 -4.99 118.16 113.24 3i5j n LYS 151 Ca 0.03 0.14 0.01 0.00 -2.02 0.00 0.00 58.31 56.47 3i5j n LYS 151 Cb 0.16 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 3i5j n LYS 151 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i5j s ASP 152 N -6.08 -1.12 0.63 4.39 -1.08 -0.76 -5.03 116.67 107.63 3i5j s ASP 152 Ca -0.15 1.28 0.38 0.00 -0.52 0.00 0.00 52.55 53.54 3i5j s ASP 152 Cb 0.07 2.17 2.12 0.00 -1.46 0.00 0.00 42.92 45.83 3i5j s ASP 152 CO 0.77 -0.21 2.30 0.03 0.52 0.00 0.00 175.17 178.58 3i5j h ARG 153 N 7.94 0.00 0.00 4.34 3.08 -1.87 -0.92 114.38 126.95 3i5j h ARG 153 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3i5j h ARG 153 Cb 1.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 3i5j h ARG 153 CO 0.13 0.01 -0.03 1.96 -1.07 0.00 0.00 179.97 180.97 3i5j h GLN 154 N 0.00 0.00 0.00 0.04 4.20 -1.85 -1.04 115.11 116.45 3i5j h GLN 154 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i5j h GLN 154 Cb 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3i5j h GLN 154 CO 0.00 0.03 0.00 0.74 -0.67 0.00 0.00 178.83 178.93 3i5j h PHE 155 N 0.00 0.00 0.00 2.96 0.04 -1.48 -2.15 116.94 116.32 3i5j h PHE 155 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3i5j h PHE 155 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 3i5j h PHE 155 CO 0.00 0.00 0.00 0.22 -0.60 0.00 0.00 178.31 177.93 3i5j h ASP 156 N 0.00 0.00 0.73 2.17 3.58 -1.33 -2.32 116.42 119.25 3i5j h ASP 156 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3i5j h ASP 156 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 3i5j h ASP 156 CO 0.00 0.00 0.00 0.79 -2.88 0.00 0.00 179.24 177.15 3i5j n TRP 157 N -3.03 0.00 -0.33 0.28 7.02 -0.81 -1.03 117.44 119.54 3i5j n TRP 157 Ca -0.02 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.60 3i5j n TRP 157 Cb 0.11 -0.40 0.37 0.00 -2.42 0.00 0.00 31.31 28.97 3i5j n TRP 157 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3i5j h ALA 158 N 3.11 1.81 0.05 6.99 0.00 -1.61 -1.60 119.26 128.01 3i5j h ALA 158 Ca 0.00 0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 3i5j h ALA 158 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3i5j h ALA 158 CO 0.00 -0.15 -1.89 1.87 0.00 0.00 0.00 179.25 179.09 3i5j n TRP 159 N -4.68 0.84 0.09 0.00 -0.00 -0.88 -4.36 117.44 108.44 3i5j n TRP 159 Ca 0.22 0.25 -0.06 0.00 -0.00 0.00 0.00 57.50 57.91 3i5j n TRP 159 Cb 0.59 -1.10 0.05 0.00 -0.00 0.00 0.00 31.31 30.86 3i5j n TRP 159 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 3i5j h ARG 160 N -0.46 0.15 -0.45 5.87 2.43 -1.01 -3.38 114.38 117.52 3i5j h ARG 160 Ca -0.46 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 58.66 3i5j h ARG 160 Cb 1.71 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 31.21 3i5j h ARG 160 CO -0.11 0.84 -0.09 0.00 -1.51 0.00 0.00 179.97 179.09 3i5j h ALA 161 N 1.12 0.32 0.00 2.80 0.00 -1.55 0.29 119.26 122.25 3i5j h ALA 161 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i5j h ALA 161 Cb 1.34 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3i5j h ALA 161 CO 0.11 -0.44 0.00 1.88 0.00 0.00 0.00 179.25 180.80 3i5j h TYR 162 N 0.02 0.00 -0.04 0.00 -1.99 -1.83 -0.27 116.97 112.85 3i5j h TYR 162 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 3i5j h TYR 162 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3i5j h TYR 162 CO -0.37 0.00 0.00 0.72 -0.00 0.00 0.00 178.16 178.51 3i5j n HIS 163 N -2.42 0.05 -3.73 4.88 8.25 0.10 -4.94 115.22 117.40 3i5j n HIS 163 Ca 0.01 -0.02 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 3i5j n HIS 163 Cb 0.17 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 3i5j n HIS 163 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3i5j s SER 164 N -1.87 4.82 -0.28 0.41 1.04 -0.11 -5.03 113.70 112.67 3i5j s SER 164 Ca 0.38 -0.95 0.11 0.00 0.48 0.00 0.00 55.95 55.97 3i5j s SER 164 Cb 0.20 -0.24 0.58 0.00 0.10 0.00 0.00 66.02 66.66 3i5j s SER 164 CO 0.32 -0.79 1.57 0.59 0.98 0.00 0.00 173.24 175.90 3i5j n ASN 165 N -1.58 3.48 -4.76 7.02 3.02 -1.25 -4.67 115.26 116.51 3i5j n ASN 165 Ca 0.02 -3.43 -0.38 0.00 -0.03 0.00 0.00 54.58 50.75 3i5j n ASN 165 Cb 0.63 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 3i5j n ASN 165 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i5j s GLU 166 N -3.08 3.63 0.26 3.52 -6.30 -1.14 -4.52 118.70 111.07 3i5j s GLU 166 Ca 0.47 2.10 -0.05 0.00 -2.50 0.00 0.00 54.97 55.00 3i5j s GLU 166 Cb 0.40 -2.50 0.32 0.00 0.00 0.00 0.00 34.13 32.35 3i5j s GLU 166 CO 0.06 -0.75 1.93 0.11 0.02 0.00 0.00 175.26 176.63 3i5j h TRP 167 N 2.10 1.18 0.00 5.30 5.08 -1.91 -0.60 115.95 127.10 3i5j h TRP 167 Ca -0.50 0.01 -0.18 0.00 1.08 0.00 0.00 58.89 59.30 3i5j h TRP 167 Cb 1.26 -0.39 -0.02 0.00 -3.00 0.00 0.00 29.16 27.01 3i5j h TRP 167 CO 0.51 0.76 -0.86 0.00 -1.28 0.00 0.00 178.44 177.57 3i5j h ALA 168 N 1.39 0.59 -0.26 0.11 0.00 -1.89 -0.67 119.26 118.52 3i5j h ALA 168 Ca 0.33 -0.77 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 3i5j h ALA 168 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i5j h ALA 168 CO -0.07 1.05 -0.35 0.00 0.00 0.00 0.00 179.25 179.88 3i5j h ALA 169 N 1.13 0.90 -0.51 0.00 0.00 -1.56 0.11 119.26 119.33 3i5j h ALA 169 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 3i5j h ALA 169 Cb 1.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3i5j h ALA 169 CO 0.11 0.63 0.20 0.82 0.00 0.00 0.00 179.25 181.01 3i5j h ILE 170 N 0.48 1.22 -0.21 0.00 2.04 -0.83 0.76 117.51 120.96 3i5j h ILE 170 Ca 0.05 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3i5j h ILE 170 Cb 0.84 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3i5j h ILE 170 CO 0.07 0.26 0.14 0.00 0.00 0.00 0.00 178.15 178.62 3i5j h ALA 171 N 1.05 0.27 -0.47 1.87 0.00 -0.85 0.33 119.26 121.46 3i5j h ALA 171 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i5j h ALA 171 Cb 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i5j h ALA 171 CO -0.01 -0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.20 3i5j h ALA 172 N 1.07 0.61 -0.07 0.00 0.00 -0.87 -2.40 119.26 117.61 3i5j h ALA 172 Ca 0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3i5j h ALA 172 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3i5j h ALA 172 CO -0.02 0.19 -0.61 0.87 0.00 0.00 0.00 179.25 179.68 3i5j h LYS 173 N 0.62 0.24 -0.77 0.00 1.57 -0.58 -1.08 116.57 116.57 3i5j h LYS 173 Ca 0.16 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3i5j h LYS 173 Cb 0.15 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 3i5j h LYS 173 CO -0.02 0.78 0.39 1.25 -0.57 0.00 0.00 179.45 181.28 3i5j h HIS 174 N 0.18 1.08 0.18 -1.35 2.76 -0.19 0.17 115.15 117.98 3i5j h HIS 174 Ca -0.01 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 3i5j h HIS 174 Cb 1.12 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3i5j h HIS 174 CO 0.02 0.77 -0.09 0.35 -1.30 0.00 0.00 177.93 177.69 3i5j h PHE 175 N 1.09 -0.22 -0.20 5.26 3.57 -1.14 -2.63 116.94 122.66 3i5j h PHE 175 Ca 0.27 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.65 3i5j h PHE 175 Cb 0.08 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3i5j h PHE 175 CO 0.01 0.19 -0.36 0.74 -2.23 0.00 0.00 178.31 176.66 3i5j h PHE 176 N -0.76 0.50 0.00 0.41 0.04 -1.18 -0.16 116.94 115.78 3i5j h PHE 176 Ca -0.02 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.53 3i5j h PHE 176 Cb 0.52 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 3i5j h PHE 176 CO 0.07 0.73 -0.40 -0.44 -0.60 0.00 0.00 178.31 177.67 3i5j h ASP 177 N 0.36 0.00 0.02 2.17 3.32 -0.76 0.22 116.42 121.75 3i5j h ASP 177 Ca 0.04 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.84 3i5j h ASP 177 Cb 0.80 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.38 3i5j h ASP 177 CO 0.06 0.40 -0.99 -0.78 -1.72 0.00 0.00 179.24 176.22 3i5j h ASP 178 N 0.00 0.84 0.00 6.45 3.58 -0.97 0.33 116.42 126.65 3i5j h ASP 178 Ca -0.00 -0.76 0.00 0.00 0.42 0.00 0.00 57.03 56.69 3i5j h ASP 178 Cb 0.83 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.62 3i5j h ASP 178 CO 0.05 1.49 -1.60 2.30 -2.88 0.00 0.00 179.24 178.61 3i5j n ILE 179 N -3.92 0.00 -0.04 2.25 -5.35 -0.15 -4.40 119.36 107.76 3i5j n ILE 179 Ca -0.11 -0.33 -0.09 0.00 -0.27 0.00 0.00 62.75 61.95 3i5j n ILE 179 Cb 0.86 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 3i5j n ILE 179 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3i5j n ILE 180 N -1.96 0.93 0.49 7.28 5.41 0.73 -4.14 119.36 128.10 3i5j n ILE 180 Ca -0.01 0.03 0.08 0.00 1.00 0.00 0.00 62.75 63.84 3i5j n ILE 180 Cb 0.45 -1.76 -0.11 0.00 -0.71 0.00 0.00 39.64 37.51 3i5j n ILE 180 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3i5j n THR 181 N -3.68 0.00 -0.07 1.39 -2.24 -0.96 -3.98 114.28 104.74 3i5j n THR 181 Ca -0.16 -0.21 0.10 0.00 -2.27 0.00 0.00 64.05 61.50 3i5j n THR 181 Cb 0.48 0.67 0.22 0.00 -2.10 0.00 0.00 70.33 69.60 3i5j n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5j n GLY 182 N 1.44 2.16 3.26 3.38 0.00 0.12 -4.99 105.19 110.55 3i5j n GLY 182 Ca 0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3i5j n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5j s ARG 183 N -1.13 1.27 1.09 1.61 0.52 -1.26 -4.97 118.95 116.09 3i5j s ARG 183 Ca 0.36 -1.67 -0.12 0.00 -0.52 0.00 0.00 55.73 53.78 3i5j s ARG 183 Cb 0.20 -0.06 0.24 0.00 0.52 0.00 0.00 34.95 35.85 3i5j s ARG 183 CO 0.26 -0.30 1.06 0.16 0.02 0.00 0.00 175.30 176.50 3i5j s ASP 184 N -3.23 1.61 0.17 0.23 1.47 -1.25 -4.70 116.67 110.97 3i5j s ASP 184 Ca 0.35 1.56 -0.15 0.00 1.18 0.00 0.00 52.55 55.50 3i5j s ASP 184 Cb 0.07 -2.27 0.05 0.00 -0.34 0.00 0.00 42.92 40.44 3i5j s ASP 184 CO 0.11 -3.82 1.83 0.00 0.68 0.00 0.00 175.17 173.97 3i5j h ALA 185 N -2.36 0.62 -0.49 2.11 0.00 -0.36 -0.07 119.26 118.72 3i5j h ALA 185 Ca -0.57 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3i5j h ALA 185 Cb 1.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3i5j h ALA 185 CO 0.50 0.06 -0.19 0.82 0.00 0.00 0.00 179.25 180.44 3i5j h ILE 186 N 0.66 1.27 -0.55 0.00 1.08 -1.68 -0.06 117.51 118.22 3i5j h ILE 186 Ca 0.18 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.35 3i5j h ILE 186 Cb -0.07 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 3i5j h ILE 186 CO -0.04 0.47 0.29 0.28 -0.69 0.00 0.00 178.15 178.45 3i5j h SER 187 N 0.85 0.43 -0.41 1.72 0.02 -1.66 -1.71 113.55 112.79 3i5j h SER 187 Ca 0.12 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 3i5j h SER 187 Cb 0.76 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 3i5j h SER 187 CO 0.06 0.29 0.17 0.58 -1.14 0.00 0.00 176.83 176.80 3i5j h VAL 188 N 0.56 0.92 -0.70 2.27 2.07 -0.71 0.38 116.25 121.03 3i5j h VAL 188 Ca 0.24 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.77 3i5j h VAL 188 Cb 0.13 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 3i5j h VAL 188 CO -0.16 0.07 0.23 0.00 0.02 0.00 0.00 177.57 177.73 3i5j h ALA 189 N 1.24 0.93 0.13 1.67 0.00 -0.43 0.15 119.26 122.95 3i5j h ALA 189 Ca 0.18 0.12 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 3i5j h ALA 189 Cb 0.14 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i5j h ALA 189 CO -0.16 -0.25 -1.06 0.82 0.00 0.00 0.00 179.25 178.60 3i5j h ILE 190 N 0.37 1.31 0.23 0.00 2.04 -1.05 -1.69 117.51 118.71 3i5j h ILE 190 Ca 0.38 -2.48 -0.30 0.00 1.00 0.00 0.00 64.86 63.46 3i5j h ILE 190 Cb 0.58 2.99 0.04 0.00 -0.74 0.00 0.00 36.82 39.69 3i5j h ILE 190 CO -0.41 0.70 -1.31 0.24 0.00 0.00 0.00 178.15 177.38 3i5j h MET 191 N -0.35 0.49 0.00 2.37 2.86 -0.17 -0.95 114.93 119.17 3i5j h MET 191 Ca -0.21 -0.83 0.00 0.00 -2.06 0.00 0.00 59.70 56.60 3i5j h MET 191 Cb 1.69 0.31 0.00 0.00 0.06 0.00 0.00 31.60 33.65 3i5j h MET 191 CO 0.11 1.39 -0.22 1.25 1.06 0.00 0.00 176.91 180.50 3i5j h LEU 192 N 0.02 0.00 -0.10 1.22 5.85 -1.11 -1.67 115.31 119.52 3i5j h LEU 192 Ca -0.23 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.25 3i5j h LEU 192 Cb 2.03 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.08 3i5j h LEU 192 CO 0.25 0.48 -0.96 0.71 -0.34 0.00 0.00 178.44 178.57 3i5j h THR 193 N -0.74 1.32 0.01 1.05 1.35 -1.30 0.41 112.91 115.02 3i5j h THR 193 Ca 0.00 -2.27 -0.00 0.00 -0.55 0.00 0.00 66.41 63.59 3i5j h THR 193 Cb 0.22 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3i5j h THR 193 CO 0.00 0.70 -0.00 0.15 -0.25 0.00 0.00 175.52 176.11 3i5j h PHE 194 N 0.36 -0.01 0.41 4.73 3.57 -1.33 -3.15 116.94 121.52 3i5j h PHE 194 Ca -0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3i5j h PHE 194 Cb 1.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 3i5j h PHE 194 CO 0.08 -0.01 -0.20 0.77 -2.23 0.00 0.00 178.31 176.73 3i5j h SER 195 N -0.38 -0.47 -0.09 0.41 0.02 -1.22 -2.34 113.55 109.48 3i5j h SER 195 Ca -0.00 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 3i5j h SER 195 Cb 0.01 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3i5j h SER 195 CO 0.00 -0.17 -0.29 0.15 -1.14 0.00 0.00 176.83 175.38 3i5j h PHE 196 N -0.78 0.47 0.00 3.45 3.57 -0.99 -2.99 116.94 119.67 3i5j h PHE 196 Ca -0.06 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3i5j h PHE 196 Cb 0.53 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.19 3i5j h PHE 196 CO 0.00 0.90 -0.68 0.39 -2.23 0.00 0.00 178.31 176.69 3i5j n GLU 197 N -4.44 0.10 0.00 1.11 1.02 0.11 -1.34 120.64 117.20 3i5j n GLU 197 Ca -0.08 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.17 3i5j n GLU 197 Cb 0.47 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 3i5j n GLU 197 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3i5j n THR 198 N -1.69 0.00 0.00 2.62 -2.24 -0.88 -4.68 114.28 107.42 3i5j n THR 198 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3i5j n THR 198 Cb 0.37 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3i5j n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5j n GLY 199 N 1.42 -0.26 0.09 3.38 0.00 -1.13 -4.67 105.19 104.01 3i5j n GLY 199 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 3i5j n GLY 199 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i5j h PHE 200 N 0.00 0.00 0.00 1.61 0.04 -1.36 -3.23 116.94 114.00 3i5j h PHE 200 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 3i5j h PHE 200 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3i5j h PHE 200 CO 0.00 0.80 -0.16 1.79 -0.60 0.00 0.00 178.31 180.14 3i5j h THR 201 N 0.00 0.62 -0.42 -1.55 1.35 -1.64 -0.85 112.91 110.43 3i5j h THR 201 Ca -0.08 -0.71 0.06 0.00 -0.55 0.00 0.00 66.41 65.13 3i5j h THR 201 Cb 1.68 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 69.53 3i5j h THR 201 CO 0.09 0.16 0.28 0.78 -0.25 0.00 0.00 175.52 176.58 3i5j h ASN 202 N 0.00 0.27 0.16 5.36 2.35 -1.84 0.02 115.58 121.90 3i5j h ASN 202 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3i5j h ASN 202 Cb 0.44 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3i5j h ASN 202 CO 0.02 0.18 -0.08 0.24 -1.65 0.00 0.00 177.43 176.14 3i5j h MET 203 N 0.31 -0.21 -0.10 0.81 2.86 -1.33 0.14 114.93 117.40 3i5j h MET 203 Ca 0.19 0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.66 3i5j h MET 203 Cb 0.34 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3i5j h MET 203 CO -0.04 -0.03 -0.70 0.37 1.06 0.00 0.00 176.91 177.57 3i5j h GLN 204 N -0.35 0.44 -0.00 1.72 5.75 -1.46 -2.16 115.11 119.05 3i5j h GLN 204 Ca -0.02 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.13 3i5j h GLN 204 Cb 0.28 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3i5j h GLN 204 CO 0.04 0.97 -0.85 1.19 -2.65 0.00 0.00 178.83 177.53 3i5j n PHE 205 N -3.86 0.00 0.00 3.99 3.01 -0.03 -3.70 117.46 116.86 3i5j n PHE 205 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3i5j n PHE 205 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 3i5j n PHE 205 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i5j n LEU 206 N -1.30 1.35 -0.11 4.37 4.77 0.39 -3.78 117.00 122.69 3i5j n LEU 206 Ca 0.04 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 3i5j n LEU 206 Cb 0.31 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3i5j n LEU 206 CO 0.37 0.19 0.97 1.23 -1.33 0.00 0.00 177.39 178.83 3i5j h GLY 207 N 0.00 0.48 1.74 -0.72 0.00 -0.88 -1.78 103.07 101.91 3i5j h GLY 207 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3i5j h GLY 207 CO 0.00 0.08 -0.28 -2.00 0.00 0.00 0.00 176.54 174.34 3i5j h LEU 208 N 0.35 0.31 -1.15 3.11 6.46 -1.48 -2.39 115.31 120.51 3i5j h LEU 208 Ca 0.16 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3i5j h LEU 208 Cb 0.08 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 3i5j h LEU 208 CO -0.12 0.59 0.58 0.00 -0.62 0.00 0.00 178.44 178.86 3i5j h ALA 209 N 1.44 1.39 -0.49 1.25 0.00 -1.62 0.28 119.26 121.51 3i5j h ALA 209 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3i5j h ALA 209 Cb 0.64 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3i5j h ALA 209 CO 0.05 0.56 0.21 0.00 0.00 0.00 0.00 179.25 180.06 3i5j h ALA 210 N 1.46 0.64 -0.66 0.00 0.00 -0.83 0.18 119.26 120.05 3i5j h ALA 210 Ca 0.32 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3i5j h ALA 210 Cb -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3i5j h ALA 210 CO -0.07 0.24 0.17 -0.44 0.00 0.00 0.00 179.25 179.14 3i5j h ASP 211 N 0.65 1.00 -0.70 0.00 3.32 -1.16 -1.39 116.42 118.14 3i5j h ASP 211 Ca 0.17 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.99 3i5j h ASP 211 Cb 0.18 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3i5j h ASP 211 CO -0.02 0.96 0.46 0.00 -1.72 0.00 0.00 179.24 178.93 3i5j h ALA 212 N 1.07 0.89 -0.62 3.45 0.00 -0.47 0.21 119.26 123.79 3i5j h ALA 212 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i5j h ALA 212 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3i5j h ALA 212 CO 0.00 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.80 3i5j h ALA 213 N 1.26 0.81 -0.49 0.00 0.00 -0.54 0.49 119.26 120.80 3i5j h ALA 213 Ca 0.26 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i5j h ALA 213 Cb -0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3i5j h ALA 213 CO -0.06 0.45 0.15 0.93 0.00 0.00 0.00 179.25 180.72 3i5j h GLU 214 N 0.88 0.72 0.00 0.00 4.39 -0.82 -1.64 114.58 118.10 3i5j h GLU 214 Ca 0.21 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3i5j h GLU 214 Cb 0.23 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3i5j h GLU 214 CO -0.01 0.62 0.00 0.00 -1.16 0.00 0.00 179.01 178.46 3i5j n ALA 215 N -2.46 2.29 -0.94 3.43 0.00 0.03 -4.87 120.51 117.99 3i5j n ALA 215 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3i5j n ALA 215 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3i5j n ALA 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5j n GLY 216 N 0.79 0.46 3.31 0.00 0.00 -0.27 -4.97 105.19 104.51 3i5j n GLY 216 Ca 0.13 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.10 3i5j n GLY 216 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i5j n ASP 217 N 1.10 5.61 0.15 1.61 -0.08 0.00 -4.87 116.55 120.08 3i5j n ASP 217 Ca 0.00 -3.08 0.02 0.00 -1.51 0.00 0.00 54.79 50.22 3i5j n ASP 217 Cb 0.00 -1.38 0.19 0.00 2.34 0.00 0.00 41.12 42.27 3i5j n ASP 217 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3i5j h TYR 218 N 6.52 0.00 -0.19 -0.67 0.05 -1.91 -2.20 116.97 118.58 3i5j h TYR 218 Ca 0.19 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.02 3i5j h TYR 218 Cb 0.84 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.53 3i5j h TYR 218 CO 0.80 0.53 -0.16 1.15 -1.05 0.00 0.00 178.16 179.43 3i5j h THR 219 N 0.00 0.56 -0.03 -2.88 2.02 -1.89 0.93 112.91 111.62 3i5j h THR 219 Ca -0.01 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3i5j h THR 219 Cb 1.13 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3i5j h THR 219 CO 0.07 0.00 -0.04 0.15 0.37 0.00 0.00 175.52 176.07 3i5j h PHE 220 N -0.18 0.09 -0.75 3.16 3.57 -1.94 -1.67 116.94 119.23 3i5j h PHE 220 Ca 0.11 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.68 3i5j h PHE 220 Cb 0.35 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 3i5j h PHE 220 CO -0.30 0.58 0.39 0.00 -2.23 0.00 0.00 178.31 176.75 3i5j h ALA 221 N 0.49 1.04 -0.56 2.41 0.00 -1.35 -1.30 119.26 120.00 3i5j h ALA 221 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3i5j h ALA 221 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3i5j h ALA 221 CO 0.01 0.00 -0.05 -0.97 0.00 0.00 0.00 179.25 178.24 3i5j h ASN 222 N 0.66 0.99 0.69 0.00 -1.24 -0.84 -2.38 115.58 113.46 3i5j h ASN 222 Ca 0.36 -0.30 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 3i5j h ASN 222 Cb 0.36 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.15 3i5j h ASN 222 CO -0.26 1.07 -0.36 0.25 -1.29 0.00 0.00 177.43 176.84 3i5j h LEU 223 N 0.91 -0.88 -0.58 0.34 5.85 -0.86 -2.04 115.31 118.05 3i5j h LEU 223 Ca 0.15 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3i5j h LEU 223 Cb 0.60 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3i5j h LEU 223 CO 0.04 -0.59 -0.71 0.16 -0.34 0.00 0.00 178.44 177.00 3i5j h ILE 224 N -0.97 1.49 -0.18 4.05 3.07 -1.24 -0.60 117.51 123.12 3i5j h ILE 224 Ca -0.09 -2.37 -0.15 0.00 1.55 0.00 0.00 64.86 63.80 3i5j h ILE 224 Cb 0.76 2.28 -0.01 0.00 -0.27 0.00 0.00 36.82 39.58 3i5j h ILE 224 CO 0.13 0.68 -0.50 0.77 -1.05 0.00 0.00 178.15 178.18 3i5j h SER 225 N 0.03 0.55 -0.56 2.16 4.64 -1.49 -2.36 113.55 116.51 3i5j h SER 225 Ca -0.01 -0.28 0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3i5j h SER 225 Cb 1.25 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 3i5j h SER 225 CO 0.10 0.96 0.37 -1.28 -0.87 0.00 0.00 176.83 176.11 3i5j h SER 226 N 0.40 0.64 -0.91 4.97 0.87 -0.86 -2.69 113.55 115.98 3i5j h SER 226 Ca 0.02 -0.02 0.13 0.00 -1.23 0.00 0.00 61.79 60.69 3i5j h SER 226 Cb 1.02 -0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.73 3i5j h SER 226 CO 0.09 0.47 0.53 0.40 -0.53 0.00 0.00 176.83 177.79 3i5j h ILE 227 N 0.76 0.83 0.00 2.23 2.04 -1.02 -2.39 117.51 119.96 3i5j h ILE 227 Ca 0.21 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3i5j h ILE 227 Cb -0.09 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 35.95 3i5j h ILE 227 CO -0.05 0.15 -0.04 -0.61 0.00 0.00 0.00 178.15 177.60 3i5j h GLN 228 N 0.80 0.00 -0.36 2.37 5.75 -1.10 -1.99 115.11 120.58 3i5j h GLN 228 Ca 0.47 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.91 3i5j h GLN 228 Cb 0.55 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 3i5j h GLN 228 CO -0.30 0.04 -0.04 1.79 -2.65 0.00 0.00 178.83 177.67 3i5j h THR 229 N 0.00 1.22 -0.08 2.39 1.35 -1.19 -1.05 112.91 115.55 3i5j h THR 229 Ca -0.00 -0.91 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3i5j h THR 229 Cb 0.60 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3i5j h THR 229 CO 0.01 0.31 -0.01 0.44 -0.25 0.00 0.00 175.52 176.02 3i5j h ASP 230 N 0.55 0.14 -0.62 5.36 3.32 -1.44 -3.23 116.42 120.51 3i5j h ASP 230 Ca 0.11 -0.34 0.12 0.00 0.02 0.00 0.00 57.03 56.93 3i5j h ASP 230 Cb 0.41 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.83 3i5j h ASP 230 CO 0.02 0.45 0.15 -0.08 -1.72 0.00 0.00 179.24 178.06 3i5j h GLU 231 N -0.17 0.28 -0.54 3.56 4.57 -1.32 -0.00 114.58 120.96 3i5j h GLU 231 Ca 0.02 -0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 3i5j h GLU 231 Cb 0.38 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.88 3i5j h GLU 231 CO 0.01 0.18 0.37 0.77 -1.18 0.00 0.00 179.01 179.16 3i5j h SER 232 N 0.29 0.14 0.04 1.04 0.02 -1.22 0.44 113.55 114.29 3i5j h SER 232 Ca 0.33 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3i5j h SER 232 Cb 0.49 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3i5j h SER 232 CO -0.40 0.08 -0.02 -0.09 -1.14 0.00 0.00 176.83 175.26 3i5j h ARG 233 N 0.15 -0.05 0.00 3.45 2.43 -1.35 -3.37 114.38 115.63 3i5j h ARG 233 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3i5j h ARG 233 Cb 0.81 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 3i5j h ARG 233 CO -0.04 0.38 0.00 1.12 -1.51 0.00 0.00 179.97 179.92 3i5j h HIS 234 N -0.98 0.00 0.00 2.20 2.07 -0.64 -1.85 115.15 115.95 3i5j h HIS 234 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 3i5j h HIS 234 Cb 0.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.44 3i5j h HIS 234 CO 0.11 0.00 -0.01 0.00 -3.07 0.00 0.00 177.93 174.97 3i5j h ALA 235 N 2.29 1.02 0.00 6.11 0.00 -0.32 -2.76 119.26 125.60 3i5j h ALA 235 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i5j h ALA 235 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i5j h ALA 235 CO 0.00 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.30 3i5j n GLN 236 N -3.12 0.84 0.20 0.00 1.13 -0.70 -2.72 117.38 113.02 3i5j n GLN 236 Ca -0.02 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.14 3i5j n GLN 236 Cb 0.16 -1.16 0.16 0.00 0.11 0.00 0.00 30.24 29.51 3i5j n GLN 236 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 3i5j h GLN 237 N 0.06 0.00 0.17 -1.09 4.20 -1.70 -3.39 115.11 113.36 3i5j h GLN 237 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 3i5j h GLN 237 Cb 0.16 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.96 3i5j h GLN 237 CO 0.00 0.12 -1.36 0.78 -0.67 0.00 0.00 178.83 177.70 3i5j h GLY 238 N 3.80 0.42 0.07 3.46 0.00 -1.67 -3.26 103.07 105.90 3i5j h GLY 238 Ca -0.00 -1.08 0.06 0.00 0.00 0.00 0.00 47.33 46.31 3i5j h GLY 238 CO 0.02 0.94 -0.29 -1.33 0.00 0.00 0.00 176.54 175.88 3i5j h GLY 239 N 0.11 -0.28 2.00 4.60 0.00 -1.78 0.38 103.07 108.10 3i5j h GLY 239 Ca -0.26 0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 3i5j h GLY 239 CO 0.16 -0.21 -0.25 -0.56 0.00 0.00 0.00 176.54 175.68 3i5j h PRO 240 N -0.30 0.00 -0.20 4.80 0.13 -1.79 0.36 132.00 135.00 3i5j h PRO 240 Ca 0.13 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 3i5j h PRO 240 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3i5j h PRO 240 CO -0.41 0.25 -0.36 0.00 -0.23 0.00 0.00 178.00 177.25 3i5j h ALA 241 N 1.75 0.31 -0.40 -0.56 0.00 -1.39 -2.07 119.26 116.91 3i5j h ALA 241 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3i5j h ALA 241 Cb 0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3i5j h ALA 241 CO 0.03 0.38 0.21 1.25 0.00 0.00 0.00 179.25 181.12 3i5j h LEU 242 N 0.27 0.31 -0.45 0.00 5.85 -0.34 -1.23 115.31 119.72 3i5j h LEU 242 Ca 0.01 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3i5j h LEU 242 Cb 0.95 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3i5j h LEU 242 CO 0.08 0.23 0.29 1.56 -0.34 0.00 0.00 178.44 180.26 3i5j h GLN 243 N 0.42 0.58 -0.41 1.25 4.20 -0.92 -0.51 115.11 119.72 3i5j h GLN 243 Ca 0.16 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.85 3i5j h GLN 243 Cb 0.06 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3i5j h GLN 243 CO -0.10 0.38 0.27 1.25 -0.67 0.00 0.00 178.83 179.96 3i5j h LEU 244 N 0.60 0.46 -0.70 1.46 6.46 -1.11 0.13 115.31 122.60 3i5j h LEU 244 Ca 0.17 -0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3i5j h LEU 244 Cb -0.06 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.72 3i5j h LEU 244 CO -0.04 0.33 0.43 -0.07 -0.62 0.00 0.00 178.44 178.47 3i5j h LEU 245 N 0.54 0.70 -0.62 2.25 3.38 -0.94 -0.87 115.31 119.76 3i5j h LEU 245 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3i5j h LEU 245 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3i5j h LEU 245 CO -0.04 0.48 -0.03 0.40 0.09 0.00 0.00 178.44 179.33 3i5j h ILE 246 N 0.84 1.27 0.00 1.22 2.04 -0.75 -0.16 117.51 121.96 3i5j h ILE 246 Ca 0.29 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3i5j h ILE 246 Cb 0.05 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3i5j h ILE 246 CO -0.12 0.43 -0.17 -0.33 0.00 0.00 0.00 178.15 177.96 3i5j h GLU 247 N 0.95 0.00 -0.82 2.37 5.08 -0.59 -2.94 114.58 118.63 3i5j h GLU 247 Ca 0.16 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.09 3i5j h GLU 247 Cb 0.59 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.59 3i5j h GLU 247 CO 0.04 0.17 0.45 0.09 -1.00 0.00 0.00 179.01 178.75 3i5j n ASN 248 N -3.68 3.64 0.00 1.42 4.13 -0.37 -4.94 115.26 115.46 3i5j n ASN 248 Ca -0.01 -3.68 0.00 0.00 1.68 0.00 0.00 54.58 52.57 3i5j n ASN 248 Cb 0.29 -0.79 0.00 0.00 -1.54 0.00 0.00 39.78 37.74 3i5j n ASN 248 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i5j n GLY 249 N -1.12 0.59 0.96 7.41 0.00 -1.11 -4.93 105.19 106.98 3i5j n GLY 249 Ca 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 3i5j n GLY 249 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5j n LYS 250 N -2.79 1.86 -0.22 1.61 4.76 -0.11 -4.71 118.16 118.56 3i5j n LYS 250 Ca 0.00 -3.14 -0.03 0.00 -2.87 0.00 0.00 58.31 52.27 3i5j n LYS 250 Cb 0.00 -1.76 0.08 0.00 -1.84 0.00 0.00 35.03 31.50 3i5j n LYS 250 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3i5j h ARG 251 N 1.02 0.69 -0.51 1.97 2.43 -1.81 -0.86 114.38 117.30 3i5j h ARG 251 Ca 0.14 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3i5j h ARG 251 Cb 1.47 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3i5j h ARG 251 CO 0.27 0.46 0.24 0.93 -1.51 0.00 0.00 179.97 180.36 3i5j h GLU 252 N 0.71 0.75 -0.64 0.20 3.07 -1.95 -0.28 114.58 116.44 3i5j h GLU 252 Ca 0.27 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.36 58.98 3i5j h GLU 252 Cb 0.10 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 3i5j h GLU 252 CO -0.14 0.63 0.27 0.93 -1.40 0.00 0.00 179.01 179.30 3i5j h GLU 253 N 0.69 0.95 -0.02 2.33 3.07 -1.87 -1.27 114.58 118.45 3i5j h GLU 253 Ca 0.17 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 3i5j h GLU 253 Cb 0.14 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 3i5j h GLU 253 CO -0.02 0.78 -0.07 0.00 -1.40 0.00 0.00 179.01 178.31 3i5j h ALA 254 N 1.11 -0.05 -0.62 3.43 0.00 -0.77 -2.22 119.26 120.15 3i5j h ALA 254 Ca 0.22 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i5j h ALA 254 Cb 0.18 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3i5j h ALA 254 CO -0.02 -0.55 0.30 0.37 0.00 0.00 0.00 179.25 179.35 3i5j h GLN 255 N -0.11 0.54 -0.67 0.00 5.75 -0.91 -1.41 115.11 118.29 3i5j h GLN 255 Ca 0.03 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3i5j h GLN 255 Cb 0.15 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3i5j h GLN 255 CO -0.08 0.35 0.27 0.87 -2.65 0.00 0.00 178.83 177.60 3i5j h LYS 256 N 0.55 1.00 -0.42 1.69 1.57 -1.14 -0.81 116.57 119.02 3i5j h LYS 256 Ca 0.29 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3i5j h LYS 256 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3i5j h LYS 256 CO -0.22 0.83 0.17 0.87 -0.57 0.00 0.00 179.45 180.53 3i5j h LYS 257 N 0.95 0.63 0.03 3.15 1.57 -1.08 -1.98 116.57 119.85 3i5j h LYS 257 Ca 0.22 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3i5j h LYS 257 Cb 0.20 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3i5j h LYS 257 CO -0.02 0.58 -0.03 0.28 -0.57 0.00 0.00 179.45 179.69 3i5j h VAL 258 N 0.54 0.93 -0.45 0.50 2.07 -1.11 -1.38 116.25 117.34 3i5j h VAL 258 Ca 0.14 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.73 3i5j h VAL 258 Cb 0.19 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 3i5j h VAL 258 CO -0.01 0.00 0.10 0.44 0.02 0.00 0.00 177.57 178.12 3i5j h ASP 259 N -0.07 0.03 -0.16 0.57 3.32 -1.12 -1.36 116.42 117.64 3i5j h ASP 259 Ca 0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3i5j h ASP 259 Cb 0.07 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3i5j h ASP 259 CO -0.01 0.05 0.06 -0.03 -1.72 0.00 0.00 179.24 177.59 3i5j h MET 260 N 0.24 0.25 -0.70 3.56 1.85 -1.31 -2.70 114.93 116.12 3i5j h MET 260 Ca 0.22 -0.05 -0.05 0.00 -0.61 0.00 0.00 59.70 59.21 3i5j h MET 260 Cb 0.27 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 3i5j h MET 260 CO -0.28 0.35 0.22 0.00 -0.40 0.00 0.00 176.91 176.80 3i5j h ALA 261 N 0.88 1.07 0.31 0.39 0.00 -0.92 -1.51 119.26 119.49 3i5j h ALA 261 Ca 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3i5j h ALA 261 Cb 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i5j h ALA 261 CO -0.00 0.63 -0.15 0.82 0.00 0.00 0.00 179.25 180.55 3i5j h ILE 262 N 1.04 0.72 -0.30 0.00 2.04 -1.28 -1.47 117.51 118.24 3i5j h ILE 262 Ca 0.23 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3i5j h ILE 262 Cb 0.28 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3i5j h ILE 262 CO -0.01 0.04 0.08 -0.25 0.00 0.00 0.00 178.15 178.02 3i5j h TRP 263 N -0.52 0.15 -0.94 1.37 2.91 -1.32 0.22 115.95 117.81 3i5j h TRP 263 Ca -0.04 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.02 3i5j h TRP 263 Cb 0.39 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 28.97 3i5j h TRP 263 CO -0.03 0.05 0.62 0.00 -1.03 0.00 0.00 178.44 178.06 3i5j h ARG 264 N 0.21 1.18 -0.51 2.65 3.08 -1.21 -2.35 114.38 117.43 3i5j h ARG 264 Ca 0.14 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.00 3i5j h ARG 264 Cb 0.13 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3i5j h ARG 264 CO -0.16 0.78 -0.14 0.00 -1.07 0.00 0.00 179.97 179.38 3i5j h ALA 265 N 1.44 0.70 -0.36 0.04 0.00 -0.87 -3.10 119.26 117.11 3i5j h ALA 265 Ca 0.36 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i5j h ALA 265 Cb -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3i5j h ALA 265 CO -0.10 0.64 0.22 2.35 0.00 0.00 0.00 179.25 182.36 3i5j h TRP 266 N 0.85 0.42 -0.60 0.00 -0.00 -0.46 -0.77 115.95 115.40 3i5j h TRP 266 Ca 0.13 0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.95 3i5j h TRP 266 Cb 0.71 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.71 3i5j h TRP 266 CO 0.05 0.26 0.06 0.00 -0.00 0.00 0.00 178.44 178.81 3i5j h ARG 267 N 0.45 1.01 -0.33 2.65 2.47 -1.44 0.13 114.38 119.32 3i5j h ARG 267 Ca 0.14 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 3i5j h ARG 267 Cb -0.03 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 3i5j h ARG 267 CO -0.05 0.97 -0.05 1.25 0.56 0.00 0.00 179.97 182.65 3i5j h LEU 268 N 0.91 0.62 -1.39 3.04 5.85 -1.44 -2.83 115.31 120.08 3i5j h LEU 268 Ca 0.18 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3i5j h LEU 268 Cb 0.47 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3i5j h LEU 268 CO 0.02 0.82 -0.10 -0.26 -0.34 0.00 0.00 178.44 178.58 3i5j h PHE 269 N 0.41 0.29 0.00 1.25 -1.00 -0.94 -2.16 116.94 114.79 3i5j h PHE 269 Ca 0.09 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.79 3i5j h PHE 269 Cb 0.53 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 3i5j h PHE 269 CO 0.05 0.39 -0.25 0.00 -1.61 0.00 0.00 178.31 176.88 3i5j h ALA 270 N 1.63 1.59 0.00 2.45 0.00 -0.67 0.11 119.26 124.37 3i5j h ALA 270 Ca 0.06 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3i5j h ALA 270 Cb 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3i5j h ALA 270 CO 0.02 0.31 -1.32 -0.24 0.00 0.00 0.00 179.25 178.02 3i5j h VAL 271 N 0.00 0.60 0.00 0.00 3.04 -1.19 -3.28 116.25 115.42 3i5j h VAL 271 Ca -0.00 -2.11 -0.33 0.00 -1.01 0.00 0.00 66.70 63.25 3i5j h VAL 271 Cb 0.44 2.13 -0.05 0.00 -2.01 0.00 0.00 31.29 31.80 3i5j h VAL 271 CO 0.03 0.34 -1.91 0.18 -1.01 0.00 0.00 177.57 175.20 3i5j n LEU 272 N -2.95 1.92 0.13 3.16 4.77 -0.86 -4.52 117.00 118.65 3i5j n LEU 272 Ca -0.09 0.38 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 3i5j n LEU 272 Cb 0.85 -0.86 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 3i5j n LEU 272 CO 0.43 0.35 -0.26 0.74 -1.33 0.00 0.00 177.39 177.32 3i5j h THR 273 N -1.00 1.25 -0.28 -5.08 2.02 -1.04 -3.30 112.91 105.48 3i5j h THR 273 Ca -0.50 -2.72 0.07 0.00 0.77 0.00 0.00 66.41 64.03 3i5j h THR 273 Cb 1.41 2.98 -0.08 0.00 -1.74 0.00 0.00 68.15 70.72 3i5j h THR 273 CO -0.30 0.83 -0.28 1.23 0.37 0.00 0.00 175.52 177.36 3i5j h GLY 274 N 0.49 -0.23 1.99 2.16 0.00 -1.45 -1.75 103.07 104.27 3i5j h GLY 274 Ca -0.26 0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 3i5j h GLY 274 CO 0.25 -0.21 -0.28 -2.55 0.00 0.00 0.00 176.54 173.76 3i5j h PRO 275 N -0.27 0.02 -0.36 4.80 0.11 -1.74 -1.78 132.00 132.77 3i5j h PRO 275 Ca 0.15 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3i5j h PRO 275 Cb 0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3i5j h PRO 275 CO -0.44 0.29 0.07 0.28 -0.21 0.00 0.00 178.00 177.99 3i5j h VAL 276 N 0.02 1.23 0.05 3.15 2.07 -1.49 0.42 116.25 121.69 3i5j h VAL 276 Ca 0.00 -0.82 -0.24 0.00 0.82 0.00 0.00 66.70 66.46 3i5j h VAL 276 Cb 0.50 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3i5j h VAL 276 CO 0.04 0.28 -1.14 0.24 0.02 0.00 0.00 177.57 177.00 3i5j h MET 277 N 0.43 0.10 -0.00 1.57 2.86 -0.81 -0.33 114.93 118.74 3i5j h MET 277 Ca 0.11 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3i5j h MET 277 Cb 0.34 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.06 3i5j h MET 277 CO 0.01 1.04 -0.62 -0.25 1.06 0.00 0.00 176.91 178.15 3i5j n ASP 278 N -3.39 0.94 0.00 1.22 9.92 -0.72 -4.66 116.55 119.85 3i5j n ASP 278 Ca -0.04 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.25 3i5j n ASP 278 Cb 0.98 0.87 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 3i5j n ASP 278 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3i5j n TYR 279 N -1.05 0.00 0.05 1.24 4.01 -0.03 -4.93 117.16 116.44 3i5j n TYR 279 Ca 0.04 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 3i5j n TYR 279 Cb 0.26 0.20 -0.12 0.00 -0.31 0.00 0.00 39.34 39.37 3i5j n TYR 279 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3i5j h TYR 280 N 0.00 0.83 -2.55 -0.72 0.99 -0.86 -3.40 116.97 111.26 3i5j h TYR 280 Ca 0.00 -0.50 -0.52 0.00 2.00 0.00 0.00 58.73 59.70 3i5j h TYR 280 Cb 0.19 -0.07 0.04 0.00 1.00 0.00 0.00 36.73 37.88 3i5j h TYR 280 CO 0.00 1.35 1.10 0.99 -0.00 0.00 0.00 178.16 181.59 3i5j s THR 281 N -3.02 2.47 0.43 -2.88 2.01 -0.16 -3.81 115.64 110.69 3i5j s THR 281 Ca -0.11 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.69 3i5j s THR 281 Cb 0.04 -3.03 -0.10 0.00 0.01 0.00 0.00 72.50 69.42 3i5j s THR 281 CO 0.88 0.00 1.04 -2.65 -0.69 0.00 0.00 174.62 173.20 3i5j n PRO 282 N 5.44 1.38 -0.23 4.92 -0.02 -1.26 -4.81 135.00 140.41 3i5j n PRO 282 Ca 0.17 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3i5j n PRO 282 Cb 0.38 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3i5j n PRO 282 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i5j h LEU 283 N 1.53 -0.80 0.00 2.45 5.85 -1.91 0.44 115.31 122.88 3i5j h LEU 283 Ca -0.45 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3i5j h LEU 283 Cb 1.33 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3i5j h LEU 283 CO 0.57 -0.25 0.00 -1.84 -0.34 0.00 0.00 178.44 176.57 3i5j n GLU 284 N -5.46 0.83 -0.10 1.25 0.00 -1.26 -1.84 120.64 114.05 3i5j n GLU 284 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.32 3i5j n GLU 284 Cb 0.36 -1.42 0.13 0.00 0.00 0.00 0.00 31.44 30.51 3i5j n GLU 284 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3i5j n ASP 285 N -0.92 2.77 -4.53 -1.84 10.43 0.15 -4.91 116.55 117.70 3i5j n ASP 285 Ca 0.17 -1.81 -0.42 0.00 2.57 0.00 0.00 54.79 55.30 3i5j n ASP 285 Cb 0.08 -0.14 -0.03 0.00 1.84 0.00 0.00 41.12 42.87 3i5j n ASP 285 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 3i5j s ARG 286 N -1.23 3.27 0.17 -1.24 0.52 -0.77 -4.49 118.95 115.18 3i5j s ARG 286 Ca 0.25 -0.62 -0.14 0.00 -0.52 0.00 0.00 55.73 54.70 3i5j s ARG 286 Cb 0.15 -4.45 0.09 0.00 0.52 0.00 0.00 34.95 31.27 3i5j s ARG 286 CO 0.22 -2.07 1.78 1.03 0.02 0.00 0.00 175.30 176.28 3i5j h SER 287 N 9.82 0.32 -5.31 0.23 0.87 -1.89 -3.44 113.55 114.14 3i5j h SER 287 Ca -0.17 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.29 3i5j h SER 287 Cb 1.05 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.84 3i5j h SER 287 CO 1.28 0.23 -0.39 -1.10 -0.53 0.00 0.00 176.83 176.31 3i5j s GLN 288 N -6.14 1.14 0.85 2.24 -0.21 -1.26 -5.13 119.66 111.14 3i5j s GLN 288 Ca -0.13 -1.25 -0.11 0.00 0.02 0.00 0.00 55.36 53.88 3i5j s GLN 288 Cb 0.13 0.35 0.10 0.00 1.00 0.00 0.00 33.01 34.59 3i5j s GLN 288 CO 0.73 -0.40 1.09 -1.54 -2.12 0.00 0.00 175.29 173.05 3i5j s SER 289 N -3.00 3.90 0.21 5.90 1.04 -1.26 -4.81 113.70 115.68 3i5j s SER 289 Ca 0.20 1.58 -0.10 0.00 0.48 0.00 0.00 55.95 58.12 3i5j s SER 289 Cb 0.04 -2.28 0.29 0.00 0.10 0.00 0.00 66.02 64.17 3i5j s SER 289 CO 0.02 -2.38 1.72 0.15 0.98 0.00 0.00 173.24 173.72 3i5j h PHE 290 N -1.37 0.30 -0.48 5.02 3.57 -1.89 0.22 116.94 122.31 3i5j h PHE 290 Ca -0.47 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 3i5j h PHE 290 Cb 1.26 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3i5j h PHE 290 CO 0.48 0.03 0.11 -0.22 -2.23 0.00 0.00 178.31 176.48 3i5j h LYS 291 N 0.33 0.77 -0.31 1.11 3.64 -1.92 -0.69 116.57 119.50 3i5j h LYS 291 Ca 0.31 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3i5j h LYS 291 Cb 0.43 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3i5j h LYS 291 CO -0.35 0.76 0.10 0.93 -2.27 0.00 0.00 179.45 178.62 3i5j h GLU 292 N 0.65 0.23 -0.89 1.90 5.08 -1.80 0.25 114.58 120.00 3i5j h GLU 292 Ca 0.15 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3i5j h GLU 292 Cb 0.34 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3i5j h GLU 292 CO 0.00 0.15 0.59 0.74 -1.00 0.00 0.00 179.01 179.49 3i5j h PHE 293 N 0.24 1.09 -0.27 4.33 0.05 -0.76 -1.77 116.94 119.84 3i5j h PHE 293 Ca 0.14 0.03 -0.13 0.00 3.82 0.00 0.00 57.97 61.82 3i5j h PHE 293 Cb 0.11 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.68 3i5j h PHE 293 CO -0.14 0.65 -0.37 0.52 -0.18 0.00 0.00 178.31 178.79 3i5j h MET 294 N 1.14 0.62 -0.05 1.51 2.86 -0.13 0.44 114.93 121.32 3i5j h MET 294 Ca 0.34 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3i5j h MET 294 Cb -0.03 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3i5j h MET 294 CO -0.10 0.89 -0.35 1.88 1.06 0.00 0.00 176.91 180.30 3i5j h TYR 295 N 0.52 0.11 0.22 -0.22 0.05 -0.62 0.21 116.97 117.24 3i5j h TYR 295 Ca 0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3i5j h TYR 295 Cb 0.88 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.59 3i5j h TYR 295 CO 0.04 0.44 -0.10 1.49 -1.05 0.00 0.00 178.16 178.97 3i5j h GLU 296 N 0.08 -0.28 0.08 4.88 4.81 -1.00 0.11 114.58 123.27 3i5j h GLU 296 Ca 0.01 0.02 -0.33 0.00 -0.13 0.00 0.00 59.36 58.93 3i5j h GLU 296 Cb 0.67 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3i5j h GLU 296 CO 0.05 0.07 -1.78 0.91 -0.73 0.00 0.00 179.01 177.53 3i5j n TRP 297 N -5.05 1.15 -0.09 0.92 7.02 0.12 -1.77 117.44 119.75 3i5j n TRP 297 Ca -0.09 0.31 -0.23 0.00 -1.02 0.00 0.00 57.50 56.48 3i5j n TRP 297 Cb 0.25 -1.14 -0.12 0.00 -2.42 0.00 0.00 31.31 27.88 3i5j n TRP 297 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3i5j n ILE 298 N -3.80 1.59 0.01 -0.99 2.08 0.61 -0.84 119.36 118.02 3i5j n ILE 298 Ca -0.33 -0.30 -0.07 0.00 0.56 0.00 0.00 62.75 62.61 3i5j n ILE 298 Cb 0.93 -1.88 -0.05 0.00 -0.75 0.00 0.00 39.64 37.89 3i5j n ILE 298 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3i5j h ILE 299 N -0.64 0.59 -0.41 1.39 2.04 -1.28 0.68 117.51 119.89 3i5j h ILE 299 Ca -0.46 -1.24 -0.15 0.00 1.00 0.00 0.00 64.86 64.00 3i5j h ILE 299 Cb 1.60 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3i5j h ILE 299 CO -0.17 0.18 -0.35 1.23 0.00 0.00 0.00 178.15 179.05 3i5j h GLY 300 N -0.98 1.04 0.00 5.37 0.00 -0.81 -3.20 103.07 104.49 3i5j h GLY 300 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 47.33 46.28 3i5j h GLY 300 CO 0.02 0.93 -0.61 -0.18 0.00 0.00 0.00 176.54 176.70 3i5j n GLN 301 N -4.07 0.40 0.17 4.80 7.27 -0.73 -4.19 117.38 121.02 3i5j n GLN 301 Ca -0.02 0.32 -0.14 0.00 0.07 0.00 0.00 57.00 57.23 3i5j n GLN 301 Cb 0.53 -1.38 -0.08 0.00 2.41 0.00 0.00 30.24 31.72 3i5j n GLN 301 CO 0.00 0.00 0.00 0.35 0.07 0.00 0.00 177.06 177.48 3i5j h PHE 302 N -0.81 -0.36 -0.93 3.69 3.57 -0.95 -2.16 116.94 118.99 3i5j h PHE 302 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 3i5j h PHE 302 Cb 0.61 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 3i5j h PHE 302 CO -0.26 -0.16 0.58 0.93 -2.23 0.00 0.00 178.31 177.16 3i5j h GLU 303 N -0.48 1.25 -0.66 1.11 4.39 -0.85 -0.24 114.58 119.09 3i5j h GLU 303 Ca -0.04 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3i5j h GLU 303 Cb 0.36 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 3i5j h GLU 303 CO 0.07 0.86 0.38 -0.09 -1.16 0.00 0.00 179.01 179.07 3i5j h ARG 304 N 1.27 0.90 -0.58 2.33 9.65 -1.54 -1.44 114.38 124.98 3i5j h ARG 304 Ca 0.34 -0.08 -0.10 0.00 -1.10 0.00 0.00 59.98 59.03 3i5j h ARG 304 Cb -0.09 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.29 3i5j h ARG 304 CO -0.07 0.65 -0.04 0.66 2.80 0.00 0.00 179.97 183.97 3i5j h SER 305 N 0.92 1.03 -0.58 -3.80 4.64 -0.51 -0.68 113.55 114.57 3i5j h SER 305 Ca 0.24 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3i5j h SER 305 Cb -0.01 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 3i5j h SER 305 CO -0.04 1.10 0.28 0.25 -0.87 0.00 0.00 176.83 177.55 3i5j h LEU 306 N 0.94 0.76 -0.74 5.97 6.46 -0.81 -1.45 115.31 126.44 3i5j h LEU 306 Ca 0.16 -0.13 -0.08 0.00 -0.12 0.00 0.00 57.88 57.71 3i5j h LEU 306 Cb 0.60 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3i5j h LEU 306 CO 0.04 0.68 0.11 0.40 -0.62 0.00 0.00 178.44 179.05 3i5j h ILE 307 N 0.79 1.26 0.00 4.05 2.04 -1.07 -2.56 117.51 122.02 3i5j h ILE 307 Ca 0.20 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3i5j h ILE 307 Cb 0.12 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3i5j h ILE 307 CO -0.02 0.38 -0.20 -0.78 0.00 0.00 0.00 178.15 177.52 3i5j h ASP 308 N 1.00 0.00 0.01 1.72 1.82 -0.53 -0.72 116.42 119.73 3i5j h ASP 308 Ca 0.20 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 3i5j h ASP 308 Cb 0.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.44 3i5j h ASP 308 CO 0.01 0.20 -0.01 0.18 -1.61 0.00 0.00 179.24 178.02 3i5j n LEU 309 N -4.08 0.71 0.00 2.28 4.77 -0.60 -4.91 117.00 115.17 3i5j n LEU 309 Ca -0.02 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3i5j n LEU 309 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3i5j n LEU 309 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3i5j n GLY 310 N 1.10 0.79 3.97 -0.72 0.00 -0.27 -4.86 105.19 105.20 3i5j n GLY 310 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3i5j n GLY 310 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i5j s LEU 311 N 0.00 3.03 0.13 0.99 1.43 -1.00 -5.04 118.68 118.23 3i5j s LEU 311 Ca 0.00 -0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3i5j s LEU 311 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3i5j s LEU 311 CO 0.00 -1.61 0.17 -1.81 0.23 0.00 0.00 176.35 173.33 3i5j s ASP 312 N -4.60 5.81 0.27 2.29 1.01 -1.26 -4.27 116.67 115.91 3i5j s ASP 312 Ca 0.62 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.60 3i5j s ASP 312 Cb -0.08 -1.62 -0.14 0.00 1.01 0.00 0.00 42.92 42.10 3i5j s ASP 312 CO 0.43 0.10 1.19 0.29 0.21 0.00 0.00 175.17 177.38 3i5j n LYS 313 N -0.17 1.63 -1.30 8.23 5.02 -1.26 -4.91 118.16 125.41 3i5j n LYS 313 Ca -0.08 0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 56.45 3i5j n LYS 313 Cb 0.53 -2.08 0.11 0.00 -0.02 0.00 0.00 35.03 33.57 3i5j n LYS 313 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i5j s PRO 314 N -1.12 1.95 0.54 1.97 0.04 -1.26 -4.86 135.00 132.26 3i5j s PRO 314 Ca 0.63 1.69 0.23 0.00 0.04 0.00 0.00 61.00 63.59 3i5j s PRO 314 Cb -0.69 -1.82 1.48 0.00 0.04 0.00 0.00 34.50 33.51 3i5j s PRO 314 CO 0.56 -1.96 2.16 0.11 0.04 0.00 0.00 177.00 177.91 3i5j h TRP 315 N -0.62 0.00 -0.41 0.56 5.08 -1.98 -1.10 115.95 117.48 3i5j h TRP 315 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3i5j h TRP 315 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3i5j h TRP 315 CO 0.48 0.05 0.00 2.48 -1.28 0.00 0.00 178.44 180.17 3i5j n TYR 316 N -4.10 0.81 -0.24 0.12 0.18 -1.26 -4.63 117.16 108.04 3i5j n TYR 316 Ca -0.03 -0.34 0.01 0.00 1.88 0.00 0.00 57.90 59.42 3i5j n TYR 316 Cb 0.13 -0.11 0.08 0.00 -0.38 0.00 0.00 39.34 39.06 3i5j n TYR 316 CO 0.00 0.00 0.00 2.35 -2.08 0.00 0.00 176.86 177.13 3i5j h TRP 317 N 2.54 -0.38 -0.25 -3.48 -0.00 -1.54 -0.41 115.95 112.43 3i5j h TRP 317 Ca 0.00 0.06 -0.05 0.00 -0.00 0.00 0.00 58.89 58.90 3i5j h TRP 317 Cb 0.85 0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.28 3i5j h TRP 317 CO 0.41 -0.31 -0.08 -0.44 -0.00 0.00 0.00 178.44 178.03 3i5j h ASP 318 N -0.00 0.37 -0.52 2.65 3.32 -1.87 -0.98 116.42 119.39 3i5j h ASP 318 Ca 0.34 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3i5j h ASP 318 Cb 0.52 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3i5j h ASP 318 CO -0.73 0.49 0.23 -0.07 -1.72 0.00 0.00 179.24 177.44 3i5j h LEU 319 N 0.37 0.70 -0.26 1.55 3.38 -1.47 -1.91 115.31 117.67 3i5j h LEU 319 Ca 0.08 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3i5j h LEU 319 Cb 0.38 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3i5j h LEU 319 CO 0.02 0.66 0.10 0.15 0.09 0.00 0.00 178.44 179.46 3i5j h PHE 320 N 0.70 0.18 -0.55 1.13 3.57 -0.64 0.17 116.94 121.48 3i5j h PHE 320 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3i5j h PHE 320 Cb 0.17 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3i5j h PHE 320 CO 0.00 0.09 0.26 -0.07 -2.23 0.00 0.00 178.31 176.36 3i5j h LEU 321 N 0.22 0.73 -0.32 0.59 3.38 -0.90 -0.84 115.31 118.16 3i5j h LEU 321 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3i5j h LEU 321 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i5j h LEU 321 CO -0.11 0.65 0.21 0.50 0.09 0.00 0.00 178.44 179.79 3i5j h LYS 322 N 0.75 0.42 -0.93 1.13 3.64 -1.22 -2.71 116.57 117.65 3i5j h LYS 322 Ca 0.19 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 3i5j h LYS 322 Cb 0.12 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.77 3i5j h LYS 322 CO -0.02 0.29 0.59 0.22 -2.27 0.00 0.00 179.45 178.26 3i5j h ASP 323 N 0.43 0.67 -0.14 4.20 3.58 -0.39 -1.58 116.42 123.19 3i5j h ASP 323 Ca 0.12 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3i5j h ASP 323 Cb -0.04 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 3i5j h ASP 323 CO -0.03 0.31 0.06 0.40 -2.88 0.00 0.00 179.24 177.11 3i5j h ILE 324 N 0.69 1.09 0.00 2.25 2.04 -0.84 -0.10 117.51 122.64 3i5j h ILE 324 Ca 0.48 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 66.05 3i5j h ILE 324 Cb 0.80 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3i5j h ILE 324 CO -0.24 0.11 0.00 0.44 0.00 0.00 0.00 178.15 178.46 3i5j h ASP 325 N 0.27 0.00 0.00 1.72 3.32 -1.27 -3.43 116.42 117.03 3i5j h ASP 325 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3i5j h ASP 325 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3i5j h ASP 325 CO -0.01 0.00 -0.35 -0.62 -1.72 0.00 0.00 179.24 176.54 3i5j n GLU 326 N -2.68 0.00 0.09 3.56 1.02 -0.42 -4.92 120.64 117.29 3i5j n GLU 326 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.05 3i5j n GLU 326 Cb 0.38 -0.33 -0.06 0.00 -0.02 0.00 0.00 31.44 31.42 3i5j n GLU 326 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i5j h LEU 327 N 0.00 -0.34 -1.98 -4.62 5.85 -1.34 -2.89 115.31 109.98 3i5j h LEU 327 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3i5j h LEU 327 Cb 0.35 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3i5j h LEU 327 CO 0.00 -0.19 -0.05 1.12 -0.34 0.00 0.00 178.44 178.98 3i5j h HIS 328 N -0.25 0.00 -0.24 1.25 2.07 -1.81 0.32 115.15 116.49 3i5j h HIS 328 Ca 0.02 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.44 3i5j h HIS 328 Cb 0.26 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.23 3i5j h HIS 328 CO -0.14 0.05 -0.28 0.45 -3.07 0.00 0.00 177.93 174.94 3i5j h HIS 329 N 0.00 0.55 0.15 6.12 3.86 -1.86 0.11 115.15 124.07 3i5j h HIS 329 Ca -0.00 -0.12 -0.25 0.00 -1.16 0.00 0.00 60.37 58.83 3i5j h HIS 329 Cb 0.34 -0.13 0.03 0.00 1.06 0.00 0.00 27.41 28.70 3i5j h HIS 329 CO 0.00 0.72 -1.08 0.77 0.86 0.00 0.00 177.93 179.20 3i5j h SER 330 N 0.42 0.70 -0.45 2.45 0.02 -1.10 -2.76 113.55 112.84 3i5j h SER 330 Ca 0.06 -0.88 0.03 0.00 -0.84 0.00 0.00 61.79 60.15 3i5j h SER 330 Cb 0.71 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3i5j h SER 330 CO 0.05 1.52 0.24 1.88 -1.14 0.00 0.00 176.83 179.39 3i5j h TYR 331 N -0.02 0.45 -0.49 3.45 0.05 -0.97 -2.30 116.97 117.15 3i5j h TYR 331 Ca -0.18 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.72 3i5j h TYR 331 Cb 1.82 -0.14 -0.10 0.00 1.01 0.00 0.00 36.73 39.32 3i5j h TYR 331 CO 0.15 0.24 -0.19 1.25 -1.05 0.00 0.00 178.16 178.56 3i5j h HIS 332 N 0.49 -0.47 -0.76 4.88 -0.00 -0.80 -0.86 115.15 117.63 3i5j h HIS 332 Ca 0.19 0.05 0.09 0.00 -0.00 0.00 0.00 60.37 60.70 3i5j h HIS 332 Cb 0.06 0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.68 3i5j h HIS 332 CO -0.09 -0.28 0.40 1.98 -0.00 0.00 0.00 177.93 179.95 3i5j h MET 333 N -0.08 0.66 -0.15 5.26 1.85 -1.19 0.19 114.93 121.46 3i5j h MET 333 Ca 0.23 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.26 3i5j h MET 333 Cb 0.44 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 3i5j h MET 333 CO -0.55 0.44 0.01 0.78 -0.40 0.00 0.00 176.91 177.19 3i5j h GLY 334 N 0.68 0.29 1.00 1.39 0.00 -0.95 0.21 103.07 105.69 3i5j h GLY 334 Ca 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3i5j h GLY 334 CO -0.26 0.19 0.22 -2.08 0.00 0.00 0.00 176.54 174.62 3i5j h VAL 335 N 0.02 1.10 -0.31 4.60 2.07 -0.94 -1.45 116.25 121.34 3i5j h VAL 335 Ca 0.04 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3i5j h VAL 335 Cb 0.36 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3i5j h VAL 335 CO 0.01 0.10 -0.15 -0.25 0.02 0.00 0.00 177.57 177.29 3i5j h TRP 336 N 0.46 0.75 -0.30 1.57 7.01 -0.46 -1.09 115.95 123.90 3i5j h TRP 336 Ca 0.13 -0.19 -0.10 0.00 2.11 0.00 0.00 58.89 60.84 3i5j h TRP 336 Cb -0.03 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.84 3i5j h TRP 336 CO -0.05 0.88 -0.24 -0.92 -2.79 0.00 0.00 178.44 175.32 3i5j h TYR 337 N 0.41 0.64 -0.89 2.65 3.20 -0.52 -2.41 116.97 120.05 3i5j h TYR 337 Ca 0.07 -0.14 -0.47 0.00 3.14 0.00 0.00 58.73 61.34 3i5j h TYR 337 Cb 0.68 -0.16 -0.27 0.00 1.54 0.00 0.00 36.73 38.52 3i5j h TYR 337 CO 0.06 0.76 0.59 0.91 -1.64 0.00 0.00 178.16 178.84 3i5j n TRP 338 N -4.12 2.73 -0.14 -3.82 8.01 -0.55 -4.23 117.44 115.33 3i5j n TRP 338 Ca -0.00 -1.73 0.21 0.00 -1.31 0.00 0.00 57.50 54.67 3i5j n TRP 338 Cb 0.41 -0.88 0.62 0.00 -2.01 0.00 0.00 31.31 29.44 3i5j n TRP 338 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.69 176.75 3i5j h ARG 339 N 0.92 0.18 0.00 -0.99 0.11 -0.66 -0.48 114.38 113.45 3i5j h ARG 339 Ca 0.57 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.64 3i5j h ARG 339 Cb 2.61 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 33.65 3i5j h ARG 339 CO 1.00 0.12 0.00 0.00 0.10 0.00 0.00 179.97 181.18 3i5j h THR 340 N 0.18 0.00 -0.10 0.08 1.03 -1.82 -0.95 112.91 111.34 3i5j h THR 340 Ca 0.37 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 3i5j h THR 340 Cb 1.18 0.89 0.00 0.00 -1.07 0.00 0.00 68.15 69.15 3i5j h THR 340 CO -0.07 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 175.79 3i5j n THR 341 N -2.84 0.11 -3.79 0.00 -2.24 -0.19 -3.80 114.28 101.53 3i5j n THR 341 Ca -0.02 -0.40 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 3i5j n THR 341 Cb 0.08 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 3i5j n THR 341 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i5j s ALA 342 N -1.89 3.89 -2.62 6.98 0.00 -0.38 -4.62 121.76 123.11 3i5j s ALA 342 Ca 0.34 -0.88 0.26 0.00 0.00 0.00 0.00 51.96 51.69 3i5j s ALA 342 Cb 0.20 -1.92 0.64 0.00 0.00 0.00 0.00 23.12 22.04 3i5j s ALA 342 CO 0.31 0.52 1.51 -2.67 0.00 0.00 0.00 175.76 175.43 3i5j n TRP 343 N -0.48 0.00 -4.10 0.00 2.14 -1.26 -0.87 117.44 112.86 3i5j n TRP 343 Ca -0.05 0.00 -0.27 0.00 2.07 0.00 0.00 57.50 59.25 3i5j n TRP 343 Cb 0.53 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.99 3i5j n TRP 343 CO 0.00 0.00 0.00 1.67 2.07 0.00 0.00 177.69 181.43 3i5j s TRP 344 N -2.06 1.88 -0.58 -2.67 -2.14 -1.26 -4.75 118.94 107.36 3i5j s TRP 344 Ca 0.32 -0.81 -0.07 0.00 2.66 0.00 0.00 56.10 58.20 3i5j s TRP 344 Cb 0.20 -1.87 0.15 0.00 -3.10 0.00 0.00 33.47 28.86 3i5j s TRP 344 CO 0.35 -0.21 0.44 -0.80 -2.66 0.00 0.00 176.95 174.07 3i5j s ASN 345 N -4.13 5.68 0.33 -2.66 0.01 -1.26 -3.93 114.94 108.98 3i5j s ASN 345 Ca 0.30 -2.40 -0.29 0.00 -0.71 0.00 0.00 52.86 49.76 3i5j s ASN 345 Cb -0.00 -1.97 -0.12 0.00 0.41 0.00 0.00 41.25 39.56 3i5j s ASN 345 CO 0.18 -0.54 1.45 -2.65 -1.51 0.00 0.00 177.10 174.02 3i5j n PRO 346 N 4.20 2.43 -3.32 -0.60 -0.02 -1.19 -3.90 135.00 132.59 3i5j n PRO 346 Ca 0.02 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.98 3i5j n PRO 346 Cb 0.41 -2.55 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 3i5j n PRO 346 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i5j s ALA 347 N -0.68 3.51 0.20 3.55 0.00 -1.26 -0.18 121.76 126.90 3i5j s ALA 347 Ca 0.59 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 3i5j s ALA 347 Cb -0.53 -2.62 0.12 0.00 0.00 0.00 0.00 23.12 20.09 3i5j s ALA 347 CO 0.57 0.11 1.67 0.00 0.00 0.00 0.00 175.76 178.12 3i5j h ALA 348 N 6.19 0.89 -1.64 0.00 0.00 -1.94 -3.42 119.26 119.35 3i5j h ALA 348 Ca -0.43 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 53.97 3i5j h ALA 348 Cb 1.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i5j h ALA 348 CO 0.72 0.66 -0.27 0.41 0.00 0.00 0.00 179.25 180.76 3i5j n GLY 349 N -0.48 -0.04 2.13 0.00 0.00 -1.26 -4.94 105.19 100.60 3i5j n GLY 349 Ca 0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 3i5j n GLY 349 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i5j n VAL 350 N -3.99 1.93 -1.43 1.61 0.24 -1.26 -4.62 118.33 110.81 3i5j n VAL 350 Ca -0.11 -3.51 -0.31 0.00 -2.04 0.00 0.00 64.34 58.37 3i5j n VAL 350 Cb 0.59 -0.11 0.07 0.00 -1.47 0.00 0.00 33.84 32.92 3i5j n VAL 350 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i5j s THR 351 N -3.94 3.70 0.42 3.34 -4.23 -1.26 -4.73 115.64 108.95 3i5j s THR 351 Ca 0.41 0.55 0.12 0.00 -1.18 0.00 0.00 61.69 61.59 3i5j s THR 351 Cb 0.38 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 71.35 3i5j s THR 351 CO -0.01 -0.72 1.99 -0.65 -0.54 0.00 0.00 174.62 174.69 3i5j h PRO 352 N -0.91 0.45 -0.65 3.99 0.11 -1.92 0.68 132.00 133.75 3i5j h PRO 352 Ca -0.44 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3i5j h PRO 352 Cb 1.22 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3i5j h PRO 352 CO 0.54 0.30 0.22 1.49 -0.21 0.00 0.00 178.00 180.34 3i5j h GLU 353 N 0.46 0.98 -0.04 1.05 4.81 -1.92 -1.44 114.58 118.48 3i5j h GLU 353 Ca 0.26 -0.19 -0.22 0.00 -0.13 0.00 0.00 59.36 59.08 3i5j h GLU 353 Cb 0.41 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3i5j h GLU 353 CO -0.07 0.83 -0.88 0.93 -0.73 0.00 0.00 179.01 179.09 3i5j h GLU 354 N 0.95 0.50 -0.60 1.92 5.08 -1.25 -2.67 114.58 118.50 3i5j h GLU 354 Ca 0.22 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3i5j h GLU 354 Cb 0.25 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3i5j h GLU 354 CO -0.01 1.12 0.01 0.00 -1.00 0.00 0.00 179.01 179.13 3i5j h ARG 355 N 0.31 1.06 -0.96 2.33 3.08 -0.84 0.36 114.38 119.71 3i5j h ARG 355 Ca -0.07 -0.33 0.13 0.00 0.07 0.00 0.00 59.98 59.78 3i5j h ARG 355 Cb 1.50 -0.10 -0.09 0.00 0.08 0.00 0.00 29.97 31.37 3i5j h ARG 355 CO 0.16 1.04 0.59 -0.44 -1.07 0.00 0.00 179.97 180.24 3i5j h ASP 356 N 0.96 0.82 -0.03 7.04 3.32 -1.22 -0.70 116.42 126.61 3i5j h ASP 356 Ca 0.17 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3i5j h ASP 356 Cb 0.55 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3i5j h ASP 356 CO 0.03 0.40 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.70 3i5j h TRP 357 N 0.88 0.07 -0.79 4.55 7.01 -0.91 -1.54 115.95 125.22 3i5j h TRP 357 Ca 0.50 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.60 3i5j h TRP 357 Cb 0.58 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.56 3i5j h TRP 357 CO -0.02 0.41 0.52 -0.07 -2.79 0.00 0.00 178.44 176.49 3i5j h LEU 358 N -0.29 0.59 -0.33 0.65 3.38 -0.16 -0.02 115.31 119.13 3i5j h LEU 358 Ca 0.01 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.80 3i5j h LEU 358 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i5j h LEU 358 CO 0.00 0.34 -0.73 -0.08 0.09 0.00 0.00 178.44 178.06 3i5j h GLU 359 N 0.65 0.55 -0.64 1.13 4.57 -0.96 0.89 114.58 120.78 3i5j h GLU 359 Ca 0.38 -0.44 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 3i5j h GLU 359 Cb 0.57 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 3i5j h GLU 359 CO -0.15 1.07 0.25 1.49 -1.18 0.00 0.00 179.01 180.50 3i5j h GLU 360 N 0.38 0.96 0.00 1.92 4.81 -0.62 -2.34 114.58 119.70 3i5j h GLU 360 Ca -0.03 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 3i5j h GLU 360 Cb 1.32 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3i5j h GLU 360 CO 0.14 0.81 -0.25 0.87 -0.73 0.00 0.00 179.01 179.85 3i5j h LYS 361 N 0.91 0.00 -1.75 1.92 1.79 -0.73 -3.39 116.57 115.32 3i5j h LYS 361 Ca 0.21 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.21 3i5j h LYS 361 Cb 0.21 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 30.54 3i5j h LYS 361 CO -0.02 0.10 -0.90 0.66 -1.08 0.00 0.00 179.45 178.22 3i5j n TYR 362 N -3.07 -1.43 -1.67 -1.35 4.01 0.28 -5.03 117.16 108.90 3i5j n TYR 362 Ca 0.03 -2.94 -0.45 0.00 -0.16 0.00 0.00 57.90 54.38 3i5j n TYR 362 Cb 0.58 0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.96 3i5j n TYR 362 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3i5j n PRO 363 N 2.19 2.03 0.00 -0.72 -0.02 -0.89 -1.34 135.00 136.25 3i5j n PRO 363 Ca 0.23 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3i5j n PRO 363 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3i5j n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5j n GLY 364 N 2.28 0.22 0.20 -1.23 0.00 -1.26 -5.00 105.19 100.40 3i5j n GLY 364 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3i5j n GLY 364 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3i5j h TRP 365 N 0.00 0.29 0.00 1.61 7.01 -1.52 -2.64 115.95 120.71 3i5j h TRP 365 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 3i5j h TRP 365 Cb 0.00 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.00 3i5j h TRP 365 CO 0.00 0.08 -0.14 -0.91 -2.79 0.00 0.00 178.44 174.68 3i5j h ASN 366 N 0.34 0.00 0.09 2.65 2.35 -1.91 -0.56 115.58 118.53 3i5j h ASN 366 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3i5j h ASN 366 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3i5j h ASN 366 CO -0.26 0.14 -0.07 0.29 -1.65 0.00 0.00 177.43 175.88 3i5j n LYS 367 N -3.61 1.27 0.00 0.81 5.02 -1.01 -2.88 118.16 117.77 3i5j n LYS 367 Ca -0.01 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.64 3i5j n LYS 367 Cb 0.27 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3i5j n LYS 367 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i5j n ARG 368 N -0.31 0.00 -0.24 1.97 1.74 -0.81 -1.26 116.66 117.75 3i5j n ARG 368 Ca 0.18 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.36 3i5j n ARG 368 Cb 0.31 0.00 0.37 0.00 -1.02 0.00 0.00 32.46 32.12 3i5j n ARG 368 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3i5j h TRP 369 N 0.00 0.79 -1.14 -1.55 6.55 -1.62 -0.99 115.95 117.99 3i5j h TRP 369 Ca 0.00 0.02 0.32 0.00 0.95 0.00 0.00 58.89 60.18 3i5j h TRP 369 Cb 0.00 -0.25 -0.07 0.00 -0.86 0.00 0.00 29.16 27.97 3i5j h TRP 369 CO 0.00 0.34 0.78 0.78 -1.05 0.00 0.00 178.44 179.29 3i5j h GLY 370 N 0.71 0.57 1.03 1.49 0.00 -1.17 -0.77 103.07 104.94 3i5j h GLY 370 Ca 0.40 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.59 3i5j h GLY 370 CO -0.17 -0.08 0.21 3.21 0.00 0.00 0.00 176.54 179.71 3i5j h ARG 371 N 0.16 1.03 -0.33 4.80 2.47 -1.03 -0.64 114.38 120.83 3i5j h ARG 371 Ca 0.59 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 59.06 3i5j h ARG 371 Cb 1.99 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 30.14 3i5j h ARG 371 CO -0.15 0.89 0.08 0.00 0.56 0.00 0.00 179.97 181.35 3i5j h TRP 373 N 0.38 0.00 -0.25 0.00 4.06 -1.30 -2.03 115.95 116.81 3i5j h TRP 373 Ca 0.10 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 3i5j h TRP 373 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 3i5j h TRP 373 CO 0.02 0.11 0.08 -0.44 -3.56 0.00 0.00 178.44 174.65 3i5j h ASP 374 N 0.00 0.35 -0.02 -3.49 3.32 -1.05 -0.96 116.42 114.57 3i5j h ASP 374 Ca -0.00 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 3i5j h ASP 374 Cb 0.60 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3i5j h ASP 374 CO 0.01 0.45 0.01 0.58 -1.72 0.00 0.00 179.24 178.57 3i5j h VAL 375 N 0.23 1.14 -0.20 -1.35 2.07 -1.47 -1.50 116.25 115.19 3i5j h VAL 375 Ca 0.08 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3i5j h VAL 375 Cb 0.22 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3i5j h VAL 375 CO -0.00 0.11 0.10 0.40 0.02 0.00 0.00 177.57 178.20 3i5j h ILE 376 N -0.14 1.00 -0.79 4.57 2.04 -1.41 -0.96 117.51 121.83 3i5j h ILE 376 Ca 0.01 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 3i5j h ILE 376 Cb 0.18 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.99 3i5j h ILE 376 CO -0.00 0.04 0.35 0.74 0.00 0.00 0.00 178.15 179.27 3i5j h THR 377 N 0.22 1.25 -0.69 -0.27 2.02 -1.13 -1.31 112.91 112.99 3i5j h THR 377 Ca 0.08 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 3i5j h THR 377 Cb 0.01 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 3i5j h THR 377 CO -0.05 0.32 0.28 1.05 0.37 0.00 0.00 175.52 177.49 3i5j h GLU 378 N 1.13 1.01 -0.54 6.66 4.11 -0.82 -0.68 114.58 125.46 3i5j h GLU 378 Ca 0.27 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.43 3i5j h GLU 378 Cb 0.16 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3i5j h GLU 378 CO -0.03 0.82 -0.06 -0.91 0.07 0.00 0.00 179.01 178.90 3i5j h ASN 379 N 1.00 0.98 -0.61 3.06 -0.26 -0.34 -1.88 115.58 117.53 3i5j h ASN 379 Ca 0.23 -0.34 -0.03 0.00 -0.56 0.00 0.00 56.30 55.61 3i5j h ASN 379 Cb 0.18 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3i5j h ASN 379 CO -0.02 1.09 0.25 0.58 -1.06 0.00 0.00 177.43 178.27 3i5j h VAL 380 N 0.86 1.23 -0.03 2.81 2.07 -0.99 0.32 116.25 122.51 3i5j h VAL 380 Ca 0.14 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3i5j h VAL 380 Cb 0.62 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3i5j h VAL 380 CO 0.04 0.28 -0.27 -0.07 0.02 0.00 0.00 177.57 177.56 3i5j h LEU 381 N 0.85 0.06 -3.04 2.57 3.38 -0.99 -2.19 115.31 115.95 3i5j h LEU 381 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i5j h LEU 381 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i5j h LEU 381 CO -0.02 0.33 0.00 0.59 0.09 0.00 0.00 178.44 179.44 3i5j n ASN 382 N -4.19 4.72 -4.17 -0.43 4.13 -0.72 -4.92 115.26 109.67 3i5j n ASN 382 Ca -0.02 -2.52 -0.30 0.00 1.68 0.00 0.00 54.58 53.42 3i5j n ASN 382 Cb 0.34 -0.59 -0.07 0.00 -1.54 0.00 0.00 39.78 37.92 3i5j n ASN 382 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3i5j n ASP 383 N 0.95 0.20 -4.17 6.41 2.03 -0.70 -4.89 116.55 116.38 3i5j n ASP 383 Ca 0.25 -1.19 -0.43 0.00 0.52 0.00 0.00 54.79 53.94 3i5j n ASP 383 Cb 0.91 -2.11 -0.00 0.00 -0.72 0.00 0.00 41.12 39.20 3i5j n ASP 383 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3i5j n ARG 384 N -4.54 3.85 0.23 -0.67 1.74 0.10 -4.87 116.66 112.50 3i5j n ARG 384 Ca -0.31 -4.51 0.13 0.00 -0.77 0.00 0.00 57.85 52.39 3i5j n ARG 384 Cb 0.69 -2.52 0.33 0.00 -1.02 0.00 0.00 32.46 29.94 3i5j n ARG 384 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3i5j h MET 385 N 6.06 0.00 0.00 5.56 2.86 -1.91 -2.54 114.93 124.96 3i5j h MET 385 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3i5j h MET 385 Cb 0.76 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 3i5j h MET 385 CO 1.13 0.03 -0.13 0.38 1.06 0.00 0.00 176.91 179.39 3i5j h ASP 386 N 0.00 0.00 -0.00 1.22 -0.00 -1.93 -2.01 116.42 113.70 3i5j h ASP 386 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i5j h ASP 386 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.19 3i5j h ASP 386 CO 0.00 0.13 0.00 0.18 -0.00 0.00 0.00 179.24 179.55 3i5j n LEU 387 N -3.95 0.01 -0.10 0.15 4.77 -0.96 -3.42 117.00 113.50 3i5j n LEU 387 Ca -0.02 -0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3i5j n LEU 387 Cb 0.22 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3i5j n LEU 387 CO 0.32 0.00 0.32 0.52 -1.33 0.00 0.00 177.39 177.23 3i5j n VAL 388 N -0.81 0.16 -5.07 4.08 0.31 -0.76 -4.95 118.33 111.29 3i5j n VAL 388 Ca 0.15 -0.58 -0.29 0.00 -0.01 0.00 0.00 64.34 63.61 3i5j n VAL 388 Cb 0.07 0.96 -0.15 0.00 -0.91 0.00 0.00 33.84 33.81 3i5j n VAL 388 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i5j s SER 389 N -0.32 2.84 0.51 4.52 0.01 -1.22 -4.92 113.70 115.12 3i5j s SER 389 Ca 0.03 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.77 3i5j s SER 389 Cb 0.02 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 3i5j s SER 389 CO 0.03 0.27 0.80 -2.16 0.41 0.00 0.00 173.24 172.59 3i5j s PRO 390 N -0.77 3.19 -0.09 12.44 0.04 -1.26 -4.97 135.00 143.57 3i5j s PRO 390 Ca 0.10 -0.05 0.13 0.00 0.04 0.00 0.00 61.00 61.21 3i5j s PRO 390 Cb -0.09 -2.39 0.26 0.00 0.04 0.00 0.00 34.50 32.32 3i5j s PRO 390 CO 0.00 -0.40 1.13 0.39 0.04 0.00 0.00 177.00 178.15 3i5j n GLU 391 N -2.33 0.83 -2.50 4.56 1.02 -1.26 -5.06 120.64 115.90 3i5j n GLU 391 Ca 0.02 -2.22 -0.06 0.00 -0.02 0.00 0.00 57.16 54.88 3i5j n GLU 391 Cb 0.57 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3i5j n GLU 391 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3i5j n THR 392 N -0.74 0.00 -3.96 2.62 5.66 -1.26 -5.03 114.28 111.57 3i5j n THR 392 Ca 0.11 -0.64 -0.31 0.00 -3.05 0.00 0.00 64.05 60.15 3i5j n THR 392 Cb 0.73 0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 69.96 3i5j n THR 392 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i5j s LEU 393 N 0.00 4.19 0.66 1.09 1.43 -1.26 -5.07 118.68 119.73 3i5j s LEU 393 Ca 0.10 0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.25 3i5j s LEU 393 Cb -0.02 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.48 3i5j s LEU 393 CO 0.08 0.19 1.14 -2.84 0.23 0.00 0.00 176.35 175.15 3i5j s PRO 394 N -2.32 2.67 0.36 1.29 0.02 -1.26 -5.01 135.00 130.75 3i5j s PRO 394 Ca 0.31 1.53 -0.24 0.00 0.02 0.00 0.00 61.00 62.62 3i5j s PRO 394 Cb -0.13 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 3i5j s PRO 394 CO 0.24 -1.37 0.95 -1.12 -0.33 0.00 0.00 177.00 175.36 3i5j s SER 395 N -2.31 7.20 0.00 2.53 0.01 -1.26 -4.93 113.70 114.94 3i5j s SER 395 Ca 0.70 1.78 0.06 0.00 1.31 0.00 0.00 55.95 59.81 3i5j s SER 395 Cb -0.24 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.41 3i5j s SER 395 CO 0.41 -0.17 -0.20 -0.69 0.41 0.00 0.00 173.24 173.00 3i5j s VAL 396 N -1.82 1.59 0.28 3.43 1.01 -1.26 -1.19 120.40 122.44 3i5j s VAL 396 Ca 0.54 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3i5j s VAL 396 Cb -0.15 -1.34 -0.12 0.00 0.00 0.00 0.00 36.38 34.77 3i5j s VAL 396 CO 0.20 0.36 1.60 0.00 0.00 0.00 0.00 175.10 177.26 3i5j n ASN 398 N 2.36 0.00 -0.02 0.00 3.02 0.01 -2.14 115.26 118.49 3i5j n ASN 398 Ca 0.10 -0.58 -0.02 0.00 -0.03 0.00 0.00 54.58 54.04 3i5j n ASN 398 Cb 0.36 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 3i5j n ASN 398 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3i5j n MET 399 N -1.13 0.12 0.15 3.52 1.56 -1.26 -4.76 117.12 115.33 3i5j n MET 399 Ca 0.19 0.05 0.13 0.00 -0.27 0.00 0.00 57.70 57.80 3i5j n MET 399 Cb 0.16 -0.61 0.38 0.00 2.15 0.00 0.00 33.22 35.31 3i5j n MET 399 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3i5j h SER 400 N -0.23 0.00 -0.46 6.12 4.64 -1.96 -3.47 113.55 118.19 3i5j h SER 400 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3i5j h SER 400 Cb 0.23 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.26 3i5j h SER 400 CO 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.80 3i5j n GLN 401 N -2.55 -0.57 -4.33 4.77 1.13 -0.91 -4.57 117.38 110.34 3i5j n GLN 401 Ca 0.04 0.75 -0.28 0.00 -1.94 0.00 0.00 57.00 55.57 3i5j n GLN 401 Cb 0.42 -4.60 -0.11 0.00 0.11 0.00 0.00 30.24 26.06 3i5j n GLN 401 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i5j s ILE 402 N -2.31 2.82 0.60 5.09 1.01 -1.26 -4.66 121.20 122.49 3i5j s ILE 402 Ca 0.00 -1.71 -0.19 0.00 0.00 0.00 0.00 60.65 58.75 3i5j s ILE 402 Cb 0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3i5j s ILE 402 CO 0.00 -0.04 1.15 -2.65 0.00 0.00 0.00 174.94 173.40 3i5j n PRO 403 N 0.38 1.14 -2.56 2.79 -0.02 -1.26 -0.77 135.00 134.70 3i5j n PRO 403 Ca -0.13 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 3i5j n PRO 403 Cb 0.55 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3i5j n PRO 403 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i5j s LEU 404 N -2.95 4.14 0.26 2.45 1.43 -0.33 -4.72 118.68 118.96 3i5j s LEU 404 Ca 0.77 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 55.42 3i5j s LEU 404 Cb -0.41 -3.54 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 3i5j s LEU 404 CO 0.46 -0.70 0.04 0.68 0.23 0.00 0.00 176.35 177.05 3i5j s VAL 405 N 3.28 0.98 0.00 -1.59 -7.23 -1.26 -4.88 120.40 109.70 3i5j s VAL 405 Ca 0.49 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3i5j s VAL 405 Cb -0.18 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.22 3i5j s VAL 405 CO 0.10 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 3i5j n GLY 406 N -0.50 3.35 3.66 2.32 0.00 -1.26 -4.47 105.19 108.29 3i5j n GLY 406 Ca -0.03 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.30 3i5j n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5j s VAL 407 N -2.33 5.02 0.74 1.61 1.01 -0.25 -4.84 120.40 121.37 3i5j s VAL 407 Ca 0.00 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.16 3i5j s VAL 407 Cb 0.00 -3.95 0.15 0.00 0.00 0.00 0.00 36.38 32.58 3i5j s VAL 407 CO 0.00 0.12 1.02 -0.81 0.00 0.00 0.00 175.10 175.42 3i5j n PRO 408 N 4.99 -0.25 0.00 2.72 -0.04 -1.26 -0.88 135.00 140.28 3i5j n PRO 408 Ca -0.01 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 3i5j n PRO 408 Cb 0.50 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 3i5j n PRO 408 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i5j n GLY 409 N -2.61 1.00 0.29 0.55 0.00 -1.25 -4.29 105.19 98.88 3i5j n GLY 409 Ca 0.16 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.45 3i5j n GLY 409 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i5j h ASP 410 N 9.09 0.34 -1.52 1.61 5.19 -1.46 -0.32 116.42 129.34 3i5j h ASP 410 Ca 0.00 -0.01 -0.58 0.00 -0.62 0.00 0.00 57.03 55.81 3i5j h ASP 410 Cb 0.00 -0.08 -0.42 0.00 0.18 0.00 0.00 39.33 39.01 3i5j h ASP 410 CO 0.00 0.27 -0.75 -0.90 -3.12 0.00 0.00 179.24 174.74 3i5j n ASP 411 N -4.47 4.57 -4.26 6.45 5.75 -1.26 -5.08 116.55 118.26 3i5j n ASP 411 Ca 0.01 -3.68 -0.57 0.00 -0.01 0.00 0.00 54.79 50.55 3i5j n ASP 411 Cb 0.09 -0.47 -0.08 0.00 -1.03 0.00 0.00 41.12 39.63 3i5j n ASP 411 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3i5j n TRP 412 N -0.46 0.74 -3.64 2.11 -0.00 -0.13 -4.89 117.44 111.17 3i5j n TRP 412 Ca 0.38 1.01 -0.05 0.00 -0.00 0.00 0.00 57.50 58.84 3i5j n TRP 412 Cb 0.66 -1.98 -0.06 0.00 -0.00 0.00 0.00 31.31 29.93 3i5j n TRP 412 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3i5j s ASN 413 N 0.36 -0.99 0.01 5.87 2.20 -0.06 -4.99 114.94 117.34 3i5j s ASN 413 Ca 0.87 1.49 0.01 0.00 -0.94 0.00 0.00 52.86 54.30 3i5j s ASN 413 Cb -1.22 1.70 -0.01 0.00 -2.00 0.00 0.00 41.25 39.72 3i5j s ASN 413 CO 0.57 -0.23 -0.05 -0.51 -2.94 0.00 0.00 177.10 173.94 3i5j s ILE 414 N 2.08 0.37 -0.06 0.54 2.07 -1.26 -1.09 121.20 123.85 3i5j s ILE 414 Ca -0.08 -0.46 -0.03 0.00 -1.41 0.00 0.00 60.65 58.67 3i5j s ILE 414 Cb -0.07 -0.36 0.04 0.00 0.13 0.00 0.00 42.46 42.19 3i5j s ILE 414 CO -0.19 -0.07 0.14 -0.70 -1.91 0.00 0.00 174.94 172.20 3i5j s GLU 415 N -0.58 0.08 -0.14 3.50 2.12 -1.26 -5.04 118.70 117.39 3i5j s GLU 415 Ca -0.03 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 55.62 3i5j s GLU 415 Cb -0.04 -0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 3i5j s GLU 415 CO -0.00 -0.18 0.06 0.08 -0.54 0.00 0.00 175.26 174.68 3i5j s VAL 416 N 1.26 4.81 -0.37 3.70 1.01 -1.26 -4.74 120.40 124.80 3i5j s VAL 416 Ca -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3i5j s VAL 416 Cb -0.12 -3.11 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3i5j s VAL 416 CO -0.06 0.54 0.18 -0.36 0.00 0.00 0.00 175.10 175.40 3i5j s PHE 417 N -0.35 3.28 0.30 5.22 0.08 -0.23 -4.93 117.98 121.35 3i5j s PHE 417 Ca 0.09 -1.33 0.07 0.00 0.12 0.00 0.00 56.93 55.88 3i5j s PHE 417 Cb -0.12 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.78 3i5j s PHE 417 CO 0.02 -0.74 0.29 -1.12 -0.10 0.00 0.00 175.22 173.57 3i5j s SER 418 N 1.64 5.58 -0.16 1.36 0.01 -1.26 -0.35 113.70 120.52 3i5j s SER 418 Ca 0.01 -0.31 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 3i5j s SER 418 Cb -0.20 -1.26 0.06 0.00 0.21 0.00 0.00 66.02 64.83 3i5j s SER 418 CO 0.04 -0.22 0.38 -0.22 0.41 0.00 0.00 173.24 173.63 3i5j s LEU 419 N -3.96 -0.10 0.00 2.44 2.96 -0.43 -4.98 118.68 114.62 3i5j s LEU 419 Ca 0.38 0.84 -0.20 0.00 -0.22 0.00 0.00 54.13 54.93 3i5j s LEU 419 Cb -0.07 1.23 -0.06 0.00 0.50 0.00 0.00 46.19 47.79 3i5j s LEU 419 CO 0.27 -0.20 0.57 -1.61 -1.32 0.00 0.00 176.35 174.07 3i5j s GLU 420 N 1.59 4.28 -0.22 1.98 2.02 -1.26 -0.07 118.70 127.01 3i5j s GLU 420 Ca -0.08 0.70 -0.09 0.00 0.02 0.00 0.00 54.97 55.52 3i5j s GLU 420 Cb -0.09 -3.32 0.09 0.00 0.10 0.00 0.00 34.13 30.90 3i5j s GLU 420 CO -0.12 0.42 0.50 -1.58 0.02 0.00 0.00 175.26 174.50 3i5j s HIS 421 N -0.35 -0.88 -1.39 1.61 2.46 -0.23 -4.90 115.29 111.62 3i5j s HIS 421 Ca 0.30 1.69 -0.05 0.00 0.47 0.00 0.00 55.06 57.47 3i5j s HIS 421 Cb -0.18 0.43 0.03 0.00 -0.13 0.00 0.00 32.58 32.73 3i5j s HIS 421 CO 0.17 -0.48 0.79 0.09 -2.47 0.00 0.00 174.74 172.83 3i5j n ASN 422 N 4.92 -2.41 -0.97 9.88 3.02 -1.26 -1.63 115.26 126.81 3i5j n ASN 422 Ca -0.15 -0.81 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 3i5j n ASN 422 Cb 0.52 -3.95 -0.04 0.00 -0.61 0.00 0.00 39.78 35.71 3i5j n ASN 422 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i5j n GLY 423 N -1.64 0.91 3.04 7.41 0.00 -1.26 -5.00 105.19 108.65 3i5j n GLY 423 Ca -0.18 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 3i5j n GLY 423 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i5j s ARG 424 N -3.36 0.57 -0.33 1.61 3.52 -0.65 -5.14 118.95 115.18 3i5j s ARG 424 Ca 0.00 -0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 54.89 3i5j s ARG 424 Cb 0.00 -0.47 -0.01 0.00 -1.56 0.00 0.00 34.95 32.91 3i5j s ARG 424 CO 0.00 0.11 0.42 -1.17 -0.81 0.00 0.00 175.30 173.85 3i5j s LEU 425 N -0.95 4.31 0.13 -0.88 2.96 -1.26 -1.07 118.68 121.92 3i5j s LEU 425 Ca -0.03 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 3i5j s LEU 425 Cb -0.07 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 3i5j s LEU 425 CO 0.00 -0.35 0.04 -0.31 -1.32 0.00 0.00 176.35 174.41 3i5j s TYR 426 N 2.16 3.02 -0.02 5.38 2.02 0.90 -4.98 117.35 125.83 3i5j s TYR 426 Ca 0.15 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.86 3i5j s TYR 426 Cb -0.16 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3i5j s TYR 426 CO 0.12 0.50 -0.15 -1.01 -1.57 0.00 0.00 175.55 173.44 3i5j s HIS 427 N -1.52 1.45 0.09 2.71 3.76 -1.26 -1.31 115.29 119.21 3i5j s HIS 427 Ca 0.28 -0.33 0.06 0.00 -0.15 0.00 0.00 55.06 54.92 3i5j s HIS 427 Cb -0.11 -0.96 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 3i5j s HIS 427 CO 0.20 -0.08 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.79 3i5j s PHE 428 N -0.17 1.41 -2.30 1.40 0.08 0.53 -0.81 117.98 118.12 3i5j s PHE 428 Ca 0.02 -0.46 0.24 0.00 0.12 0.00 0.00 56.93 56.84 3i5j s PHE 428 Cb -0.08 -0.78 0.96 0.00 -0.57 0.00 0.00 43.02 42.56 3i5j s PHE 428 CO 0.00 0.12 1.68 0.41 -0.10 0.00 0.00 175.22 177.32 3i5j n GLY 429 N 1.10 -0.03 3.65 4.36 0.00 -1.26 -1.06 105.19 111.95 3i5j n GLY 429 Ca -0.20 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3i5j n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i5j s SER 430 N -1.73 -0.31 0.37 1.61 1.04 -1.26 -4.89 113.70 108.52 3i5j s SER 430 Ca 0.35 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.34 3i5j s SER 430 Cb 0.18 0.65 0.73 0.00 0.10 0.00 0.00 66.02 67.68 3i5j s SER 430 CO 0.29 -1.17 2.00 -0.33 0.98 0.00 0.00 173.24 175.01 3i5j h GLU 431 N 2.08 0.73 -0.03 4.02 4.39 -1.95 -2.89 114.58 120.92 3i5j h GLU 431 Ca -0.25 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.23 3i5j h GLU 431 Cb 1.27 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3i5j h GLU 431 CO 0.31 0.48 -0.65 0.28 -1.16 0.00 0.00 179.01 178.27 3i5j h VAL 432 N 0.75 1.39 -0.78 3.13 2.07 -1.99 -1.51 116.25 119.31 3i5j h VAL 432 Ca 0.25 -2.04 0.02 0.00 0.82 0.00 0.00 66.70 65.74 3i5j h VAL 432 Cb 0.05 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3i5j h VAL 432 CO -0.07 0.61 0.50 0.44 0.02 0.00 0.00 177.57 179.07 3i5j h ASP 433 N 0.04 0.85 -0.39 0.57 3.32 -1.91 0.13 116.42 119.04 3i5j h ASP 433 Ca -0.07 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.01 3i5j h ASP 433 Cb 1.34 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 3i5j h ASP 433 CO 0.13 0.60 0.15 -0.09 -1.72 0.00 0.00 179.24 178.31 3i5j h ARG 434 N 1.01 0.31 -0.73 3.56 2.43 -1.47 -2.44 114.38 117.05 3i5j h ARG 434 Ca 0.30 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 3i5j h ARG 434 Cb -0.06 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3i5j h ARG 434 CO -0.09 0.20 0.46 2.35 -1.51 0.00 0.00 179.97 181.39 3i5j h TRP 435 N 0.32 0.87 -0.66 2.20 7.01 -0.57 -1.39 115.95 123.74 3i5j h TRP 435 Ca 0.18 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.27 3i5j h TRP 435 Cb 0.14 -0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 26.86 3i5j h TRP 435 CO -0.14 0.51 0.34 0.28 -2.79 0.00 0.00 178.44 176.65 3i5j h VAL 436 N 0.92 0.92 -0.66 2.65 2.07 -0.61 -0.90 116.25 120.63 3i5j h VAL 436 Ca 0.29 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3i5j h VAL 436 Cb -0.01 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 3i5j h VAL 436 CO -0.10 0.11 0.40 0.15 0.02 0.00 0.00 177.57 178.16 3i5j h PHE 437 N 0.62 0.87 0.00 1.57 3.57 -0.99 -2.20 116.94 120.38 3i5j h PHE 437 Ca 0.30 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3i5j h PHE 437 Cb 0.24 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.69 3i5j h PHE 437 CO -0.09 0.58 0.00 1.96 -2.23 0.00 0.00 178.31 178.53 3i5j h GLN 438 N 0.90 0.00 0.00 1.11 4.20 -0.37 -2.17 115.11 118.78 3i5j h GLN 438 Ca 0.24 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 3i5j h GLN 438 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3i5j h GLN 438 CO -0.05 0.00 -0.34 1.96 -0.67 0.00 0.00 178.83 179.73 3i5j h GLN 439 N 0.00 0.00 -0.17 1.46 1.08 -0.54 -3.39 115.11 113.56 3i5j h GLN 439 Ca 0.00 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.95 3i5j h GLN 439 Cb 0.39 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.66 3i5j h GLN 439 CO 0.00 0.34 -0.54 -3.47 -0.95 0.00 0.00 178.83 174.21 3i5j n ASP 440 N -3.29 -2.60 0.26 1.46 2.03 -0.85 -5.02 116.55 108.53 3i5j n ASP 440 Ca 0.01 -3.29 0.11 0.00 0.52 0.00 0.00 54.79 52.14 3i5j n ASP 440 Cb 0.59 1.64 0.70 0.00 -0.72 0.00 0.00 41.12 43.33 3i5j n ASP 440 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i5j h PRO 441 N 3.91 0.00 0.00 -0.67 0.11 -1.67 -1.94 132.00 131.75 3i5j h PRO 441 Ca -0.13 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 3i5j h PRO 441 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3i5j h PRO 441 CO 0.33 0.09 -0.23 0.28 -0.21 0.00 0.00 178.00 178.26 3i5j h VAL 442 N 0.00 0.74 -0.15 3.15 2.07 -1.95 0.84 116.25 120.95 3i5j h VAL 442 Ca -0.00 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3i5j h VAL 442 Cb 0.20 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3i5j h VAL 442 CO 0.01 0.22 -0.24 -0.61 0.02 0.00 0.00 177.57 176.98 3i5j h GLN 443 N 0.00 0.26 0.00 1.57 5.75 -1.74 -3.38 115.11 117.57 3i5j h GLN 443 Ca -0.00 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.41 3i5j h GLN 443 Cb 0.58 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 3i5j h GLN 443 CO 0.03 0.49 -1.04 0.66 -2.65 0.00 0.00 178.83 176.32 3i5j n TYR 444 N -4.17 0.00 -0.26 3.99 4.02 -0.70 -4.87 117.16 115.17 3i5j n TYR 444 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.96 3i5j n TYR 444 Cb 0.35 -0.02 0.32 0.00 -0.02 0.00 0.00 39.34 39.97 3i5j n TYR 444 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3i5j h GLN 445 N 0.00 0.80 -0.42 -0.72 3.07 -1.05 -0.08 115.11 116.71 3i5j h GLN 445 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.68 3i5j h GLN 445 Cb 0.42 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.80 3i5j h GLN 445 CO 0.00 0.53 0.00 0.09 0.09 0.00 0.00 178.83 179.54 3i5j n ASN 446 N -4.52 3.37 -4.76 0.06 3.02 -1.26 -4.92 115.26 106.24 3i5j n ASN 446 Ca 0.15 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 3i5j n ASN 446 Cb 0.32 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3i5j n ASN 446 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3i5j s HIS 447 N -1.28 3.12 -0.24 3.10 2.46 -0.04 -5.04 115.29 117.37 3i5j s HIS 447 Ca 0.36 1.32 -0.04 0.00 0.47 0.00 0.00 55.06 57.18 3i5j s HIS 447 Cb 0.21 -3.67 0.00 0.00 -0.13 0.00 0.00 32.58 28.99 3i5j s HIS 447 CO 0.28 -1.93 -0.02 -1.64 -2.47 0.00 0.00 174.74 168.96 3i5j s MET 448 N -1.18 3.24 1.09 2.88 -1.94 -1.26 -5.10 119.30 117.03 3i5j s MET 448 Ca 0.52 -0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 53.61 3i5j s MET 448 Cb -0.39 -3.07 0.24 0.00 2.01 0.00 0.00 34.83 33.62 3i5j s MET 448 CO 0.48 -0.27 1.16 0.54 -0.01 0.00 0.00 175.02 176.92 3i5j s ASN 449 N 1.46 1.91 0.38 3.03 2.20 -1.26 -4.71 114.94 117.94 3i5j s ASN 449 Ca 0.04 0.62 0.07 0.00 -0.94 0.00 0.00 52.86 52.66 3i5j s ASN 449 Cb -0.15 -0.89 0.74 0.00 -2.00 0.00 0.00 41.25 38.95 3i5j s ASN 449 CO -0.03 -3.51 1.94 -0.29 -2.94 0.00 0.00 177.10 172.27 3i5j h ILE 450 N -2.16 1.16 -0.15 0.54 2.10 -1.94 -1.77 117.51 115.29 3i5j h ILE 450 Ca -0.46 -0.63 -0.16 0.00 1.08 0.00 0.00 64.86 64.69 3i5j h ILE 450 Cb 1.29 0.95 0.01 0.00 -1.09 0.00 0.00 36.82 37.97 3i5j h ILE 450 CO 0.40 0.21 -0.53 0.58 -1.08 0.00 0.00 178.15 177.73 3i5j h VAL 451 N 0.40 1.33 -0.76 2.19 2.07 -1.91 0.64 116.25 120.21 3i5j h VAL 451 Ca 0.09 -1.80 0.15 0.00 0.82 0.00 0.00 66.70 65.96 3i5j h VAL 451 Cb 0.25 2.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 3i5j h VAL 451 CO 0.01 0.55 0.29 0.44 0.02 0.00 0.00 177.57 178.88 3i5j h ASP 452 N 0.28 0.24 -0.24 0.57 3.32 -1.80 -0.87 116.42 117.92 3i5j h ASP 452 Ca -0.03 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3i5j h ASP 452 Cb 1.16 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3i5j h ASP 452 CO 0.11 0.08 0.04 0.03 -1.72 0.00 0.00 179.24 177.78 3i5j h ARG 453 N 0.42 0.40 -0.52 3.56 3.08 -0.93 -0.31 114.38 120.07 3i5j h ARG 453 Ca 0.42 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.47 3i5j h ARG 453 Cb 0.66 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 3i5j h ARG 453 CO -0.43 0.52 0.05 0.35 -1.07 0.00 0.00 179.97 179.39 3i5j h PHE 454 N 0.21 0.05 0.00 3.04 3.57 -0.64 -1.83 116.94 121.34 3i5j h PHE 454 Ca 0.07 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3i5j h PHE 454 Cb 0.32 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3i5j h PHE 454 CO 0.02 -0.08 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.56 3i5j h LEU 455 N 0.17 0.00 -0.28 0.59 3.38 -1.04 -3.18 115.31 114.94 3i5j h LEU 455 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3i5j h LEU 455 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i5j h LEU 455 CO -0.40 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3i5j n ALA 456 N -2.28 2.62 -0.20 1.53 0.00 -0.14 -4.90 120.51 117.14 3i5j n ALA 456 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3i5j n ALA 456 Cb 0.55 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3i5j n ALA 456 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5j n GLY 457 N 0.96 0.61 0.04 0.00 0.00 -1.06 -4.93 105.19 100.80 3i5j n GLY 457 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 3i5j n GLY 457 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5j n GLN 458 N -2.00 0.12 -3.93 1.61 6.02 -0.74 -4.61 117.38 113.86 3i5j n GLN 458 Ca 0.00 0.08 -0.35 0.00 -0.01 0.00 0.00 57.00 56.72 3i5j n GLN 458 Cb 0.00 -1.62 -0.14 0.00 1.02 0.00 0.00 30.24 29.50 3i5j n GLN 458 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3i5j s ILE 459 N -3.05 3.10 -0.04 5.09 1.01 -1.25 -4.98 121.20 121.08 3i5j s ILE 459 Ca 0.11 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3i5j s ILE 459 Cb 0.16 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3i5j s ILE 459 CO 0.60 0.23 -0.10 -1.10 0.00 0.00 0.00 174.94 174.57 3i5j s GLN 460 N 1.38 1.19 0.91 2.79 -1.52 -1.26 -3.12 119.66 120.03 3i5j s GLN 460 Ca 0.02 -0.35 -0.12 0.00 -1.95 0.00 0.00 55.36 52.96 3i5j s GLN 460 Cb -0.16 -1.07 0.14 0.00 -0.22 0.00 0.00 33.01 31.69 3i5j s GLN 460 CO -0.03 0.10 1.10 -1.25 -0.25 0.00 0.00 175.29 174.95 3i5j s PRO 461 N 0.30 1.13 -1.34 2.91 0.04 -1.26 -4.82 135.00 131.97 3i5j s PRO 461 Ca -0.06 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.55 3i5j s PRO 461 Cb -0.11 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 32.75 3i5j s PRO 461 CO 0.01 -2.29 1.99 -0.12 0.04 0.00 0.00 177.00 176.63 3i5j n MET 462 N -3.90 3.36 -4.04 4.56 1.56 -1.18 -3.94 117.12 113.55 3i5j n MET 462 Ca 0.06 -3.22 -0.09 0.00 -0.27 0.00 0.00 57.70 54.18 3i5j n MET 462 Cb 0.56 -3.05 -0.08 0.00 2.15 0.00 0.00 33.22 32.80 3i5j n MET 462 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3i5j s THR 463 N 1.35 0.09 0.21 1.12 -4.23 -1.26 -5.00 115.64 107.91 3i5j s THR 463 Ca 0.42 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 59.22 3i5j s THR 463 Cb 0.11 -1.90 0.15 0.00 1.34 0.00 0.00 72.50 72.20 3i5j s THR 463 CO -0.03 -0.39 1.87 0.25 -0.54 0.00 0.00 174.62 175.78 3i5j h LEU 464 N 2.70 0.86 -0.76 4.79 5.85 -1.96 0.79 115.31 127.58 3i5j h LEU 464 Ca -0.33 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 3i5j h LEU 464 Cb 1.21 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3i5j h LEU 464 CO 0.53 0.64 0.44 -0.08 -0.34 0.00 0.00 178.44 179.63 3i5j h GLU 465 N 1.00 1.04 -0.64 1.25 4.81 -1.96 0.11 114.58 120.19 3i5j h GLU 465 Ca 0.27 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3i5j h GLU 465 Cb -0.09 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.03 3i5j h GLU 465 CO -0.06 0.75 0.39 0.78 -0.73 0.00 0.00 179.01 180.15 3i5j h GLY 466 N 1.04 0.92 1.02 1.92 0.00 -1.46 -1.21 103.07 105.31 3i5j h GLY 466 Ca 0.27 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3i5j h GLY 466 CO -0.05 0.24 0.16 0.00 0.00 0.00 0.00 176.54 176.89 3i5j h ALA 467 N 1.29 0.82 -0.80 3.60 0.00 -0.27 -0.88 119.26 123.01 3i5j h ALA 467 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i5j h ALA 467 Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3i5j h ALA 467 CO -0.11 0.52 0.49 -0.07 0.00 0.00 0.00 179.25 180.07 3i5j h LEU 468 N 0.91 0.95 -0.21 0.00 3.38 -0.32 -0.13 115.31 119.88 3i5j h LEU 468 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3i5j h LEU 468 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3i5j h LEU 468 CO 0.00 0.73 -0.02 0.11 0.09 0.00 0.00 178.44 179.35 3i5j h LYS 469 N 1.10 0.39 -0.97 1.13 1.79 -1.02 -2.76 116.57 116.24 3i5j h LYS 469 Ca 0.29 -0.14 0.14 0.00 -2.18 0.00 0.00 60.65 58.76 3i5j h LYS 469 Cb -0.06 -0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 30.48 3i5j h LYS 469 CO -0.06 0.61 0.61 -0.92 -1.08 0.00 0.00 179.45 178.61 3i5j h TYR 470 N 0.14 1.03 0.00 -1.35 3.20 -0.87 -0.92 116.97 118.19 3i5j h TYR 470 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3i5j h TYR 470 Cb 0.44 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3i5j h TYR 470 CO 0.04 0.38 0.00 -1.33 -1.64 0.00 0.00 178.16 175.61 3i5j n MET 471 N -4.61 0.46 -0.07 1.82 2.81 -0.09 -4.31 117.12 113.13 3i5j n MET 471 Ca 0.19 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3i5j n MET 471 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 3i5j n MET 471 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i5j n GLY 472 N 0.14 0.52 3.73 3.03 0.00 -0.35 -2.90 105.19 109.37 3i5j n GLY 472 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3i5j n GLY 472 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5j s PHE 473 N -2.14 3.12 -0.90 1.61 0.08 -1.16 -4.91 117.98 113.68 3i5j s PHE 473 Ca 0.00 0.89 0.12 0.00 0.12 0.00 0.00 56.93 58.05 3i5j s PHE 473 Cb 0.00 -3.80 -0.05 0.00 -0.57 0.00 0.00 43.02 38.61 3i5j s PHE 473 CO 0.00 -2.77 0.63 1.04 -0.10 0.00 0.00 175.22 174.02 3i5j n GLN 474 N 3.38 2.41 -3.88 0.44 6.02 -1.26 -4.75 117.38 119.74 3i5j n GLN 474 Ca 0.10 -0.43 -0.09 0.00 -0.01 0.00 0.00 57.00 56.58 3i5j n GLN 474 Cb 0.40 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.52 3i5j n GLN 474 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i5j s SER 475 N -1.73 -0.18 0.34 1.08 1.04 -1.26 -5.04 113.70 107.95 3i5j s SER 475 Ca 0.08 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.86 3i5j s SER 475 Cb 0.09 0.61 0.61 0.00 0.10 0.00 0.00 66.02 67.44 3i5j s SER 475 CO 0.36 -1.16 1.83 -0.29 0.98 0.00 0.00 173.24 174.97 3i5j h ILE 476 N 2.19 1.22 0.00 -1.02 2.10 -1.98 -2.58 117.51 117.44 3i5j h ILE 476 Ca -0.25 -1.02 -0.02 0.00 1.08 0.00 0.00 64.86 64.65 3i5j h ILE 476 Cb 1.25 1.27 -0.00 0.00 -1.09 0.00 0.00 36.82 38.25 3i5j h ILE 476 CO 0.33 0.32 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.31 3i5j h GLU 477 N 0.32 0.00 0.00 2.19 3.07 -2.03 -3.05 114.58 115.09 3i5j h GLU 477 Ca 0.06 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.85 3i5j h GLU 477 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3i5j h GLU 477 CO 0.03 0.09 -0.32 0.93 -1.40 0.00 0.00 179.01 178.34 3i5j h GLU 478 N 0.00 0.00 -6.86 2.33 5.08 -1.83 -3.44 114.58 109.85 3i5j h GLU 478 Ca -0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 3i5j h GLU 478 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3i5j h GLU 478 CO 0.01 0.32 0.38 -1.64 -1.00 0.00 0.00 179.01 177.08 3i5j s MET 479 N -3.54 4.56 0.59 2.33 -1.94 -1.15 -4.50 119.30 115.64 3i5j s MET 479 Ca 0.01 1.48 -0.19 0.00 -1.71 0.00 0.00 55.69 55.28 3i5j s MET 479 Cb 0.10 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.01 3i5j s MET 479 CO 0.67 0.22 1.23 0.20 -0.01 0.00 0.00 175.02 177.33 3i5j s GLY 480 N -1.40 2.77 0.21 -0.03 0.00 -0.05 -4.92 107.32 103.90 3i5j s GLY 480 Ca 0.49 1.06 0.02 0.00 0.00 0.00 0.00 44.72 46.29 3i5j s GLY 480 CO 0.29 1.47 0.03 0.54 0.00 0.00 0.00 173.10 175.43 3i5j s LYS 481 N -3.29 1.23 0.25 2.90 1.02 -1.26 -2.95 119.74 117.63 3i5j s LYS 481 Ca 0.78 -1.62 -0.31 0.00 0.02 0.00 0.00 55.97 54.83 3i5j s LYS 481 Cb -0.32 -0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 36.54 3i5j s LYS 481 CO 0.35 -0.17 1.49 -3.47 -0.92 0.00 0.00 175.35 172.62 3i5j n ASP 482 N -0.33 3.14 0.05 2.83 2.03 -1.26 -3.19 116.55 119.82 3i5j n ASP 482 Ca -0.04 1.14 0.09 0.00 0.52 0.00 0.00 54.79 56.49 3i5j n ASP 482 Cb 0.64 -1.48 0.53 0.00 -0.72 0.00 0.00 41.12 40.09 3i5j n ASP 482 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i5j h ALA 483 N 4.61 1.94 -0.30 -1.67 0.00 -0.69 -2.02 119.26 121.14 3i5j h ALA 483 Ca -0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3i5j h ALA 483 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3i5j h ALA 483 CO 0.79 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.76 3i5j n HIS 484 N -4.48 1.08 -4.27 0.00 8.25 -1.26 -4.78 115.22 109.76 3i5j n HIS 484 Ca 0.04 -0.91 -0.35 0.00 -0.26 0.00 0.00 57.72 56.24 3i5j n HIS 484 Cb 0.20 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.90 3i5j n HIS 484 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3i5j n ASP 485 N -0.45 -1.53 -0.13 0.41 8.00 -0.76 -0.88 116.55 121.21 3i5j n ASP 485 Ca 0.23 -1.12 -0.02 0.00 0.71 0.00 0.00 54.79 54.59 3i5j n ASP 485 Cb 0.94 -2.29 -0.01 0.00 -0.02 0.00 0.00 41.12 39.74 3i5j n ASP 485 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i5j n PHE 486 N -4.35 0.00 0.30 1.24 3.01 -1.26 -4.84 117.46 111.57 3i5j n PHE 486 Ca -0.07 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.58 3i5j n PHE 486 Cb 0.56 -1.26 0.96 0.00 -0.01 0.00 0.00 39.48 39.72 3i5j n PHE 486 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i5j h ALA 487 N 0.00 1.15 -0.08 4.37 0.00 -1.42 -1.63 119.26 121.64 3i5j h ALA 487 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i5j h ALA 487 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i5j h ALA 487 CO 0.05 0.04 -0.05 0.11 0.00 0.00 0.00 179.25 179.40 3i5j h TRP 488 N 0.00 0.12 -0.73 0.00 5.08 -1.88 -1.94 115.95 116.60 3i5j h TRP 488 Ca -0.00 -0.00 0.19 0.00 1.08 0.00 0.00 58.89 60.15 3i5j h TRP 488 Cb 0.18 -0.04 -0.04 0.00 -3.00 0.00 0.00 29.16 26.26 3i5j h TRP 488 CO 0.00 0.17 0.51 0.00 -1.28 0.00 0.00 178.44 177.84 3i5j h ALA 489 N 1.84 2.47 -0.10 0.11 0.00 -1.70 -0.59 119.26 121.29 3i5j h ALA 489 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3i5j h ALA 489 Cb 0.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3i5j h ALA 489 CO 0.01 -0.68 -0.13 -0.44 0.00 0.00 0.00 179.25 178.01 3i5j h ASP 490 N 0.15 0.14 0.72 0.00 3.32 -1.52 -1.63 116.42 117.60 3i5j h ASP 490 Ca 0.36 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3i5j h ASP 490 Cb 1.19 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3i5j h ASP 490 CO -0.05 0.30 0.00 0.29 -1.72 0.00 0.00 179.24 178.05 3i5j n LYS 491 N -4.31 0.02 0.00 3.56 4.76 -0.23 -5.17 118.16 116.79 3i5j n LYS 491 Ca -0.01 0.13 0.13 0.00 -2.87 0.00 0.00 58.31 55.69 3i5j n LYS 491 Cb 0.25 -1.50 0.33 0.00 -1.84 0.00 0.00 35.03 32.27 3i5j n LYS 491 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03