#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhx s ARG 6 N 0.00 4.39 0.88 -0.52 0.52 -1.26 -5.00 118.95 117.96 1xhx s ARG 6 Ca 0.00 1.81 -0.13 0.00 -0.52 0.00 0.00 55.73 56.89 1xhx s ARG 6 Cb 0.00 -2.95 0.13 0.00 0.52 0.00 0.00 34.95 32.65 1xhx s ARG 6 CO 0.00 -0.02 1.18 0.15 0.02 0.00 0.00 175.30 176.63 1xhx s LYS 7 N -1.86 1.35 -0.02 3.54 1.02 -1.26 -4.88 119.74 117.63 1xhx s LYS 7 Ca 0.50 0.10 0.00 0.00 0.02 0.00 0.00 55.97 56.59 1xhx s LYS 7 Cb -0.31 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1xhx s LYS 7 CO 0.40 -2.02 0.01 -1.64 -0.92 0.00 0.00 175.35 171.18 1xhx s MET 8 N -5.50 0.07 0.11 1.68 -1.94 -1.26 -1.56 119.30 110.90 1xhx s MET 8 Ca 0.65 0.11 0.06 0.00 -1.71 0.00 0.00 55.69 54.80 1xhx s MET 8 Cb -0.11 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.43 1xhx s MET 8 CO 0.51 -0.12 -0.15 0.71 -0.01 0.00 0.00 175.02 175.97 1xhx s TYR 9 N 0.81 1.40 -0.23 -0.03 1.51 -0.30 -0.54 117.35 119.97 1xhx s TYR 9 Ca -0.07 -0.52 -0.09 0.00 -1.01 0.00 0.00 57.07 55.39 1xhx s TYR 9 Cb -0.10 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1xhx s TYR 9 CO -0.02 0.13 0.10 0.45 -1.11 0.00 0.00 175.55 175.11 1xhx s SER 10 N -2.22 5.61 0.29 2.29 0.15 0.11 -1.18 113.70 118.74 1xhx s SER 10 Ca 0.06 -0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1xhx s SER 10 Cb -0.07 -2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 62.19 1xhx s SER 10 CO 0.03 0.05 -0.10 0.00 1.20 0.00 0.00 173.24 174.42 1xhx s ALA 12 N -2.84 -1.61 0.22 0.00 0.00 -0.67 -4.19 121.76 112.66 1xhx s ALA 12 Ca 0.29 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.17 1xhx s ALA 12 Cb 0.02 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 1xhx s ALA 12 CO 0.13 -0.55 -0.08 -0.06 0.00 0.00 0.00 175.76 175.19 1xhx s PHE 13 N -2.41 1.64 -0.23 0.00 2.99 -1.26 -2.23 117.98 116.47 1xhx s PHE 13 Ca -0.05 -0.72 -0.03 0.00 0.00 0.00 0.00 56.93 56.13 1xhx s PHE 13 Cb -0.01 -0.86 0.07 0.00 0.00 0.00 0.00 43.02 42.23 1xhx s PHE 13 CO -0.01 0.19 0.07 -2.00 -0.00 0.00 0.00 175.22 173.47 1xhx s GLU 14 N -3.73 0.53 0.32 0.44 2.56 -0.26 -4.96 118.70 113.61 1xhx s GLU 14 Ca 0.24 -0.54 0.04 0.00 0.00 0.00 0.00 54.97 54.71 1xhx s GLU 14 Cb 0.02 -1.91 -0.02 0.00 2.00 0.00 0.00 34.13 34.22 1xhx s GLU 14 CO 0.07 -0.77 0.48 0.99 -0.56 0.00 0.00 175.26 175.47 1xhx s THR 15 N 1.87 4.66 0.30 -1.70 2.01 -1.26 -0.12 115.64 121.42 1xhx s THR 15 Ca 0.03 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 1xhx s THR 15 Cb -0.17 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 1xhx s THR 15 CO -0.16 -0.33 0.70 0.42 -0.69 0.00 0.00 174.62 174.56 1xhx s THR 16 N -2.20 4.74 -0.68 -0.82 -4.23 -1.10 -4.88 115.64 106.47 1xhx s THR 16 Ca 0.41 0.83 0.24 0.00 -1.18 0.00 0.00 61.69 61.99 1xhx s THR 16 Cb -0.09 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1xhx s THR 16 CO 0.33 -0.17 1.22 0.35 -0.54 0.00 0.00 174.62 175.80 1xhx n THR 17 N -0.34 0.23 -1.82 3.99 -2.24 -1.26 -4.71 114.28 108.12 1xhx n THR 17 Ca 0.03 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1xhx n THR 17 Cb 0.53 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1xhx n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xhx s LYS 18 N -3.15 4.16 0.50 -0.78 -0.14 -1.26 -4.82 119.74 114.25 1xhx s LYS 18 Ca 0.06 2.50 0.26 0.00 -1.36 0.00 0.00 55.97 57.42 1xhx s LYS 18 Cb 0.14 -3.21 1.29 0.00 -1.68 0.00 0.00 37.83 34.38 1xhx s LYS 18 CO 0.75 -0.71 2.00 0.28 -0.76 0.00 0.00 175.35 176.91 1xhx h VAL 19 N 4.07 0.60 0.00 3.17 2.07 -2.00 -3.25 116.25 120.91 1xhx h VAL 19 Ca -0.43 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.19 1xhx h VAL 19 Cb 1.20 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1xhx h VAL 19 CO 0.94 0.15 -1.23 -0.62 0.02 0.00 0.00 177.57 176.84 1xhx n GLU 20 N -3.61 0.54 -2.96 1.57 1.02 -1.26 -4.63 120.64 111.31 1xhx n GLU 20 Ca -0.01 0.51 -0.44 0.00 -0.02 0.00 0.00 57.16 57.19 1xhx n GLU 20 Cb 0.29 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 1xhx n GLU 20 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xhx n ASP 21 N -4.46 5.37 -4.46 1.62 -0.08 -1.23 -4.91 116.55 108.41 1xhx n ASP 21 Ca -0.28 -3.04 -0.42 0.00 -1.51 0.00 0.00 54.79 49.54 1xhx n ASP 21 Cb 0.59 -1.49 -0.10 0.00 2.34 0.00 0.00 41.12 42.46 1xhx n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhx s ARG 23 N 1.66 1.07 0.04 0.00 1.70 -1.26 -4.49 118.95 117.66 1xhx s ARG 23 Ca 0.05 -0.39 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 1xhx s ARG 23 Cb -0.19 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 1xhx s ARG 23 CO 0.09 -0.47 1.27 0.08 -1.08 0.00 0.00 175.30 175.19 1xhx s VAL 24 N -3.47 3.90 -1.18 4.99 1.01 -1.26 -2.69 120.40 121.70 1xhx s VAL 24 Ca 0.03 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.43 1xhx s VAL 24 Cb -0.01 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.63 1xhx s VAL 24 CO -0.11 0.06 0.89 -2.67 0.00 0.00 0.00 175.10 173.27 1xhx n TRP 25 N 4.46 0.07 -3.62 5.22 4.27 0.83 -4.64 117.44 124.04 1xhx n TRP 25 Ca 0.11 -0.09 -0.09 0.00 -3.89 0.00 0.00 57.50 53.54 1xhx n TRP 25 Cb 0.45 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.33 1xhx n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xhx s ALA 26 N -0.86 -1.98 0.19 -1.67 0.00 -1.18 -4.70 121.76 111.56 1xhx s ALA 26 Ca 0.13 1.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.83 1xhx s ALA 26 Cb 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 1xhx s ALA 26 CO 0.13 -0.25 0.17 1.52 0.00 0.00 0.00 175.76 177.33 1xhx s TYR 27 N -0.24 0.93 -0.26 0.00 -0.85 -1.01 -1.10 117.35 114.83 1xhx s TYR 27 Ca 0.02 -1.21 -0.26 0.00 -0.52 0.00 0.00 57.07 55.09 1xhx s TYR 27 Cb -0.03 -0.40 0.13 0.00 0.38 0.00 0.00 41.96 42.04 1xhx s TYR 27 CO -0.04 -0.67 1.09 0.20 -1.52 0.00 0.00 175.55 174.61 1xhx s GLY 28 N -3.10 -0.10 0.00 5.49 0.00 -0.95 -1.96 107.32 106.70 1xhx s GLY 28 Ca 0.32 2.64 -0.03 0.00 0.00 0.00 0.00 44.72 47.65 1xhx s GLY 28 CO 0.08 1.63 0.05 -2.52 0.00 0.00 0.00 173.10 172.35 1xhx s TYR 29 N -0.15 0.10 -0.02 1.90 -0.85 -0.69 -1.67 117.35 115.97 1xhx s TYR 29 Ca 0.03 -0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1xhx s TYR 29 Cb -0.04 -0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.23 1xhx s TYR 29 CO -0.06 -0.18 0.05 1.41 -1.52 0.00 0.00 175.55 175.26 1xhx s MET 30 N -1.03 0.04 -0.10 -3.49 1.75 -0.08 -1.90 119.30 114.49 1xhx s MET 30 Ca -0.11 0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.17 1xhx s MET 30 Cb -0.07 -0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.50 1xhx s MET 30 CO 0.00 -0.07 1.46 1.21 -0.65 0.00 0.00 175.02 176.97 1xhx s ASN 31 N 0.43 6.81 0.44 1.11 3.04 -0.45 0.09 114.94 126.41 1xhx s ASN 31 Ca -0.03 1.99 0.11 0.00 0.04 0.00 0.00 52.86 54.96 1xhx s ASN 31 Cb -0.05 -2.54 0.97 0.00 -1.54 0.00 0.00 41.25 38.09 1xhx s ASN 31 CO -0.01 -0.83 2.05 0.40 -3.04 0.00 0.00 177.10 175.66 1xhx h ILE 32 N 5.48 1.09 -0.19 -5.21 2.04 -1.16 -2.20 117.51 117.37 1xhx h ILE 32 Ca -0.34 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1xhx h ILE 32 Cb 1.15 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1xhx h ILE 32 CO 0.96 0.11 0.00 -0.62 0.00 0.00 0.00 178.15 178.60 1xhx n GLU 33 N -4.44 2.15 -3.02 2.37 1.02 -1.26 -4.65 120.64 112.81 1xhx n GLU 33 Ca 0.00 -1.72 -0.00 0.00 -0.02 0.00 0.00 57.16 55.42 1xhx n GLU 33 Cb 0.13 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1xhx n GLU 33 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xhx s ASP 34 N -1.72 -1.34 0.00 1.62 -1.08 -0.84 -5.02 116.67 108.29 1xhx s ASP 34 Ca 0.34 -0.95 0.08 0.00 -0.52 0.00 0.00 52.55 51.50 1xhx s ASP 34 Cb 0.21 1.72 0.35 0.00 -1.46 0.00 0.00 42.92 43.74 1xhx s ASP 34 CO 0.30 -0.12 1.20 1.41 0.52 0.00 0.00 175.17 178.49 1xhx n HIS 35 N 3.88 0.00 0.22 -5.34 8.25 -1.11 -1.15 115.22 119.97 1xhx n HIS 35 Ca 0.12 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 1xhx n HIS 35 Cb 0.58 -0.42 0.30 0.00 1.12 0.00 0.00 29.99 31.57 1xhx n HIS 35 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1xhx h SER 36 N 0.00 0.00 -2.78 0.41 4.64 -1.95 -3.39 113.55 110.47 1xhx h SER 36 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1xhx h SER 36 Cb 0.11 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.03 1xhx h SER 36 CO 0.00 0.12 0.34 -0.70 -0.87 0.00 0.00 176.83 175.72 1xhx s GLU 37 N -3.33 3.08 0.11 4.77 2.12 -0.30 -4.99 118.70 120.16 1xhx s GLU 37 Ca 0.04 -1.05 -0.19 0.00 0.36 0.00 0.00 54.97 54.14 1xhx s GLU 37 Cb 0.07 -4.24 0.04 0.00 0.26 0.00 0.00 34.13 30.26 1xhx s GLU 37 CO 0.65 -1.68 0.46 1.52 -0.54 0.00 0.00 175.26 175.66 1xhx s TYR 38 N 3.43 -0.31 -0.14 5.30 -0.85 -1.26 -1.35 117.35 122.17 1xhx s TYR 38 Ca 0.17 0.11 -0.12 0.00 -0.52 0.00 0.00 57.07 56.71 1xhx s TYR 38 Cb -0.20 0.32 0.04 0.00 0.38 0.00 0.00 41.96 42.49 1xhx s TYR 38 CO 0.09 -0.70 0.37 0.21 -1.52 0.00 0.00 175.55 174.00 1xhx s LYS 39 N -3.37 0.42 -0.22 -3.49 2.47 -0.80 -5.01 119.74 109.75 1xhx s LYS 39 Ca 0.00 0.53 0.01 0.00 -1.56 0.00 0.00 55.97 54.95 1xhx s LYS 39 Cb 0.01 0.19 0.05 0.00 -1.46 0.00 0.00 37.83 36.62 1xhx s LYS 39 CO -0.09 -0.06 -0.06 0.42 0.16 0.00 0.00 175.35 175.71 1xhx s ILE 40 N 0.31 1.51 0.00 5.43 1.01 -1.26 -1.70 121.20 126.49 1xhx s ILE 40 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.53 1xhx s ILE 40 Cb -0.03 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.71 1xhx s ILE 40 CO -0.01 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1xhx n GLY 41 N 4.70 5.07 1.49 6.18 0.00 -0.83 -4.94 105.19 116.86 1xhx n GLY 41 Ca -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 46.02 43.87 1xhx n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhx n ASN 42 N 0.00 -0.33 -3.57 1.61 6.94 -1.26 -2.40 115.26 116.25 1xhx n ASN 42 Ca 0.00 -2.03 -0.11 0.00 -0.02 0.00 0.00 54.58 52.42 1xhx n ASN 42 Cb 0.00 0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.44 1xhx n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xhx s SER 43 N -1.49 0.19 0.35 0.53 0.15 -1.26 -4.67 113.70 107.49 1xhx s SER 43 Ca 0.13 0.59 0.03 0.00 0.70 0.00 0.00 55.95 57.39 1xhx s SER 43 Cb 0.19 1.01 0.64 0.00 -1.71 0.00 0.00 66.02 66.16 1xhx s SER 43 CO -0.07 -0.26 1.99 0.25 1.20 0.00 0.00 173.24 176.36 1xhx h LEU 44 N 8.22 0.74 -0.69 3.45 5.85 -1.97 -0.88 115.31 130.03 1xhx h LEU 44 Ca -0.16 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1xhx h LEU 44 Cb 1.12 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1xhx h LEU 44 CO 0.17 0.52 0.29 0.44 -0.34 0.00 0.00 178.44 179.52 1xhx h ASP 45 N 0.86 0.95 -0.78 1.25 3.32 -1.98 0.52 116.42 120.56 1xhx h ASP 45 Ca 0.26 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 1xhx h ASP 45 Cb -0.01 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.26 1xhx h ASP 45 CO -0.07 0.85 0.30 -0.08 -1.72 0.00 0.00 179.24 178.53 1xhx h GLU 46 N 0.98 1.18 0.02 3.56 4.81 -1.65 -1.23 114.58 122.26 1xhx h GLU 46 Ca 0.23 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xhx h GLU 46 Cb 0.19 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xhx h GLU 46 CO -0.02 0.96 -0.01 0.35 -0.73 0.00 0.00 179.01 179.56 1xhx h PHE 47 N 1.14 -0.03 -0.06 0.92 3.57 -0.49 -2.97 116.94 119.03 1xhx h PHE 47 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1xhx h PHE 47 Cb 0.23 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1xhx h PHE 47 CO 0.02 0.39 0.03 0.52 -2.23 0.00 0.00 178.31 177.04 1xhx h MET 48 N -0.47 0.08 -0.68 1.11 2.86 0.10 0.49 114.93 118.43 1xhx h MET 48 Ca -0.00 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1xhx h MET 48 Cb 0.44 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1xhx h MET 48 CO 0.01 0.07 0.14 0.00 1.06 0.00 0.00 176.91 178.19 1xhx h ALA 49 N 1.95 0.97 -0.15 6.32 0.00 -1.18 -1.97 119.26 125.20 1xhx h ALA 49 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1xhx h ALA 49 Cb 0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1xhx h ALA 49 CO -0.00 0.66 -0.06 2.35 0.00 0.00 0.00 179.25 182.20 1xhx h TRP 50 N 1.03 0.35 -0.89 0.00 7.01 -0.94 -3.10 115.95 119.41 1xhx h TRP 50 Ca 0.21 -0.08 0.15 0.00 2.11 0.00 0.00 58.89 61.28 1xhx h TRP 50 Cb 0.39 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.30 1xhx h TRP 50 CO 0.03 0.61 0.58 0.28 -2.79 0.00 0.00 178.44 177.15 1xhx h VAL 51 N -0.01 0.81 0.00 2.65 2.07 -0.71 -1.38 116.25 119.69 1xhx h VAL 51 Ca 0.04 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1xhx h VAL 51 Cb 0.51 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1xhx h VAL 51 CO 0.02 0.12 -0.34 -0.07 0.02 0.00 0.00 177.57 177.32 1xhx h LEU 52 N 0.66 0.00 0.04 2.57 3.38 -1.29 -3.34 115.31 117.33 1xhx h LEU 52 Ca 0.45 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.07 1xhx h LEU 52 Cb 0.78 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 1xhx h LEU 52 CO -0.21 0.34 -2.11 0.29 0.09 0.00 0.00 178.44 176.85 1xhx n LYS 53 N -3.53 0.69 0.20 1.13 5.02 -0.59 -4.55 118.16 116.52 1xhx n LYS 53 Ca -0.00 0.20 0.14 0.00 -2.02 0.00 0.00 58.31 56.63 1xhx n LYS 53 Cb 0.48 -1.65 0.75 0.00 -0.02 0.00 0.00 35.03 34.59 1xhx n LYS 53 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1xhx h VAL 54 N 0.02 0.71 -6.43 -0.18 -1.51 -1.50 -3.46 116.25 103.91 1xhx h VAL 54 Ca -0.45 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.54 1xhx h VAL 54 Cb 2.04 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 32.07 1xhx h VAL 54 CO 0.03 0.00 -0.88 0.00 -1.23 0.00 0.00 177.57 175.50 1xhx n GLN 55 N -4.18 -3.50 -2.60 5.19 6.02 -1.26 -4.89 117.38 112.17 1xhx n GLN 55 Ca 0.01 0.44 -0.06 0.00 -0.01 0.00 0.00 57.00 57.38 1xhx n GLN 55 Cb 0.26 -4.62 -0.02 0.00 1.02 0.00 0.00 30.24 26.89 1xhx n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xhx n ALA 56 N -4.38 0.16 -3.02 -1.58 0.00 -1.26 -4.58 120.51 105.86 1xhx n ALA 56 Ca -0.31 -0.52 -0.35 0.00 0.00 0.00 0.00 53.44 52.26 1xhx n ALA 56 Cb 0.68 0.37 -0.12 0.00 0.00 0.00 0.00 19.45 20.38 1xhx n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xhx s ASP 57 N -1.63 5.07 0.13 0.00 1.01 -0.60 -2.17 116.67 118.49 1xhx s ASP 57 Ca 0.07 -0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.24 1xhx s ASP 57 Cb 0.00 -1.88 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1xhx s ASP 57 CO 0.05 0.06 0.02 -0.76 0.21 0.00 0.00 175.17 174.75 1xhx s LEU 58 N 1.03 3.46 -0.07 1.23 1.43 -0.08 -1.15 118.68 124.52 1xhx s LEU 58 Ca 0.03 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1xhx s LEU 58 Cb -0.14 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1xhx s LEU 58 CO 0.02 0.13 -0.02 -0.31 0.23 0.00 0.00 176.35 176.40 1xhx s TYR 59 N -1.53 0.84 -0.05 0.29 1.51 -0.33 0.56 117.35 118.64 1xhx s TYR 59 Ca 0.27 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1xhx s TYR 59 Cb -0.11 -0.86 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1xhx s TYR 59 CO 0.19 -0.34 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.14 1xhx s PHE 60 N 1.72 2.85 -0.76 2.71 0.40 -0.76 -0.13 117.98 124.02 1xhx s PHE 60 Ca 0.02 -0.05 -0.22 0.00 -0.60 0.00 0.00 56.93 56.08 1xhx s PHE 60 Cb -0.13 -1.66 0.08 0.00 0.51 0.00 0.00 43.02 41.82 1xhx s PHE 60 CO -0.05 0.30 1.07 -1.58 0.70 0.00 0.00 175.22 175.66 1xhx s HIS 61 N -0.83 2.73 0.00 0.36 2.46 -1.26 -0.94 115.29 117.81 1xhx s HIS 61 Ca 0.13 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.94 1xhx s HIS 61 Cb -0.11 -4.35 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 1xhx s HIS 61 CO 0.02 -1.67 0.00 -1.71 -2.47 0.00 0.00 174.74 168.91 1xhx n ASN 62 N 7.69 -0.02 -0.38 9.88 2.85 -1.26 -4.90 115.26 129.12 1xhx n ASN 62 Ca 0.06 0.00 0.30 0.00 -0.11 0.00 0.00 54.58 54.83 1xhx n ASN 62 Cb 0.47 -0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.08 1xhx n ASN 62 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1xhx h LEU 63 N 0.00 0.31 -1.39 1.20 5.85 -1.87 0.53 115.31 119.93 1xhx h LEU 63 Ca 0.00 0.09 0.29 0.00 0.84 0.00 0.00 57.88 59.10 1xhx h LEU 63 Cb 0.01 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 40.99 1xhx h LEU 63 CO 0.00 -0.02 0.69 0.50 -0.34 0.00 0.00 178.44 179.27 1xhx h LYS 64 N 0.22 0.33 0.00 1.25 3.64 -1.93 1.83 116.57 121.91 1xhx h LYS 64 Ca 0.68 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.04 1xhx h LYS 64 Cb 2.04 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1xhx h LYS 64 CO -0.30 0.22 -0.05 0.35 -2.27 0.00 0.00 179.45 177.40 1xhx h PHE 65 N 0.34 0.00 -0.25 1.91 3.57 -1.28 -3.35 116.94 117.88 1xhx h PHE 65 Ca 0.62 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 62.09 1xhx h PHE 65 Cb 1.65 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1xhx h PHE 65 CO -0.00 0.00 0.05 0.00 -2.23 0.00 0.00 178.31 176.13 1xhx h ALA 66 N -1.44 1.63 0.00 2.41 0.00 -1.52 -2.04 119.26 118.30 1xhx h ALA 66 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xhx h ALA 66 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xhx h ALA 66 CO 0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1xhx n GLY 67 N -1.19 -0.87 0.15 0.00 0.00 0.62 -2.55 105.19 101.35 1xhx n GLY 67 Ca 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1xhx n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhx h ALA 68 N 2.10 -0.32 -0.45 4.61 0.00 -1.50 -2.97 119.26 120.74 1xhx h ALA 68 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1xhx h ALA 68 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xhx h ALA 68 CO 0.00 -0.29 0.44 0.74 0.00 0.00 0.00 179.25 180.13 1xhx h PHE 69 N -0.99 0.00 -0.05 0.00 -1.00 -1.62 0.33 116.94 113.61 1xhx h PHE 69 Ca -0.03 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.51 1xhx h PHE 69 Cb 0.23 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.80 1xhx h PHE 69 CO 0.00 0.00 -0.89 0.82 -1.61 0.00 0.00 178.31 176.64 1xhx h ILE 70 N 0.00 1.30 -0.40 -0.55 2.04 -1.57 -3.08 117.51 115.25 1xhx h ILE 70 Ca 0.21 -2.12 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 1xhx h ILE 70 Cb 1.09 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1xhx h ILE 70 CO -0.00 0.66 0.09 0.40 0.00 0.00 0.00 178.15 179.29 1xhx h ILE 71 N 0.37 1.23 -0.80 -0.67 1.08 -0.78 -1.28 117.51 116.66 1xhx h ILE 71 Ca -0.10 -0.81 0.10 0.00 -0.39 0.00 0.00 64.86 63.66 1xhx h ILE 71 Cb 1.54 1.00 -0.08 0.00 -3.07 0.00 0.00 36.82 36.21 1xhx h ILE 71 CO 0.18 0.28 0.44 0.78 -0.69 0.00 0.00 178.15 179.14 1xhx h ASN 72 N 0.51 0.60 -0.06 1.72 4.21 -1.46 -0.56 115.58 120.54 1xhx h ASN 72 Ca 0.12 0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.66 1xhx h ASN 72 Cb 0.33 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1xhx h ASN 72 CO 0.00 0.33 -0.09 -0.25 -1.29 0.00 0.00 177.43 176.13 1xhx h TRP 73 N 0.72 0.21 -0.72 1.19 7.01 -1.42 -2.36 115.95 120.58 1xhx h TRP 73 Ca 0.40 -0.07 0.10 0.00 2.11 0.00 0.00 58.89 61.43 1xhx h TRP 73 Cb 0.41 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 1xhx h TRP 73 CO -0.08 0.66 0.47 -0.07 -2.79 0.00 0.00 178.44 176.64 1xhx h LEU 74 N -0.30 0.52 -0.22 0.65 3.38 -0.81 -1.91 115.31 116.62 1xhx h LEU 74 Ca 0.01 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1xhx h LEU 74 Cb 0.64 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1xhx h LEU 74 CO 0.02 0.31 -0.82 -0.33 0.09 0.00 0.00 178.44 177.71 1xhx h GLU 75 N 0.58 0.61 -0.98 1.13 4.39 -1.07 -0.09 114.58 119.16 1xhx h GLU 75 Ca 0.33 -0.54 -0.27 0.00 0.34 0.00 0.00 59.36 59.22 1xhx h GLU 75 Cb 0.52 0.12 -0.16 0.00 -0.10 0.00 0.00 28.75 29.14 1xhx h GLU 75 CO -0.11 1.16 0.34 0.54 -1.16 0.00 0.00 179.01 179.78 1xhx n ARG 76 N -3.87 1.86 -1.53 2.33 1.74 -0.76 -4.16 116.66 112.26 1xhx n ARG 76 Ca -0.07 -1.74 -0.03 0.00 -0.77 0.00 0.00 57.85 55.25 1xhx n ARG 76 Cb 0.76 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 1xhx n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xhx n ASN 77 N -0.37 -0.43 0.00 0.55 3.02 -0.95 -5.00 115.26 112.08 1xhx n ASN 77 Ca 0.33 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 1xhx n ASN 77 Cb 1.14 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1xhx n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xhx n GLY 78 N -0.19 0.77 3.37 7.41 0.00 -1.25 -4.98 105.19 110.32 1xhx n GLY 78 Ca -0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 1xhx n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xhx s PHE 79 N -2.00 1.93 -0.03 1.61 0.40 -0.05 -4.74 117.98 115.10 1xhx s PHE 79 Ca 0.00 -0.46 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 1xhx s PHE 79 Cb 0.00 -0.92 0.09 0.00 0.51 0.00 0.00 43.02 42.70 1xhx s PHE 79 CO 0.00 0.42 0.76 -1.59 0.70 0.00 0.00 175.22 175.51 1xhx s LYS 80 N -3.12 0.97 0.64 0.44 -2.85 -1.24 -4.11 119.74 110.47 1xhx s LYS 80 Ca 0.20 0.05 -0.17 0.00 -1.00 0.00 0.00 55.97 55.05 1xhx s LYS 80 Cb -0.05 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1xhx s LYS 80 CO 0.08 -0.34 0.98 1.87 0.10 0.00 0.00 175.35 178.04 1xhx n TRP 81 N 0.52 0.81 -3.07 1.78 -0.00 -1.25 -2.24 117.44 113.99 1xhx n TRP 81 Ca -0.16 0.42 0.05 0.00 -0.00 0.00 0.00 57.50 57.81 1xhx n TRP 81 Cb 0.59 -2.12 0.00 0.00 -0.00 0.00 0.00 31.31 29.78 1xhx n TRP 81 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1xhx s SER 82 N -1.38 -0.32 0.50 5.87 0.15 -1.20 -4.77 113.70 112.54 1xhx s SER 82 Ca 0.76 -0.00 0.36 0.00 0.70 0.00 0.00 55.95 57.77 1xhx s SER 82 Cb -0.39 1.04 1.51 0.00 -1.71 0.00 0.00 66.02 66.47 1xhx s SER 82 CO 0.47 -0.05 1.68 0.00 1.20 0.00 0.00 173.24 176.54 1xhx h ALA 83 N 6.83 3.11 -0.54 5.45 0.00 -1.95 -1.07 119.26 131.09 1xhx h ALA 83 Ca -0.09 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1xhx h ALA 83 Cb 1.19 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1xhx h ALA 83 CO -0.11 -1.61 0.21 -0.25 0.00 0.00 0.00 179.25 177.49 1xhx n ASP 84 N -4.32 4.00 -3.02 0.00 8.00 -1.26 -4.97 116.55 114.98 1xhx n ASP 84 Ca 0.34 -2.88 0.00 0.00 0.71 0.00 0.00 54.79 52.97 1xhx n ASP 84 Cb 1.47 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1xhx n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhx n GLY 85 N -0.05 0.00 3.50 0.44 0.00 -0.40 -5.02 105.19 103.65 1xhx n GLY 85 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1xhx n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhx s LEU 86 N -0.16 2.65 0.21 0.99 1.43 -1.26 -5.03 118.68 117.50 1xhx s LEU 86 Ca 0.00 -1.14 -0.32 0.00 -1.03 0.00 0.00 54.13 51.64 1xhx s LEU 86 Cb 0.00 -0.97 -0.14 0.00 0.03 0.00 0.00 46.19 45.11 1xhx s LEU 86 CO 0.00 -0.14 1.45 -2.65 0.23 0.00 0.00 176.35 175.23 1xhx n PRO 87 N -0.69 2.00 -2.11 1.29 -0.02 -1.26 -0.24 135.00 133.97 1xhx n PRO 87 Ca -0.05 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 61.96 1xhx n PRO 87 Cb 0.62 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1xhx n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xhx n ASN 88 N 2.55 -5.33 -4.68 2.55 4.13 -0.84 -4.92 115.26 108.72 1xhx n ASN 88 Ca 0.14 0.13 -0.25 0.00 1.68 0.00 0.00 54.58 56.27 1xhx n ASN 88 Cb 0.30 -4.41 -0.07 0.00 -1.54 0.00 0.00 39.78 34.06 1xhx n ASN 88 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1xhx s THR 89 N -2.85 3.76 -0.13 3.41 2.01 0.67 -3.69 115.64 118.81 1xhx s THR 89 Ca 0.00 -1.52 -0.04 0.00 0.31 0.00 0.00 61.69 60.44 1xhx s THR 89 Cb 0.00 -2.93 0.07 0.00 0.01 0.00 0.00 72.50 69.65 1xhx s THR 89 CO 0.00 -0.19 0.23 -0.72 -0.69 0.00 0.00 174.62 173.24 1xhx s TYR 90 N -1.90 -0.33 0.43 4.92 -0.85 -0.95 -0.18 117.35 118.49 1xhx s TYR 90 Ca 0.29 0.72 0.04 0.00 -0.52 0.00 0.00 57.07 57.60 1xhx s TYR 90 Cb -0.09 -0.16 0.01 0.00 0.38 0.00 0.00 41.96 42.10 1xhx s TYR 90 CO 0.20 -0.38 0.61 1.21 -1.52 0.00 0.00 175.55 175.67 1xhx s ASN 91 N 2.37 5.71 0.30 -0.18 2.47 -0.91 -3.23 114.94 121.47 1xhx s ASN 91 Ca 0.03 -0.07 -0.06 0.00 0.42 0.00 0.00 52.86 53.19 1xhx s ASN 91 Cb -0.13 -1.12 -0.00 0.00 -1.45 0.00 0.00 41.25 38.55 1xhx s ASN 91 CO -0.08 -0.73 0.45 0.42 -3.72 0.00 0.00 177.10 173.44 1xhx s THR 92 N -2.45 0.00 -0.25 -5.21 -4.23 -1.26 -0.88 115.64 101.36 1xhx s THR 92 Ca 0.51 -1.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1xhx s THR 92 Cb -0.10 -2.50 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1xhx s THR 92 CO 0.35 0.00 0.12 -0.63 -0.54 0.00 0.00 174.62 173.92 1xhx s ILE 93 N -3.43 -0.08 0.00 2.99 1.01 -0.27 -4.97 121.20 116.44 1xhx s ILE 93 Ca 0.28 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1xhx s ILE 93 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1xhx s ILE 93 CO 0.16 -0.58 -0.06 -0.63 0.00 0.00 0.00 174.94 173.82 1xhx s ILE 94 N 2.12 0.46 0.24 2.92 1.01 -1.26 -1.60 121.20 125.09 1xhx s ILE 94 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 1xhx s ILE 94 Cb -0.16 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 1xhx s ILE 94 CO -0.28 0.04 0.50 -0.94 0.00 0.00 0.00 174.94 174.26 1xhx s SER 95 N -0.39 6.48 0.58 3.58 1.04 -1.09 -2.80 113.70 121.09 1xhx s SER 95 Ca 0.00 0.69 0.32 0.00 0.48 0.00 0.00 55.95 57.43 1xhx s SER 95 Cb -0.04 -2.13 1.38 0.00 0.10 0.00 0.00 66.02 65.33 1xhx s SER 95 CO -0.00 -0.11 1.71 -0.09 0.98 0.00 0.00 173.24 175.72 1xhx h ARG 96 N 2.06 0.00 -0.00 4.02 2.43 -1.85 0.99 114.38 122.03 1xhx h ARG 96 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1xhx h ARG 96 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1xhx h ARG 96 CO 0.68 0.00 -0.11 -1.33 -1.51 0.00 0.00 179.97 177.70 1xhx n MET 97 N -3.73 0.25 -0.95 0.20 2.81 -1.26 -4.85 117.12 109.58 1xhx n MET 97 Ca 0.18 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 1xhx n MET 97 Cb 1.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1xhx n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xhx n GLY 98 N 1.41 1.20 3.47 3.03 0.00 0.34 -5.08 105.19 109.56 1xhx n GLY 98 Ca 0.10 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1xhx n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xhx s GLN 99 N -2.34 3.68 -0.09 1.61 -0.21 -1.25 -4.91 119.66 116.14 1xhx s GLN 99 Ca 0.00 -0.47 -0.25 0.00 0.02 0.00 0.00 55.36 54.66 1xhx s GLN 99 Cb 0.00 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 1xhx s GLN 99 CO 0.00 -0.07 0.78 -1.58 -2.12 0.00 0.00 175.29 172.30 1xhx s TRP 100 N 1.28 3.54 -0.07 0.91 0.52 -1.26 -2.68 118.94 121.17 1xhx s TRP 100 Ca 0.04 1.31 0.01 0.00 0.02 0.00 0.00 56.10 57.49 1xhx s TRP 100 Cb -0.15 -2.91 -0.05 0.00 -1.15 0.00 0.00 33.47 29.21 1xhx s TRP 100 CO 0.03 -0.03 -0.05 0.66 0.02 0.00 0.00 176.95 177.57 1xhx n TYR 101 N 4.27 0.00 -3.57 -1.98 4.02 -0.63 -4.71 117.16 114.56 1xhx n TYR 101 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1xhx n TYR 101 Cb 0.50 -0.29 -0.06 0.00 -0.02 0.00 0.00 39.34 39.48 1xhx n TYR 101 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1xhx s MET 102 N -2.15 0.76 -0.16 -0.72 -2.45 -1.21 -3.58 119.30 109.79 1xhx s MET 102 Ca -0.09 0.34 -0.00 0.00 -1.25 0.00 0.00 55.69 54.68 1xhx s MET 102 Cb 0.02 0.36 0.04 0.00 1.25 0.00 0.00 34.83 36.51 1xhx s MET 102 CO 0.18 -0.21 -0.07 0.42 1.05 0.00 0.00 175.02 176.40 1xhx s ILE 103 N -0.79 1.21 -0.65 10.11 1.01 -0.36 -1.12 121.20 130.61 1xhx s ILE 103 Ca -0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 60.65 59.87 1xhx s ILE 103 Cb -0.01 -1.34 0.17 0.00 0.01 0.00 0.00 42.46 41.29 1xhx s ILE 103 CO 0.03 0.17 0.52 -0.62 0.00 0.00 0.00 174.94 175.05 1xhx s ASP 104 N 1.60 5.89 -0.37 3.58 3.68 -0.06 0.11 116.67 131.10 1xhx s ASP 104 Ca 0.01 -2.52 -0.29 0.00 2.13 0.00 0.00 52.55 51.88 1xhx s ASP 104 Cb -0.15 -2.02 0.02 0.00 -1.45 0.00 0.00 42.92 39.31 1xhx s ASP 104 CO -0.08 -0.54 1.16 -0.63 0.13 0.00 0.00 175.17 175.22 1xhx s ILE 105 N 0.43 4.30 -0.09 4.11 1.01 -0.99 -2.15 121.20 127.83 1xhx s ILE 105 Ca 0.14 1.44 -0.05 0.00 0.00 0.00 0.00 60.65 62.18 1xhx s ILE 105 Cb -0.19 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 1xhx s ILE 105 CO -0.04 -0.66 0.14 0.00 0.00 0.00 0.00 174.94 174.37 1xhx n LEU 107 N 1.73 0.00 0.00 0.00 4.77 -0.84 -1.99 117.00 120.67 1xhx n LEU 107 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1xhx n LEU 107 Cb 0.54 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 1xhx n LEU 107 CO 0.34 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1xhx n GLY 108 N 2.62 -1.15 3.25 -0.72 0.00 -1.23 -3.33 105.19 104.62 1xhx n GLY 108 Ca -0.09 -1.17 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 1xhx n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 109 N -3.00 1.50 -0.35 1.61 1.51 -1.26 -1.43 117.35 115.93 1xhx s TYR 109 Ca 0.00 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1xhx s TYR 109 Cb 0.00 -0.80 0.12 0.00 -0.11 0.00 0.00 41.96 41.18 1xhx s TYR 109 CO 0.00 0.17 0.18 0.21 -1.11 0.00 0.00 175.55 175.00 1xhx s LYS 110 N -2.37 0.72 2.67 -0.62 2.47 -0.50 -4.94 119.74 117.17 1xhx s LYS 110 Ca 0.07 -1.31 0.00 0.00 -1.56 0.00 0.00 55.97 53.17 1xhx s LYS 110 Cb -0.07 -1.70 0.00 0.00 -1.46 0.00 0.00 37.83 34.60 1xhx s LYS 110 CO 0.04 -1.11 0.00 0.41 0.16 0.00 0.00 175.35 174.84 1xhx n GLY 111 N 4.30 1.31 0.00 5.54 0.00 -1.26 -3.23 105.19 111.85 1xhx n GLY 111 Ca 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1xhx n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xhx n LYS 112 N 2.26 0.97 -3.13 1.61 5.02 -1.26 -5.03 118.16 118.60 1xhx n LYS 112 Ca 0.00 -0.88 -0.39 0.00 -2.02 0.00 0.00 58.31 55.02 1xhx n LYS 112 Cb 0.00 -0.88 -0.06 0.00 -0.02 0.00 0.00 35.03 34.07 1xhx n LYS 112 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1xhx s ARG 113 N -0.43 4.37 -0.31 1.97 3.52 -1.20 -5.05 118.95 121.83 1xhx s ARG 113 Ca 0.00 0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 56.30 1xhx s ARG 113 Cb 0.00 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1xhx s ARG 113 CO 0.00 0.51 0.66 0.21 -0.81 0.00 0.00 175.30 175.87 1xhx s LYS 114 N -0.78 3.89 -0.45 5.12 2.20 -1.26 -1.41 119.74 127.05 1xhx s LYS 114 Ca 0.33 0.33 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 1xhx s LYS 114 Cb -0.20 -3.73 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 1xhx s LYS 114 CO 0.21 -0.61 0.81 0.42 -0.36 0.00 0.00 175.35 175.83 1xhx s ILE 115 N 2.68 4.61 0.27 5.43 -1.09 -0.51 -4.98 121.20 127.61 1xhx s ILE 115 Ca 0.26 0.47 -0.18 0.00 -2.23 0.00 0.00 60.65 58.97 1xhx s ILE 115 Cb -0.15 -4.35 0.01 0.00 -1.58 0.00 0.00 42.46 36.40 1xhx s ILE 115 CO 0.12 -0.75 0.63 -1.38 -1.23 0.00 0.00 174.94 172.34 1xhx s HIS 116 N 3.38 0.02 -0.17 3.97 -3.43 -1.26 -1.99 115.29 115.82 1xhx s HIS 116 Ca 0.31 -0.45 -0.03 0.00 -0.80 0.00 0.00 55.06 54.09 1xhx s HIS 116 Cb -0.12 0.52 0.05 0.00 -1.43 0.00 0.00 32.58 31.60 1xhx s HIS 116 CO 0.23 -1.16 0.04 0.99 -2.00 0.00 0.00 174.74 172.84 1xhx s THR 117 N -3.92 0.40 0.07 -5.38 2.01 -0.68 -3.99 115.64 104.15 1xhx s THR 117 Ca 0.15 -0.36 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 1xhx s THR 117 Cb -0.04 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.55 1xhx s THR 117 CO 0.08 -0.13 0.54 -0.69 -0.69 0.00 0.00 174.62 173.73 1xhx s VAL 118 N 1.93 4.80 -0.20 3.82 1.01 -0.92 -2.36 120.40 128.48 1xhx s VAL 118 Ca 0.01 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 1xhx s VAL 118 Cb -0.16 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1xhx s VAL 118 CO -0.08 0.51 -0.11 -0.63 0.00 0.00 0.00 175.10 174.79 1xhx s ILE 119 N -1.16 2.83 0.38 2.22 1.01 0.12 -0.91 121.20 125.69 1xhx s ILE 119 Ca 0.29 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1xhx s ILE 119 Cb -0.18 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1xhx s ILE 119 CO 0.18 0.48 0.23 -0.31 0.00 0.00 0.00 174.94 175.52 1xhx s TYR 120 N 1.31 2.70 -0.28 3.97 1.51 0.19 -1.23 117.35 125.52 1xhx s TYR 120 Ca 0.04 -0.47 -0.09 0.00 -1.01 0.00 0.00 57.07 55.55 1xhx s TYR 120 Cb -0.14 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1xhx s TYR 120 CO -0.06 0.15 0.12 0.34 -1.11 0.00 0.00 175.55 175.00 1xhx s ASP 121 N -3.95 5.45 0.48 2.29 2.15 -1.23 -1.82 116.67 120.03 1xhx s ASP 121 Ca 0.42 -0.32 0.27 0.00 0.43 0.00 0.00 52.55 53.35 1xhx s ASP 121 Cb -0.01 -1.99 0.95 0.00 -0.30 0.00 0.00 42.92 41.57 1xhx s ASP 121 CO 0.24 -0.11 1.83 0.77 -0.17 0.00 0.00 175.17 177.73 1xhx h SER 122 N 8.31 0.00 0.23 -0.34 4.64 -1.36 -2.90 113.55 122.14 1xhx h SER 122 Ca -0.35 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1xhx h SER 122 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1xhx h SER 122 CO 0.59 0.10 -0.15 0.25 -0.87 0.00 0.00 176.83 176.75 1xhx h LEU 123 N 0.00 0.00 -1.02 5.97 5.85 -1.79 0.48 115.31 124.81 1xhx h LEU 123 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xhx h LEU 123 Cb 0.73 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xhx h LEU 123 CO 0.01 0.15 -0.05 0.11 -0.34 0.00 0.00 178.44 178.32 1xhx h LYS 124 N 0.00 0.00 0.00 1.25 1.79 -1.80 -2.57 116.57 115.24 1xhx h LYS 124 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1xhx h LYS 124 Cb 0.30 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1xhx h LYS 124 CO 0.02 0.05 -2.17 1.63 -1.08 0.00 0.00 179.45 177.89 1xhx n LYS 125 N -3.14 0.67 -3.50 3.15 5.02 -0.45 -1.73 118.16 118.19 1xhx n LYS 125 Ca 0.01 -0.05 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 1xhx n LYS 125 Cb 0.39 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 1xhx n LYS 125 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhx s LEU 126 N -5.21 1.85 0.00 -0.35 1.43 0.03 -4.57 118.68 111.86 1xhx s LEU 126 Ca -0.09 -2.95 -0.00 0.00 -1.03 0.00 0.00 54.13 50.06 1xhx s LEU 126 Cb 0.09 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1xhx s LEU 126 CO 0.85 -0.20 0.43 -2.65 0.23 0.00 0.00 176.35 175.02 1xhx n PRO 127 N 3.04 0.06 -3.97 1.29 -0.02 -0.97 -4.48 135.00 129.94 1xhx n PRO 127 Ca 0.23 -0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.60 1xhx n PRO 127 Cb 0.43 -1.51 -0.07 0.00 -0.02 0.00 0.00 33.50 32.33 1xhx n PRO 127 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1xhx s PHE 128 N 2.61 0.41 0.59 6.00 0.40 -1.26 -5.12 117.98 121.61 1xhx s PHE 128 Ca 0.01 -0.79 -0.16 0.00 -0.60 0.00 0.00 56.93 55.40 1xhx s PHE 128 Cb 0.01 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.40 1xhx s PHE 128 CO 0.00 -0.68 1.06 -2.14 0.70 0.00 0.00 175.22 174.17 1xhx s PRO 129 N -3.96 3.31 0.21 0.24 0.02 -1.26 -4.78 135.00 128.77 1xhx s PRO 129 Ca 0.16 1.26 -0.09 0.00 0.02 0.00 0.00 61.00 62.35 1xhx s PRO 129 Cb 0.04 -2.03 0.29 0.00 0.02 0.00 0.00 34.50 32.82 1xhx s PRO 129 CO -0.01 -0.83 1.74 0.28 -0.33 0.00 0.00 177.00 177.85 1xhx h VAL 130 N 0.53 0.76 -0.18 3.83 2.07 -1.98 0.26 116.25 121.55 1xhx h VAL 130 Ca -0.47 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1xhx h VAL 130 Cb 1.22 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1xhx h VAL 130 CO 0.57 0.07 -0.17 0.11 0.02 0.00 0.00 177.57 178.18 1xhx h LYS 131 N 0.41 -0.18 -0.47 1.57 1.79 -2.00 0.19 116.57 117.88 1xhx h LYS 131 Ca 0.31 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.77 1xhx h LYS 131 Cb 0.39 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 1xhx h LYS 131 CO -0.31 -0.12 0.17 -0.22 -1.08 0.00 0.00 179.45 177.88 1xhx h LYS 132 N -0.19 0.71 -0.47 3.15 3.64 -1.64 -1.72 116.57 120.05 1xhx h LYS 132 Ca 0.11 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1xhx h LYS 132 Cb 0.36 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1xhx h LYS 132 CO -0.29 0.66 0.25 0.82 -2.27 0.00 0.00 179.45 178.62 1xhx h ILE 133 N 0.61 0.99 -0.46 2.00 2.04 -0.15 0.11 117.51 122.66 1xhx h ILE 133 Ca 0.15 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1xhx h ILE 133 Cb 0.23 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1xhx h ILE 133 CO -0.01 0.09 0.26 0.00 0.00 0.00 0.00 178.15 178.49 1xhx h ALA 134 N 1.24 0.58 0.73 1.87 0.00 -0.71 0.32 119.26 123.28 1xhx h ALA 134 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xhx h ALA 134 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xhx h ALA 134 CO -0.13 -0.07 -0.35 -0.22 0.00 0.00 0.00 179.25 178.49 1xhx h LYS 135 N 0.51 -0.94 -0.06 0.00 3.64 -0.73 0.15 116.57 119.15 1xhx h LYS 135 Ca 0.19 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1xhx h LYS 135 Cb 0.04 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1xhx h LYS 135 CO -0.10 -0.60 -0.15 -0.44 -2.27 0.00 0.00 179.45 175.89 1xhx h ASP 136 N -1.13 0.08 0.45 4.20 3.32 -0.97 -2.24 116.42 120.13 1xhx h ASP 136 Ca -0.10 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1xhx h ASP 136 Cb 0.77 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1xhx h ASP 136 CO 0.16 0.24 -0.47 0.49 -1.72 0.00 0.00 179.24 177.95 1xhx n PHE 137 N -4.32 0.00 -3.24 4.55 3.01 0.10 -4.12 117.46 113.44 1xhx n PHE 137 Ca -0.02 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.29 1xhx n PHE 137 Cb 0.24 -0.23 0.08 0.00 -0.01 0.00 0.00 39.48 39.57 1xhx n PHE 137 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xhx n LYS 138 N -1.36 -5.21 -4.71 -1.08 5.02 0.32 -2.70 118.16 108.43 1xhx n LYS 138 Ca 0.07 0.76 -0.33 0.00 -2.02 0.00 0.00 58.31 56.79 1xhx n LYS 138 Cb 0.34 -5.49 -0.13 0.00 -0.02 0.00 0.00 35.03 29.72 1xhx n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xhx s LEU 139 N -5.76 2.87 -0.03 -0.35 1.43 0.08 -4.98 118.68 111.94 1xhx s LEU 139 Ca 0.08 -0.23 -0.39 0.00 -1.03 0.00 0.00 54.13 52.55 1xhx s LEU 139 Cb -0.01 -1.64 -0.18 0.00 0.03 0.00 0.00 46.19 44.39 1xhx s LEU 139 CO 0.66 0.22 1.27 0.41 0.23 0.00 0.00 176.35 179.14 1xhx n THR 140 N 3.17 0.02 -3.74 5.49 -1.04 -1.26 -4.62 114.28 112.30 1xhx n THR 140 Ca -0.18 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.68 1xhx n THR 140 Cb 0.53 -0.46 -0.15 0.00 -1.82 0.00 0.00 70.33 68.43 1xhx n THR 140 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xhx s VAL 141 N 0.73 -0.08 0.24 12.58 0.11 -1.26 -4.88 120.40 127.84 1xhx s VAL 141 Ca 0.90 0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 59.88 1xhx s VAL 141 Cb -1.15 -0.21 -0.09 0.00 -1.53 0.00 0.00 36.38 33.40 1xhx s VAL 141 CO 0.56 0.09 1.05 -0.76 -3.33 0.00 0.00 175.10 172.71 1xhx s LEU 142 N 1.35 4.56 0.55 2.54 1.43 -1.26 -5.04 118.68 122.81 1xhx s LEU 142 Ca -0.07 2.13 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 1xhx s LEU 142 Cb -0.12 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 1xhx s LEU 142 CO -0.05 -0.08 0.98 -0.54 0.23 0.00 0.00 176.35 176.89 1xhx s LYS 143 N -1.11 3.76 0.32 1.70 1.02 -1.26 -4.89 119.74 119.28 1xhx s LYS 143 Ca 0.45 0.79 0.00 0.00 0.02 0.00 0.00 55.97 57.22 1xhx s LYS 143 Cb -0.30 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1xhx s LYS 143 CO 0.37 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 1xhx n GLY 144 N -2.09 -2.50 3.48 -3.33 0.00 -1.26 -5.05 105.19 94.45 1xhx n GLY 144 Ca 0.06 -1.70 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 1xhx n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhx s ASP 145 N -2.63 -0.61 0.21 1.61 -1.08 -1.26 -5.14 116.67 107.77 1xhx s ASP 145 Ca 0.00 0.56 -0.32 0.00 -0.52 0.00 0.00 52.55 52.27 1xhx s ASP 145 Cb 0.00 0.53 -0.14 0.00 -1.46 0.00 0.00 42.92 41.86 1xhx s ASP 145 CO 0.00 -0.66 1.42 -0.38 0.52 0.00 0.00 175.17 176.08 1xhx n ILE 146 N 0.73 0.70 -1.57 4.11 5.41 -1.26 -4.80 119.36 122.67 1xhx n ILE 146 Ca -0.19 -0.18 -0.40 0.00 1.00 0.00 0.00 62.75 62.99 1xhx n ILE 146 Cb 0.58 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 38.07 1xhx n ILE 146 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xhx n ASP 147 N 2.43 2.77 -0.02 4.38 -0.08 -1.26 -4.83 116.55 119.95 1xhx n ASP 147 Ca 0.13 -0.14 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1xhx n ASP 147 Cb 0.30 -1.56 0.09 0.00 2.34 0.00 0.00 41.12 42.28 1xhx n ASP 147 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1xhx h TYR 148 N 17.20 0.73 -3.59 -0.67 0.99 -2.00 -3.37 116.97 126.26 1xhx h TYR 148 Ca -0.32 -0.21 -0.79 0.00 2.00 0.00 0.00 58.73 59.40 1xhx h TYR 148 Cb 1.26 -0.15 -0.28 0.00 1.00 0.00 0.00 36.73 38.55 1xhx h TYR 148 CO 0.95 0.92 0.34 -3.38 -0.00 0.00 0.00 178.16 176.99 1xhx s HIS 149 N -4.26 4.16 -0.17 4.88 -3.43 -1.26 -4.79 115.29 110.42 1xhx s HIS 149 Ca -0.08 -2.61 -0.05 0.00 -0.80 0.00 0.00 55.06 51.52 1xhx s HIS 149 Cb 0.12 -3.78 0.08 0.00 -1.43 0.00 0.00 32.58 27.57 1xhx s HIS 149 CO 0.83 -0.94 0.34 0.21 -2.00 0.00 0.00 174.74 173.18 1xhx s LYS 150 N -1.04 0.24 -0.09 -0.38 2.20 -1.26 -5.12 119.74 114.29 1xhx s LYS 150 Ca 0.28 0.83 -0.38 0.00 -0.36 0.00 0.00 55.97 56.34 1xhx s LYS 150 Cb -0.10 0.03 -0.16 0.00 -1.51 0.00 0.00 37.83 36.10 1xhx s LYS 150 CO -0.08 -0.32 1.55 0.39 -0.36 0.00 0.00 175.35 176.53 1xhx n GLU 151 N 5.37 1.20 -3.68 4.03 1.02 -1.26 -4.95 120.64 122.37 1xhx n GLU 151 Ca -0.07 0.44 -0.30 0.00 -0.02 0.00 0.00 57.16 57.21 1xhx n GLU 151 Cb 0.50 -2.11 -0.13 0.00 -0.02 0.00 0.00 31.44 29.68 1xhx n GLU 151 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1xhx s ARG 152 N 2.04 1.07 0.90 3.49 0.52 -1.26 -5.13 118.95 120.57 1xhx s ARG 152 Ca 0.91 -1.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.30 1xhx s ARG 152 Cb -1.00 -2.13 0.13 0.00 0.52 0.00 0.00 34.95 32.48 1xhx s ARG 152 CO 0.56 -1.13 1.14 -2.14 0.02 0.00 0.00 175.30 173.74 1xhx s PRO 153 N 0.71 1.18 0.36 3.54 0.02 -1.26 -4.81 135.00 134.74 1xhx s PRO 153 Ca 0.16 1.47 -0.26 0.00 0.02 0.00 0.00 61.00 62.39 1xhx s PRO 153 Cb -0.23 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.42 1xhx s PRO 153 CO -0.04 -2.49 1.01 0.28 -0.33 0.00 0.00 177.00 175.42 1xhx n VAL 154 N -4.13 2.19 -1.15 3.83 0.31 -1.26 -1.06 118.33 117.05 1xhx n VAL 154 Ca 0.11 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.89 1xhx n VAL 154 Cb 0.52 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.33 1xhx n VAL 154 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xhx n GLY 155 N 1.19 0.76 3.52 2.92 0.00 -1.26 -4.96 105.19 107.36 1xhx n GLY 155 Ca 0.09 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 1xhx n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xhx n TYR 156 N -2.69 0.14 -3.36 1.61 9.36 -0.22 -4.93 117.16 117.07 1xhx n TYR 156 Ca -0.05 0.56 -0.39 0.00 3.32 0.00 0.00 57.90 61.33 1xhx n TYR 156 Cb 0.25 -2.08 -0.09 0.00 -0.63 0.00 0.00 39.34 36.80 1xhx n TYR 156 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1xhx s LYS 157 N -1.86 3.98 0.04 2.98 2.20 -1.26 -4.97 119.74 120.84 1xhx s LYS 157 Ca 0.65 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 1xhx s LYS 157 Cb -0.56 -3.67 -0.06 0.00 -1.51 0.00 0.00 37.83 32.03 1xhx s LYS 157 CO 0.56 -0.32 1.36 0.42 -0.36 0.00 0.00 175.35 177.01 1xhx s ILE 158 N 2.12 3.66 0.90 5.43 1.01 -1.26 -5.02 121.20 128.05 1xhx s ILE 158 Ca 0.16 1.12 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 1xhx s ILE 158 Cb -0.16 -3.72 0.13 0.00 0.01 0.00 0.00 42.46 38.73 1xhx s ILE 158 CO 0.10 0.03 1.11 0.42 0.00 0.00 0.00 174.94 176.60 1xhx s THR 159 N 1.86 2.43 0.39 2.92 -4.23 -1.26 -4.85 115.64 112.89 1xhx s THR 159 Ca 0.63 0.14 0.13 0.00 -1.18 0.00 0.00 61.69 61.41 1xhx s THR 159 Cb -0.32 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 70.87 1xhx s THR 159 CO 0.28 -0.18 1.87 -0.65 -0.54 0.00 0.00 174.62 175.39 1xhx h PRO 160 N -1.52 0.02 0.42 3.99 0.11 -1.99 -1.79 132.00 131.23 1xhx h PRO 160 Ca -0.50 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1xhx h PRO 160 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1xhx h PRO 160 CO 0.58 0.33 -0.20 0.93 -0.21 0.00 0.00 178.00 179.44 1xhx h GLU 161 N 0.02 -0.54 -0.86 1.05 5.08 -2.00 -1.28 114.58 116.05 1xhx h GLU 161 Ca -0.00 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1xhx h GLU 161 Cb 0.57 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1xhx h GLU 161 CO 0.04 -0.25 0.57 0.93 -1.00 0.00 0.00 179.01 179.30 1xhx h GLU 162 N -0.78 0.99 -0.43 2.33 5.08 -1.91 -1.18 114.58 118.68 1xhx h GLU 162 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1xhx h GLU 162 Cb 0.53 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1xhx h GLU 162 CO 0.09 0.65 0.27 -0.92 -1.00 0.00 0.00 179.01 178.10 1xhx h TYR 163 N 1.02 0.55 -0.44 4.33 3.20 -1.17 0.46 116.97 124.91 1xhx h TYR 163 Ca 0.36 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 1xhx h TYR 163 Cb 0.13 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1xhx h TYR 163 CO -0.00 0.37 0.25 0.00 -1.64 0.00 0.00 178.16 177.14 1xhx h ALA 164 N 1.13 0.57 -0.21 1.82 0.00 -0.30 -0.86 119.26 121.41 1xhx h ALA 164 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xhx h ALA 164 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xhx h ALA 164 CO -0.03 0.08 0.13 1.88 0.00 0.00 0.00 179.25 181.31 1xhx h TYR 165 N 0.58 0.26 -0.50 0.00 0.99 -0.90 -0.11 116.97 117.31 1xhx h TYR 165 Ca 0.16 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.85 1xhx h TYR 165 Cb 0.04 -0.09 -0.02 0.00 1.00 0.00 0.00 36.73 37.66 1xhx h TYR 165 CO -0.02 0.19 0.13 0.82 -0.00 0.00 0.00 178.16 179.27 1xhx h ILE 166 N 0.26 1.21 -0.25 -2.88 2.04 -0.72 -0.76 117.51 116.42 1xhx h ILE 166 Ca 0.07 -0.74 -0.17 0.00 1.00 0.00 0.00 64.86 65.02 1xhx h ILE 166 Cb -0.01 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1xhx h ILE 166 CO -0.02 0.28 -0.51 0.50 0.00 0.00 0.00 178.15 178.40 1xhx h LYS 167 N 0.73 0.78 -0.04 2.37 3.64 -0.85 -3.11 116.57 120.08 1xhx h LYS 167 Ca 0.16 -0.51 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1xhx h LYS 167 Cb 0.26 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xhx h LYS 167 CO -0.00 1.14 0.02 -0.97 -2.27 0.00 0.00 179.45 177.37 1xhx h ASN 168 N 0.52 0.05 -0.83 4.20 -0.00 -0.64 -0.97 115.58 117.91 1xhx h ASN 168 Ca 0.01 -0.06 0.14 0.00 -0.00 0.00 0.00 56.30 56.38 1xhx h ASN 168 Cb 1.12 -0.01 -0.09 0.00 -0.00 0.00 0.00 38.32 39.33 1xhx h ASN 168 CO 0.11 0.10 0.43 0.44 -0.00 0.00 0.00 177.43 178.51 1xhx h ASP 169 N 0.00 0.53 1.42 1.15 3.32 -1.19 -1.58 116.42 120.07 1xhx h ASP 169 Ca 0.02 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1xhx h ASP 169 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1xhx h ASP 169 CO -0.00 0.24 -0.59 0.16 -1.72 0.00 0.00 179.24 177.32 1xhx h ILE 170 N 0.63 0.15 -0.02 0.35 3.07 -1.46 -3.25 117.51 116.98 1xhx h ILE 170 Ca 0.45 -1.23 -0.18 0.00 1.55 0.00 0.00 64.86 65.44 1xhx h ILE 170 Cb 0.60 1.85 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 1xhx h ILE 170 CO -0.35 0.08 -0.80 -0.61 -1.05 0.00 0.00 178.15 175.42 1xhx h GLN 171 N 0.00 0.21 0.13 0.16 4.15 -0.51 -1.93 115.11 117.32 1xhx h GLN 171 Ca -0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1xhx h GLN 171 Cb 1.10 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1xhx h GLN 171 CO 0.01 0.90 -0.06 0.82 -1.93 0.00 0.00 178.83 178.57 1xhx h ILE 172 N 0.13 0.97 -0.04 2.39 2.04 -1.39 -0.33 117.51 121.28 1xhx h ILE 172 Ca -0.03 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1xhx h ILE 172 Cb 1.40 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1xhx h ILE 172 CO 0.12 0.10 -0.14 0.40 0.00 0.00 0.00 178.15 178.63 1xhx h ILE 173 N -0.37 1.12 -0.15 -0.67 1.08 -1.59 -1.71 117.51 115.23 1xhx h ILE 173 Ca -0.02 -0.57 -0.09 0.00 -0.39 0.00 0.00 64.86 63.79 1xhx h ILE 173 Cb 0.29 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1xhx h ILE 173 CO 0.03 0.17 -0.27 0.00 -0.69 0.00 0.00 178.15 177.38 1xhx h ALA 174 N 1.81 0.23 -0.52 1.87 0.00 -1.02 -1.60 119.26 120.03 1xhx h ALA 174 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1xhx h ALA 174 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xhx h ALA 174 CO 0.02 0.23 0.15 0.93 0.00 0.00 0.00 179.25 180.59 1xhx h GLU 175 N 0.06 0.79 0.17 0.00 5.08 -0.74 -1.50 114.58 118.44 1xhx h GLU 175 Ca 0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1xhx h GLU 175 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1xhx h GLU 175 CO 0.06 0.69 -0.08 0.00 -1.00 0.00 0.00 179.01 178.68 1xhx h ALA 176 N 1.40 -0.23 -0.52 3.43 0.00 -1.27 -3.16 119.26 118.91 1xhx h ALA 176 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xhx h ALA 176 Cb 0.24 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1xhx h ALA 176 CO -0.01 -0.40 0.33 -0.07 0.00 0.00 0.00 179.25 179.10 1xhx h LEU 177 N -0.69 0.61 -1.20 0.00 3.38 -1.22 -2.52 115.31 113.67 1xhx h LEU 177 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xhx h LEU 177 Cb 0.49 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1xhx h LEU 177 CO 0.04 0.46 0.48 0.25 0.09 0.00 0.00 178.44 179.76 1xhx h LEU 178 N 0.71 0.90 -1.23 1.67 5.85 -1.30 0.44 115.31 122.36 1xhx h LEU 178 Ca 0.19 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1xhx h LEU 178 Cb -0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 1xhx h LEU 178 CO -0.04 0.67 0.06 0.40 -0.34 0.00 0.00 178.44 179.20 1xhx h ILE 179 N 1.05 1.19 0.08 4.05 2.04 -1.42 0.01 117.51 124.52 1xhx h ILE 179 Ca 0.28 -0.72 -0.16 0.00 1.00 0.00 0.00 64.86 65.26 1xhx h ILE 179 Cb -0.08 0.83 0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1xhx h ILE 179 CO -0.06 0.26 -0.68 1.56 0.00 0.00 0.00 178.15 179.23 1xhx h GLN 180 N 0.57 0.33 0.00 2.37 4.20 -1.36 -3.22 115.11 118.00 1xhx h GLN 180 Ca 0.13 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.37 1xhx h GLN 180 Cb 0.27 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1xhx h GLN 180 CO 0.00 1.17 -0.05 0.74 -0.67 0.00 0.00 178.83 180.02 1xhx h PHE 181 N -0.29 0.00 0.00 2.96 0.05 -0.81 -0.24 116.94 118.60 1xhx h PHE 181 Ca -0.11 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.68 1xhx h PHE 181 Cb 1.47 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.42 1xhx h PHE 181 CO 0.18 0.05 0.00 1.63 -0.18 0.00 0.00 178.31 179.99 1xhx n LYS 182 N -4.42 0.04 -0.13 1.51 5.02 -0.02 -2.59 118.16 117.57 1xhx n LYS 182 Ca -0.03 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.52 1xhx n LYS 182 Cb 0.14 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1xhx n LYS 182 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xhx n GLN 183 N -1.46 2.65 0.00 1.97 6.02 -0.17 -4.95 117.38 121.44 1xhx n GLN 183 Ca 0.05 -2.05 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 1xhx n GLN 183 Cb 0.17 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1xhx n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xhx n GLY 184 N -0.37 2.12 3.30 1.08 0.00 -1.07 -4.92 105.19 105.34 1xhx n GLY 184 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1xhx n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xhx n LEU 185 N 0.00 3.21 -1.15 0.99 4.32 -0.79 -4.55 117.00 119.04 1xhx n LEU 185 Ca 0.00 -2.72 0.06 0.00 -0.02 0.00 0.00 56.01 53.33 1xhx n LEU 185 Cb 0.00 -1.20 0.28 0.00 -1.62 0.00 0.00 43.42 40.88 1xhx n LEU 185 CO 0.00 -1.16 0.76 -0.90 -1.22 0.00 0.00 177.39 174.87 1xhx n ASP 186 N 10.07 4.10 -4.73 -1.43 3.85 -1.26 -3.81 116.55 123.35 1xhx n ASP 186 Ca 0.48 -3.10 -0.28 0.00 -0.71 0.00 0.00 54.79 51.18 1xhx n ASP 186 Cb 0.43 -0.59 0.11 0.00 -1.35 0.00 0.00 41.12 39.71 1xhx n ASP 186 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1xhx s ARG 187 N -2.88 1.72 0.15 0.11 1.81 -1.26 -5.01 118.95 113.60 1xhx s ARG 187 Ca 0.45 -0.17 -0.03 0.00 -1.72 0.00 0.00 55.73 54.26 1xhx s ARG 187 Cb 0.37 -2.01 -0.01 0.00 -0.45 0.00 0.00 34.95 32.85 1xhx s ARG 187 CO 0.09 -1.67 1.38 1.98 -0.68 0.00 0.00 175.30 176.41 1xhx h MET 188 N -1.03 0.44 -5.29 3.54 -1.53 -1.95 -3.47 114.93 105.64 1xhx h MET 188 Ca -0.45 -0.40 -0.54 0.00 -3.44 0.00 0.00 59.70 54.88 1xhx h MET 188 Cb 1.30 0.09 -0.13 0.00 -0.55 0.00 0.00 31.60 32.31 1xhx h MET 188 CO 0.57 1.04 -0.58 0.95 0.14 0.00 0.00 176.91 179.02 1xhx s THR 189 N -3.52 1.27 0.06 -0.77 -4.23 -1.26 -4.11 115.64 103.08 1xhx s THR 189 Ca -0.06 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 1xhx s THR 189 Cb 0.10 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 71.11 1xhx s THR 189 CO 0.85 0.00 1.42 0.00 -0.54 0.00 0.00 174.62 176.35 1xhx h ALA 190 N 1.92 0.28 -0.43 3.99 0.00 -1.58 -2.20 119.26 121.24 1xhx h ALA 190 Ca -0.41 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.28 1xhx h ALA 190 Cb 1.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1xhx h ALA 190 CO 0.71 0.12 0.07 0.78 0.00 0.00 0.00 179.25 180.92 1xhx h GLY 191 N 0.11 0.49 1.33 0.00 0.00 -1.86 0.17 103.07 103.31 1xhx h GLY 191 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1xhx h GLY 191 CO 0.03 -0.06 0.23 1.76 0.00 0.00 0.00 176.54 178.50 1xhx h SER 192 N 0.20 0.79 -0.55 0.19 0.02 -1.86 0.96 113.55 113.29 1xhx h SER 192 Ca 0.21 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1xhx h SER 192 Cb 0.27 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1xhx h SER 192 CO -0.29 0.71 0.23 0.44 -1.14 0.00 0.00 176.83 176.78 1xhx h ASP 193 N 0.85 0.76 -0.55 3.07 3.32 -0.65 0.62 116.42 123.83 1xhx h ASP 193 Ca 0.20 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1xhx h ASP 193 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1xhx h ASP 193 CO -0.02 0.72 0.27 0.28 -1.72 0.00 0.00 179.24 178.77 1xhx h SER 194 N 0.76 0.71 -0.62 6.45 0.02 -0.11 0.02 113.55 120.77 1xhx h SER 194 Ca 0.19 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1xhx h SER 194 Cb 0.19 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1xhx h SER 194 CO -0.02 0.63 0.21 0.25 -1.14 0.00 0.00 176.83 176.76 1xhx h LEU 195 N 0.74 0.92 0.03 5.07 5.85 -0.42 -0.87 115.31 126.62 1xhx h LEU 195 Ca 0.19 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1xhx h LEU 195 Cb 0.10 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.89 1xhx h LEU 195 CO -0.03 0.86 -0.01 0.50 -0.34 0.00 0.00 178.44 179.42 1xhx h LYS 196 N 0.96 -0.03 0.00 1.25 3.64 -0.36 -0.60 116.57 121.44 1xhx h LYS 196 Ca 0.21 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1xhx h LYS 196 Cb 0.27 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1xhx h LYS 196 CO -0.01 0.13 -0.04 0.78 -2.27 0.00 0.00 179.45 178.04 1xhx h GLY 197 N -0.19 0.00 0.88 5.01 0.00 -0.74 -0.85 103.07 107.17 1xhx h GLY 197 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1xhx h GLY 197 CO 0.01 0.00 -0.51 -2.75 0.00 0.00 0.00 176.54 173.29 1xhx h PHE 198 N 0.00 0.70 -0.52 5.60 3.57 -0.64 -3.11 116.94 122.54 1xhx h PHE 198 Ca -0.00 -0.31 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 1xhx h PHE 198 Cb 0.09 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1xhx h PHE 198 CO 0.00 1.09 0.05 0.87 -2.23 0.00 0.00 178.31 178.09 1xhx h LYS 199 N 0.11 0.85 -0.71 1.11 1.57 -0.39 -2.51 116.57 116.61 1xhx h LYS 199 Ca -0.03 -0.21 0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1xhx h LYS 199 Cb 1.15 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1xhx h LYS 199 CO 0.10 0.81 0.34 -0.44 -0.57 0.00 0.00 179.45 179.69 1xhx h ASP 200 N 0.80 0.42 -0.23 0.86 3.32 -1.19 0.99 116.42 121.39 1xhx h ASP 200 Ca 0.16 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.14 1xhx h ASP 200 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1xhx h ASP 200 CO 0.01 0.23 -0.40 0.40 -1.72 0.00 0.00 179.24 177.76 1xhx h ILE 201 N 0.56 1.31 -0.00 0.35 2.04 -1.41 -3.32 117.51 117.04 1xhx h ILE 201 Ca 0.35 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1xhx h ILE 201 Cb 0.40 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1xhx h ILE 201 CO -0.29 0.51 -0.91 2.30 0.00 0.00 0.00 178.15 179.76 1xhx n ILE 202 N -4.21 0.00 0.00 -0.67 -5.35 -0.98 -5.07 119.36 103.08 1xhx n ILE 202 Ca -0.05 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 1xhx n ILE 202 Cb 0.54 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1xhx n ILE 202 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1xhx n THR 203 N -1.49 -0.72 -0.13 7.28 -2.24 0.34 -4.35 114.28 112.97 1xhx n THR 203 Ca 0.04 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1xhx n THR 203 Cb 0.33 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.86 1xhx n THR 203 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1xhx h THR 204 N 0.00 1.17 0.10 4.28 2.02 -1.92 -1.74 112.91 116.82 1xhx h THR 204 Ca 0.00 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1xhx h THR 204 Cb 0.00 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1xhx h THR 204 CO 0.00 0.18 -0.13 0.50 0.37 0.00 0.00 175.52 176.43 1xhx h LYS 205 N 0.82 -0.27 -0.61 6.66 3.64 -1.93 -1.29 116.57 123.59 1xhx h LYS 205 Ca 0.22 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1xhx h LYS 205 Cb -0.03 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1xhx h LYS 205 CO -0.04 -0.18 0.09 -0.22 -2.27 0.00 0.00 179.45 176.83 1xhx h LYS 206 N -0.28 0.99 -0.30 1.90 3.64 -1.70 -2.74 116.57 118.09 1xhx h LYS 206 Ca 0.02 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.20 1xhx h LYS 206 Cb 0.28 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1xhx h LYS 206 CO -0.06 0.92 -0.02 0.35 -2.27 0.00 0.00 179.45 178.37 1xhx h PHE 207 N 0.93 -0.05 -0.94 1.91 3.57 -0.96 0.53 116.94 121.93 1xhx h PHE 207 Ca 0.19 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1xhx h PHE 207 Cb 0.42 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1xhx h PHE 207 CO 0.03 -0.07 0.59 0.87 -2.23 0.00 0.00 178.31 177.50 1xhx h LYS 208 N 0.06 1.25 -0.23 1.11 1.57 -1.04 0.23 116.57 119.53 1xhx h LYS 208 Ca 0.14 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 1xhx h LYS 208 Cb 0.20 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xhx h LYS 208 CO -0.26 0.86 -0.61 0.87 -0.57 0.00 0.00 179.45 179.74 1xhx h LYS 209 N 1.28 0.78 -0.03 3.15 1.57 -1.13 -3.24 116.57 118.96 1xhx h LYS 209 Ca 0.34 -0.54 -0.20 0.00 -1.87 0.00 0.00 60.65 58.38 1xhx h LYS 209 Cb -0.10 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xhx h LYS 209 CO -0.07 1.16 -0.76 0.28 -0.57 0.00 0.00 179.45 179.49 1xhx h VAL 210 N 0.58 1.35 -2.67 0.50 2.07 -0.70 -3.38 116.25 114.00 1xhx h VAL 210 Ca -0.01 -2.09 -0.69 0.00 0.82 0.00 0.00 66.70 64.74 1xhx h VAL 210 Cb 1.22 2.41 -0.36 0.00 -1.52 0.00 0.00 31.29 33.03 1xhx h VAL 210 CO 0.13 0.63 -0.07 0.49 0.02 0.00 0.00 177.57 178.77 1xhx n PHE 211 N -4.07 3.33 -0.85 1.57 0.99 0.78 0.51 117.46 119.73 1xhx n PHE 211 Ca -0.10 -3.68 -0.32 0.00 -0.00 0.00 0.00 57.45 53.35 1xhx n PHE 211 Cb 0.74 -0.89 0.15 0.00 -1.00 0.00 0.00 39.48 38.49 1xhx n PHE 211 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1xhx n PRO 212 N 1.32 -0.20 -2.95 -1.08 -0.02 -1.22 -4.72 135.00 126.12 1xhx n PRO 212 Ca 0.27 0.02 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 1xhx n PRO 212 Cb 0.38 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.39 1xhx n PRO 212 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xhx s THR 213 N -2.43 4.35 0.18 3.45 2.01 -1.26 -4.76 115.64 117.17 1xhx s THR 213 Ca 0.70 1.68 0.06 0.00 0.31 0.00 0.00 61.69 64.44 1xhx s THR 213 Cb -0.26 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1xhx s THR 213 CO 0.55 0.41 0.11 -0.76 -0.69 0.00 0.00 174.62 174.24 1xhx s LEU 214 N -1.43 3.69 0.24 4.42 1.43 -1.26 -5.08 118.68 120.69 1xhx s LEU 214 Ca 0.40 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.00 1xhx s LEU 214 Cb -0.22 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.61 1xhx s LEU 214 CO 0.26 0.06 1.27 -0.94 0.23 0.00 0.00 176.35 177.23 1xhx s SER 215 N -3.14 6.94 0.43 2.29 1.04 -1.26 -4.79 113.70 115.21 1xhx s SER 215 Ca 0.30 2.43 0.28 0.00 0.48 0.00 0.00 55.95 59.44 1xhx s SER 215 Cb -0.10 -2.62 1.36 0.00 0.10 0.00 0.00 66.02 64.76 1xhx s SER 215 CO 0.22 -0.46 1.65 -0.07 0.98 0.00 0.00 173.24 175.57 1xhx h LEU 216 N 4.72 0.28 -0.31 2.42 3.38 -1.98 0.24 115.31 124.06 1xhx h LEU 216 Ca -0.46 0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1xhx h LEU 216 Cb 1.22 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1xhx h LEU 216 CO 0.73 -0.13 -0.10 1.23 0.09 0.00 0.00 178.44 180.27 1xhx h GLY 217 N 0.15 0.67 0.97 0.83 0.00 -1.99 -0.81 103.07 102.88 1xhx h GLY 217 Ca 0.77 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.47 1xhx h GLY 217 CO -0.39 0.52 -0.01 -2.00 0.00 0.00 0.00 176.54 174.65 1xhx h LEU 218 N 0.39 0.74 -1.38 3.11 5.85 -0.98 -2.73 115.31 120.31 1xhx h LEU 218 Ca 0.08 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1xhx h LEU 218 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1xhx h LEU 218 CO 0.03 0.87 -0.10 -0.78 -0.34 0.00 0.00 178.44 178.13 1xhx h ASP 219 N 0.59 0.27 -0.51 1.25 1.82 -1.02 -1.85 116.42 116.97 1xhx h ASP 219 Ca 0.12 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.61 1xhx h ASP 219 Cb 0.50 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 1xhx h ASP 219 CO 0.02 0.40 -0.04 0.50 -1.61 0.00 0.00 179.24 178.52 1xhx h LYS 220 N 0.27 0.97 -0.33 0.28 3.64 -0.87 -0.93 116.57 119.61 1xhx h LYS 220 Ca 0.06 -0.31 -0.17 0.00 -1.27 0.00 0.00 60.65 58.96 1xhx h LYS 220 Cb 0.35 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xhx h LYS 220 CO 0.02 0.98 -0.44 0.93 -2.27 0.00 0.00 179.45 178.67 1xhx h GLU 221 N 0.88 0.86 -0.60 1.90 5.08 -1.11 -3.01 114.58 118.59 1xhx h GLU 221 Ca 0.15 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1xhx h GLU 221 Cb 0.58 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1xhx h GLU 221 CO 0.03 1.12 0.08 0.28 -1.00 0.00 0.00 179.01 179.53 1xhx h VAL 222 N 0.69 1.26 -0.18 3.13 2.07 -1.22 -2.35 116.25 119.65 1xhx h VAL 222 Ca 0.04 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.59 1xhx h VAL 222 Cb 1.03 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1xhx h VAL 222 CO 0.10 0.38 0.20 -0.09 0.02 0.00 0.00 177.57 178.18 1xhx h ARG 223 N 0.91 0.00 0.00 1.57 9.65 -1.06 0.59 114.38 126.04 1xhx h ARG 223 Ca 0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.03 1xhx h ARG 223 Cb 0.44 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1xhx h ARG 223 CO 0.01 0.00 -0.13 1.88 2.80 0.00 0.00 179.97 184.54 1xhx h TYR 224 N 0.00 0.00 -0.28 2.20 0.99 -1.29 -2.49 116.97 116.11 1xhx h TYR 224 Ca 0.08 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1xhx h TYR 224 Cb 0.49 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1xhx h TYR 224 CO 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.29 1xhx n ALA 225 N -2.26 2.47 -2.13 3.88 0.00 0.20 -4.58 120.51 118.08 1xhx n ALA 225 Ca -0.02 -0.76 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 1xhx n ALA 225 Cb 0.26 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 1xhx n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xhx s TYR 226 N -1.65 3.75 0.20 0.00 5.04 -0.94 -4.71 117.35 119.05 1xhx s TYR 226 Ca 0.35 1.40 -0.09 0.00 -2.44 0.00 0.00 57.07 56.29 1xhx s TYR 226 Cb 0.20 -2.61 -0.01 0.00 0.35 0.00 0.00 41.96 39.89 1xhx s TYR 226 CO 0.29 0.45 0.34 1.03 -1.34 0.00 0.00 175.55 176.32 1xhx s ARG 227 N -1.54 1.31 0.00 4.97 1.81 -1.26 -5.08 118.95 119.16 1xhx s ARG 227 Ca 0.37 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 53.12 1xhx s ARG 227 Cb -0.19 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.71 1xhx s ARG 227 CO 0.22 -0.50 0.00 0.41 -0.68 0.00 0.00 175.30 174.75 1xhx n GLY 228 N -0.29 1.88 3.57 -3.53 0.00 -1.26 -4.84 105.19 100.73 1xhx n GLY 228 Ca -0.04 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 1xhx n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xhx s GLY 229 N -0.75 1.57 -0.46 -0.02 0.00 -1.26 -4.92 107.32 101.47 1xhx s GLY 229 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.43 1xhx s GLY 229 CO 0.00 0.53 0.41 -0.12 0.00 0.00 0.00 173.10 173.91 1xhx s PHE 230 N -2.64 3.22 -0.23 1.90 5.36 -1.26 -4.83 117.98 119.49 1xhx s PHE 230 Ca 0.67 -0.77 0.02 0.00 -0.96 0.00 0.00 56.93 55.89 1xhx s PHE 230 Cb -0.23 -3.07 0.04 0.00 -0.34 0.00 0.00 43.02 39.42 1xhx s PHE 230 CO 0.62 -0.78 -0.14 0.99 -1.46 0.00 0.00 175.22 174.45 1xhx s THR 231 N 1.80 2.18 -0.11 0.12 2.01 -1.26 0.01 115.64 120.39 1xhx s THR 231 Ca 0.06 -1.35 -0.06 0.00 0.31 0.00 0.00 61.69 60.65 1xhx s THR 231 Cb -0.22 -2.14 0.04 0.00 0.01 0.00 0.00 72.50 70.19 1xhx s THR 231 CO 0.08 0.19 0.26 0.86 -0.69 0.00 0.00 174.62 175.32 1xhx s TRP 232 N 1.18 -0.34 -0.22 4.92 -0.00 -0.39 -4.98 118.94 119.11 1xhx s TRP 232 Ca -0.03 0.80 -0.05 0.00 -0.00 0.00 0.00 56.10 56.81 1xhx s TRP 232 Cb -0.17 0.07 -0.02 0.00 -0.00 0.00 0.00 33.47 33.34 1xhx s TRP 232 CO -0.08 -0.23 0.01 -1.17 -0.00 0.00 0.00 176.95 175.49 1xhx s LEU 233 N 1.14 3.26 0.12 5.86 2.96 -1.26 -0.97 118.68 129.78 1xhx s LEU 233 Ca -0.08 -0.23 -0.31 0.00 -0.22 0.00 0.00 54.13 53.29 1xhx s LEU 233 Cb -0.09 -1.84 -0.10 0.00 0.50 0.00 0.00 46.19 44.66 1xhx s LEU 233 CO -0.08 0.03 1.76 0.21 -1.32 0.00 0.00 176.35 176.95 1xhx s ASN 234 N 1.23 6.48 0.40 3.68 3.84 -0.14 -4.87 114.94 125.55 1xhx s ASN 234 Ca 0.04 2.68 0.12 0.00 0.21 0.00 0.00 52.86 55.91 1xhx s ASN 234 Cb -0.15 -2.57 0.95 0.00 -0.55 0.00 0.00 41.25 38.94 1xhx s ASN 234 CO 0.01 -0.96 1.93 0.44 -2.79 0.00 0.00 177.10 175.73 1xhx h ASP 235 N 8.29 0.48 0.00 -4.21 3.32 -1.98 -1.31 116.42 121.02 1xhx h ASP 235 Ca -0.45 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1xhx h ASP 235 Cb 1.21 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1xhx h ASP 235 CO 0.94 0.27 0.25 -0.09 -1.72 0.00 0.00 179.24 178.89 1xhx h ARG 236 N 0.52 0.00 -0.00 3.56 2.43 -1.95 -1.58 114.38 117.36 1xhx h ARG 236 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1xhx h ARG 236 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1xhx h ARG 236 CO -0.12 0.00 -0.00 1.19 -1.51 0.00 0.00 179.97 179.52 1xhx n PHE 237 N -2.74 0.00 -1.58 2.20 3.01 -0.51 -4.98 117.46 112.87 1xhx n PHE 237 Ca -0.02 0.00 -0.50 0.00 1.01 0.00 0.00 57.45 57.94 1xhx n PHE 237 Cb 0.30 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 1xhx n PHE 237 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1xhx n LYS 238 N -0.01 1.53 -1.68 -1.08 4.81 -0.60 -1.82 118.16 119.32 1xhx n LYS 238 Ca 0.00 0.50 -0.16 0.00 -0.87 0.00 0.00 58.31 57.78 1xhx n LYS 238 Cb 0.02 -2.54 -0.05 0.00 0.02 0.00 0.00 35.03 32.47 1xhx n LYS 238 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1xhx n GLU 239 N 7.33 -1.15 -4.56 1.64 1.02 0.64 -5.01 120.64 120.56 1xhx n GLU 239 Ca 0.32 0.99 -0.34 0.00 -0.02 0.00 0.00 57.16 58.11 1xhx n GLU 239 Cb 0.26 -5.21 -0.12 0.00 -0.02 0.00 0.00 31.44 26.34 1xhx n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xhx s LYS 240 N -3.72 3.16 -0.05 3.49 1.02 -0.76 -4.96 119.74 117.93 1xhx s LYS 240 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1xhx s LYS 240 Cb 0.00 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1xhx s LYS 240 CO 0.00 0.46 1.15 -2.00 -0.92 0.00 0.00 175.35 174.04 1xhx s GLU 241 N -0.26 4.39 0.45 1.68 2.12 -1.26 -4.21 118.70 121.61 1xhx s GLU 241 Ca 0.04 1.61 0.05 0.00 0.36 0.00 0.00 54.97 57.03 1xhx s GLU 241 Cb -0.13 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 1xhx s GLU 241 CO 0.03 -0.37 0.04 0.96 -0.54 0.00 0.00 175.26 175.38 1xhx s ILE 242 N 1.95 1.72 0.00 -3.70 -4.36 0.42 -4.98 121.20 112.25 1xhx s ILE 242 Ca 0.54 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.99 1xhx s ILE 242 Cb -0.24 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.81 1xhx s ILE 242 CO 0.22 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.01 1xhx n GLY 243 N -1.14 1.27 3.76 6.27 0.00 -1.26 -2.13 105.19 111.97 1xhx n GLY 243 Ca -0.09 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 1xhx n GLY 243 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhx s GLU 244 N 2.02 3.65 0.34 1.61 2.02 -1.08 -3.41 118.70 123.86 1xhx s GLU 244 Ca 0.00 2.13 -0.17 0.00 0.02 0.00 0.00 54.97 56.95 1xhx s GLU 244 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.76 1xhx s GLU 244 CO 0.00 -0.74 0.84 0.20 0.02 0.00 0.00 175.26 175.58 1xhx s GLY 245 N -0.90 0.31 0.05 -1.39 0.00 -0.15 -1.61 107.32 103.63 1xhx s GLY 245 Ca 0.63 -0.65 -0.06 0.00 0.00 0.00 0.00 44.72 44.63 1xhx s GLY 245 CO 0.47 0.27 0.12 -3.16 0.00 0.00 0.00 173.10 170.79 1xhx s MET 246 N -2.31 0.67 -0.08 2.90 0.23 0.83 -0.47 119.30 121.07 1xhx s MET 246 Ca 0.17 -0.85 0.04 0.00 -1.03 0.00 0.00 55.69 54.02 1xhx s MET 246 Cb -0.05 0.27 -0.00 0.00 -1.53 0.00 0.00 34.83 33.52 1xhx s MET 246 CO 0.10 -0.18 -0.22 0.08 -2.03 0.00 0.00 175.02 172.77 1xhx s VAL 247 N -3.11 1.84 -0.05 5.16 1.01 0.02 -0.90 120.40 124.37 1xhx s VAL 247 Ca -0.01 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1xhx s VAL 247 Cb 0.02 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1xhx s VAL 247 CO -0.07 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 174.99 1xhx s PHE 248 N 0.27 2.57 -0.05 5.22 0.40 -0.18 -0.90 117.98 125.30 1xhx s PHE 248 Ca -0.14 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 1xhx s PHE 248 Cb -0.16 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1xhx s PHE 248 CO 0.06 0.02 -0.11 -0.51 0.70 0.00 0.00 175.22 175.38 1xhx s ASP 249 N -0.50 1.63 0.30 1.36 1.11 -0.42 -1.10 116.67 119.05 1xhx s ASP 249 Ca 0.06 -0.27 -0.29 0.00 0.18 0.00 0.00 52.55 52.23 1xhx s ASP 249 Cb -0.11 -0.68 -0.10 0.00 1.07 0.00 0.00 42.92 43.10 1xhx s ASP 249 CO 0.01 0.04 1.23 -0.69 1.18 0.00 0.00 175.17 176.94 1xhx s VAL 250 N 0.54 3.04 -0.73 -1.27 1.01 -0.09 -0.59 120.40 122.32 1xhx s VAL 250 Ca -0.11 1.03 -0.27 0.00 0.00 0.00 0.00 61.98 62.63 1xhx s VAL 250 Cb -0.14 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xhx s VAL 250 CO 0.03 0.24 1.29 0.20 0.00 0.00 0.00 175.10 176.86 1xhx s ASN 251 N -0.55 6.14 -0.63 3.32 0.01 -0.25 -4.12 114.94 118.87 1xhx s ASN 251 Ca 0.48 -0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 52.18 1xhx s ASN 251 Cb -0.37 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 38.74 1xhx s ASN 251 CO 0.47 -1.85 0.64 -1.20 -1.51 0.00 0.00 177.10 173.66 1xhx n SER 252 N 9.45 -7.55 0.00 -1.22 7.64 -1.26 -1.40 113.62 119.27 1xhx n SER 252 Ca 0.04 0.07 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 1xhx n SER 252 Cb 0.49 -5.12 -0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1xhx n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xhx h LEU 253 N 0.79 -0.07 0.16 -3.43 5.85 -1.96 -1.57 115.31 115.07 1xhx h LEU 253 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xhx h LEU 253 Cb 0.99 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1xhx h LEU 253 CO 0.26 -0.02 -0.18 1.88 -0.34 0.00 0.00 178.44 180.04 1xhx h TYR 254 N -0.03 -0.48 -0.72 1.25 -1.99 -1.94 -1.97 116.97 111.10 1xhx h TYR 254 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.92 1xhx h TYR 254 Cb 0.03 0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.91 1xhx h TYR 254 CO -0.41 -0.27 0.50 -1.35 -0.00 0.00 0.00 178.16 176.62 1xhx h PRO 255 N -0.38 0.15 -0.28 4.88 0.11 -1.85 -0.35 132.00 134.28 1xhx h PRO 255 Ca 0.01 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 1xhx h PRO 255 Cb 0.37 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1xhx h PRO 255 CO -0.06 0.10 -0.08 0.00 -0.21 0.00 0.00 178.00 177.75 1xhx h ALA 256 N 1.66 0.38 -0.63 -0.75 0.00 -0.55 -0.11 119.26 119.26 1xhx h ALA 256 Ca 0.35 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1xhx h ALA 256 Cb 1.15 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1xhx h ALA 256 CO -0.05 0.21 0.15 1.96 0.00 0.00 0.00 179.25 181.51 1xhx h GLN 257 N 0.30 1.01 -0.49 0.00 1.08 -0.60 -2.45 115.11 113.96 1xhx h GLN 257 Ca 0.07 -0.25 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 1xhx h GLN 257 Cb 0.56 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.83 1xhx h GLN 257 CO 0.03 0.92 0.18 0.52 -0.95 0.00 0.00 178.83 179.53 1xhx h MET 258 N 0.93 0.71 -0.12 1.46 2.86 -1.05 -0.30 114.93 119.42 1xhx h MET 258 Ca 0.20 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 1xhx h MET 258 Cb 0.37 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1xhx h MET 258 CO 0.00 0.60 -0.49 -0.92 1.06 0.00 0.00 176.91 177.17 1xhx h TYR 259 N 0.70 0.39 0.00 -0.22 5.03 -0.55 -3.39 116.97 118.93 1xhx h TYR 259 Ca 0.17 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1xhx h TYR 259 Cb 0.16 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1xhx h TYR 259 CO 0.01 0.74 0.00 -1.13 -1.32 0.00 0.00 178.16 176.46 1xhx n SER 260 N -3.97 0.03 -4.89 -2.11 3.41 -1.04 -4.69 113.62 100.35 1xhx n SER 260 Ca -0.02 -1.01 -0.29 0.00 -0.26 0.00 0.00 58.87 57.30 1xhx n SER 260 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1xhx n SER 260 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xhx s ARG 261 N -0.01 3.67 -0.23 4.33 1.81 -0.14 -4.94 118.95 123.44 1xhx s ARG 261 Ca 0.00 0.24 -0.29 0.00 -1.72 0.00 0.00 55.73 53.96 1xhx s ARG 261 Cb 0.00 -2.47 -0.02 0.00 -0.45 0.00 0.00 34.95 32.02 1xhx s ARG 261 CO 0.00 -0.00 1.47 -1.17 -0.68 0.00 0.00 175.30 174.92 1xhx s LEU 262 N -4.00 3.95 0.23 2.53 2.96 -1.26 -4.44 118.68 118.64 1xhx s LEU 262 Ca 0.48 1.53 0.11 0.00 -0.22 0.00 0.00 54.13 56.03 1xhx s LEU 262 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 1xhx s LEU 262 CO 0.34 -1.12 -0.21 -0.76 -1.32 0.00 0.00 176.35 173.29 1xhx s LEU 263 N 4.64 2.51 0.45 -0.68 1.43 -0.34 -4.91 118.68 121.77 1xhx s LEU 263 Ca 0.64 -0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 1xhx s LEU 263 Cb -0.22 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 1xhx s LEU 263 CO 0.25 0.05 0.80 -2.16 0.23 0.00 0.00 176.35 175.53 1xhx s PRO 264 N -3.09 3.70 0.08 1.29 0.04 -1.26 -1.10 135.00 134.67 1xhx s PRO 264 Ca 0.24 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 1xhx s PRO 264 Cb -0.06 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.21 1xhx s PRO 264 CO 0.11 -0.13 0.81 1.52 0.04 0.00 0.00 177.00 179.35 1xhx s TYR 265 N -2.55 -0.36 0.00 0.56 -0.85 -0.87 -4.71 117.35 108.58 1xhx s TYR 265 Ca 0.51 0.16 0.00 0.00 -0.52 0.00 0.00 57.07 57.21 1xhx s TYR 265 Cb -0.10 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1xhx s TYR 265 CO 0.37 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 174.09 1xhx n GLY 266 N -0.33 -2.27 3.70 5.49 0.00 0.18 -3.59 105.19 108.37 1xhx n GLY 266 Ca -0.10 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1xhx n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xhx s GLU 267 N -0.28 4.45 0.67 1.61 2.56 -1.26 -4.66 118.70 121.79 1xhx s GLU 267 Ca 0.00 1.17 -0.14 0.00 0.00 0.00 0.00 54.97 56.00 1xhx s GLU 267 Cb 0.00 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.64 1xhx s GLU 267 CO 0.00 -0.12 1.10 -2.14 -0.56 0.00 0.00 175.26 173.55 1xhx s PRO 268 N 1.35 2.77 -0.16 4.30 0.02 -1.26 -4.76 135.00 137.25 1xhx s PRO 268 Ca 0.44 1.33 0.01 0.00 0.02 0.00 0.00 61.00 62.81 1xhx s PRO 268 Cb -0.19 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.40 1xhx s PRO 268 CO 0.20 -1.27 -0.19 0.42 -0.33 0.00 0.00 177.00 175.84 1xhx s ILE 269 N -2.44 1.92 0.44 2.83 1.01 -0.71 -4.91 121.20 119.33 1xhx s ILE 269 Ca 0.66 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 60.23 1xhx s ILE 269 Cb -0.19 -1.74 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 1xhx s ILE 269 CO 0.43 0.52 1.01 -0.69 0.00 0.00 0.00 174.94 176.21 1xhx s VAL 270 N 1.24 4.00 0.10 2.92 1.01 -1.26 -0.56 120.40 127.85 1xhx s VAL 270 Ca 0.02 1.33 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 1xhx s VAL 270 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1xhx s VAL 270 CO -0.10 -0.19 0.25 0.72 0.00 0.00 0.00 175.10 175.78 1xhx s PHE 271 N -1.95 0.10 0.05 5.22 -0.12 -0.98 -4.93 117.98 115.38 1xhx s PHE 271 Ca 0.62 -0.50 0.03 0.00 -0.05 0.00 0.00 56.93 57.03 1xhx s PHE 271 Cb -0.15 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1xhx s PHE 271 CO 0.19 -0.60 0.01 -1.21 -0.05 0.00 0.00 175.22 173.56 1xhx s GLU 272 N -3.86 2.68 3.94 1.99 0.41 -1.26 -2.29 118.70 120.30 1xhx s GLU 272 Ca 0.06 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.89 1xhx s GLU 272 Cb 0.04 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1xhx s GLU 272 CO -0.10 0.58 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 1xhx n GLY 273 N 0.91 0.65 3.70 -1.39 0.00 0.20 -4.73 105.19 104.53 1xhx n GLY 273 Ca -0.12 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 1xhx n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xhx s LYS 274 N 0.00 4.39 0.38 1.61 2.20 -1.26 -3.90 119.74 123.15 1xhx s LYS 274 Ca 0.00 0.89 -0.24 0.00 -0.36 0.00 0.00 55.97 56.26 1xhx s LYS 274 Cb 0.00 -3.49 -0.13 0.00 -1.51 0.00 0.00 37.83 32.70 1xhx s LYS 274 CO 0.00 -0.05 0.68 0.98 -0.36 0.00 0.00 175.35 176.60 1xhx n TYR 275 N 4.22 0.02 -4.89 4.03 9.36 -1.26 -4.98 117.16 123.65 1xhx n TYR 275 Ca 0.00 0.65 -0.33 0.00 3.32 0.00 0.00 57.90 61.55 1xhx n TYR 275 Cb 0.51 -2.06 -0.15 0.00 -0.63 0.00 0.00 39.34 37.00 1xhx n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1xhx s VAL 276 N -1.33 2.81 0.06 2.97 1.01 -1.26 -5.07 120.40 119.59 1xhx s VAL 276 Ca 0.62 -0.75 -0.38 0.00 0.00 0.00 0.00 61.98 61.47 1xhx s VAL 276 Cb -0.65 -2.15 -0.18 0.00 0.00 0.00 0.00 36.38 33.41 1xhx s VAL 276 CO 0.58 0.54 1.25 1.87 0.00 0.00 0.00 175.10 179.34 1xhx n TRP 277 N 3.45 1.24 -3.54 5.22 -0.00 -1.26 -4.96 117.44 117.59 1xhx n TRP 277 Ca -0.18 0.77 -0.24 0.00 -0.00 0.00 0.00 57.50 57.84 1xhx n TRP 277 Cb 0.53 -2.26 -0.15 0.00 -0.00 0.00 0.00 31.31 29.43 1xhx n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xhx s ASP 278 N 0.32 2.46 0.46 5.87 -1.08 -1.26 -5.03 116.67 118.40 1xhx s ASP 278 Ca 0.86 -0.77 0.24 0.00 -0.52 0.00 0.00 52.55 52.36 1xhx s ASP 278 Cb -1.05 -0.06 1.25 0.00 -1.46 0.00 0.00 42.92 41.60 1xhx s ASP 278 CO 0.50 -0.38 1.83 1.05 0.52 0.00 0.00 175.17 178.69 1xhx h GLU 279 N 8.38 0.24 -0.00 4.34 4.11 -1.97 0.98 114.58 130.66 1xhx h GLU 279 Ca -0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1xhx h GLU 279 Cb 1.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1xhx h GLU 279 CO 0.34 0.16 -0.29 -0.25 0.07 0.00 0.00 179.01 179.05 1xhx n ASP 280 N -4.45 0.29 -3.19 3.06 8.00 -1.26 -4.08 116.55 114.93 1xhx n ASP 280 Ca 0.22 0.05 -0.22 0.00 0.71 0.00 0.00 54.79 55.55 1xhx n ASP 280 Cb 0.90 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.88 1xhx n ASP 280 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1xhx n TYR 281 N -1.49 0.52 -0.30 1.24 4.02 0.30 -4.22 117.16 117.24 1xhx n TYR 281 Ca 0.06 -3.75 0.05 0.00 -0.01 0.00 0.00 57.90 54.25 1xhx n TYR 281 Cb 0.34 -0.41 0.19 0.00 -0.02 0.00 0.00 39.34 39.44 1xhx n TYR 281 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xhx h PRO 282 N 3.51 0.72 -6.32 -0.72 0.11 -1.30 -3.40 132.00 124.60 1xhx h PRO 282 Ca 0.10 -0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.67 1xhx h PRO 282 Cb 0.87 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1xhx h PRO 282 CO 0.53 0.48 -0.31 -0.51 -0.21 0.00 0.00 178.00 177.98 1xhx s LEU 283 N -10.30 4.17 0.08 2.35 1.43 -1.20 -4.93 118.68 110.28 1xhx s LEU 283 Ca -0.12 0.33 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 1xhx s LEU 283 Cb 0.20 -3.14 0.08 0.00 0.03 0.00 0.00 46.19 43.37 1xhx s LEU 283 CO 0.78 -0.15 0.86 -1.38 0.23 0.00 0.00 176.35 176.70 1xhx s HIS 284 N -2.07 -0.30 -0.14 0.29 -3.43 -1.26 -1.33 115.29 107.06 1xhx s HIS 284 Ca 0.38 0.09 0.03 0.00 -0.80 0.00 0.00 55.06 54.75 1xhx s HIS 284 Cb -0.10 0.58 0.01 0.00 -1.43 0.00 0.00 32.58 31.64 1xhx s HIS 284 CO 0.32 -0.70 -0.22 0.42 -2.00 0.00 0.00 174.74 172.56 1xhx s ILE 285 N -3.29 2.06 -0.15 -5.38 1.01 -0.21 -1.22 121.20 114.02 1xhx s ILE 285 Ca 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 1xhx s ILE 285 Cb -0.01 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1xhx s ILE 285 CO -0.05 0.55 -0.04 -1.58 0.00 0.00 0.00 174.94 173.82 1xhx s GLN 286 N 0.76 3.60 -0.35 2.79 2.00 0.35 -1.39 119.66 127.42 1xhx s GLN 286 Ca -0.08 -0.52 -0.22 0.00 -2.00 0.00 0.00 55.36 52.53 1xhx s GLN 286 Cb -0.16 -2.89 0.01 0.00 0.80 0.00 0.00 33.01 30.77 1xhx s GLN 286 CO -0.01 0.28 0.73 -1.58 -0.50 0.00 0.00 175.29 174.22 1xhx s HIS 287 N 0.25 3.14 0.08 1.67 5.65 0.07 -1.36 115.29 124.78 1xhx s HIS 287 Ca -0.03 0.52 0.04 0.00 0.25 0.00 0.00 55.06 55.85 1xhx s HIS 287 Cb -0.14 -3.29 -0.03 0.00 -1.18 0.00 0.00 32.58 27.94 1xhx s HIS 287 CO 0.03 -0.67 -0.12 -1.50 -0.65 0.00 0.00 174.74 171.83 1xhx s ILE 288 N 2.95 1.00 -0.05 0.89 2.07 0.84 -1.49 121.20 127.40 1xhx s ILE 288 Ca 0.29 -1.43 0.03 0.00 -1.41 0.00 0.00 60.65 58.14 1xhx s ILE 288 Cb -0.14 -1.15 0.00 0.00 0.13 0.00 0.00 42.46 41.31 1xhx s ILE 288 CO 0.16 -0.38 -0.13 -0.13 -1.91 0.00 0.00 174.94 172.55 1xhx s ARG 289 N -2.16 1.57 0.00 3.50 0.52 -0.64 -0.89 118.95 120.85 1xhx s ARG 289 Ca 0.00 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 54.47 1xhx s ARG 289 Cb -0.07 -1.35 0.10 0.00 0.52 0.00 0.00 34.95 34.15 1xhx s ARG 289 CO 0.01 0.13 1.26 0.00 0.02 0.00 0.00 175.30 176.73 1xhx s GLU 291 N -2.11 1.99 0.06 0.00 2.02 -0.64 -0.18 118.70 119.85 1xhx s GLU 291 Ca 0.26 -1.30 -0.08 0.00 0.02 0.00 0.00 54.97 53.88 1xhx s GLU 291 Cb 0.00 -2.12 -0.00 0.00 0.10 0.00 0.00 34.13 32.11 1xhx s GLU 291 CO -0.01 0.43 0.15 -0.59 0.02 0.00 0.00 175.26 175.27 1xhx s PHE 292 N -1.69 0.15 -0.04 1.61 -0.12 -1.26 -1.16 117.98 115.48 1xhx s PHE 292 Ca 0.24 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.62 1xhx s PHE 292 Cb -0.09 -0.09 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 1xhx s PHE 292 CO 0.14 -0.45 0.04 -2.00 -0.05 0.00 0.00 175.22 172.91 1xhx s GLU 293 N -3.12 -0.01 0.16 1.99 2.56 -0.61 -2.11 118.70 117.56 1xhx s GLU 293 Ca -0.01 0.29 -0.32 0.00 0.00 0.00 0.00 54.97 54.94 1xhx s GLU 293 Cb 0.02 -0.46 -0.11 0.00 2.00 0.00 0.00 34.13 35.58 1xhx s GLU 293 CO -0.07 -0.27 1.79 -0.11 -0.56 0.00 0.00 175.26 176.04 1xhx n LEU 294 N 4.90 4.06 -4.77 2.70 7.94 0.18 -1.22 117.00 130.78 1xhx n LEU 294 Ca -0.12 1.02 -0.37 0.00 -1.11 0.00 0.00 56.01 55.42 1xhx n LEU 294 Cb 0.50 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.87 1xhx n LEU 294 CO 0.12 0.19 0.82 -0.54 -1.11 0.00 0.00 177.39 176.87 1xhx s LYS 295 N 2.06 3.97 0.19 1.96 1.02 0.01 -4.89 119.74 124.06 1xhx s LYS 295 Ca 0.79 1.76 -0.33 0.00 0.02 0.00 0.00 55.97 58.21 1xhx s LYS 295 Cb -0.49 -2.55 -0.13 0.00 -0.52 0.00 0.00 37.83 34.14 1xhx s LYS 295 CO 0.35 -0.37 1.58 -1.91 -0.92 0.00 0.00 175.35 174.08 1xhx n GLU 296 N -0.15 2.29 -1.04 1.68 4.07 -1.26 -2.32 120.64 123.90 1xhx n GLU 296 Ca 0.05 0.82 -0.01 0.00 -0.06 0.00 0.00 57.16 57.96 1xhx n GLU 296 Cb 0.48 -2.59 -0.01 0.00 -0.06 0.00 0.00 31.44 29.26 1xhx n GLU 296 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xhx n GLY 297 N 3.23 0.50 3.36 8.31 0.00 -1.26 -5.05 105.19 114.27 1xhx n GLY 297 Ca 0.15 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 1xhx n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 298 N -2.05 2.16 0.24 1.61 1.51 -0.98 -5.01 117.35 114.83 1xhx s TYR 298 Ca 0.00 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1xhx s TYR 298 Cb 0.00 -1.17 -0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1xhx s TYR 298 CO 0.00 0.29 0.94 0.42 -1.11 0.00 0.00 175.55 176.09 1xhx s ILE 299 N -1.08 4.08 0.53 2.71 1.01 -1.26 -4.87 121.20 122.31 1xhx s ILE 299 Ca 0.12 2.07 -0.20 0.00 0.00 0.00 0.00 60.65 62.64 1xhx s ILE 299 Cb -0.10 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1xhx s ILE 299 CO 0.05 0.48 1.14 -2.84 0.00 0.00 0.00 174.94 173.77 1xhx s PRO 300 N -1.23 3.44 0.00 2.79 0.02 -1.26 -4.94 135.00 133.82 1xhx s PRO 300 Ca 0.41 1.64 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1xhx s PRO 300 Cb -0.26 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1xhx s PRO 300 CO 0.31 -0.78 0.00 0.25 -0.33 0.00 0.00 177.00 176.45 1xhx n THR 301 N -1.14 0.00 -2.77 0.99 -2.24 -1.26 -4.97 114.28 102.89 1xhx n THR 301 Ca 0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.47 1xhx n THR 301 Cb 0.50 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1xhx n THR 301 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xhx s ILE 302 N -0.23 4.85 -0.11 2.28 1.01 -1.26 -4.97 121.20 122.77 1xhx s ILE 302 Ca 0.00 1.91 0.02 0.00 0.00 0.00 0.00 60.65 62.58 1xhx s ILE 302 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.23 1xhx s ILE 302 CO 0.00 0.08 -0.16 -1.58 0.00 0.00 0.00 174.94 173.28 1xhx s GLN 303 N 1.60 2.34 -0.08 2.79 0.74 -1.26 -1.37 119.66 124.43 1xhx s GLN 303 Ca 0.47 -0.61 -0.23 0.00 0.05 0.00 0.00 55.36 55.04 1xhx s GLN 303 Cb -0.19 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 31.92 1xhx s GLN 303 CO 0.20 -0.05 0.67 0.42 -0.55 0.00 0.00 175.29 175.98 1xhx s ILE 304 N 0.94 5.07 0.12 -2.34 -1.09 -1.26 -4.98 121.20 117.65 1xhx s ILE 304 Ca -0.07 1.37 -0.23 0.00 -2.23 0.00 0.00 60.65 59.48 1xhx s ILE 304 Cb -0.15 -4.01 -0.13 0.00 -1.58 0.00 0.00 42.46 36.59 1xhx s ILE 304 CO -0.01 0.26 0.48 0.29 -1.23 0.00 0.00 174.94 174.73 1xhx n LYS 305 N 3.81 0.00 -1.59 2.79 5.02 -1.26 -4.70 118.16 122.24 1xhx n LYS 305 Ca -0.02 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.90 1xhx n LYS 305 Cb 0.51 -0.84 0.06 0.00 -0.02 0.00 0.00 35.03 34.74 1xhx n LYS 305 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xhx n ARG 306 N 0.84 0.81 0.00 1.97 1.74 -1.26 -2.62 116.66 118.15 1xhx n ARG 306 Ca 0.14 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 1xhx n ARG 306 Cb 0.17 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1xhx n ARG 306 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xhx n SER 307 N -0.92 0.00 -3.89 0.55 3.41 -1.26 -4.87 113.62 106.64 1xhx n SER 307 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.32 1xhx n SER 307 Cb 0.48 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1xhx n SER 307 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xhx n ARG 308 N -1.77 3.54 0.00 4.33 1.74 -1.08 -4.89 116.66 118.53 1xhx n ARG 308 Ca 0.00 -3.46 0.00 0.00 -0.77 0.00 0.00 57.85 53.62 1xhx n ARG 308 Cb 0.00 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.47 1xhx n ARG 308 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1xhx n PHE 309 N 4.20 0.00 0.00 -1.55 3.01 -1.26 -4.57 117.46 117.29 1xhx n PHE 309 Ca 0.41 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1xhx n PHE 309 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 1xhx n PHE 309 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1xhx n TYR 310 N 0.00 -0.00 0.00 1.38 4.02 -1.26 -5.15 117.16 116.14 1xhx n TYR 310 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1xhx n TYR 310 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1xhx n TYR 310 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1xhx n LYS 311 N -0.77 0.00 0.00 -0.72 5.02 -1.26 -5.07 118.16 115.36 1xhx n LYS 311 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1xhx n LYS 311 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xhx n LYS 311 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xhx n GLY 312 N -2.00 1.22 2.17 0.72 0.00 -1.26 -4.54 105.19 101.50 1xhx n GLY 312 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1xhx n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xhx n ASN 313 N -0.02 6.51 -4.26 1.61 3.02 -1.26 -4.56 115.26 116.30 1xhx n ASN 313 Ca 0.00 -3.15 -0.24 0.00 -0.03 0.00 0.00 54.58 51.16 1xhx n ASN 313 Cb 0.00 -1.13 -0.13 0.00 -0.61 0.00 0.00 39.78 37.91 1xhx n ASN 313 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xhx s GLU 314 N -1.83 1.17 -0.25 3.52 2.12 -1.26 -5.05 118.70 117.11 1xhx s GLU 314 Ca 0.45 -1.06 -0.13 0.00 0.36 0.00 0.00 54.97 54.60 1xhx s GLU 314 Cb 0.32 -1.36 -0.05 0.00 0.26 0.00 0.00 34.13 33.30 1xhx s GLU 314 CO -0.10 0.33 0.26 0.71 -0.54 0.00 0.00 175.26 175.91 1xhx s TYR 315 N -1.04 3.28 0.25 5.30 1.51 -1.26 -4.53 117.35 120.85 1xhx s TYR 315 Ca 0.06 0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 56.12 1xhx s TYR 315 Cb -0.10 -2.42 -0.09 0.00 -0.11 0.00 0.00 41.96 39.25 1xhx s TYR 315 CO 0.03 -0.09 1.24 -0.51 -1.11 0.00 0.00 175.55 175.11 1xhx s LEU 316 N 1.57 4.46 0.15 -1.29 1.43 -0.47 -4.89 118.68 119.63 1xhx s LEU 316 Ca 0.11 2.41 0.20 0.00 -1.03 0.00 0.00 54.13 55.82 1xhx s LEU 316 Cb -0.15 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1xhx s LEU 316 CO 0.08 -0.40 0.96 0.11 0.23 0.00 0.00 176.35 177.33 1xhx h LYS 317 N 4.48 0.00 -2.01 1.70 1.57 -1.95 -3.42 116.57 116.93 1xhx h LYS 317 Ca -0.46 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1xhx h LYS 317 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 1xhx h LYS 317 CO 0.71 0.12 0.50 -1.54 -0.57 0.00 0.00 179.45 178.67 1xhx s SER 318 N -5.54 -0.38 0.00 0.86 1.04 -1.26 0.47 113.70 108.88 1xhx s SER 318 Ca -0.01 0.18 0.17 0.00 0.48 0.00 0.00 55.95 56.77 1xhx s SER 318 Cb 0.09 0.36 0.95 0.00 0.10 0.00 0.00 66.02 67.52 1xhx s SER 318 CO 0.80 -0.52 1.46 -1.54 0.98 0.00 0.00 173.24 174.42 1xhx n SER 319 N 0.16 0.00 -3.95 7.02 3.41 -0.90 -4.91 113.62 114.46 1xhx n SER 319 Ca -0.10 -0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 57.92 1xhx n SER 319 Cb 0.60 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1xhx n SER 319 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhx n GLY 320 N 0.11 -0.58 2.21 5.00 0.00 -1.26 -2.30 105.19 108.36 1xhx n GLY 320 Ca 0.11 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1xhx n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhx n GLY 321 N -2.00 2.69 3.88 -0.02 0.00 -1.26 -5.02 105.19 103.45 1xhx n GLY 321 Ca -0.20 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1xhx n GLY 321 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xhx s GLU 322 N 0.00 3.22 0.27 1.61 -1.05 -0.97 -5.09 118.70 116.68 1xhx s GLU 322 Ca 0.00 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 1xhx s GLU 322 Cb 0.00 -2.85 -0.09 0.00 -0.44 0.00 0.00 34.13 30.74 1xhx s GLU 322 CO 0.00 0.53 1.12 0.42 0.95 0.00 0.00 175.26 178.28 1xhx s ILE 323 N -1.68 3.45 -0.14 1.83 -1.09 -1.26 -4.73 121.20 117.57 1xhx s ILE 323 Ca 0.33 1.43 -0.06 0.00 -2.23 0.00 0.00 60.65 60.11 1xhx s ILE 323 Cb -0.11 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1xhx s ILE 323 CO 0.26 0.33 0.08 0.00 -1.23 0.00 0.00 174.94 174.38 1xhx s ALA 324 N -1.04 3.54 -0.32 9.38 0.00 0.75 -4.94 121.76 129.14 1xhx s ALA 324 Ca 0.46 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 1xhx s ALA 324 Cb -0.33 -1.86 0.05 0.00 0.00 0.00 0.00 23.12 20.99 1xhx s ALA 324 CO 0.41 0.40 0.06 0.34 0.00 0.00 0.00 175.76 176.97 1xhx s ASP 325 N -0.32 5.07 0.10 0.00 -1.08 -1.26 -1.46 116.67 117.71 1xhx s ASP 325 Ca 0.09 -1.32 0.05 0.00 -0.52 0.00 0.00 52.55 50.85 1xhx s ASP 325 Cb -0.12 -1.77 -0.03 0.00 -1.46 0.00 0.00 42.92 39.53 1xhx s ASP 325 CO 0.01 -0.31 -0.13 -0.76 0.52 0.00 0.00 175.17 174.50 1xhx s LEU 326 N 1.29 2.36 -0.27 -1.34 1.43 -0.07 -5.01 118.68 117.07 1xhx s LEU 326 Ca -0.03 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 1xhx s LEU 326 Cb -0.20 -0.48 0.07 0.00 0.03 0.00 0.00 46.19 45.61 1xhx s LEU 326 CO -0.00 -0.15 -0.05 0.26 0.23 0.00 0.00 176.35 176.63 1xhx s TRP 327 N -1.94 3.02 0.07 0.29 0.52 -1.26 -0.12 118.94 119.53 1xhx s TRP 327 Ca 0.05 -2.25 0.09 0.00 0.02 0.00 0.00 56.10 54.01 1xhx s TRP 327 Cb -0.06 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 1xhx s TRP 327 CO 0.02 -0.86 -0.25 -0.51 0.02 0.00 0.00 176.95 175.37 1xhx s LEU 328 N 1.18 2.21 0.80 2.99 1.43 -0.47 -3.76 118.68 123.06 1xhx s LEU 328 Ca -0.04 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 1xhx s LEU 328 Cb -0.19 -1.17 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1xhx s LEU 328 CO -0.07 0.20 1.09 -0.94 0.23 0.00 0.00 176.35 176.86 1xhx s SER 329 N -1.47 4.37 0.50 2.29 1.04 -1.26 -0.49 113.70 118.68 1xhx s SER 329 Ca 0.11 1.60 0.27 0.00 0.48 0.00 0.00 55.95 58.40 1xhx s SER 329 Cb -0.10 -2.33 1.32 0.00 0.10 0.00 0.00 66.02 65.01 1xhx s SER 329 CO 0.03 -2.08 2.01 -0.55 0.98 0.00 0.00 173.24 173.63 1xhx h ASN 330 N -1.16 0.00 -0.19 7.02 -1.07 -1.57 -1.27 115.58 117.34 1xhx h ASN 330 Ca -0.46 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.82 1xhx h ASN 330 Cb 1.25 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1xhx h ASN 330 CO 0.55 0.15 -0.26 0.58 0.07 0.00 0.00 177.43 178.52 1xhx h VAL 331 N 0.00 1.34 -0.36 6.14 2.07 -1.91 -1.76 116.25 121.77 1xhx h VAL 331 Ca -0.00 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 65.96 1xhx h VAL 331 Cb 0.44 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1xhx h VAL 331 CO 0.02 0.44 -0.20 0.44 0.02 0.00 0.00 177.57 178.29 1xhx h ASP 332 N 0.16 0.68 0.22 0.57 3.32 -1.80 -2.45 116.42 117.12 1xhx h ASP 332 Ca 0.02 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.67 1xhx h ASP 332 Cb 0.83 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1xhx h ASP 332 CO 0.06 0.88 -0.66 0.25 -1.72 0.00 0.00 179.24 178.05 1xhx h LEU 333 N 0.60 0.47 -0.42 1.55 5.85 -1.24 -0.70 115.31 121.42 1xhx h LEU 333 Ca 0.09 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1xhx h LEU 333 Cb 0.67 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1xhx h LEU 333 CO 0.05 1.00 0.06 -0.33 -0.34 0.00 0.00 178.44 178.88 1xhx h GLU 334 N 0.29 0.70 -0.64 1.25 5.08 -1.21 -2.05 114.58 118.00 1xhx h GLU 334 Ca -0.02 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1xhx h GLU 334 Cb 1.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1xhx h GLU 334 CO 0.11 0.75 0.09 1.25 -1.00 0.00 0.00 179.01 180.21 1xhx h LEU 335 N 0.56 1.03 -0.81 1.33 5.85 -1.34 -2.66 115.31 119.27 1xhx h LEU 335 Ca 0.13 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xhx h LEU 335 Cb 0.39 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1xhx h LEU 335 CO 0.01 1.04 0.38 -0.03 -0.34 0.00 0.00 178.44 179.50 1xhx h MET 336 N 0.99 1.18 0.00 1.25 4.05 -0.94 -2.04 114.93 119.41 1xhx h MET 336 Ca 0.19 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1xhx h MET 336 Cb 0.46 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1xhx h MET 336 CO 0.02 0.92 -0.33 0.87 0.23 0.00 0.00 176.91 178.61 1xhx h LYS 337 N 1.16 0.00 0.03 0.39 1.57 -1.24 0.48 116.57 118.96 1xhx h LYS 337 Ca 0.28 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.82 1xhx h LYS 337 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1xhx h LYS 337 CO -0.03 0.33 -1.02 1.49 -0.57 0.00 0.00 179.45 179.65 1xhx h GLU 338 N 0.00 0.43 0.00 3.15 4.81 -1.10 -3.35 114.58 118.52 1xhx h GLU 338 Ca -0.00 -0.50 -0.18 0.00 -0.13 0.00 0.00 59.36 58.54 1xhx h GLU 338 Cb 0.86 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1xhx h GLU 338 CO 0.04 1.16 -1.54 0.72 -0.73 0.00 0.00 179.01 178.66 1xhx n HIS 339 N -3.72 0.86 -4.52 0.92 8.25 -0.81 -4.96 115.22 111.24 1xhx n HIS 339 Ca -0.08 0.29 -0.25 0.00 -0.26 0.00 0.00 57.72 57.42 1xhx n HIS 339 Cb 0.88 -1.06 -0.10 0.00 1.12 0.00 0.00 29.99 30.83 1xhx n HIS 339 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xhx s TYR 340 N -2.90 2.33 -0.19 4.41 1.51 0.17 -0.81 117.35 121.87 1xhx s TYR 340 Ca -0.04 -0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 55.46 1xhx s TYR 340 Cb 0.09 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1xhx s TYR 340 CO 0.82 0.58 0.06 -0.51 -1.11 0.00 0.00 175.55 175.39 1xhx s ASP 341 N -3.57 5.55 -0.06 2.29 1.01 -0.36 -4.54 116.67 116.99 1xhx s ASP 341 Ca 0.32 0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.58 1xhx s ASP 341 Cb 0.01 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1xhx s ASP 341 CO 0.16 0.14 0.09 -0.76 0.21 0.00 0.00 175.17 175.01 1xhx s LEU 342 N 0.55 4.04 0.06 1.23 1.43 -1.26 -1.58 118.68 123.15 1xhx s LEU 342 Ca 0.03 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1xhx s LEU 342 Cb -0.13 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1xhx s LEU 342 CO 0.01 0.34 -0.06 -0.31 0.23 0.00 0.00 176.35 176.56 1xhx s TYR 343 N -1.08 0.67 -1.25 0.29 1.51 -0.31 -4.88 117.35 112.30 1xhx s TYR 343 Ca 0.18 -0.68 -0.23 0.00 -1.01 0.00 0.00 57.07 55.34 1xhx s TYR 343 Cb -0.12 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1xhx s TYR 343 CO 0.08 -0.14 0.61 0.09 -1.11 0.00 0.00 175.55 175.08 1xhx n ASN 344 N 0.91 -3.44 -4.79 2.29 3.02 -1.26 -1.62 115.26 110.37 1xhx n ASN 344 Ca -0.19 -1.18 -0.39 0.00 -0.03 0.00 0.00 54.58 52.79 1xhx n ASN 344 Cb 0.57 -2.35 -0.06 0.00 -0.61 0.00 0.00 39.78 37.33 1xhx n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xhx s VAL 345 N -3.66 4.65 -0.22 2.41 1.01 -1.26 -4.22 120.40 119.11 1xhx s VAL 345 Ca 0.37 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 1xhx s VAL 345 Cb -0.18 -4.00 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1xhx s VAL 345 CO 0.93 0.51 0.06 -0.70 0.00 0.00 0.00 175.10 175.90 1xhx s GLU 346 N -0.88 0.60 -0.41 2.72 2.12 0.73 -4.99 118.70 118.59 1xhx s GLU 346 Ca 0.32 -0.53 -0.27 0.00 0.36 0.00 0.00 54.97 54.85 1xhx s GLU 346 Cb -0.20 -2.00 0.02 0.00 0.26 0.00 0.00 34.13 32.21 1xhx s GLU 346 CO 0.21 -0.74 0.99 0.71 -0.54 0.00 0.00 175.26 175.90 1xhx s TYR 347 N 1.85 3.00 0.00 5.30 1.51 -1.26 -1.62 117.35 126.13 1xhx s TYR 347 Ca 0.02 0.73 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 1xhx s TYR 347 Cb -0.17 -3.89 0.00 0.00 -0.11 0.00 0.00 41.96 37.79 1xhx s TYR 347 CO -0.13 -0.97 0.00 -0.89 -1.11 0.00 0.00 175.55 172.44 1xhx n ILE 348 N 6.25 0.00 -2.66 2.71 5.41 -0.56 -4.03 119.36 126.48 1xhx n ILE 348 Ca 0.09 0.31 0.00 0.00 1.00 0.00 0.00 62.75 64.14 1xhx n ILE 348 Cb 0.48 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 1xhx n ILE 348 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1xhx n SER 349 N -1.51 0.00 0.00 4.38 3.41 -1.23 0.59 113.62 119.27 1xhx n SER 349 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1xhx n SER 349 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1xhx n SER 349 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xhx n GLY 350 N 0.00 -1.40 2.88 5.00 0.00 -0.97 -0.76 105.19 109.94 1xhx n GLY 350 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1xhx n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhx s LEU 351 N 0.00 1.66 0.15 0.99 1.43 -0.49 -2.31 118.68 120.12 1xhx s LEU 351 Ca 0.00 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 1xhx s LEU 351 Cb 0.00 -0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 1xhx s LEU 351 CO 0.00 -0.02 0.16 -0.54 0.23 0.00 0.00 176.35 176.18 1xhx s LYS 352 N 0.38 3.01 0.01 1.70 1.02 0.28 -1.05 119.74 125.09 1xhx s LYS 352 Ca -0.04 -0.80 -0.04 0.00 0.02 0.00 0.00 55.97 55.11 1xhx s LYS 352 Cb -0.06 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1xhx s LYS 352 CO -0.01 0.50 0.07 -0.06 -0.92 0.00 0.00 175.35 174.93 1xhx s PHE 353 N -1.72 0.15 0.47 3.18 0.40 -0.44 -1.74 117.98 118.28 1xhx s PHE 353 Ca 0.32 -0.34 -0.19 0.00 -0.60 0.00 0.00 56.93 56.11 1xhx s PHE 353 Cb -0.10 -0.12 -0.09 0.00 0.51 0.00 0.00 43.02 43.21 1xhx s PHE 353 CO 0.24 -0.27 0.98 0.15 0.70 0.00 0.00 175.22 177.02 1xhx s LYS 354 N -1.64 4.04 0.03 0.44 1.02 -1.24 -2.85 119.74 119.56 1xhx s LYS 354 Ca -0.13 1.11 -0.03 0.00 0.02 0.00 0.00 55.97 56.93 1xhx s LYS 354 Cb -0.07 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1xhx s LYS 354 CO -0.00 -0.19 0.05 0.00 -0.92 0.00 0.00 175.35 174.28 1xhx s ALA 355 N -2.29 0.05 0.17 5.17 0.00 -1.26 -2.05 121.76 121.55 1xhx s ALA 355 Ca 0.62 -0.62 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1xhx s ALA 355 Cb -0.11 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1xhx s ALA 355 CO 0.20 -0.27 0.21 -0.08 0.00 0.00 0.00 175.76 175.82 1xhx s THR 356 N -2.38 0.06 -0.29 0.00 -1.32 -0.26 -4.89 115.64 106.55 1xhx s THR 356 Ca -0.07 -1.66 0.03 0.00 -1.21 0.00 0.00 61.69 58.77 1xhx s THR 356 Cb -0.03 -2.07 0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1xhx s THR 356 CO -0.04 -0.25 0.72 0.35 -2.21 0.00 0.00 174.62 173.19 1xhx n THR 357 N -0.21 0.29 -0.63 5.08 -2.24 -1.26 -1.20 114.28 114.11 1xhx n THR 357 Ca -0.04 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.17 1xhx n THR 357 Cb 0.64 0.89 0.23 0.00 -2.10 0.00 0.00 70.33 69.99 1xhx n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhx n GLY 358 N 0.03 3.40 0.23 3.38 0.00 -1.26 -4.58 105.19 106.39 1xhx n GLY 358 Ca 0.02 -0.75 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 1xhx n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xhx h LEU 359 N 2.10 0.35 -1.09 0.99 3.38 -1.87 -3.33 115.31 115.85 1xhx h LEU 359 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1xhx h LEU 359 Cb 1.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xhx h LEU 359 CO 0.14 0.61 -0.03 0.49 0.09 0.00 0.00 178.44 179.74 1xhx n PHE 360 N -4.14 0.00 -0.20 1.13 3.01 -1.26 -4.79 117.46 111.21 1xhx n PHE 360 Ca -0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.47 1xhx n PHE 360 Cb 0.38 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.97 1xhx n PHE 360 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xhx h LYS 361 N 1.04 0.23 -0.43 -1.08 1.57 -1.83 -0.48 116.57 115.60 1xhx h LYS 361 Ca 0.00 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1xhx h LYS 361 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1xhx h LYS 361 CO 0.00 0.15 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.39 1xhx h ASP 362 N 0.24 0.93 -0.22 0.86 3.32 -1.86 0.13 116.42 119.81 1xhx h ASP 362 Ca 0.32 -0.40 0.02 0.00 0.02 0.00 0.00 57.03 56.99 1xhx h ASP 362 Cb 0.50 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1xhx h ASP 362 CO -0.43 1.13 0.10 0.15 -1.72 0.00 0.00 179.24 178.46 1xhx h PHE 363 N 0.73 0.18 -0.40 4.55 3.57 -1.74 -1.16 116.94 122.66 1xhx h PHE 363 Ca 0.10 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1xhx h PHE 363 Cb 0.77 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1xhx h PHE 363 CO 0.06 0.10 0.06 0.82 -2.23 0.00 0.00 178.31 177.11 1xhx h ILE 364 N 0.21 1.24 0.14 1.41 2.04 -1.01 -2.67 117.51 118.88 1xhx h ILE 364 Ca 0.09 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1xhx h ILE 364 Cb 0.04 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1xhx h ILE 364 CO -0.07 0.31 -0.12 0.44 0.00 0.00 0.00 178.15 178.70 1xhx h ASP 365 N 0.52 -0.32 -0.01 1.72 3.32 -0.77 0.33 116.42 121.20 1xhx h ASP 365 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xhx h ASP 365 Cb 0.39 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xhx h ASP 365 CO 0.01 -0.19 -0.03 0.50 -1.72 0.00 0.00 179.24 177.81 1xhx h LYS 366 N -0.28 -0.03 0.00 3.56 3.64 -1.17 0.18 116.57 122.47 1xhx h LYS 366 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xhx h LYS 366 Cb 0.26 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1xhx h LYS 366 CO -0.02 -0.02 -0.04 -1.49 -2.27 0.00 0.00 179.45 175.61 1xhx h TRP 367 N -0.03 0.00 -0.21 1.91 4.06 -1.48 -1.37 115.95 118.83 1xhx h TRP 367 Ca 0.00 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 1xhx h TRP 367 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1xhx h TRP 367 CO -0.50 0.04 -0.53 1.15 -3.56 0.00 0.00 178.44 175.04 1xhx h THR 368 N 0.00 1.31 0.03 1.49 2.02 -0.56 0.92 112.91 118.12 1xhx h THR 368 Ca -0.00 -1.74 0.02 0.00 0.77 0.00 0.00 66.41 65.46 1xhx h THR 368 Cb 0.07 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1xhx h THR 368 CO 0.00 0.55 -0.19 0.22 0.37 0.00 0.00 175.52 176.47 1xhx h TYR 369 N 0.44 -0.51 -0.69 3.16 3.20 0.28 0.25 116.97 123.09 1xhx h TYR 369 Ca -0.01 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1xhx h TYR 369 Cb 1.14 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.58 1xhx h TYR 369 CO 0.09 -0.28 0.39 0.82 -1.64 0.00 0.00 178.16 177.53 1xhx h ILE 370 N -0.33 0.96 -0.65 1.81 2.04 -1.20 -0.52 117.51 119.62 1xhx h ILE 370 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1xhx h ILE 370 Cb 0.39 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 1xhx h ILE 370 CO -0.16 0.13 0.38 0.50 0.00 0.00 0.00 178.15 179.00 1xhx h LYS 371 N 0.70 0.88 -0.07 2.37 3.11 0.21 -2.31 116.57 121.46 1xhx h LYS 371 Ca 0.31 -0.08 -0.22 0.00 -2.81 0.00 0.00 60.65 57.86 1xhx h LYS 371 Cb 0.21 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 1xhx h LYS 371 CO -0.19 0.63 -0.84 1.15 -2.81 0.00 0.00 179.45 177.39 1xhx h THR 372 N 0.90 1.34 -0.82 1.00 2.02 0.52 -3.30 112.91 114.56 1xhx h THR 372 Ca 0.23 -2.18 -0.36 0.00 0.77 0.00 0.00 66.41 64.87 1xhx h THR 372 Cb -0.02 2.18 -0.22 0.00 -1.74 0.00 0.00 68.15 68.35 1xhx h THR 372 CO -0.04 0.67 0.43 0.35 0.37 0.00 0.00 175.52 177.29 1xhx n THR 373 N -3.85 3.03 -4.27 3.16 -2.24 -0.31 -4.96 114.28 104.85 1xhx n THR 373 Ca -0.07 -1.91 -0.15 0.00 -2.27 0.00 0.00 64.05 59.66 1xhx n THR 373 Cb 0.77 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1xhx n THR 373 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xhx s SER 374 N -1.35 0.77 0.23 3.42 0.01 -0.90 -5.00 113.70 110.87 1xhx s SER 374 Ca 0.55 -1.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.32 1xhx s SER 374 Cb 0.46 0.27 -0.02 0.00 0.21 0.00 0.00 66.02 66.94 1xhx s SER 374 CO 0.11 -0.79 0.35 -1.61 0.41 0.00 0.00 173.24 171.71 1xhx s GLU 375 N -4.07 1.41 6.89 12.44 0.41 -1.26 -4.70 118.70 129.82 1xhx s GLU 375 Ca 0.38 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.57 1xhx s GLU 375 Cb 0.07 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.82 1xhx s GLU 375 CO 0.13 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 174.76 1xhx n GLY 376 N -0.34 3.02 0.08 -1.39 0.00 -1.26 -3.34 105.19 101.96 1xhx n GLY 376 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1xhx n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhx h ALA 377 N -0.89 -0.07 -0.66 4.61 0.00 -1.66 -2.54 119.26 118.04 1xhx h ALA 377 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1xhx h ALA 377 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1xhx h ALA 377 CO 0.00 -0.54 0.24 0.82 0.00 0.00 0.00 179.25 179.76 1xhx h ILE 378 N -0.08 0.71 -0.01 0.00 1.08 -1.90 -1.00 117.51 116.31 1xhx h ILE 378 Ca 0.00 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1xhx h ILE 378 Cb 0.08 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 34.11 1xhx h ILE 378 CO -0.01 0.07 0.00 0.50 -0.69 0.00 0.00 178.15 178.02 1xhx h LYS 379 N 0.40 0.01 -0.82 2.37 3.64 -1.52 -2.24 116.57 118.41 1xhx h LYS 379 Ca 0.35 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1xhx h LYS 379 Cb 0.48 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 1xhx h LYS 379 CO -0.36 0.09 0.50 1.96 -2.27 0.00 0.00 179.45 179.37 1xhx h GLN 380 N -0.06 1.11 -0.04 1.90 1.08 -1.01 -1.97 115.11 116.12 1xhx h GLN 380 Ca 0.00 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 1xhx h GLN 380 Cb 0.08 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 1xhx h GLN 380 CO -0.00 0.77 -0.43 -0.07 -0.95 0.00 0.00 178.83 178.15 1xhx h LEU 381 N 1.13 0.09 -0.57 1.46 3.38 -1.02 -0.96 115.31 118.82 1xhx h LEU 381 Ca 0.30 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 1xhx h LEU 381 Cb -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xhx h LEU 381 CO -0.06 0.51 -0.52 0.00 0.09 0.00 0.00 178.44 178.46 1xhx h ALA 382 N 1.49 0.75 -0.45 1.53 0.00 -0.85 -0.10 119.26 121.64 1xhx h ALA 382 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1xhx h ALA 382 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1xhx h ALA 382 CO 0.06 0.68 0.05 0.87 0.00 0.00 0.00 179.25 180.91 1xhx h LYS 383 N 0.40 0.75 -0.73 0.00 1.57 -0.87 -1.74 116.57 115.95 1xhx h LYS 383 Ca 0.01 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1xhx h LYS 383 Cb 1.05 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.24 1xhx h LYS 383 CO 0.10 0.79 0.48 1.25 -0.57 0.00 0.00 179.45 181.49 1xhx h LEU 384 N 0.61 0.82 -0.29 2.94 5.85 -0.92 0.43 115.31 124.74 1xhx h LEU 384 Ca 0.13 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xhx h LEU 384 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1xhx h LEU 384 CO 0.01 0.59 0.16 0.24 -0.34 0.00 0.00 178.44 179.11 1xhx h MET 385 N 0.97 0.33 -0.34 1.25 2.86 -0.73 -1.04 114.93 118.23 1xhx h MET 385 Ca 0.27 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.74 1xhx h MET 385 Cb -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1xhx h MET 385 CO -0.07 0.22 -0.39 -0.07 1.06 0.00 0.00 176.91 177.66 1xhx h LEU 386 N 0.34 0.89 -0.08 1.22 3.38 -0.85 -3.24 115.31 116.96 1xhx h LEU 386 Ca 0.12 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1xhx h LEU 386 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1xhx h LEU 386 CO -0.06 1.17 -0.07 0.59 0.09 0.00 0.00 178.44 180.16 1xhx n ASN 387 N -4.05 0.19 -0.46 -0.43 3.02 0.15 -3.93 115.26 109.76 1xhx n ASN 387 Ca -0.02 -0.18 0.05 0.00 -0.03 0.00 0.00 54.58 54.40 1xhx n ASN 387 Cb 0.54 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1xhx n ASN 387 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xhx n SER 388 N -1.23 2.07 0.03 6.41 7.64 -0.41 -4.68 113.62 123.45 1xhx n SER 388 Ca 0.12 -1.55 -0.19 0.00 1.01 0.00 0.00 58.87 58.26 1xhx n SER 388 Cb 0.28 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 1xhx n SER 388 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xhx h LEU 389 N 2.04 0.81 -0.61 -3.43 5.85 -1.68 -3.36 115.31 114.93 1xhx h LEU 389 Ca 0.00 -0.74 0.02 0.00 0.84 0.00 0.00 57.88 58.00 1xhx h LEU 389 Cb 0.49 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1xhx h LEU 389 CO 0.00 1.45 0.39 0.10 -0.34 0.00 0.00 178.44 180.04 1xhx h TYR 390 N 0.26 0.74 -0.97 1.25 -0.00 -1.83 -3.05 116.97 113.37 1xhx h TYR 390 Ca -0.11 0.02 0.09 0.00 0.00 0.00 0.00 58.73 58.73 1xhx h TYR 390 Cb 1.58 -0.25 -0.07 0.00 0.00 0.00 0.00 36.73 37.99 1xhx h TYR 390 CO 0.11 0.45 0.62 0.78 -0.00 0.00 0.00 178.16 180.12 1xhx h GLY 391 N 0.79 1.49 0.98 0.10 0.00 -1.88 -2.82 103.07 101.74 1xhx h GLY 391 Ca 0.23 -0.43 0.15 0.00 0.00 0.00 0.00 47.33 47.28 1xhx h GLY 391 CO -0.07 0.24 0.37 0.50 0.00 0.00 0.00 176.54 177.58 1xhx h LYS 392 N 1.03 0.00 0.00 4.80 1.79 -1.69 -1.95 116.57 120.55 1xhx h LYS 392 Ca 0.45 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.83 1xhx h LYS 392 Cb 0.34 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1xhx h LYS 392 CO -0.20 0.00 -0.42 0.74 -1.08 0.00 0.00 179.45 178.49 1xhx h PHE 393 N 0.00 0.00 -3.24 -1.35 -1.00 -1.65 -3.38 116.94 106.32 1xhx h PHE 393 Ca 0.24 0.00 -0.74 0.00 2.81 0.00 0.00 57.97 60.29 1xhx h PHE 393 Cb 0.97 0.00 -0.27 0.00 3.61 0.00 0.00 35.95 40.26 1xhx h PHE 393 CO -0.00 0.42 -0.34 0.00 -1.61 0.00 0.00 178.31 176.78 1xhx s ALA 394 N -3.97 3.48 -0.08 2.45 0.00 -0.73 -3.59 121.76 119.32 1xhx s ALA 394 Ca -0.02 -2.51 -0.01 0.00 0.00 0.00 0.00 51.96 49.42 1xhx s ALA 394 Cb 0.13 -2.97 0.03 0.00 0.00 0.00 0.00 23.12 20.32 1xhx s ALA 394 CO 0.72 -1.93 0.01 -1.54 0.00 0.00 0.00 175.76 173.02 1xhx s SER 395 N 2.95 1.62 -0.64 0.00 1.04 -1.26 -4.96 113.70 112.44 1xhx s SER 395 Ca 0.05 -0.11 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 1xhx s SER 395 Cb -0.27 -0.43 -0.12 0.00 0.10 0.00 0.00 66.02 65.30 1xhx s SER 395 CO 0.01 -0.20 2.45 -3.20 0.98 0.00 0.00 173.24 173.27 1xhx n ASN 396 N 5.15 1.77 -0.44 7.02 4.05 -1.26 -4.80 115.26 126.76 1xhx n ASN 396 Ca -0.07 -0.62 0.40 0.00 0.45 0.00 0.00 54.58 54.74 1xhx n ASN 396 Cb 0.50 -1.47 0.75 0.00 1.23 0.00 0.00 39.78 40.80 1xhx n ASN 396 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1xhx h PRO 397 N 16.85 0.03 -5.75 1.20 0.11 -1.96 -3.34 132.00 139.15 1xhx h PRO 397 Ca -0.15 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.59 1xhx h PRO 397 Cb 1.22 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1xhx h PRO 397 CO 1.18 0.02 0.97 0.34 -0.21 0.00 0.00 178.00 180.30 1xhx s ASP 398 N -4.78 5.43 -1.19 -2.05 -1.08 -1.26 -0.35 116.67 111.38 1xhx s ASP 398 Ca -0.05 -1.03 -0.12 0.00 -0.52 0.00 0.00 52.55 50.83 1xhx s ASP 398 Cb 0.25 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 39.34 1xhx s ASP 398 CO 0.83 -2.52 1.40 0.52 0.52 0.00 0.00 175.17 175.92 1xhx n VAL 399 N 7.64 4.37 -4.00 1.11 0.31 -0.64 -4.91 118.33 122.21 1xhx n VAL 399 Ca 0.40 -4.90 -0.32 0.00 -0.01 0.00 0.00 64.34 59.52 1xhx n VAL 399 Cb 0.48 -2.48 -0.15 0.00 -0.91 0.00 0.00 33.84 30.78 1xhx n VAL 399 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xhx s THR 400 N 0.68 2.40 0.04 2.52 2.01 -1.26 -3.98 115.64 118.05 1xhx s THR 400 Ca 0.40 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 60.20 1xhx s THR 400 Cb -0.03 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1xhx s THR 400 CO -0.01 -0.52 0.02 0.61 -0.69 0.00 0.00 174.62 174.02 1xhx n GLY 401 N 4.32 3.53 3.78 4.40 0.00 -1.24 -3.52 105.19 116.46 1xhx n GLY 401 Ca 0.01 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 1xhx n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhx s LYS 402 N -2.16 3.24 -0.14 1.61 1.02 -1.12 -1.99 119.74 120.21 1xhx s LYS 402 Ca 0.01 1.41 0.02 0.00 0.02 0.00 0.00 55.97 57.44 1xhx s LYS 402 Cb -0.00 -2.01 0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1xhx s LYS 402 CO 0.01 -0.90 -0.20 0.08 -0.92 0.00 0.00 175.35 173.42 1xhx s VAL 403 N -2.13 1.90 0.42 3.17 1.01 -0.07 -4.53 120.40 120.18 1xhx s VAL 403 Ca 0.68 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 1xhx s VAL 403 Cb -0.20 -1.70 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1xhx s VAL 403 CO 0.33 0.52 1.42 -2.65 0.00 0.00 0.00 175.10 174.71 1xhx n PRO 404 N 4.25 2.30 -3.75 2.72 -0.02 -1.26 -2.68 135.00 136.55 1xhx n PRO 404 Ca -0.20 0.82 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 1xhx n PRO 404 Cb 0.51 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.35 1xhx n PRO 404 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1xhx s TYR 405 N -1.17 -0.03 -0.42 6.00 1.51 -0.39 -4.85 117.35 118.00 1xhx s TYR 405 Ca 0.59 -0.31 -0.13 0.00 -1.01 0.00 0.00 57.07 56.21 1xhx s TYR 405 Cb -0.47 0.23 0.05 0.00 -0.11 0.00 0.00 41.96 41.66 1xhx s TYR 405 CO 0.59 -0.78 0.29 -0.51 -1.11 0.00 0.00 175.55 174.03 1xhx s LEU 406 N -2.87 5.15 0.60 -1.29 1.43 -1.26 -1.84 118.68 118.60 1xhx s LEU 406 Ca 0.08 -1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 51.82 1xhx s LEU 406 Cb 0.01 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1xhx s LEU 406 CO -0.06 -0.51 1.26 -0.54 0.23 0.00 0.00 176.35 176.73 1xhx s LYS 407 N 1.58 2.89 0.33 1.70 1.02 -0.12 -4.85 119.74 122.29 1xhx s LYS 407 Ca 0.03 1.97 0.16 0.00 0.02 0.00 0.00 55.97 58.15 1xhx s LYS 407 Cb -0.21 -1.97 0.89 0.00 -0.52 0.00 0.00 37.83 36.02 1xhx s LYS 407 CO 0.06 -1.30 1.44 0.39 -0.92 0.00 0.00 175.35 175.02 1xhx n GLU 408 N -1.56 0.11 0.10 1.68 -0.58 -1.26 -0.56 120.64 118.57 1xhx n GLU 408 Ca 0.14 0.60 0.12 0.00 -0.42 0.00 0.00 57.16 57.60 1xhx n GLU 408 Cb 0.48 -2.05 0.20 0.00 -0.57 0.00 0.00 31.44 29.50 1xhx n GLU 408 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xhx h ASN 409 N 0.00 0.00 0.00 1.62 2.35 -2.03 -3.46 115.58 114.06 1xhx h ASN 409 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1xhx h ASN 409 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1xhx h ASN 409 CO 0.00 0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 1xhx n GLY 410 N 1.27 0.96 3.92 2.83 0.00 0.27 -4.69 105.19 109.75 1xhx n GLY 410 Ca 0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1xhx n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhx s ALA 411 N -2.00 3.85 0.11 4.61 0.00 -1.24 -2.99 121.76 124.11 1xhx s ALA 411 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1xhx s ALA 411 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 1xhx s ALA 411 CO 0.00 0.39 0.95 -1.17 0.00 0.00 0.00 175.76 175.93 1xhx s LEU 412 N -3.57 4.50 0.08 0.00 2.96 -1.26 -0.95 118.68 120.44 1xhx s LEU 412 Ca 0.34 1.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1xhx s LEU 412 Cb -0.10 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1xhx s LEU 412 CO 0.27 -0.05 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.37 1xhx s GLY 413 N -0.06 0.63 0.14 7.98 0.00 -0.77 -4.81 107.32 110.43 1xhx s GLY 413 Ca 0.46 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.92 1xhx s GLY 413 CO 0.30 -1.39 -0.03 -1.36 0.00 0.00 0.00 173.10 170.62 1xhx s PHE 414 N -3.73 1.08 -0.00 1.90 0.40 -1.26 -1.26 117.98 115.11 1xhx s PHE 414 Ca 0.09 -0.97 -0.16 0.00 -0.60 0.00 0.00 56.93 55.29 1xhx s PHE 414 Cb 0.06 -0.62 0.03 0.00 0.51 0.00 0.00 43.02 43.00 1xhx s PHE 414 CO -0.07 -0.18 0.34 1.03 0.70 0.00 0.00 175.22 177.04 1xhx s ARG 415 N -3.88 0.74 0.12 0.44 0.52 -1.09 -4.97 118.95 110.83 1xhx s ARG 415 Ca 0.19 -0.24 -0.33 0.00 -0.52 0.00 0.00 55.73 54.84 1xhx s ARG 415 Cb 0.06 0.33 -0.12 0.00 0.52 0.00 0.00 34.95 35.74 1xhx s ARG 415 CO 0.00 -0.22 1.75 1.28 0.02 0.00 0.00 175.30 178.13 1xhx n LEU 416 N 1.05 3.67 0.00 2.53 4.77 -1.26 -0.89 117.00 126.87 1xhx n LEU 416 Ca -0.21 1.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.80 1xhx n LEU 416 Cb 0.57 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 1xhx n LEU 416 CO 0.22 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1xhx n GLY 417 N 3.96 -0.89 3.59 -0.72 0.00 -0.84 -4.78 105.19 105.50 1xhx n GLY 417 Ca 0.18 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 1xhx n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xhx s GLU 418 N -2.43 2.05 -0.39 1.61 2.02 -1.26 -4.86 118.70 115.43 1xhx s GLU 418 Ca 0.00 -1.61 -0.36 0.00 0.02 0.00 0.00 54.97 53.02 1xhx s GLU 418 Cb 0.00 -1.98 -0.15 0.00 0.10 0.00 0.00 34.13 32.10 1xhx s GLU 418 CO 0.00 0.29 1.49 0.39 0.02 0.00 0.00 175.26 177.45 1xhx n GLU 419 N -0.83 0.00 -5.11 1.61 1.02 -1.26 -4.82 120.64 111.25 1xhx n GLU 419 Ca -0.05 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 1xhx n GLU 419 Cb 0.60 -1.18 -0.16 0.00 -0.02 0.00 0.00 31.44 30.69 1xhx n GLU 419 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xhx s GLU 420 N 3.64 1.89 -0.17 3.49 0.41 -1.26 -5.03 118.70 121.68 1xhx s GLU 420 Ca 0.89 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 54.64 1xhx s GLU 420 Cb -1.18 -1.79 -0.01 0.00 -1.78 0.00 0.00 34.13 29.38 1xhx s GLU 420 CO 0.57 0.45 -0.11 0.99 -0.49 0.00 0.00 175.26 176.68 1xhx s THR 421 N -0.45 3.02 -0.62 3.63 2.01 -1.26 -1.63 115.64 120.35 1xhx s THR 421 Ca 0.06 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1xhx s THR 421 Cb -0.09 -2.31 0.16 0.00 0.01 0.00 0.00 72.50 70.27 1xhx s THR 421 CO -0.00 0.49 0.42 -0.75 -0.69 0.00 0.00 174.62 174.09 1xhx s LYS 422 N 0.89 2.52 0.10 4.92 2.20 0.52 -4.95 119.74 125.94 1xhx s LYS 422 Ca -0.03 -2.54 -0.27 0.00 -0.36 0.00 0.00 55.97 52.77 1xhx s LYS 422 Cb -0.15 -3.70 -0.15 0.00 -1.51 0.00 0.00 37.83 32.32 1xhx s LYS 422 CO -0.00 -1.17 0.62 -0.25 -0.36 0.00 0.00 175.35 174.19 1xhx n ASP 423 N 3.46 -0.60 -4.60 1.43 8.00 -1.26 -4.46 116.55 118.52 1xhx n ASP 423 Ca 0.08 0.94 -0.35 0.00 0.71 0.00 0.00 54.79 56.17 1xhx n ASP 423 Cb 0.37 -0.77 0.10 0.00 -0.02 0.00 0.00 41.12 40.80 1xhx n ASP 423 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1xhx n PRO 424 N 1.00 0.37 0.00 -0.24 -0.02 -1.26 -5.01 135.00 129.83 1xhx n PRO 424 Ca 0.16 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1xhx n PRO 424 Cb 0.15 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1xhx n PRO 424 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xhx n VAL 425 N -2.73 0.00 -2.69 -1.45 0.31 -1.26 -4.74 118.33 105.77 1xhx n VAL 425 Ca 0.12 0.46 -0.03 0.00 -0.01 0.00 0.00 64.34 64.89 1xhx n VAL 425 Cb 0.50 -1.41 0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1xhx n VAL 425 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xhx s TYR 426 N -0.93 -0.54 0.33 3.52 5.04 -1.25 -4.65 117.35 118.86 1xhx s TYR 426 Ca 0.00 -0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.52 1xhx s TYR 426 Cb 0.00 0.11 0.74 0.00 0.35 0.00 0.00 41.96 43.15 1xhx s TYR 426 CO 0.00 -0.42 1.84 1.15 -1.34 0.00 0.00 175.55 176.78 1xhx h THR 427 N 3.03 0.82 -0.82 4.34 2.02 -1.94 -2.41 112.91 117.96 1xhx h THR 427 Ca 0.00 -0.27 0.20 0.00 0.77 0.00 0.00 66.41 67.11 1xhx h THR 427 Cb 1.16 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 1xhx h THR 427 CO -0.09 0.14 0.56 -0.65 0.37 0.00 0.00 175.52 175.85 1xhx h PRO 428 N 0.78 0.25 -0.15 6.66 0.11 -1.93 0.14 132.00 137.86 1xhx h PRO 428 Ca 0.49 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.48 1xhx h PRO 428 Cb 0.72 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1xhx h PRO 428 CO -0.26 0.17 -0.37 1.98 -0.21 0.00 0.00 178.00 179.31 1xhx h MET 429 N 0.26 0.32 -0.18 1.05 4.05 -1.71 -2.67 114.93 116.05 1xhx h MET 429 Ca 0.41 -0.14 -0.17 0.00 -0.28 0.00 0.00 59.70 59.52 1xhx h MET 429 Cb 1.21 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1xhx h MET 429 CO -0.10 0.65 -0.59 0.78 0.23 0.00 0.00 176.91 177.88 1xhx h GLY 430 N 1.14 0.65 0.95 1.39 0.00 -0.85 -2.14 103.07 104.21 1xhx h GLY 430 Ca 0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1xhx h GLY 430 CO 0.06 0.71 0.08 -2.08 0.00 0.00 0.00 176.54 175.31 1xhx h VAL 431 N 0.45 1.09 -0.01 4.60 2.07 -1.21 -2.63 116.25 120.61 1xhx h VAL 431 Ca 0.00 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 1xhx h VAL 431 Cb 1.15 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1xhx h VAL 431 CO 0.11 0.08 -0.91 -0.26 0.02 0.00 0.00 177.57 176.61 1xhx h PHE 432 N 0.15 0.58 -0.17 1.57 -1.00 -1.50 -1.17 116.94 115.39 1xhx h PHE 432 Ca 0.05 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.52 1xhx h PHE 432 Cb 0.06 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1xhx h PHE 432 CO -0.05 1.12 0.07 0.82 -1.61 0.00 0.00 178.31 178.67 1xhx h ILE 433 N 0.23 1.14 -0.30 -0.55 2.04 -1.40 0.20 117.51 118.86 1xhx h ILE 433 Ca -0.07 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1xhx h ILE 433 Cb 1.54 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1xhx h ILE 433 CO 0.16 0.13 -0.30 0.71 0.00 0.00 0.00 178.15 178.85 1xhx h THR 434 N 0.13 1.28 -0.15 -0.27 1.35 -1.52 -1.89 112.91 111.83 1xhx h THR 434 Ca 0.06 -1.41 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1xhx h THR 434 Cb 0.14 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1xhx h THR 434 CO -0.01 0.45 0.08 0.00 -0.25 0.00 0.00 175.52 175.80 1xhx h ALA 435 N 1.14 0.19 -0.49 6.62 0.00 -0.89 -0.52 119.26 125.31 1xhx h ALA 435 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1xhx h ALA 435 Cb 0.78 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xhx h ALA 435 CO 0.06 -0.27 0.11 -1.49 0.00 0.00 0.00 179.25 177.66 1xhx h TRP 436 N 0.15 0.77 -0.34 0.00 -0.00 -0.52 -0.61 115.95 115.40 1xhx h TRP 436 Ca 0.05 -0.07 -0.10 0.00 -0.00 0.00 0.00 58.89 58.78 1xhx h TRP 436 Cb 0.07 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 28.99 1xhx h TRP 436 CO -0.04 0.65 -0.21 0.00 -0.00 0.00 0.00 178.44 178.84 1xhx h ALA 437 N 1.40 1.00 -0.29 1.49 0.00 -1.05 -1.32 119.26 120.48 1xhx h ALA 437 Ca 0.16 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1xhx h ALA 437 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xhx h ALA 437 CO -0.00 0.59 -0.49 0.00 0.00 0.00 0.00 179.25 179.35 1xhx h ARG 438 N 0.57 0.85 -0.93 0.00 3.08 -0.52 -2.77 114.38 114.67 1xhx h ARG 438 Ca 0.09 -0.52 0.03 0.00 0.07 0.00 0.00 59.98 59.64 1xhx h ARG 438 Cb 0.68 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 1xhx h ARG 438 CO 0.05 1.16 0.61 -0.92 -1.07 0.00 0.00 179.97 179.80 1xhx h TYR 439 N 0.63 1.15 -0.02 3.04 3.20 -0.92 0.10 116.97 124.15 1xhx h TYR 439 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xhx h TYR 439 Cb 1.10 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 1xhx h TYR 439 CO 0.07 0.68 0.01 1.15 -1.64 0.00 0.00 178.16 178.44 1xhx h THR 440 N 1.20 1.01 0.05 1.81 2.02 -1.10 -1.78 112.91 116.12 1xhx h THR 440 Ca 0.36 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 1xhx h THR 440 Cb -0.05 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1xhx h THR 440 CO -0.10 0.01 -0.02 0.74 0.37 0.00 0.00 175.52 176.51 1xhx h THR 441 N 0.01 1.25 -0.43 3.16 2.02 -1.19 -2.97 112.91 114.76 1xhx h THR 441 Ca 0.01 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.21 1xhx h THR 441 Cb 0.01 1.90 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 1xhx h THR 441 CO -0.00 0.25 0.22 0.40 0.37 0.00 0.00 175.52 176.76 1xhx h ILE 442 N -0.51 0.99 -0.61 3.11 2.04 -0.84 -0.15 117.51 121.54 1xhx h ILE 442 Ca -0.01 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1xhx h ILE 442 Cb 0.46 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1xhx h ILE 442 CO 0.01 0.08 0.11 0.71 0.00 0.00 0.00 178.15 179.06 1xhx h THR 443 N 0.45 1.25 -0.50 -0.27 1.35 -1.42 0.14 112.91 113.91 1xhx h THR 443 Ca 0.18 -0.96 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 1xhx h THR 443 Cb 0.07 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 1xhx h THR 443 CO -0.11 0.36 0.11 0.00 -0.25 0.00 0.00 175.52 175.63 1xhx h ALA 444 N 1.19 0.66 -0.43 6.62 0.00 -1.30 -1.18 119.26 124.82 1xhx h ALA 444 Ca 0.19 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1xhx h ALA 444 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xhx h ALA 444 CO 0.01 0.36 -0.15 0.00 0.00 0.00 0.00 179.25 179.47 1xhx h ALA 445 N 0.99 0.60 -0.19 0.00 0.00 -0.77 -2.95 119.26 116.94 1xhx h ALA 445 Ca 0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1xhx h ALA 445 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1xhx h ALA 445 CO 0.00 0.53 -0.19 0.37 0.00 0.00 0.00 179.25 179.97 1xhx h GLN 446 N 0.70 0.32 0.00 0.00 5.75 -0.62 -1.65 115.11 119.61 1xhx h GLN 446 Ca 0.10 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1xhx h GLN 446 Cb 0.70 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1xhx h GLN 446 CO 0.05 0.50 0.00 0.00 -2.65 0.00 0.00 178.83 176.74 1xhx h ALA 447 N 1.52 1.00 -0.33 3.38 0.00 -1.05 -2.46 119.26 121.32 1xhx h ALA 447 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 1xhx h ALA 447 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.15 1xhx h ALA 447 CO 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 179.25 178.90 1xhx h TYR 449 N 1.31 0.74 0.00 0.00 3.20 -1.01 0.63 116.97 121.84 1xhx h TYR 449 Ca 0.18 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1xhx h TYR 449 Cb 1.33 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1xhx h TYR 449 CO 0.90 -0.12 0.00 0.38 -1.64 0.00 0.00 178.16 177.68 1xhx h ASP 450 N 0.35 0.00 -0.00 -2.11 2.03 -1.88 -3.18 116.42 111.63 1xhx h ASP 450 Ca 0.64 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.94 1xhx h ASP 450 Cb 1.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1xhx h ASP 450 CO -0.58 0.00 -0.17 0.54 -1.03 0.00 0.00 179.24 178.00 1xhx n ARG 451 N -3.05 4.07 -1.88 4.15 1.74 -0.13 -5.00 116.66 116.57 1xhx n ARG 451 Ca 0.00 -0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.47 1xhx n ARG 451 Cb 0.27 -0.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 1xhx n ARG 451 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xhx s ILE 452 N -1.20 2.36 -0.05 0.55 1.10 0.03 -1.58 121.20 122.41 1xhx s ILE 452 Ca 0.03 0.29 -0.04 0.00 -0.51 0.00 0.00 60.65 60.41 1xhx s ILE 452 Cb 0.04 -3.18 -0.03 0.00 0.15 0.00 0.00 42.46 39.44 1xhx s ILE 452 CO 0.16 0.04 -0.10 -0.38 -2.11 0.00 0.00 174.94 172.55 1xhx n ILE 453 N 2.73 0.67 -3.73 2.00 5.41 0.48 -4.87 119.36 122.04 1xhx n ILE 453 Ca 0.09 0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.72 1xhx n ILE 453 Cb 0.38 -1.66 -0.08 0.00 -0.71 0.00 0.00 39.64 37.57 1xhx n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1xhx s TYR 454 N -2.17 -0.24 -0.01 1.39 5.04 -1.14 -0.97 117.35 119.26 1xhx s TYR 454 Ca -0.10 0.36 0.03 0.00 -2.44 0.00 0.00 57.07 54.92 1xhx s TYR 454 Cb 0.03 0.14 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 1xhx s TYR 454 CO 0.13 -0.42 -0.11 0.00 -1.34 0.00 0.00 175.55 173.81 1xhx s ASP 456 N -0.29 1.21 0.00 0.00 2.15 -0.09 -1.27 116.67 118.38 1xhx s ASP 456 Ca 0.04 -2.00 0.00 0.00 0.43 0.00 0.00 52.55 51.02 1xhx s ASP 456 Cb -0.04 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.93 1xhx s ASP 456 CO -0.00 -0.23 0.00 0.41 -0.17 0.00 0.00 175.17 175.18 1xhx n THR 457 N 3.79 0.00 -0.52 1.71 -1.04 0.10 -2.78 114.28 115.54 1xhx n THR 457 Ca 0.16 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.22 1xhx n THR 457 Cb 0.46 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.05 1xhx n THR 457 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1xhx n ASP 458 N 1.41 2.33 -3.95 8.00 3.85 -1.26 -4.60 116.55 122.33 1xhx n ASP 458 Ca 0.00 -2.52 -0.09 0.00 -0.71 0.00 0.00 54.79 51.47 1xhx n ASP 458 Cb 0.00 -0.23 -0.11 0.00 -1.35 0.00 0.00 41.12 39.43 1xhx n ASP 458 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xhx s SER 459 N -1.84 0.19 -0.02 -1.12 1.04 -1.12 -0.91 113.70 109.92 1xhx s SER 459 Ca 0.18 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.22 1xhx s SER 459 Cb 0.15 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1xhx s SER 459 CO 0.03 -0.33 -0.17 0.27 0.98 0.00 0.00 173.24 174.02 1xhx s ILE 460 N -1.51 1.35 -0.16 -1.02 -4.36 -0.26 -0.92 121.20 114.33 1xhx s ILE 460 Ca -0.15 -0.72 -0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1xhx s ILE 460 Cb -0.09 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.47 1xhx s ILE 460 CO -0.01 0.39 -0.09 -1.00 0.24 0.00 0.00 174.94 174.47 1xhx s HIS 461 N -0.27 2.89 0.15 1.37 3.76 0.40 -1.01 115.29 122.58 1xhx s HIS 461 Ca 0.04 -0.67 0.08 0.00 -0.15 0.00 0.00 55.06 54.36 1xhx s HIS 461 Cb -0.08 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 1xhx s HIS 461 CO 0.00 -0.28 -0.18 -0.51 -0.85 0.00 0.00 174.74 172.93 1xhx s LEU 462 N 0.66 2.42 0.56 0.89 1.43 -0.08 -0.39 118.68 124.18 1xhx s LEU 462 Ca -0.05 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.07 1xhx s LEU 462 Cb -0.15 -0.78 -0.06 0.00 0.03 0.00 0.00 46.19 45.23 1xhx s LEU 462 CO 0.02 -0.05 1.01 0.42 0.23 0.00 0.00 176.35 177.98 1xhx s THR 463 N -2.01 4.53 0.00 5.49 -4.23 -0.62 -0.12 115.64 118.68 1xhx s THR 463 Ca 0.14 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 1xhx s THR 463 Cb -0.06 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1xhx s THR 463 CO 0.06 -0.84 0.00 0.61 -0.54 0.00 0.00 174.62 173.90 1xhx n GLY 464 N -1.96 -0.25 0.00 3.99 0.00 -0.63 -4.71 105.19 101.63 1xhx n GLY 464 Ca 0.07 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.35 1xhx n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xhx n THR 465 N -0.15 0.00 -3.68 2.61 -2.24 -1.26 -2.94 114.28 106.62 1xhx n THR 465 Ca 0.00 -0.47 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 1xhx n THR 465 Cb 0.00 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 1xhx n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xhx s GLU 466 N -0.08 3.99 0.06 -0.78 8.01 -1.26 -5.01 118.70 123.62 1xhx s GLU 466 Ca 0.00 -0.03 -0.30 0.00 0.01 0.00 0.00 54.97 54.65 1xhx s GLU 466 Cb 0.00 -3.34 -0.09 0.00 -4.31 0.00 0.00 34.13 26.39 1xhx s GLU 466 CO 0.00 0.45 1.92 0.42 0.01 0.00 0.00 175.26 178.06 1xhx s ILE 467 N -0.12 2.91 0.27 -1.63 1.01 -1.26 -4.91 121.20 117.46 1xhx s ILE 467 Ca 0.14 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 1xhx s ILE 467 Cb -0.13 -3.03 -0.13 0.00 0.01 0.00 0.00 42.46 39.19 1xhx s ILE 467 CO 0.03 -0.00 1.40 -2.65 0.00 0.00 0.00 174.94 173.72 1xhx n PRO 468 N 7.04 2.13 -0.30 2.79 -0.02 -1.26 -4.85 135.00 140.53 1xhx n PRO 468 Ca 0.19 0.76 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1xhx n PRO 468 Cb 0.40 -2.41 0.10 0.00 -0.02 0.00 0.00 33.50 31.57 1xhx n PRO 468 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xhx h ASP 469 N 3.92 0.90 -0.01 2.55 3.32 -1.99 -1.89 116.42 123.23 1xhx h ASP 469 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1xhx h ASP 469 Cb 1.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1xhx h ASP 469 CO 0.73 0.63 0.04 -0.37 -1.72 0.00 0.00 179.24 178.55 1xhx h VAL 470 N 1.06 0.12 -0.03 -1.35 -1.51 -1.90 -2.27 116.25 110.38 1xhx h VAL 470 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 1xhx h VAL 470 Cb -0.03 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1xhx h VAL 470 CO -0.10 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 178.54 1xhx n ILE 471 N -3.24 0.11 -0.29 7.19 -5.35 -0.96 -4.73 119.36 112.09 1xhx n ILE 471 Ca -0.03 -0.55 0.10 0.00 -0.27 0.00 0.00 62.75 62.00 1xhx n ILE 471 Cb 0.11 1.05 0.26 0.00 -1.74 0.00 0.00 39.64 39.32 1xhx n ILE 471 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1xhx h LYS 472 N 1.09 0.36 0.00 6.28 1.57 -0.73 -1.77 116.57 123.37 1xhx h LYS 472 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xhx h LYS 472 Cb 0.28 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xhx h LYS 472 CO 0.00 0.24 0.00 -0.44 -0.57 0.00 0.00 179.45 178.68 1xhx h ASP 473 N 0.38 0.00 -0.37 0.86 3.32 -1.85 -3.08 116.42 115.67 1xhx h ASP 473 Ca 0.51 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.37 1xhx h ASP 473 Cb 0.92 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.36 1xhx h ASP 473 CO -0.51 0.00 -0.06 2.30 -1.72 0.00 0.00 179.24 179.25 1xhx n ILE 474 N -2.90 2.58 -4.26 0.35 -5.35 -0.67 -4.95 119.36 104.15 1xhx n ILE 474 Ca 0.01 -2.72 -0.34 0.00 -0.27 0.00 0.00 62.75 59.43 1xhx n ILE 474 Cb 0.31 -0.32 -0.13 0.00 -1.74 0.00 0.00 39.64 37.75 1xhx n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xhx s VAL 475 N -3.25 3.65 -0.09 7.28 1.01 -1.17 -0.62 120.40 127.22 1xhx s VAL 475 Ca 0.45 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1xhx s VAL 475 Cb 0.41 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 34.24 1xhx s VAL 475 CO 0.00 0.46 0.68 -0.62 0.00 0.00 0.00 175.10 175.63 1xhx s ASP 476 N 0.79 -0.67 0.38 3.32 -1.08 0.21 -4.88 116.67 114.74 1xhx s ASP 476 Ca -0.01 0.83 0.19 0.00 -0.52 0.00 0.00 52.55 53.04 1xhx s ASP 476 Cb -0.15 0.69 0.65 0.00 -1.46 0.00 0.00 42.92 42.65 1xhx s ASP 476 CO 0.02 -0.55 1.71 -0.65 0.52 0.00 0.00 175.17 176.22 1xhx h PRO 477 N 3.35 0.00 0.00 4.34 0.11 -1.96 -3.13 132.00 134.71 1xhx h PRO 477 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xhx h PRO 477 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xhx h PRO 477 CO 0.33 0.36 -0.37 1.63 -0.21 0.00 0.00 178.00 179.74 1xhx n LYS 478 N -3.45 1.38 -1.56 1.05 5.02 -1.26 -4.89 118.16 114.46 1xhx n LYS 478 Ca 0.00 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 1xhx n LYS 478 Cb 0.52 -0.68 -0.02 0.00 -0.02 0.00 0.00 35.03 34.83 1xhx n LYS 478 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xhx n LYS 479 N -1.09 1.12 -1.89 1.97 5.02 -1.26 -4.86 118.16 117.17 1xhx n LYS 479 Ca 0.00 0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 56.26 1xhx n LYS 479 Cb 0.18 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1xhx n LYS 479 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xhx s LEU 480 N 0.87 4.37 0.00 -0.35 2.96 -1.26 -2.68 118.68 122.60 1xhx s LEU 480 Ca 0.60 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 1xhx s LEU 480 Cb -0.75 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.37 1xhx s LEU 480 CO 0.59 -0.89 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1xhx n GLY 481 N 3.98 2.35 3.91 7.98 0.00 -0.49 -4.99 105.19 117.92 1xhx n GLY 481 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1xhx n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhx s TYR 482 N -2.99 3.35 -0.09 1.61 2.02 -1.09 -4.73 117.35 115.43 1xhx s TYR 482 Ca 0.00 0.78 -0.15 0.00 -0.37 0.00 0.00 57.07 57.33 1xhx s TYR 482 Cb 0.00 -2.69 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 1xhx s TYR 482 CO 0.00 -0.75 0.38 -1.58 -1.57 0.00 0.00 175.55 172.03 1xhx s TRP 483 N -3.00 3.57 -0.11 2.71 0.52 0.21 -1.08 118.94 121.76 1xhx s TRP 483 Ca 0.53 0.82 -0.02 0.00 0.02 0.00 0.00 56.10 57.45 1xhx s TRP 483 Cb -0.11 -2.38 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1xhx s TRP 483 CO 0.47 0.37 -0.03 0.00 0.02 0.00 0.00 176.95 177.77 1xhx s ALA 484 N -0.05 3.10 -0.53 0.98 0.00 0.24 0.65 121.76 126.15 1xhx s ALA 484 Ca 0.22 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1xhx s ALA 484 Cb -0.15 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1xhx s ALA 484 CO 0.09 0.44 1.55 -1.58 0.00 0.00 0.00 175.76 176.27 1xhx s HIS 485 N -0.40 2.10 -0.04 0.00 2.46 -1.26 -1.31 115.29 116.85 1xhx s HIS 485 Ca 0.07 0.56 -0.16 0.00 0.47 0.00 0.00 55.06 56.00 1xhx s HIS 485 Cb -0.12 -4.30 -0.31 0.00 -0.13 0.00 0.00 32.58 27.72 1xhx s HIS 485 CO 0.02 -2.18 0.77 1.49 -2.47 0.00 0.00 174.74 172.37 1xhx h GLU 486 N 12.02 0.38 -2.74 2.88 4.81 -1.37 -3.49 114.58 127.07 1xhx h GLU 486 Ca -0.28 -0.65 0.09 0.00 -0.13 0.00 0.00 59.36 58.40 1xhx h GLU 486 Cb 1.12 0.24 -0.08 0.00 0.63 0.00 0.00 28.75 30.66 1xhx h GLU 486 CO 1.16 1.31 0.33 -1.54 -0.73 0.00 0.00 179.01 179.54 1xhx s SER 487 N -7.24 -0.30 -0.04 1.04 1.04 -1.13 -4.87 113.70 102.20 1xhx s SER 487 Ca -0.15 -0.39 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1xhx s SER 487 Cb 0.04 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1xhx s SER 487 CO 0.85 -1.08 -0.04 -0.89 0.98 0.00 0.00 173.24 173.06 1xhx s THR 488 N -3.63 0.48 0.14 2.02 2.01 -1.26 -0.80 115.64 114.60 1xhx s THR 488 Ca 0.09 -0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.09 1xhx s THR 488 Cb -0.03 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 1xhx s THR 488 CO 0.01 0.21 -0.18 0.72 -0.69 0.00 0.00 174.62 174.68 1xhx s PHE 489 N 0.90 2.50 -0.11 4.92 -0.12 0.38 -1.41 117.98 125.03 1xhx s PHE 489 Ca -0.11 -0.28 0.15 0.00 -0.05 0.00 0.00 56.93 56.64 1xhx s PHE 489 Cb -0.14 -1.29 -0.08 0.00 -0.63 0.00 0.00 43.02 40.88 1xhx s PHE 489 CO 0.00 0.42 1.06 -0.22 -0.05 0.00 0.00 175.22 176.44 1xhx h LYS 490 N 3.52 0.00 -1.91 1.99 3.64 -1.43 -0.38 116.57 122.00 1xhx h LYS 490 Ca -0.49 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 1xhx h LYS 490 Cb 1.18 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.81 1xhx h LYS 490 CO 0.47 0.42 0.53 -0.98 -2.27 0.00 0.00 179.45 177.62 1xhx s ARG 491 N -2.91 0.69 0.33 1.90 1.70 -1.22 -2.64 118.95 116.80 1xhx s ARG 491 Ca -0.00 -0.08 -0.15 0.00 -0.47 0.00 0.00 55.73 55.02 1xhx s ARG 491 Cb 0.08 0.32 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1xhx s ARG 491 CO 0.79 -0.27 0.69 0.00 -1.08 0.00 0.00 175.30 175.44 1xhx s ALA 492 N -2.16 -0.65 -0.25 7.88 0.00 -0.90 -1.51 121.76 124.17 1xhx s ALA 492 Ca 0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 1xhx s ALA 492 Cb -0.01 0.83 0.11 0.00 0.00 0.00 0.00 23.12 24.06 1xhx s ALA 492 CO -0.04 -0.96 0.54 0.21 0.00 0.00 0.00 175.76 175.50 1xhx s LYS 493 N -3.09 0.46 -0.20 0.00 2.20 -0.32 -0.43 119.74 118.36 1xhx s LYS 493 Ca 0.17 1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.95 1xhx s LYS 493 Cb -0.04 0.58 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1xhx s LYS 493 CO 0.11 -0.25 -0.00 0.71 -0.36 0.00 0.00 175.35 175.55 1xhx s TYR 494 N 2.76 3.04 -0.22 4.03 1.51 -1.26 -1.21 117.35 126.00 1xhx s TYR 494 Ca -0.02 -0.45 -0.12 0.00 -1.01 0.00 0.00 57.07 55.47 1xhx s TYR 494 Cb -0.12 -2.08 -0.18 0.00 -0.11 0.00 0.00 41.96 39.47 1xhx s TYR 494 CO -0.16 -0.23 0.01 1.28 -1.11 0.00 0.00 175.55 175.34 1xhx n LEU 495 N 4.20 2.28 0.00 -1.29 4.77 -0.26 -0.26 117.00 126.43 1xhx n LEU 495 Ca -0.17 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1xhx n LEU 495 Cb 0.52 -0.95 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1xhx n LEU 495 CO 0.32 0.62 0.24 0.54 -1.33 0.00 0.00 177.39 177.77 1xhx n ARG 496 N -3.94 0.52 -1.69 3.23 1.74 -1.12 -4.28 116.66 111.11 1xhx n ARG 496 Ca -0.41 -1.04 -0.44 0.00 -0.77 0.00 0.00 57.85 55.19 1xhx n ARG 496 Cb 0.88 1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 33.58 1xhx n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xhx n GLN 497 N -0.25 2.21 -2.29 5.56 6.02 -1.26 -1.44 117.38 125.93 1xhx n GLN 497 Ca -0.04 0.79 -0.14 0.00 -0.01 0.00 0.00 57.00 57.60 1xhx n GLN 497 Cb 0.27 -2.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.03 1xhx n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xhx n LYS 498 N 2.29 -2.00 -3.51 -1.09 5.02 -1.26 -4.87 118.16 112.74 1xhx n LYS 498 Ca 0.12 0.71 -0.27 0.00 -2.02 0.00 0.00 58.31 56.84 1xhx n LYS 498 Cb 0.32 -5.27 -0.14 0.00 -0.02 0.00 0.00 35.03 29.92 1xhx n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xhx s THR 499 N -2.64 -0.09 0.23 -0.18 2.01 -0.52 -2.83 115.64 111.63 1xhx s THR 499 Ca 0.00 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 1xhx s THR 499 Cb 0.00 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.55 1xhx s THR 499 CO 0.00 -0.73 0.81 -0.72 -0.69 0.00 0.00 174.62 173.29 1xhx s TYR 500 N 1.98 -0.17 0.03 4.92 -0.85 0.50 -1.10 117.35 122.66 1xhx s TYR 500 Ca 0.10 -0.23 0.01 0.00 -0.52 0.00 0.00 57.07 56.43 1xhx s TYR 500 Cb -0.17 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1xhx s TYR 500 CO -0.31 -1.08 -0.06 0.96 -1.52 0.00 0.00 175.55 173.55 1xhx s ILE 501 N -3.67 0.36 0.07 -3.49 -4.36 -0.35 -0.76 121.20 108.99 1xhx s ILE 501 Ca 0.12 -0.94 -0.09 0.00 -0.26 0.00 0.00 60.65 59.48 1xhx s ILE 501 Cb -0.04 -0.45 -0.00 0.00 1.25 0.00 0.00 42.46 43.22 1xhx s ILE 501 CO 0.05 -0.39 0.18 -1.10 0.24 0.00 0.00 174.94 173.92 1xhx s GLN 502 N -1.42 0.77 -0.50 0.37 -0.21 -0.34 -1.17 119.66 117.15 1xhx s GLN 502 Ca -0.11 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 1xhx s GLN 502 Cb -0.09 0.31 0.13 0.00 1.00 0.00 0.00 33.01 34.36 1xhx s GLN 502 CO -0.00 -0.23 0.30 -0.51 -2.12 0.00 0.00 175.29 172.72 1xhx s ASP 503 N -2.52 5.17 0.10 5.90 1.01 -0.57 -0.13 116.67 125.63 1xhx s ASP 503 Ca 0.01 -2.44 -0.29 0.00 0.71 0.00 0.00 52.55 50.54 1xhx s ASP 503 Cb 0.02 -1.82 -0.06 0.00 1.01 0.00 0.00 42.92 42.08 1xhx s ASP 503 CO -0.08 -0.45 0.93 -0.63 0.21 0.00 0.00 175.17 175.15 1xhx s ILE 504 N 0.55 4.53 0.02 0.77 -1.09 0.54 -1.22 121.20 125.30 1xhx s ILE 504 Ca 0.12 1.99 -0.30 0.00 -2.23 0.00 0.00 60.65 60.24 1xhx s ILE 504 Cb -0.22 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.32 1xhx s ILE 504 CO -0.04 0.33 1.41 -0.31 -1.23 0.00 0.00 174.94 175.10 1xhx s TYR 505 N -0.05 2.90 0.04 3.97 1.51 -0.50 -0.22 117.35 125.00 1xhx s TYR 505 Ca 0.45 0.83 0.07 0.00 -1.01 0.00 0.00 57.07 57.41 1xhx s TYR 505 Cb -0.23 -3.67 -0.02 0.00 -0.11 0.00 0.00 41.96 37.92 1xhx s TYR 505 CO 0.29 -2.47 -0.20 -1.64 -1.11 0.00 0.00 175.55 170.42 1xhx s MET 506 N 2.22 1.30 0.05 -0.62 -1.94 0.38 0.57 119.30 121.27 1xhx s MET 506 Ca 0.64 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.75 1xhx s MET 506 Cb -0.32 -1.40 -0.02 0.00 2.01 0.00 0.00 34.83 35.09 1xhx s MET 506 CO 0.27 0.36 -0.12 -1.59 -0.01 0.00 0.00 175.02 173.92 1xhx s LYS 507 N -1.19 0.77 -0.03 2.03 -2.85 0.35 0.08 119.74 118.91 1xhx s LYS 507 Ca 0.06 -0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 53.97 1xhx s LYS 507 Cb -0.09 -0.73 -0.04 0.00 -2.06 0.00 0.00 37.83 34.92 1xhx s LYS 507 CO 0.02 0.17 0.77 -1.21 0.10 0.00 0.00 175.35 175.19 1xhx s GLU 508 N -1.44 4.47 -0.11 1.78 2.02 -1.26 -0.80 118.70 123.36 1xhx s GLU 508 Ca -0.02 1.03 -0.05 0.00 0.02 0.00 0.00 54.97 55.95 1xhx s GLU 508 Cb -0.09 -3.43 0.05 0.00 0.10 0.00 0.00 34.13 30.76 1xhx s GLU 508 CO 0.01 0.09 0.24 0.08 0.02 0.00 0.00 175.26 175.71 1xhx s VAL 509 N 0.63 -0.18 -1.48 2.63 1.01 -0.50 -4.88 120.40 117.63 1xhx s VAL 509 Ca 0.41 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1xhx s VAL 509 Cb -0.19 -0.39 0.07 0.00 0.00 0.00 0.00 36.38 35.87 1xhx s VAL 509 CO 0.21 0.09 0.86 0.47 0.00 0.00 0.00 175.10 176.73 1xhx n ASP 510 N 4.68 -4.89 -0.19 3.32 8.00 -1.26 -1.65 116.55 124.55 1xhx n ASP 510 Ca -0.18 -0.63 -0.02 0.00 0.71 0.00 0.00 54.79 54.67 1xhx n ASP 510 Cb 0.52 -3.93 -0.01 0.00 -0.02 0.00 0.00 41.12 37.68 1xhx n ASP 510 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xhx n GLY 511 N -1.60 0.57 3.01 0.44 0.00 -1.26 -5.03 105.19 101.34 1xhx n GLY 511 Ca 0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 1xhx n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhx s LYS 512 N -1.47 0.22 0.19 1.61 1.02 -0.66 -5.14 119.74 115.50 1xhx s LYS 512 Ca 0.00 -0.02 -0.30 0.00 0.02 0.00 0.00 55.97 55.67 1xhx s LYS 512 Cb 0.00 0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.33 1xhx s LYS 512 CO 0.00 -0.04 1.22 -0.51 -0.92 0.00 0.00 175.35 175.10 1xhx s LEU 513 N -0.37 4.44 0.03 3.17 1.43 -1.26 -1.41 118.68 124.72 1xhx s LEU 513 Ca -0.04 2.26 -0.03 0.00 -1.03 0.00 0.00 54.13 55.29 1xhx s LEU 513 Cb -0.03 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1xhx s LEU 513 CO 0.00 -0.40 0.03 -0.69 0.23 0.00 0.00 176.35 175.52 1xhx s VAL 514 N -0.01 0.14 -0.09 -1.59 1.01 0.02 -4.95 120.40 114.93 1xhx s VAL 514 Ca 0.54 -1.18 -0.39 0.00 0.00 0.00 0.00 61.98 60.95 1xhx s VAL 514 Cb -0.33 -0.82 -0.17 0.00 0.00 0.00 0.00 36.38 35.06 1xhx s VAL 514 CO 0.37 -0.65 1.48 -0.62 0.00 0.00 0.00 175.10 175.68 1xhx n GLU 515 N 0.90 0.97 0.00 2.72 4.71 -1.26 -0.49 120.64 128.18 1xhx n GLU 515 Ca -0.20 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1xhx n GLU 515 Cb 0.58 -1.99 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 1xhx n GLU 515 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xhx n GLY 516 N 3.14 5.43 3.31 0.62 0.00 0.19 -4.61 105.19 113.27 1xhx n GLY 516 Ca 0.22 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 1xhx n GLY 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xhx s SER 517 N 0.35 0.10 0.32 1.61 1.04 -0.59 -4.38 113.70 112.15 1xhx s SER 517 Ca 0.00 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.36 1xhx s SER 517 Cb 0.00 0.43 0.72 0.00 0.10 0.00 0.00 66.02 67.26 1xhx s SER 517 CO 0.00 -0.90 1.84 -0.65 0.98 0.00 0.00 173.24 174.51 1xhx h PRO 518 N 2.56 0.79 -0.01 4.02 0.11 -1.96 -0.56 132.00 136.95 1xhx h PRO 518 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xhx h PRO 518 Cb 1.24 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xhx h PRO 518 CO 0.49 0.52 -0.11 -0.40 -0.21 0.00 0.00 178.00 178.29 1xhx n ASP 519 N -4.61 0.62 -3.24 -2.05 5.75 -1.26 -4.61 116.55 107.15 1xhx n ASP 519 Ca 0.19 -0.75 -0.02 0.00 -0.01 0.00 0.00 54.79 54.20 1xhx n ASP 519 Cb 0.45 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.49 1xhx n ASP 519 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xhx s ASP 520 N -2.39 -1.00 0.11 -1.12 2.15 -0.23 -5.14 116.67 109.06 1xhx s ASP 520 Ca 0.31 -0.88 -0.24 0.00 0.43 0.00 0.00 52.55 52.17 1xhx s ASP 520 Cb 0.20 1.69 0.06 0.00 -0.30 0.00 0.00 42.92 44.57 1xhx s ASP 520 CO 0.46 -0.20 0.59 -0.72 -0.17 0.00 0.00 175.17 175.13 1xhx s TYR 521 N 1.82 -0.52 0.00 -5.34 -0.85 -1.18 -1.54 117.35 109.75 1xhx s TYR 521 Ca 0.16 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 57.15 1xhx s TYR 521 Cb -0.07 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.76 1xhx s TYR 521 CO -0.07 -0.77 0.00 0.25 -1.52 0.00 0.00 175.55 173.43 1xhx n THR 522 N -0.06 0.00 -4.19 -3.49 -2.24 0.11 -4.93 114.28 99.48 1xhx n THR 522 Ca -0.17 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1xhx n THR 522 Cb 0.63 0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1xhx n THR 522 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xhx s ASP 523 N -1.29 0.15 -0.18 3.42 1.01 -0.00 -5.02 116.67 114.77 1xhx s ASP 523 Ca 0.00 -1.36 0.00 0.00 0.71 0.00 0.00 52.55 51.90 1xhx s ASP 523 Cb 0.00 0.38 0.04 0.00 1.01 0.00 0.00 42.92 44.35 1xhx s ASP 523 CO 0.00 -0.84 -0.07 -0.63 0.21 0.00 0.00 175.17 173.84 1xhx s ILE 524 N -4.15 1.32 -0.30 0.77 -1.09 -1.26 -0.47 121.20 116.02 1xhx s ILE 524 Ca 0.37 -0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 57.84 1xhx s ILE 524 Cb 0.07 -1.48 -0.03 0.00 -1.58 0.00 0.00 42.46 39.44 1xhx s ILE 524 CO 0.11 0.12 0.32 -0.75 -1.23 0.00 0.00 174.94 173.51 1xhx s LYS 525 N 1.53 3.80 0.02 2.79 2.20 0.69 -4.85 119.74 125.92 1xhx s LYS 525 Ca -0.01 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.05 1xhx s LYS 525 Cb -0.16 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.39 1xhx s LYS 525 CO -0.08 -0.36 1.17 0.12 -0.36 0.00 0.00 175.35 175.84 1xhx s PHE 526 N 1.97 3.39 -0.07 4.03 5.36 -1.26 -0.34 117.98 131.07 1xhx s PHE 526 Ca 0.12 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.43 1xhx s PHE 526 Cb -0.16 -3.39 0.01 0.00 -0.34 0.00 0.00 43.02 39.14 1xhx s PHE 526 CO 0.11 -1.14 -0.13 0.45 -1.46 0.00 0.00 175.22 173.05 1xhx s SER 527 N 1.18 1.87 -0.13 6.13 0.15 0.81 -4.96 113.70 118.74 1xhx s SER 527 Ca 0.57 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1xhx s SER 527 Cb -0.27 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.20 1xhx s SER 527 CO 0.27 0.05 -0.20 -0.69 1.20 0.00 0.00 173.24 173.87 1xhx s VAL 528 N 0.60 2.31 -0.14 4.45 1.01 -1.26 -1.20 120.40 126.17 1xhx s VAL 528 Ca -0.14 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1xhx s VAL 528 Cb -0.16 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1xhx s VAL 528 CO 0.04 0.54 -0.14 -0.54 0.00 0.00 0.00 175.10 175.01 1xhx s LYS 529 N 0.61 2.18 -0.27 2.72 -0.14 0.06 -5.02 119.74 119.89 1xhx s LYS 529 Ca -0.11 -0.52 -0.12 0.00 -1.36 0.00 0.00 55.97 53.86 1xhx s LYS 529 Cb -0.16 -1.99 0.10 0.00 -1.68 0.00 0.00 37.83 34.09 1xhx s LYS 529 CO 0.03 -0.20 0.62 0.00 -0.76 0.00 0.00 175.35 175.03 1xhx s ALA 531 N 2.22 3.71 0.00 0.00 0.00 -1.13 -2.32 121.76 124.24 1xhx s ALA 531 Ca -0.07 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1xhx s ALA 531 Cb -0.09 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.24 1xhx s ALA 531 CO -0.18 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.66 1xhx n GLY 532 N 4.33 2.95 3.74 0.00 0.00 -1.26 -5.04 105.19 109.91 1xhx n GLY 532 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xhx n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xhx s MET 533 N -0.06 4.35 0.45 1.61 0.00 -0.98 -5.02 119.30 119.65 1xhx s MET 533 Ca 0.00 2.13 -0.01 0.00 0.00 0.00 0.00 55.69 57.81 1xhx s MET 533 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 34.83 31.65 1xhx s MET 533 CO 0.00 -0.31 0.69 0.95 0.00 0.00 0.00 175.02 176.35 1xhx s THR 534 N 0.10 4.24 0.17 10.11 -4.23 -1.26 -4.90 115.64 119.87 1xhx s THR 534 Ca 0.58 -0.37 -0.21 0.00 -1.18 0.00 0.00 61.69 60.51 1xhx s THR 534 Cb -0.38 -3.58 0.09 0.00 1.34 0.00 0.00 72.50 69.96 1xhx s THR 534 CO 0.40 -0.44 1.61 0.44 -0.54 0.00 0.00 174.62 176.08 1xhx h ASP 535 N 0.38 -0.97 -0.69 3.99 3.32 -1.98 -1.31 116.42 119.16 1xhx h ASP 535 Ca -0.47 0.19 0.07 0.00 0.02 0.00 0.00 57.03 56.84 1xhx h ASP 535 Cb 1.24 0.47 -0.06 0.00 0.22 0.00 0.00 39.33 41.21 1xhx h ASP 535 CO 0.59 -0.29 0.37 0.50 -1.72 0.00 0.00 179.24 178.68 1xhx h LYS 536 N -0.20 0.64 -0.44 3.56 3.64 -1.95 -2.62 116.57 119.20 1xhx h LYS 536 Ca 0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1xhx h LYS 536 Cb 0.51 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1xhx h LYS 536 CO -0.55 0.42 0.13 0.82 -2.27 0.00 0.00 179.45 178.01 1xhx h ILE 537 N 0.66 1.23 -0.50 2.00 2.04 -1.69 -2.85 117.51 118.40 1xhx h ILE 537 Ca 0.32 -0.76 0.14 0.00 1.00 0.00 0.00 64.86 65.57 1xhx h ILE 537 Cb 0.25 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1xhx h ILE 537 CO -0.21 0.27 0.36 0.11 0.00 0.00 0.00 178.15 178.68 1xhx h LYS 538 N 0.58 0.00 0.00 2.37 1.57 -0.89 -0.60 116.57 119.60 1xhx h LYS 538 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xhx h LYS 538 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xhx h LYS 538 CO -0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 1xhx n LYS 539 N -4.38 0.10 0.00 3.15 5.02 -1.08 -2.13 118.16 118.84 1xhx n LYS 539 Ca 0.09 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.89 1xhx n LYS 539 Cb 0.58 -1.72 0.07 0.00 -0.02 0.00 0.00 35.03 33.94 1xhx n LYS 539 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xhx n GLU 540 N -1.92 1.73 -3.06 1.97 1.02 -0.23 -4.96 120.64 115.19 1xhx n GLU 540 Ca 0.02 -1.59 -0.34 0.00 -0.02 0.00 0.00 57.16 55.22 1xhx n GLU 540 Cb 0.15 -1.38 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1xhx n GLU 540 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xhx s VAL 541 N -1.72 4.56 0.26 2.62 1.01 -0.90 -5.03 120.40 121.20 1xhx s VAL 541 Ca 0.22 1.22 -0.08 0.00 0.00 0.00 0.00 61.98 63.34 1xhx s VAL 541 Cb 0.16 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1xhx s VAL 541 CO 0.28 -0.01 0.40 0.42 0.00 0.00 0.00 175.10 176.18 1xhx s THR 542 N -1.78 0.00 0.40 3.92 -4.23 -1.26 -5.03 115.64 107.66 1xhx s THR 542 Ca 0.50 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.53 1xhx s THR 542 Cb -0.13 -2.36 0.18 0.00 1.34 0.00 0.00 72.50 71.53 1xhx s THR 542 CO 0.19 0.00 1.95 -0.26 -0.54 0.00 0.00 174.62 175.96 1xhx h PHE 543 N 2.31 0.25 -0.22 3.99 -1.00 -1.98 -2.06 116.94 118.24 1xhx h PHE 543 Ca -0.29 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.47 1xhx h PHE 543 Cb 1.25 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.73 1xhx h PHE 543 CO 0.60 0.33 0.00 0.39 -1.61 0.00 0.00 178.31 178.02 1xhx n GLU 544 N -4.32 1.67 0.00 1.51 1.02 -1.26 -3.99 120.64 115.27 1xhx n GLU 544 Ca -0.01 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.11 1xhx n GLU 544 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1xhx n GLU 544 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xhx n ASN 545 N 0.28 0.09 -4.56 1.62 6.94 -1.11 -5.01 115.26 113.51 1xhx n ASN 545 Ca 0.14 -0.56 -0.41 0.00 -0.02 0.00 0.00 54.58 53.73 1xhx n ASN 545 Cb 0.28 0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.76 1xhx n ASN 545 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1xhx s PHE 546 N -0.08 2.31 0.13 -2.53 5.36 -0.79 -4.75 117.98 117.63 1xhx s PHE 546 Ca 0.00 0.08 -0.25 0.00 -0.96 0.00 0.00 56.93 55.80 1xhx s PHE 546 Cb 0.00 -4.58 0.07 0.00 -0.34 0.00 0.00 43.02 38.17 1xhx s PHE 546 CO 0.00 -2.00 0.85 -1.59 -1.46 0.00 0.00 175.22 171.02 1xhx s LYS 547 N 5.65 1.19 0.15 10.12 -2.85 -1.26 -5.02 119.74 127.72 1xhx s LYS 547 Ca 0.38 -0.58 -0.32 0.00 -1.00 0.00 0.00 55.97 54.45 1xhx s LYS 547 Cb -0.08 0.46 -0.12 0.00 -2.06 0.00 0.00 37.83 36.03 1xhx s LYS 547 CO 0.17 -0.54 1.77 0.28 0.10 0.00 0.00 175.35 177.14 1xhx n VAL 548 N -0.39 0.21 0.00 1.79 0.31 -1.26 -1.94 118.33 117.04 1xhx n VAL 548 Ca -0.08 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xhx n VAL 548 Cb 0.61 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1xhx n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xhx n GLY 549 N 4.06 0.83 2.88 2.92 0.00 0.60 -5.01 105.19 111.47 1xhx n GLY 549 Ca 0.17 -0.16 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 1xhx n GLY 549 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xhx n PHE 550 N 0.00 0.42 -3.74 1.61 7.35 -0.82 -4.50 117.46 117.78 1xhx n PHE 550 Ca 0.00 0.87 -0.13 0.00 -0.76 0.00 0.00 57.45 57.42 1xhx n PHE 550 Cb 0.00 -1.72 -0.09 0.00 0.35 0.00 0.00 39.48 38.02 1xhx n PHE 550 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1xhx s SER 551 N -0.09 -0.29 -0.13 -2.13 0.15 -1.26 -1.31 113.70 108.65 1xhx s SER 551 Ca 0.73 0.36 -0.23 0.00 0.70 0.00 0.00 55.95 57.51 1xhx s SER 551 Cb -1.02 0.49 0.06 0.00 -1.71 0.00 0.00 66.02 63.84 1xhx s SER 551 CO 0.47 -0.34 0.57 -0.13 1.20 0.00 0.00 173.24 175.01 1xhx s ARG 552 N -0.76 0.81 -1.09 5.44 1.81 -0.85 -4.99 118.95 119.31 1xhx s ARG 552 Ca -0.09 0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 54.35 1xhx s ARG 552 Cb -0.04 0.38 0.29 0.00 -0.45 0.00 0.00 34.95 35.13 1xhx s ARG 552 CO 0.03 -0.18 1.75 1.63 -0.68 0.00 0.00 175.30 177.85 1xhx n LYS 553 N 1.88 4.91 -0.01 3.54 5.02 -1.26 -0.17 118.16 132.06 1xhx n LYS 553 Ca -0.17 -4.46 0.00 0.00 -2.02 0.00 0.00 58.31 51.67 1xhx n LYS 553 Cb 0.56 -2.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.05 1xhx n LYS 553 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xhx n MET 554 N 0.85 2.17 -3.46 1.97 2.81 -1.07 -4.54 117.12 115.85 1xhx n MET 554 Ca 0.40 -1.30 -0.43 0.00 -1.81 0.00 0.00 57.70 54.55 1xhx n MET 554 Cb 0.29 -0.90 -0.06 0.00 -0.71 0.00 0.00 33.22 31.85 1xhx n MET 554 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1xhx s LYS 555 N -0.83 2.92 0.60 0.03 2.20 -1.13 -4.87 119.74 118.66 1xhx s LYS 555 Ca 0.01 -2.05 -0.20 0.00 -0.36 0.00 0.00 55.97 53.38 1xhx s LYS 555 Cb 0.01 -4.13 -0.03 0.00 -1.51 0.00 0.00 37.83 32.18 1xhx s LYS 555 CO 0.00 -1.25 1.33 -2.14 -0.36 0.00 0.00 175.35 172.93 1xhx s PRO 556 N 0.89 2.79 -0.11 4.03 0.02 -1.26 -1.90 135.00 139.46 1xhx s PRO 556 Ca 0.10 2.16 -0.08 0.00 0.02 0.00 0.00 61.00 63.20 1xhx s PRO 556 Cb -0.22 -2.03 0.04 0.00 0.02 0.00 0.00 34.50 32.31 1xhx s PRO 556 CO -0.02 -1.44 0.28 0.15 -0.33 0.00 0.00 177.00 175.63 1xhx s LYS 557 N -3.17 0.29 -0.30 5.54 1.02 -1.10 -4.85 119.74 117.17 1xhx s LYS 557 Ca 0.78 0.46 -0.35 0.00 0.02 0.00 0.00 55.97 56.88 1xhx s LYS 557 Cb -0.39 0.05 -0.11 0.00 -0.52 0.00 0.00 37.83 36.86 1xhx s LYS 557 CO 0.44 -0.09 2.13 -2.30 -0.92 0.00 0.00 175.35 174.61 1xhx n PRO 558 N 3.45 1.29 -3.89 -1.68 -0.02 -1.26 -3.23 135.00 129.66 1xhx n PRO 558 Ca -0.18 0.38 -0.33 0.00 -2.02 0.00 0.00 63.50 61.35 1xhx n PRO 558 Cb 0.56 -2.53 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1xhx n PRO 558 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xhx s VAL 559 N 6.82 2.85 -0.03 -1.45 1.01 -0.11 -4.96 120.40 124.53 1xhx s VAL 559 Ca 1.06 -2.50 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1xhx s VAL 559 Cb -0.80 -2.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1xhx s VAL 559 CO 0.49 -0.70 1.89 -1.10 0.00 0.00 0.00 175.10 175.68 1xhx s GLN 560 N 0.65 4.02 0.46 2.72 -0.21 -1.26 -2.71 119.66 123.32 1xhx s GLN 560 Ca 0.12 2.38 0.05 0.00 0.02 0.00 0.00 55.36 57.92 1xhx s GLN 560 Cb -0.22 -4.13 -0.04 0.00 1.00 0.00 0.00 33.01 29.62 1xhx s GLN 560 CO -0.05 -1.07 0.05 0.14 -2.12 0.00 0.00 175.29 172.24 1xhx s VAL 561 N 4.82 1.70 -0.05 1.09 -7.23 -1.18 -4.76 120.40 114.78 1xhx s VAL 561 Ca 0.85 -1.93 -0.33 0.00 -1.81 0.00 0.00 61.98 58.76 1xhx s VAL 561 Cb -0.38 -2.63 -0.11 0.00 0.56 0.00 0.00 36.38 33.82 1xhx s VAL 561 CO 0.37 0.00 1.90 -2.65 -0.31 0.00 0.00 175.10 174.41 1xhx n PRO 562 N -1.17 2.36 0.00 4.82 -0.02 -1.26 -2.62 135.00 137.11 1xhx n PRO 562 Ca -0.10 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1xhx n PRO 562 Cb 0.66 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1xhx n PRO 562 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhx n GLY 563 N 4.43 3.12 0.00 -1.23 0.00 -1.16 -4.39 105.19 105.96 1xhx n GLY 563 Ca 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1xhx n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhx n GLY 564 N 0.00 0.56 3.27 -0.02 0.00 -1.08 -4.13 105.19 103.80 1xhx n GLY 564 Ca 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1xhx n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhx s VAL 565 N 2.01 0.04 0.09 1.61 1.01 -1.26 -3.09 120.40 120.81 1xhx s VAL 565 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1xhx s VAL 565 Cb 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1xhx s VAL 565 CO 0.00 -0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.10 1xhx s VAL 566 N -1.06 1.02 -0.36 2.92 1.01 -1.10 -4.92 120.40 117.90 1xhx s VAL 566 Ca -0.11 -1.50 -0.12 0.00 0.00 0.00 0.00 61.98 60.24 1xhx s VAL 566 Cb -0.04 -1.23 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1xhx s VAL 566 CO 0.04 -0.42 0.23 -0.76 0.00 0.00 0.00 175.10 174.19 1xhx s LEU 567 N -2.16 4.67 -0.19 3.92 1.43 -1.26 -0.93 118.68 124.16 1xhx s LEU 567 Ca 0.02 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.35 1xhx s LEU 567 Cb -0.06 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1xhx s LEU 567 CO 0.01 -0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 175.55 1xhx s VAL 568 N 1.64 3.84 -0.21 -1.59 1.01 -1.20 -4.82 120.40 119.06 1xhx s VAL 568 Ca 0.04 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1xhx s VAL 568 Cb -0.18 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 1xhx s VAL 568 CO 0.09 0.45 2.19 0.47 0.00 0.00 0.00 175.10 178.29 1xhx n ASP 569 N 4.12 3.16 -4.82 3.32 8.00 -1.26 -2.70 116.55 126.37 1xhx n ASP 569 Ca -0.17 0.32 -0.19 0.00 0.71 0.00 0.00 54.79 55.46 1xhx n ASP 569 Cb 0.52 -1.50 0.06 0.00 -0.02 0.00 0.00 41.12 40.18 1xhx n ASP 569 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xhx n ASP 570 N 10.86 2.10 -4.86 -2.24 -0.08 -0.80 -4.84 116.55 116.70 1xhx n ASP 570 Ca 0.31 -2.52 -0.37 0.00 -1.51 0.00 0.00 54.79 50.71 1xhx n ASP 570 Cb 0.40 -0.37 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 1xhx n ASP 570 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1xhx s THR 571 N -2.48 5.14 -0.12 5.18 2.01 -1.26 -2.60 115.64 121.50 1xhx s THR 571 Ca 0.55 0.58 0.02 0.00 0.31 0.00 0.00 61.69 63.16 1xhx s THR 571 Cb -0.04 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1xhx s THR 571 CO 0.35 0.48 -0.19 0.12 -0.69 0.00 0.00 174.62 174.69 1xhx s PHE 572 N -1.19 2.34 -0.04 4.92 5.36 0.75 -4.91 117.98 125.23 1xhx s PHE 572 Ca 0.26 -1.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.14 1xhx s PHE 572 Cb -0.15 -1.62 0.01 0.00 -0.34 0.00 0.00 43.02 40.92 1xhx s PHE 572 CO 0.14 -0.52 -0.08 0.99 -1.46 0.00 0.00 175.22 174.30 1xhx s THR 573 N 0.79 0.72 -0.44 0.12 2.01 -1.26 -2.01 115.64 115.57 1xhx s THR 573 Ca -0.09 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 1xhx s THR 573 Cb -0.16 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.68 1xhx s THR 573 CO 0.00 0.25 1.43 -0.63 -0.69 0.00 0.00 174.62 174.98 1xhx s ILE 574 N 0.55 3.87 0.00 1.82 1.01 -0.42 -4.94 121.20 123.08 1xhx s ILE 574 Ca -0.09 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1xhx s ILE 574 Cb -0.12 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.11 1xhx s ILE 574 CO 0.01 -0.83 0.41 2.29 0.00 0.00 0.00 174.94 176.82