#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xu9 s GLN 21 N 0.00 3.96 0.37 2.61 -1.52 -1.26 -4.84 119.66 118.98 1xu9 s GLN 21 Ca 0.00 0.27 -0.25 0.00 -1.95 0.00 0.00 55.36 53.42 1xu9 s GLN 21 Cb 0.00 -3.70 -0.09 0.00 -0.22 0.00 0.00 33.01 29.00 1xu9 s GLN 21 CO 0.00 -0.46 1.08 -1.25 -0.25 0.00 0.00 175.29 174.41 1xu9 s PRO 22 N 2.43 4.26 0.16 2.91 0.04 -1.25 -4.89 135.00 138.65 1xu9 s PRO 22 Ca 0.22 1.63 -0.32 0.00 0.04 0.00 0.00 61.00 62.57 1xu9 s PRO 22 Cb -0.15 -2.71 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 1xu9 s PRO 22 CO 0.10 -0.09 1.77 1.28 0.04 0.00 0.00 177.00 180.11 1xu9 n LEU 23 N 0.25 3.95 -3.87 -3.56 4.77 -0.06 -4.89 117.00 113.57 1xu9 n LEU 23 Ca 0.03 1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 56.62 1xu9 n LEU 23 Cb 0.48 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.03 1xu9 n LEU 23 CO 0.48 0.14 2.19 -3.20 -1.33 0.00 0.00 177.39 175.67 1xu9 n ASN 24 N 4.74 4.66 -3.50 -1.43 5.15 -1.26 -4.87 115.26 118.75 1xu9 n ASN 24 Ca 0.17 -3.00 -0.10 0.00 -0.60 0.00 0.00 54.58 51.05 1xu9 n ASN 24 Cb 0.35 -1.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.02 1xu9 n ASN 24 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1xu9 s GLU 25 N 1.58 0.87 0.47 1.20 -1.05 -1.26 -5.16 118.70 115.36 1xu9 s GLU 25 Ca 0.43 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.80 1xu9 s GLU 25 Cb 0.10 0.40 -0.08 0.00 -0.44 0.00 0.00 34.13 34.12 1xu9 s GLU 25 CO -0.03 -0.36 1.08 -1.21 0.95 0.00 0.00 175.26 175.69 1xu9 s GLU 26 N -2.83 3.80 0.33 -4.83 0.41 -1.26 -4.99 118.70 109.33 1xu9 s GLU 26 Ca 0.03 1.51 -0.29 0.00 -0.41 0.00 0.00 54.97 55.81 1xu9 s GLU 26 Cb -0.01 -2.23 -0.10 0.00 -1.78 0.00 0.00 34.13 30.01 1xu9 s GLU 26 CO -0.07 -0.46 1.35 0.12 -0.49 0.00 0.00 175.26 175.71 1xu9 s PHE 27 N -1.80 2.98 -0.02 1.61 5.36 -1.26 -5.04 117.98 119.81 1xu9 s PHE 27 Ca 0.65 1.33 0.04 0.00 -0.96 0.00 0.00 56.93 57.99 1xu9 s PHE 27 Cb -0.21 -3.75 -0.00 0.00 -0.34 0.00 0.00 43.02 38.72 1xu9 s PHE 27 CO 0.25 -2.12 -0.12 1.03 -1.46 0.00 0.00 175.22 172.79 1xu9 s ARG 28 N -1.66 1.18 0.61 10.12 0.52 -1.26 -5.04 118.95 123.42 1xu9 s ARG 28 Ca 0.51 -0.44 0.32 0.00 -0.52 0.00 0.00 55.73 55.59 1xu9 s ARG 28 Cb -0.41 -1.09 1.79 0.00 0.52 0.00 0.00 34.95 35.76 1xu9 s ARG 28 CO 0.53 0.21 2.13 -1.00 0.02 0.00 0.00 175.30 177.19 1xu9 h PRO 29 N 6.12 0.00 0.00 3.54 0.13 -1.98 -1.38 132.00 138.43 1xu9 h PRO 29 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1xu9 h PRO 29 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xu9 h PRO 29 CO 0.49 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.17 1xu9 h GLU 30 N 0.00 0.00 -0.02 0.86 3.07 -1.96 -2.48 114.58 114.05 1xu9 h GLU 30 Ca 0.06 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1xu9 h GLU 30 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1xu9 h GLU 30 CO -0.00 0.02 0.03 0.52 -1.40 0.00 0.00 179.01 178.18 1xu9 h MET 31 N 0.00 0.00 -0.01 2.33 2.86 -1.63 -1.97 114.93 116.51 1xu9 h MET 31 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xu9 h MET 31 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xu9 h MET 31 CO 0.00 0.00 -0.53 1.28 1.06 0.00 0.00 176.91 178.73 1xu9 n LEU 32 N -3.60 1.83 -4.68 1.22 7.99 -0.93 -4.85 117.00 113.98 1xu9 n LEU 32 Ca -0.02 -0.72 -0.42 0.00 -0.01 0.00 0.00 56.01 54.83 1xu9 n LEU 32 Cb 0.11 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.39 1xu9 n LEU 32 CO 0.25 0.35 1.46 -1.58 -1.51 0.00 0.00 177.39 176.36 1xu9 s GLN 33 N -2.46 4.16 0.00 3.23 0.74 -0.74 -1.76 119.66 122.83 1xu9 s GLN 33 Ca 0.16 2.47 0.00 0.00 0.05 0.00 0.00 55.36 58.04 1xu9 s GLN 33 Cb 0.17 -3.85 0.00 0.00 1.10 0.00 0.00 33.01 30.43 1xu9 s GLN 33 CO 0.59 -0.86 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 1xu9 n GLY 34 N 4.26 0.69 3.81 2.59 0.00 -0.34 -4.93 105.19 111.27 1xu9 n GLY 34 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1xu9 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xu9 s LYS 35 N -0.26 3.99 -0.34 1.61 -0.14 -0.72 -4.67 119.74 119.20 1xu9 s LYS 35 Ca 0.00 1.24 -0.10 0.00 -1.36 0.00 0.00 55.97 55.75 1xu9 s LYS 35 Cb 0.00 -2.13 0.01 0.00 -1.68 0.00 0.00 37.83 34.03 1xu9 s LYS 35 CO 0.00 -0.25 0.17 0.15 -0.76 0.00 0.00 175.35 174.66 1xu9 s LYS 36 N -3.23 3.04 -0.05 1.68 1.02 -1.26 -0.54 119.74 120.39 1xu9 s LYS 36 Ca 0.65 -0.93 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1xu9 s LYS 36 Cb -0.13 -3.63 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1xu9 s LYS 36 CO 0.17 -0.57 -0.11 0.08 -0.92 0.00 0.00 175.35 174.00 1xu9 s VAL 37 N 1.57 1.04 -0.12 3.17 1.01 -0.00 -0.36 120.40 126.70 1xu9 s VAL 37 Ca 0.03 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 1xu9 s VAL 37 Cb -0.18 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 1xu9 s VAL 37 CO 0.06 0.32 0.29 -0.63 0.00 0.00 0.00 175.10 175.14 1xu9 s ILE 38 N 0.48 5.28 -0.15 2.22 1.01 -0.69 -1.48 121.20 127.88 1xu9 s ILE 38 Ca -0.10 0.54 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1xu9 s ILE 38 Cb -0.13 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1xu9 s ILE 38 CO 0.02 0.48 -0.15 -0.69 0.00 0.00 0.00 174.94 174.60 1xu9 s VAL 39 N -0.16 1.62 0.43 2.92 1.01 -0.62 -0.70 120.40 124.90 1xu9 s VAL 39 Ca 0.18 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1xu9 s VAL 39 Cb -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1xu9 s VAL 39 CO 0.06 0.47 0.62 0.42 0.00 0.00 0.00 175.10 176.66 1xu9 s THR 40 N 1.41 3.68 -1.44 3.92 -4.23 -0.66 -2.14 115.64 116.18 1xu9 s THR 40 Ca 0.04 -0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 59.79 1xu9 s THR 40 Cb -0.13 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1xu9 s THR 40 CO -0.10 -0.19 0.51 0.61 -0.54 0.00 0.00 174.62 174.91 1xu9 n GLY 41 N -1.97 -0.26 0.93 3.99 0.00 -0.87 -3.93 105.19 103.09 1xu9 n GLY 41 Ca 0.03 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1xu9 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xu9 n ALA 42 N -4.40 2.32 0.19 4.61 0.00 -0.62 -3.86 120.51 118.74 1xu9 n ALA 42 Ca -0.25 -1.27 0.08 0.00 0.00 0.00 0.00 53.44 52.00 1xu9 n ALA 42 Cb 0.66 -0.63 0.13 0.00 0.00 0.00 0.00 19.45 19.61 1xu9 n ALA 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xu9 h SER 43 N 2.85 0.00 -3.12 0.00 4.64 -1.90 -3.22 113.55 112.81 1xu9 h SER 43 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1xu9 h SER 43 Cb 0.88 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 1xu9 h SER 43 CO 0.02 0.24 0.13 2.29 -0.87 0.00 0.00 176.83 178.64 1xu9 n LYS 44 N -3.17 0.92 0.00 4.77 2.85 -1.26 -4.85 118.16 117.42 1xu9 n LYS 44 Ca 0.03 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1xu9 n LYS 44 Cb 0.61 2.53 0.00 0.00 -0.65 0.00 0.00 35.03 37.52 1xu9 n LYS 44 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xu9 n GLY 45 N -0.50 1.18 0.33 2.58 0.00 -1.26 -2.08 105.19 105.44 1xu9 n GLY 45 Ca -0.05 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 1xu9 n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1xu9 h ILE 46 N 0.00 1.21 -0.28 -0.61 2.04 -1.88 -2.69 117.51 115.30 1xu9 h ILE 46 Ca 0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1xu9 h ILE 46 Cb 0.00 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1xu9 h ILE 46 CO 0.00 0.26 0.18 1.23 0.00 0.00 0.00 178.15 179.82 1xu9 h GLY 47 N 1.00 0.39 0.84 5.37 0.00 -1.65 0.42 103.07 109.45 1xu9 h GLY 47 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1xu9 h GLY 47 CO -0.03 0.15 0.20 -0.09 0.00 0.00 0.00 176.54 176.77 1xu9 h ARG 48 N 0.37 0.39 -0.41 4.80 2.43 -1.26 -1.50 114.38 119.21 1xu9 h ARG 48 Ca 0.10 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1xu9 h ARG 48 Cb -0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1xu9 h ARG 48 CO -0.02 0.26 0.21 0.93 -1.51 0.00 0.00 179.97 179.83 1xu9 h GLU 49 N 0.40 0.56 -0.37 0.20 4.39 -1.11 -1.51 114.58 117.14 1xu9 h GLU 49 Ca 0.16 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1xu9 h GLU 49 Cb 0.05 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1xu9 h GLU 49 CO -0.10 0.43 -0.06 0.52 -1.16 0.00 0.00 179.01 178.64 1xu9 h MET 50 N 0.56 0.69 -0.65 2.33 2.86 -0.48 -1.60 114.93 118.65 1xu9 h MET 50 Ca 0.14 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1xu9 h MET 50 Cb 0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1xu9 h MET 50 CO -0.02 0.83 0.36 0.00 1.06 0.00 0.00 176.91 179.14 1xu9 h ALA 51 N 0.84 0.86 -0.53 6.32 0.00 -0.76 -0.85 119.26 125.14 1xu9 h ALA 51 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xu9 h ALA 51 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xu9 h ALA 51 CO 0.03 0.05 0.09 1.88 0.00 0.00 0.00 179.25 181.30 1xu9 h TYR 52 N 0.68 0.94 -0.69 0.00 0.05 -1.17 -0.08 116.97 116.69 1xu9 h TYR 52 Ca 0.28 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 1xu9 h TYR 52 Cb 0.15 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1xu9 h TYR 52 CO -0.07 0.84 0.33 0.45 -1.05 0.00 0.00 178.16 178.66 1xu9 h HIS 53 N 0.76 1.00 -0.57 4.88 3.86 -0.96 -1.09 115.15 123.03 1xu9 h HIS 53 Ca 0.16 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1xu9 h HIS 53 Cb 0.41 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1xu9 h HIS 53 CO 0.03 0.74 0.06 -0.07 0.86 0.00 0.00 177.93 179.55 1xu9 h LEU 54 N 0.97 0.89 -0.03 2.43 3.38 -0.90 -1.92 115.31 120.13 1xu9 h LEU 54 Ca 0.24 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xu9 h LEU 54 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1xu9 h LEU 54 CO -0.03 0.92 0.02 0.00 0.09 0.00 0.00 178.44 179.44 1xu9 h ALA 55 N 1.18 0.04 -0.22 1.53 0.00 -0.58 -1.54 119.26 119.66 1xu9 h ALA 55 Ca 0.17 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1xu9 h ALA 55 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xu9 h ALA 55 CO 0.01 -0.44 0.15 0.87 0.00 0.00 0.00 179.25 179.84 1xu9 h LYS 56 N 0.00 0.21 -0.00 0.00 1.57 -0.96 -0.67 116.57 116.72 1xu9 h LYS 56 Ca 0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xu9 h LYS 56 Cb 0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xu9 h LYS 56 CO -0.00 0.14 -0.03 -1.33 -0.57 0.00 0.00 179.45 177.66 1xu9 n MET 57 N -4.50 0.68 -2.03 3.15 2.81 -0.75 -4.91 117.12 111.57 1xu9 n MET 57 Ca 0.01 -0.09 -0.01 0.00 -1.81 0.00 0.00 57.70 55.80 1xu9 n MET 57 Cb 0.14 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.15 1xu9 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xu9 n GLY 58 N 1.21 0.33 3.88 3.03 0.00 -0.30 -3.48 105.19 109.86 1xu9 n GLY 58 Ca 0.17 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1xu9 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xu9 s ALA 59 N -2.07 3.04 -0.08 4.61 0.00 -0.63 -1.20 121.76 125.42 1xu9 s ALA 59 Ca 0.00 -0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 1xu9 s ALA 59 Cb -0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1xu9 s ALA 59 CO 0.00 -0.86 0.65 -1.01 0.00 0.00 0.00 175.76 174.55 1xu9 s HIS 60 N -3.23 3.55 -0.00 0.00 3.76 0.29 -0.96 115.29 118.71 1xu9 s HIS 60 Ca 0.56 1.16 0.05 0.00 -0.15 0.00 0.00 55.06 56.68 1xu9 s HIS 60 Cb -0.11 -2.76 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 1xu9 s HIS 60 CO 0.53 0.09 -0.16 0.14 -0.85 0.00 0.00 174.74 174.49 1xu9 s VAL 61 N 0.83 1.22 -0.15 -0.90 -7.23 -0.55 -0.82 120.40 112.80 1xu9 s VAL 61 Ca 0.35 -0.73 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 1xu9 s VAL 61 Cb -0.17 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.76 1xu9 s VAL 61 CO 0.16 0.30 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.40 1xu9 s VAL 62 N -0.44 1.70 0.09 1.32 1.01 -0.55 -1.85 120.40 121.68 1xu9 s VAL 62 Ca 0.06 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1xu9 s VAL 62 Cb -0.06 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1xu9 s VAL 62 CO -0.00 0.48 0.03 0.68 0.00 0.00 0.00 175.10 176.29 1xu9 s VAL 63 N 1.39 4.22 0.05 2.92 -7.23 -0.50 -1.58 120.40 119.67 1xu9 s VAL 63 Ca 0.04 -0.92 -0.04 0.00 -1.81 0.00 0.00 61.98 59.24 1xu9 s VAL 63 Cb -0.13 -3.03 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 1xu9 s VAL 63 CO -0.10 0.10 0.07 0.28 -0.31 0.00 0.00 175.10 175.14 1xu9 s THR 64 N -1.37 0.16 -0.48 5.32 -1.32 -0.91 -1.98 115.64 115.06 1xu9 s THR 64 Ca 0.27 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1xu9 s THR 64 Cb -0.12 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 1xu9 s THR 64 CO 0.20 -0.71 0.00 0.00 -2.21 0.00 0.00 174.62 171.90 1xu9 n ALA 65 N 0.53 0.00 0.03 11.08 0.00 -1.26 -1.59 120.51 129.30 1xu9 n ALA 65 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 1xu9 n ALA 65 Cb 0.59 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.95 1xu9 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xu9 h ARG 66 N 0.00 0.00 -4.76 0.00 3.08 -1.92 -1.41 114.38 109.36 1xu9 h ARG 66 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 1xu9 h ARG 66 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.86 1xu9 h ARG 66 CO 0.00 0.53 -0.07 0.45 -1.07 0.00 0.00 179.97 179.81 1xu9 s SER 67 N -6.16 6.20 0.34 7.04 0.15 -1.26 -4.38 113.70 115.63 1xu9 s SER 67 Ca -0.02 -1.03 0.05 0.00 0.70 0.00 0.00 55.95 55.64 1xu9 s SER 67 Cb 0.09 -2.26 0.63 0.00 -1.71 0.00 0.00 66.02 62.76 1xu9 s SER 67 CO 0.81 -0.81 1.88 0.07 1.20 0.00 0.00 173.24 176.39 1xu9 h LYS 68 N 8.92 0.50 -0.18 5.44 2.10 -1.97 -1.61 116.57 129.76 1xu9 h LYS 68 Ca -0.28 -0.10 -0.01 0.00 -2.00 0.00 0.00 60.65 58.26 1xu9 h LYS 68 Cb 1.10 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 1xu9 h LYS 68 CO 0.94 0.53 0.08 0.93 -2.00 0.00 0.00 179.45 179.93 1xu9 h GLU 69 N 0.48 0.26 -0.15 0.07 3.07 -2.00 -0.55 114.58 115.75 1xu9 h GLU 69 Ca 0.10 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 58.75 1xu9 h GLU 69 Cb 0.33 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1xu9 h GLU 69 CO 0.01 0.31 -0.61 1.79 -1.40 0.00 0.00 179.01 179.11 1xu9 h THR 70 N 0.14 1.33 -0.56 1.13 1.35 -1.92 -2.95 112.91 111.43 1xu9 h THR 70 Ca 0.06 -1.90 -0.07 0.00 -0.55 0.00 0.00 66.41 63.95 1xu9 h THR 70 Cb 0.15 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1xu9 h THR 70 CO -0.01 0.59 0.05 -0.07 -0.25 0.00 0.00 175.52 175.83 1xu9 h LEU 71 N 0.39 0.89 -1.02 3.87 3.38 -1.15 -2.04 115.31 119.63 1xu9 h LEU 71 Ca -0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1xu9 h LEU 71 Cb 1.17 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1xu9 h LEU 71 CO 0.11 0.92 0.38 -0.61 0.09 0.00 0.00 178.44 179.33 1xu9 h GLN 72 N 0.87 1.07 -0.54 1.13 5.75 -1.01 -0.69 115.11 121.69 1xu9 h GLN 72 Ca 0.17 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.45 1xu9 h GLN 72 Cb 0.44 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1xu9 h GLN 72 CO 0.02 0.82 0.02 0.87 -2.65 0.00 0.00 178.83 177.90 1xu9 h LYS 73 N 1.07 0.91 -0.36 1.69 1.57 -1.28 -1.40 116.57 118.76 1xu9 h LYS 73 Ca 0.26 -0.25 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1xu9 h LYS 73 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xu9 h LYS 73 CO -0.04 0.88 -0.08 0.28 -0.57 0.00 0.00 179.45 179.93 1xu9 h VAL 74 N 0.84 1.28 -0.52 0.50 2.07 -0.84 -2.14 116.25 117.44 1xu9 h VAL 74 Ca 0.16 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 1xu9 h VAL 74 Cb 0.47 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1xu9 h VAL 74 CO 0.02 0.37 0.31 0.58 0.02 0.00 0.00 177.57 178.87 1xu9 h VAL 75 N 0.48 1.16 -0.70 2.57 2.07 -0.98 -0.11 116.25 120.74 1xu9 h VAL 75 Ca 0.09 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1xu9 h VAL 75 Cb 0.58 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1xu9 h VAL 75 CO 0.03 0.17 0.26 0.28 0.02 0.00 0.00 177.57 178.34 1xu9 h SER 76 N 0.70 0.97 -0.23 0.57 0.02 -1.17 -1.43 113.55 112.98 1xu9 h SER 76 Ca 0.19 -0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1xu9 h SER 76 Cb -0.00 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1xu9 h SER 76 CO -0.03 0.87 -0.50 -0.74 -1.14 0.00 0.00 176.83 175.28 1xu9 h HIS 77 N 1.02 1.01 -0.52 3.45 6.17 -1.04 -2.49 115.15 122.74 1xu9 h HIS 77 Ca 0.23 -0.34 0.05 0.00 0.71 0.00 0.00 60.37 61.02 1xu9 h HIS 77 Cb 0.22 -0.20 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 1xu9 h HIS 77 CO 0.02 1.15 0.25 0.00 0.71 0.00 0.00 177.93 180.06 1xu9 h LEU 79 N 0.49 0.80 -1.05 0.00 3.38 -1.21 -1.75 115.31 115.97 1xu9 h LEU 79 Ca 0.24 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1xu9 h LEU 79 Cb 0.17 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1xu9 h LEU 79 CO -0.18 0.68 0.64 -0.33 0.09 0.00 0.00 178.44 179.34 1xu9 h GLU 80 N 0.86 1.23 0.00 1.13 5.08 -0.96 -2.59 114.58 119.33 1xu9 h GLU 80 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xu9 h GLU 80 Cb 0.07 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1xu9 h GLU 80 CO -0.03 0.82 0.00 -0.07 -1.00 0.00 0.00 179.01 178.72 1xu9 h LEU 81 N 1.27 0.00 0.00 1.33 3.38 -0.70 -3.46 115.31 117.13 1xu9 h LEU 81 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1xu9 h LEU 81 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1xu9 h LEU 81 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1xu9 n GLY 82 N 0.44 1.73 3.77 0.83 0.00 -0.98 -4.06 105.19 106.93 1xu9 n GLY 82 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1xu9 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xu9 s ALA 83 N -2.00 3.61 0.31 4.61 0.00 -0.70 -4.06 121.76 123.53 1xu9 s ALA 83 Ca 0.00 1.55 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 1xu9 s ALA 83 Cb 0.00 -3.61 0.48 0.00 0.00 0.00 0.00 23.12 19.99 1xu9 s ALA 83 CO 0.00 -1.01 1.98 0.00 0.00 0.00 0.00 175.76 176.73 1xu9 h ALA 84 N 3.49 1.44 -2.82 0.00 0.00 -1.17 -3.45 119.26 116.75 1xu9 h ALA 84 Ca -0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 1xu9 h ALA 84 Cb 1.23 -0.32 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 1xu9 h ALA 84 CO 0.68 0.52 0.20 -1.54 0.00 0.00 0.00 179.25 179.12 1xu9 s SER 85 N -6.33 -0.58 -0.12 0.00 1.04 -1.25 -4.95 113.70 101.51 1xu9 s SER 85 Ca -0.11 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 1xu9 s SER 85 Cb 0.18 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.93 1xu9 s SER 85 CO 0.79 -0.90 0.28 0.00 0.98 0.00 0.00 173.24 174.38 1xu9 s ALA 86 N -3.28 -0.67 0.08 5.32 0.00 -1.26 -1.48 121.76 120.47 1xu9 s ALA 86 Ca -0.01 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1xu9 s ALA 86 Cb -0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 1xu9 s ALA 86 CO -0.09 -0.20 -0.05 -1.01 0.00 0.00 0.00 175.76 174.42 1xu9 s HIS 87 N 1.11 0.71 0.10 0.00 3.76 -0.77 -5.01 115.29 115.19 1xu9 s HIS 87 Ca -0.08 -0.99 0.07 0.00 -0.15 0.00 0.00 55.06 53.91 1xu9 s HIS 87 Cb -0.09 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.11 1xu9 s HIS 87 CO -0.08 -0.27 -0.19 1.52 -0.85 0.00 0.00 174.74 174.88 1xu9 s TYR 88 N -3.77 1.62 -0.09 1.40 -0.85 -1.26 -1.40 117.35 113.00 1xu9 s TYR 88 Ca 0.10 -0.44 -0.00 0.00 -0.52 0.00 0.00 57.07 56.20 1xu9 s TYR 88 Cb 0.07 -0.89 0.02 0.00 0.38 0.00 0.00 41.96 41.55 1xu9 s TYR 88 CO -0.07 0.17 -0.05 0.42 -1.52 0.00 0.00 175.55 174.50 1xu9 s ILE 89 N -1.29 0.73 -0.05 -3.49 1.01 -0.84 -4.95 121.20 112.32 1xu9 s ILE 89 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1xu9 s ILE 89 Cb -0.10 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1xu9 s ILE 89 CO 0.04 0.31 0.34 0.00 0.00 0.00 0.00 174.94 175.63 1xu9 s ALA 90 N 1.62 3.71 0.00 9.38 0.00 -1.26 -4.02 121.76 131.19 1xu9 s ALA 90 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1xu9 s ALA 90 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.67 1xu9 s ALA 90 CO -0.05 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.55 1xu9 n GLY 91 N 2.14 -0.30 3.76 0.00 0.00 -0.53 -4.99 105.19 105.27 1xu9 n GLY 91 Ca -0.14 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 1xu9 n GLY 91 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xu9 s THR 92 N -2.00 5.03 -2.07 2.61 -1.32 -1.26 -3.46 115.64 113.17 1xu9 s THR 92 Ca 0.00 0.04 0.16 0.00 -1.21 0.00 0.00 61.69 60.68 1xu9 s THR 92 Cb 0.00 -3.20 0.42 0.00 -1.51 0.00 0.00 72.50 68.21 1xu9 s THR 92 CO 0.00 0.57 1.54 0.23 -2.21 0.00 0.00 174.62 174.75 1xu9 n MET 93 N 2.50 1.24 0.24 7.08 0.00 -1.26 -2.01 117.12 124.91 1xu9 n MET 93 Ca -0.19 -0.36 0.09 0.00 0.00 0.00 0.00 57.70 57.24 1xu9 n MET 93 Cb 0.54 -1.28 0.59 0.00 0.00 0.00 0.00 33.22 33.07 1xu9 n MET 93 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1xu9 h GLU 94 N 0.71 0.00 -4.40 0.03 5.08 -1.93 -3.42 114.58 110.66 1xu9 h GLU 94 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 1xu9 h GLU 94 Cb 0.16 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.19 1xu9 h GLU 94 CO 0.00 0.19 -0.25 0.34 -1.00 0.00 0.00 179.01 178.30 1xu9 s ASP 95 N -6.40 6.16 0.47 1.42 -1.08 -0.85 -4.94 116.67 111.46 1xu9 s ASP 95 Ca -0.02 -1.31 0.24 0.00 -0.52 0.00 0.00 52.55 50.93 1xu9 s ASP 95 Cb 0.13 -2.21 1.16 0.00 -1.46 0.00 0.00 42.92 40.55 1xu9 s ASP 95 CO 0.63 -0.72 1.95 0.24 0.52 0.00 0.00 175.17 177.79 1xu9 h MET 96 N 8.82 0.00 -0.39 4.34 2.86 -1.86 -1.94 114.93 126.77 1xu9 h MET 96 Ca -0.28 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1xu9 h MET 96 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1xu9 h MET 96 CO 0.91 0.20 -0.07 1.15 1.06 0.00 0.00 176.91 180.17 1xu9 h THR 97 N 0.00 1.27 -0.48 2.22 2.02 -1.95 -2.36 112.91 113.63 1xu9 h THR 97 Ca -0.00 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1xu9 h THR 97 Cb 0.52 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1xu9 h THR 97 CO 0.03 0.38 0.26 0.15 0.37 0.00 0.00 175.52 176.70 1xu9 h PHE 98 N 0.54 0.49 -0.19 3.16 3.57 -1.70 -1.30 116.94 121.51 1xu9 h PHE 98 Ca 0.10 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1xu9 h PHE 98 Cb 0.57 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1xu9 h PHE 98 CO 0.05 0.26 -0.04 0.00 -2.23 0.00 0.00 178.31 176.34 1xu9 h ALA 99 N 1.24 0.13 -0.13 2.41 0.00 -1.24 0.23 119.26 121.90 1xu9 h ALA 99 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xu9 h ALA 99 Cb 0.07 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xu9 h ALA 99 CO -0.12 -0.47 0.07 1.49 0.00 0.00 0.00 179.25 180.22 1xu9 h GLU 100 N 0.01 0.14 -0.03 0.00 4.81 -1.27 -2.89 114.58 115.35 1xu9 h GLU 100 Ca 0.09 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1xu9 h GLU 100 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1xu9 h GLU 100 CO -0.19 0.09 -0.55 1.96 -0.73 0.00 0.00 179.01 179.60 1xu9 h GLN 101 N 0.15 0.08 -0.23 1.92 4.20 -0.92 -2.94 115.11 117.38 1xu9 h GLN 101 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xu9 h GLN 101 Cb -0.00 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1xu9 h GLN 101 CO -0.03 0.61 0.14 0.35 -0.67 0.00 0.00 178.83 179.24 1xu9 h PHE 102 N 0.07 0.29 -0.58 2.96 3.57 -0.42 -1.28 116.94 121.53 1xu9 h PHE 102 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xu9 h PHE 102 Cb 0.99 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 1xu9 h PHE 102 CO 0.01 0.20 0.19 0.28 -2.23 0.00 0.00 178.31 176.76 1xu9 h VAL 103 N 0.29 1.24 -0.41 1.41 2.07 -1.35 0.50 116.25 120.01 1xu9 h VAL 103 Ca 0.08 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1xu9 h VAL 103 Cb -0.01 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1xu9 h VAL 103 CO -0.02 0.30 0.22 0.00 0.02 0.00 0.00 177.57 178.10 1xu9 h ALA 104 N 1.06 0.52 -0.25 1.67 0.00 -1.36 -1.16 119.26 119.73 1xu9 h ALA 104 Ca 0.19 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 1xu9 h ALA 104 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xu9 h ALA 104 CO -0.01 -0.13 -0.54 0.37 0.00 0.00 0.00 179.25 178.95 1xu9 h GLN 105 N 0.45 0.76 -0.55 0.00 5.75 -0.87 -1.11 115.11 119.53 1xu9 h GLN 105 Ca 0.17 -0.47 -0.02 0.00 -0.15 0.00 0.00 58.65 58.18 1xu9 h GLN 105 Cb 0.05 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1xu9 h GLN 105 CO -0.10 1.10 0.28 0.00 -2.65 0.00 0.00 178.83 177.46 1xu9 h ALA 106 N 0.81 0.71 -0.67 3.38 0.00 -0.76 -0.19 119.26 122.54 1xu9 h ALA 106 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xu9 h ALA 106 Cb 1.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xu9 h ALA 106 CO 0.11 0.25 0.18 0.78 0.00 0.00 0.00 179.25 180.58 1xu9 h GLY 107 N 0.75 1.11 0.93 0.00 0.00 -1.10 -2.01 103.07 102.75 1xu9 h GLY 107 Ca 0.19 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1xu9 h GLY 107 CO -0.03 0.62 0.14 1.70 0.00 0.00 0.00 176.54 178.97 1xu9 h LYS 108 N 0.99 0.54 -0.88 4.80 3.64 -0.79 0.19 116.57 125.07 1xu9 h LYS 108 Ca 0.21 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1xu9 h LYS 108 Cb 0.32 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1xu9 h LYS 108 CO -0.00 0.53 0.57 -0.07 -2.27 0.00 0.00 179.45 178.20 1xu9 h LEU 109 N 0.43 0.96 0.00 5.20 4.07 -0.78 -3.09 115.31 122.10 1xu9 h LEU 109 Ca 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1xu9 h LEU 109 Cb 0.19 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.71 1xu9 h LEU 109 CO -0.01 0.67 -1.08 0.23 -1.08 0.00 0.00 178.44 177.17 1xu9 n MET 110 N -4.51 0.32 -2.46 1.13 2.81 -0.78 -4.98 117.12 108.64 1xu9 n MET 110 Ca 0.11 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.95 1xu9 n MET 110 Cb 0.06 -1.60 0.01 0.00 -0.71 0.00 0.00 33.22 30.98 1xu9 n MET 110 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xu9 n GLY 111 N 1.36 0.56 0.00 3.03 0.00 0.52 -4.93 105.19 105.73 1xu9 n GLY 111 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1xu9 n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xu9 n GLY 112 N -0.82 0.67 3.61 -0.02 0.00 -0.35 -5.04 105.19 103.23 1xu9 n GLY 112 Ca -0.01 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.87 1xu9 n GLY 112 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xu9 s LEU 113 N 0.00 -1.00 -0.21 0.99 2.96 -1.26 -4.51 118.68 115.65 1xu9 s LEU 113 Ca 0.00 1.49 0.13 0.00 -0.22 0.00 0.00 54.13 55.54 1xu9 s LEU 113 Cb 0.00 2.24 -0.22 0.00 0.50 0.00 0.00 46.19 48.71 1xu9 s LEU 113 CO 0.00 -0.23 -0.01 0.47 -1.32 0.00 0.00 176.35 175.27 1xu9 n ASP 114 N 5.00 0.69 -3.76 3.68 8.00 0.51 -4.12 116.55 126.55 1xu9 n ASP 114 Ca -0.15 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.19 1xu9 n ASP 114 Cb 0.53 0.63 -0.13 0.00 -0.02 0.00 0.00 41.12 42.12 1xu9 n ASP 114 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1xu9 s MET 115 N -2.48 0.18 -0.29 -1.24 1.75 -0.92 -0.88 119.30 115.41 1xu9 s MET 115 Ca -0.16 0.41 -0.03 0.00 -1.25 0.00 0.00 55.69 54.66 1xu9 s MET 115 Cb 0.06 -0.08 0.04 0.00 2.84 0.00 0.00 34.83 37.70 1xu9 s MET 115 CO 0.74 -0.13 0.01 -1.17 -0.65 0.00 0.00 175.02 173.82 1xu9 s LEU 116 N 0.91 3.81 -0.38 4.11 2.96 -0.11 -1.71 118.68 128.27 1xu9 s LEU 116 Ca -0.07 -1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 52.61 1xu9 s LEU 116 Cb -0.08 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1xu9 s LEU 116 CO -0.05 -0.24 0.23 -0.63 -1.32 0.00 0.00 176.35 174.34 1xu9 s ILE 117 N 1.31 4.73 -0.39 6.68 1.01 0.12 -0.76 121.20 133.90 1xu9 s ILE 117 Ca -0.03 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 1xu9 s ILE 117 Cb -0.19 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.67 1xu9 s ILE 117 CO -0.01 -0.24 0.27 -0.76 0.00 0.00 0.00 174.94 174.20 1xu9 s LEU 118 N 1.58 4.92 0.00 2.97 1.43 0.39 -1.66 118.68 128.32 1xu9 s LEU 118 Ca 0.03 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 1xu9 s LEU 118 Cb -0.19 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.91 1xu9 s LEU 118 CO 0.07 -0.40 0.00 -3.20 0.23 0.00 0.00 176.35 173.05 1xu9 n ASN 119 N 5.11 1.12 -4.74 2.29 2.85 -1.26 -1.16 115.26 119.47 1xu9 n ASN 119 Ca -0.11 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 53.99 1xu9 n ASN 119 Cb 0.47 0.15 0.06 0.00 1.24 0.00 0.00 39.78 41.70 1xu9 n ASN 119 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 1xu9 s HIS 120 N -0.97 2.18 0.05 1.20 -3.43 -1.25 -4.82 115.29 108.25 1xu9 s HIS 120 Ca 0.00 1.51 -0.04 0.00 -0.80 0.00 0.00 55.06 55.74 1xu9 s HIS 120 Cb 0.00 -3.58 -0.02 0.00 -1.43 0.00 0.00 32.58 27.54 1xu9 s HIS 120 CO 0.00 -2.63 0.05 0.96 -2.00 0.00 0.00 174.74 171.12 1xu9 s ILE 121 N -1.57 0.16 0.63 -5.38 -4.36 -1.26 -4.75 121.20 104.67 1xu9 s ILE 121 Ca 0.79 -1.35 -0.14 0.00 -0.26 0.00 0.00 60.65 59.69 1xu9 s ILE 121 Cb -0.34 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.24 1xu9 s ILE 121 CO 0.38 -0.75 1.06 0.28 0.24 0.00 0.00 174.94 176.15 1xu9 s THR 122 N -3.14 3.86 0.18 8.37 -1.32 -1.26 -4.95 115.64 117.38 1xu9 s THR 122 Ca -0.00 0.79 -0.32 0.00 -1.21 0.00 0.00 61.69 60.94 1xu9 s THR 122 Cb 0.02 -3.37 -0.12 0.00 -1.51 0.00 0.00 72.50 67.51 1xu9 s THR 122 CO -0.07 -0.61 1.71 0.59 -2.21 0.00 0.00 174.62 174.03 1xu9 n ASN 123 N -2.38 3.80 -3.78 8.08 3.02 -1.26 -4.97 115.26 117.78 1xu9 n ASN 123 Ca 0.08 1.05 -0.15 0.00 -0.03 0.00 0.00 54.58 55.54 1xu9 n ASN 123 Cb 0.53 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.00 1xu9 n ASN 123 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xu9 s THR 124 N 1.36 -0.04 0.37 3.41 2.01 -1.26 -5.07 115.64 116.41 1xu9 s THR 124 Ca 0.77 0.20 0.03 0.00 0.31 0.00 0.00 61.69 63.01 1xu9 s THR 124 Cb -0.54 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1xu9 s THR 124 CO 0.34 0.09 0.09 -0.94 -0.69 0.00 0.00 174.62 173.51 1xu9 s SER 125 N 1.03 2.58 -0.33 3.53 1.04 -1.26 -5.01 113.70 115.27 1xu9 s SER 125 Ca -0.09 -1.53 -0.26 0.00 0.48 0.00 0.00 55.95 54.55 1xu9 s SER 125 Cb -0.13 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1xu9 s SER 125 CO -0.03 -0.78 0.95 -0.76 0.98 0.00 0.00 173.24 173.60 1xu9 s LEU 126 N -3.55 4.00 -0.12 2.42 1.43 -1.26 -4.81 118.68 116.79 1xu9 s LEU 126 Ca 0.29 0.79 -0.26 0.00 -1.03 0.00 0.00 54.13 53.92 1xu9 s LEU 126 Cb 0.06 -3.32 0.06 0.00 0.03 0.00 0.00 46.19 43.02 1xu9 s LEU 126 CO 0.14 -0.80 0.63 0.20 0.23 0.00 0.00 176.35 176.76 1xu9 s ASN 127 N 1.71 -0.62 0.55 2.29 0.01 -0.83 -5.06 114.94 113.00 1xu9 s ASN 127 Ca 0.39 0.87 -0.22 0.00 -0.71 0.00 0.00 52.86 53.20 1xu9 s ASN 127 Cb -0.13 0.80 -0.05 0.00 0.41 0.00 0.00 41.25 42.29 1xu9 s ASN 127 CO 0.15 -0.45 1.33 0.18 -1.51 0.00 0.00 177.10 176.81 1xu9 n LEU 128 N 1.61 5.42 -4.65 0.60 4.77 -1.26 -4.30 117.00 119.19 1xu9 n LEU 128 Ca -0.17 0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 56.35 1xu9 n LEU 128 Cb 0.56 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 1xu9 n LEU 128 CO 0.17 -0.67 0.80 0.12 -1.33 0.00 0.00 177.39 176.48 1xu9 s PHE 129 N -1.30 3.30 -0.17 -1.77 5.36 -1.26 -5.01 117.98 117.14 1xu9 s PHE 129 Ca 0.72 1.28 -0.04 0.00 -0.96 0.00 0.00 56.93 57.93 1xu9 s PHE 129 Cb -0.42 -3.22 0.07 0.00 -0.34 0.00 0.00 43.02 39.11 1xu9 s PHE 129 CO 0.49 -0.48 0.14 -1.58 -1.46 0.00 0.00 175.22 172.33 1xu9 s HIS 130 N 3.09 -0.02 -1.46 10.12 2.46 -1.26 -4.95 115.29 123.27 1xu9 s HIS 130 Ca 0.40 -0.01 -0.09 0.00 0.47 0.00 0.00 55.06 55.83 1xu9 s HIS 130 Cb -0.15 -0.52 0.04 0.00 -0.13 0.00 0.00 32.58 31.82 1xu9 s HIS 130 CO 0.08 -0.51 0.80 -3.47 -2.47 0.00 0.00 174.74 169.17 1xu9 n ASP 131 N 5.30 -5.32 -3.21 9.88 -0.08 -1.26 -4.88 116.55 116.98 1xu9 n ASP 131 Ca -0.06 -0.49 -0.32 0.00 -1.51 0.00 0.00 54.79 52.41 1xu9 n ASP 131 Cb 0.49 -4.27 -0.02 0.00 2.34 0.00 0.00 41.12 39.66 1xu9 n ASP 131 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1xu9 n ASP 132 N -2.65 5.44 -0.08 1.67 -0.08 -1.26 -4.80 116.55 114.77 1xu9 n ASP 132 Ca -0.03 -3.67 0.07 0.00 -1.51 0.00 0.00 54.79 49.65 1xu9 n ASP 132 Cb 0.57 -0.78 0.42 0.00 2.34 0.00 0.00 41.12 43.67 1xu9 n ASP 132 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1xu9 h ILE 133 N 2.75 1.03 -0.39 5.18 1.08 -1.99 -2.41 117.51 122.76 1xu9 h ILE 133 Ca 0.27 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.57 1xu9 h ILE 133 Cb 0.45 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1xu9 h ILE 133 CO 0.95 0.11 0.16 -0.74 -0.69 0.00 0.00 178.15 177.94 1xu9 h HIS 134 N 0.59 0.29 -0.17 1.37 2.76 -2.00 0.21 115.15 118.21 1xu9 h HIS 134 Ca 0.24 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.30 1xu9 h HIS 134 Cb 0.19 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1xu9 h HIS 134 CO -0.00 0.13 -0.42 1.25 -1.30 0.00 0.00 177.93 177.59 1xu9 h HIS 135 N 0.33 0.48 -0.12 5.26 -0.00 -1.85 -0.49 115.15 118.76 1xu9 h HIS 135 Ca 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1xu9 h HIS 135 Cb 0.12 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1xu9 h HIS 135 CO -0.13 0.76 0.05 0.28 -0.00 0.00 0.00 177.93 178.90 1xu9 h VAL 136 N 0.33 1.15 -0.41 5.26 2.07 -1.02 -0.74 116.25 122.90 1xu9 h VAL 136 Ca 0.03 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xu9 h VAL 136 Cb 0.88 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1xu9 h VAL 136 CO 0.07 0.13 0.15 -0.09 0.02 0.00 0.00 177.57 177.86 1xu9 h ARG 137 N 0.05 0.62 -0.53 1.57 2.43 -0.81 -1.32 114.38 116.38 1xu9 h ARG 137 Ca 0.04 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1xu9 h ARG 137 Cb 0.17 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1xu9 h ARG 137 CO -0.00 0.59 0.24 -0.22 -1.51 0.00 0.00 179.97 179.06 1xu9 h LYS 138 N 0.51 0.78 -0.43 0.20 1.63 -1.04 0.29 116.57 118.52 1xu9 h LYS 138 Ca 0.13 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1xu9 h LYS 138 Cb 0.21 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1xu9 h LYS 138 CO -0.01 0.66 0.24 0.77 -3.45 0.00 0.00 179.45 177.66 1xu9 h SER 139 N 0.72 0.54 -0.54 4.20 0.02 -1.04 -0.11 113.55 117.34 1xu9 h SER 139 Ca 0.18 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1xu9 h SER 139 Cb 0.16 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1xu9 h SER 139 CO -0.02 0.47 0.11 -0.03 -1.14 0.00 0.00 176.83 176.22 1xu9 h MET 140 N 0.56 0.93 -0.05 3.45 1.85 -0.83 0.06 114.93 120.90 1xu9 h MET 140 Ca 0.15 -0.22 -0.03 0.00 -0.61 0.00 0.00 59.70 58.99 1xu9 h MET 140 Cb 0.05 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 31.96 1xu9 h MET 140 CO -0.02 0.86 -0.10 0.93 -0.40 0.00 0.00 176.91 178.18 1xu9 h GLU 141 N 0.88 0.16 0.15 0.39 4.39 -0.66 0.37 114.58 120.26 1xu9 h GLU 141 Ca 0.18 -0.10 -0.20 0.00 0.34 0.00 0.00 59.36 59.58 1xu9 h GLU 141 Cb 0.37 0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1xu9 h GLU 141 CO 0.01 0.67 -0.87 0.28 -1.16 0.00 0.00 179.01 177.93 1xu9 h VAL 142 N -0.33 1.49 0.00 3.13 2.07 -1.02 -0.90 116.25 120.69 1xu9 h VAL 142 Ca 0.00 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 64.86 1xu9 h VAL 142 Cb 0.66 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 1xu9 h VAL 142 CO 0.02 0.72 -0.77 0.78 0.02 0.00 0.00 177.57 178.34 1xu9 h ASN 143 N -0.31 0.00 0.00 0.57 2.35 -1.12 -3.39 115.58 113.68 1xu9 h ASN 143 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1xu9 h ASN 143 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1xu9 h ASN 143 CO 0.16 0.49 0.00 0.33 -1.65 0.00 0.00 177.43 176.77 1xu9 n PHE 144 N -3.10 -0.12 -0.21 1.19 7.35 -0.97 -4.67 117.46 116.92 1xu9 n PHE 144 Ca -0.01 0.02 -0.04 0.00 -0.76 0.00 0.00 57.45 56.66 1xu9 n PHE 144 Cb 0.75 0.03 0.14 0.00 0.35 0.00 0.00 39.48 40.75 1xu9 n PHE 144 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xu9 h LEU 145 N 0.00 0.92 -1.33 -2.13 3.38 -0.79 -1.41 115.31 113.96 1xu9 h LEU 145 Ca 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1xu9 h LEU 145 Cb 0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xu9 h LEU 145 CO 0.00 0.84 -0.08 0.77 0.09 0.00 0.00 178.44 180.06 1xu9 h SER 146 N 0.97 0.33 -0.70 -0.43 4.64 -1.35 -1.15 113.55 115.86 1xu9 h SER 146 Ca 0.22 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1xu9 h SER 146 Cb 0.23 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 1xu9 h SER 146 CO -0.01 0.45 0.26 1.88 -0.87 0.00 0.00 176.83 178.53 1xu9 h TYR 147 N 0.33 1.11 -0.31 4.77 -1.99 -1.50 -0.25 116.97 119.13 1xu9 h TYR 147 Ca 0.07 -0.09 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 1xu9 h TYR 147 Cb 0.36 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 1xu9 h TYR 147 CO 0.01 0.86 0.01 0.28 -0.00 0.00 0.00 178.16 179.32 1xu9 h VAL 148 N 1.05 1.25 -0.51 -2.88 2.07 -0.98 -1.45 116.25 114.82 1xu9 h VAL 148 Ca 0.24 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1xu9 h VAL 148 Cb 0.24 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1xu9 h VAL 148 CO -0.01 0.30 0.33 0.58 0.02 0.00 0.00 177.57 178.79 1xu9 h VAL 149 N 0.35 1.13 -0.83 2.57 2.07 -0.99 -0.64 116.25 119.92 1xu9 h VAL 149 Ca 0.09 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1xu9 h VAL 149 Cb 0.42 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1xu9 h VAL 149 CO 0.01 0.13 0.40 -0.07 0.02 0.00 0.00 177.57 178.06 1xu9 h LEU 150 N 0.69 1.09 -0.28 2.57 3.38 -1.00 -1.77 115.31 119.98 1xu9 h LEU 150 Ca 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1xu9 h LEU 150 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1xu9 h LEU 150 CO -0.04 0.92 0.04 0.74 0.09 0.00 0.00 178.44 180.19 1xu9 h THR 151 N 1.18 1.23 -0.96 0.22 2.02 -0.79 -1.18 112.91 114.62 1xu9 h THR 151 Ca 0.28 -0.80 0.06 0.00 0.77 0.00 0.00 66.41 66.73 1xu9 h THR 151 Cb 0.12 1.21 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 1xu9 h THR 151 CO -0.04 0.26 0.62 0.58 0.37 0.00 0.00 175.52 177.31 1xu9 h VAL 152 N 0.29 1.09 -0.05 3.16 2.07 -0.94 -0.84 116.25 121.03 1xu9 h VAL 152 Ca 0.09 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.09 1xu9 h VAL 152 Cb 0.34 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1xu9 h VAL 152 CO 0.01 0.21 -0.53 0.00 0.02 0.00 0.00 177.57 177.27 1xu9 h ALA 153 N 1.43 1.01 0.00 1.67 0.00 -1.08 -3.20 119.26 119.09 1xu9 h ALA 153 Ca 0.41 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xu9 h ALA 153 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xu9 h ALA 153 CO -0.16 0.68 -0.79 0.00 0.00 0.00 0.00 179.25 178.98 1xu9 h ALA 154 N 1.33 0.57 -0.46 0.00 0.00 -0.57 -3.41 119.26 116.73 1xu9 h ALA 154 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xu9 h ALA 154 Cb 0.98 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1xu9 h ALA 154 CO 0.08 0.00 0.17 1.25 0.00 0.00 0.00 179.25 180.75 1xu9 h LEU 155 N 0.00 0.65 -0.67 0.00 5.85 -1.17 -1.47 115.31 118.50 1xu9 h LEU 155 Ca 0.00 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.67 1xu9 h LEU 155 Cb 0.93 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.69 1xu9 h LEU 155 CO 0.00 0.65 0.16 -0.65 -0.34 0.00 0.00 178.44 178.26 1xu9 h PRO 156 N 0.61 0.27 -0.36 5.25 0.11 -1.80 0.11 132.00 136.19 1xu9 h PRO 156 Ca 0.15 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1xu9 h PRO 156 Cb 0.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1xu9 h PRO 156 CO -0.01 0.18 -0.34 0.52 -0.21 0.00 0.00 178.00 178.15 1xu9 h MET 157 N 0.28 0.81 -0.19 1.05 2.86 -1.72 -2.33 114.93 115.68 1xu9 h MET 157 Ca 0.36 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1xu9 h MET 157 Cb 0.56 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1xu9 h MET 157 CO -0.44 1.02 -0.35 -0.07 1.06 0.00 0.00 176.91 178.13 1xu9 h LEU 158 N 0.68 0.43 -0.77 1.22 3.38 -0.59 -2.36 115.31 117.30 1xu9 h LEU 158 Ca 0.07 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1xu9 h LEU 158 Cb 0.89 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xu9 h LEU 158 CO 0.08 0.75 -0.05 0.11 0.09 0.00 0.00 178.44 179.42 1xu9 h LYS 159 N 0.35 0.89 -0.64 1.13 1.57 -0.64 0.85 116.57 120.07 1xu9 h LYS 159 Ca 0.04 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1xu9 h LYS 159 Cb 0.79 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1xu9 h LYS 159 CO 0.06 0.91 0.26 0.37 -0.57 0.00 0.00 179.45 180.48 1xu9 h GLN 160 N 0.81 0.94 -0.02 3.15 5.75 -1.06 -3.03 115.11 121.64 1xu9 h GLN 160 Ca 0.14 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1xu9 h GLN 160 Cb 0.55 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1xu9 h GLN 160 CO 0.03 0.77 -0.09 -1.13 -2.65 0.00 0.00 178.83 175.76 1xu9 n SER 161 N -4.31 2.44 -3.75 -0.69 3.41 -0.92 -4.96 113.62 104.85 1xu9 n SER 161 Ca 0.06 -1.76 -0.22 0.00 -0.26 0.00 0.00 58.87 56.68 1xu9 n SER 161 Cb 0.17 0.09 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1xu9 n SER 161 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xu9 n ASN 162 N 0.79 -1.27 -1.38 4.04 3.02 -0.12 -4.97 115.26 115.37 1xu9 n ASN 162 Ca 0.14 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1xu9 n ASN 162 Cb 0.52 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1xu9 n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xu9 n GLY 163 N -1.63 1.10 3.07 7.41 0.00 0.11 -4.78 105.19 110.46 1xu9 n GLY 163 Ca -0.28 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 1xu9 n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xu9 s SER 164 N -1.00 -0.15 -0.14 1.61 0.01 -0.06 -1.60 113.70 112.37 1xu9 s SER 164 Ca 0.00 0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.50 1xu9 s SER 164 Cb 0.00 0.33 -0.02 0.00 0.21 0.00 0.00 66.02 66.54 1xu9 s SER 164 CO 0.00 -0.12 -0.08 -0.63 0.41 0.00 0.00 173.24 172.82 1xu9 s ILE 165 N -0.17 3.51 -0.20 1.44 1.01 0.58 -0.93 121.20 126.45 1xu9 s ILE 165 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1xu9 s ILE 165 Cb -0.02 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1xu9 s ILE 165 CO 0.01 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 1xu9 s VAL 166 N 0.30 2.27 -0.25 2.92 1.01 0.06 -0.90 120.40 125.81 1xu9 s VAL 166 Ca -0.07 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 1xu9 s VAL 166 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1xu9 s VAL 166 CO 0.04 0.46 0.00 -0.69 0.00 0.00 0.00 175.10 174.91 1xu9 s VAL 167 N 1.30 3.56 -0.16 2.92 1.01 0.31 -0.46 120.40 128.87 1xu9 s VAL 167 Ca 0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1xu9 s VAL 167 Cb -0.14 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1xu9 s VAL 167 CO -0.11 0.28 0.70 -0.69 0.00 0.00 0.00 175.10 175.28 1xu9 s VAL 168 N 1.47 4.99 0.00 2.92 1.01 -0.31 -0.87 120.40 129.61 1xu9 s VAL 168 Ca 0.04 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1xu9 s VAL 168 Cb -0.16 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1xu9 s VAL 168 CO -0.01 0.12 0.00 -0.24 0.00 0.00 0.00 175.10 174.97 1xu9 n SER 169 N 4.80 0.20 -3.51 3.32 2.88 0.15 -4.86 113.62 116.59 1xu9 n SER 169 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1xu9 n SER 169 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1xu9 n SER 169 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1xu9 s SER 170 N 1.00 -0.59 0.29 -3.46 0.01 -1.21 -2.60 113.70 107.13 1xu9 s SER 170 Ca 0.00 0.47 0.03 0.00 1.31 0.00 0.00 55.95 57.76 1xu9 s SER 170 Cb 0.00 0.54 0.65 0.00 0.21 0.00 0.00 66.02 67.42 1xu9 s SER 170 CO 0.00 -0.70 1.77 -0.07 0.41 0.00 0.00 173.24 174.65 1xu9 h LEU 171 N 2.78 0.66 0.00 2.44 3.38 -1.57 0.87 115.31 123.88 1xu9 h LEU 171 Ca -0.29 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xu9 h LEU 171 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xu9 h LEU 171 CO 0.39 0.24 0.00 0.00 0.09 0.00 0.00 178.44 179.16 1xu9 n ALA 172 N -2.38 2.29 0.72 1.53 0.00 -1.26 -1.56 120.51 119.85 1xu9 n ALA 172 Ca 0.21 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1xu9 n ALA 172 Cb 0.52 -1.30 0.22 0.00 0.00 0.00 0.00 19.45 18.89 1xu9 n ALA 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xu9 n GLY 173 N 0.33 1.21 0.00 0.00 0.00 0.30 -4.49 105.19 102.53 1xu9 n GLY 173 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xu9 n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xu9 n LYS 174 N 1.21 2.20 -4.28 1.61 4.76 -0.60 -4.24 118.16 118.83 1xu9 n LYS 174 Ca 0.17 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.46 1xu9 n LYS 174 Cb 0.55 -0.81 -0.10 0.00 -1.84 0.00 0.00 35.03 32.83 1xu9 n LYS 174 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1xu9 s VAL 175 N -1.62 0.55 -0.09 -0.18 -7.23 -0.66 -5.14 120.40 106.03 1xu9 s VAL 175 Ca 0.00 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.03 1xu9 s VAL 175 Cb 0.00 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1xu9 s VAL 175 CO 0.00 -0.17 0.38 0.00 -0.31 0.00 0.00 175.10 175.00 1xu9 s ALA 176 N -3.76 3.60 0.04 1.32 0.00 -1.26 -4.27 121.76 117.44 1xu9 s ALA 176 Ca 0.33 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.03 1xu9 s ALA 176 Cb 0.07 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.72 1xu9 s ALA 176 CO 0.10 0.22 -0.14 0.71 0.00 0.00 0.00 175.76 176.64 1xu9 s TYR 177 N -0.06 1.25 0.71 0.00 1.51 -1.26 -5.08 117.35 114.42 1xu9 s TYR 177 Ca 0.22 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.79 1xu9 s TYR 177 Cb -0.15 -0.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1xu9 s TYR 177 CO 0.09 0.04 1.08 -1.25 -1.11 0.00 0.00 175.55 174.40 1xu9 s PRO 178 N -1.23 2.72 0.00 -1.71 0.04 -1.26 -4.12 135.00 129.45 1xu9 s PRO 178 Ca 0.01 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1xu9 s PRO 178 Cb -0.08 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1xu9 s PRO 178 CO 0.01 -1.28 0.00 -1.33 0.04 0.00 0.00 177.00 174.45 1xu9 n MET 179 N -3.07 0.00 -2.33 4.56 2.81 -1.26 -4.85 117.12 112.99 1xu9 n MET 179 Ca 0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.95 1xu9 n MET 179 Cb 0.53 -2.07 0.05 0.00 -0.71 0.00 0.00 33.22 31.02 1xu9 n MET 179 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1xu9 n VAL 180 N -2.00 1.29 0.10 2.03 0.24 -1.26 -1.96 118.33 116.77 1xu9 n VAL 180 Ca 0.00 -2.79 -0.13 0.00 -2.04 0.00 0.00 64.34 59.38 1xu9 n VAL 180 Cb 0.00 0.76 -0.08 0.00 -1.47 0.00 0.00 33.84 33.05 1xu9 n VAL 180 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xu9 h ALA 181 N 2.14 -0.18 -0.43 2.33 0.00 -1.86 0.17 119.26 121.44 1xu9 h ALA 181 Ca -0.06 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xu9 h ALA 181 Cb 1.42 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1xu9 h ALA 181 CO 0.25 -0.57 0.24 0.00 0.00 0.00 0.00 179.25 179.17 1xu9 h ALA 182 N 0.63 0.54 -0.24 0.00 0.00 -1.93 -0.75 119.26 117.50 1xu9 h ALA 182 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xu9 h ALA 182 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xu9 h ALA 182 CO 0.03 -0.09 0.12 -0.92 0.00 0.00 0.00 179.25 178.40 1xu9 h TYR 183 N 0.49 0.33 -0.81 0.00 3.20 -1.87 -2.65 116.97 115.66 1xu9 h TYR 183 Ca 0.17 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1xu9 h TYR 183 Cb 0.03 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1xu9 h TYR 183 CO -0.08 0.30 0.53 1.03 -1.64 0.00 0.00 178.16 178.30 1xu9 h SER 184 N 0.26 0.95 -0.60 -2.11 0.87 -0.41 -1.20 113.55 111.31 1xu9 h SER 184 Ca 0.08 -0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1xu9 h SER 184 Cb 0.09 -0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 1xu9 h SER 184 CO -0.01 0.70 0.24 0.00 -0.53 0.00 0.00 176.83 177.23 1xu9 h ALA 185 N 1.29 0.78 -0.29 6.23 0.00 -0.98 1.00 119.26 127.29 1xu9 h ALA 185 Ca 0.30 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1xu9 h ALA 185 Cb -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xu9 h ALA 185 CO -0.06 -0.17 -0.35 0.66 0.00 0.00 0.00 179.25 179.33 1xu9 h SER 186 N 0.43 0.69 -0.02 0.00 4.64 -0.99 -1.21 113.55 117.09 1xu9 h SER 186 Ca 0.30 -0.29 -0.25 0.00 -0.47 0.00 0.00 61.79 61.08 1xu9 h SER 186 Cb 0.35 -0.19 0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1xu9 h SER 186 CO -0.28 0.98 -0.95 0.11 -0.87 0.00 0.00 176.83 175.81 1xu9 h LYS 187 N 0.55 0.71 -0.80 4.77 1.79 -0.79 -2.24 116.57 120.55 1xu9 h LYS 187 Ca 0.06 -0.69 0.06 0.00 -2.18 0.00 0.00 60.65 57.89 1xu9 h LYS 187 Cb 0.86 0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 31.63 1xu9 h LYS 187 CO 0.07 1.28 0.49 0.74 -1.08 0.00 0.00 179.45 180.96 1xu9 h PHE 188 N 0.43 0.91 -0.80 -1.35 0.04 -0.77 -2.61 116.94 112.78 1xu9 h PHE 188 Ca -0.10 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.73 1xu9 h PHE 188 Cb 1.59 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 39.40 1xu9 h PHE 188 CO 0.09 0.46 0.51 0.00 -0.60 0.00 0.00 178.31 178.77 1xu9 h ALA 189 N 1.38 1.06 -0.51 2.45 0.00 -1.02 -1.34 119.26 121.29 1xu9 h ALA 189 Ca 0.35 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1xu9 h ALA 189 Cb 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1xu9 h ALA 189 CO -0.17 0.31 0.25 -0.07 0.00 0.00 0.00 179.25 179.57 1xu9 h LEU 190 N 0.98 0.35 0.18 0.00 3.38 -1.05 -0.04 115.31 119.12 1xu9 h LEU 190 Ca 0.33 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1xu9 h LEU 190 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1xu9 h LEU 190 CO -0.12 0.24 -0.09 -0.78 0.09 0.00 0.00 178.44 177.78 1xu9 h ASP 191 N 0.49 -0.20 -0.31 -0.43 3.58 -1.01 0.05 116.42 118.59 1xu9 h ASP 191 Ca 0.23 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.70 1xu9 h ASP 191 Cb 0.15 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 1xu9 h ASP 191 CO -0.17 -0.11 0.02 1.23 -2.88 0.00 0.00 179.24 177.33 1xu9 h GLY 192 N -0.28 0.32 0.67 -0.78 0.00 -1.03 -0.66 103.07 101.31 1xu9 h GLY 192 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1xu9 h GLY 192 CO 0.04 -0.05 -0.21 -2.75 0.00 0.00 0.00 176.54 173.57 1xu9 h PHE 193 N 0.12 -0.55 -0.10 5.60 3.04 -0.88 -2.46 116.94 121.71 1xu9 h PHE 193 Ca 0.15 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.97 1xu9 h PHE 193 Cb 0.18 0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1xu9 h PHE 193 CO -0.20 -0.23 -0.44 0.74 -2.02 0.00 0.00 178.31 176.16 1xu9 h PHE 194 N -0.93 0.29 -0.16 0.41 -1.00 -1.00 -1.12 116.94 113.43 1xu9 h PHE 194 Ca -0.06 -0.08 -0.11 0.00 2.81 0.00 0.00 57.97 60.52 1xu9 h PHE 194 Cb 0.57 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1xu9 h PHE 194 CO 0.01 0.65 -0.39 0.77 -1.61 0.00 0.00 178.31 177.75 1xu9 h SER 195 N 0.20 0.37 -0.13 2.17 0.02 -1.20 -0.99 113.55 113.99 1xu9 h SER 195 Ca 0.01 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.77 1xu9 h SER 195 Cb 0.87 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 1xu9 h SER 195 CO 0.07 0.73 -0.08 0.28 -1.14 0.00 0.00 176.83 176.68 1xu9 h SER 196 N 0.30 0.30 0.11 3.07 0.02 -0.92 -2.72 113.55 113.70 1xu9 h SER 196 Ca 0.03 -0.44 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 1xu9 h SER 196 Cb 0.82 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1xu9 h SER 196 CO 0.07 0.67 -0.20 0.16 -1.14 0.00 0.00 176.83 176.39 1xu9 h ILE 197 N -0.08 1.20 -0.72 3.27 3.07 -1.17 -1.65 117.51 121.42 1xu9 h ILE 197 Ca 0.03 -0.90 0.05 0.00 1.55 0.00 0.00 64.86 65.59 1xu9 h ILE 197 Cb 0.57 1.34 -0.05 0.00 -0.27 0.00 0.00 36.82 38.40 1xu9 h ILE 197 CO 0.02 0.27 0.43 -0.09 -1.05 0.00 0.00 178.15 177.73 1xu9 h ARG 198 N 0.16 0.77 -0.66 0.16 2.43 -1.10 0.14 114.38 116.29 1xu9 h ARG 198 Ca 0.03 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1xu9 h ARG 198 Cb 0.45 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1xu9 h ARG 198 CO 0.03 0.51 0.32 0.87 -1.51 0.00 0.00 179.97 180.19 1xu9 h LYS 199 N 0.80 0.94 -0.68 0.20 1.79 -1.02 -2.23 116.57 116.36 1xu9 h LYS 199 Ca 0.31 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.59 1xu9 h LYS 199 Cb 0.14 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1xu9 h LYS 199 CO -0.16 0.75 0.21 0.93 -1.08 0.00 0.00 179.45 180.10 1xu9 h GLU 200 N 0.91 1.06 -0.12 3.15 5.08 -0.42 -2.04 114.58 122.19 1xu9 h GLU 200 Ca 0.23 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1xu9 h GLU 200 Cb 0.11 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1xu9 h GLU 200 CO -0.03 0.92 -0.24 1.88 -1.00 0.00 0.00 179.01 180.54 1xu9 h TYR 201 N 1.00 0.24 -0.05 4.33 0.05 -0.53 -0.07 116.97 121.93 1xu9 h TYR 201 Ca 0.22 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 1xu9 h TYR 201 Cb 0.30 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 1xu9 h TYR 201 CO 0.02 0.45 -0.01 1.03 -1.05 0.00 0.00 178.16 178.61 1xu9 h SER 202 N 0.20 0.10 0.46 3.88 0.87 -0.96 0.10 113.55 118.19 1xu9 h SER 202 Ca 0.03 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 1xu9 h SER 202 Cb 0.54 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1xu9 h SER 202 CO 0.04 0.43 -0.39 -0.37 -0.53 0.00 0.00 176.83 176.01 1xu9 h VAL 203 N -0.24 1.19 -0.02 2.23 -1.51 -1.14 -2.84 116.25 113.92 1xu9 h VAL 203 Ca 0.01 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.12 1xu9 h VAL 203 Cb 0.39 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1xu9 h VAL 203 CO 0.00 0.38 -0.05 -1.54 -1.23 0.00 0.00 177.57 175.13 1xu9 n SER 204 N -3.96 2.18 -3.66 4.19 3.41 -0.06 -4.96 113.62 110.77 1xu9 n SER 204 Ca -0.02 -1.69 -0.24 0.00 -0.26 0.00 0.00 58.87 56.66 1xu9 n SER 204 Cb 0.43 0.04 0.07 0.00 -0.26 0.00 0.00 64.21 64.49 1xu9 n SER 204 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xu9 n ARG 205 N 0.64 -7.08 -3.00 4.33 5.12 0.13 -4.97 116.66 111.83 1xu9 n ARG 205 Ca 0.16 0.77 -0.41 0.00 -1.93 0.00 0.00 57.85 56.43 1xu9 n ARG 205 Cb 0.47 -5.75 -0.05 0.00 -1.16 0.00 0.00 32.46 25.97 1xu9 n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xu9 s VAL 206 N -3.34 4.91 -0.66 1.55 1.01 0.03 -4.97 120.40 118.93 1xu9 s VAL 206 Ca 0.50 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 63.81 1xu9 s VAL 206 Cb -0.23 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.17 1xu9 s VAL 206 CO 0.76 -0.01 2.73 -3.20 0.00 0.00 0.00 175.10 175.38 1xu9 n ASN 207 N 5.74 6.82 -4.19 3.32 5.15 -1.26 -4.64 115.26 126.20 1xu9 n ASN 207 Ca 0.02 -3.14 -0.33 0.00 -0.60 0.00 0.00 54.58 50.53 1xu9 n ASN 207 Cb 0.48 -1.28 -0.16 0.00 -0.53 0.00 0.00 39.78 38.30 1xu9 n ASN 207 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xu9 s VAL 208 N -1.74 2.32 0.33 3.44 1.01 -1.26 -3.80 120.40 120.70 1xu9 s VAL 208 Ca 0.58 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1xu9 s VAL 208 Cb 0.33 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 1xu9 s VAL 208 CO -0.18 0.53 0.73 -0.94 0.00 0.00 0.00 175.10 175.24 1xu9 s SER 209 N 1.03 6.70 -0.11 3.32 1.04 -0.63 -4.93 113.70 120.11 1xu9 s SER 209 Ca -0.02 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1xu9 s SER 209 Cb -0.15 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.65 1xu9 s SER 209 CO -0.05 -0.24 -0.10 -0.63 0.98 0.00 0.00 173.24 173.20 1xu9 s ILE 210 N -2.06 1.15 -0.18 -1.02 1.01 -1.26 -0.30 121.20 118.54 1xu9 s ILE 210 Ca 0.53 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1xu9 s ILE 210 Cb -0.10 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1xu9 s ILE 210 CO 0.21 0.39 -0.16 -0.89 0.00 0.00 0.00 174.94 174.49 1xu9 s THR 211 N 1.54 2.49 -0.22 2.92 2.01 -0.07 -4.40 115.64 119.91 1xu9 s THR 211 Ca 0.03 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 1xu9 s THR 211 Cb -0.13 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1xu9 s THR 211 CO -0.07 0.51 0.11 -0.22 -0.69 0.00 0.00 174.62 174.26 1xu9 s LEU 212 N 1.16 3.89 -0.16 4.42 2.96 0.17 -0.53 118.68 130.58 1xu9 s LEU 212 Ca 0.01 0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1xu9 s LEU 212 Cb -0.14 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 1xu9 s LEU 212 CO -0.06 0.08 0.06 0.00 -1.32 0.00 0.00 176.35 175.10 1xu9 s VAL 214 N 0.00 2.43 -0.10 0.00 1.01 0.14 0.31 120.40 124.19 1xu9 s VAL 214 Ca 0.06 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1xu9 s VAL 214 Cb -0.12 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1xu9 s VAL 214 CO 0.01 -0.01 -0.06 -0.76 0.00 0.00 0.00 175.10 174.28 1xu9 s LEU 215 N 1.16 3.19 0.00 3.92 1.43 -1.07 -1.60 118.68 125.72 1xu9 s LEU 215 Ca -0.07 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1xu9 s LEU 215 Cb -0.19 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1xu9 s LEU 215 CO -0.04 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1xu9 n GLY 216 N 2.74 -0.02 3.67 -3.19 0.00 -0.25 -1.51 105.19 106.64 1xu9 n GLY 216 Ca -0.18 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1xu9 n GLY 216 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xu9 s LEU 217 N 0.00 4.27 -0.02 0.99 2.96 -1.26 -4.93 118.68 120.69 1xu9 s LEU 217 Ca 0.00 1.99 0.07 0.00 -0.22 0.00 0.00 54.13 55.97 1xu9 s LEU 217 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1xu9 s LEU 217 CO 0.00 -0.77 -0.24 -0.63 -1.32 0.00 0.00 176.35 173.39 1xu9 s ILE 218 N 3.10 2.20 0.00 6.68 -1.09 -1.26 -1.20 121.20 129.64 1xu9 s ILE 218 Ca 0.63 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.97 1xu9 s ILE 218 Cb -0.28 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 1xu9 s ILE 218 CO 0.23 0.57 1.80 -0.90 -1.23 0.00 0.00 174.94 175.41 1xu9 n ASP 219 N 2.37 4.86 -4.76 3.58 3.85 0.19 -4.65 116.55 122.00 1xu9 n ASP 219 Ca -0.16 -2.30 -0.34 0.00 -0.71 0.00 0.00 54.79 51.28 1xu9 n ASP 219 Cb 0.51 -1.01 0.06 0.00 -1.35 0.00 0.00 41.12 39.33 1xu9 n ASP 219 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1xu9 s THR 220 N 0.08 2.96 0.24 2.12 -4.23 -1.26 -4.82 115.64 110.73 1xu9 s THR 220 Ca 0.00 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1xu9 s THR 220 Cb 0.00 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 71.04 1xu9 s THR 220 CO 0.00 -0.26 1.79 -0.08 -0.54 0.00 0.00 174.62 175.53 1xu9 h GLU 221 N 0.02 0.67 -0.25 3.99 4.57 -1.99 -0.74 114.58 120.86 1xu9 h GLU 221 Ca -0.47 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.72 1xu9 h GLU 221 Cb 1.26 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1xu9 h GLU 221 CO 0.53 0.45 -0.06 1.15 -1.18 0.00 0.00 179.01 179.89 1xu9 h THR 222 N 0.70 0.75 -0.47 0.32 2.02 -1.95 -1.78 112.91 112.51 1xu9 h THR 222 Ca 0.38 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.50 1xu9 h THR 222 Cb 0.38 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1xu9 h THR 222 CO -0.26 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.68 1xu9 h ALA 223 N 1.24 0.62 -0.27 6.16 0.00 -1.64 -1.69 119.26 123.68 1xu9 h ALA 223 Ca 0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1xu9 h ALA 223 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xu9 h ALA 223 CO -0.25 0.37 -0.17 0.52 0.00 0.00 0.00 179.25 179.71 1xu9 h MET 224 N 0.65 0.48 -0.27 0.00 2.07 -0.99 -1.17 114.93 115.70 1xu9 h MET 224 Ca 0.14 -0.16 -0.17 0.00 -2.07 0.00 0.00 59.70 57.45 1xu9 h MET 224 Cb 0.43 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1xu9 h MET 224 CO 0.01 0.64 -0.49 0.87 1.07 0.00 0.00 176.91 179.02 1xu9 h LYS 225 N 0.44 0.75 -0.11 1.72 1.57 -1.24 -2.85 116.57 116.84 1xu9 h LYS 225 Ca 0.08 -0.44 -0.12 0.00 -1.87 0.00 0.00 60.65 58.29 1xu9 h LYS 225 Cb 0.56 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xu9 h LYS 225 CO 0.04 1.07 -0.48 0.00 -0.57 0.00 0.00 179.45 179.51 1xu9 h ALA 226 N 0.86 0.98 -0.62 3.86 0.00 -0.48 -3.08 119.26 120.78 1xu9 h ALA 226 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xu9 h ALA 226 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xu9 h ALA 226 CO 0.10 0.64 0.00 1.33 0.00 0.00 0.00 179.25 181.33 1xu9 n VAL 227 N -3.97 1.19 -1.74 0.00 0.24 -0.52 -4.68 118.33 108.85 1xu9 n VAL 227 Ca -0.02 -1.06 -0.19 0.00 -2.04 0.00 0.00 64.34 61.03 1xu9 n VAL 227 Cb 0.53 0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 33.21 1xu9 n VAL 227 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xu9 n SER 228 N 1.25 1.93 -0.00 -1.34 3.41 -1.08 -5.06 113.62 112.73 1xu9 n SER 228 Ca 0.22 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1xu9 n SER 228 Cb 0.64 -1.73 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1xu9 n SER 228 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1xu9 n MET 233 N 8.18 0.00 -2.33 4.33 0.00 -1.26 -5.13 117.12 120.91 1xu9 n MET 233 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.71 1xu9 n MET 233 Cb 0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.65 1xu9 n MET 233 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1xu9 s GLN 234 N -0.02 4.45 -0.15 3.17 1.11 -1.26 -5.02 119.66 121.93 1xu9 s GLN 234 Ca 0.00 1.92 -0.06 0.00 0.01 0.00 0.00 55.36 57.22 1xu9 s GLN 234 Cb 0.00 -3.24 -0.04 0.00 -1.01 0.00 0.00 33.01 28.72 1xu9 s GLN 234 CO 0.00 -0.17 0.06 0.00 0.01 0.00 0.00 175.29 175.19 1xu9 s ALA 235 N 0.18 3.44 0.47 6.09 0.00 -1.26 -4.79 121.76 125.89 1xu9 s ALA 235 Ca 0.55 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 1xu9 s ALA 235 Cb -0.33 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 1xu9 s ALA 235 CO 0.36 0.32 1.00 0.00 0.00 0.00 0.00 175.76 177.44 1xu9 s ALA 236 N -0.07 2.95 0.12 0.00 0.00 -0.34 -4.68 121.76 119.74 1xu9 s ALA 236 Ca 0.06 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 1xu9 s ALA 236 Cb -0.12 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 1xu9 s ALA 236 CO 0.01 -0.14 1.37 -1.25 0.00 0.00 0.00 175.76 175.75 1xu9 s PRO 237 N -3.30 4.33 0.43 0.00 0.04 -1.26 -0.63 135.00 134.61 1xu9 s PRO 237 Ca 0.64 2.05 0.13 0.00 0.04 0.00 0.00 61.00 63.86 1xu9 s PRO 237 Cb -0.13 -3.25 0.95 0.00 0.04 0.00 0.00 34.50 32.12 1xu9 s PRO 237 CO 0.18 -0.41 1.98 1.57 0.04 0.00 0.00 177.00 180.37 1xu9 h LYS 238 N 6.67 0.09 -0.25 4.56 2.10 -1.93 -1.75 116.57 126.06 1xu9 h LYS 238 Ca -0.42 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.19 1xu9 h LYS 238 Cb 1.21 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1xu9 h LYS 238 CO 0.85 0.23 0.07 1.49 -2.00 0.00 0.00 179.45 180.09 1xu9 h GLU 239 N 0.08 0.39 -0.48 0.07 4.81 -1.95 -1.48 114.58 116.02 1xu9 h GLU 239 Ca 0.02 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1xu9 h GLU 239 Cb 0.30 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1xu9 h GLU 239 CO 0.02 0.48 -0.03 1.49 -0.73 0.00 0.00 179.01 180.23 1xu9 h GLU 240 N 0.23 0.87 -0.19 1.92 4.81 -1.91 -2.54 114.58 117.78 1xu9 h GLU 240 Ca 0.08 -0.30 0.05 0.00 -0.13 0.00 0.00 59.36 59.06 1xu9 h GLU 240 Cb 0.26 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 1xu9 h GLU 240 CO -0.00 0.93 -0.12 0.00 -0.73 0.00 0.00 179.01 179.09 1xu9 h ALA 242 N 1.03 0.89 -0.54 0.00 0.00 -1.20 -1.88 119.26 117.56 1xu9 h ALA 242 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xu9 h ALA 242 Cb 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xu9 h ALA 242 CO -0.26 -0.03 0.14 1.25 0.00 0.00 0.00 179.25 180.35 1xu9 h LEU 243 N 0.60 0.81 -1.35 0.00 5.85 -1.01 -2.42 115.31 117.79 1xu9 h LEU 243 Ca 0.31 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1xu9 h LEU 243 Cb 0.28 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1xu9 h LEU 243 CO -0.23 0.83 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.19 1xu9 h GLU 244 N 0.75 0.22 -0.18 1.25 4.39 -0.84 -0.52 114.58 119.66 1xu9 h GLU 244 Ca 0.17 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1xu9 h GLU 244 Cb 0.33 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1xu9 h GLU 244 CO 0.00 0.40 0.05 0.82 -1.16 0.00 0.00 179.01 179.12 1xu9 h ILE 245 N 0.21 1.20 -0.56 3.13 2.04 -1.12 -1.94 117.51 120.46 1xu9 h ILE 245 Ca 0.04 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.25 1xu9 h ILE 245 Cb 0.44 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1xu9 h ILE 245 CO 0.03 0.19 0.22 0.40 0.00 0.00 0.00 178.15 178.99 1xu9 h ILE 246 N 0.10 1.22 -0.36 -0.67 2.04 -1.02 -1.86 117.51 116.97 1xu9 h ILE 246 Ca 0.06 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.23 1xu9 h ILE 246 Cb 0.25 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1xu9 h ILE 246 CO -0.00 0.27 0.19 0.11 0.00 0.00 0.00 178.15 178.72 1xu9 h LYS 247 N 0.77 0.39 -0.59 2.37 1.57 -1.05 0.15 116.57 120.17 1xu9 h LYS 247 Ca 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1xu9 h LYS 247 Cb 0.21 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1xu9 h LYS 247 CO -0.01 0.26 0.34 0.78 -0.57 0.00 0.00 179.45 180.24 1xu9 h GLY 248 N 0.40 0.87 0.91 3.86 0.00 -1.11 -0.61 103.07 107.40 1xu9 h GLY 248 Ca 0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1xu9 h GLY 248 CO -0.08 0.36 0.11 -1.33 0.00 0.00 0.00 176.54 175.60 1xu9 h GLY 249 N 0.80 0.48 1.23 4.60 0.00 -1.09 -1.46 103.07 107.63 1xu9 h GLY 249 Ca 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1xu9 h GLY 249 CO -0.04 0.25 0.37 0.00 0.00 0.00 0.00 176.54 177.12 1xu9 h ALA 250 N 0.95 1.31 -0.06 3.60 0.00 -0.72 -1.49 119.26 122.85 1xu9 h ALA 250 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xu9 h ALA 250 Cb 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xu9 h ALA 250 CO -0.01 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.08 1xu9 n LEU 251 N -4.35 0.89 -2.77 0.00 4.77 -0.26 -4.91 117.00 110.38 1xu9 n LEU 251 Ca 0.07 -0.34 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 1xu9 n LEU 251 Cb 0.11 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1xu9 n LEU 251 CO 0.38 0.17 -0.11 0.54 -1.33 0.00 0.00 177.39 177.04 1xu9 n ARG 252 N -0.25 -3.50 -2.22 3.23 1.74 -0.56 -0.88 116.66 114.22 1xu9 n ARG 252 Ca 0.18 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.82 1xu9 n ARG 252 Cb 0.23 -5.71 -0.00 0.00 -1.02 0.00 0.00 32.46 25.96 1xu9 n ARG 252 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1xu9 s GLN 253 N -5.43 3.57 0.11 5.56 -0.21 -0.68 -3.95 119.66 118.63 1xu9 s GLN 253 Ca 0.18 1.76 -0.14 0.00 0.02 0.00 0.00 55.36 57.17 1xu9 s GLN 253 Cb -0.08 -2.26 -0.07 0.00 1.00 0.00 0.00 33.01 31.59 1xu9 s GLN 253 CO 0.22 -0.70 1.44 0.93 -2.12 0.00 0.00 175.29 175.05 1xu9 h GLU 254 N 1.72 0.75 -3.75 2.91 5.08 -1.88 -3.35 114.58 116.05 1xu9 h GLU 254 Ca -0.50 -0.39 -0.20 0.00 -1.00 0.00 0.00 59.36 57.28 1xu9 h GLU 254 Cb 1.26 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.26 1xu9 h GLU 254 CO 0.59 1.01 -0.68 -1.21 -1.00 0.00 0.00 179.01 177.72 1xu9 s GLU 255 N -4.40 0.14 -0.10 2.33 2.02 -1.26 -0.66 118.70 116.78 1xu9 s GLU 255 Ca -0.12 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1xu9 s GLU 255 Cb 0.09 0.06 -0.01 0.00 0.10 0.00 0.00 34.13 34.37 1xu9 s GLU 255 CO 0.84 -0.02 -0.19 0.08 0.02 0.00 0.00 175.26 175.98 1xu9 s VAL 256 N -0.52 2.55 -0.14 2.63 1.01 -0.46 -4.93 120.40 120.54 1xu9 s VAL 256 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1xu9 s VAL 256 Cb -0.04 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1xu9 s VAL 256 CO -0.00 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.17 1xu9 s TYR 257 N 0.21 2.75 -0.03 5.22 1.51 -1.26 0.23 117.35 125.99 1xu9 s TYR 257 Ca -0.12 -0.99 -0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1xu9 s TYR 257 Cb -0.16 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1xu9 s TYR 257 CO 0.06 -0.43 0.02 -0.47 -1.11 0.00 0.00 175.55 173.63 1xu9 s TYR 258 N 0.68 0.16 0.13 2.71 6.14 -0.62 -4.95 117.35 121.60 1xu9 s TYR 258 Ca -0.08 0.10 -0.24 0.00 0.64 0.00 0.00 57.07 57.48 1xu9 s TYR 258 Cb -0.16 -0.37 0.07 0.00 0.42 0.00 0.00 41.96 41.92 1xu9 s TYR 258 CO 0.02 -0.13 0.73 0.34 0.64 0.00 0.00 175.55 177.15 1xu9 s ASP 259 N 1.32 -0.43 0.55 4.32 -1.08 -1.26 -1.09 116.67 119.00 1xu9 s ASP 259 Ca -0.06 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.08 1xu9 s ASP 259 Cb -0.13 0.55 1.57 0.00 -1.46 0.00 0.00 42.92 43.45 1xu9 s ASP 259 CO -0.03 -0.92 2.19 0.28 0.52 0.00 0.00 175.17 177.21 1xu9 h SER 260 N 2.00 0.00 -4.16 -0.34 0.02 -1.86 -3.43 113.55 105.77 1xu9 h SER 260 Ca -0.27 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.99 1xu9 h SER 260 Cb 1.27 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.50 1xu9 h SER 260 CO 0.32 0.03 -0.88 -0.55 -1.14 0.00 0.00 176.83 174.61 1xu9 s SER 261 N -6.47 3.01 0.52 3.07 0.15 -1.26 -5.00 113.70 107.71 1xu9 s SER 261 Ca -0.05 -0.49 0.28 0.00 0.70 0.00 0.00 55.95 56.39 1xu9 s SER 261 Cb 0.15 -0.70 1.41 0.00 -1.71 0.00 0.00 66.02 65.17 1xu9 s SER 261 CO 0.60 0.26 2.04 -0.07 1.20 0.00 0.00 173.24 177.26 1xu9 h LEU 262 N 5.92 0.00 -0.85 3.45 3.38 -1.99 -2.34 115.31 122.87 1xu9 h LEU 262 Ca -0.35 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xu9 h LEU 262 Cb 1.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1xu9 h LEU 262 CO 0.47 0.12 0.56 -0.50 0.09 0.00 0.00 178.44 179.18 1xu9 h TRP 263 N 0.00 1.05 0.38 1.13 4.06 -1.98 -1.31 115.95 119.28 1xu9 h TRP 263 Ca -0.00 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1xu9 h TRP 263 Cb 0.40 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1xu9 h TRP 263 CO 0.00 0.63 -0.18 1.15 -3.56 0.00 0.00 178.44 176.47 1xu9 h THR 264 N 1.11 0.49 -0.04 1.49 2.02 -1.85 -2.58 112.91 113.55 1xu9 h THR 264 Ca 0.33 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1xu9 h THR 264 Cb -0.06 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1xu9 h THR 264 CO -0.09 0.09 -0.37 0.71 0.37 0.00 0.00 175.52 176.23 1xu9 h THR 265 N -0.92 1.28 0.19 3.16 1.35 -1.45 -1.99 112.91 114.53 1xu9 h THR 265 Ca -0.05 -1.33 -0.31 0.00 -0.55 0.00 0.00 66.41 64.17 1xu9 h THR 265 Cb 0.54 1.66 0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1xu9 h THR 265 CO 0.09 0.39 -1.42 -0.07 -0.25 0.00 0.00 175.52 174.25 1xu9 h LEU 266 N 0.07 0.64 0.00 3.87 3.38 -1.35 -3.36 115.31 118.56 1xu9 h LEU 266 Ca 0.01 -0.71 -0.12 0.00 0.09 0.00 0.00 57.88 57.14 1xu9 h LEU 266 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1xu9 h LEU 266 CO 0.05 1.57 -0.74 -0.07 0.09 0.00 0.00 178.44 179.33 1xu9 h LEU 267 N 0.11 0.00 -0.82 1.67 3.38 -1.37 -3.29 115.31 114.99 1xu9 h LEU 267 Ca -0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1xu9 h LEU 267 Cb 2.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 1xu9 h LEU 267 CO 0.23 0.54 -0.23 -0.29 0.09 0.00 0.00 178.44 178.79 1xu9 h ILE 268 N 0.00 0.49 -3.97 1.22 6.09 -1.53 -3.44 117.51 116.37 1xu9 h ILE 268 Ca -0.04 -1.24 -0.52 0.00 -1.37 0.00 0.00 64.86 61.68 1xu9 h ILE 268 Cb 1.45 1.88 0.08 0.00 0.47 0.00 0.00 36.82 40.71 1xu9 h ILE 268 CO 0.06 0.22 0.59 0.00 -3.07 0.00 0.00 178.15 175.95 1xu9 s ARG 269 N -3.48 3.83 -0.58 2.19 1.70 -1.24 -4.98 118.95 116.39 1xu9 s ARG 269 Ca 0.02 2.09 0.06 0.00 -0.47 0.00 0.00 55.73 57.43 1xu9 s ARG 269 Cb 0.09 -2.63 0.22 0.00 -0.57 0.00 0.00 34.95 32.06 1xu9 s ARG 269 CO 0.65 -0.59 0.58 -1.71 -1.08 0.00 0.00 175.30 173.15 1xu9 n ASN 270 N -0.13 2.29 0.26 -2.89 4.05 -1.26 -4.95 115.26 112.64 1xu9 n ASN 270 Ca 0.05 -3.09 0.11 0.00 0.45 0.00 0.00 54.58 52.10 1xu9 n ASN 270 Cb 0.45 -0.67 0.71 0.00 1.23 0.00 0.00 39.78 41.50 1xu9 n ASN 270 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1xu9 h PRO 271 N 4.69 0.00 -0.45 1.20 0.13 -1.98 -2.45 132.00 133.14 1xu9 h PRO 271 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1xu9 h PRO 271 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1xu9 h PRO 271 CO 0.67 0.10 0.17 0.77 -0.23 0.00 0.00 178.00 179.48 1xu9 h SER 272 N 0.00 0.59 -0.30 1.44 0.02 -1.99 -1.67 113.55 111.64 1xu9 h SER 272 Ca -0.00 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1xu9 h SER 272 Cb 0.24 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1xu9 h SER 272 CO 0.01 0.55 0.14 -0.09 -1.14 0.00 0.00 176.83 176.30 1xu9 h ARG 273 N 0.65 0.28 -0.53 3.45 2.43 -1.87 -0.47 114.38 118.32 1xu9 h ARG 273 Ca 0.16 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1xu9 h ARG 273 Cb 0.15 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1xu9 h ARG 273 CO -0.01 0.19 0.14 0.87 -1.51 0.00 0.00 179.97 179.64 1xu9 h LYS 274 N 0.29 0.80 -0.15 0.20 1.57 -1.48 -0.34 116.57 117.46 1xu9 h LYS 274 Ca 0.13 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1xu9 h LYS 274 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1xu9 h LYS 274 CO -0.10 0.71 -0.02 0.82 -0.57 0.00 0.00 179.45 180.29 1xu9 h ILE 275 N 0.77 1.28 -0.69 1.86 2.04 -1.04 -1.98 117.51 119.75 1xu9 h ILE 275 Ca 0.17 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 1xu9 h ILE 275 Cb 0.27 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1xu9 h ILE 275 CO -0.00 0.28 0.19 -0.07 0.00 0.00 0.00 178.15 178.54 1xu9 h LEU 276 N 0.00 1.02 -0.71 1.44 3.38 -0.79 0.23 115.31 119.90 1xu9 h LEU 276 Ca 0.04 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1xu9 h LEU 276 Cb 0.43 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1xu9 h LEU 276 CO 0.01 0.98 0.42 -0.33 0.09 0.00 0.00 178.44 179.60 1xu9 h GLU 277 N 1.02 0.75 -0.27 1.13 5.08 -0.98 0.17 114.58 121.49 1xu9 h GLU 277 Ca 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1xu9 h GLU 277 Cb 0.33 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xu9 h GLU 277 CO -0.00 0.50 0.04 0.35 -1.00 0.00 0.00 179.01 178.90 1xu9 h PHE 278 N 0.77 0.47 -0.62 4.33 3.57 -0.82 -2.60 116.94 122.04 1xu9 h PHE 278 Ca 0.31 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 1xu9 h PHE 278 Cb 0.15 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1xu9 h PHE 278 CO -0.06 0.55 0.23 -0.07 -2.23 0.00 0.00 178.31 176.73 1xu9 h LEU 279 N 0.25 0.85 -0.75 0.59 3.38 -0.59 -2.43 115.31 116.61 1xu9 h LEU 279 Ca 0.08 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xu9 h LEU 279 Cb 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xu9 h LEU 279 CO 0.01 0.78 0.00 1.88 0.09 0.00 0.00 178.44 181.19 1xu9 h TYR 280 N 0.91 0.00 0.00 1.13 0.99 -0.91 -3.51 116.97 115.58 1xu9 h TYR 280 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1xu9 h TYR 280 Cb 0.21 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.94 1xu9 h TYR 280 CO 0.02 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.05