#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjj s LYS 2 N 0.00 3.77 0.19 2.12 1.02 -1.26 -2.84 119.74 122.75 1xjj s LYS 2 Ca 0.00 1.46 -0.12 0.00 0.02 0.00 0.00 55.97 57.33 1xjj s LYS 2 Cb 0.00 -2.17 0.12 0.00 -0.52 0.00 0.00 37.83 35.26 1xjj s LYS 2 CO 0.00 -0.47 1.85 1.25 -0.92 0.00 0.00 175.35 177.06 1xjj h LEU 3 N 1.67 0.79 -2.06 3.17 6.46 -1.89 -0.35 115.31 123.10 1xjj h LEU 3 Ca -0.49 -0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.30 1xjj h LEU 3 Cb 1.23 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1xjj h LEU 3 CO 0.59 0.59 0.21 0.77 -0.62 0.00 0.00 178.44 179.99 1xjj h SER 4 N 0.91 0.00 0.53 1.25 4.64 -1.97 0.26 113.55 119.17 1xjj h SER 4 Ca 0.24 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.27 1xjj h SER 4 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xjj h SER 4 CO -0.05 0.00 -1.38 0.44 -0.87 0.00 0.00 176.83 174.97 1xjj h ASP 5 N 0.00 0.43 -0.63 4.97 3.32 -1.49 -2.55 116.42 120.47 1xjj h ASP 5 Ca 0.13 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1xjj h ASP 5 Cb 0.55 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1xjj h ASP 5 CO -0.00 1.41 0.39 0.25 -1.72 0.00 0.00 179.24 179.57 1xjj h LEU 6 N 0.07 0.74 -0.51 1.55 5.85 0.10 -2.17 115.31 120.95 1xjj h LEU 6 Ca -0.19 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1xjj h LEU 6 Cb 2.00 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.78 1xjj h LEU 6 CO 0.19 0.57 0.16 0.40 -0.34 0.00 0.00 178.44 179.43 1xjj h ILE 7 N 0.85 0.80 0.00 4.05 2.04 -0.56 -0.06 117.51 124.62 1xjj h ILE 7 Ca 0.23 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 1xjj h ILE 7 Cb -0.04 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1xjj h ILE 7 CO -0.04 0.06 -0.07 0.28 0.00 0.00 0.00 178.15 178.37 1xjj h SER 8 N 0.33 0.00 0.53 1.72 0.02 -1.22 0.52 113.55 115.45 1xjj h SER 8 Ca 0.25 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.12 1xjj h SER 8 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1xjj h SER 8 CO -0.27 0.07 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.03 1xjj h ARG 9 N 0.00 0.00 0.00 3.45 2.43 -0.37 -3.37 114.38 116.53 1xjj h ARG 9 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xjj h ARG 9 Cb 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1xjj h ARG 9 CO 0.01 0.37 -1.29 0.91 -1.51 0.00 0.00 179.97 178.46 1xjj n TRP 10 N -3.84 0.00 0.29 2.20 7.02 -0.18 -4.71 117.44 118.21 1xjj n TRP 10 Ca -0.01 0.00 0.16 0.00 -1.02 0.00 0.00 57.50 56.62 1xjj n TRP 10 Cb 0.44 -0.15 0.90 0.00 -2.42 0.00 0.00 31.31 30.08 1xjj n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjj h ILE 11 N 0.00 0.46 -0.09 -0.99 2.10 -0.21 -2.22 117.51 116.55 1xjj h ILE 11 Ca -0.01 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.77 1xjj h ILE 11 Cb 0.33 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1xjj h ILE 11 CO 0.00 0.03 0.00 0.47 -1.08 0.00 0.00 178.15 177.57 1xjj n ASP 12 N -3.67 2.19 -4.63 2.19 8.00 -1.26 -4.59 116.55 114.78 1xjj n ASP 12 Ca -0.03 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.45 1xjj n ASP 12 Cb 0.13 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1xjj n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjj s VAL 13 N -0.98 3.89 0.27 2.53 1.01 -0.84 -4.98 120.40 121.30 1xjj s VAL 13 Ca 0.16 1.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1xjj s VAL 13 Cb 0.10 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 1xjj s VAL 13 CO 0.15 -0.38 1.01 -0.70 0.00 0.00 0.00 175.10 175.18 1xjj s GLU 14 N 4.46 4.74 0.37 2.72 2.12 -1.26 -4.99 118.70 126.85 1xjj s GLU 14 Ca 0.65 1.61 -0.26 0.00 0.36 0.00 0.00 54.97 57.33 1xjj s GLU 14 Cb -0.21 -3.20 -0.12 0.00 0.26 0.00 0.00 34.13 30.86 1xjj s GLU 14 CO 0.27 0.36 1.01 -2.30 -0.54 0.00 0.00 175.26 174.05 1xjj n PRO 15 N 1.28 1.37 -0.67 4.30 -0.02 -1.26 -4.94 135.00 135.05 1xjj n PRO 15 Ca -0.01 0.49 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1xjj n PRO 15 Cb 0.46 -1.97 0.17 0.00 -0.02 0.00 0.00 33.50 32.15 1xjj n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xjj n SER 16 N 0.82 -1.26 -0.21 2.55 3.41 -1.26 -4.65 113.62 113.03 1xjj n SER 16 Ca 0.09 0.19 0.18 0.00 -0.26 0.00 0.00 58.87 59.07 1xjj n SER 16 Cb 0.36 -1.27 0.52 0.00 -0.26 0.00 0.00 64.21 63.56 1xjj n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xjj h LYS 17 N -1.98 0.39 -0.16 4.33 1.57 -1.99 0.12 116.57 118.83 1xjj h LYS 17 Ca -0.49 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1xjj h LYS 17 Cb 1.30 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1xjj h LYS 17 CO 0.40 0.25 -0.20 -0.97 -0.57 0.00 0.00 179.45 178.36 1xjj h ASN 18 N 0.40 0.46 -0.63 0.86 -1.24 -1.97 -2.79 115.58 110.67 1xjj h ASN 18 Ca 0.42 -0.50 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 1xjj h ASN 18 Cb 1.04 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.93 1xjj h ASN 18 CO -0.14 0.87 0.31 0.00 -1.29 0.00 0.00 177.43 177.18 1xjj h ALA 19 N 0.60 0.82 -0.38 1.57 0.00 -1.49 -2.82 119.26 117.56 1xjj h ALA 19 Ca 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xjj h ALA 19 Cb 0.76 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1xjj h ALA 19 CO 0.05 0.37 0.13 1.96 0.00 0.00 0.00 179.25 181.77 1xjj h GLN 20 N 0.87 0.54 -0.01 0.00 4.20 -0.84 -1.26 115.11 118.62 1xjj h GLN 20 Ca 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1xjj h GLN 20 Cb 0.11 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1xjj h GLN 20 CO -0.03 0.47 0.00 0.82 -0.67 0.00 0.00 178.83 179.42 1xjj h ILE 21 N 0.54 1.15 -0.42 2.54 2.04 -1.27 -0.93 117.51 121.16 1xjj h ILE 21 Ca 0.13 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1xjj h ILE 21 Cb 0.14 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1xjj h ILE 21 CO -0.01 0.11 0.26 0.40 0.00 0.00 0.00 178.15 178.91 1xjj h ILE 22 N -0.16 1.07 -0.19 -0.67 2.04 -1.25 -0.06 117.51 118.29 1xjj h ILE 22 Ca 0.00 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xjj h ILE 22 Cb 0.18 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1xjj h ILE 22 CO -0.00 0.10 0.04 -0.07 0.00 0.00 0.00 178.15 178.22 1xjj h LEU 23 N 0.52 0.03 -0.66 1.44 3.38 -1.16 0.99 115.31 119.86 1xjj h LEU 23 Ca 0.16 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1xjj h LEU 23 Cb -0.02 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1xjj h LEU 23 CO -0.06 0.04 0.34 0.03 0.09 0.00 0.00 178.44 178.89 1xjj h ARG 24 N 0.12 0.92 -0.30 1.13 3.08 -0.97 0.48 114.38 118.85 1xjj h ARG 24 Ca 0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1xjj h ARG 24 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1xjj h ARG 24 CO -0.10 0.71 0.15 0.22 -1.07 0.00 0.00 179.97 179.88 1xjj h ASP 25 N 0.90 0.38 0.00 7.04 -0.00 -0.65 -3.41 116.42 120.68 1xjj h ASP 25 Ca 0.23 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1xjj h ASP 25 Cb 0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 39.30 1xjj h ASP 25 CO -0.03 0.38 -0.77 0.54 -0.00 0.00 0.00 179.24 179.36 1xjj n ARG 26 N -4.80 1.95 -0.10 0.28 1.74 0.31 -4.94 116.66 111.11 1xjj n ARG 26 Ca -0.02 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 1xjj n ARG 26 Cb 0.09 -0.88 -0.09 0.00 -1.02 0.00 0.00 32.46 30.56 1xjj n ARG 26 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xjj n TYR 27 N -1.32 0.00 -2.09 -1.55 4.02 0.15 -4.94 117.16 111.43 1xjj n TYR 27 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1xjj n TYR 27 Cb 0.13 -0.77 -0.03 0.00 -0.02 0.00 0.00 39.34 38.65 1xjj n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjj s PHE 28 N -2.40 2.94 0.53 -0.72 0.08 0.09 -4.80 117.98 113.71 1xjj s PHE 28 Ca -0.27 0.72 -0.22 0.00 0.12 0.00 0.00 56.93 57.28 1xjj s PHE 28 Cb 0.07 -3.78 -0.05 0.00 -0.57 0.00 0.00 43.02 38.69 1xjj s PHE 28 CO 0.45 -2.91 1.31 -1.64 -0.10 0.00 0.00 175.22 172.33 1xjj s MET 29 N 1.73 3.25 0.20 0.44 -1.94 -1.26 -4.86 119.30 116.86 1xjj s MET 29 Ca 0.67 2.12 0.10 0.00 -1.71 0.00 0.00 55.69 56.87 1xjj s MET 29 Cb -0.38 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.15 1xjj s MET 29 CO 0.30 -1.06 -0.20 0.15 -0.01 0.00 0.00 175.02 174.20 1xjj s LYS 30 N -2.89 1.42 0.72 2.03 1.02 -1.26 -0.49 119.74 120.29 1xjj s LYS 30 Ca 0.70 -1.53 -0.04 0.00 0.02 0.00 0.00 55.97 55.13 1xjj s LYS 30 Cb -0.37 -1.53 0.10 0.00 -0.52 0.00 0.00 37.83 35.51 1xjj s LYS 30 CO 0.44 0.31 1.00 0.16 -0.92 0.00 0.00 175.35 176.34 1xjj s ASP 31 N -2.89 4.47 0.28 2.83 1.47 0.20 -4.82 116.67 118.21 1xjj s ASP 31 Ca 0.20 -0.04 0.05 0.00 1.18 0.00 0.00 52.55 53.95 1xjj s ASP 31 Cb -0.06 -0.45 0.26 0.00 -0.34 0.00 0.00 42.92 42.33 1xjj s ASP 31 CO 0.09 -1.78 0.93 0.18 0.68 0.00 0.00 175.17 175.27 1xjj n LEU 32 N -2.88 0.12 -0.41 2.11 4.32 -1.26 -0.08 117.00 118.93 1xjj n LEU 32 Ca 0.12 0.34 0.04 0.00 -0.02 0.00 0.00 56.01 56.49 1xjj n LEU 32 Cb 0.60 -0.20 0.09 0.00 -1.62 0.00 0.00 43.42 42.29 1xjj n LEU 32 CO 0.45 -0.39 0.54 0.47 -1.22 0.00 0.00 177.39 177.25 1xjj n ASP 33 N -1.78 2.40 0.00 -1.43 8.00 -1.26 -4.97 116.55 117.52 1xjj n ASP 33 Ca -0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1xjj n ASP 33 Cb 0.54 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1xjj n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xjj n GLY 34 N 0.25 0.49 3.77 0.44 0.00 0.89 -5.04 105.19 105.99 1xjj n GLY 34 Ca 0.07 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1xjj n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjj s ASN 35 N -2.53 7.11 0.05 1.61 0.01 -1.25 -4.78 114.94 115.16 1xjj s ASN 35 Ca 0.00 1.32 -0.31 0.00 -0.71 0.00 0.00 52.86 53.16 1xjj s ASN 35 Cb 0.00 -2.40 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 1xjj s ASN 35 CO 0.00 0.15 1.49 -0.31 -1.51 0.00 0.00 177.10 176.92 1xjj s TYR 36 N -0.55 2.77 -0.69 2.20 2.02 -1.26 0.59 117.35 122.43 1xjj s TYR 36 Ca 0.33 0.66 0.23 0.00 -0.37 0.00 0.00 57.07 57.91 1xjj s TYR 36 Cb -0.20 -3.78 0.01 0.00 -0.40 0.00 0.00 41.96 37.59 1xjj s TYR 36 CO 0.20 -2.96 1.00 1.28 -1.57 0.00 0.00 175.55 173.50 1xjj n LEU 37 N 5.17 0.64 -3.98 -1.29 4.77 0.36 -4.87 117.00 117.79 1xjj n LEU 37 Ca 0.14 -0.12 -0.16 0.00 -0.03 0.00 0.00 56.01 55.84 1xjj n LEU 37 Cb 0.42 -0.08 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1xjj n LEU 37 CO 0.60 0.09 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.74 1xjj s GLU 38 N -3.16 0.49 0.00 3.23 2.02 -1.15 -4.93 118.70 115.20 1xjj s GLU 38 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1xjj s GLU 38 Cb 0.15 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.94 1xjj s GLU 38 CO 0.81 0.12 0.01 0.25 0.02 0.00 0.00 175.26 176.48 1xjj n THR 39 N 2.73 0.00 -4.00 3.63 -2.24 -1.26 -4.64 114.28 108.50 1xjj n THR 39 Ca -0.14 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1xjj n THR 39 Cb 0.58 1.06 -0.09 0.00 -2.10 0.00 0.00 70.33 69.77 1xjj n THR 39 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xjj s LYS 40 N -0.30 0.65 0.26 -0.78 -2.85 -1.26 -5.04 119.74 110.41 1xjj s LYS 40 Ca 0.00 -1.05 -0.02 0.00 -1.00 0.00 0.00 55.97 53.90 1xjj s LYS 40 Cb 0.00 0.24 0.45 0.00 -2.06 0.00 0.00 37.83 36.46 1xjj s LYS 40 CO 0.00 -0.15 1.84 2.35 0.10 0.00 0.00 175.35 179.49 1xjj h TRP 41 N 3.22 1.05 -0.80 1.78 2.91 -2.00 -0.21 115.95 121.90 1xjj h TRP 41 Ca -0.34 0.03 0.17 0.00 1.13 0.00 0.00 58.89 59.88 1xjj h TRP 41 Cb 1.17 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 29.43 1xjj h TRP 41 CO 0.51 0.46 0.53 1.05 -1.03 0.00 0.00 178.44 179.97 1xjj h GLU 42 N 0.96 0.39 -0.36 2.65 4.11 -1.97 0.16 114.58 120.52 1xjj h GLU 42 Ca 0.44 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.82 1xjj h GLU 42 Cb 0.35 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1xjj h GLU 42 CO -0.23 0.26 0.14 -0.44 0.07 0.00 0.00 179.01 178.80 1xjj h ASP 43 N 0.40 0.51 0.17 3.06 3.32 -1.45 -1.27 116.42 121.16 1xjj h ASP 43 Ca 0.40 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1xjj h ASP 43 Cb 0.96 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1xjj h ASP 43 CO -0.13 0.55 -0.08 0.58 -1.72 0.00 0.00 179.24 178.43 1xjj h VAL 44 N 0.44 0.87 -0.85 -1.35 2.07 -0.88 -2.57 116.25 113.98 1xjj h VAL 44 Ca 0.12 -0.17 0.16 0.00 0.82 0.00 0.00 66.70 67.63 1xjj h VAL 44 Cb 0.21 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1xjj h VAL 44 CO -0.01 0.04 0.56 0.00 0.02 0.00 0.00 177.57 178.18 1xjj h ALA 45 N 0.50 2.04 -0.05 1.67 0.00 -0.72 -1.47 119.26 121.23 1xjj h ALA 45 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1xjj h ALA 45 Cb 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xjj h ALA 45 CO 0.04 -0.29 -0.05 -0.09 0.00 0.00 0.00 179.25 178.86 1xjj h ARG 46 N 0.51 0.13 -0.19 0.00 9.65 -1.00 -1.83 114.38 121.65 1xjj h ARG 46 Ca 0.43 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1xjj h ARG 46 Cb 0.91 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.48 1xjj h ARG 46 CO -0.17 0.57 0.10 -0.09 2.80 0.00 0.00 179.97 183.19 1xjj h ARG 47 N -0.31 0.26 0.28 0.20 2.43 -1.22 -1.76 114.38 114.25 1xjj h ARG 47 Ca 0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1xjj h ARG 47 Cb 0.55 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1xjj h ARG 47 CO 0.01 0.25 -0.13 0.28 -1.51 0.00 0.00 179.97 178.86 1xjj h VAL 48 N 0.20 0.76 -0.78 0.20 2.07 -1.32 -1.50 116.25 115.87 1xjj h VAL 48 Ca 0.07 -0.53 0.15 0.00 0.82 0.00 0.00 66.70 67.20 1xjj h VAL 48 Cb 0.06 1.04 -0.15 0.00 -1.52 0.00 0.00 31.29 30.73 1xjj h VAL 48 CO -0.01 0.11 -0.25 0.00 0.02 0.00 0.00 177.57 177.44 1xjj h ALA 49 N -0.06 0.38 -0.28 1.67 0.00 -1.37 -1.29 119.26 118.32 1xjj h ALA 49 Ca -0.04 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1xjj h ALA 49 Cb 0.47 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1xjj h ALA 49 CO 0.06 -0.48 -0.03 -0.09 0.00 0.00 0.00 179.25 178.71 1xjj h ARG 50 N -0.03 0.51 -0.45 0.00 2.43 -1.13 -0.02 114.38 115.69 1xjj h ARG 50 Ca 0.35 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1xjj h ARG 50 Cb 0.58 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xjj h ARG 50 CO -0.82 0.69 0.14 0.28 -1.51 0.00 0.00 179.97 178.76 1xjj h VAL 51 N 0.28 1.22 -0.06 0.20 2.07 -1.06 -1.99 116.25 116.91 1xjj h VAL 51 Ca 0.07 -0.74 -0.16 0.00 0.82 0.00 0.00 66.70 66.69 1xjj h VAL 51 Cb 0.48 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1xjj h VAL 51 CO 0.02 0.27 -0.66 0.58 0.02 0.00 0.00 177.57 177.80 1xjj h VAL 52 N 0.60 1.40 0.00 2.57 2.07 -1.14 -2.71 116.25 119.04 1xjj h VAL 52 Ca 0.15 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.54 1xjj h VAL 52 Cb 0.27 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1xjj h VAL 52 CO -0.00 0.62 -0.12 0.00 0.02 0.00 0.00 177.57 178.08 1xjj h ALA 53 N 1.12 1.77 -0.48 1.67 0.00 -0.88 -2.19 119.26 120.27 1xjj h ALA 53 Ca -0.01 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1xjj h ALA 53 Cb 1.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1xjj h ALA 53 CO 0.10 0.15 0.34 1.15 0.00 0.00 0.00 179.25 181.00 1xjj h THR 54 N 0.00 0.78 -0.10 0.00 2.02 -1.01 -0.98 112.91 113.62 1xjj h THR 54 Ca -0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1xjj h THR 54 Cb 0.22 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1xjj h THR 54 CO 0.02 0.01 0.35 0.00 0.37 0.00 0.00 175.52 176.27 1xjj h ALA 55 N 1.76 1.53 0.00 6.16 0.00 -1.52 -1.16 119.26 126.03 1xjj h ALA 55 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xjj h ALA 55 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xjj h ALA 55 CO -0.01 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.22 1xjj n GLU 56 N -3.11 0.04 -0.07 0.00 -0.58 -0.37 -1.98 120.64 114.57 1xjj n GLU 56 Ca 0.00 0.11 0.15 0.00 -0.42 0.00 0.00 57.16 57.00 1xjj n GLU 56 Cb 0.43 -1.50 0.55 0.00 -0.57 0.00 0.00 31.44 30.35 1xjj n GLU 56 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1xjj h LEU 57 N 0.00 0.27 -1.76 -4.62 5.85 -1.41 -2.53 115.31 111.12 1xjj h LEU 57 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xjj h LEU 57 Cb 0.36 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1xjj h LEU 57 CO 0.00 0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1xjj n LEU 58 N -4.45 2.60 -4.62 2.25 4.77 -0.84 -4.91 117.00 111.80 1xjj n LEU 58 Ca 0.10 -1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 54.45 1xjj n LEU 58 Cb 0.46 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1xjj n LEU 58 CO 0.34 0.60 1.12 0.21 -1.33 0.00 0.00 177.39 178.34 1xjj s ASN 59 N -1.28 6.62 0.41 -1.43 3.84 -0.95 -4.89 114.94 117.26 1xjj s ASN 59 Ca 0.35 0.98 0.29 0.00 0.21 0.00 0.00 52.86 54.69 1xjj s ASN 59 Cb 0.19 -2.54 1.13 0.00 -0.55 0.00 0.00 41.25 39.47 1xjj s ASN 59 CO 0.26 -1.17 1.84 1.55 -2.79 0.00 0.00 177.10 176.80 1xjj h PRO 60 N 9.48 0.00 0.00 0.43 0.13 -1.88 -2.82 132.00 137.34 1xjj h PRO 60 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1xjj h PRO 60 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1xjj h PRO 60 CO 1.06 0.00 -0.45 0.77 -0.23 0.00 0.00 178.00 179.15 1xjj h SER 61 N 0.00 0.00 -3.56 1.44 0.02 -1.90 -3.43 113.55 106.11 1xjj h SER 61 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1xjj h SER 61 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1xjj h SER 61 CO 0.00 0.45 0.23 -0.31 -1.14 0.00 0.00 176.83 176.06 1xjj s TYR 62 N -3.82 3.89 0.32 3.45 4.12 -1.07 -5.06 117.35 119.18 1xjj s TYR 62 Ca -0.01 1.69 -0.27 0.00 0.02 0.00 0.00 57.07 58.49 1xjj s TYR 62 Cb 0.13 -2.85 -0.10 0.00 -1.52 0.00 0.00 41.96 37.62 1xjj s TYR 62 CO 0.72 0.44 0.98 0.15 0.02 0.00 0.00 175.55 177.86 1xjj s LYS 63 N -0.87 4.56 -0.23 -0.62 1.02 -1.26 -4.94 119.74 117.40 1xjj s LYS 63 Ca 0.38 1.44 -0.28 0.00 0.02 0.00 0.00 55.97 57.53 1xjj s LYS 63 Cb -0.23 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1xjj s LYS 63 CO 0.27 0.24 2.24 1.17 -0.92 0.00 0.00 175.35 178.35 1xjj n LYS 64 N 0.67 1.93 0.00 1.68 3.00 -1.26 -1.44 118.16 122.74 1xjj n LYS 64 Ca 0.01 0.51 0.00 0.00 -0.00 0.00 0.00 58.31 58.84 1xjj n LYS 64 Cb 0.49 -3.25 0.00 0.00 0.00 0.00 0.00 35.03 32.27 1xjj n LYS 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1xjj n ASN 65 N 11.90 0.00 -0.00 3.14 2.85 -1.26 -4.91 115.26 126.99 1xjj n ASN 65 Ca 0.30 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.82 1xjj n ASN 65 Cb 0.45 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.42 1xjj n ASN 65 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1xjj n GLU 66 N 0.00 3.20 -0.12 1.20 0.28 -0.52 -4.77 120.64 119.91 1xjj n GLU 66 Ca 0.00 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.16 56.94 1xjj n GLU 66 Cb 0.00 -0.99 0.02 0.00 1.43 0.00 0.00 31.44 31.90 1xjj n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1xjj h LYS 67 N 0.00 0.02 -0.65 3.44 1.57 -1.84 -0.83 116.57 118.29 1xjj h LYS 67 Ca 0.00 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1xjj h LYS 67 Cb 0.26 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1xjj h LYS 67 CO 0.00 0.01 0.33 1.25 -0.57 0.00 0.00 179.45 180.47 1xjj h LEU 68 N 0.02 0.45 -0.14 2.94 5.85 -1.89 0.27 115.31 122.80 1xjj h LEU 68 Ca 0.20 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1xjj h LEU 68 Cb 0.30 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xjj h LEU 68 CO -0.41 0.28 0.09 0.44 -0.34 0.00 0.00 178.44 178.51 1xjj h ASP 69 N 0.59 0.17 -0.54 1.25 3.32 -1.53 -1.22 116.42 118.45 1xjj h ASP 69 Ca 0.30 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1xjj h ASP 69 Cb 0.26 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1xjj h ASP 69 CO -0.22 0.16 0.03 0.03 -1.72 0.00 0.00 179.24 177.52 1xjj h ARG 70 N 0.17 0.94 -0.07 3.56 2.47 -0.83 -1.62 114.38 119.00 1xjj h ARG 70 Ca 0.05 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1xjj h ARG 70 Cb 0.01 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.24 1xjj h ARG 70 CO -0.01 0.93 0.03 0.82 0.56 0.00 0.00 179.97 182.30 1xjj h ILE 71 N 0.82 1.11 -0.03 2.04 2.04 -0.38 -1.85 117.51 121.26 1xjj h ILE 71 Ca 0.16 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1xjj h ILE 71 Cb 0.49 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1xjj h ILE 71 CO 0.02 0.10 -0.14 0.11 0.00 0.00 0.00 178.15 178.24 1xjj h LYS 72 N -0.02 0.05 -0.45 2.37 1.57 -1.10 0.22 116.57 119.21 1xjj h LYS 72 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1xjj h LYS 72 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1xjj h LYS 72 CO -0.00 0.19 -0.21 0.93 -0.57 0.00 0.00 179.45 179.79 1xjj h GLU 73 N 0.05 0.91 -0.01 3.15 5.08 -0.82 -0.82 114.58 122.12 1xjj h GLU 73 Ca 0.01 -0.38 -0.15 0.00 -1.00 0.00 0.00 59.36 57.84 1xjj h GLU 73 Cb 0.28 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1xjj h GLU 73 CO 0.02 1.03 -0.59 -1.49 -1.00 0.00 0.00 179.01 176.98 1xjj h TRP 74 N 0.79 0.62 -0.79 4.33 -0.00 -0.44 -1.67 115.95 118.79 1xjj h TRP 74 Ca 0.11 -0.33 0.13 0.00 -0.00 0.00 0.00 58.89 58.80 1xjj h TRP 74 Cb 0.76 -0.07 -0.09 0.00 -0.00 0.00 0.00 29.16 29.76 1xjj h TRP 74 CO 0.05 1.14 0.39 1.49 -0.00 0.00 0.00 178.44 181.51 1xjj h GLU 75 N -0.08 0.57 -0.09 0.49 4.81 -0.58 0.26 114.58 119.96 1xjj h GLU 75 Ca -0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1xjj h GLU 75 Cb 1.30 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1xjj h GLU 75 CO 0.12 0.38 0.00 0.22 -0.73 0.00 0.00 179.01 179.00 1xjj h ASP 76 N 0.59 0.15 -0.70 1.04 3.58 -0.95 0.70 116.42 120.83 1xjj h ASP 76 Ca 0.42 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 1xjj h ASP 76 Cb 0.56 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 1xjj h ASP 76 CO -0.34 0.42 0.30 -0.29 -2.88 0.00 0.00 179.24 176.45 1xjj h ILE 77 N -0.12 1.24 -0.07 2.25 6.09 -0.95 -1.36 117.51 124.59 1xjj h ILE 77 Ca 0.02 -0.73 0.00 0.00 -1.37 0.00 0.00 64.86 62.78 1xjj h ILE 77 Cb 0.35 0.42 -0.00 0.00 0.47 0.00 0.00 36.82 38.05 1xjj h ILE 77 CO 0.00 0.30 0.04 -0.26 -3.07 0.00 0.00 178.15 175.16 1xjj h PHE 78 N 0.99 0.09 -0.45 2.19 0.04 -0.79 -2.40 116.94 116.60 1xjj h PHE 78 Ca 0.24 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.06 1xjj h PHE 78 Cb 0.18 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.25 1xjj h PHE 78 CO 0.01 0.08 0.17 0.35 -0.60 0.00 0.00 178.31 178.32 1xjj h PHE 79 N 0.07 0.30 -0.03 -0.55 3.57 -0.61 -2.03 116.94 117.65 1xjj h PHE 79 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xjj h PHE 79 Cb 0.02 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1xjj h PHE 79 CO -0.06 0.11 0.02 0.00 -2.23 0.00 0.00 178.31 176.14 1xjj h ARG 80 N 0.34 0.05 -0.76 1.11 3.08 -1.00 0.20 114.38 117.40 1xjj h ARG 80 Ca 0.21 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1xjj h ARG 80 Cb 0.20 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1xjj h ARG 80 CO -0.21 0.16 0.35 -0.39 -1.07 0.00 0.00 179.97 178.81 1xjj h VAL 81 N -0.07 1.24 -0.21 2.04 -1.51 -1.33 -0.52 116.25 115.89 1xjj h VAL 81 Ca 0.01 -0.70 -0.02 0.00 -1.23 0.00 0.00 66.70 64.76 1xjj h VAL 81 Cb 0.13 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 29.57 1xjj h VAL 81 CO -0.00 0.30 0.07 -0.07 -1.23 0.00 0.00 177.57 176.63 1xjj h LEU 82 N 1.08 0.31 -0.74 4.19 3.38 -1.31 0.32 115.31 122.55 1xjj h LEU 82 Ca 0.26 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1xjj h LEU 82 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1xjj h LEU 82 CO -0.03 0.44 -0.09 0.50 0.09 0.00 0.00 178.44 179.35 1xjj h LYS 83 N 0.17 0.87 0.00 1.13 3.64 -0.75 0.13 116.57 121.76 1xjj h LYS 83 Ca 0.07 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1xjj h LYS 83 Cb 0.24 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1xjj h LYS 83 CO -0.00 0.93 0.00 0.00 -2.27 0.00 0.00 179.45 178.10 1xjj n ALA 84 N -2.49 1.65 -2.88 5.00 0.00 -0.22 -4.80 120.51 116.77 1xjj n ALA 84 Ca 0.02 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.20 1xjj n ALA 84 Cb 0.37 -1.24 0.03 0.00 0.00 0.00 0.00 19.45 18.61 1xjj n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xjj n ARG 85 N -1.54 -4.22 0.10 0.00 1.74 0.03 -4.67 116.66 108.10 1xjj n ARG 85 Ca 0.03 0.92 0.02 0.00 -0.77 0.00 0.00 57.85 58.05 1xjj n ARG 85 Cb 0.17 -5.70 -0.01 0.00 -1.02 0.00 0.00 32.46 25.89 1xjj n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xjj h LEU 86 N -1.11 0.00 -7.53 0.55 3.38 -1.60 -3.42 115.31 105.58 1xjj h LEU 86 Ca -0.52 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.27 1xjj h LEU 86 Cb 1.36 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.84 1xjj h LEU 86 CO 0.56 0.52 -0.52 0.12 0.09 0.00 0.00 178.44 179.21 1xjj s PHE 87 N -2.96 -0.20 -0.02 1.13 5.36 -1.25 -0.59 117.98 119.45 1xjj s PHE 87 Ca 0.01 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 1xjj s PHE 87 Cb 0.08 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1xjj s PHE 87 CO 0.77 -0.11 0.00 0.42 -1.46 0.00 0.00 175.22 174.85 1xjj s ILE 88 N 0.24 0.14 0.86 3.12 1.01 -0.46 -4.27 121.20 121.82 1xjj s ILE 88 Ca -0.01 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1xjj s ILE 88 Cb -0.02 -0.22 0.11 0.00 0.01 0.00 0.00 42.46 42.33 1xjj s ILE 88 CO -0.01 0.12 1.11 -2.16 0.00 0.00 0.00 174.94 174.00 1xjj s PRO 89 N 0.89 1.59 0.77 2.79 0.04 -1.26 -0.86 135.00 138.96 1xjj s PRO 89 Ca -0.09 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 1xjj s PRO 89 Cb -0.12 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1xjj s PRO 89 CO -0.02 -1.95 1.07 0.27 0.04 0.00 0.00 177.00 176.42 1xjj n ASN 90 N -3.64 0.71 -0.35 6.66 2.04 0.61 -4.77 115.26 116.53 1xjj n ASN 90 Ca 0.07 0.62 0.08 0.00 -0.44 0.00 0.00 54.58 54.91 1xjj n ASN 90 Cb 0.57 -1.45 0.17 0.00 -2.53 0.00 0.00 39.78 36.54 1xjj n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xjj h SER 91 N -0.58 -0.81 -0.80 0.53 0.02 -1.95 -1.30 113.55 108.65 1xjj h SER 91 Ca -0.47 0.29 0.16 0.00 -0.84 0.00 0.00 61.79 60.93 1xjj h SER 91 Cb 1.31 0.58 -0.06 0.00 0.14 0.00 0.00 62.40 64.38 1xjj h SER 91 CO 0.46 -0.33 0.53 -0.65 -1.14 0.00 0.00 176.83 175.70 1xjj h PRO 92 N 0.00 0.43 -0.64 3.45 0.11 -1.88 0.17 132.00 133.64 1xjj h PRO 92 Ca 0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.51 1xjj h PRO 92 Cb 0.84 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1xjj h PRO 92 CO -0.99 0.28 0.10 1.15 -0.21 0.00 0.00 178.00 178.34 1xjj h THR 93 N 0.44 1.26 -0.20 -1.15 2.02 -1.32 -0.39 112.91 113.57 1xjj h THR 93 Ca 0.40 -1.02 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 1xjj h THR 93 Cb 0.91 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1xjj h THR 93 CO -0.14 0.38 -0.45 -0.07 0.37 0.00 0.00 175.52 175.61 1xjj h LEU 94 N 0.98 0.53 -0.09 2.58 3.38 -0.78 -2.40 115.31 119.51 1xjj h LEU 94 Ca 0.19 -0.25 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 1xjj h LEU 94 Cb 0.44 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xjj h LEU 94 CO 0.01 0.91 -0.85 -0.26 0.09 0.00 0.00 178.44 178.34 1xjj h PHE 95 N 0.40 1.03 -0.00 1.13 0.04 -0.63 -3.40 116.94 115.50 1xjj h PHE 95 Ca 0.03 -0.50 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1xjj h PHE 95 Cb 0.95 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1xjj h PHE 95 CO 0.03 1.33 -0.11 0.09 -0.60 0.00 0.00 178.31 179.05 1xjj n ASN 96 N -3.94 1.02 -4.69 2.17 3.02 -0.18 -4.93 115.26 107.73 1xjj n ASN 96 Ca -0.09 -1.01 -0.42 0.00 -0.03 0.00 0.00 54.58 53.03 1xjj n ASN 96 Cb 0.78 0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 40.33 1xjj n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjj s ALA 97 N -0.95 3.70 0.00 5.41 0.00 -0.90 -2.58 121.76 126.44 1xjj s ALA 97 Ca 0.05 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1xjj s ALA 97 Cb 0.05 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1xjj s ALA 97 CO 0.14 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1xjj n GLY 98 N 3.93 0.72 3.70 0.00 0.00 -1.26 -4.85 105.19 107.43 1xjj n GLY 98 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xjj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjj s LEU 99 N 0.00 4.35 0.00 0.99 1.43 -1.06 -1.90 118.68 122.48 1xjj s LEU 99 Ca 0.00 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1xjj s LEU 99 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1xjj s LEU 99 CO 0.00 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1xjj n GLY 100 N 3.70 3.21 3.84 -3.19 0.00 -1.26 -1.82 105.19 109.67 1xjj n GLY 100 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1xjj n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjj s VAL 101 N -2.78 4.89 0.16 1.61 1.01 -0.80 -4.70 120.40 119.79 1xjj s VAL 101 Ca 0.00 0.84 -0.34 0.00 0.00 0.00 0.00 61.98 62.48 1xjj s VAL 101 Cb 0.00 -3.75 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 1xjj s VAL 101 CO 0.00 0.34 1.53 0.29 0.00 0.00 0.00 175.10 177.26 1xjj n LYS 102 N 1.08 2.02 -0.31 2.72 4.01 -1.26 -4.88 118.16 121.55 1xjj n LYS 102 Ca -0.07 0.73 0.04 0.00 -0.51 0.00 0.00 58.31 58.49 1xjj n LYS 102 Cb 0.52 -2.47 0.18 0.00 -0.51 0.00 0.00 35.03 32.75 1xjj n LYS 102 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1xjj h HIS 103 N 5.61 0.91 0.00 2.13 3.86 -1.95 -0.26 115.15 125.45 1xjj h HIS 103 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1xjj h HIS 103 Cb 1.27 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1xjj h HIS 103 CO 0.62 0.37 0.00 -0.40 0.86 0.00 0.00 177.93 179.37 1xjj n ASP 104 N -4.72 0.00 0.00 2.45 5.68 -1.26 -1.95 116.55 116.75 1xjj n ASP 104 Ca 0.15 0.47 0.11 0.00 -0.50 0.00 0.00 54.79 55.02 1xjj n ASP 104 Cb 0.29 -0.48 -0.10 0.00 -1.14 0.00 0.00 41.12 39.70 1xjj n ASP 104 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xjj n LEU 105 N -1.48 0.57 0.00 -2.12 4.77 -0.11 -4.28 117.00 114.35 1xjj n LEU 105 Ca 0.01 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 1xjj n LEU 105 Cb 0.04 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1xjj n LEU 105 CO 0.03 0.11 -0.53 -0.07 -1.33 0.00 0.00 177.39 175.61 1xjj h LEU 106 N 0.00 0.17 -3.03 2.23 3.38 -1.40 -3.36 115.31 113.30 1xjj h LEU 106 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1xjj h LEU 106 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1xjj h LEU 106 CO 0.00 1.29 0.00 0.79 0.09 0.00 0.00 178.44 180.61 1xjj n TRP 107 N -3.24 0.32 -2.15 1.13 8.01 -1.24 -3.92 117.44 116.34 1xjj n TRP 107 Ca -0.20 -0.72 -0.33 0.00 -1.31 0.00 0.00 57.50 54.94 1xjj n TRP 107 Cb 1.04 -0.13 0.00 0.00 -2.01 0.00 0.00 31.31 30.21 1xjj n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjj s LYS 108 N -1.93 3.40 0.40 -0.99 -2.85 -1.26 -4.93 119.74 111.58 1xjj s LYS 108 Ca 0.23 1.27 -0.27 0.00 -1.00 0.00 0.00 55.97 56.20 1xjj s LYS 108 Cb 0.18 -2.04 -0.09 0.00 -2.06 0.00 0.00 37.83 33.82 1xjj s LYS 108 CO 0.06 -0.75 1.35 -2.14 0.10 0.00 0.00 175.35 173.97 1xjj s PRO 109 N -3.86 3.99 0.33 1.78 0.02 -1.26 -4.91 135.00 131.09 1xjj s PRO 109 Ca 0.65 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.96 1xjj s PRO 109 Cb -0.17 -2.81 0.59 0.00 0.02 0.00 0.00 34.50 32.13 1xjj s PRO 109 CO 0.33 -0.52 1.98 0.97 -0.33 0.00 0.00 177.00 179.43 1xjj h ILE 110 N 2.58 1.14 0.00 2.83 2.10 -1.98 -2.05 117.51 122.13 1xjj h ILE 110 Ca -0.50 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 65.12 1xjj h ILE 110 Cb 1.25 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1xjj h ILE 110 CO 0.63 0.17 0.00 -2.24 -1.08 0.00 0.00 178.15 175.63 1xjj h ASP 111 N 0.93 0.00 0.14 2.19 3.04 -1.99 -1.84 116.42 118.89 1xjj h ASP 111 Ca 0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.07 1xjj h ASP 111 Cb -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 1xjj h ASP 111 CO -0.07 0.00 -0.31 0.00 -2.04 0.00 0.00 179.24 176.81 1xjj n GLN 112 N -2.84 1.02 -2.43 4.15 6.02 -0.77 -4.94 117.38 117.58 1xjj n GLN 112 Ca -0.01 -0.70 -0.41 0.00 -0.01 0.00 0.00 57.00 55.87 1xjj n GLN 112 Cb 0.16 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 1xjj n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjj s MET 113 N -2.46 4.59 0.42 -1.09 -1.94 -0.69 -5.02 119.30 113.11 1xjj s MET 113 Ca 0.23 1.84 0.07 0.00 -1.71 0.00 0.00 55.69 56.12 1xjj s MET 113 Cb 0.19 -3.20 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1xjj s MET 113 CO 0.52 0.12 0.22 0.95 -0.01 0.00 0.00 175.02 176.83 1xjj s THR 114 N -0.90 2.31 0.18 2.05 -4.23 -1.26 -5.00 115.64 108.80 1xjj s THR 114 Ca 0.47 -1.63 -0.10 0.00 -1.18 0.00 0.00 61.69 59.24 1xjj s THR 114 Cb -0.32 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 70.66 1xjj s THR 114 CO 0.41 0.00 1.72 0.25 -0.54 0.00 0.00 174.62 176.45 1xjj h LEU 115 N 1.32 0.95 -1.34 4.79 5.85 -1.96 -2.43 115.31 122.48 1xjj h LEU 115 Ca -0.42 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.12 1xjj h LEU 115 Cb 1.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1xjj h LEU 115 CO 0.67 0.90 0.46 -0.33 -0.34 0.00 0.00 178.44 179.81 1xjj h GLU 116 N 0.94 0.84 -0.54 1.25 4.39 -1.99 -2.00 114.58 117.48 1xjj h GLU 116 Ca 0.21 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.91 1xjj h GLU 116 Cb 0.29 -0.19 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1xjj h GLU 116 CO -0.01 0.56 0.26 -0.44 -1.16 0.00 0.00 179.01 178.22 1xjj h ASP 117 N 0.86 0.36 -0.48 1.42 3.32 -1.83 -1.67 116.42 118.40 1xjj h ASP 117 Ca 0.27 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1xjj h ASP 117 Cb 0.03 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1xjj h ASP 117 CO -0.07 0.24 -0.14 1.88 -1.72 0.00 0.00 179.24 179.42 1xjj h TYR 118 N 0.50 1.09 -0.45 4.55 -1.99 -1.24 -2.10 116.97 117.33 1xjj h TYR 118 Ca 0.24 -0.23 -0.02 0.00 2.00 0.00 0.00 58.73 60.72 1xjj h TYR 118 Cb 0.18 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1xjj h TYR 118 CO -0.11 1.03 0.20 0.93 -0.00 0.00 0.00 178.16 180.20 1xjj h GLU 119 N 0.85 0.63 0.05 4.88 5.08 -1.11 -0.63 114.58 124.33 1xjj h GLU 119 Ca 0.13 -0.08 -0.23 0.00 -1.00 0.00 0.00 59.36 58.18 1xjj h GLU 119 Cb 0.70 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1xjj h GLU 119 CO 0.05 0.51 -1.03 1.49 -1.00 0.00 0.00 179.01 179.03 1xjj h GLU 120 N 0.63 0.27 0.63 2.33 4.57 -1.06 -1.86 114.58 120.09 1xjj h GLU 120 Ca 0.16 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1xjj h GLU 120 Cb 0.10 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1xjj h GLU 120 CO -0.02 1.09 -0.35 0.82 -1.18 0.00 0.00 179.01 179.37 1xjj h ILE 121 N 0.12 0.29 -1.05 2.32 2.04 -1.02 -1.17 117.51 119.04 1xjj h ILE 121 Ca -0.08 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.05 1xjj h ILE 121 Cb 1.71 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.98 1xjj h ILE 121 CO 0.17 0.00 0.68 0.22 0.00 0.00 0.00 178.15 179.22 1xjj h TYR 122 N -0.91 0.61 0.00 1.37 3.20 -1.05 -1.96 116.97 118.23 1xjj h TYR 122 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1xjj h TYR 122 Cb 0.72 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1xjj h TYR 122 CO -0.07 0.05 -0.89 0.54 -1.64 0.00 0.00 178.16 176.16 1xjj n ARG 123 N -4.60 0.41 -0.25 1.82 1.74 -0.71 -4.07 116.66 111.01 1xjj n ARG 123 Ca 0.25 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1xjj n ARG 123 Cb 0.91 -1.71 0.24 0.00 -1.02 0.00 0.00 32.46 30.88 1xjj n ARG 123 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xjj n SER 124 N -2.27 3.58 -4.70 0.55 3.41 -0.47 -4.93 113.62 108.79 1xjj n SER 124 Ca 0.02 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.22 1xjj n SER 124 Cb 0.48 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 1xjj n SER 124 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xjj s ARG 125 N -1.27 4.18 0.17 4.33 0.52 -1.19 -3.75 118.95 121.93 1xjj s ARG 125 Ca 0.41 2.44 0.03 0.00 -0.52 0.00 0.00 55.73 58.08 1xjj s ARG 125 Cb 0.23 -3.46 0.03 0.00 0.52 0.00 0.00 34.95 32.27 1xjj s ARG 125 CO 0.31 -0.74 0.23 0.27 0.02 0.00 0.00 175.30 175.39 1xjj n ASN 126 N 5.13 0.60 0.12 0.23 0.23 -0.76 -4.94 115.26 115.87 1xjj n ASN 126 Ca 0.16 -1.44 0.11 0.00 -0.53 0.00 0.00 54.58 52.89 1xjj n ASN 126 Cb 0.39 -0.12 0.48 0.00 -2.08 0.00 0.00 39.78 38.45 1xjj n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjj n HIS 127 N -1.37 0.74 1.25 -2.53 1.44 -1.26 -0.84 115.22 112.65 1xjj n HIS 127 Ca 0.05 0.30 0.13 0.00 -2.01 0.00 0.00 57.72 56.18 1xjj n HIS 127 Cb 0.17 -0.98 0.39 0.00 0.12 0.00 0.00 29.99 29.69 1xjj n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjj n LEU 128 N -2.18 1.93 -2.84 2.39 4.77 -1.26 -4.69 117.00 115.12 1xjj n LEU 128 Ca 0.02 -0.71 -0.26 0.00 -0.03 0.00 0.00 56.01 55.03 1xjj n LEU 128 Cb 0.21 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1xjj n LEU 128 CO 0.18 0.36 2.54 1.57 -1.33 0.00 0.00 177.39 180.70 1xjj n HIS 129 N 0.50 1.36 -3.78 -1.77 -0.00 -0.02 -4.86 115.22 106.66 1xjj n HIS 129 Ca 0.17 -2.26 -0.36 0.00 0.46 0.00 0.00 57.72 55.74 1xjj n HIS 129 Cb 0.40 -1.97 -0.12 0.00 -0.12 0.00 0.00 29.99 28.18 1xjj n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjj s MET 130 N 2.07 3.68 -0.05 1.57 0.00 -1.25 -0.43 119.30 124.88 1xjj s MET 130 Ca 0.60 -0.47 0.08 0.00 0.00 0.00 0.00 55.69 55.91 1xjj s MET 130 Cb 0.20 -3.32 0.14 0.00 0.00 0.00 0.00 34.83 31.85 1xjj s MET 130 CO -0.03 -0.16 1.09 1.28 0.00 0.00 0.00 175.02 177.19 1xjj n LEU 131 N 4.84 2.26 -4.41 4.11 4.77 -1.26 -4.57 117.00 122.74 1xjj n LEU 131 Ca -0.16 -2.42 -0.32 0.00 -0.03 0.00 0.00 56.01 53.08 1xjj n LEU 131 Cb 0.51 -0.19 -0.14 0.00 -2.33 0.00 0.00 43.42 41.28 1xjj n LEU 131 CO 0.31 0.59 -0.49 -0.44 -1.33 0.00 0.00 177.39 176.03 1xjj s SER 132 N -1.69 3.69 0.15 -1.43 0.01 -1.26 -3.76 113.70 109.40 1xjj s SER 132 Ca 0.14 -0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.16 1xjj s SER 132 Cb 0.12 -0.76 -0.09 0.00 0.21 0.00 0.00 66.02 65.50 1xjj s SER 132 CO 0.02 0.32 1.34 0.00 0.41 0.00 0.00 173.24 175.33 1xjj h ALA 133 N 5.53 0.46 -3.32 1.44 0.00 -1.89 -3.43 119.26 118.06 1xjj h ALA 133 Ca -0.43 -0.82 -0.67 0.00 0.00 0.00 0.00 54.91 52.99 1xjj h ALA 133 Cb 1.15 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.52 1xjj h ALA 133 CO 0.49 1.08 -0.82 0.00 0.00 0.00 0.00 179.25 180.01 1xjj s PHE 135 N 0.39 0.11 -0.04 0.00 0.40 -0.70 -1.08 117.98 117.05 1xjj s PHE 135 Ca -0.14 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1xjj s PHE 135 Cb -0.17 -0.09 0.02 0.00 0.51 0.00 0.00 43.02 43.29 1xjj s PHE 135 CO 0.07 -0.15 -0.06 0.08 0.70 0.00 0.00 175.22 175.86 1xjj s VAL 136 N -0.90 0.60 0.04 -0.44 1.01 -0.99 -1.31 120.40 118.40 1xjj s VAL 136 Ca -0.10 -0.18 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1xjj s VAL 136 Cb -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1xjj s VAL 136 CO -0.00 0.23 -0.25 0.68 0.00 0.00 0.00 175.10 175.76 1xjj s VAL 137 N 0.78 2.05 0.84 2.92 -7.23 -1.14 -1.36 120.40 117.26 1xjj s VAL 137 Ca -0.11 -1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 58.60 1xjj s VAL 137 Cb -0.14 -1.76 0.10 0.00 0.56 0.00 0.00 36.38 35.14 1xjj s VAL 137 CO 0.01 0.35 1.10 -2.16 -0.31 0.00 0.00 175.10 174.08 1xjj s PRO 138 N -1.19 1.71 -0.42 4.82 0.04 -1.26 -4.55 135.00 134.16 1xjj s PRO 138 Ca 0.11 0.69 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1xjj s PRO 138 Cb -0.10 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.70 1xjj s PRO 138 CO 0.02 -1.89 0.22 0.08 0.04 0.00 0.00 177.00 175.47 1xjj s VAL 139 N -3.07 1.16 0.86 -0.36 1.01 -1.26 -4.77 120.40 113.96 1xjj s VAL 139 Ca 0.62 -2.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.15 1xjj s VAL 139 Cb -0.16 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.51 1xjj s VAL 139 CO 0.55 -0.90 1.13 -0.83 0.00 0.00 0.00 175.10 175.05 1xjj s GLY 140 N 0.55 1.69 -1.53 4.51 0.00 -1.26 -4.55 107.32 106.73 1xjj s GLY 140 Ca 0.17 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 45.28 1xjj s GLY 140 CO -0.01 0.87 2.75 1.34 0.00 0.00 0.00 173.10 178.05 1xjj n ASP 141 N -3.95 8.23 -3.72 1.64 2.03 -1.26 -3.78 116.55 115.74 1xjj n ASP 141 Ca 0.11 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.54 1xjj n ASP 141 Cb 0.52 -1.51 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 1xjj n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjj s SER 142 N 1.73 -0.25 0.24 1.67 1.04 -1.26 -4.96 113.70 111.92 1xjj s SER 142 Ca 0.64 0.12 -0.05 0.00 0.48 0.00 0.00 55.95 57.14 1xjj s SER 142 Cb 0.18 0.35 0.45 0.00 0.10 0.00 0.00 66.02 67.10 1xjj s SER 142 CO -0.07 -0.51 1.72 0.40 0.98 0.00 0.00 173.24 175.76 1xjj h ILE 143 N 3.60 0.63 -0.35 -1.02 1.08 -1.99 0.15 117.51 119.60 1xjj h ILE 143 Ca -0.30 -0.13 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 1xjj h ILE 143 Cb 1.18 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 35.05 1xjj h ILE 143 CO 0.41 0.07 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.72 1xjj h GLU 144 N 0.39 -0.07 -0.10 2.37 4.57 -1.96 -1.72 114.58 118.06 1xjj h GLU 144 Ca 0.41 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.37 1xjj h GLU 144 Cb 0.63 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1xjj h GLU 144 CO -0.42 -0.05 -0.81 0.93 -1.18 0.00 0.00 179.01 177.48 1xjj h GLU 145 N -0.07 0.65 -0.36 1.92 5.08 -1.70 -1.77 114.58 118.32 1xjj h GLU 145 Ca 0.17 -0.56 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1xjj h GLU 145 Cb 0.34 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1xjj h GLU 145 CO -0.40 1.17 -0.01 0.82 -1.00 0.00 0.00 179.01 179.59 1xjj h ILE 146 N 0.43 0.72 0.00 3.13 2.04 -0.59 -2.08 117.51 121.15 1xjj h ILE 146 Ca -0.06 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.64 1xjj h ILE 146 Cb 1.43 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1xjj h ILE 146 CO 0.16 0.02 -0.81 -0.26 0.00 0.00 0.00 178.15 177.26 1xjj h PHE 147 N 0.09 0.00 -0.85 1.37 0.04 -1.30 -1.76 116.94 114.52 1xjj h PHE 147 Ca 0.18 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.97 1xjj h PHE 147 Cb 0.25 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 1xjj h PHE 147 CO -0.26 0.59 0.56 1.49 -0.60 0.00 0.00 178.31 180.09 1xjj h GLU 148 N 0.00 1.07 -0.65 1.51 4.57 -1.28 -1.78 114.58 118.02 1xjj h GLU 148 Ca -0.05 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1xjj h GLU 148 Cb 1.49 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 1xjj h GLU 148 CO 0.07 0.71 0.07 0.00 -1.18 0.00 0.00 179.01 178.68 1xjj h ALA 149 N 1.49 0.89 -0.54 2.92 0.00 -1.04 -0.91 119.26 122.07 1xjj h ALA 149 Ca 0.33 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xjj h ALA 149 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1xjj h ALA 149 CO -0.09 0.67 0.33 0.28 0.00 0.00 0.00 179.25 180.45 1xjj h VAL 150 N 1.02 1.15 -0.89 0.00 2.07 -1.06 0.13 116.25 118.67 1xjj h VAL 150 Ca 0.19 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1xjj h VAL 150 Cb 0.49 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1xjj h VAL 150 CO 0.02 0.16 0.48 0.50 0.02 0.00 0.00 177.57 178.75 1xjj h LYS 151 N 0.72 1.25 -0.52 1.57 3.64 -0.99 -2.16 116.57 120.08 1xjj h LYS 151 Ca 0.19 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1xjj h LYS 151 Cb -0.04 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1xjj h LYS 151 CO -0.04 0.91 0.13 0.93 -2.27 0.00 0.00 179.45 179.11 1xjj h GLU 152 N 1.25 0.82 -0.12 1.90 5.08 -0.18 -1.69 114.58 121.65 1xjj h GLU 152 Ca 0.31 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1xjj h GLU 152 Cb 0.03 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1xjj h GLU 152 CO -0.05 0.79 -0.17 1.88 -1.00 0.00 0.00 179.01 180.46 1xjj h TYR 153 N 0.72 -0.44 -0.51 4.33 -1.99 -0.32 -0.87 116.97 117.89 1xjj h TYR 153 Ca 0.16 0.02 0.08 0.00 2.00 0.00 0.00 58.73 60.99 1xjj h TYR 153 Cb 0.33 0.21 -0.06 0.00 2.00 0.00 0.00 36.73 39.21 1xjj h TYR 153 CO 0.02 -0.24 0.15 0.00 -0.00 0.00 0.00 178.16 178.09 1xjj h ALA 154 N 0.81 0.60 -0.55 3.88 0.00 -1.17 0.15 119.26 122.99 1xjj h ALA 154 Ca 0.09 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1xjj h ALA 154 Cb 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1xjj h ALA 154 CO -0.25 -0.26 -0.04 -0.07 0.00 0.00 0.00 179.25 178.63 1xjj h LEU 155 N 0.30 0.96 -0.13 0.00 3.38 -1.08 0.33 115.31 119.07 1xjj h LEU 155 Ca 0.25 -0.28 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1xjj h LEU 155 Cb 0.31 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xjj h LEU 155 CO -0.29 1.04 -0.85 0.40 0.09 0.00 0.00 178.44 178.83 1xjj h ILE 156 N 0.88 1.28 -0.43 1.22 2.04 -0.99 -2.72 117.51 118.80 1xjj h ILE 156 Ca 0.15 -2.06 -0.03 0.00 1.00 0.00 0.00 64.86 63.92 1xjj h ILE 156 Cb 0.58 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1xjj h ILE 156 CO 0.03 0.65 0.17 0.74 0.00 0.00 0.00 178.15 179.74 1xjj h THR 157 N 0.49 1.20 -0.40 -0.27 2.02 -0.63 0.71 112.91 116.03 1xjj h THR 157 Ca -0.07 -0.63 0.08 0.00 0.77 0.00 0.00 66.41 66.55 1xjj h THR 157 Cb 1.49 0.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 1xjj h THR 157 CO 0.17 0.23 -0.02 0.50 0.37 0.00 0.00 175.52 176.77 1xjj h LYS 158 N 0.55 0.08 0.00 6.66 3.64 -0.89 -2.36 116.57 124.26 1xjj h LYS 158 Ca 0.14 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1xjj h LYS 158 Cb 0.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1xjj h LYS 158 CO -0.01 0.05 0.00 1.33 -2.27 0.00 0.00 179.45 178.55 1xjj n VAL 159 N -5.22 0.06 0.00 2.00 0.24 -1.03 -4.88 118.33 109.50 1xjj n VAL 159 Ca 0.03 0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1xjj n VAL 159 Cb 0.21 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 1xjj n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjj n GLY 160 N 0.81 1.30 3.92 7.63 0.00 -0.89 -4.73 105.19 113.23 1xjj n GLY 160 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1xjj n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjj s GLY 161 N -2.00 1.86 -0.13 -0.02 0.00 0.22 -4.85 107.32 102.40 1xjj s GLY 161 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 43.94 1xjj s GLY 161 CO 0.00 -0.69 -0.01 -0.32 0.00 0.00 0.00 173.10 172.09 1xjj s GLY 162 N -3.07 1.80 0.09 0.20 0.00 -0.61 -4.17 107.32 101.55 1xjj s GLY 162 Ca 0.40 -0.80 0.08 0.00 0.00 0.00 0.00 44.72 44.39 1xjj s GLY 162 CO 0.29 -0.25 -0.20 0.54 0.00 0.00 0.00 173.10 173.47 1xjj s VAL 163 N -0.15 1.65 0.07 1.40 0.11 -1.26 -1.72 120.40 120.50 1xjj s VAL 163 Ca 0.04 -1.46 0.04 0.00 -2.93 0.00 0.00 61.98 57.68 1xjj s VAL 163 Cb -0.13 -1.49 -0.03 0.00 -1.53 0.00 0.00 36.38 33.20 1xjj s VAL 163 CO 0.02 -0.03 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.82 1xjj s GLY 164 N -1.76 0.80 0.02 6.54 0.00 -0.43 -1.13 107.32 111.36 1xjj s GLY 164 Ca 0.06 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 1xjj s GLY 164 CO 0.04 -1.06 0.05 -0.56 0.00 0.00 0.00 173.10 171.57 1xjj s SER 165 N -1.91 0.19 -0.26 1.64 0.01 0.04 -2.90 113.70 110.51 1xjj s SER 165 Ca -0.01 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.61 1xjj s SER 165 Cb -0.08 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1xjj s SER 165 CO 0.01 -0.41 0.37 0.21 0.41 0.00 0.00 173.24 173.83 1xjj s ASN 166 N -1.78 6.26 -0.03 2.44 3.84 -1.26 -1.45 114.94 122.96 1xjj s ASN 166 Ca -0.10 0.29 0.12 0.00 0.21 0.00 0.00 52.86 53.38 1xjj s ASN 166 Cb -0.05 -2.21 0.39 0.00 -0.55 0.00 0.00 41.25 38.84 1xjj s ASN 166 CO -0.02 -0.17 1.29 0.49 -2.79 0.00 0.00 177.10 175.90 1xjj n PHE 167 N 5.25 0.69 0.27 0.43 3.01 0.50 -4.44 117.46 123.17 1xjj n PHE 167 Ca -0.09 -0.31 0.16 0.00 1.01 0.00 0.00 57.45 58.22 1xjj n PHE 167 Cb 0.51 -0.07 0.67 0.00 -0.01 0.00 0.00 39.48 40.58 1xjj n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjj h SER 168 N 2.44 0.00 0.55 4.37 0.02 -1.90 -2.05 113.55 116.98 1xjj h SER 168 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xjj h SER 168 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1xjj h SER 168 CO 0.06 0.06 0.00 -0.33 -1.14 0.00 0.00 176.83 175.48 1xjj h GLU 169 N 0.00 0.00 -6.36 3.45 4.39 -1.80 -3.42 114.58 110.83 1xjj h GLU 169 Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 1xjj h GLU 169 Cb 0.53 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 1xjj h GLU 169 CO 0.01 0.00 0.87 -0.51 -1.16 0.00 0.00 179.01 178.21 1xjj s LEU 170 N -6.13 3.89 0.47 1.33 1.43 -0.77 -4.34 118.68 114.55 1xjj s LEU 170 Ca -0.02 0.99 -0.24 0.00 -1.03 0.00 0.00 54.13 53.84 1xjj s LEU 170 Cb 0.11 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 1xjj s LEU 170 CO 0.48 -0.94 1.16 -2.11 0.23 0.00 0.00 176.35 175.17 1xjj n ARG 171 N 7.03 1.58 -1.18 1.70 1.85 -1.26 -4.20 116.66 122.17 1xjj n ARG 171 Ca 0.12 0.57 -0.32 0.00 -1.00 0.00 0.00 57.85 57.22 1xjj n ARG 171 Cb 0.47 -2.28 0.11 0.00 -1.05 0.00 0.00 32.46 29.71 1xjj n ARG 171 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1xjj s PRO 172 N -2.33 1.84 -0.21 2.89 0.04 -1.26 -3.89 135.00 132.08 1xjj s PRO 172 Ca 0.65 1.54 -0.32 0.00 0.04 0.00 0.00 61.00 62.91 1xjj s PRO 172 Cb -0.49 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1xjj s PRO 172 CO 0.55 -2.02 2.10 1.17 0.04 0.00 0.00 177.00 178.85 1xjj n LYS 173 N -3.36 1.80 0.00 4.56 4.81 -1.26 -1.96 118.16 122.75 1xjj n LYS 173 Ca 0.12 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1xjj n LYS 173 Cb 0.52 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.75 1xjj n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjj n GLY 174 N 5.56 0.86 3.77 3.14 0.00 0.38 -4.92 105.19 113.97 1xjj n GLY 174 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1xjj n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjj s SER 175 N -1.47 5.70 0.27 1.61 0.01 -0.83 -4.63 113.70 114.37 1xjj s SER 175 Ca 0.00 2.31 -0.30 0.00 1.31 0.00 0.00 55.95 59.27 1xjj s SER 175 Cb 0.00 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.51 1xjj s SER 175 CO 0.00 -1.24 1.56 0.33 0.41 0.00 0.00 173.24 174.30 1xjj n PHE 176 N -1.09 2.68 -4.13 2.43 -0.00 -1.26 -0.50 117.46 115.59 1xjj n PHE 176 Ca 0.11 0.28 -0.34 0.00 -0.00 0.00 0.00 57.45 57.50 1xjj n PHE 176 Cb 0.49 -2.57 -0.15 0.00 -0.00 0.00 0.00 39.48 37.25 1xjj n PHE 176 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1xjj s VAL 177 N 0.06 2.64 -1.53 -2.13 1.01 -1.25 -4.75 120.40 114.45 1xjj s VAL 177 Ca 0.66 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 1xjj s VAL 177 Cb -0.54 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 1xjj s VAL 177 CO 0.48 0.49 2.79 0.00 0.00 0.00 0.00 175.10 178.86 1xjj n ALA 178 N 4.57 7.03 -2.25 5.51 0.00 -1.26 -4.65 120.51 129.46 1xjj n ALA 178 Ca -0.20 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1xjj n ALA 178 Cb 0.51 -3.37 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1xjj n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjj n GLY 179 N 3.67 2.70 0.00 0.00 0.00 -1.26 -5.11 105.19 105.18 1xjj n GLY 179 Ca 0.72 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1xjj n GLY 179 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xjj n THR 180 N 0.00 0.00 -4.28 2.61 -1.04 -1.26 -5.08 114.28 105.23 1xjj n THR 180 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1xjj n THR 180 Cb 0.00 -0.15 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 1xjj n THR 180 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1xjj s HIS 181 N 0.00 1.37 0.00 -1.42 0.09 -1.26 -4.92 115.29 109.14 1xjj s HIS 181 Ca 0.00 -1.07 0.00 0.00 -0.00 0.00 0.00 55.06 53.99 1xjj s HIS 181 Cb 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 32.58 31.79 1xjj s HIS 181 CO 0.00 -0.24 0.00 0.41 -0.00 0.00 0.00 174.74 174.91 1xjj n GLY 182 N -0.34 0.29 3.64 -2.22 0.00 -1.26 -5.15 105.19 100.15 1xjj n GLY 182 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1xjj n GLY 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xjj s LYS 183 N 1.28 2.29 0.36 1.61 1.02 -1.26 -3.79 119.74 121.25 1xjj s LYS 183 Ca 0.00 -1.20 -0.28 0.00 0.02 0.00 0.00 55.97 54.51 1xjj s LYS 183 Cb 0.00 -2.27 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 1xjj s LYS 183 CO 0.00 0.43 1.39 0.00 -0.92 0.00 0.00 175.35 176.25 1xjj s ALA 184 N -1.82 3.50 -0.79 5.17 0.00 0.34 -4.82 121.76 123.34 1xjj s ALA 184 Ca 0.27 1.41 0.25 0.00 0.00 0.00 0.00 51.96 53.89 1xjj s ALA 184 Cb -0.09 -3.54 0.51 0.00 0.00 0.00 0.00 23.12 20.00 1xjj s ALA 184 CO 0.18 -0.86 1.44 -1.13 0.00 0.00 0.00 175.76 175.38 1xjj n SER 185 N 0.54 0.58 0.00 0.00 3.41 -1.26 -0.47 113.62 116.41 1xjj n SER 185 Ca 0.01 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1xjj n SER 185 Cb 0.41 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1xjj n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjj n GLY 186 N 1.40 -0.70 0.29 5.00 0.00 -1.25 -4.32 105.19 105.61 1xjj n GLY 186 Ca 0.04 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.46 1xjj n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjj h PRO 187 N 0.00 0.58 -0.60 1.61 0.13 -1.73 -2.60 132.00 129.39 1xjj h PRO 187 Ca 0.00 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1xjj h PRO 187 Cb 0.00 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 30.97 1xjj h PRO 187 CO 0.00 0.38 0.10 0.28 -0.23 0.00 0.00 178.00 178.53 1xjj h VAL 188 N 0.60 1.25 -0.61 1.56 2.07 -1.95 -1.85 116.25 117.32 1xjj h VAL 188 Ca 0.42 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1xjj h VAL 188 Cb 0.55 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1xjj h VAL 188 CO -0.34 0.36 0.17 0.77 0.02 0.00 0.00 177.57 178.55 1xjj h SER 189 N 0.92 0.90 0.48 0.57 4.64 -1.68 -2.44 113.55 116.94 1xjj h SER 189 Ca 0.19 -0.22 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 1xjj h SER 189 Cb 0.40 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1xjj h SER 189 CO 0.01 0.89 -0.38 -0.26 -0.87 0.00 0.00 176.83 176.22 1xjj h PHE 190 N 0.87 0.00 -0.26 4.77 0.04 -1.46 -2.79 116.94 118.11 1xjj h PHE 190 Ca 0.19 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.98 1xjj h PHE 190 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1xjj h PHE 190 CO 0.02 0.38 0.18 0.52 -0.60 0.00 0.00 178.31 178.81 1xjj h MET 191 N 0.00 0.28 -0.54 1.51 2.86 -0.85 -0.85 114.93 117.33 1xjj h MET 191 Ca -0.00 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1xjj h MET 191 Cb 0.72 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1xjj h MET 191 CO 0.05 0.18 0.36 0.45 1.06 0.00 0.00 176.91 179.01 1xjj h HIS 192 N 0.28 0.61 -0.36 -0.22 3.86 -1.35 -0.99 115.15 116.99 1xjj h HIS 192 Ca 0.11 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 1xjj h HIS 192 Cb 0.07 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1xjj h HIS 192 CO -0.00 0.36 -0.10 0.28 0.86 0.00 0.00 177.93 179.33 1xjj h VAL 193 N 0.64 1.28 -0.31 2.45 2.07 -1.25 -0.94 116.25 120.19 1xjj h VAL 193 Ca 0.21 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.61 1xjj h VAL 193 Cb 0.06 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1xjj h VAL 193 CO -0.05 0.39 -0.01 -0.26 0.02 0.00 0.00 177.57 177.65 1xjj h PHE 194 N 0.50 -0.04 -0.24 1.57 0.04 -1.29 -0.18 116.94 117.31 1xjj h PHE 194 Ca 0.09 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.90 1xjj h PHE 194 Cb 0.61 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1xjj h PHE 194 CO 0.05 -0.07 0.11 -0.97 -0.60 0.00 0.00 178.31 176.83 1xjj h ASN 195 N 0.07 0.16 -0.40 2.17 -0.73 -1.03 -1.91 115.58 113.91 1xjj h ASN 195 Ca 0.15 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 1xjj h ASN 195 Cb 0.21 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 1xjj h ASN 195 CO -0.26 0.13 0.24 -1.28 -0.37 0.00 0.00 177.43 175.89 1xjj h SER 196 N 0.24 0.48 -0.66 1.15 0.87 -1.01 0.10 113.55 114.72 1xjj h SER 196 Ca 0.10 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.70 1xjj h SER 196 Cb 0.03 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 61.79 1xjj h SER 196 CO -0.07 0.40 0.28 0.00 -0.53 0.00 0.00 176.83 176.90 1xjj h ALA 197 N 1.11 0.89 0.00 6.23 0.00 -0.79 -2.77 119.26 123.93 1xjj h ALA 197 Ca 0.14 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1xjj h ALA 197 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xjj h ALA 197 CO -0.03 -0.15 -0.96 0.82 0.00 0.00 0.00 179.25 178.93 1xjj h ILE 198 N 0.48 1.60 0.00 0.00 1.08 -0.96 -1.29 117.51 118.42 1xjj h ILE 198 Ca 0.34 -3.28 -0.03 0.00 -0.39 0.00 0.00 64.86 61.50 1xjj h ILE 198 Cb 0.41 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.95 1xjj h ILE 198 CO -0.31 0.91 -0.15 0.77 -0.69 0.00 0.00 178.15 178.69 1xjj h SER 199 N 0.00 0.00 0.13 1.72 4.64 -0.56 0.45 113.55 119.93 1xjj h SER 199 Ca -0.02 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1xjj h SER 199 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1xjj h SER 199 CO 0.12 0.15 -1.51 0.58 -0.87 0.00 0.00 176.83 175.30 1xjj h VAL 200 N 0.00 1.00 -0.64 0.95 2.07 -1.20 -2.43 116.25 116.00 1xjj h VAL 200 Ca -0.00 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 65.13 1xjj h VAL 200 Cb 0.28 2.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 1xjj h VAL 200 CO 0.02 0.75 0.42 0.58 0.02 0.00 0.00 177.57 179.36 1xjj h VAL 201 N -0.19 1.06 -0.01 2.57 2.07 -0.98 -2.78 116.25 118.00 1xjj h VAL 201 Ca -0.32 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xjj h VAL 201 Cb 1.85 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1xjj h VAL 201 CO 0.09 0.13 -0.55 0.29 0.02 0.00 0.00 177.57 177.55 1xjj n LYS 202 N -4.47 0.47 0.00 1.57 5.02 0.12 -4.97 118.16 115.91 1xjj n LYS 202 Ca 0.08 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1xjj n LYS 202 Cb 0.16 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1xjj n LYS 202 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xjj n GLN 203 N -0.97 0.00 0.00 1.97 7.27 -0.91 -5.07 117.38 119.67 1xjj n GLN 203 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1xjj n GLN 203 Cb 0.37 -0.94 0.00 0.00 2.41 0.00 0.00 30.24 32.07 1xjj n GLN 203 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xjj n ALA 210 N 1.65 0.00 -2.45 1.69 0.00 -1.22 -5.04 120.51 115.14 1xjj n ALA 210 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1xjj n ALA 210 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1xjj n ALA 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xjj s LEU 211 N 0.00 2.52 -0.07 0.00 1.43 -0.27 -4.18 118.68 118.11 1xjj s LEU 211 Ca 0.00 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1xjj s LEU 211 Cb 0.00 -1.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 1xjj s LEU 211 CO 0.00 0.08 -0.16 -0.32 0.23 0.00 0.00 176.35 176.18 1xjj s MET 212 N -3.05 2.74 -0.11 1.70 -2.45 -0.29 -0.56 119.30 117.29 1xjj s MET 212 Ca 0.25 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 1xjj s MET 212 Cb -0.07 -2.41 0.02 0.00 1.25 0.00 0.00 34.83 33.63 1xjj s MET 212 CO 0.12 0.47 -0.10 0.20 1.05 0.00 0.00 175.02 176.77 1xjj s GLY 213 N -0.34 0.87 -0.03 2.11 0.00 0.47 -0.78 107.32 109.63 1xjj s GLY 213 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 44.72 44.24 1xjj s GLY 213 CO 0.02 0.60 -0.24 -0.42 0.00 0.00 0.00 173.10 173.06 1xjj s ILE 214 N 1.43 2.23 -0.04 0.90 1.01 -0.53 -1.51 121.20 124.68 1xjj s ILE 214 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.65 1xjj s ILE 214 Cb -0.13 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1xjj s ILE 214 CO -0.06 0.58 -0.13 -0.22 0.00 0.00 0.00 174.94 175.11 1xjj s LEU 215 N -0.59 1.83 0.40 2.97 2.96 -1.02 -0.37 118.68 124.85 1xjj s LEU 215 Ca 0.09 -0.28 -0.23 0.00 -0.22 0.00 0.00 54.13 53.49 1xjj s LEU 215 Cb -0.10 -0.79 -0.10 0.00 0.50 0.00 0.00 46.19 45.70 1xjj s LEU 215 CO -0.00 0.10 0.98 0.20 -1.32 0.00 0.00 176.35 176.31 1xjj s ASN 216 N 0.18 6.91 0.49 3.68 0.01 -1.26 -1.14 114.94 123.82 1xjj s ASN 216 Ca -0.05 1.84 0.14 0.00 -0.71 0.00 0.00 52.86 54.08 1xjj s ASN 216 Cb -0.11 -2.56 1.16 0.00 0.41 0.00 0.00 41.25 40.15 1xjj s ASN 216 CO 0.02 -0.38 2.12 -0.29 -1.51 0.00 0.00 177.10 177.05 1xjj h ILE 217 N 2.10 1.01 -0.33 0.60 6.09 -1.37 -1.86 117.51 123.76 1xjj h ILE 217 Ca -0.48 -0.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.95 1xjj h ILE 217 Cb 1.20 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.33 1xjj h ILE 217 CO 0.62 0.03 0.00 -0.46 -3.07 0.00 0.00 178.15 175.27 1xjj n ASN 218 N -4.51 2.25 -4.74 2.19 0.23 -1.26 -4.88 115.26 104.54 1xjj n ASN 218 Ca -0.01 -1.89 -0.41 0.00 -0.53 0.00 0.00 54.58 51.74 1xjj n ASN 218 Cb 0.11 -0.22 -0.03 0.00 -2.08 0.00 0.00 39.78 37.56 1xjj n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjj s HIS 219 N -1.57 3.31 0.66 -2.53 2.46 -0.70 -1.45 115.29 115.48 1xjj s HIS 219 Ca 0.32 1.29 0.38 0.00 0.47 0.00 0.00 55.06 57.52 1xjj s HIS 219 Cb 0.17 -3.54 2.09 0.00 -0.13 0.00 0.00 32.58 31.17 1xjj s HIS 219 CO 0.24 -1.64 2.20 -1.35 -2.47 0.00 0.00 174.74 171.72 1xjj h PRO 220 N 5.34 0.00 -0.62 2.88 0.11 -1.85 0.21 132.00 138.07 1xjj h PRO 220 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xjj h PRO 220 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjj h PRO 220 CO 0.76 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 1xjj n ASP 221 N -3.10 5.26 -0.13 -2.05 8.00 -1.26 -4.54 116.55 118.73 1xjj n ASP 221 Ca -0.02 -2.68 0.06 0.00 0.71 0.00 0.00 54.79 52.86 1xjj n ASP 221 Cb 0.20 -0.63 0.39 0.00 -0.02 0.00 0.00 41.12 41.05 1xjj n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjj h ILE 222 N 4.08 1.03 -0.29 0.53 6.09 -1.24 -1.38 117.51 126.32 1xjj h ILE 222 Ca 0.00 -0.23 -0.18 0.00 -1.37 0.00 0.00 64.86 63.09 1xjj h ILE 222 Cb 1.71 0.30 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1xjj h ILE 222 CO 0.36 0.12 -0.51 -0.33 -3.07 0.00 0.00 178.15 174.72 1xjj h GLU 223 N 0.67 0.85 -0.92 2.19 5.08 -1.82 -1.63 114.58 119.00 1xjj h GLU 223 Ca 0.27 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xjj h GLU 223 Cb 0.21 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1xjj h GLU 223 CO -0.08 1.17 0.59 1.49 -1.00 0.00 0.00 179.01 181.18 1xjj h GLU 224 N 0.63 1.23 -0.16 2.33 4.81 -1.76 -2.79 114.58 118.87 1xjj h GLU 224 Ca 0.02 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xjj h GLU 224 Cb 1.11 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1xjj h GLU 224 CO 0.11 0.83 0.10 0.35 -0.73 0.00 0.00 179.01 179.67 1xjj h PHE 225 N 1.26 0.18 -0.23 0.92 3.57 -0.95 -1.92 116.94 119.78 1xjj h PHE 225 Ca 0.33 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.86 1xjj h PHE 225 Cb -0.11 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1xjj h PHE 225 CO -0.00 0.11 0.15 0.82 -2.23 0.00 0.00 178.31 177.17 1xjj h ILE 226 N 0.20 1.00 -0.61 1.41 2.04 -1.17 -1.05 117.51 119.33 1xjj h ILE 226 Ca 0.06 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1xjj h ILE 226 Cb -0.02 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1xjj h ILE 226 CO -0.02 0.04 0.00 0.47 0.00 0.00 0.00 178.15 178.64 1xjj n ASP 227 N -4.50 3.69 0.11 1.72 8.00 -0.79 -4.59 116.55 120.19 1xjj n ASP 227 Ca 0.01 -2.14 0.13 0.00 0.71 0.00 0.00 54.79 53.49 1xjj n ASP 227 Cb 0.15 -0.47 0.44 0.00 -0.02 0.00 0.00 41.12 41.23 1xjj n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjj n ALA 228 N 1.20 2.06 0.14 2.24 0.00 -0.40 -2.83 120.51 122.92 1xjj n ALA 228 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.69 1xjj n ALA 228 Cb 0.63 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1xjj n ALA 228 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xjj n LYS 229 N -2.22 -0.38 -1.09 0.00 5.02 -1.26 -4.55 118.16 113.68 1xjj n LYS 229 Ca 0.04 -0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 55.25 1xjj n LYS 229 Cb 0.35 -1.07 0.11 0.00 -0.02 0.00 0.00 35.03 34.41 1xjj n LYS 229 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xjj n LYS 230 N 0.18 0.13 0.00 1.97 4.81 -1.13 -4.92 118.16 119.20 1xjj n LYS 230 Ca 0.02 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1xjj n LYS 230 Cb 0.10 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1xjj n LYS 230 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xjj n GLU 231 N -2.33 0.00 -1.98 1.64 1.02 -1.26 -4.87 120.64 112.86 1xjj n GLU 231 Ca 0.11 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 1xjj n GLU 231 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 1xjj n GLU 231 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xjj s ALA 236 N -1.00 2.97 0.26 0.62 0.00 -1.26 -5.19 121.76 118.16 1xjj s ALA 236 Ca 0.00 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.07 1xjj s ALA 236 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 23.12 19.05 1xjj s ALA 236 CO 0.00 -2.46 0.92 0.14 0.00 0.00 0.00 175.76 174.37 1xjj s VAL 237 N 6.56 4.16 0.00 0.00 -7.23 -1.26 -4.96 120.40 117.66 1xjj s VAL 237 Ca 0.80 1.94 0.00 0.00 -1.81 0.00 0.00 61.98 62.92 1xjj s VAL 237 Cb -0.25 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.51 1xjj s VAL 237 CO 0.33 0.36 0.00 0.18 -0.31 0.00 0.00 175.10 175.66 1xjj n LEU 238 N 1.13 0.58 0.31 1.32 4.77 -1.26 -4.94 117.00 118.91 1xjj n LEU 238 Ca -0.01 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 1xjj n LEU 238 Cb 0.48 -1.64 1.01 0.00 -2.33 0.00 0.00 43.42 40.95 1xjj n LEU 238 CO 0.47 -0.57 1.13 -0.55 -1.33 0.00 0.00 177.39 176.54 1xjj h ASN 239 N 0.00 0.00 0.37 -1.43 -0.00 -1.96 -1.38 115.58 111.18 1xjj h ASN 239 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1xjj h ASN 239 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 1xjj h ASN 239 CO 0.00 0.01 -0.33 0.49 -0.00 0.00 0.00 177.43 177.61 1xjj n PHE 240 N -3.49 0.00 -3.44 4.14 3.01 -1.26 -4.90 117.46 111.53 1xjj n PHE 240 Ca -0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.06 1xjj n PHE 240 Cb 0.10 -0.18 -0.06 0.00 -0.01 0.00 0.00 39.48 39.33 1xjj n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjj s PHE 241 N -2.70 3.64 -0.05 1.38 0.40 -0.52 -1.11 117.98 119.02 1xjj s PHE 241 Ca 0.20 0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 57.28 1xjj s PHE 241 Cb 0.19 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1xjj s PHE 241 CO 0.58 0.46 0.48 -0.80 0.70 0.00 0.00 175.22 176.64 1xjj s ASN 242 N -0.40 6.80 -0.14 1.36 0.01 0.28 -4.86 114.94 117.99 1xjj s ASN 242 Ca 0.24 0.95 -0.01 0.00 -0.71 0.00 0.00 52.86 53.32 1xjj s ASN 242 Cb -0.16 -2.29 -0.02 0.00 0.41 0.00 0.00 41.25 39.19 1xjj s ASN 242 CO 0.12 0.14 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.97 1xjj s LEU 243 N -0.15 2.83 0.02 0.60 1.43 -1.26 -0.39 118.68 121.75 1xjj s LEU 243 Ca 0.26 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1xjj s LEU 243 Cb -0.16 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1xjj s LEU 243 CO 0.13 0.15 -0.15 -0.44 0.23 0.00 0.00 176.35 176.27 1xjj s SER 244 N 0.46 1.75 -0.05 2.29 0.01 -0.57 -1.24 113.70 116.36 1xjj s SER 244 Ca -0.08 -0.37 -0.26 0.00 1.31 0.00 0.00 55.95 56.54 1xjj s SER 244 Cb -0.15 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 1xjj s SER 244 CO 0.04 0.11 0.83 -0.69 0.41 0.00 0.00 173.24 173.94 1xjj s VAL 245 N -0.61 4.96 -0.00 3.43 1.01 0.18 -2.44 120.40 126.92 1xjj s VAL 245 Ca 0.04 1.72 -0.16 0.00 0.00 0.00 0.00 61.98 63.58 1xjj s VAL 245 Cb -0.07 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1xjj s VAL 245 CO 0.00 0.19 0.44 -0.83 0.00 0.00 0.00 175.10 174.91 1xjj s GLY 246 N 0.91 2.50 -0.53 4.51 0.00 -0.29 0.08 107.32 114.51 1xjj s GLY 246 Ca 0.44 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 45.02 1xjj s GLY 246 CO 0.22 0.29 0.34 -1.36 0.00 0.00 0.00 173.10 172.59 1xjj s PHE 247 N -0.83 2.46 0.11 1.90 0.08 -0.32 -0.89 117.98 120.48 1xjj s PHE 247 Ca 0.25 -2.78 0.33 0.00 0.12 0.00 0.00 56.93 54.85 1xjj s PHE 247 Cb -0.17 -2.08 1.36 0.00 -0.57 0.00 0.00 43.02 41.56 1xjj s PHE 247 CO 0.14 -0.71 1.98 -1.00 -0.10 0.00 0.00 175.22 175.53 1xjj h PRO 248 N 6.10 0.00 -7.35 0.24 0.13 -1.91 -1.68 132.00 127.53 1xjj h PRO 248 Ca 0.08 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.75 1xjj h PRO 248 Cb 0.87 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.09 1xjj h PRO 248 CO 0.56 0.01 0.23 0.00 -0.23 0.00 0.00 178.00 178.57 1xjj s MET 249 N -3.68 1.79 0.26 0.86 0.23 -1.26 -3.21 119.30 114.29 1xjj s MET 249 Ca 0.01 -0.49 -0.30 0.00 -1.03 0.00 0.00 55.69 53.88 1xjj s MET 249 Cb 0.09 -2.15 -0.10 0.00 -1.53 0.00 0.00 34.83 31.14 1xjj s MET 249 CO 0.55 -1.50 1.33 0.34 -2.03 0.00 0.00 175.02 173.70 1xjj s ASP 250 N -4.64 6.82 0.47 -1.18 -1.08 -1.26 -4.07 116.67 111.74 1xjj s ASP 250 Ca 0.64 2.55 0.20 0.00 -0.52 0.00 0.00 52.55 55.42 1xjj s ASP 250 Cb -0.08 -2.63 1.20 0.00 -1.46 0.00 0.00 42.92 39.95 1xjj s ASP 250 CO 0.46 -0.55 1.96 0.11 0.52 0.00 0.00 175.17 177.67 1xjj h LYS 251 N 4.52 0.23 -0.47 4.34 1.57 -1.91 -2.18 116.57 122.67 1xjj h LYS 251 Ca -0.47 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 1xjj h LYS 251 Cb 1.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1xjj h LYS 251 CO 0.73 0.15 0.05 0.87 -0.57 0.00 0.00 179.45 180.68 1xjj h LYS 252 N 0.23 0.79 -0.35 3.15 1.57 -1.90 -1.17 116.57 118.90 1xjj h LYS 252 Ca 0.31 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xjj h LYS 252 Cb 0.91 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1xjj h LYS 252 CO -0.06 0.82 0.17 1.49 -0.57 0.00 0.00 179.45 181.29 1xjj h GLU 253 N 0.66 0.50 -0.26 3.15 4.81 -1.78 -1.46 114.58 120.20 1xjj h GLU 253 Ca 0.14 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1xjj h GLU 253 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xjj h GLU 253 CO 0.01 0.45 -0.29 0.82 -0.73 0.00 0.00 179.01 179.28 1xjj h ILE 254 N 0.43 1.28 -0.48 2.32 1.08 -1.37 -2.12 117.51 118.65 1xjj h ILE 254 Ca 0.12 -1.36 -0.05 0.00 -0.39 0.00 0.00 64.86 63.18 1xjj h ILE 254 Cb 0.11 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1xjj h ILE 254 CO -0.02 0.43 0.09 0.25 -0.69 0.00 0.00 178.15 178.22 1xjj h LEU 255 N 0.46 0.75 -0.66 1.44 5.85 -1.03 -1.63 115.31 120.49 1xjj h LEU 255 Ca 0.06 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1xjj h LEU 255 Cb 0.74 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1xjj h LEU 255 CO 0.06 0.81 0.27 0.50 -0.34 0.00 0.00 178.44 179.74 1xjj h LYS 256 N 0.66 0.99 -0.40 1.25 3.64 -1.15 -0.83 116.57 120.73 1xjj h LYS 256 Ca 0.15 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1xjj h LYS 256 Cb 0.37 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1xjj h LYS 256 CO 0.01 0.82 -0.14 1.25 -2.27 0.00 0.00 179.45 179.12 1xjj h LEU 257 N 0.93 0.72 -0.35 5.20 5.85 -1.24 0.16 115.31 126.59 1xjj h LEU 257 Ca 0.22 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1xjj h LEU 257 Cb 0.20 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1xjj h LEU 257 CO -0.02 0.87 -0.40 0.22 -0.34 0.00 0.00 178.44 178.77 1xjj h TYR 258 N 0.65 1.08 -0.39 1.25 5.03 -0.70 0.29 116.97 124.18 1xjj h TYR 258 Ca 0.11 -0.34 -0.12 0.00 2.58 0.00 0.00 58.73 60.96 1xjj h TYR 258 Cb 0.61 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1xjj h TYR 258 CO 0.03 1.16 -0.23 0.93 -1.32 0.00 0.00 178.16 178.73 1xjj h GLU 259 N 0.69 0.79 -0.02 1.82 5.08 -0.77 -1.74 114.58 120.42 1xjj h GLU 259 Ca 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1xjj h GLU 259 Cb 1.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1xjj h GLU 259 CO 0.10 0.94 0.00 0.39 -1.00 0.00 0.00 179.01 179.43 1xjj n GLU 260 N -4.11 1.20 -3.83 2.33 1.02 0.01 -4.93 120.64 112.32 1xjj n GLU 260 Ca 0.00 -0.29 -0.28 0.00 -0.02 0.00 0.00 57.16 56.57 1xjj n GLU 260 Cb 0.44 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.49 1xjj n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjj n ASP 261 N -0.57 -4.67 -3.61 1.62 4.64 -0.66 -4.98 116.55 108.33 1xjj n ASP 261 Ca 0.19 -0.74 -0.28 0.00 -1.38 0.00 0.00 54.79 52.57 1xjj n ASP 261 Cb 0.16 -4.12 0.22 0.00 -1.04 0.00 0.00 41.12 36.34 1xjj n ASP 261 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjj n GLY 262 N -1.73 -2.32 3.47 0.27 0.00 0.97 -4.89 105.19 100.96 1xjj n GLY 262 Ca -0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 1xjj n GLY 262 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xjj s GLU 263 N -5.50 1.95 -0.12 1.61 2.02 -1.26 -2.41 118.70 114.99 1xjj s GLU 263 Ca 0.69 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 54.59 1xjj s GLU 263 Cb -0.05 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1xjj s GLU 263 CO 0.51 0.52 -0.01 -1.17 0.02 0.00 0.00 175.26 175.13 1xjj s LEU 264 N -1.72 3.49 -0.37 1.80 2.96 0.75 -4.86 118.68 120.73 1xjj s LEU 264 Ca 0.16 0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.91 1xjj s LEU 264 Cb -0.11 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1xjj s LEU 264 CO 0.07 0.29 0.65 -0.70 -1.32 0.00 0.00 176.35 175.35 1xjj s GLU 265 N -0.35 3.61 -0.24 1.98 2.56 -1.26 -1.99 118.70 123.01 1xjj s GLU 265 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 54.97 54.78 1xjj s GLU 265 Cb -0.12 -3.84 0.00 0.00 2.00 0.00 0.00 34.13 32.17 1xjj s GLU 265 CO 0.02 -0.80 0.92 -0.51 -0.56 0.00 0.00 175.26 174.33 1xjj s LEU 266 N 2.78 4.08 0.31 2.70 1.43 0.42 -4.86 118.68 125.54 1xjj s LEU 266 Ca 0.25 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1xjj s LEU 266 Cb -0.14 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.76 1xjj s LEU 266 CO 0.16 -0.59 0.64 -0.94 0.23 0.00 0.00 176.35 175.84 1xjj s SER 267 N 1.31 0.03 -0.17 2.29 1.04 -0.53 -1.96 113.70 115.72 1xjj s SER 267 Ca 0.39 -0.98 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 1xjj s SER 267 Cb -0.15 0.72 0.05 0.00 0.10 0.00 0.00 66.02 66.73 1xjj s SER 267 CO 0.07 -1.38 0.47 -2.28 0.98 0.00 0.00 173.24 171.10 1xjj s HIS 268 N -3.37 -0.51 0.40 5.02 2.46 -1.26 -4.37 115.29 113.66 1xjj s HIS 268 Ca 0.18 1.22 0.32 0.00 0.47 0.00 0.00 55.06 57.25 1xjj s HIS 268 Cb -0.03 0.18 1.63 0.00 -0.13 0.00 0.00 32.58 34.22 1xjj s HIS 268 CO 0.11 -0.26 2.11 -1.00 -2.47 0.00 0.00 174.74 173.23 1xjj h PRO 269 N 5.27 0.00 -0.58 2.88 0.13 -1.97 -2.98 132.00 134.76 1xjj h PRO 269 Ca -0.27 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.46 1xjj h PRO 269 Cb 1.18 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 1xjj h PRO 269 CO 0.22 0.07 -0.38 0.54 -0.23 0.00 0.00 178.00 178.22 1xjj n ARG 270 N -3.41 2.78 -3.70 0.86 1.74 -1.26 -4.99 116.66 108.68 1xjj n ARG 270 Ca -0.02 -3.70 -0.13 0.00 -0.77 0.00 0.00 57.85 53.23 1xjj n ARG 270 Cb 0.22 -2.07 -0.07 0.00 -1.02 0.00 0.00 32.46 29.51 1xjj n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjj s SER 271 N -3.08 -0.26 0.00 0.55 0.15 -1.13 -4.78 113.70 105.16 1xjj s SER 271 Ca 0.49 0.07 0.26 0.00 0.70 0.00 0.00 55.95 57.48 1xjj s SER 271 Cb 0.42 0.38 0.66 0.00 -1.71 0.00 0.00 66.02 65.77 1xjj s SER 271 CO 0.01 -0.57 1.51 0.35 1.20 0.00 0.00 173.24 175.73 1xjj n THR 272 N 0.84 0.00 -1.96 6.45 -2.24 -1.26 -4.60 114.28 111.52 1xjj n THR 272 Ca -0.20 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 1xjj n THR 272 Cb 0.58 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1xjj n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjj s ILE 273 N -2.34 3.15 -0.02 2.28 1.01 -1.26 -4.97 121.20 119.04 1xjj s ILE 273 Ca 0.27 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.39 1xjj s ILE 273 Cb 0.20 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1xjj s ILE 273 CO 0.47 -0.01 0.17 -0.13 0.00 0.00 0.00 174.94 175.44 1xjj s ARG 274 N 2.77 0.44 -0.19 2.79 0.52 -1.26 -4.26 118.95 119.75 1xjj s ARG 274 Ca 0.73 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 55.45 1xjj s ARG 274 Cb -0.38 0.19 0.12 0.00 0.52 0.00 0.00 34.95 35.40 1xjj s ARG 274 CO 0.32 -0.10 0.99 0.21 0.02 0.00 0.00 175.30 176.74 1xjj s LYS 275 N -0.98 0.59 -0.09 3.54 2.20 -0.83 -5.02 119.74 119.15 1xjj s LYS 275 Ca -0.11 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1xjj s LYS 275 Cb -0.06 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 1xjj s LYS 275 CO 0.02 -0.16 -0.06 0.15 -0.36 0.00 0.00 175.35 174.94 1xjj s LYS 276 N -0.79 3.02 0.03 4.03 1.02 -1.26 -0.44 119.74 125.35 1xjj s LYS 276 Ca -0.01 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.48 1xjj s LYS 276 Cb -0.02 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1xjj s LYS 276 CO 0.00 0.55 -0.08 0.08 -0.92 0.00 0.00 175.35 174.97 1xjj s VAL 277 N -0.49 0.64 -0.02 3.17 1.01 -0.84 -4.96 120.40 118.89 1xjj s VAL 277 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1xjj s VAL 277 Cb -0.12 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.58 1xjj s VAL 277 CO 0.02 -0.12 1.58 -0.54 0.00 0.00 0.00 175.10 176.05 1xjj s LYS 278 N -0.98 4.21 0.40 2.72 -0.14 -1.26 -0.17 119.74 124.51 1xjj s LYS 278 Ca -0.03 2.15 0.12 0.00 -1.36 0.00 0.00 55.97 56.84 1xjj s LYS 278 Cb -0.07 -3.82 0.93 0.00 -1.68 0.00 0.00 37.83 33.19 1xjj s LYS 278 CO 0.00 -0.76 1.92 0.97 -0.76 0.00 0.00 175.35 176.72 1xjj h ILE 279 N 5.29 0.86 -0.31 2.17 6.09 -1.81 0.52 117.51 130.32 1xjj h ILE 279 Ca -0.39 -0.19 -0.06 0.00 -1.37 0.00 0.00 64.86 62.85 1xjj h ILE 279 Cb 1.18 0.26 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 1xjj h ILE 279 CO 0.94 0.10 -0.05 0.03 -3.07 0.00 0.00 178.15 176.10 1xjj h ARG 280 N 0.55 0.50 -0.21 2.19 3.08 -1.89 0.49 114.38 119.10 1xjj h ARG 280 Ca 0.37 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.19 1xjj h ARG 280 Cb 0.68 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 1xjj h ARG 280 CO -0.14 0.57 -0.30 0.93 -1.07 0.00 0.00 179.97 179.96 1xjj h GLU 281 N 0.47 0.58 0.19 0.04 3.07 -1.30 -1.32 114.58 116.31 1xjj h GLU 281 Ca 0.10 -0.34 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 1xjj h GLU 281 Cb 0.39 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1xjj h GLU 281 CO 0.02 0.94 -0.09 1.25 -1.40 0.00 0.00 179.01 179.73 1xjj h LEU 282 N 0.26 -0.21 -0.72 1.33 5.85 -1.34 -1.44 115.31 119.03 1xjj h LEU 282 Ca 0.02 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.69 1xjj h LEU 282 Cb 0.88 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 41.86 1xjj h LEU 282 CO 0.07 0.09 0.15 -0.26 -0.34 0.00 0.00 178.44 178.15 1xjj h PHE 283 N -0.54 0.22 -0.15 1.25 0.04 -0.90 -0.17 116.94 116.69 1xjj h PHE 283 Ca -0.03 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1xjj h PHE 283 Cb 0.40 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 1xjj h PHE 283 CO 0.02 -0.10 -0.09 -0.09 -0.60 0.00 0.00 178.31 177.44 1xjj h ARG 284 N 0.24 0.22 -0.07 1.51 2.43 -0.82 0.68 114.38 118.58 1xjj h ARG 284 Ca 0.40 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1xjj h ARG 284 Cb 0.69 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1xjj h ARG 284 CO -0.52 0.33 -0.07 -0.22 -1.51 0.00 0.00 179.97 177.98 1xjj h LYS 285 N 0.21 0.16 -0.10 0.20 3.64 -0.15 0.18 116.57 120.72 1xjj h LYS 285 Ca 0.05 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1xjj h LYS 285 Cb 0.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1xjj h LYS 285 CO 0.02 0.61 -0.27 0.82 -2.27 0.00 0.00 179.45 178.36 1xjj h ILE 286 N -0.28 0.38 -0.88 2.00 2.04 -0.43 -2.88 117.51 117.47 1xjj h ILE 286 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1xjj h ILE 286 Cb 0.58 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1xjj h ILE 286 CO 0.02 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.74 1xjj h ALA 287 N 0.54 1.51 -0.62 1.87 0.00 -0.80 -2.11 119.26 119.65 1xjj h ALA 287 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xjj h ALA 287 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xjj h ALA 287 CO -0.30 0.37 0.07 1.15 0.00 0.00 0.00 179.25 180.55 1xjj h THR 288 N 1.02 1.26 -0.01 0.00 2.02 -0.75 -0.12 112.91 116.33 1xjj h THR 288 Ca 0.37 -1.04 -0.22 0.00 0.77 0.00 0.00 66.41 66.28 1xjj h THR 288 Cb 0.14 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1xjj h THR 288 CO -0.13 0.39 -0.92 0.78 0.37 0.00 0.00 175.52 176.00 1xjj h ASN 289 N 0.96 0.53 -0.36 4.18 4.21 -1.29 -1.90 115.58 121.92 1xjj h ASN 289 Ca 0.19 -0.42 -0.13 0.00 1.21 0.00 0.00 56.30 57.15 1xjj h ASN 289 Cb 0.45 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1xjj h ASN 289 CO 0.02 1.21 -0.24 0.00 -1.29 0.00 0.00 177.43 177.13 1xjj h ALA 290 N 0.76 0.78 -0.64 -0.83 0.00 -1.12 0.47 119.26 118.67 1xjj h ALA 290 Ca -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1xjj h ALA 290 Cb 1.55 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1xjj h ALA 290 CO 0.16 0.65 0.40 2.35 0.00 0.00 0.00 179.25 182.82 1xjj h TRP 291 N 0.74 0.76 -0.16 0.00 7.01 -0.93 0.32 115.95 123.69 1xjj h TRP 291 Ca 0.10 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.99 1xjj h TRP 291 Cb 0.79 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1xjj h TRP 291 CO 0.05 0.44 -0.41 0.87 -2.79 0.00 0.00 178.44 176.59 1xjj h LYS 292 N 0.80 0.55 0.00 2.65 1.57 -1.02 -3.43 116.57 117.69 1xjj h LYS 292 Ca 0.26 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1xjj h LYS 292 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1xjj h LYS 292 CO -0.10 1.01 0.00 -1.13 -0.57 0.00 0.00 179.45 178.66 1xjj n SER 293 N -4.27 0.00 0.00 0.86 3.41 0.13 -4.35 113.62 109.40 1xjj n SER 293 Ca -0.07 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1xjj n SER 293 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1xjj n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjj n GLY 294 N 0.00 2.51 3.52 5.00 0.00 0.11 -4.96 105.19 111.38 1xjj n GLY 294 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1xjj n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjj s ASP 295 N -2.18 3.99 0.55 1.61 1.11 -1.26 -4.48 116.67 116.02 1xjj s ASP 295 Ca 0.00 -0.62 -0.05 0.00 0.18 0.00 0.00 52.55 52.07 1xjj s ASP 295 Cb 0.00 -0.58 -0.00 0.00 1.07 0.00 0.00 42.92 43.41 1xjj s ASP 295 CO 0.00 0.13 0.84 -2.16 1.18 0.00 0.00 175.17 175.16 1xjj s PRO 296 N -2.57 3.04 0.39 8.23 0.04 -1.26 -2.59 135.00 140.28 1xjj s PRO 296 Ca 0.22 -0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.16 1xjj s PRO 296 Cb -0.09 -2.34 0.08 0.00 0.04 0.00 0.00 34.50 32.19 1xjj s PRO 296 CO 0.13 -0.54 0.53 0.41 0.04 0.00 0.00 177.00 177.56 1xjj n GLY 297 N -2.44 0.00 3.21 0.56 0.00 -0.37 -4.74 105.19 101.41 1xjj n GLY 297 Ca 0.03 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1xjj n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjj s LEU 298 N 0.00 2.04 -0.30 0.99 1.43 -0.72 -0.65 118.68 121.48 1xjj s LEU 298 Ca 0.33 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1xjj s LEU 298 Cb -0.01 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.91 1xjj s LEU 298 CO 0.22 0.16 0.01 0.00 0.23 0.00 0.00 176.35 176.97 1xjj s ALA 299 N 0.31 2.83 -1.30 4.21 0.00 0.11 -1.64 121.76 126.28 1xjj s ALA 299 Ca -0.17 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 49.95 1xjj s ALA 299 Cb -0.17 -1.95 0.13 0.00 0.00 0.00 0.00 23.12 21.13 1xjj s ALA 299 CO 0.08 -1.22 1.82 1.19 0.00 0.00 0.00 175.76 177.63 1xjj n PHE 300 N 4.65 3.85 -0.17 0.00 3.72 -0.35 -1.18 117.46 127.98 1xjj n PHE 300 Ca -0.13 -2.98 -0.04 0.00 -0.05 0.00 0.00 57.45 54.24 1xjj n PHE 300 Cb 0.44 -2.24 0.05 0.00 -0.94 0.00 0.00 39.48 36.79 1xjj n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjj h LEU 301 N 9.50 0.38 -0.76 4.37 3.38 -1.64 -1.79 115.31 128.74 1xjj h LEU 301 Ca 0.42 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.57 1xjj h LEU 301 Cb 0.73 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1xjj h LEU 301 CO 1.56 0.26 0.29 1.23 0.09 0.00 0.00 178.44 181.87 1xjj h GLY 302 N 0.51 1.16 1.30 0.83 0.00 -1.30 0.23 103.07 105.80 1xjj h GLY 302 Ca 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1xjj h GLY 302 CO -0.16 -0.13 0.20 -2.09 0.00 0.00 0.00 176.54 174.37 1xjj h GLU 303 N 0.42 0.89 -0.55 4.80 4.57 -1.66 0.24 114.58 123.29 1xjj h GLU 303 Ca 0.43 -0.16 -0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1xjj h GLU 303 Cb 0.67 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1xjj h GLU 303 CO -0.43 0.76 -0.08 0.52 -1.18 0.00 0.00 179.01 178.61 1xjj h MET 304 N 0.87 1.03 0.00 1.92 2.86 -0.56 -2.88 114.93 118.17 1xjj h MET 304 Ca 0.20 -0.37 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 1xjj h MET 304 Cb 0.23 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1xjj h MET 304 CO -0.01 1.06 -0.51 -0.91 1.06 0.00 0.00 176.91 177.60 1xjj h ASN 305 N 0.91 0.00 -0.90 1.22 2.35 -0.24 -2.36 115.58 116.56 1xjj h ASN 305 Ca 0.15 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.05 1xjj h ASN 305 Cb 0.64 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.94 1xjj h ASN 305 CO 0.04 0.51 0.58 0.50 -1.65 0.00 0.00 177.43 177.41 1xjj h LYS 306 N 0.00 0.64 -0.42 0.81 3.64 -0.32 -2.16 116.57 118.76 1xjj h LYS 306 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xjj h LYS 306 Cb 1.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1xjj h LYS 306 CO 0.07 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.33 1xjj n TYR 307 N -4.57 0.65 -2.89 1.91 4.01 -1.04 -4.95 117.16 110.29 1xjj n TYR 307 Ca 0.18 -0.54 -0.42 0.00 -0.16 0.00 0.00 57.90 56.95 1xjj n TYR 307 Cb 0.50 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 39.42 1xjj n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjj s TYR 308 N -1.23 3.08 0.53 -0.72 5.04 -0.81 -4.66 117.35 118.58 1xjj s TYR 308 Ca 0.31 0.61 0.37 0.00 -2.44 0.00 0.00 57.07 55.93 1xjj s TYR 308 Cb 0.18 -3.54 2.04 0.00 0.35 0.00 0.00 41.96 40.98 1xjj s TYR 308 CO 0.18 -0.80 2.14 -1.35 -1.34 0.00 0.00 175.55 174.39 1xjj h PRO 309 N 8.53 0.00 -0.20 4.97 0.11 -1.88 -2.66 132.00 140.87 1xjj h PRO 309 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1xjj h PRO 309 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xjj h PRO 309 CO 0.95 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 1xjj n LEU 310 N -2.89 2.68 -4.80 2.35 4.77 -1.26 -0.72 117.00 117.12 1xjj n LEU 310 Ca -0.02 -1.39 -0.35 0.00 -0.03 0.00 0.00 56.01 54.21 1xjj n LEU 310 Cb 0.14 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1xjj n LEU 310 CO 0.17 0.57 0.63 -0.47 -1.33 0.00 0.00 177.39 176.95 1xjj s TYR 311 N -1.17 3.52 -2.26 -1.77 5.04 -1.01 -1.01 117.35 118.69 1xjj s TYR 311 Ca 0.24 1.66 0.20 0.00 -2.44 0.00 0.00 57.07 56.73 1xjj s TYR 311 Cb 0.14 -2.86 0.67 0.00 0.35 0.00 0.00 41.96 40.27 1xjj s TYR 311 CO 0.20 0.08 1.50 -0.35 -1.34 0.00 0.00 175.55 175.64 1xjj n PRO 312 N 0.03 1.81 0.10 4.97 -0.04 -1.26 -4.88 135.00 135.72 1xjj n PRO 312 Ca 0.04 -1.22 0.12 0.00 -0.04 0.00 0.00 63.50 62.40 1xjj n PRO 312 Cb 0.52 -1.39 0.45 0.00 -0.04 0.00 0.00 33.50 33.04 1xjj n PRO 312 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1xjj n HIS 313 N 0.45 0.76 -4.25 0.54 -0.00 -0.98 -4.63 115.22 107.11 1xjj n HIS 313 Ca 0.16 0.25 -0.16 0.00 0.46 0.00 0.00 57.72 58.43 1xjj n HIS 313 Cb 0.35 -0.91 -0.10 0.00 -0.12 0.00 0.00 29.99 29.21 1xjj n HIS 313 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1xjj s ARG 314 N -3.16 1.07 -0.04 1.57 0.52 -0.18 -5.15 118.95 113.57 1xjj s ARG 314 Ca 0.09 -1.38 -0.02 0.00 -0.52 0.00 0.00 55.73 53.89 1xjj s ARG 314 Cb 0.12 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.84 1xjj s ARG 314 CO 0.51 0.12 0.09 0.21 0.02 0.00 0.00 175.30 176.25 1xjj s LYS 315 N -3.32 0.06 -0.31 3.54 2.20 -1.26 -3.46 119.74 117.19 1xjj s LYS 315 Ca 0.14 0.23 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 1xjj s LYS 315 Cb -0.01 -0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.22 1xjj s LYS 315 CO 0.02 -0.10 1.19 0.42 -0.36 0.00 0.00 175.35 176.52 1xjj s ILE 316 N 0.69 4.30 -0.06 5.43 1.01 -1.26 -4.25 121.20 127.07 1xjj s ILE 316 Ca -0.05 1.48 0.09 0.00 0.00 0.00 0.00 60.65 62.17 1xjj s ILE 316 Cb -0.07 -4.29 -0.13 0.00 0.01 0.00 0.00 42.46 37.98 1xjj s ILE 316 CO -0.03 -0.50 0.21 0.59 0.00 0.00 0.00 174.94 175.22 1xjj n ASN 317 N 7.28 2.68 -3.88 3.58 3.02 -1.25 -4.86 115.26 121.83 1xjj n ASN 317 Ca 0.13 -0.09 -0.09 0.00 -0.03 0.00 0.00 54.58 54.50 1xjj n ASN 317 Cb 0.47 1.35 -0.06 0.00 -0.61 0.00 0.00 39.78 40.93 1xjj n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjj s SER 318 N -2.86 -0.04 0.52 6.41 0.15 -1.26 -4.39 113.70 112.23 1xjj s SER 318 Ca -0.02 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 55.95 1xjj s SER 318 Cb 0.06 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1xjj s SER 318 CO 0.36 -0.92 0.30 0.42 1.20 0.00 0.00 173.24 174.61 1xjj s THR 319 N -3.93 1.63 0.92 6.45 -4.23 -1.26 -1.94 115.64 113.28 1xjj s THR 319 Ca 0.13 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 58.90 1xjj s THR 319 Cb 0.02 -2.24 0.15 0.00 1.34 0.00 0.00 72.50 71.78 1xjj s THR 319 CO -0.02 0.00 1.19 0.54 -0.54 0.00 0.00 174.62 175.79 1xjj s ASN 320 N -4.16 3.45 0.53 3.99 4.22 -0.98 -4.09 114.94 117.89 1xjj s ASN 320 Ca 0.29 0.73 0.26 0.00 -2.14 0.00 0.00 52.86 52.00 1xjj s ASN 320 Cb -0.01 -1.13 1.40 0.00 1.28 0.00 0.00 41.25 42.79 1xjj s ASN 320 CO 0.18 -2.56 1.96 -0.65 -2.04 0.00 0.00 177.10 173.98 1xjj h PRO 321 N -1.51 0.03 -0.08 3.55 0.11 -1.81 -1.89 132.00 130.39 1xjj h PRO 321 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xjj h PRO 321 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1xjj h PRO 321 CO 0.55 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.36 1xjj n GLY 323 N 1.35 3.22 0.16 0.00 0.00 -0.71 -4.65 105.19 104.56 1xjj n GLY 323 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1xjj n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xjj h GLU 324 N 1.75 0.00 -5.18 1.61 9.09 -1.82 -3.41 114.58 116.63 1xjj h GLU 324 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 59.36 58.74 1xjj h GLU 324 Cb 0.00 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 26.77 1xjj h GLU 324 CO 0.00 0.00 -0.85 0.42 0.05 0.00 0.00 179.01 178.63 1xjj s ILE 325 N -3.18 2.22 -0.04 -1.06 -1.09 -1.26 -0.27 121.20 116.52 1xjj s ILE 325 Ca 0.08 -0.92 -0.24 0.00 -2.23 0.00 0.00 60.65 57.33 1xjj s ILE 325 Cb 0.08 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1xjj s ILE 325 CO 0.66 0.54 0.74 -0.83 -1.23 0.00 0.00 174.94 174.82 1xjj s GLY 326 N 0.88 2.69 0.01 6.18 0.00 -1.26 -2.33 107.32 113.49 1xjj s GLY 326 Ca -0.05 0.20 0.04 0.00 0.00 0.00 0.00 44.72 44.92 1xjj s GLY 326 CO -0.03 1.21 -0.13 1.08 0.00 0.00 0.00 173.10 175.23 1xjj s LEU 327 N 0.65 2.07 0.00 0.66 1.43 -0.82 -5.00 118.68 117.67 1xjj s LEU 327 Ca 0.39 -0.30 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 1xjj s LEU 327 Cb -0.19 -0.64 0.25 0.00 0.03 0.00 0.00 46.19 45.64 1xjj s LEU 327 CO 0.20 0.12 1.25 -1.54 0.23 0.00 0.00 176.35 176.61 1xjj n SER 328 N 2.49 -0.53 -4.73 2.29 3.41 -1.26 -3.90 113.62 111.40 1xjj n SER 328 Ca -0.15 -1.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.65 1xjj n SER 328 Cb 0.55 -1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 1xjj n SER 328 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xjj s ASP 329 N -5.43 6.68 0.00 4.04 -0.00 -1.26 -1.89 116.67 118.81 1xjj s ASP 329 Ca 0.74 2.56 0.00 0.00 -0.00 0.00 0.00 52.55 55.84 1xjj s ASP 329 Cb -0.03 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 1xjj s ASP 329 CO 0.53 -0.72 0.00 -1.22 -0.00 0.00 0.00 175.17 173.76 1xjj n TYR 330 N 3.27 0.00 -2.87 4.23 4.01 -0.46 -4.96 117.16 120.38 1xjj n TYR 330 Ca 0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.50 1xjj n TYR 330 Cb 0.40 -0.88 -0.07 0.00 -0.31 0.00 0.00 39.34 38.49 1xjj n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjj s GLU 331 N -0.68 4.29 0.24 -0.72 2.12 -0.79 -4.12 118.70 119.05 1xjj s GLU 331 Ca 0.00 1.10 0.05 0.00 0.36 0.00 0.00 54.97 56.47 1xjj s GLU 331 Cb 0.00 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 1xjj s GLU 331 CO 0.00 0.11 -0.03 0.00 -0.54 0.00 0.00 175.26 174.79 1xjj s ALA 332 N -1.96 1.98 -0.12 6.30 0.00 -1.26 -2.36 121.76 124.34 1xjj s ALA 332 Ca 0.56 -1.79 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 1xjj s ALA 332 Cb -0.12 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.38 1xjj s ALA 332 CO 0.17 -0.17 0.30 0.00 0.00 0.00 0.00 175.76 176.06 1xjj s ASN 334 N 0.61 5.89 0.30 0.00 4.22 -1.26 -2.41 114.94 122.30 1xjj s ASN 334 Ca -0.04 0.32 0.09 0.00 -2.14 0.00 0.00 52.86 51.09 1xjj s ASN 334 Cb -0.05 -1.82 -0.04 0.00 1.28 0.00 0.00 41.25 40.62 1xjj s ASN 334 CO -0.04 0.39 0.10 -0.76 -2.04 0.00 0.00 177.10 174.76 1xjj s LEU 335 N -0.93 3.32 -0.06 3.54 1.43 -1.26 -2.22 118.68 122.50 1xjj s LEU 335 Ca 0.14 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 1xjj s LEU 335 Cb -0.12 -1.82 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1xjj s LEU 335 CO 0.03 -0.16 0.77 -0.83 0.23 0.00 0.00 176.35 176.39 1xjj s GLY 336 N -3.79 -0.49 -0.02 -3.19 0.00 -0.82 -0.28 107.32 98.71 1xjj s GLY 336 Ca 0.35 1.43 0.03 0.00 0.00 0.00 0.00 44.72 46.53 1xjj s GLY 336 CO 0.22 0.88 -0.11 -0.56 0.00 0.00 0.00 173.10 173.53 1xjj s SER 337 N -1.36 1.43 -0.09 1.64 0.01 -0.04 -0.25 113.70 115.04 1xjj s SER 337 Ca -0.07 -0.22 -0.21 0.00 1.31 0.00 0.00 55.95 56.76 1xjj s SER 337 Cb -0.00 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 1xjj s SER 337 CO 0.05 0.10 0.60 -0.63 0.41 0.00 0.00 173.24 173.77 1xjj s ILE 338 N 0.05 5.11 -0.81 1.44 1.01 -0.05 -1.36 121.20 126.58 1xjj s ILE 338 Ca -0.01 1.23 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 1xjj s ILE 338 Cb -0.08 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.49 1xjj s ILE 338 CO 0.01 0.29 1.29 -0.62 0.00 0.00 0.00 174.94 175.90 1xjj s ASP 339 N 0.69 6.27 0.34 3.58 2.15 0.25 -1.13 116.67 128.81 1xjj s ASP 339 Ca 0.32 -0.83 0.26 0.00 0.43 0.00 0.00 52.55 52.73 1xjj s ASP 339 Cb -0.17 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 40.99 1xjj s ASP 339 CO 0.15 -1.68 1.79 -0.37 -0.17 0.00 0.00 175.17 174.88 1xjj h VAL 340 N 6.22 0.00 0.00 1.11 -1.51 -1.56 -2.62 116.25 117.89 1xjj h VAL 340 Ca -0.14 -0.32 -0.03 0.00 -1.23 0.00 0.00 66.70 64.99 1xjj h VAL 340 Cb 1.04 1.13 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1xjj h VAL 340 CO 1.30 0.00 -0.12 0.00 -1.23 0.00 0.00 177.57 177.52 1xjj h ALA 341 N 2.20 1.30 0.00 5.19 0.00 -1.76 -1.98 119.26 124.21 1xjj h ALA 341 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xjj h ALA 341 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xjj h ALA 341 CO 0.00 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.03 1xjj n LYS 342 N -3.67 0.45 -0.31 0.00 5.02 -0.99 -2.98 118.16 115.68 1xjj n LYS 342 Ca -0.02 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1xjj n LYS 342 Cb 0.24 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.03 1xjj n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjj n PHE 343 N -1.27 0.82 -2.30 2.13 3.01 -0.75 -4.93 117.46 114.18 1xjj n PHE 343 Ca 0.14 -0.42 -0.42 0.00 1.01 0.00 0.00 57.45 57.77 1xjj n PHE 343 Cb 0.23 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 1xjj n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjj s TYR 344 N -1.15 3.35 -0.25 1.38 5.04 -1.16 -1.01 117.35 123.55 1xjj s TYR 344 Ca 0.45 1.24 -0.02 0.00 -2.44 0.00 0.00 57.07 56.30 1xjj s TYR 344 Cb 0.24 -3.53 0.11 0.00 0.35 0.00 0.00 41.96 39.14 1xjj s TYR 344 CO 0.32 -1.65 0.25 1.21 -1.34 0.00 0.00 175.55 174.34 1xjj s ASN 345 N 0.60 1.76 -1.42 4.32 3.04 0.24 -4.89 114.94 118.60 1xjj s ASN 345 Ca 0.58 -0.59 -0.00 0.00 0.04 0.00 0.00 52.86 52.89 1xjj s ASN 345 Cb -0.34 0.36 0.00 0.00 -1.54 0.00 0.00 41.25 39.73 1xjj s ASN 345 CO 0.34 -0.37 0.38 0.59 -3.04 0.00 0.00 177.10 175.00 1xjj n ASN 346 N 5.31 -0.21 0.00 -4.21 5.03 -1.26 -1.93 115.26 117.99 1xjj n ASN 346 Ca -0.04 -1.03 0.00 0.00 0.87 0.00 0.00 54.58 54.38 1xjj n ASN 346 Cb 0.47 -2.94 0.00 0.00 -1.02 0.00 0.00 39.78 36.30 1xjj n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjj n GLY 347 N -2.03 0.70 3.19 7.41 0.00 -1.26 -5.04 105.19 108.15 1xjj n GLY 347 Ca -0.31 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1xjj n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjj s PHE 348 N -2.59 0.79 -0.12 1.61 0.40 -0.81 -5.01 117.98 112.25 1xjj s PHE 348 Ca 0.00 -1.15 -0.25 0.00 -0.60 0.00 0.00 56.93 54.93 1xjj s PHE 348 Cb 0.00 -0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.10 1xjj s PHE 348 CO 0.00 -0.56 0.78 0.08 0.70 0.00 0.00 175.22 176.22 1xjj s VAL 349 N -4.04 4.95 -1.08 -0.44 1.01 -1.26 0.79 120.40 120.33 1xjj s VAL 349 Ca 0.23 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.56 1xjj s VAL 349 Cb 0.07 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xjj s VAL 349 CO 0.02 0.12 1.59 -0.62 0.00 0.00 0.00 175.10 176.21 1xjj s ASP 350 N 1.03 6.38 0.57 3.32 -1.08 -0.18 -4.77 116.67 121.94 1xjj s ASP 350 Ca 0.38 -1.62 0.35 0.00 -0.52 0.00 0.00 52.55 51.14 1xjj s ASP 350 Cb -0.17 -2.57 1.69 0.00 -1.46 0.00 0.00 42.92 40.40 1xjj s ASP 350 CO 0.15 -1.62 2.11 -0.07 0.52 0.00 0.00 175.17 176.27 1xjj h LEU 351 N 13.48 0.00 0.08 -1.34 3.38 -1.93 -2.40 115.31 126.58 1xjj h LEU 351 Ca 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1xjj h LEU 351 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1xjj h LEU 351 CO 1.41 0.04 -0.04 -0.08 0.09 0.00 0.00 178.44 179.86 1xjj h GLU 352 N 0.00 -0.11 -0.11 1.13 4.81 -1.86 -2.01 114.58 116.44 1xjj h GLU 352 Ca -0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1xjj h GLU 352 Cb 0.33 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1xjj h GLU 352 CO 0.01 0.21 -0.23 0.00 -0.73 0.00 0.00 179.01 178.26 1xjj h ALA 353 N 0.45 1.41 -0.14 2.92 0.00 -1.41 -3.04 119.26 119.45 1xjj h ALA 353 Ca -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xjj h ALA 353 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xjj h ALA 353 CO 0.02 0.41 -0.03 1.25 0.00 0.00 0.00 179.25 180.90 1xjj h LEU 354 N 0.17 0.27 -0.14 0.00 5.85 -1.17 -1.08 115.31 119.22 1xjj h LEU 354 Ca 0.03 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1xjj h LEU 354 Cb 0.51 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1xjj h LEU 354 CO 0.04 0.57 -0.11 -0.61 -0.34 0.00 0.00 178.44 177.99 1xjj h GLN 355 N -0.04 -0.11 -0.53 1.25 4.15 -1.30 0.87 115.11 119.40 1xjj h GLN 355 Ca 0.04 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1xjj h GLN 355 Cb 0.45 0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 1xjj h GLN 355 CO 0.01 -0.07 0.01 0.93 -1.93 0.00 0.00 178.83 177.78 1xjj h GLU 356 N -0.11 0.12 -0.18 1.69 5.08 -1.44 -1.94 114.58 117.81 1xjj h GLU 356 Ca 0.09 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1xjj h GLU 356 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1xjj h GLU 356 CO -0.21 0.08 -0.29 1.25 -1.00 0.00 0.00 179.01 178.84 1xjj h LEU 357 N 0.13 0.34 -0.67 1.33 5.85 0.03 -2.16 115.31 120.16 1xjj h LEU 357 Ca 0.27 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1xjj h LEU 357 Cb 0.41 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1xjj h LEU 357 CO -0.44 0.63 0.04 0.58 -0.34 0.00 0.00 178.44 178.91 1xjj h VAL 358 N 0.30 1.26 -0.64 1.05 2.07 -0.23 0.40 116.25 120.46 1xjj h VAL 358 Ca 0.04 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1xjj h VAL 358 Cb 0.67 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1xjj h VAL 358 CO 0.05 0.41 0.19 1.56 0.02 0.00 0.00 177.57 179.79 1xjj h GLN 359 N 0.98 0.99 -0.15 1.57 4.20 -1.15 -1.45 115.11 120.10 1xjj h GLN 359 Ca 0.18 -0.21 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 1xjj h GLN 359 Cb 0.51 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1xjj h GLN 359 CO 0.02 0.86 -0.32 0.82 -0.67 0.00 0.00 178.83 179.55 1xjj h ILE 360 N 0.96 1.36 -0.61 2.54 2.04 -0.94 -2.91 117.51 119.94 1xjj h ILE 360 Ca 0.21 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1xjj h ILE 360 Cb 0.30 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1xjj h ILE 360 CO -0.01 0.47 0.39 0.00 0.00 0.00 0.00 178.15 179.01 1xjj h ALA 361 N 0.56 0.78 -0.20 1.87 0.00 -0.10 -1.66 119.26 120.50 1xjj h ALA 361 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xjj h ALA 361 Cb 0.92 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xjj h ALA 361 CO 0.07 0.18 0.13 0.28 0.00 0.00 0.00 179.25 179.91 1xjj h VAL 362 N 0.80 1.06 -0.79 0.00 2.07 -1.33 -0.98 116.25 117.08 1xjj h VAL 362 Ca 0.23 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1xjj h VAL 362 Cb -0.06 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1xjj h VAL 362 CO -0.07 0.06 0.51 -0.09 0.02 0.00 0.00 177.57 178.00 1xjj h ARG 363 N 0.27 0.99 -0.50 1.57 2.43 -1.35 -0.86 114.38 116.92 1xjj h ARG 363 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xjj h ARG 363 Cb -0.02 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 1xjj h ARG 363 CO -0.02 0.65 0.26 0.35 -1.51 0.00 0.00 179.97 179.71 1xjj h PHE 364 N 1.02 0.69 -0.30 2.20 3.04 -1.07 -0.08 116.94 122.43 1xjj h PHE 364 Ca 0.30 -0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 1xjj h PHE 364 Cb -0.05 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.23 1xjj h PHE 364 CO -0.02 0.52 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.40 1xjj h LEU 365 N 0.66 0.66 -0.43 0.59 3.38 -0.79 -0.44 115.31 118.95 1xjj h LEU 365 Ca 0.17 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1xjj h LEU 365 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1xjj h LEU 365 CO -0.03 0.93 -0.05 -0.78 0.09 0.00 0.00 178.44 178.61 1xjj h ASP 366 N 0.55 0.79 -0.90 -0.43 3.58 -0.84 -2.88 116.42 116.29 1xjj h ASP 366 Ca 0.06 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.25 1xjj h ASP 366 Cb 0.81 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 1xjj h ASP 366 CO 0.07 0.94 0.58 0.78 -2.88 0.00 0.00 179.24 178.73 1xjj h ASN 367 N 0.63 0.89 -0.67 2.28 4.21 -0.82 -3.01 115.58 119.08 1xjj h ASN 367 Ca 0.12 0.01 0.14 0.00 1.21 0.00 0.00 56.30 57.77 1xjj h ASN 367 Cb 0.56 -0.18 -0.10 0.00 -1.12 0.00 0.00 38.32 37.48 1xjj h ASN 367 CO 0.03 0.56 0.15 0.58 -1.29 0.00 0.00 177.43 177.47 1xjj h VAL 368 N 1.00 0.58 -0.77 2.81 2.07 -0.85 -2.19 116.25 118.90 1xjj h VAL 368 Ca 0.39 -0.09 0.17 0.00 0.82 0.00 0.00 66.70 67.99 1xjj h VAL 368 Cb 0.23 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.14 1xjj h VAL 368 CO -0.15 0.05 -0.04 0.40 0.02 0.00 0.00 177.57 177.85 1xjj h ILE 369 N 0.27 0.29 0.00 4.57 2.04 -1.54 -0.01 117.51 123.14 1xjj h ILE 369 Ca 0.37 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.17 1xjj h ILE 369 Cb 0.58 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1xjj h ILE 369 CO -0.46 0.01 -0.16 0.44 0.00 0.00 0.00 178.15 177.99 1xjj h ASP 370 N 0.07 0.00 -0.05 1.72 3.32 -1.47 -2.95 116.42 117.06 1xjj h ASP 370 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1xjj h ASP 370 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xjj h ASP 370 CO -0.71 0.16 0.00 1.33 -1.72 0.00 0.00 179.24 178.29 1xjj n VAL 371 N -3.42 0.08 -2.29 -1.35 0.24 -0.80 -4.97 118.33 105.82 1xjj n VAL 371 Ca -0.01 -0.54 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 1xjj n VAL 371 Cb 0.34 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.91 1xjj n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjj s ASN 372 N -1.17 7.01 -0.22 -1.34 3.84 -0.08 -4.92 114.94 118.05 1xjj s ASN 372 Ca 0.18 2.44 -0.01 0.00 0.21 0.00 0.00 52.86 55.68 1xjj s ASN 372 Cb 0.12 -2.63 0.02 0.00 -0.55 0.00 0.00 41.25 38.21 1xjj s ASN 372 CO 0.18 -0.37 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.32 1xjj s VAL 373 N -0.84 2.63 0.09 -5.21 1.01 0.43 -5.01 120.40 113.50 1xjj s VAL 373 Ca 0.49 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1xjj s VAL 373 Cb -0.36 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1xjj s VAL 373 CO 0.45 0.33 0.17 -0.36 0.00 0.00 0.00 175.10 175.68 1xjj s PHE 374 N 1.32 3.36 -1.49 5.22 0.40 -1.26 -3.84 117.98 121.70 1xjj s PHE 374 Ca 0.02 0.14 0.20 0.00 -0.60 0.00 0.00 56.93 56.69 1xjj s PHE 374 Cb -0.15 -1.67 1.01 0.00 0.51 0.00 0.00 43.02 42.72 1xjj s PHE 374 CO -0.07 0.55 1.61 -0.35 0.70 0.00 0.00 175.22 177.66 1xjj n PRO 375 N 0.16 0.32 -3.68 0.24 -0.04 -1.26 -4.71 135.00 126.03 1xjj n PRO 375 Ca -0.07 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.33 1xjj n PRO 375 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1xjj n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xjj s ILE 376 N -2.51 -0.25 0.43 0.52 1.01 -1.26 -5.05 121.20 114.09 1xjj s ILE 376 Ca 0.20 0.29 0.09 0.00 0.00 0.00 0.00 60.65 61.23 1xjj s ILE 376 Cb 0.13 -0.34 0.25 0.00 0.01 0.00 0.00 42.46 42.52 1xjj s ILE 376 CO 0.29 0.12 2.06 0.44 0.00 0.00 0.00 174.94 177.85 1xjj h ASP 377 N 8.06 0.35 -0.01 3.58 3.32 -2.00 -1.59 116.42 128.13 1xjj h ASP 377 Ca -0.21 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1xjj h ASP 377 Cb 1.12 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 1xjj h ASP 377 CO 0.20 0.28 -0.02 0.11 -1.72 0.00 0.00 179.24 178.10 1xjj h LYS 378 N 0.41 0.09 -0.00 3.56 1.57 -1.96 -0.76 116.57 119.47 1xjj h LYS 378 Ca 0.11 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1xjj h LYS 378 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xjj h LYS 378 CO -0.02 0.12 -0.14 0.82 -0.57 0.00 0.00 179.45 179.66 1xjj h ILE 379 N 0.09 1.57 -0.53 1.86 2.04 -1.45 -1.48 117.51 119.61 1xjj h ILE 379 Ca 0.02 -1.86 0.11 0.00 1.00 0.00 0.00 64.86 64.12 1xjj h ILE 379 Cb 0.10 2.77 -0.10 0.00 -0.74 0.00 0.00 36.82 38.85 1xjj h ILE 379 CO 0.00 0.50 -0.14 0.74 0.00 0.00 0.00 178.15 179.26 1xjj h THR 380 N -0.60 0.47 -0.12 -0.27 2.02 -1.15 -1.18 112.91 112.08 1xjj h THR 380 Ca -0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1xjj h THR 380 Cb 0.89 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1xjj h THR 380 CO 0.03 0.00 0.06 0.50 0.37 0.00 0.00 175.52 176.48 1xjj h LYS 381 N -0.00 0.12 -0.85 6.66 3.64 -1.19 -1.92 116.57 123.02 1xjj h LYS 381 Ca 0.25 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1xjj h LYS 381 Cb 0.39 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1xjj h LYS 381 CO -0.54 0.08 0.44 0.00 -2.27 0.00 0.00 179.45 177.16 1xjj h ALA 382 N 1.06 1.17 -0.57 5.00 0.00 -0.72 -2.50 119.26 122.69 1xjj h ALA 382 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xjj h ALA 382 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1xjj h ALA 382 CO -0.03 0.65 0.11 0.28 0.00 0.00 0.00 179.25 180.26 1xjj h VAL 383 N 1.20 1.25 -0.30 0.00 2.07 -1.18 -2.78 116.25 116.52 1xjj h VAL 383 Ca 0.30 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1xjj h VAL 383 Cb 0.07 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1xjj h VAL 383 CO -0.04 0.35 -0.06 0.11 0.02 0.00 0.00 177.57 177.94 1xjj h LYS 384 N 0.83 0.48 0.07 1.57 1.57 -1.05 0.20 116.57 120.23 1xjj h LYS 384 Ca 0.18 -0.12 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 1xjj h LYS 384 Cb 0.39 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1xjj h LYS 384 CO 0.01 0.56 -1.11 0.93 -0.57 0.00 0.00 179.45 179.27 1xjj h GLU 385 N 0.45 0.21 0.00 3.15 5.08 -1.41 -3.40 114.58 118.66 1xjj h GLU 385 Ca 0.09 -0.32 -0.36 0.00 -1.00 0.00 0.00 59.36 57.77 1xjj h GLU 385 Cb 0.39 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1xjj h GLU 385 CO 0.02 1.12 -2.36 0.43 -1.00 0.00 0.00 179.01 177.22 1xjj n SER 386 N -3.53 1.91 -3.74 1.42 7.64 -1.06 -2.61 113.62 113.65 1xjj n SER 386 Ca -0.06 -0.11 -0.26 0.00 1.01 0.00 0.00 58.87 59.45 1xjj n SER 386 Cb 0.96 -0.21 0.05 0.00 -1.01 0.00 0.00 64.21 64.00 1xjj n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjj n ARG 387 N -3.14 -6.54 -1.81 1.43 1.74 0.68 -1.54 116.66 107.48 1xjj n ARG 387 Ca -0.41 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 1xjj n ARG 387 Cb 0.97 -5.65 -0.01 0.00 -1.02 0.00 0.00 32.46 26.75 1xjj n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xjj s ARG 388 N -6.37 4.14 0.25 5.56 3.52 -1.26 -3.88 118.95 120.90 1xjj s ARG 388 Ca 0.54 2.54 0.08 0.00 -0.13 0.00 0.00 55.73 58.76 1xjj s ARG 388 Cb -0.26 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 1xjj s ARG 388 CO 0.78 -0.59 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.06 1xjj s LEU 389 N -0.77 2.54 -0.50 -0.88 1.43 -0.48 -4.32 118.68 115.70 1xjj s LEU 389 Ca 0.61 -1.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 1xjj s LEU 389 Cb -0.47 -0.75 0.21 0.00 0.03 0.00 0.00 46.19 45.22 1xjj s LEU 389 CO 0.50 -0.20 0.51 0.61 0.23 0.00 0.00 176.35 178.00 1xjj n GLY 390 N -0.52 3.25 3.69 -3.19 0.00 -0.94 -3.34 105.19 104.14 1xjj n GLY 390 Ca -0.06 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1xjj n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjj s LEU 391 N -1.14 4.25 0.00 0.99 2.96 0.90 -1.95 118.68 124.69 1xjj s LEU 391 Ca 0.34 1.44 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 1xjj s LEU 391 Cb 0.09 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1xjj s LEU 391 CO -0.13 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 1xjj n GLY 392 N 3.15 6.03 3.20 7.98 0.00 0.65 -0.95 105.19 125.25 1xjj n GLY 392 Ca 0.06 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 1xjj n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjj s ILE 393 N -0.36 1.04 0.31 -0.61 -4.36 -1.26 -0.87 121.20 115.09 1xjj s ILE 393 Ca 0.00 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 58.65 1xjj s ILE 393 Cb 0.00 -1.52 -0.04 0.00 1.25 0.00 0.00 42.46 42.15 1xjj s ILE 393 CO 0.00 -0.60 0.14 0.00 0.24 0.00 0.00 174.94 174.72 1xjj s MET 394 N -3.05 1.61 0.00 0.37 0.23 -0.29 -4.02 119.30 114.15 1xjj s MET 394 Ca 0.09 -1.92 0.00 0.00 -1.03 0.00 0.00 55.69 52.83 1xjj s MET 394 Cb -0.01 -0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.02 1xjj s MET 394 CO 0.00 -0.40 0.00 0.41 -2.03 0.00 0.00 175.02 173.00 1xjj n GLY 395 N -0.61 0.89 0.20 3.16 0.00 0.30 -1.55 105.19 107.57 1xjj n GLY 395 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1xjj n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjj h PHE 396 N 0.00 0.39 -0.40 1.61 3.57 -1.79 0.08 116.94 120.40 1xjj h PHE 396 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1xjj h PHE 396 Cb 0.00 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1xjj h PHE 396 CO 0.00 0.17 -0.29 0.00 -2.23 0.00 0.00 178.31 175.97 1xjj h ALA 397 N 1.28 0.74 -0.49 2.41 0.00 -1.80 -1.01 119.26 120.40 1xjj h ALA 397 Ca 0.22 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1xjj h ALA 397 Cb 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xjj h ALA 397 CO -0.18 0.66 -0.07 -0.44 0.00 0.00 0.00 179.25 179.22 1xjj h ASP 398 N 0.73 0.84 -0.55 0.00 3.32 -1.81 -1.87 116.42 117.09 1xjj h ASP 398 Ca 0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1xjj h ASP 398 Cb 0.84 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1xjj h ASP 398 CO 0.07 0.95 0.32 0.25 -1.72 0.00 0.00 179.24 179.11 1xjj h LEU 399 N 0.78 0.67 -1.39 1.55 5.85 -0.73 -2.13 115.31 119.91 1xjj h LEU 399 Ca 0.14 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1xjj h LEU 399 Cb 0.57 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1xjj h LEU 399 CO 0.03 0.55 0.43 -0.07 -0.34 0.00 0.00 178.44 179.04 1xjj h LEU 400 N 0.74 0.70 -0.79 2.25 3.38 -0.89 -1.07 115.31 119.63 1xjj h LEU 400 Ca 0.20 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1xjj h LEU 400 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1xjj h LEU 400 CO -0.03 0.49 0.14 1.88 0.09 0.00 0.00 178.44 181.01 1xjj h TYR 401 N 0.82 1.10 0.00 1.13 0.05 -1.00 -0.52 116.97 118.55 1xjj h TYR 401 Ca 0.25 -0.13 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 1xjj h TYR 401 Cb -0.01 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1xjj h TYR 401 CO -0.00 0.91 -0.45 0.87 -1.05 0.00 0.00 178.16 178.45 1xjj h LYS 402 N 1.00 0.00 -0.07 4.88 1.57 -0.67 -2.73 116.57 120.55 1xjj h LYS 402 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1xjj h LYS 402 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xjj h LYS 402 CO 0.01 0.45 0.00 1.28 -0.57 0.00 0.00 179.45 180.61 1xjj n LEU 403 N -3.99 1.74 -3.79 2.94 4.77 -0.49 -4.89 117.00 113.29 1xjj n LEU 403 Ca -0.02 -0.63 -0.27 0.00 -0.03 0.00 0.00 56.01 55.06 1xjj n LEU 403 Cb 0.47 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1xjj n LEU 403 CO 0.40 0.32 0.12 -0.62 -1.33 0.00 0.00 177.39 176.28 1xjj n GLU 404 N 0.36 -6.14 -4.42 3.23 1.02 -0.79 -5.00 120.64 108.90 1xjj n GLU 404 Ca 0.18 0.67 -0.34 0.00 -0.02 0.00 0.00 57.16 57.65 1xjj n GLU 404 Cb 0.38 -5.57 -0.14 0.00 -0.02 0.00 0.00 31.44 26.08 1xjj n GLU 404 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xjj s ILE 405 N -3.35 3.14 0.10 -3.67 1.01 -0.27 -4.94 121.20 113.22 1xjj s ILE 405 Ca 0.54 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 60.28 1xjj s ILE 405 Cb -0.26 -2.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.77 1xjj s ILE 405 CO 0.80 0.49 1.36 -2.84 0.00 0.00 0.00 174.94 174.75 1xjj s PRO 406 N 0.78 4.33 0.25 2.79 0.02 -1.26 -4.43 135.00 137.49 1xjj s PRO 406 Ca -0.04 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 62.95 1xjj s PRO 406 Cb -0.15 -3.29 0.30 0.00 0.02 0.00 0.00 34.50 31.39 1xjj s PRO 406 CO 0.01 -0.42 1.90 -0.92 -0.33 0.00 0.00 177.00 177.24 1xjj h TYR 407 N 6.88 1.17 -0.54 6.54 5.03 -1.83 -3.11 116.97 131.11 1xjj h TYR 407 Ca -0.42 0.03 -0.72 0.00 2.58 0.00 0.00 58.73 60.20 1xjj h TYR 407 Cb 1.21 -0.39 -0.07 0.00 1.55 0.00 0.00 36.73 39.02 1xjj h TYR 407 CO 0.67 0.67 2.82 0.27 -1.32 0.00 0.00 178.16 181.27 1xjj n ASN 408 N -4.48 5.29 -3.67 -2.11 6.94 -1.26 -4.74 115.26 111.23 1xjj n ASN 408 Ca 0.13 -2.92 -0.15 0.00 -0.02 0.00 0.00 54.58 51.62 1xjj n ASN 408 Cb 0.09 -1.56 -0.08 0.00 -2.36 0.00 0.00 39.78 35.87 1xjj n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjj s SER 409 N 2.06 -0.35 0.44 0.53 1.04 -1.17 -5.02 113.70 111.22 1xjj s SER 409 Ca 0.48 0.28 0.11 0.00 0.48 0.00 0.00 55.95 57.30 1xjj s SER 409 Cb 0.14 0.40 0.99 0.00 0.10 0.00 0.00 66.02 67.64 1xjj s SER 409 CO -0.06 -0.52 2.04 -0.61 0.98 0.00 0.00 173.24 175.07 1xjj h GLN 410 N 3.49 0.40 -0.09 4.02 5.75 -1.90 -2.59 115.11 124.20 1xjj h GLN 410 Ca -0.29 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.22 1xjj h GLN 410 Cb 1.17 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.58 1xjj h GLN 410 CO 0.40 0.27 -0.16 1.49 -2.65 0.00 0.00 178.83 178.18 1xjj h GLU 411 N 0.42 -0.21 -0.90 1.69 4.81 -1.95 0.13 114.58 118.56 1xjj h GLU 411 Ca 0.17 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.47 1xjj h GLU 411 Cb 0.17 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1xjj h GLU 411 CO -0.04 -0.14 0.59 0.00 -0.73 0.00 0.00 179.01 178.69 1xjj h ALA 412 N 0.79 1.47 0.04 2.92 0.00 -1.65 0.10 119.26 122.93 1xjj h ALA 412 Ca 0.08 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 1xjj h ALA 412 Cb 0.34 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xjj h ALA 412 CO -0.22 0.41 -1.05 0.00 0.00 0.00 0.00 179.25 178.39 1xjj h ARG 413 N 1.07 0.47 -0.41 0.00 3.08 -1.13 0.13 114.38 117.58 1xjj h ARG 413 Ca 0.38 -0.56 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 1xjj h ARG 413 Cb 0.12 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1xjj h ARG 413 CO -0.13 1.20 0.08 -0.44 -1.07 0.00 0.00 179.97 179.61 1xjj h ASP 414 N 0.24 0.65 -0.23 7.04 3.32 -0.56 -0.31 116.42 126.56 1xjj h ASP 414 Ca -0.11 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.74 1xjj h ASP 414 Cb 1.71 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 41.03 1xjj h ASP 414 CO 0.19 0.73 -0.11 0.15 -1.72 0.00 0.00 179.24 178.48 1xjj h PHE 415 N 0.54 -0.27 -0.12 4.55 3.57 -0.87 -1.85 116.94 122.48 1xjj h PHE 415 Ca 0.13 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1xjj h PHE 415 Cb 0.35 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1xjj h PHE 415 CO 0.02 -0.18 0.01 0.00 -2.23 0.00 0.00 178.31 175.93 1xjj h ALA 416 N 1.10 0.11 -0.89 2.41 0.00 -0.56 0.55 119.26 121.97 1xjj h ALA 416 Ca 0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xjj h ALA 416 Cb 0.27 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1xjj h ALA 416 CO -0.29 -0.45 0.58 0.00 0.00 0.00 0.00 179.25 179.10 1xjj h ALA 417 N 1.09 1.16 -0.25 0.00 0.00 -1.00 -1.22 119.26 119.05 1xjj h ALA 417 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1xjj h ALA 417 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1xjj h ALA 417 CO -0.08 0.47 -0.50 -0.91 0.00 0.00 0.00 179.25 178.23 1xjj h ASN 418 N 1.16 0.76 0.12 0.00 2.35 -0.46 -0.02 115.58 119.49 1xjj h ASN 418 Ca 0.35 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1xjj h ASN 418 Cb -0.05 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1xjj h ASN 418 CO -0.10 1.13 -0.09 0.25 -1.65 0.00 0.00 177.43 176.96 1xjj h LEU 419 N 0.54 -0.24 -0.40 1.61 5.85 -0.72 0.03 115.31 121.98 1xjj h LEU 419 Ca 0.02 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1xjj h LEU 419 Cb 1.06 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1xjj h LEU 419 CO 0.10 -0.15 0.18 -0.03 -0.34 0.00 0.00 178.44 178.20 1xjj h MET 420 N -0.22 0.58 -0.76 1.25 4.05 -1.12 -0.47 114.93 118.24 1xjj h MET 420 Ca -0.00 -0.10 0.11 0.00 -0.28 0.00 0.00 59.70 59.44 1xjj h MET 420 Cb 0.20 -0.10 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 1xjj h MET 420 CO -0.01 0.53 0.37 0.00 0.23 0.00 0.00 176.91 178.03 1xjj h ALA 421 N 1.02 1.08 -0.23 0.39 0.00 -0.89 0.45 119.26 121.08 1xjj h ALA 421 Ca 0.13 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1xjj h ALA 421 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1xjj h ALA 421 CO -0.01 -0.07 0.03 0.35 0.00 0.00 0.00 179.25 179.55 1xjj h PHE 422 N 0.59 0.41 -0.53 0.00 3.57 -0.47 -0.00 116.94 120.51 1xjj h PHE 422 Ca 0.39 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1xjj h PHE 422 Cb 0.48 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1xjj h PHE 422 CO -0.11 0.52 0.32 0.82 -2.23 0.00 0.00 178.31 177.63 1xjj h ILE 423 N 0.19 1.08 -0.71 1.41 2.04 -0.80 -2.09 117.51 118.63 1xjj h ILE 423 Ca 0.07 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1xjj h ILE 423 Cb 0.33 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1xjj h ILE 423 CO 0.01 0.12 0.31 0.00 0.00 0.00 0.00 178.15 178.58 1xjj h ALA 424 N 1.22 0.91 -0.02 1.87 0.00 0.19 -1.40 119.26 122.04 1xjj h ALA 424 Ca 0.21 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xjj h ALA 424 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1xjj h ALA 424 CO -0.08 0.51 -0.10 1.25 0.00 0.00 0.00 179.25 180.83 1xjj h LEU 425 N 1.00 -0.29 -0.66 0.00 5.85 -0.82 -1.27 115.31 119.12 1xjj h LEU 425 Ca 0.24 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1xjj h LEU 425 Cb 0.17 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xjj h LEU 425 CO -0.02 -0.14 -0.26 0.45 -0.34 0.00 0.00 178.44 178.12 1xjj h HIS 426 N -0.16 0.00 -0.02 1.25 3.86 -1.17 -1.99 115.15 116.92 1xjj h HIS 426 Ca 0.04 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 1xjj h HIS 426 Cb 0.22 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.69 1xjj h HIS 426 CO -0.17 0.26 -0.35 0.00 0.86 0.00 0.00 177.93 178.54 1xjj h ALA 427 N 1.74 0.07 -0.10 2.45 0.00 -1.13 -0.23 119.26 122.06 1xjj h ALA 427 Ca -0.00 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1xjj h ALA 427 Cb 0.95 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xjj h ALA 427 CO 0.03 0.17 -0.21 0.45 0.00 0.00 0.00 179.25 179.70 1xjj h HIS 428 N -0.30 0.18 -0.17 0.00 -0.00 -1.25 -1.31 115.15 112.30 1xjj h HIS 428 Ca -0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1xjj h HIS 428 Cb 1.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1xjj h HIS 428 CO 0.15 0.38 -0.01 -0.09 -0.00 0.00 0.00 177.93 178.36 1xjj h ARG 429 N 0.16 0.30 -0.88 2.45 2.43 -1.34 -1.76 114.38 115.74 1xjj h ARG 429 Ca 0.03 -0.10 0.18 0.00 -0.81 0.00 0.00 59.98 59.27 1xjj h ARG 429 Cb 0.47 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 1xjj h ARG 429 CO 0.03 0.53 0.58 1.15 -1.51 0.00 0.00 179.97 180.75 1xjj h THR 430 N 0.04 0.74 -0.14 0.20 2.02 -0.77 -1.10 112.91 113.89 1xjj h THR 430 Ca 0.05 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.86 1xjj h THR 430 Cb 0.41 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xjj h THR 430 CO 0.01 0.09 -0.68 -1.28 0.37 0.00 0.00 175.52 174.04 1xjj h SER 431 N 0.52 0.65 0.24 4.18 0.87 -0.73 0.09 113.55 119.36 1xjj h SER 431 Ca 0.46 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1xjj h SER 431 Cb 0.97 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1xjj h SER 431 CO -0.19 1.14 -0.28 0.22 -0.53 0.00 0.00 176.83 177.19 1xjj h TYR 432 N 0.40 -0.75 -0.57 2.24 3.20 -0.78 -0.19 116.97 120.53 1xjj h TYR 432 Ca -0.02 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1xjj h TYR 432 Cb 1.26 0.30 -0.07 0.00 1.54 0.00 0.00 36.73 39.75 1xjj h TYR 432 CO 0.06 -0.40 0.18 0.93 -1.64 0.00 0.00 178.16 177.28 1xjj h GLU 433 N -0.57 0.33 -0.08 1.82 5.08 -0.88 -1.87 114.58 118.41 1xjj h GLU 433 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1xjj h GLU 433 Cb 0.54 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1xjj h GLU 433 CO -0.09 0.22 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.58 1xjj h LEU 434 N 0.34 0.22 -0.44 1.33 -0.00 -0.95 -2.07 115.31 113.75 1xjj h LEU 434 Ca 0.29 -0.11 -0.05 0.00 -0.00 0.00 0.00 57.88 58.01 1xjj h LEU 434 Cb 0.37 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 1xjj h LEU 434 CO -0.32 0.68 0.10 1.23 -0.00 0.00 0.00 178.44 180.14 1xjj h GLY 435 N 1.36 0.77 0.52 0.83 0.00 -0.85 0.17 103.07 105.87 1xjj h GLY 435 Ca 0.01 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1xjj h GLY 435 CO 0.07 0.46 -0.15 0.50 0.00 0.00 0.00 176.54 177.42 1xjj h LYS 436 N 0.58 -0.20 -0.34 4.80 1.57 -1.14 0.21 116.57 122.05 1xjj h LYS 436 Ca 0.14 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1xjj h LYS 436 Cb 0.34 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1xjj h LYS 436 CO 0.00 -0.13 -0.33 1.49 -0.57 0.00 0.00 179.45 179.91 1xjj h GLU 437 N -0.21 0.83 0.00 3.15 4.81 -1.28 -3.39 114.58 118.49 1xjj h GLU 437 Ca 0.08 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 58.81 1xjj h GLU 437 Cb 0.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1xjj h GLU 437 CO -0.21 1.07 -1.35 1.63 -0.73 0.00 0.00 179.01 179.42 1xjj n LYS 438 N -4.16 1.82 0.00 1.92 5.02 0.60 -4.08 118.16 119.28 1xjj n LYS 438 Ca -0.03 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1xjj n LYS 438 Cb 0.51 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1xjj n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjj n GLY 439 N 2.43 3.57 3.80 0.72 0.00 0.06 -4.82 105.19 110.95 1xjj n GLY 439 Ca -0.06 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1xjj n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjj s ASN 440 N 0.00 4.83 0.26 1.61 0.01 -1.23 -4.32 114.94 116.10 1xjj s ASN 440 Ca 0.00 1.52 -0.30 0.00 -0.71 0.00 0.00 52.86 53.37 1xjj s ASN 440 Cb 0.00 -2.31 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 1xjj s ASN 440 CO 0.00 -1.78 1.47 0.72 -1.51 0.00 0.00 177.10 176.00 1xjj s PHE 441 N -3.06 2.96 0.56 2.20 -0.71 -0.64 -4.85 117.98 114.43 1xjj s PHE 441 Ca 0.60 0.97 0.37 0.00 -1.04 0.00 0.00 56.93 57.83 1xjj s PHE 441 Cb -0.15 -3.88 1.52 0.00 -1.21 0.00 0.00 43.02 39.31 1xjj s PHE 441 CO 0.55 -2.88 1.75 -1.35 -1.34 0.00 0.00 175.22 171.95 1xjj h PRO 442 N 4.98 0.00 -0.67 1.99 0.11 -1.73 -1.19 132.00 135.49 1xjj h PRO 442 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xjj h PRO 442 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xjj h PRO 442 CO 0.78 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.85 1xjj n LEU 443 N -4.02 3.67 -0.23 2.35 4.77 -1.07 -4.43 117.00 118.02 1xjj n LEU 443 Ca 0.26 -1.83 -0.02 0.00 -0.03 0.00 0.00 56.01 54.39 1xjj n LEU 443 Cb 1.31 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.99 1xjj n LEU 443 CO 0.38 0.88 0.67 0.25 -1.33 0.00 0.00 177.39 178.24 1xjj h LEU 444 N 3.89 -0.93 -1.52 2.23 6.46 -1.50 -2.32 115.31 121.61 1xjj h LEU 444 Ca 0.00 0.23 0.17 0.00 -0.12 0.00 0.00 57.88 58.15 1xjj h LEU 444 Cb 0.94 0.52 -0.06 0.00 -0.73 0.00 0.00 40.66 41.34 1xjj h LEU 444 CO 0.02 -0.27 0.54 -0.33 -0.62 0.00 0.00 178.44 177.78 1xjj h GLU 445 N -0.07 0.43 -0.63 1.25 3.07 -1.83 -1.20 114.58 115.60 1xjj h GLU 445 Ca 0.30 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1xjj h GLU 445 Cb 0.54 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1xjj h GLU 445 CO -0.73 0.29 0.00 0.44 -1.40 0.00 0.00 179.01 177.61 1xjj n ILE 446 N -4.50 0.83 -3.30 3.13 -5.35 -0.89 -4.61 119.36 104.67 1xjj n ILE 446 Ca 0.16 -0.90 -0.22 0.00 -0.27 0.00 0.00 62.75 61.52 1xjj n ILE 446 Cb 0.58 0.64 -0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1xjj n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjj s SER 447 N -1.15 6.03 0.60 7.28 1.04 -0.45 -4.89 113.70 122.16 1xjj s SER 447 Ca 0.46 0.20 0.38 0.00 0.48 0.00 0.00 55.95 57.47 1xjj s SER 447 Cb 0.25 -1.63 1.82 0.00 0.10 0.00 0.00 66.02 66.56 1xjj s SER 447 CO 0.33 -0.47 2.15 0.03 0.98 0.00 0.00 173.24 176.26 1xjj h ARG 448 N 0.68 0.00 0.00 4.02 3.08 -1.22 -0.03 114.38 120.91 1xjj h ARG 448 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 1xjj h ARG 448 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 1xjj h ARG 448 CO 0.58 0.01 -0.00 1.88 -1.07 0.00 0.00 179.97 181.36 1xjj h TYR 449 N 0.00 0.00 0.00 3.04 0.05 -1.87 -2.78 116.97 115.41 1xjj h TYR 449 Ca -0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 1xjj h TYR 449 Cb 0.29 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 1xjj h TYR 449 CO 0.00 0.00 -1.81 -2.13 -1.05 0.00 0.00 178.16 173.17 1xjj n ARG 450 N -3.66 0.34 0.19 4.88 3.00 -0.15 -3.91 116.66 117.35 1xjj n ARG 450 Ca -0.03 0.10 0.12 0.00 -0.00 0.00 0.00 57.85 58.04 1xjj n ARG 450 Cb 0.09 -1.20 0.15 0.00 0.00 0.00 0.00 32.46 31.50 1xjj n ARG 450 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 1xjj h THR 451 N -0.17 0.00 -1.64 5.15 1.35 -1.30 -3.47 112.91 112.83 1xjj h THR 451 Ca -0.33 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.05 1xjj h THR 451 Cb 1.44 1.86 -0.05 0.00 -1.73 0.00 0.00 68.15 69.67 1xjj h THR 451 CO -0.11 0.00 -0.43 -1.61 -0.25 0.00 0.00 175.52 173.12 1xjj s GLU 452 N -3.23 2.49 -0.10 4.72 2.02 -1.05 -5.04 118.70 118.51 1xjj s GLU 452 Ca 0.06 -1.55 -0.01 0.00 0.02 0.00 0.00 54.97 53.50 1xjj s GLU 452 Cb 0.06 -2.30 -0.03 0.00 0.10 0.00 0.00 34.13 31.96 1xjj s GLU 452 CO 0.69 -0.09 -0.07 -0.51 0.02 0.00 0.00 175.26 175.30 1xjj s ASP 453 N -4.03 4.58 -1.19 -0.19 1.01 -1.26 -4.73 116.67 110.86 1xjj s ASP 453 Ca 0.44 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.60 1xjj s ASP 453 Cb -0.02 -1.40 0.00 0.00 1.01 0.00 0.00 42.92 42.51 1xjj s ASP 453 CO 0.26 0.28 0.00 0.59 0.21 0.00 0.00 175.17 176.51 1xjj n ASN 454 N 2.79 -4.22 -4.72 0.27 3.02 -1.26 -4.97 115.26 106.16 1xjj n ASN 454 Ca -0.18 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1xjj n ASN 454 Cb 0.53 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.63 1xjj n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjj s PHE 455 N -2.51 3.29 -0.04 3.10 5.36 -1.26 -5.03 117.98 120.90 1xjj s PHE 455 Ca 0.00 1.14 0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1xjj s PHE 455 Cb 0.00 -3.59 0.02 0.00 -0.34 0.00 0.00 43.02 39.10 1xjj s PHE 455 CO 0.00 -1.94 -0.05 0.08 -1.46 0.00 0.00 175.22 171.85 1xjj s VAL 456 N 0.67 0.54 -0.35 3.12 1.01 -1.26 -4.84 120.40 119.30 1xjj s VAL 456 Ca 0.60 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1xjj s VAL 456 Cb -0.35 -0.55 0.11 0.00 0.00 0.00 0.00 36.38 35.58 1xjj s VAL 456 CO 0.33 0.22 0.98 -0.81 0.00 0.00 0.00 175.10 175.82 1xjj n PRO 457 N 3.88 1.32 -3.60 2.72 -0.04 -1.26 -4.82 135.00 133.20 1xjj n PRO 457 Ca -0.24 -0.45 -0.09 0.00 -0.04 0.00 0.00 63.50 62.69 1xjj n PRO 457 Cb 0.52 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 1xjj n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjj s PHE 458 N -0.75 -0.35 0.36 0.54 -0.12 -1.26 -4.35 117.98 112.05 1xjj s PHE 458 Ca 0.08 0.08 0.12 0.00 -0.05 0.00 0.00 56.93 57.16 1xjj s PHE 458 Cb 0.07 0.60 0.67 0.00 -0.63 0.00 0.00 43.02 43.73 1xjj s PHE 458 CO 0.02 -0.87 1.80 0.00 -0.05 0.00 0.00 175.22 176.12 1xjj h ALA 459 N 2.00 1.33 -0.44 1.99 0.00 -1.77 -3.48 119.26 118.89 1xjj h ALA 459 Ca -0.26 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1xjj h ALA 459 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1xjj h ALA 459 CO 0.31 0.50 0.00 -1.33 0.00 0.00 0.00 179.25 178.73 1xjj n MET 460 N -4.07 0.00 0.00 0.00 0.00 0.92 -4.95 117.12 109.02 1xjj n MET 460 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1xjj n MET 460 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 1xjj n MET 460 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xjj n GLY 461 N 0.00 1.14 2.34 3.03 0.00 -1.26 -4.88 105.19 105.56 1xjj n GLY 461 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xjj n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjj n MET 462 N -1.12 1.08 -3.63 1.61 2.81 -1.26 -5.10 117.12 111.52 1xjj n MET 462 Ca 0.00 -2.94 -0.15 0.00 -1.81 0.00 0.00 57.70 52.79 1xjj n MET 462 Cb 0.00 -1.01 -0.07 0.00 -0.71 0.00 0.00 33.22 31.43 1xjj n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjj s SER 463 N -3.13 -0.43 0.64 7.83 0.15 -1.26 -4.40 113.70 113.10 1xjj s SER 463 Ca 0.30 0.37 0.41 0.00 0.70 0.00 0.00 55.95 57.73 1xjj s SER 463 Cb 0.35 0.44 2.19 0.00 -1.71 0.00 0.00 66.02 67.29 1xjj s SER 463 CO -0.09 -0.56 2.30 -0.55 1.20 0.00 0.00 173.24 175.54 1xjj h ASN 464 N 3.32 0.00 0.58 5.45 7.08 -1.97 -3.16 115.58 126.88 1xjj h ASN 464 Ca -0.29 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.93 1xjj h ASN 464 Cb 1.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1xjj h ASN 464 CO 0.40 0.01 0.00 -1.22 -2.08 0.00 0.00 177.43 174.54 1xjj n TYR 465 N -3.21 0.00 -0.22 4.14 4.01 -1.26 -4.33 117.16 116.29 1xjj n TYR 465 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xjj n TYR 465 Cb 0.11 -0.29 0.08 0.00 -0.31 0.00 0.00 39.34 38.93 1xjj n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjj h ASP 466 N 0.00 -0.51 -0.38 7.72 3.45 -1.95 0.02 116.42 124.77 1xjj h ASP 466 Ca 0.00 0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.59 1xjj h ASP 466 Cb 0.29 0.37 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1xjj h ASP 466 CO 0.00 -0.19 0.03 0.44 -1.57 0.00 0.00 179.24 177.95 1xjj h ASP 467 N 0.03 0.62 -0.67 6.45 3.32 -1.88 0.36 116.42 124.65 1xjj h ASP 467 Ca 0.32 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1xjj h ASP 467 Cb 0.51 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1xjj h ASP 467 CO -0.63 0.75 0.41 -0.33 -1.72 0.00 0.00 179.24 177.72 1xjj h GLU 468 N 0.47 0.77 -0.61 3.56 5.08 -1.60 -2.27 114.58 119.98 1xjj h GLU 468 Ca 0.11 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1xjj h GLU 468 Cb 0.42 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1xjj h GLU 468 CO 0.01 0.51 0.40 0.82 -1.00 0.00 0.00 179.01 179.76 1xjj h ILE 469 N 0.79 1.15 -0.61 3.13 2.04 -0.49 -1.75 117.51 121.77 1xjj h ILE 469 Ca 0.28 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1xjj h ILE 469 Cb 0.05 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.36 1xjj h ILE 469 CO -0.12 0.15 0.41 -0.09 0.00 0.00 0.00 178.15 178.49 1xjj h ARG 470 N 0.82 0.76 0.01 2.37 2.43 0.15 -1.18 114.38 119.75 1xjj h ARG 470 Ca 0.23 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 59.12 1xjj h ARG 470 Cb -0.09 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 1xjj h ARG 470 CO -0.05 0.50 -1.12 1.05 -1.51 0.00 0.00 179.97 178.84 1xjj h GLU 471 N 0.78 0.03 -0.40 0.20 4.11 -1.12 -2.55 114.58 115.63 1xjj h GLU 471 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.57 1xjj h GLU 471 Cb -0.02 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1xjj h GLU 471 CO -0.06 0.96 0.05 -0.24 0.07 0.00 0.00 179.01 179.79 1xjj h VAL 472 N 0.01 1.20 -0.19 -1.06 3.04 -1.04 -0.90 116.25 117.31 1xjj h VAL 472 Ca -0.06 -0.76 -0.10 0.00 -1.01 0.00 0.00 66.70 64.77 1xjj h VAL 472 Cb 1.82 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1xjj h VAL 472 CO 0.13 0.27 -0.30 0.24 -1.01 0.00 0.00 177.57 176.90 1xjj h MET 473 N 0.59 0.38 -0.38 4.17 2.86 -1.14 -2.34 114.93 119.08 1xjj h MET 473 Ca 0.13 -0.15 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 1xjj h MET 473 Cb 0.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1xjj h MET 473 CO 0.00 0.65 -0.36 0.87 1.06 0.00 0.00 176.91 179.13 1xjj h LYS 474 N 0.33 0.88 -0.34 1.72 1.57 -0.99 -2.90 116.57 116.84 1xjj h LYS 474 Ca 0.05 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1xjj h LYS 474 Cb 0.70 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1xjj h LYS 474 CO 0.05 1.09 0.21 0.52 -0.57 0.00 0.00 179.45 180.76 1xjj h MET 475 N 0.73 0.46 0.00 3.15 2.86 -0.86 -2.19 114.93 119.07 1xjj h MET 475 Ca 0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1xjj h MET 475 Cb 0.93 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.49 1xjj h MET 475 CO 0.09 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.62 1xjj n THR 476 N -4.47 0.00 -0.35 2.22 -2.24 -0.91 -1.64 114.28 106.89 1xjj n THR 476 Ca 0.02 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.88 1xjj n THR 476 Cb 0.08 -0.53 0.26 0.00 -2.10 0.00 0.00 70.33 68.04 1xjj n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjj h LYS 477 N 0.00 0.93 0.13 -0.78 3.64 -1.44 -3.31 116.57 115.74 1xjj h LYS 477 Ca 0.00 -0.06 -0.36 0.00 -1.27 0.00 0.00 60.65 58.96 1xjj h LYS 477 Cb 0.00 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1xjj h LYS 477 CO 0.00 0.62 -1.97 -1.91 -2.27 0.00 0.00 179.45 173.91 1xjj n GLU 478 N -4.61 0.76 -3.79 1.90 2.13 -0.65 -4.77 120.64 111.61 1xjj n GLU 478 Ca 0.19 0.27 -0.14 0.00 0.66 0.00 0.00 57.16 58.14 1xjj n GLU 478 Cb 0.37 -1.72 -0.15 0.00 0.27 0.00 0.00 31.44 30.21 1xjj n GLU 478 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1xjj s PHE 479 N -2.56 -0.05 -0.30 4.31 0.08 -1.23 -4.99 117.98 113.24 1xjj s PHE 479 Ca -0.21 0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 1xjj s PHE 479 Cb 0.07 -0.11 0.18 0.00 -0.57 0.00 0.00 43.02 42.59 1xjj s PHE 479 CO 0.78 -0.09 1.15 0.50 -0.10 0.00 0.00 175.22 177.46 1xjj s ARG 480 N 0.75 0.15 0.31 0.44 3.52 -1.26 -4.18 118.95 118.68 1xjj s ARG 480 Ca -0.06 0.37 0.18 0.00 -0.13 0.00 0.00 55.73 56.09 1xjj s ARG 480 Cb -0.08 0.21 0.13 0.00 -1.56 0.00 0.00 34.95 33.64 1xjj s ARG 480 CO -0.03 -0.05 1.42 -0.09 -0.81 0.00 0.00 175.30 175.74 1xjj h ARG 481 N 7.09 0.00 -3.55 5.12 9.65 -1.32 -1.70 114.38 129.67 1xjj h ARG 481 Ca -0.15 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.50 1xjj h ARG 481 Cb 1.13 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 29.42 1xjj h ARG 481 CO 0.08 0.30 -0.66 -0.80 2.80 0.00 0.00 179.97 181.69 1xjj s ASN 482 N -6.26 -0.05 0.35 -3.80 -0.87 -1.26 -3.55 114.94 99.50 1xjj s ASN 482 Ca 0.04 0.12 0.15 0.00 -1.57 0.00 0.00 52.86 51.61 1xjj s ASN 482 Cb 0.07 0.10 0.62 0.00 -0.02 0.00 0.00 41.25 42.02 1xjj s ASN 482 CO 0.73 -0.05 1.73 1.62 -2.57 0.00 0.00 177.10 178.56 1xjj h VAL 483 N 5.31 1.11 -2.69 1.60 3.04 -1.39 -3.46 116.25 119.77 1xjj h VAL 483 Ca -0.29 -1.63 0.04 0.00 -1.01 0.00 0.00 66.70 63.82 1xjj h VAL 483 Cb 1.19 1.93 -0.13 0.00 -2.01 0.00 0.00 31.29 32.27 1xjj h VAL 483 CO 0.47 0.43 0.33 0.00 -1.01 0.00 0.00 177.57 177.80 1xjj s ALA 484 N -3.73 -1.67 0.00 3.17 0.00 -1.26 -4.81 121.76 113.46 1xjj s ALA 484 Ca -0.01 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1xjj s ALA 484 Cb 0.12 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1xjj s ALA 484 CO 0.71 -0.77 0.00 1.28 0.00 0.00 0.00 175.76 176.99 1xjj n LEU 485 N -0.34 0.00 -4.25 0.00 4.32 -1.23 -1.39 117.00 114.12 1xjj n LEU 485 Ca -0.13 -0.01 -0.22 0.00 -0.02 0.00 0.00 56.01 55.63 1xjj n LEU 485 Cb 0.63 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.31 1xjj n LEU 485 CO 0.12 0.00 -0.50 -0.76 -1.22 0.00 0.00 177.39 175.03 1xjj s LEU 486 N -0.09 2.30 0.34 2.23 1.43 -1.21 -0.07 118.68 123.61 1xjj s LEU 486 Ca 0.00 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 1xjj s LEU 486 Cb 0.00 -0.77 0.05 0.00 0.03 0.00 0.00 46.19 45.50 1xjj s LEU 486 CO 0.00 0.01 0.79 0.28 0.23 0.00 0.00 176.35 177.67 1xjj s THR 487 N -1.23 0.00 -0.12 5.49 -1.32 -0.13 -2.60 115.64 115.74 1xjj s THR 487 Ca 0.04 -0.97 -0.02 0.00 -1.21 0.00 0.00 61.69 59.53 1xjj s THR 487 Cb -0.10 -2.64 0.04 0.00 -1.51 0.00 0.00 72.50 68.29 1xjj s THR 487 CO 0.04 0.00 0.02 -0.63 -2.21 0.00 0.00 174.62 171.83 1xjj s ILE 488 N -2.72 0.42 0.44 5.08 -1.09 -1.11 -3.67 121.20 118.55 1xjj s ILE 488 Ca 0.15 -0.15 0.08 0.00 -2.23 0.00 0.00 60.65 58.50 1xjj s ILE 488 Cb -0.05 -0.73 0.02 0.00 -1.58 0.00 0.00 42.46 40.12 1xjj s ILE 488 CO 0.10 0.06 0.57 0.00 -1.23 0.00 0.00 174.94 174.44 1xjj s ALA 489 N 1.93 4.49 0.41 9.38 0.00 -1.26 -0.56 121.76 136.16 1xjj s ALA 489 Ca 0.03 -1.75 0.12 0.00 0.00 0.00 0.00 51.96 50.35 1xjj s ALA 489 Cb -0.14 -1.52 0.88 0.00 0.00 0.00 0.00 23.12 22.34 1xjj s ALA 489 CO -0.06 -0.35 1.95 -1.35 0.00 0.00 0.00 175.76 175.95 1xjj h PRO 490 N 0.63 0.14 -6.69 0.00 0.11 -1.93 -3.38 132.00 120.88 1xjj h PRO 490 Ca -0.39 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.15 1xjj h PRO 490 Cb 1.28 -0.02 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 1xjj h PRO 490 CO 0.46 0.29 -0.86 0.25 -0.21 0.00 0.00 178.00 177.93 1xjj n THR 491 N -4.30 -1.72 -0.29 -1.15 -2.24 -1.26 -3.64 114.28 99.67 1xjj n THR 491 Ca -0.01 -0.22 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1xjj n THR 491 Cb 0.25 -1.95 0.07 0.00 -2.10 0.00 0.00 70.33 66.60 1xjj n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjj h GLY 492 N -1.63 1.13 0.23 3.38 0.00 -1.98 -2.56 103.07 101.65 1xjj h GLY 492 Ca -0.61 -0.43 -0.37 0.00 0.00 0.00 0.00 47.33 45.91 1xjj h GLY 492 CO 0.72 0.42 -2.17 1.44 0.00 0.00 0.00 176.54 176.95 1xjj n SER 493 N -4.51 2.02 0.22 0.19 7.64 -1.26 -4.32 113.62 113.60 1xjj n SER 493 Ca 0.08 0.11 0.07 0.00 1.01 0.00 0.00 58.87 60.15 1xjj n SER 493 Cb 0.02 -0.70 0.50 0.00 -1.01 0.00 0.00 64.21 63.03 1xjj n SER 493 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xjj h ILE 494 N -0.21 0.92 -0.02 0.44 3.07 -1.94 -1.53 117.51 118.25 1xjj h ILE 494 Ca -0.51 -0.98 -0.13 0.00 1.55 0.00 0.00 64.86 64.79 1xjj h ILE 494 Cb 1.85 1.57 -0.02 0.00 -0.27 0.00 0.00 36.82 39.96 1xjj h ILE 494 CO -0.08 0.25 -0.59 0.77 -1.05 0.00 0.00 178.15 177.45 1xjj h SER 495 N 0.00 0.06 -0.40 2.16 4.64 -1.70 -1.20 113.55 117.11 1xjj h SER 495 Ca -0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 1xjj h SER 495 Cb 0.55 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 1xjj h SER 495 CO 0.03 0.64 -0.13 0.78 -0.87 0.00 0.00 176.83 177.28 1xjj h ASN 496 N 0.04 0.80 -1.00 4.97 -0.26 -1.49 -0.36 115.58 118.28 1xjj h ASN 496 Ca -0.01 -0.38 0.09 0.00 -0.56 0.00 0.00 56.30 55.45 1xjj h ASN 496 Cb 1.06 -0.22 -0.08 0.00 -1.06 0.00 0.00 38.32 38.02 1xjj h ASN 496 CO 0.08 1.00 0.64 0.40 -1.06 0.00 0.00 177.43 178.49 1xjj h ILE 497 N 0.60 1.01 -0.01 2.81 2.04 -1.26 -2.15 117.51 120.55 1xjj h ILE 497 Ca 0.10 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1xjj h ILE 497 Cb 0.67 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1xjj h ILE 497 CO 0.05 0.20 -0.05 0.00 0.00 0.00 0.00 178.15 178.34 1xjj n ALA 498 N -2.36 2.69 -3.54 1.87 0.00 -0.46 -4.86 120.51 113.85 1xjj n ALA 498 Ca 0.17 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1xjj n ALA 498 Cb 0.26 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1xjj n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjj n ASP 499 N -0.72 -4.02 -3.42 0.00 8.00 -0.50 -4.99 116.55 110.90 1xjj n ASP 499 Ca 0.18 -0.83 -0.11 0.00 0.71 0.00 0.00 54.79 54.74 1xjj n ASP 499 Cb 0.25 -4.28 -0.03 0.00 -0.02 0.00 0.00 41.12 37.03 1xjj n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjj s THR 500 N -3.51 0.00 0.70 -3.53 -1.32 -0.26 -5.04 115.64 102.69 1xjj s THR 500 Ca 0.27 -1.37 -0.11 0.00 -1.21 0.00 0.00 61.69 59.27 1xjj s THR 500 Cb -0.07 -2.54 0.01 0.00 -1.51 0.00 0.00 72.50 68.40 1xjj s THR 500 CO 0.80 0.00 1.07 -0.94 -2.21 0.00 0.00 174.62 173.34 1xjj s SER 501 N -3.12 5.24 -0.13 8.08 1.04 -1.26 -4.48 113.70 119.06 1xjj s SER 501 Ca 0.24 1.68 -0.20 0.00 0.48 0.00 0.00 55.95 58.15 1xjj s SER 501 Cb -0.02 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1xjj s SER 501 CO 0.14 -1.54 0.55 -0.44 0.98 0.00 0.00 173.24 172.93 1xjj s SER 502 N -3.61 6.73 0.11 7.02 0.01 -1.26 -0.54 113.70 122.15 1xjj s SER 502 Ca 0.59 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1xjj s SER 502 Cb -0.15 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1xjj s SER 502 CO 0.53 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.71 1xjj n GLY 503 N 3.40 2.19 0.98 3.44 0.00 -1.24 -1.69 105.19 112.26 1xjj n GLY 503 Ca -0.05 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.00 1xjj n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjj n LEU 504 N 0.00 2.98 -4.79 0.99 -0.00 -1.26 -3.30 117.00 111.62 1xjj n LEU 504 Ca 0.00 -1.16 -0.35 0.00 -0.00 0.00 0.00 56.01 54.51 1xjj n LEU 504 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 43.42 43.27 1xjj n LEU 504 CO 0.00 0.58 0.74 -1.61 -0.00 0.00 0.00 177.39 177.10 1xjj s GLU 505 N -1.75 3.69 0.94 1.47 0.41 -0.68 -4.74 118.70 118.04 1xjj s GLU 505 Ca 0.34 1.45 -0.12 0.00 -0.41 0.00 0.00 54.97 56.23 1xjj s GLU 505 Cb 0.21 -2.10 0.16 0.00 -1.78 0.00 0.00 34.13 30.62 1xjj s GLU 505 CO 0.31 -0.54 1.09 -1.25 -0.49 0.00 0.00 175.26 174.38 1xjj s PRO 506 N -3.19 0.86 0.33 0.39 0.04 -1.26 -4.27 135.00 127.90 1xjj s PRO 506 Ca 0.68 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1xjj s PRO 506 Cb -0.19 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 1xjj s PRO 506 CO 0.23 -2.48 1.42 -0.80 0.04 0.00 0.00 177.00 175.41 1xjj s ASN 507 N -3.40 6.55 0.03 6.66 0.01 -1.26 -4.67 114.94 118.85 1xjj s ASN 507 Ca 0.64 2.85 -0.18 0.00 -0.71 0.00 0.00 52.86 55.46 1xjj s ASN 507 Cb -0.18 -2.65 -0.20 0.00 0.41 0.00 0.00 41.25 38.62 1xjj s ASN 507 CO 0.57 -0.73 1.18 0.15 -1.51 0.00 0.00 177.10 176.76 1xjj h PHE 508 N 3.64 0.67 -3.86 2.20 3.04 -1.94 0.76 116.94 121.45 1xjj h PHE 508 Ca -0.49 -0.33 -0.14 0.00 3.98 0.00 0.00 57.97 60.99 1xjj h PHE 508 Cb 1.23 -0.09 -0.19 0.00 2.56 0.00 0.00 35.95 39.46 1xjj h PHE 508 CO 0.56 1.12 -0.60 -0.51 -2.02 0.00 0.00 178.31 176.86 1xjj s LEU 509 N -8.47 1.99 0.17 0.59 1.43 -1.26 -3.80 118.68 109.32 1xjj s LEU 509 Ca -0.13 -0.52 0.23 0.00 -1.03 0.00 0.00 54.13 52.68 1xjj s LEU 509 Cb 0.05 0.40 0.21 0.00 0.03 0.00 0.00 46.19 46.88 1xjj s LEU 509 CO 0.83 -0.43 1.23 -0.07 0.23 0.00 0.00 176.35 178.14 1xjj h LEU 510 N 4.04 0.00 -7.15 1.79 3.38 -1.90 -3.46 115.31 112.01 1xjj h LEU 510 Ca -0.32 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1xjj h LEU 510 Cb 1.19 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 1xjj h LEU 510 CO 0.47 0.06 -0.27 0.00 0.09 0.00 0.00 178.44 178.80 1xjj s ALA 511 N -3.24 -1.25 0.00 1.53 0.00 -1.26 0.09 121.76 117.63 1xjj s ALA 511 Ca 0.04 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1xjj s ALA 511 Cb 0.12 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1xjj s ALA 511 CO 0.74 -0.47 0.00 2.48 0.00 0.00 0.00 175.76 178.52 1xjj n TYR 512 N 4.68 0.00 -2.67 0.00 0.18 -1.26 -4.74 117.16 113.35 1xjj n TYR 512 Ca -0.18 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.57 1xjj n TYR 512 Cb 0.54 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.60 1xjj n TYR 512 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1xjj n THR 513 N 0.00 0.00 -1.45 -3.48 -2.24 -1.26 -4.28 114.28 101.57 1xjj n THR 513 Ca 0.00 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.65 1xjj n THR 513 Cb 0.00 1.07 0.03 0.00 -2.10 0.00 0.00 70.33 69.33 1xjj n THR 513 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1xjj n ARG 514 N 0.38 0.49 -2.48 -0.78 0.63 -1.26 -5.17 116.66 108.47 1xjj n ARG 514 Ca -0.07 0.19 -0.28 0.00 -0.92 0.00 0.00 57.85 56.77 1xjj n ARG 514 Cb 0.75 -1.61 -0.00 0.00 0.45 0.00 0.00 32.46 32.04 1xjj n ARG 514 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1xjj n PHE 515 N -1.53 3.44 0.00 -0.14 3.01 -1.26 -5.24 117.46 115.74 1xjj n PHE 515 Ca 0.11 -3.14 0.00 0.00 1.01 0.00 0.00 57.45 55.43 1xjj n PHE 515 Cb 0.46 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1xjj n PHE 515 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1xjj n TYR 528 N -0.46 0.00 -1.69 1.38 -0.00 -1.26 -5.17 117.16 109.97 1xjj n TYR 528 Ca 0.39 0.00 -0.50 0.00 -0.00 0.00 0.00 57.90 57.79 1xjj n TYR 528 Cb 0.60 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.89 1xjj n TYR 528 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1xjj n VAL 529 N 0.00 0.49 -1.44 2.97 0.31 -1.26 -4.38 118.33 115.02 1xjj n VAL 529 Ca 0.00 -0.09 -0.53 0.00 -0.01 0.00 0.00 64.34 63.71 1xjj n VAL 529 Cb 0.00 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.17 1xjj n VAL 529 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xjj n ASN 530 N 6.19 -0.72 0.07 4.52 2.85 0.11 -4.77 115.26 123.52 1xjj n ASN 530 Ca 0.23 1.14 -0.08 0.00 -0.11 0.00 0.00 54.58 55.76 1xjj n ASN 530 Cb 0.26 -0.94 0.04 0.00 1.24 0.00 0.00 39.78 40.38 1xjj n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjj h GLN 531 N 1.86 0.29 -0.32 1.20 4.15 -1.91 -1.48 115.11 118.89 1xjj h GLN 531 Ca -0.38 -0.25 -0.18 0.00 0.77 0.00 0.00 58.65 58.61 1xjj h GLN 531 Cb 1.44 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 29.18 1xjj h GLN 531 CO 0.60 0.91 -0.50 0.28 -1.93 0.00 0.00 178.83 178.20 1xjj h VAL 532 N 0.19 1.27 -0.73 2.39 2.07 -1.95 -2.67 116.25 116.82 1xjj h VAL 532 Ca -0.03 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.75 1xjj h VAL 532 Cb 1.33 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 1xjj h VAL 532 CO 0.12 0.55 0.20 0.25 0.02 0.00 0.00 177.57 178.72 1xjj h LEU 533 N 0.71 1.07 -1.89 2.57 5.85 -1.90 -1.65 115.31 120.07 1xjj h LEU 533 Ca 0.03 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 1xjj h LEU 533 Cb 1.10 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1xjj h LEU 533 CO 0.11 1.01 -0.12 -0.09 -0.34 0.00 0.00 178.44 179.02 1xjj h ARG 534 N 1.09 0.00 0.18 1.25 2.43 -1.17 -0.19 114.38 117.97 1xjj h ARG 534 Ca 0.23 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.10 1xjj h ARG 534 Cb 0.34 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1xjj h ARG 534 CO -0.00 0.12 -1.43 0.93 -1.51 0.00 0.00 179.97 178.08 1xjj h GLU 535 N 0.00 0.39 0.00 0.20 5.08 -1.14 -3.38 114.58 115.73 1xjj h GLU 535 Ca -0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 1xjj h GLU 535 Cb 0.25 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1xjj h GLU 535 CO 0.02 1.32 -0.18 0.87 -1.00 0.00 0.00 179.01 180.03 1xjj h LYS 536 N -0.06 0.00 -5.58 2.33 1.79 -1.04 -3.45 116.57 110.56 1xjj h LYS 536 Ca -0.27 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.60 1xjj h LYS 536 Cb 1.96 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.52 1xjj h LYS 536 CO 0.18 0.00 -0.31 -1.17 -1.08 0.00 0.00 179.45 177.07 1xjj s LEU 537 N -5.62 4.28 0.16 2.94 2.96 -0.11 -5.02 118.68 118.28 1xjj s LEU 537 Ca 0.07 0.58 -0.32 0.00 -0.22 0.00 0.00 54.13 54.23 1xjj s LEU 537 Cb 0.08 -2.40 -0.12 0.00 0.50 0.00 0.00 46.19 44.25 1xjj s LEU 537 CO 0.67 0.14 1.73 0.59 -1.32 0.00 0.00 176.35 178.17 1xjj n ASN 538 N 3.29 3.80 -4.59 3.68 3.02 -1.26 -4.81 115.26 118.38 1xjj n ASN 538 Ca -0.12 1.04 -0.30 0.00 -0.03 0.00 0.00 54.58 55.16 1xjj n ASN 538 Cb 0.52 -1.53 0.19 0.00 -0.61 0.00 0.00 39.78 38.36 1xjj n ASN 538 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1xjj n PRO 539 N 4.46 -1.02 0.00 3.52 -0.02 -1.26 -1.22 135.00 139.46 1xjj n PRO 539 Ca 0.17 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1xjj n PRO 539 Cb 0.34 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1xjj n PRO 539 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xjj n GLU 540 N -4.22 0.00 -0.13 -0.52 1.02 -1.26 -4.35 120.64 111.19 1xjj n GLU 540 Ca 0.09 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.16 1xjj n GLU 540 Cb 0.53 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.04 1xjj n GLU 540 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1xjj h ILE 541 N 0.00 1.26 0.57 -3.67 2.04 -1.87 -2.74 117.51 113.11 1xjj h ILE 541 Ca 0.00 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 1xjj h ILE 541 Cb 0.00 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xjj h ILE 541 CO 0.00 0.41 -0.27 0.25 0.00 0.00 0.00 178.15 178.54 1xjj h LEU 542 N 0.78 -0.65 -1.47 1.44 6.46 -1.36 -2.94 115.31 117.57 1xjj h LEU 542 Ca 0.13 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1xjj h LEU 542 Cb 0.61 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.69 1xjj h LEU 542 CO 0.04 -0.28 0.14 0.50 -0.62 0.00 0.00 178.44 178.21 1xjj h LYS 543 N -1.06 0.49 0.39 1.25 3.64 -1.83 -0.25 116.57 119.19 1xjj h LYS 543 Ca -0.08 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1xjj h LYS 543 Cb 0.65 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1xjj h LYS 543 CO 0.13 0.41 -0.26 -0.09 -2.27 0.00 0.00 179.45 177.37 1xjj h ARG 544 N 0.49 -0.60 0.00 1.90 2.43 -1.58 -3.36 114.38 113.67 1xjj h ARG 544 Ca 0.12 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1xjj h ARG 544 Cb 0.11 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xjj h ARG 544 CO -0.01 -0.40 -0.07 -0.84 -1.51 0.00 0.00 179.97 177.14 1xjj h ILE 545 N -0.62 0.14 0.00 1.20 3.07 -1.16 -3.29 117.51 116.85 1xjj h ILE 545 Ca -0.05 -1.04 0.00 0.00 1.55 0.00 0.00 64.86 65.31 1xjj h ILE 545 Cb 0.51 1.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 1xjj h ILE 545 CO 0.04 0.07 0.27 1.05 -1.05 0.00 0.00 178.15 178.53 1xjj h GLU 546 N 0.00 0.00 0.11 0.16 4.11 -1.22 0.17 114.58 117.91 1xjj h GLU 546 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1xjj h GLU 546 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xjj h GLU 546 CO 0.01 0.00 -0.05 0.87 0.07 0.00 0.00 179.01 179.91 1xjj h LYS 547 N 0.00 -0.14 0.00 1.06 1.57 -1.81 -3.24 116.57 114.01 1xjj h LYS 547 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xjj h LYS 547 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1xjj h LYS 547 CO 0.00 -0.09 0.00 -0.85 -0.57 0.00 0.00 179.45 177.94 1xjj n GLU 548 N -2.98 0.67 0.01 3.15 0.28 -0.54 -2.08 120.64 119.15 1xjj n GLU 548 Ca -0.02 0.02 -0.16 0.00 -0.16 0.00 0.00 57.16 56.83 1xjj n GLU 548 Cb 0.06 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.37 1xjj n GLU 548 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1xjj h LEU 549 N 0.00 0.84 -0.17 -1.84 6.46 -1.13 -3.35 115.31 116.11 1xjj h LEU 549 Ca 0.00 -0.58 -0.09 0.00 -0.12 0.00 0.00 57.88 57.09 1xjj h LEU 549 Cb 0.08 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1xjj h LEU 549 CO 0.00 1.37 -0.25 0.40 -0.62 0.00 0.00 178.44 179.34 1xjj h ILE 550 N 0.45 1.34 -3.66 4.05 2.04 -1.44 -1.84 117.51 118.45 1xjj h ILE 550 Ca -0.07 -1.46 -0.50 0.00 1.00 0.00 0.00 64.86 63.83 1xjj h ILE 550 Cb 1.46 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.40 1xjj h ILE 550 CO 0.16 0.44 0.21 -0.70 0.00 0.00 0.00 178.15 178.26 1xjj s GLU 551 N -4.17 4.44 0.00 2.37 2.12 -1.21 -3.83 118.70 118.44 1xjj s GLU 551 Ca -0.13 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.29 1xjj s GLU 551 Cb 0.06 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1xjj s GLU 551 CO 0.79 0.40 0.00 1.63 -0.54 0.00 0.00 175.26 177.54 1xjj n LYS 552 N 0.88 0.00 -1.44 4.30 5.02 -1.26 -4.64 118.16 121.02 1xjj n LYS 552 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1xjj n LYS 552 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.46 1xjj n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjj n GLY 553 N 0.00 1.32 3.37 0.72 0.00 -0.69 -4.97 105.19 104.93 1xjj n GLY 553 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1xjj n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjj s SER 554 N -2.83 -0.35 0.03 1.61 0.15 -1.25 -4.76 113.70 106.29 1xjj s SER 554 Ca 0.00 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.54 1xjj s SER 554 Cb 0.00 0.52 -0.21 0.00 -1.71 0.00 0.00 66.02 64.62 1xjj s SER 554 CO 0.00 -0.91 0.92 -0.07 1.20 0.00 0.00 173.24 174.38 1xjj h LEU 555 N 2.23 0.00 -0.23 3.45 3.38 -1.91 -3.41 115.31 118.81 1xjj h LEU 555 Ca -0.34 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1xjj h LEU 555 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 1xjj h LEU 555 CO 0.43 0.98 -0.09 1.17 0.09 0.00 0.00 178.44 181.02 1xjj n LYS 556 N -3.16 -0.06 -0.59 1.13 4.81 -1.26 -0.48 118.16 118.56 1xjj n LYS 556 Ca -0.10 0.35 0.06 0.00 -0.87 0.00 0.00 58.31 57.75 1xjj n LYS 556 Cb 1.00 -0.52 0.28 0.00 0.02 0.00 0.00 35.03 35.80 1xjj n LYS 556 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xjj n ASP 557 N -4.33 4.10 -4.45 3.14 10.43 -1.26 -4.82 116.55 119.35 1xjj n ASP 557 Ca 0.02 -3.09 -0.44 0.00 2.57 0.00 0.00 54.79 53.85 1xjj n ASP 557 Cb 0.09 -0.59 -0.07 0.00 1.84 0.00 0.00 41.12 42.39 1xjj n ASP 557 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1xjj s ILE 558 N -2.88 4.99 0.57 0.53 1.01 0.37 -5.07 121.20 120.72 1xjj s ILE 558 Ca 0.45 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 1xjj s ILE 558 Cb 0.37 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 1xjj s ILE 558 CO 0.09 -0.64 1.02 -2.16 0.00 0.00 0.00 174.94 173.25 1xjj s PRO 559 N 2.34 3.66 -0.91 2.79 0.04 -1.26 -3.64 135.00 138.02 1xjj s PRO 559 Ca 0.13 0.96 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 1xjj s PRO 559 Cb -0.19 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1xjj s PRO 559 CO 0.12 -0.51 0.37 -0.25 0.04 0.00 0.00 177.00 176.77 1xjj n ASP 560 N -2.05 -4.24 -4.23 6.66 8.00 -1.26 -5.05 116.55 114.38 1xjj n ASP 560 Ca 0.07 -0.17 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 1xjj n ASP 560 Cb 0.54 -3.11 -0.17 0.00 -0.02 0.00 0.00 41.12 38.36 1xjj n ASP 560 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xjj s VAL 561 N -2.92 1.97 0.40 2.53 0.11 -1.24 -5.05 120.40 116.20 1xjj s VAL 561 Ca 0.19 -1.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.97 1xjj s VAL 561 Cb -0.08 -1.68 -0.11 0.00 -1.53 0.00 0.00 36.38 32.98 1xjj s VAL 561 CO 0.23 0.55 1.26 -2.65 -3.33 0.00 0.00 175.10 171.16 1xjj n PRO 562 N 3.19 1.96 -0.21 1.54 -0.02 -1.26 -4.79 135.00 135.41 1xjj n PRO 562 Ca -0.18 0.69 0.29 0.00 -2.02 0.00 0.00 63.50 62.28 1xjj n PRO 562 Cb 0.52 -2.35 0.71 0.00 -0.02 0.00 0.00 33.50 32.37 1xjj n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xjj h GLU 563 N 2.20 0.03 -0.09 -0.52 4.22 -1.99 -2.03 114.58 116.40 1xjj h GLU 563 Ca -0.47 -0.00 -0.14 0.00 0.08 0.00 0.00 59.36 58.82 1xjj h GLU 563 Cb 1.29 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1xjj h GLU 563 CO 0.61 0.02 -0.51 -0.22 -2.18 0.00 0.00 179.01 176.73 1xjj h LYS 564 N 0.03 0.51 -0.44 1.92 1.63 -2.00 -1.67 116.57 116.55 1xjj h LYS 564 Ca 0.46 -0.42 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1xjj h LYS 564 Cb 1.78 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 33.48 1xjj h LYS 564 CO -0.02 1.05 0.24 0.82 -3.45 0.00 0.00 179.45 178.09 1xjj h ILE 565 N 0.09 1.16 -0.23 2.00 1.08 -1.81 -2.75 117.51 117.04 1xjj h ILE 565 Ca -0.04 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 1xjj h ILE 565 Cb 1.16 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 1xjj h ILE 565 CO 0.10 0.16 -0.04 0.11 -0.69 0.00 0.00 178.15 177.80 1xjj h LYS 566 N 0.57 0.02 -0.01 2.37 1.57 -1.32 0.70 116.57 120.48 1xjj h LYS 566 Ca 0.15 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1xjj h LYS 566 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1xjj h LYS 566 CO -0.03 0.02 -0.58 0.87 -0.57 0.00 0.00 179.45 179.16 1xjj h LYS 567 N 0.02 0.02 0.18 3.15 1.57 -1.30 -3.25 116.57 116.96 1xjj h LYS 567 Ca 0.11 -0.01 -0.31 0.00 -1.87 0.00 0.00 60.65 58.57 1xjj h LYS 567 Cb 0.16 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.49 1xjj h LYS 567 CO -0.22 0.59 -1.48 0.28 -0.57 0.00 0.00 179.45 178.05 1xjj h VAL 568 N 0.01 1.12 -0.82 0.50 2.07 -1.33 -3.39 116.25 114.42 1xjj h VAL 568 Ca -0.01 -2.54 -0.43 0.00 0.82 0.00 0.00 66.70 64.55 1xjj h VAL 568 Cb 1.03 2.88 -0.16 0.00 -1.52 0.00 0.00 31.29 33.53 1xjj h VAL 568 CO 0.08 0.79 0.32 0.49 0.02 0.00 0.00 177.57 179.27 1xjj n PHE 569 N -3.77 1.42 -2.32 1.57 3.01 0.22 -4.58 117.46 113.01 1xjj n PHE 569 Ca -0.21 -1.90 -0.37 0.00 1.01 0.00 0.00 57.45 55.98 1xjj n PHE 569 Cb 1.01 -1.30 -0.02 0.00 -0.01 0.00 0.00 39.48 39.17 1xjj n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjj s VAL 570 N -1.94 3.24 0.47 -4.37 -7.23 -1.25 -4.74 120.40 104.58 1xjj s VAL 570 Ca 0.53 0.95 0.06 0.00 -1.81 0.00 0.00 61.98 61.71 1xjj s VAL 570 Cb 0.34 -3.49 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 1xjj s VAL 570 CO -0.15 0.01 0.25 0.68 -0.31 0.00 0.00 175.10 175.58 1xjj s VAL 571 N -1.54 1.94 0.27 1.32 -7.23 -1.26 -4.53 120.40 109.37 1xjj s VAL 571 Ca 0.61 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 1xjj s VAL 571 Cb -0.28 -2.59 0.26 0.00 0.56 0.00 0.00 36.38 34.34 1xjj s VAL 571 CO 0.34 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 176.93 1xjj h ALA 572 N 1.15 1.40 -0.01 1.32 0.00 -0.94 -1.42 119.26 120.77 1xjj h ALA 572 Ca -0.41 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xjj h ALA 572 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xjj h ALA 572 CO 0.65 0.08 -0.13 1.28 0.00 0.00 0.00 179.25 181.13 1xjj n LEU 573 N -4.73 0.96 0.22 0.00 4.77 -1.26 -2.37 117.00 114.58 1xjj n LEU 573 Ca 0.18 -0.25 0.15 0.00 -0.03 0.00 0.00 56.01 56.06 1xjj n LEU 573 Cb 0.39 -0.10 0.50 0.00 -2.33 0.00 0.00 43.42 41.88 1xjj n LEU 573 CO 0.25 0.17 0.92 0.44 -1.33 0.00 0.00 177.39 177.83 1xjj h ASP 574 N 1.30 0.00 -3.58 -1.43 3.32 -1.65 -3.45 116.42 110.93 1xjj h ASP 574 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1xjj h ASP 574 Cb 0.44 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.80 1xjj h ASP 574 CO 0.00 0.00 -0.58 -0.63 -1.72 0.00 0.00 179.24 176.31 1xjj s ILE 575 N -3.44 4.70 0.66 0.35 1.01 -1.00 -4.96 121.20 118.51 1xjj s ILE 575 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 1xjj s ILE 575 Cb 0.08 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1xjj s ILE 575 CO 0.55 0.36 1.07 1.51 0.00 0.00 0.00 174.94 178.43 1xjj s ASP 576 N 1.22 5.37 0.34 3.58 1.47 -1.26 -4.80 116.67 122.58 1xjj s ASP 576 Ca 0.05 1.81 0.10 0.00 1.18 0.00 0.00 52.55 55.70 1xjj s ASP 576 Cb -0.14 -2.53 0.88 0.00 -0.34 0.00 0.00 42.92 40.79 1xjj s ASP 576 CO 0.04 -1.45 1.79 -0.65 0.68 0.00 0.00 175.17 175.58 1xjj h PRO 577 N -0.13 0.61 -0.48 2.11 0.11 -1.96 -1.19 132.00 131.07 1xjj h PRO 577 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1xjj h PRO 577 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1xjj h PRO 577 CO 0.56 0.40 0.03 0.52 -0.21 0.00 0.00 178.00 179.30 1xjj h MET 578 N 0.62 0.78 0.00 1.05 2.86 -1.93 -2.02 114.93 116.29 1xjj h MET 578 Ca 0.56 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.89 1xjj h MET 578 Cb 1.07 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 1xjj h MET 578 CO -0.33 0.77 -0.57 -0.44 1.06 0.00 0.00 176.91 177.39 1xjj h ASP 579 N 0.73 0.00 -0.11 1.22 3.32 -1.58 0.93 116.42 120.93 1xjj h ASP 579 Ca 0.15 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1xjj h ASP 579 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1xjj h ASP 579 CO 0.01 0.57 0.04 0.45 -1.72 0.00 0.00 179.24 178.60 1xjj h HIS 580 N 0.00 0.16 -0.31 4.55 3.86 -1.28 -1.67 115.15 120.46 1xjj h HIS 580 Ca -0.01 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.03 1xjj h HIS 580 Cb 1.07 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.48 1xjj h HIS 580 CO 0.00 0.27 -0.46 1.25 0.86 0.00 0.00 177.93 179.85 1xjj h LEU 581 N 0.01 0.90 -0.98 2.43 5.85 -0.87 -2.13 115.31 120.52 1xjj h LEU 581 Ca 0.04 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1xjj h LEU 581 Cb 0.18 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1xjj h LEU 581 CO -0.00 1.21 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.74 1xjj h LEU 582 N 0.66 0.00 -0.29 2.25 3.38 -0.85 -1.11 115.31 119.34 1xjj h LEU 582 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1xjj h LEU 582 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1xjj h LEU 582 CO 0.10 0.50 0.11 -0.03 0.09 0.00 0.00 178.44 179.21 1xjj h MET 583 N 0.00 0.45 -0.88 1.13 4.05 -0.95 -2.30 114.93 116.42 1xjj h MET 583 Ca -0.00 -0.09 0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1xjj h MET 583 Cb 0.90 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.57 1xjj h MET 583 CO 0.06 0.48 0.54 0.37 0.23 0.00 0.00 176.91 178.59 1xjj h GLN 584 N 0.32 0.93 -0.84 0.39 4.15 -1.16 -2.10 115.11 116.81 1xjj h GLN 584 Ca 0.10 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 1xjj h GLN 584 Cb 0.20 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1xjj h GLN 584 CO -0.01 0.61 0.46 0.22 -1.93 0.00 0.00 178.83 178.19 1xjj h ASP 585 N 0.96 1.05 -0.30 -0.69 1.82 -1.07 0.86 116.42 119.04 1xjj h ASP 585 Ca 0.40 -0.10 -0.13 0.00 -0.39 0.00 0.00 57.03 56.81 1xjj h ASP 585 Cb 0.24 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1xjj h ASP 585 CO -0.20 0.85 -0.29 0.00 -1.61 0.00 0.00 179.24 177.99 1xjj h ALA 586 N 1.24 0.77 -0.01 -0.78 0.00 -0.90 -1.96 119.26 117.63 1xjj h ALA 586 Ca 0.29 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.54 1xjj h ALA 586 Cb 0.03 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xjj h ALA 586 CO -0.05 0.65 -1.01 0.74 0.00 0.00 0.00 179.25 179.58 1xjj h PHE 587 N 0.69 0.99 0.00 0.00 0.04 -1.29 -3.24 116.94 114.14 1xjj h PHE 587 Ca 0.08 -0.53 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 1xjj h PHE 587 Cb 0.83 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 1xjj h PHE 587 CO 0.05 1.37 -0.06 0.37 -0.60 0.00 0.00 178.31 179.44 1xjj h GLN 588 N 0.39 0.00 -0.01 1.51 5.75 -0.43 -2.65 115.11 119.66 1xjj h GLN 588 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1xjj h GLN 588 Cb 1.66 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.21 1xjj h GLN 588 CO 0.20 0.06 0.02 0.00 -2.65 0.00 0.00 178.83 176.45 1xjj h ARG 589 N 0.00 0.00 -0.13 1.69 3.08 -1.39 -2.92 114.38 114.71 1xjj h ARG 589 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1xjj h ARG 589 Cb 0.29 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.16 1xjj h ARG 589 CO 0.01 0.00 -0.72 0.66 -1.07 0.00 0.00 179.97 178.85 1xjj n TYR 590 N -3.65 0.44 -4.27 3.04 4.01 -1.00 -0.05 117.16 115.69 1xjj n TYR 590 Ca -0.03 -1.38 -0.23 0.00 -0.16 0.00 0.00 57.90 56.11 1xjj n TYR 590 Cb 0.10 -0.23 -0.17 0.00 -0.31 0.00 0.00 39.34 38.73 1xjj n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjj s VAL 591 N -2.62 0.85 -0.29 -0.72 1.01 -1.10 -4.66 120.40 112.87 1xjj s VAL 591 Ca 0.38 -0.28 0.20 0.00 0.00 0.00 0.00 61.98 62.29 1xjj s VAL 591 Cb 0.38 -0.83 0.14 0.00 0.00 0.00 0.00 36.38 36.07 1xjj s VAL 591 CO -0.08 0.30 1.34 -2.24 0.00 0.00 0.00 175.10 174.43 1xjj h ASP 592 N 7.33 0.00 0.00 3.32 -0.00 -1.76 -3.44 116.42 121.87 1xjj h ASP 592 Ca -0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.70 1xjj h ASP 592 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1xjj h ASP 592 CO 0.45 0.18 0.00 0.59 -0.00 0.00 0.00 179.24 180.46 1xjj n ASN 593 N -3.00 0.00 -1.24 4.15 3.02 -1.07 -4.92 115.26 112.19 1xjj n ASN 593 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1xjj n ASN 593 Cb 0.62 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 1xjj n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjj n ASN 594 N 0.00 1.75 -3.92 6.41 3.02 0.63 -4.96 115.26 118.20 1xjj n ASN 594 Ca 0.00 -0.66 -0.17 0.00 -0.03 0.00 0.00 54.58 53.72 1xjj n ASN 594 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1xjj n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjj s ILE 595 N -0.49 0.38 -0.33 2.41 1.01 -1.26 -2.73 121.20 120.19 1xjj s ILE 595 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 60.65 60.32 1xjj s ILE 595 Cb 0.00 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1xjj s ILE 595 CO 0.00 0.14 0.58 -0.55 0.00 0.00 0.00 174.94 175.11 1xjj s SER 596 N 0.31 6.41 -0.10 3.58 0.15 0.28 -4.62 113.70 119.70 1xjj s SER 596 Ca -0.03 0.21 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 1xjj s SER 596 Cb -0.07 -2.30 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 1xjj s SER 596 CO -0.00 -0.49 0.22 -0.75 1.20 0.00 0.00 173.24 173.42 1xjj s LYS 597 N 2.53 0.15 -0.10 5.44 2.47 -1.26 -4.71 119.74 124.26 1xjj s LYS 597 Ca 0.22 0.54 -0.17 0.00 -1.56 0.00 0.00 55.97 55.00 1xjj s LYS 597 Cb -0.15 -0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.04 1xjj s LYS 597 CO 0.13 -0.20 0.44 0.99 0.16 0.00 0.00 175.35 176.87 1xjj s THR 598 N 1.57 5.17 -0.79 3.43 2.01 -1.26 -4.15 115.64 121.62 1xjj s THR 598 Ca -0.06 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.63 1xjj s THR 598 Cb -0.11 -3.78 0.13 0.00 0.01 0.00 0.00 72.50 68.75 1xjj s THR 598 CO -0.08 0.38 0.94 -0.63 -0.69 0.00 0.00 174.62 174.54 1xjj s ILE 599 N 0.32 4.81 0.25 1.82 -1.09 0.81 -4.94 121.20 123.17 1xjj s ILE 599 Ca 0.24 -1.35 -0.30 0.00 -2.23 0.00 0.00 60.65 57.01 1xjj s ILE 599 Cb -0.15 -4.65 -0.10 0.00 -1.58 0.00 0.00 42.46 35.98 1xjj s ILE 599 CO 0.10 -1.34 1.48 0.20 -1.23 0.00 0.00 174.94 174.15 1xjj s ASN 600 N 3.44 6.60 0.06 3.58 -0.87 -1.26 -1.36 114.94 125.13 1xjj s ASN 600 Ca 0.23 2.71 0.08 0.00 -1.57 0.00 0.00 52.86 54.32 1xjj s ASN 600 Cb -0.12 -2.62 -0.03 0.00 -0.02 0.00 0.00 41.25 38.45 1xjj s ASN 600 CO -0.02 -0.75 -0.22 -0.04 -2.57 0.00 0.00 177.10 173.50 1xjj s MET 601 N -0.26 1.35 0.74 -0.60 -1.94 0.11 -4.12 119.30 114.58 1xjj s MET 601 Ca 0.61 -1.04 -0.13 0.00 -1.71 0.00 0.00 55.69 53.42 1xjj s MET 601 Cb -0.43 -1.54 0.04 0.00 2.01 0.00 0.00 34.83 34.92 1xjj s MET 601 CO 0.43 0.38 1.12 -1.25 -0.01 0.00 0.00 175.02 175.69 1xjj s PRO 602 N -1.44 2.28 0.53 2.03 0.04 -1.26 -0.71 135.00 136.47 1xjj s PRO 602 Ca 0.08 1.38 0.19 0.00 0.04 0.00 0.00 61.00 62.70 1xjj s PRO 602 Cb -0.09 -1.89 1.34 0.00 0.04 0.00 0.00 34.50 33.90 1xjj s PRO 602 CO 0.03 -1.65 2.12 0.37 0.04 0.00 0.00 177.00 177.90 1xjj h GLN 603 N -0.68 0.00 0.00 4.56 4.15 -1.92 -1.34 115.11 119.88 1xjj h GLN 603 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1xjj h GLN 603 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1xjj h GLN 603 CO 0.51 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.28 1xjj n SER 604 N -4.45 0.00 -4.75 -0.69 3.41 -1.26 -4.88 113.62 101.00 1xjj n SER 604 Ca 0.00 -0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 57.82 1xjj n SER 604 Cb 0.22 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 63.99 1xjj n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjj n ALA 605 N -1.20 1.91 -2.21 7.33 0.00 -0.51 -5.03 120.51 120.81 1xjj n ALA 605 Ca 0.17 0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1xjj n ALA 605 Cb 0.20 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.27 1xjj n ALA 605 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xjj s THR 606 N -1.20 2.40 0.36 0.00 -4.23 -1.26 -4.99 115.64 106.72 1xjj s THR 606 Ca 0.62 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.91 1xjj s THR 606 Cb -0.46 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 70.85 1xjj s THR 606 CO 0.57 0.00 1.88 0.58 -0.54 0.00 0.00 174.62 177.12 1xjj h VAL 607 N 0.80 1.19 -0.82 2.29 2.07 -1.96 -2.21 116.25 117.61 1xjj h VAL 607 Ca -0.39 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 1xjj h VAL 607 Cb 1.28 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1xjj h VAL 607 CO 0.54 0.27 0.37 0.44 0.02 0.00 0.00 177.57 179.20 1xjj h ASP 608 N 0.34 1.10 -0.58 0.57 3.32 -1.96 -1.12 116.42 118.10 1xjj h ASP 608 Ca 0.07 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.05 1xjj h ASP 608 Cb 0.38 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 1xjj h ASP 608 CO 0.02 0.95 0.23 0.44 -1.72 0.00 0.00 179.24 179.16 1xjj h ASP 609 N 1.18 0.25 0.07 6.45 3.32 -1.79 -1.12 116.42 124.79 1xjj h ASP 609 Ca 0.28 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1xjj h ASP 609 Cb 0.16 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xjj h ASP 609 CO -0.03 0.16 -0.05 0.58 -1.72 0.00 0.00 179.24 178.19 1xjj h VAL 610 N 0.43 0.90 -0.91 -1.35 2.07 -1.24 -1.70 116.25 114.44 1xjj h VAL 610 Ca 0.28 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.92 1xjj h VAL 610 Cb 0.31 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1xjj h VAL 610 CO -0.27 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 177.79 1xjj h LEU 611 N -0.12 0.76 -1.27 2.57 3.38 -0.97 -1.79 115.31 117.87 1xjj h LEU 611 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1xjj h LEU 611 Cb 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1xjj h LEU 611 CO 0.00 0.39 0.34 0.78 0.09 0.00 0.00 178.44 180.05 1xjj h ASN 612 N 0.84 0.75 -0.65 -0.43 2.35 -0.82 -0.23 115.58 117.39 1xjj h ASN 612 Ca 0.46 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.17 1xjj h ASN 612 Cb 0.50 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1xjj h ASN 612 CO -0.28 0.60 0.43 0.58 -1.65 0.00 0.00 177.43 177.10 1xjj h VAL 613 N 0.85 1.15 -0.52 2.81 2.07 -0.52 -0.32 116.25 121.77 1xjj h VAL 613 Ca 0.22 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1xjj h VAL 613 Cb 0.01 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1xjj h VAL 613 CO -0.04 0.16 0.13 1.88 0.02 0.00 0.00 177.57 179.72 1xjj h TYR 614 N 0.86 0.87 -0.20 1.57 0.05 -0.43 0.13 116.97 119.82 1xjj h TYR 614 Ca 0.24 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1xjj h TYR 614 Cb -0.07 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 1xjj h TYR 614 CO -0.03 0.76 0.01 -0.07 -1.05 0.00 0.00 178.16 177.78 1xjj h LEU 615 N 0.72 0.34 -1.55 3.88 3.38 -1.02 -1.29 115.31 119.78 1xjj h LEU 615 Ca 0.16 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xjj h LEU 615 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xjj h LEU 615 CO 0.00 0.55 0.32 -0.08 0.09 0.00 0.00 178.44 179.32 1xjj h GLU 616 N 0.12 0.59 -0.40 1.13 4.57 -0.92 -2.11 114.58 117.56 1xjj h GLU 616 Ca 0.06 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1xjj h GLU 616 Cb 0.37 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1xjj h GLU 616 CO 0.01 0.39 -0.08 0.00 -1.18 0.00 0.00 179.01 178.15 1xjj h ALA 617 N 1.71 1.10 0.00 2.92 0.00 -0.44 -2.53 119.26 122.03 1xjj h ALA 617 Ca 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xjj h ALA 617 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xjj h ALA 617 CO -0.04 0.56 -0.29 -0.07 0.00 0.00 0.00 179.25 179.41 1xjj h LEU 618 N 0.64 0.00 0.00 0.00 3.38 -0.54 -2.71 115.31 116.08 1xjj h LEU 618 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xjj h LEU 618 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1xjj h LEU 618 CO 0.03 0.29 -0.59 0.03 0.09 0.00 0.00 178.44 178.29 1xjj h ARG 619 N 0.00 0.00 0.00 1.13 3.08 -1.33 -3.43 114.38 113.83 1xjj h ARG 619 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1xjj h ARG 619 Cb 0.54 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.62 1xjj h ARG 619 CO 0.04 0.02 0.05 0.25 -1.07 0.00 0.00 179.97 179.26 1xjj n THR 620 N -2.87 0.00 0.12 2.04 -2.24 -0.98 -5.00 114.28 105.35 1xjj n THR 620 Ca 0.01 -0.41 0.10 0.00 -2.27 0.00 0.00 64.05 61.49 1xjj n THR 620 Cb 0.55 -1.38 0.27 0.00 -2.10 0.00 0.00 70.33 67.68 1xjj n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjj n ASN 621 N -3.03 3.27 -4.75 3.42 3.02 -1.26 -4.98 115.26 110.94 1xjj n ASN 621 Ca 0.05 -1.98 -0.37 0.00 -0.03 0.00 0.00 54.58 52.24 1xjj n ASN 621 Cb 0.17 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1xjj n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjj s VAL 622 N -1.25 2.41 -1.70 2.41 -7.23 -1.26 -4.85 120.40 108.93 1xjj s VAL 622 Ca 0.41 0.29 0.17 0.00 -1.81 0.00 0.00 61.98 61.04 1xjj s VAL 622 Cb 0.22 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 34.04 1xjj s VAL 622 CO 0.29 -0.02 0.93 0.54 -0.31 0.00 0.00 175.10 176.52 1xjj n ARG 623 N -1.12 1.59 -3.77 4.82 1.74 -1.26 -4.94 116.66 113.72 1xjj n ARG 623 Ca 0.11 -0.98 -0.00 0.00 -0.77 0.00 0.00 57.85 56.21 1xjj n ARG 623 Cb 0.47 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1xjj n ARG 623 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xjj s GLY 624 N -1.90 -0.22 -0.02 -0.13 0.00 -1.26 -1.21 107.32 102.58 1xjj s GLY 624 Ca 0.15 0.25 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 1xjj s GLY 624 CO 0.39 1.53 0.04 -0.42 0.00 0.00 0.00 173.10 174.64 1xjj s ILE 625 N -2.49 -0.02 -0.08 0.90 -1.09 -0.65 -4.97 121.20 112.79 1xjj s ILE 625 Ca 0.18 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 1xjj s ILE 625 Cb 0.01 -0.07 0.02 0.00 -1.58 0.00 0.00 42.46 40.84 1xjj s ILE 625 CO -0.00 0.03 -0.11 -0.89 -1.23 0.00 0.00 174.94 172.74 1xjj s THR 626 N 0.38 1.13 0.03 2.92 2.01 -1.26 -1.76 115.64 119.10 1xjj s THR 626 Ca -0.03 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 61.58 1xjj s THR 626 Cb -0.04 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1xjj s THR 626 CO -0.01 0.37 -0.10 0.68 -0.69 0.00 0.00 174.62 174.86 1xjj s VAL 627 N 1.01 3.39 -0.09 3.82 -7.23 -1.26 -0.13 120.40 119.91 1xjj s VAL 627 Ca -0.08 -0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 1xjj s VAL 627 Cb -0.15 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.35 1xjj s VAL 627 CO -0.01 0.33 0.04 -0.47 -0.31 0.00 0.00 175.10 174.69 1xjj s TYR 628 N -1.01 0.39 -0.18 2.82 5.04 -0.46 -4.54 117.35 119.40 1xjj s TYR 628 Ca 0.17 -0.12 -0.23 0.00 -2.44 0.00 0.00 57.07 54.45 1xjj s TYR 628 Cb -0.11 -0.69 -0.02 0.00 0.35 0.00 0.00 41.96 41.49 1xjj s TYR 628 CO 0.08 -0.35 0.73 0.50 -1.34 0.00 0.00 175.55 175.18 1xjj s ARG 629 N 2.07 4.26 0.29 4.97 3.52 -1.26 -0.71 118.95 132.08 1xjj s ARG 629 Ca 0.04 0.82 -0.29 0.00 -0.13 0.00 0.00 55.73 56.17 1xjj s ARG 629 Cb -0.13 -3.58 -0.13 0.00 -1.56 0.00 0.00 34.95 29.55 1xjj s ARG 629 CO -0.05 -0.29 1.25 -3.47 -0.81 0.00 0.00 175.30 171.93 1xjj n ASP 630 N 5.15 2.33 0.00 -2.12 4.64 0.11 -1.58 116.55 125.08 1xjj n ASP 630 Ca 0.02 1.18 0.00 0.00 -1.38 0.00 0.00 54.79 54.61 1xjj n ASP 630 Cb 0.49 -1.41 0.00 0.00 -1.04 0.00 0.00 41.12 39.16 1xjj n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjj n GLY 631 N 1.32 1.03 0.28 0.27 0.00 -1.26 -3.90 105.19 102.93 1xjj n GLY 631 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1xjj n GLY 631 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xjj h SER 632 N 0.00 0.98 -0.03 1.61 4.64 -1.59 -3.52 113.55 115.64 1xjj h SER 632 Ca 0.00 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1xjj h SER 632 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1xjj h SER 632 CO 0.00 1.12 0.00 0.18 -0.87 0.00 0.00 176.83 177.26