#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi1 s ARG 6 N 0.00 4.29 0.72 -0.52 0.52 -1.26 -5.03 118.95 117.68 1xi1 s ARG 6 Ca 0.00 0.62 -0.11 0.00 -0.52 0.00 0.00 55.73 55.72 1xi1 s ARG 6 Cb 0.00 -3.51 0.02 0.00 0.52 0.00 0.00 34.95 31.98 1xi1 s ARG 6 CO 0.00 -0.06 1.08 0.15 0.02 0.00 0.00 175.30 176.49 1xi1 s LYS 7 N 1.31 2.72 -0.05 3.54 1.02 -1.26 -4.88 119.74 122.14 1xi1 s LYS 7 Ca 0.30 0.63 -0.00 0.00 0.02 0.00 0.00 55.97 56.91 1xi1 s LYS 7 Cb -0.16 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1xi1 s LYS 7 CO 0.12 -1.17 -0.00 -1.64 -0.92 0.00 0.00 175.35 171.74 1xi1 s MET 8 N -5.23 0.52 0.23 1.68 -1.94 -1.26 -1.54 119.30 111.77 1xi1 s MET 8 Ca 0.59 0.07 0.11 0.00 -1.71 0.00 0.00 55.69 54.75 1xi1 s MET 8 Cb -0.13 -0.77 -0.05 0.00 2.01 0.00 0.00 34.83 35.89 1xi1 s MET 8 CO 0.53 -0.21 -0.21 0.71 -0.01 0.00 0.00 175.02 175.83 1xi1 s TYR 9 N 1.50 2.24 -0.30 -0.03 1.51 -0.44 -0.59 117.35 121.24 1xi1 s TYR 9 Ca -0.03 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1xi1 s TYR 9 Cb -0.13 -1.04 0.04 0.00 -0.11 0.00 0.00 41.96 40.72 1xi1 s TYR 9 CO -0.03 0.59 0.01 0.45 -1.11 0.00 0.00 175.55 175.46 1xi1 s SER 10 N -3.09 4.88 0.37 2.29 0.15 -0.02 -0.59 113.70 117.69 1xi1 s SER 10 Ca 0.25 -1.14 0.08 0.00 0.70 0.00 0.00 55.95 55.84 1xi1 s SER 10 Cb -0.06 -1.74 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 1xi1 s SER 10 CO 0.12 -0.24 0.12 0.00 1.20 0.00 0.00 173.24 174.43 1xi1 s ALA 12 N -2.52 -1.84 0.25 0.00 0.00 -0.59 -4.27 121.76 112.78 1xi1 s ALA 12 Ca 0.38 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.85 1xi1 s ALA 12 Cb 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1xi1 s ALA 12 CO 0.22 -0.38 -0.20 -0.06 0.00 0.00 0.00 175.76 175.33 1xi1 s PHE 13 N -1.37 2.22 -0.16 0.00 2.99 -1.26 -1.75 117.98 118.64 1xi1 s PHE 13 Ca -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 56.93 56.51 1xi1 s PHE 13 Cb -0.00 -1.01 0.04 0.00 0.00 0.00 0.00 43.02 42.05 1xi1 s PHE 13 CO 0.04 0.62 -0.06 -1.21 -0.00 0.00 0.00 175.22 174.60 1xi1 s GLU 14 N -3.28 1.53 0.36 0.44 0.41 0.62 -4.97 118.70 113.81 1xi1 s GLU 14 Ca 0.26 -0.49 0.09 0.00 -0.41 0.00 0.00 54.97 54.41 1xi1 s GLU 14 Cb -0.05 -1.97 -0.06 0.00 -1.78 0.00 0.00 34.13 30.27 1xi1 s GLU 14 CO 0.13 -0.39 0.01 0.95 -0.49 0.00 0.00 175.26 175.47 1xi1 s THR 15 N 1.62 2.41 0.69 3.63 -4.23 -1.26 -0.03 115.64 118.48 1xi1 s THR 15 Ca 0.01 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1xi1 s THR 15 Cb -0.15 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1xi1 s THR 15 CO -0.08 -0.14 1.07 -0.89 -0.54 0.00 0.00 174.62 174.03 1xi1 s THR 16 N -2.58 3.95 -1.41 3.99 2.01 0.99 -4.87 115.64 117.73 1xi1 s THR 16 Ca 0.35 0.63 0.12 0.00 0.31 0.00 0.00 61.69 63.10 1xi1 s THR 16 Cb 0.02 -3.52 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1xi1 s THR 16 CO 0.19 -0.83 0.85 0.35 -0.69 0.00 0.00 174.62 174.49 1xi1 n THR 17 N -3.03 0.00 -2.97 -0.82 -2.24 -1.26 -4.60 114.28 99.36 1xi1 n THR 17 Ca 0.07 -0.48 -0.40 0.00 -2.27 0.00 0.00 64.05 60.96 1xi1 n THR 17 Cb 0.55 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 1xi1 n THR 17 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xi1 s LYS 18 N -1.06 4.47 0.37 -0.78 1.02 -1.26 -4.77 119.74 117.73 1xi1 s LYS 18 Ca 0.13 1.01 0.05 0.00 0.02 0.00 0.00 55.97 57.18 1xi1 s LYS 18 Cb 0.10 -3.45 0.75 0.00 -0.52 0.00 0.00 37.83 34.71 1xi1 s LYS 18 CO 0.17 0.04 2.00 0.28 -0.92 0.00 0.00 175.35 176.92 1xi1 h VAL 19 N 4.77 1.08 -0.00 3.17 2.07 -1.97 -1.54 116.25 123.83 1xi1 h VAL 19 Ca -0.41 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1xi1 h VAL 19 Cb 1.20 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1xi1 h VAL 19 CO 0.75 0.13 -0.32 -0.62 0.02 0.00 0.00 177.57 177.54 1xi1 n GLU 20 N -4.46 0.56 -3.19 1.57 4.71 -1.26 -4.31 120.64 114.26 1xi1 n GLU 20 Ca 0.07 -0.32 -0.19 0.00 -0.01 0.00 0.00 57.16 56.72 1xi1 n GLU 20 Cb 0.13 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 1xi1 n GLU 20 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1xi1 n ASP 21 N -0.95 0.81 -4.63 1.62 2.03 -0.64 -5.03 116.55 109.77 1xi1 n ASP 21 Ca 0.10 -2.99 -0.41 0.00 0.52 0.00 0.00 54.79 52.02 1xi1 n ASP 21 Cb 0.34 -0.62 -0.06 0.00 -0.72 0.00 0.00 41.12 40.05 1xi1 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xi1 s ARG 23 N 2.46 1.17 -0.35 0.00 1.70 -1.26 -3.84 118.95 118.82 1xi1 s ARG 23 Ca 0.26 -0.52 -0.23 0.00 -0.47 0.00 0.00 55.73 54.77 1xi1 s ARG 23 Cb -0.16 0.48 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1xi1 s ARG 23 CO 0.09 -0.52 0.77 0.08 -1.08 0.00 0.00 175.30 174.64 1xi1 s VAL 24 N -3.45 4.76 -1.88 4.99 1.01 -1.26 -0.01 120.40 124.56 1xi1 s VAL 24 Ca 0.06 0.93 0.23 0.00 0.00 0.00 0.00 61.98 63.20 1xi1 s VAL 24 Cb -0.02 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1xi1 s VAL 24 CO -0.05 -0.38 1.11 -2.67 0.00 0.00 0.00 175.10 173.11 1xi1 n TRP 25 N 6.35 0.00 -3.61 5.22 4.27 0.96 -4.45 117.44 126.17 1xi1 n TRP 25 Ca 0.03 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.51 1xi1 n TRP 25 Cb 0.48 -0.01 -0.07 0.00 -1.36 0.00 0.00 31.31 30.35 1xi1 n TRP 25 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xi1 s ALA 26 N -2.55 -1.84 0.24 -1.67 0.00 -1.10 -4.37 121.76 110.47 1xi1 s ALA 26 Ca 0.18 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1xi1 s ALA 26 Cb 0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1xi1 s ALA 26 CO 0.61 -0.32 0.12 1.52 0.00 0.00 0.00 175.76 177.69 1xi1 s TYR 27 N 0.00 1.38 -0.23 0.00 -0.85 0.36 -0.27 117.35 117.73 1xi1 s TYR 27 Ca -0.01 -1.29 -0.27 0.00 -0.52 0.00 0.00 57.07 54.98 1xi1 s TYR 27 Cb -0.04 -0.74 0.12 0.00 0.38 0.00 0.00 41.96 41.68 1xi1 s TYR 27 CO 0.01 -0.50 1.00 0.20 -1.52 0.00 0.00 175.55 174.74 1xi1 s GLY 28 N -3.25 -0.22 0.02 5.49 0.00 -0.72 -2.05 107.32 106.59 1xi1 s GLY 28 Ca 0.38 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.50 1xi1 s GLY 28 CO 0.13 1.53 -0.03 -2.52 0.00 0.00 0.00 173.10 172.21 1xi1 s TYR 29 N -0.28 0.24 -0.01 1.90 -0.85 -0.69 -1.54 117.35 116.13 1xi1 s TYR 29 Ca 0.01 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 1xi1 s TYR 29 Cb -0.03 -0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.15 1xi1 s TYR 29 CO -0.03 -0.14 0.00 1.41 -1.52 0.00 0.00 175.55 175.27 1xi1 s MET 30 N -1.16 0.04 -0.47 -3.49 1.75 -0.74 -1.41 119.30 113.82 1xi1 s MET 30 Ca -0.12 0.04 -0.28 0.00 -1.25 0.00 0.00 55.69 54.07 1xi1 s MET 30 Cb -0.08 -0.12 -0.00 0.00 2.84 0.00 0.00 34.83 37.47 1xi1 s MET 30 CO -0.01 -0.04 1.63 1.21 -0.65 0.00 0.00 175.02 177.16 1xi1 s ASN 31 N 0.31 5.92 0.36 1.11 3.04 -0.03 -0.84 114.94 124.81 1xi1 s ASN 31 Ca -0.03 0.73 0.18 0.00 0.04 0.00 0.00 52.86 53.78 1xi1 s ASN 31 Cb -0.04 -2.53 1.17 0.00 -1.54 0.00 0.00 41.25 38.31 1xi1 s ASN 31 CO -0.01 -1.79 1.65 0.40 -3.04 0.00 0.00 177.10 174.31 1xi1 h ILE 32 N 6.64 0.25 0.05 -5.21 2.04 -1.18 0.44 117.51 120.54 1xi1 h ILE 32 Ca -0.29 -0.09 -0.27 0.00 1.00 0.00 0.00 64.86 65.22 1xi1 h ILE 32 Cb 1.13 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1xi1 h ILE 32 CO 1.12 0.05 -1.39 -0.33 0.00 0.00 0.00 178.15 177.60 1xi1 h GLU 33 N 0.25 0.10 -3.18 2.37 5.08 -1.89 -3.42 114.58 113.89 1xi1 h GLU 33 Ca 0.75 -0.18 -0.63 0.00 -1.00 0.00 0.00 59.36 58.31 1xi1 h GLU 33 Cb 1.87 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 30.78 1xi1 h GLU 33 CO -0.58 0.92 -0.68 0.34 -1.00 0.00 0.00 179.01 178.01 1xi1 s ASP 34 N -6.67 3.99 0.00 1.42 -1.08 0.12 -4.96 116.67 109.49 1xi1 s ASP 34 Ca -0.04 -2.85 0.03 0.00 -0.52 0.00 0.00 52.55 49.17 1xi1 s ASP 34 Cb 0.08 -1.35 0.20 0.00 -1.46 0.00 0.00 42.92 40.39 1xi1 s ASP 34 CO 0.83 -0.24 0.53 1.41 0.52 0.00 0.00 175.17 178.22 1xi1 n HIS 35 N 3.29 0.00 0.16 -5.34 8.25 -1.08 -1.32 115.22 119.18 1xi1 n HIS 35 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.65 1xi1 n HIS 35 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1xi1 n HIS 35 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xi1 n SER 36 N -0.71 0.77 -4.51 0.41 3.41 -1.26 -4.73 113.62 107.01 1xi1 n SER 36 Ca 0.02 0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 58.47 1xi1 n SER 36 Cb 0.01 0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 1xi1 n SER 36 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xi1 s GLU 37 N -3.35 3.27 -0.05 4.33 2.12 -0.43 -5.02 118.70 119.57 1xi1 s GLU 37 Ca -0.00 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 1xi1 s GLU 37 Cb 0.10 -3.93 0.11 0.00 0.26 0.00 0.00 34.13 30.67 1xi1 s GLU 37 CO 0.79 -0.86 0.89 1.52 -0.54 0.00 0.00 175.26 177.06 1xi1 s TYR 38 N 2.42 -0.39 -0.01 5.30 -0.85 -1.26 -0.85 117.35 121.71 1xi1 s TYR 38 Ca 0.17 0.44 -0.03 0.00 -0.52 0.00 0.00 57.07 57.13 1xi1 s TYR 38 Cb -0.16 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.68 1xi1 s TYR 38 CO 0.15 -0.50 0.06 0.21 -1.52 0.00 0.00 175.55 173.95 1xi1 s LYS 39 N -2.34 0.24 -0.11 -3.49 2.20 -0.50 -4.99 119.74 110.75 1xi1 s LYS 39 Ca 0.01 -0.19 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1xi1 s LYS 39 Cb -0.01 0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.44 1xi1 s LYS 39 CO -0.04 -0.04 -0.02 0.42 -0.36 0.00 0.00 175.35 175.31 1xi1 s ILE 40 N -0.67 0.62 0.36 5.43 1.01 -1.26 -1.70 121.20 124.99 1xi1 s ILE 40 Ca -0.07 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.46 1xi1 s ILE 40 Cb -0.05 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.59 1xi1 s ILE 40 CO 0.00 0.19 0.19 -0.83 0.00 0.00 0.00 174.94 174.49 1xi1 s GLY 41 N 1.86 2.43 -0.22 6.18 0.00 -0.87 -4.97 107.32 111.72 1xi1 s GLY 41 Ca 0.04 -1.63 0.11 0.00 0.00 0.00 0.00 44.72 43.24 1xi1 s GLY 41 CO -0.07 -1.65 1.27 1.16 0.00 0.00 0.00 173.10 173.81 1xi1 n ASN 42 N -1.35 1.90 -3.61 1.64 6.94 -1.26 -0.49 115.26 119.03 1xi1 n ASN 42 Ca 0.00 -3.85 -0.24 0.00 -0.02 0.00 0.00 54.58 50.47 1xi1 n ASN 42 Cb 0.64 -0.55 -0.17 0.00 -2.36 0.00 0.00 39.78 37.34 1xi1 n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1xi1 s SER 43 N -3.07 2.07 0.50 0.53 0.15 -1.26 -4.65 113.70 107.97 1xi1 s SER 43 Ca 0.39 -0.47 0.16 0.00 0.70 0.00 0.00 55.95 56.74 1xi1 s SER 43 Cb 0.37 -0.16 1.21 0.00 -1.71 0.00 0.00 66.02 65.73 1xi1 s SER 43 CO -0.05 -0.33 2.10 0.25 1.20 0.00 0.00 173.24 176.40 1xi1 h LEU 44 N 8.41 0.00 -0.41 3.45 5.85 -1.94 -0.80 115.31 129.88 1xi1 h LEU 44 Ca -0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1xi1 h LEU 44 Cb 1.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1xi1 h LEU 44 CO 0.27 0.06 0.15 0.44 -0.34 0.00 0.00 178.44 179.02 1xi1 h ASP 45 N 0.00 0.58 -0.35 1.25 5.19 -1.96 -0.37 116.42 120.76 1xi1 h ASP 45 Ca -0.00 -0.18 -0.03 0.00 -0.62 0.00 0.00 57.03 56.20 1xi1 h ASP 45 Cb 0.12 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 1xi1 h ASP 45 CO 0.01 0.60 0.12 -0.08 -3.12 0.00 0.00 179.24 176.77 1xi1 h GLU 46 N 0.52 0.54 -0.33 3.56 4.81 -1.62 -1.63 114.58 120.43 1xi1 h GLU 46 Ca 0.14 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1xi1 h GLU 46 Cb 0.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xi1 h GLU 46 CO -0.01 0.56 0.14 0.35 -0.73 0.00 0.00 179.01 179.32 1xi1 h PHE 47 N 0.42 0.25 -0.15 0.92 3.57 -1.03 -2.69 116.94 118.23 1xi1 h PHE 47 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1xi1 h PHE 47 Cb 0.24 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1xi1 h PHE 47 CO 0.01 0.12 -0.30 0.52 -2.23 0.00 0.00 178.31 176.43 1xi1 h MET 48 N 0.29 0.29 -0.74 1.11 2.86 -0.94 0.01 114.93 117.81 1xi1 h MET 48 Ca 0.15 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1xi1 h MET 48 Cb 0.09 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 1xi1 h MET 48 CO -0.13 0.57 0.47 0.00 1.06 0.00 0.00 176.91 178.88 1xi1 h ALA 49 N 1.44 0.96 -0.15 6.32 0.00 -1.09 0.33 119.26 127.07 1xi1 h ALA 49 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1xi1 h ALA 49 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1xi1 h ALA 49 CO 0.05 0.27 0.02 2.35 0.00 0.00 0.00 179.25 181.94 1xi1 h TRP 50 N 0.93 0.27 -0.56 0.00 7.01 -1.10 -2.93 115.95 119.57 1xi1 h TRP 50 Ca 0.29 -0.04 0.11 0.00 2.11 0.00 0.00 58.89 61.36 1xi1 h TRP 50 Cb -0.00 -0.07 -0.09 0.00 -2.10 0.00 0.00 29.16 26.90 1xi1 h TRP 50 CO -0.03 0.44 0.06 0.28 -2.79 0.00 0.00 178.44 176.40 1xi1 h VAL 51 N 0.02 0.61 0.00 2.65 2.07 -0.09 0.58 116.25 122.09 1xi1 h VAL 51 Ca 0.04 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1xi1 h VAL 51 Cb 0.32 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1xi1 h VAL 51 CO 0.00 0.03 -0.15 -0.07 0.02 0.00 0.00 177.57 177.41 1xi1 h LEU 52 N 0.19 0.00 0.12 2.57 3.38 -0.95 -3.25 115.31 117.36 1xi1 h LEU 52 Ca 0.29 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.96 1xi1 h LEU 52 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1xi1 h LEU 52 CO -0.42 0.15 -1.59 0.11 0.09 0.00 0.00 178.44 176.78 1xi1 h LYS 53 N 0.00 0.25 -4.23 1.13 1.57 -0.90 -3.43 116.57 110.96 1xi1 h LYS 53 Ca -0.00 -0.43 -0.52 0.00 -1.87 0.00 0.00 60.65 57.83 1xi1 h LYS 53 Cb 0.27 0.16 0.05 0.00 0.08 0.00 0.00 32.23 32.79 1xi1 h LYS 53 CO 0.02 1.21 2.17 0.28 -0.57 0.00 0.00 179.45 182.55 1xi1 n VAL 54 N -3.82 1.61 -1.14 0.50 0.31 0.03 -4.91 118.33 110.91 1xi1 n VAL 54 Ca -0.27 -1.23 -0.05 0.00 -0.01 0.00 0.00 64.34 62.78 1xi1 n VAL 54 Cb 0.94 -2.17 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 1xi1 n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xi1 n GLN 55 N 6.23 0.02 -1.37 5.55 6.02 -1.26 -4.73 117.38 127.84 1xi1 n GLN 55 Ca 0.44 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1xi1 n GLN 55 Cb 0.30 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1xi1 n GLN 55 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xi1 n ALA 56 N 6.75 0.00 -3.49 -1.58 0.00 -1.24 -4.46 120.51 116.49 1xi1 n ALA 56 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1xi1 n ALA 56 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1xi1 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xi1 s ASP 57 N -0.71 4.13 0.11 0.00 1.01 -0.59 -1.99 116.67 118.63 1xi1 s ASP 57 Ca 0.00 -0.40 0.05 0.00 0.71 0.00 0.00 52.55 52.91 1xi1 s ASP 57 Cb 0.00 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.20 1xi1 s ASP 57 CO 0.00 0.02 0.01 -0.76 0.21 0.00 0.00 175.17 174.65 1xi1 s LEU 58 N 1.23 3.45 -0.06 1.23 1.43 -0.12 -1.33 118.68 124.51 1xi1 s LEU 58 Ca 0.03 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1xi1 s LEU 58 Cb -0.14 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.92 1xi1 s LEU 58 CO -0.03 0.15 -0.13 -0.31 0.23 0.00 0.00 176.35 176.27 1xi1 s TYR 59 N -1.41 1.47 -0.04 0.29 1.51 0.24 0.03 117.35 119.45 1xi1 s TYR 59 Ca 0.26 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.88 1xi1 s TYR 59 Cb -0.11 -1.06 -0.01 0.00 -0.11 0.00 0.00 41.96 40.66 1xi1 s TYR 59 CO 0.19 -0.24 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.07 1xi1 s PHE 60 N 0.51 2.36 -0.52 2.71 0.40 -0.56 0.03 117.98 122.90 1xi1 s PHE 60 Ca -0.12 -0.58 -0.26 0.00 -0.60 0.00 0.00 56.93 55.37 1xi1 s PHE 60 Cb -0.14 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1xi1 s PHE 60 CO 0.03 -0.13 0.99 -1.58 0.70 0.00 0.00 175.22 175.23 1xi1 s HIS 61 N -0.37 2.81 0.00 0.36 2.46 -1.26 -0.76 115.29 118.53 1xi1 s HIS 61 Ca 0.03 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.81 1xi1 s HIS 61 Cb -0.12 -4.13 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 1xi1 s HIS 61 CO 0.01 -1.29 0.00 -1.71 -2.47 0.00 0.00 174.74 169.29 1xi1 n ASN 62 N 7.52 -1.92 0.06 9.88 5.15 -1.26 -4.89 115.26 129.80 1xi1 n ASN 62 Ca 0.05 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 54.19 1xi1 n ASN 62 Cb 0.48 -0.87 0.66 0.00 -0.53 0.00 0.00 39.78 39.52 1xi1 n ASN 62 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1xi1 h LEU 63 N 0.00 0.04 -1.95 1.20 5.85 -1.87 -2.28 115.31 116.31 1xi1 h LEU 63 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 1xi1 h LEU 63 Cb 0.96 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1xi1 h LEU 63 CO 0.00 0.02 0.51 0.50 -0.34 0.00 0.00 178.44 179.14 1xi1 h LYS 64 N 0.05 0.00 0.00 1.25 3.64 -1.93 0.91 116.57 120.48 1xi1 h LYS 64 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1xi1 h LYS 64 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1xi1 h LYS 64 CO -0.01 0.00 -0.39 0.35 -2.27 0.00 0.00 179.45 177.13 1xi1 h PHE 65 N 0.00 0.00 -0.84 1.91 3.57 -1.78 -3.37 116.94 116.43 1xi1 h PHE 65 Ca 0.26 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.79 1xi1 h PHE 65 Cb 1.28 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 1xi1 h PHE 65 CO 0.00 0.00 0.55 0.00 -2.23 0.00 0.00 178.31 176.63 1xi1 h ALA 66 N -1.19 1.46 0.00 2.41 0.00 -1.57 -2.22 119.26 118.16 1xi1 h ALA 66 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xi1 h ALA 66 Cb 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xi1 h ALA 66 CO 0.00 0.46 0.00 0.78 0.00 0.00 0.00 179.25 180.49 1xi1 h GLY 67 N 1.06 0.00 0.56 0.00 0.00 0.64 -2.47 103.07 102.86 1xi1 h GLY 67 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 1xi1 h GLY 67 CO -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.13 1xi1 h ALA 68 N 2.02 0.06 -0.28 3.60 0.00 -1.56 -2.07 119.26 121.03 1xi1 h ALA 68 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1xi1 h ALA 68 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xi1 h ALA 68 CO 0.00 0.15 0.07 0.74 0.00 0.00 0.00 179.25 180.21 1xi1 h PHE 69 N -0.36 0.40 -0.03 0.00 -1.00 -1.57 -1.63 116.94 112.74 1xi1 h PHE 69 Ca -0.04 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.72 1xi1 h PHE 69 Cb 1.05 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.48 1xi1 h PHE 69 CO 0.16 0.35 -0.02 0.82 -1.61 0.00 0.00 178.31 178.01 1xi1 h ILE 70 N 0.40 1.34 -0.20 -0.55 2.04 -1.41 -2.70 117.51 116.42 1xi1 h ILE 70 Ca 0.10 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1xi1 h ILE 70 Cb 0.15 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1xi1 h ILE 70 CO -0.00 0.28 -0.19 0.40 0.00 0.00 0.00 178.15 178.63 1xi1 h ILE 71 N -0.34 1.23 -0.95 -0.67 2.04 -1.20 -1.30 117.51 116.32 1xi1 h ILE 71 Ca 0.01 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 1xi1 h ILE 71 Cb 0.45 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 1xi1 h ILE 71 CO 0.00 0.33 0.58 0.78 0.00 0.00 0.00 178.15 179.84 1xi1 h ASN 72 N 0.32 1.14 -0.20 1.72 4.21 -1.26 -0.97 115.58 120.54 1xi1 h ASN 72 Ca 0.06 -0.07 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 1xi1 h ASN 72 Cb 0.52 -0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1xi1 h ASN 72 CO 0.03 0.87 -0.36 -0.25 -1.29 0.00 0.00 177.43 176.44 1xi1 h TRP 73 N 1.31 0.74 -0.10 1.19 7.01 -1.07 -3.06 115.95 121.97 1xi1 h TRP 73 Ca 0.34 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 61.08 1xi1 h TRP 73 Cb -0.06 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1xi1 h TRP 73 CO 0.01 1.00 0.05 -0.07 -2.79 0.00 0.00 178.44 176.64 1xi1 h LEU 74 N 0.26 0.08 -2.29 0.65 3.38 -0.93 -2.53 115.31 113.94 1xi1 h LEU 74 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xi1 h LEU 74 Cb 0.95 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1xi1 h LEU 74 CO 0.08 0.06 -0.01 -0.33 0.09 0.00 0.00 178.44 178.33 1xi1 h GLU 75 N 0.11 0.00 0.00 1.13 4.39 -1.24 -1.51 114.58 117.46 1xi1 h GLU 75 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xi1 h GLU 75 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1xi1 h GLU 75 CO -0.02 0.01 -0.57 0.54 -1.16 0.00 0.00 179.01 177.80 1xi1 n ARG 76 N -4.06 0.15 -2.38 2.33 1.74 -1.03 -4.39 116.66 109.01 1xi1 n ARG 76 Ca -0.03 0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.82 1xi1 n ARG 76 Cb 0.09 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1xi1 n ARG 76 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xi1 n ASN 77 N -1.81 4.83 0.00 0.55 3.02 -0.63 -4.93 115.26 116.29 1xi1 n ASN 77 Ca 0.04 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 1xi1 n ASN 77 Cb 0.39 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1xi1 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi1 n GLY 78 N -0.52 0.69 3.57 7.41 0.00 -1.24 -4.98 105.19 110.11 1xi1 n GLY 78 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.09 1xi1 n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xi1 s PHE 79 N -2.68 2.92 0.10 1.61 0.40 -0.82 -4.82 117.98 114.69 1xi1 s PHE 79 Ca 0.00 -0.00 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 1xi1 s PHE 79 Cb 0.00 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 1xi1 s PHE 79 CO 0.00 0.31 -0.12 -1.59 0.70 0.00 0.00 175.22 174.51 1xi1 s LYS 80 N -0.76 0.88 0.35 0.44 -2.85 -1.25 -3.72 119.74 112.84 1xi1 s LYS 80 Ca 0.12 -1.12 -0.28 0.00 -1.00 0.00 0.00 55.97 53.68 1xi1 s LYS 80 Cb -0.11 -0.72 -0.10 0.00 -2.06 0.00 0.00 37.83 34.84 1xi1 s LYS 80 CO 0.01 0.13 1.37 -0.46 0.10 0.00 0.00 175.35 176.51 1xi1 s TRP 81 N -2.02 2.88 -0.19 1.78 -0.00 -1.26 -1.95 118.94 118.19 1xi1 s TRP 81 Ca 0.04 1.33 -0.04 0.00 -0.00 0.00 0.00 56.10 57.43 1xi1 s TRP 81 Cb -0.06 -3.79 0.09 0.00 -0.00 0.00 0.00 33.47 29.71 1xi1 s TRP 81 CO 0.02 -2.25 0.30 0.45 -0.00 0.00 0.00 176.95 175.46 1xi1 s SER 82 N -0.39 0.56 0.60 5.86 0.15 0.07 -4.81 113.70 115.74 1xi1 s SER 82 Ca 0.51 0.30 0.30 0.00 0.70 0.00 0.00 55.95 57.75 1xi1 s SER 82 Cb -0.42 0.78 1.75 0.00 -1.71 0.00 0.00 66.02 66.43 1xi1 s SER 82 CO 0.56 -0.28 2.15 0.00 1.20 0.00 0.00 173.24 176.87 1xi1 h ALA 83 N 8.26 1.66 -1.96 5.45 0.00 -1.95 -3.30 119.26 127.42 1xi1 h ALA 83 Ca -0.17 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 1xi1 h ALA 83 Cb 1.14 0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.52 1xi1 h ALA 83 CO 0.21 -0.20 -0.89 -0.40 0.00 0.00 0.00 179.25 177.98 1xi1 n ASP 84 N -3.74 3.06 -2.68 0.00 5.75 -1.26 -5.02 116.55 112.67 1xi1 n ASP 84 Ca -0.00 -3.38 -0.15 0.00 -0.01 0.00 0.00 54.79 51.25 1xi1 n ASP 84 Cb 0.24 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 1xi1 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xi1 n GLY 85 N -0.10 -0.29 3.93 6.12 0.00 -1.24 -5.00 105.19 108.62 1xi1 n GLY 85 Ca 0.28 0.40 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 1xi1 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xi1 s LEU 86 N -2.35 4.27 0.52 0.99 1.43 -1.26 -5.06 118.68 117.21 1xi1 s LEU 86 Ca 0.08 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1xi1 s LEU 86 Cb -0.01 -3.08 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1xi1 s LEU 86 CO 0.42 -0.00 1.30 -2.65 0.23 0.00 0.00 176.35 175.64 1xi1 n PRO 87 N -0.57 1.69 -3.64 1.29 -0.02 -1.26 -2.73 135.00 129.75 1xi1 n PRO 87 Ca -0.05 0.62 -0.23 0.00 -2.02 0.00 0.00 63.50 61.81 1xi1 n PRO 87 Cb 0.54 -2.48 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1xi1 n PRO 87 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1xi1 n ASN 88 N -0.64 -3.98 -4.11 2.55 4.13 -0.39 -4.96 115.26 107.87 1xi1 n ASN 88 Ca 0.10 -0.66 -0.11 0.00 1.68 0.00 0.00 54.58 55.59 1xi1 n ASN 88 Cb 0.43 -4.64 -0.09 0.00 -1.54 0.00 0.00 39.78 33.95 1xi1 n ASN 88 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1xi1 s THR 89 N -3.39 0.03 0.02 3.41 -4.23 -1.11 -3.77 115.64 106.60 1xi1 s THR 89 Ca 0.35 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1xi1 s THR 89 Cb -0.16 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1xi1 s THR 89 CO 0.77 -0.14 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.94 1xi1 s TYR 90 N -4.08 0.34 0.30 3.99 -0.85 -0.82 -1.71 117.35 114.51 1xi1 s TYR 90 Ca 0.29 -0.33 0.09 0.00 -0.52 0.00 0.00 57.07 56.60 1xi1 s TYR 90 Cb 0.05 -0.22 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 1xi1 s TYR 90 CO 0.07 -0.09 0.04 1.21 -1.52 0.00 0.00 175.55 175.27 1xi1 s ASN 91 N -0.94 4.56 0.19 -0.18 2.47 -0.39 -0.76 114.94 119.90 1xi1 s ASN 91 Ca -0.08 -0.71 -0.07 0.00 0.42 0.00 0.00 52.86 52.42 1xi1 s ASN 91 Cb -0.06 -0.79 -0.02 0.00 -1.45 0.00 0.00 41.25 38.93 1xi1 s ASN 91 CO -0.00 -0.11 0.27 0.42 -3.72 0.00 0.00 177.10 173.95 1xi1 s THR 92 N -2.37 0.03 -0.33 -5.21 -4.23 -1.26 -1.62 115.64 100.65 1xi1 s THR 92 Ca 0.34 -1.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.21 1xi1 s THR 92 Cb -0.05 -2.15 0.12 0.00 1.34 0.00 0.00 72.50 71.76 1xi1 s THR 92 CO 0.21 -0.15 0.18 -0.63 -0.54 0.00 0.00 174.62 173.69 1xi1 s ILE 93 N -4.05 0.22 -0.10 2.99 1.01 -0.68 -4.97 121.20 115.62 1xi1 s ILE 93 Ca 0.26 -1.44 0.02 0.00 0.00 0.00 0.00 60.65 59.49 1xi1 s ILE 93 Cb 0.04 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.34 1xi1 s ILE 93 CO 0.06 -0.87 -0.17 -0.63 0.00 0.00 0.00 174.94 173.33 1xi1 s ILE 94 N 1.40 1.61 0.85 2.92 1.01 -1.26 -0.53 121.20 127.19 1xi1 s ILE 94 Ca 0.14 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.95 1xi1 s ILE 94 Cb -0.20 -1.44 0.10 0.00 0.01 0.00 0.00 42.46 40.92 1xi1 s ILE 94 CO -0.13 0.46 1.17 -0.94 0.00 0.00 0.00 174.94 175.49 1xi1 s SER 95 N 0.81 4.12 0.49 3.58 1.04 -0.24 -1.97 113.70 121.54 1xi1 s SER 95 Ca -0.10 0.84 0.18 0.00 0.48 0.00 0.00 55.95 57.35 1xi1 s SER 95 Cb -0.16 -1.36 1.21 0.00 0.10 0.00 0.00 66.02 65.82 1xi1 s SER 95 CO 0.01 -2.15 2.04 -0.09 0.98 0.00 0.00 173.24 174.03 1xi1 h ARG 96 N -1.23 0.16 -0.01 4.02 2.43 -1.89 -0.87 114.38 116.99 1xi1 h ARG 96 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1xi1 h ARG 96 Cb 1.33 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1xi1 h ARG 96 CO 0.64 0.10 -0.08 -1.33 -1.51 0.00 0.00 179.97 177.79 1xi1 n MET 97 N -4.46 1.24 -0.15 0.20 2.81 -1.26 -4.87 117.12 110.63 1xi1 n MET 97 Ca 0.06 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 1xi1 n MET 97 Cb 0.35 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1xi1 n MET 97 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xi1 n GLY 98 N 1.21 0.91 3.65 3.03 0.00 -0.33 -5.07 105.19 108.59 1xi1 n GLY 98 Ca 0.17 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1xi1 n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xi1 s GLN 99 N -0.35 4.18 -0.12 1.61 -0.21 -1.26 -4.82 119.66 118.68 1xi1 s GLN 99 Ca 0.00 0.47 -0.21 0.00 0.02 0.00 0.00 55.36 55.63 1xi1 s GLN 99 Cb 0.00 -3.58 -0.03 0.00 1.00 0.00 0.00 33.01 30.39 1xi1 s GLN 99 CO 0.00 -0.21 0.62 -1.58 -2.12 0.00 0.00 175.29 172.00 1xi1 s TRP 100 N 1.84 3.50 -0.02 0.91 0.52 -1.26 -1.08 118.94 123.35 1xi1 s TRP 100 Ca 0.25 1.06 0.02 0.00 0.02 0.00 0.00 56.10 57.45 1xi1 s TRP 100 Cb -0.16 -2.74 -0.03 0.00 -1.15 0.00 0.00 33.47 29.39 1xi1 s TRP 100 CO 0.10 0.03 0.02 0.66 0.02 0.00 0.00 176.95 177.78 1xi1 n TYR 101 N 4.15 0.00 -3.63 -1.98 4.02 0.31 -4.72 117.16 115.31 1xi1 n TYR 101 Ca -0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.78 1xi1 n TYR 101 Cb 0.51 -0.11 -0.07 0.00 -0.02 0.00 0.00 39.34 39.65 1xi1 n TYR 101 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1xi1 s MET 102 N -2.10 0.47 -0.26 -0.72 0.00 -1.17 -4.09 119.30 111.42 1xi1 s MET 102 Ca -0.01 0.45 0.01 0.00 0.00 0.00 0.00 55.69 56.14 1xi1 s MET 102 Cb 0.01 0.23 0.07 0.00 0.00 0.00 0.00 34.83 35.14 1xi1 s MET 102 CO 0.11 -0.08 -0.01 0.42 0.00 0.00 0.00 175.02 175.46 1xi1 s ILE 103 N -0.05 1.51 -0.41 10.11 1.01 -0.45 -1.68 121.20 131.24 1xi1 s ILE 103 Ca 0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.11 1xi1 s ILE 103 Cb -0.04 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1xi1 s ILE 103 CO -0.06 -0.29 0.29 -0.62 0.00 0.00 0.00 174.94 174.26 1xi1 s ASP 104 N 1.37 6.07 -0.44 3.58 -1.08 -0.64 0.41 116.67 125.93 1xi1 s ASP 104 Ca -0.00 -0.92 -0.15 0.00 -0.52 0.00 0.00 52.55 50.96 1xi1 s ASP 104 Cb -0.19 -2.14 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1xi1 s ASP 104 CO -0.10 -0.45 0.36 -0.63 0.52 0.00 0.00 175.17 174.88 1xi1 s ILE 105 N 1.66 5.24 -0.42 4.11 1.01 -0.43 -1.26 121.20 131.10 1xi1 s ILE 105 Ca 0.05 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 1xi1 s ILE 105 Cb -0.19 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.26 1xi1 s ILE 105 CO 0.10 -0.46 0.50 0.00 0.00 0.00 0.00 174.94 175.07 1xi1 h LEU 107 N 9.24 0.00 0.00 0.00 3.38 -0.89 -1.00 115.31 126.05 1xi1 h LEU 107 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xi1 h LEU 107 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1xi1 h LEU 107 CO 0.82 0.77 0.00 0.61 0.09 0.00 0.00 178.44 180.74 1xi1 n GLY 108 N 1.19 -1.13 3.70 0.83 0.00 -1.17 -3.45 105.19 105.16 1xi1 n GLY 108 Ca 0.01 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 1xi1 n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 109 N -2.05 2.77 0.00 1.61 1.51 -1.26 0.22 117.35 120.14 1xi1 s TYR 109 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1xi1 s TYR 109 Cb 0.00 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 1xi1 s TYR 109 CO 0.00 0.54 0.00 1.63 -1.11 0.00 0.00 175.55 176.61 1xi1 n LYS 110 N -1.00 0.00 0.16 -0.62 4.76 -0.68 -4.88 118.16 115.90 1xi1 n LYS 110 Ca -0.06 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.31 1xi1 n LYS 110 Cb 0.59 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.75 1xi1 n LYS 110 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1xi1 h GLY 111 N 0.00 -0.47 -0.05 0.72 0.00 -2.01 -3.44 103.07 97.83 1xi1 h GLY 111 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1xi1 h GLY 111 CO 0.00 -0.17 0.00 1.17 0.00 0.00 0.00 176.54 177.54 1xi1 n LYS 112 N -4.16 0.00 -3.59 4.80 0.00 -1.26 -5.10 118.16 108.86 1xi1 n LYS 112 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.89 1xi1 n LYS 112 Cb 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.14 1xi1 n LYS 112 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1xi1 s ARG 113 N 0.00 4.12 0.19 1.64 1.70 -1.26 -5.06 118.95 120.29 1xi1 s ARG 113 Ca 0.00 0.07 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 1xi1 s ARG 113 Cb 0.00 -3.38 -0.09 0.00 -0.57 0.00 0.00 34.95 30.92 1xi1 s ARG 113 CO 0.00 0.35 1.29 0.21 -1.08 0.00 0.00 175.30 176.07 1xi1 s LYS 114 N 0.13 4.40 -0.61 3.89 2.20 -1.26 -1.69 119.74 126.80 1xi1 s LYS 114 Ca 0.16 2.02 -0.19 0.00 -0.36 0.00 0.00 55.97 57.60 1xi1 s LYS 114 Cb -0.13 -3.20 0.11 0.00 -1.51 0.00 0.00 37.83 33.09 1xi1 s LYS 114 CO 0.04 -0.23 0.73 0.42 -0.36 0.00 0.00 175.35 175.96 1xi1 s ILE 115 N 0.10 4.81 0.25 5.43 -1.09 0.59 -4.93 121.20 126.36 1xi1 s ILE 115 Ca 0.56 -1.01 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1xi1 s ILE 115 Cb -0.36 -4.51 -0.02 0.00 -1.58 0.00 0.00 42.46 35.99 1xi1 s ILE 115 CO 0.38 -1.16 0.30 -1.38 -1.23 0.00 0.00 174.94 171.85 1xi1 s HIS 116 N 2.70 0.99 -0.18 3.97 -3.43 -1.26 -0.23 115.29 117.85 1xi1 s HIS 116 Ca 0.13 -1.22 -0.01 0.00 -0.80 0.00 0.00 55.06 53.16 1xi1 s HIS 116 Cb -0.23 -0.29 0.05 0.00 -1.43 0.00 0.00 32.58 30.68 1xi1 s HIS 116 CO 0.06 -0.84 -0.01 0.99 -2.00 0.00 0.00 174.74 172.93 1xi1 s THR 117 N -3.86 0.83 -0.15 -5.38 2.01 -0.73 -3.73 115.64 104.62 1xi1 s THR 117 Ca 0.33 -0.60 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 1xi1 s THR 117 Cb 0.03 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.34 1xi1 s THR 117 CO 0.14 -0.04 0.07 -0.69 -0.69 0.00 0.00 174.62 173.41 1xi1 s VAL 118 N 1.74 4.84 -0.14 3.82 1.01 -0.84 -1.32 120.40 129.50 1xi1 s VAL 118 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1xi1 s VAL 118 Cb -0.16 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1xi1 s VAL 118 CO -0.07 0.52 -0.02 -0.63 0.00 0.00 0.00 175.10 174.90 1xi1 s ILE 119 N -0.11 4.11 0.43 2.22 1.01 0.16 -0.94 121.20 128.08 1xi1 s ILE 119 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1xi1 s ILE 119 Cb -0.12 -2.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 1xi1 s ILE 119 CO 0.01 0.52 0.03 -0.31 0.00 0.00 0.00 174.94 175.20 1xi1 s TYR 120 N -0.01 2.09 -0.32 3.97 1.51 0.10 -1.34 117.35 123.36 1xi1 s TYR 120 Ca 0.02 -0.91 -0.09 0.00 -1.01 0.00 0.00 57.07 55.08 1xi1 s TYR 120 Cb -0.13 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.18 1xi1 s TYR 120 CO 0.02 0.19 0.15 0.34 -1.11 0.00 0.00 175.55 175.14 1xi1 s ASP 121 N -3.71 5.50 0.51 2.29 2.15 -1.26 -1.49 116.67 120.66 1xi1 s ASP 121 Ca 0.24 -0.69 0.32 0.00 0.43 0.00 0.00 52.55 52.85 1xi1 s ASP 121 Cb 0.06 -1.98 1.28 0.00 -0.30 0.00 0.00 42.92 41.98 1xi1 s ASP 121 CO 0.12 -0.24 1.94 0.77 -0.17 0.00 0.00 175.17 177.58 1xi1 h SER 122 N 8.34 0.00 0.38 -0.34 4.64 -1.28 -2.11 113.55 123.18 1xi1 h SER 122 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1xi1 h SER 122 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1xi1 h SER 122 CO 0.62 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 176.47 1xi1 n LEU 123 N -2.97 0.60 0.09 5.97 7.94 -1.26 -0.65 117.00 126.71 1xi1 n LEU 123 Ca 0.01 0.71 0.08 0.00 -1.11 0.00 0.00 56.01 55.70 1xi1 n LEU 123 Cb 0.31 -0.69 -0.02 0.00 0.53 0.00 0.00 43.42 43.55 1xi1 n LEU 123 CO 0.26 -0.74 -0.03 0.11 -1.11 0.00 0.00 177.39 175.89 1xi1 h LYS 124 N 0.00 0.00 0.03 1.96 1.79 -1.70 -3.08 116.57 115.57 1xi1 h LYS 124 Ca 0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1xi1 h LYS 124 Cb 0.19 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.79 1xi1 h LYS 124 CO 0.00 0.08 -1.99 1.63 -1.08 0.00 0.00 179.45 178.09 1xi1 n LYS 125 N -2.75 0.67 -3.67 3.15 5.02 -0.27 -2.09 118.16 118.21 1xi1 n LYS 125 Ca -0.02 0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 1xi1 n LYS 125 Cb 0.63 -1.69 -0.12 0.00 -0.02 0.00 0.00 35.03 33.83 1xi1 n LYS 125 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xi1 s LEU 126 N -6.21 2.78 -0.14 -0.35 1.43 0.17 -4.41 118.68 111.95 1xi1 s LEU 126 Ca -0.13 -2.96 -0.03 0.00 -1.03 0.00 0.00 54.13 49.98 1xi1 s LEU 126 Cb 0.07 -1.00 -0.12 0.00 0.03 0.00 0.00 46.19 45.17 1xi1 s LEU 126 CO 0.79 -0.21 2.07 -0.81 0.23 0.00 0.00 176.35 178.42 1xi1 n PRO 127 N 3.09 1.16 -4.04 1.29 -0.04 -1.16 -4.38 135.00 130.91 1xi1 n PRO 127 Ca 0.16 -0.65 -0.10 0.00 -0.04 0.00 0.00 63.50 62.86 1xi1 n PRO 127 Cb 0.38 -1.87 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 1xi1 n PRO 127 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xi1 s PHE 128 N 2.26 0.62 0.75 0.54 0.40 -1.26 -5.09 117.98 116.19 1xi1 s PHE 128 Ca 0.34 -0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1xi1 s PHE 128 Cb 0.15 -0.21 0.04 0.00 0.51 0.00 0.00 43.02 43.51 1xi1 s PHE 128 CO -0.01 -0.69 1.08 -2.14 0.70 0.00 0.00 175.22 174.17 1xi1 s PRO 129 N -4.02 2.45 0.20 0.24 0.02 -1.26 -4.81 135.00 127.82 1xi1 s PRO 129 Ca 0.22 1.06 -0.11 0.00 0.02 0.00 0.00 61.00 62.20 1xi1 s PRO 129 Cb 0.04 -1.93 0.18 0.00 0.02 0.00 0.00 34.50 32.81 1xi1 s PRO 129 CO 0.03 -1.47 1.82 0.28 -0.33 0.00 0.00 177.00 177.33 1xi1 h VAL 130 N -1.00 1.03 0.16 3.83 2.07 -1.98 -1.09 116.25 119.26 1xi1 h VAL 130 Ca -0.44 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1xi1 h VAL 130 Cb 1.23 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xi1 h VAL 130 CO 0.54 0.13 -0.08 0.11 0.02 0.00 0.00 177.57 178.29 1xi1 h LYS 131 N 0.71 -0.20 -0.42 1.57 1.79 -1.99 -0.67 116.57 117.36 1xi1 h LYS 131 Ca 0.26 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.82 1xi1 h LYS 131 Cb 0.08 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.71 1xi1 h LYS 131 CO -0.13 -0.11 0.02 -0.22 -1.08 0.00 0.00 179.45 177.94 1xi1 h LYS 132 N -0.25 0.13 -0.49 3.15 3.64 -1.87 0.74 116.57 121.63 1xi1 h LYS 132 Ca -0.02 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1xi1 h LYS 132 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1xi1 h LYS 132 CO 0.04 0.09 0.33 0.82 -2.27 0.00 0.00 179.45 178.45 1xi1 h ILE 133 N 0.14 0.94 -0.24 2.00 2.04 -0.93 0.73 117.51 122.19 1xi1 h ILE 133 Ca 0.21 -0.12 -0.13 0.00 1.00 0.00 0.00 64.86 65.81 1xi1 h ILE 133 Cb 0.28 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1xi1 h ILE 133 CO -0.32 0.07 -0.35 0.00 0.00 0.00 0.00 178.15 177.55 1xi1 h ALA 134 N 1.74 0.36 0.54 1.87 0.00 0.66 -1.86 119.26 122.57 1xi1 h ALA 134 Ca 0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1xi1 h ALA 134 Cb 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xi1 h ALA 134 CO -0.05 0.42 -0.26 -0.22 0.00 0.00 0.00 179.25 179.14 1xi1 h LYS 135 N 0.36 -0.70 -0.58 0.00 3.64 -0.09 0.98 116.57 120.18 1xi1 h LYS 135 Ca 0.02 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1xi1 h LYS 135 Cb 0.93 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1xi1 h LYS 135 CO 0.08 -0.43 0.38 -0.44 -2.27 0.00 0.00 179.45 176.77 1xi1 h ASP 136 N -1.15 0.55 -0.05 4.20 3.32 -1.01 -1.15 116.42 121.12 1xi1 h ASP 136 Ca -0.07 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1xi1 h ASP 136 Cb 0.59 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1xi1 h ASP 136 CO 0.12 0.37 0.00 0.49 -1.72 0.00 0.00 179.24 178.50 1xi1 n PHE 137 N -4.47 0.06 -3.54 4.55 3.01 -0.70 -3.69 117.46 112.68 1xi1 n PHE 137 Ca 0.07 -0.03 -0.25 0.00 1.01 0.00 0.00 57.45 58.26 1xi1 n PHE 137 Cb 0.17 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.68 1xi1 n PHE 137 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xi1 n LYS 138 N 0.13 -1.45 -5.07 -1.08 5.02 -0.44 -3.86 118.16 111.41 1xi1 n LYS 138 Ca 0.18 0.66 -0.31 0.00 -2.02 0.00 0.00 58.31 56.83 1xi1 n LYS 138 Cb 0.33 -4.52 -0.15 0.00 -0.02 0.00 0.00 35.03 30.67 1xi1 n LYS 138 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xi1 s LEU 139 N -5.91 2.21 0.10 -0.35 1.43 0.29 -5.00 118.68 111.45 1xi1 s LEU 139 Ca 0.40 -0.48 -0.32 0.00 -1.03 0.00 0.00 54.13 52.70 1xi1 s LEU 139 Cb -0.12 -1.36 -0.11 0.00 0.03 0.00 0.00 46.19 44.63 1xi1 s LEU 139 CO 0.83 0.30 1.82 0.41 0.23 0.00 0.00 176.35 179.93 1xi1 n THR 140 N 2.13 0.37 -4.51 5.49 -1.04 -1.26 -4.60 114.28 110.85 1xi1 n THR 140 Ca -0.16 -0.07 -0.23 0.00 -2.04 0.00 0.00 64.05 61.55 1xi1 n THR 140 Cb 0.52 -2.03 -0.16 0.00 -1.82 0.00 0.00 70.33 66.83 1xi1 n THR 140 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1xi1 s VAL 141 N 2.75 1.01 0.11 12.58 0.11 -1.26 -4.87 120.40 130.83 1xi1 s VAL 141 Ca 0.83 -0.42 -0.31 0.00 -2.93 0.00 0.00 61.98 59.15 1xi1 s VAL 141 Cb -0.53 -0.93 -0.08 0.00 -1.53 0.00 0.00 36.38 33.31 1xi1 s VAL 141 CO 0.39 0.32 1.43 -0.76 -3.33 0.00 0.00 175.10 173.16 1xi1 s LEU 142 N 0.62 4.36 0.19 2.54 1.43 -1.26 -4.96 118.68 121.60 1xi1 s LEU 142 Ca -0.12 2.35 -0.31 0.00 -1.03 0.00 0.00 54.13 55.02 1xi1 s LEU 142 Cb -0.15 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 1xi1 s LEU 142 CO 0.03 -0.70 1.42 -0.54 0.23 0.00 0.00 176.35 176.79 1xi1 s LYS 143 N 1.36 4.30 0.73 1.70 3.01 -1.26 -4.80 119.74 124.78 1xi1 s LYS 143 Ca 0.66 2.21 0.00 0.00 -1.01 0.00 0.00 55.97 57.82 1xi1 s LYS 143 Cb -0.37 -3.17 0.00 0.00 -1.01 0.00 0.00 37.83 33.28 1xi1 s LYS 143 CO 0.30 -0.42 0.00 0.41 0.51 0.00 0.00 175.35 176.15 1xi1 n GLY 144 N 2.84 -1.97 3.65 -3.33 0.00 -1.26 -5.06 105.19 100.06 1xi1 n GLY 144 Ca 0.09 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 1xi1 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xi1 s ASP 145 N -4.00 -0.34 0.36 1.61 -1.08 -1.26 -5.12 116.67 106.83 1xi1 s ASP 145 Ca 0.00 -0.28 -0.27 0.00 -0.52 0.00 0.00 52.55 51.48 1xi1 s ASP 145 Cb 0.00 0.58 -0.12 0.00 -1.46 0.00 0.00 42.92 41.92 1xi1 s ASP 145 CO 0.00 -1.01 1.18 -0.38 0.52 0.00 0.00 175.17 175.48 1xi1 n ILE 146 N -0.40 2.16 -2.01 4.11 5.41 -1.26 -4.80 119.36 122.57 1xi1 n ILE 146 Ca -0.09 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.86 1xi1 n ILE 146 Cb 0.62 -1.37 -0.06 0.00 -0.71 0.00 0.00 39.64 38.11 1xi1 n ILE 146 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1xi1 n ASP 147 N 0.73 3.14 0.00 4.38 -0.08 -1.26 -4.63 116.55 118.83 1xi1 n ASP 147 Ca 0.07 -2.71 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1xi1 n ASP 147 Cb 0.36 -1.68 0.00 0.00 2.34 0.00 0.00 41.12 42.14 1xi1 n ASP 147 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1xi1 n TYR 148 N 13.35 0.00 -1.03 -0.67 0.53 -1.26 -0.86 117.16 127.22 1xi1 n TYR 148 Ca 0.46 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.41 1xi1 n TYR 148 Cb 0.46 -0.13 0.25 0.00 -1.03 0.00 0.00 39.34 38.89 1xi1 n TYR 148 CO 0.00 0.00 0.00 1.58 -1.02 0.00 0.00 176.86 177.42 1xi1 n HIS 149 N -1.02 0.91 -4.15 -0.72 -0.00 -1.26 -4.84 115.22 104.14 1xi1 n HIS 149 Ca 0.00 -0.94 -0.30 0.00 0.46 0.00 0.00 57.72 56.94 1xi1 n HIS 149 Cb 0.19 -0.32 -0.08 0.00 -0.12 0.00 0.00 29.99 29.65 1xi1 n HIS 149 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1xi1 s LYS 150 N -2.87 2.55 0.05 1.57 2.20 -0.04 -5.05 119.74 118.15 1xi1 s LYS 150 Ca 0.42 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1xi1 s LYS 150 Cb 0.34 -2.54 -0.09 0.00 -1.51 0.00 0.00 37.83 34.03 1xi1 s LYS 150 CO 0.08 0.55 1.95 -2.00 -0.36 0.00 0.00 175.35 175.57 1xi1 s GLU 151 N -2.24 4.14 -0.44 4.03 2.12 -1.26 -4.96 118.70 120.09 1xi1 s GLU 151 Ca 0.25 2.61 0.02 0.00 0.36 0.00 0.00 54.97 58.21 1xi1 s GLU 151 Cb -0.12 -4.10 0.15 0.00 0.26 0.00 0.00 34.13 30.32 1xi1 s GLU 151 CO 0.17 -0.94 0.27 1.03 -0.54 0.00 0.00 175.26 175.26 1xi1 s ARG 152 N 4.26 1.15 0.85 4.30 0.52 -1.26 -5.10 118.95 123.68 1xi1 s ARG 152 Ca 0.88 -1.99 -0.12 0.00 -0.52 0.00 0.00 55.73 53.97 1xi1 s ARG 152 Cb -0.43 -2.03 0.10 0.00 0.52 0.00 0.00 34.95 33.12 1xi1 s ARG 152 CO 0.41 -1.23 1.12 -1.25 0.02 0.00 0.00 175.30 174.38 1xi1 s PRO 153 N 0.30 1.61 0.24 3.54 0.04 -1.26 -4.87 135.00 134.59 1xi1 s PRO 153 Ca 0.21 0.42 -0.31 0.00 0.04 0.00 0.00 61.00 61.36 1xi1 s PRO 153 Cb -0.17 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1xi1 s PRO 153 CO -0.05 -1.90 1.53 0.28 0.04 0.00 0.00 177.00 176.90 1xi1 n VAL 154 N -3.59 0.69 0.00 -0.36 0.31 -1.26 -0.97 118.33 113.16 1xi1 n VAL 154 Ca 0.07 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1xi1 n VAL 154 Cb 0.58 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1xi1 n VAL 154 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xi1 n GLY 155 N 2.58 0.23 3.65 2.92 0.00 -1.26 -5.04 105.19 108.26 1xi1 n GLY 155 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1xi1 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xi1 n TYR 156 N -1.85 2.00 -3.56 1.61 9.36 -0.14 -4.96 117.16 119.61 1xi1 n TYR 156 Ca 0.00 0.45 -0.39 0.00 3.32 0.00 0.00 57.90 61.28 1xi1 n TYR 156 Cb 0.00 -2.44 -0.11 0.00 -0.63 0.00 0.00 39.34 36.16 1xi1 n TYR 156 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1xi1 s LYS 157 N 0.00 3.75 -0.07 2.98 2.36 -1.26 -4.96 119.74 122.54 1xi1 s LYS 157 Ca 0.73 -0.46 -0.29 0.00 -2.55 0.00 0.00 55.97 53.39 1xi1 s LYS 157 Cb -0.72 -3.73 -0.07 0.00 -1.05 0.00 0.00 37.83 32.27 1xi1 s LYS 157 CO 0.47 -0.30 1.97 0.42 1.55 0.00 0.00 175.35 179.46 1xi1 s ILE 158 N 1.74 3.14 0.62 5.43 1.01 -1.26 -4.96 121.20 126.92 1xi1 s ILE 158 Ca 0.07 0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1xi1 s ILE 158 Cb -0.17 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1xi1 s ILE 158 CO 0.11 -0.04 1.11 0.42 0.00 0.00 0.00 174.94 176.54 1xi1 s THR 159 N 5.50 3.28 0.38 2.92 -4.23 -1.26 -4.80 115.64 117.43 1xi1 s THR 159 Ca 0.88 0.66 0.15 0.00 -1.18 0.00 0.00 61.69 62.20 1xi1 s THR 159 Cb -0.37 -3.19 0.36 0.00 1.34 0.00 0.00 72.50 70.64 1xi1 s THR 159 CO 0.37 -0.31 1.82 -0.65 -0.54 0.00 0.00 174.62 175.32 1xi1 h PRO 160 N 0.44 0.49 0.46 3.99 0.11 -1.98 -0.30 132.00 135.21 1xi1 h PRO 160 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1xi1 h PRO 160 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xi1 h PRO 160 CO 0.55 0.33 -0.22 1.49 -0.21 0.00 0.00 178.00 179.94 1xi1 h GLU 161 N 0.51 -0.59 -0.76 1.05 4.81 -2.00 -2.32 114.58 115.27 1xi1 h GLU 161 Ca 0.51 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.85 1xi1 h GLU 161 Cb 1.14 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1xi1 h GLU 161 CO -0.24 -0.30 0.50 0.93 -0.73 0.00 0.00 179.01 179.16 1xi1 h GLU 162 N -0.81 0.78 -0.67 1.92 5.08 -1.80 -0.10 114.58 118.98 1xi1 h GLU 162 Ca -0.06 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 1xi1 h GLU 162 Cb 0.56 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1xi1 h GLU 162 CO 0.10 0.52 0.44 -0.92 -1.00 0.00 0.00 179.01 178.15 1xi1 h TYR 163 N 0.80 0.64 -0.00 4.33 3.20 -0.86 -1.43 116.97 123.65 1xi1 h TYR 163 Ca 0.33 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 62.03 1xi1 h TYR 163 Cb 0.25 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1xi1 h TYR 163 CO -0.00 0.33 -0.84 0.00 -1.64 0.00 0.00 178.16 176.00 1xi1 h ALA 164 N 1.65 0.58 -0.23 1.82 0.00 -0.46 -2.80 119.26 119.81 1xi1 h ALA 164 Ca 0.30 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1xi1 h ALA 164 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xi1 h ALA 164 CO -0.10 0.93 -0.39 1.88 0.00 0.00 0.00 179.25 181.57 1xi1 h TYR 165 N 0.08 0.62 0.01 0.00 -1.99 -0.96 -0.14 116.97 114.60 1xi1 h TYR 165 Ca -0.03 -0.18 -0.00 0.00 2.00 0.00 0.00 58.73 60.52 1xi1 h TYR 165 Cb 1.46 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 40.06 1xi1 h TYR 165 CO 0.02 0.84 -0.01 0.82 -0.00 0.00 0.00 178.16 179.84 1xi1 h ILE 166 N 0.44 1.30 -0.80 -2.88 2.04 -1.42 -0.96 117.51 115.24 1xi1 h ILE 166 Ca 0.04 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.02 1xi1 h ILE 166 Cb 0.88 1.95 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1xi1 h ILE 166 CO 0.07 0.25 0.47 0.50 0.00 0.00 0.00 178.15 179.44 1xi1 h LYS 167 N -0.43 0.81 0.28 2.37 3.64 -1.42 -1.58 116.57 120.23 1xi1 h LYS 167 Ca -0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xi1 h LYS 167 Cb 0.42 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xi1 h LYS 167 CO 0.00 0.54 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.61 1xi1 h ASN 168 N 0.83 -0.32 -0.47 4.20 -0.00 -0.91 -0.39 115.58 118.53 1xi1 h ASN 168 Ca 0.37 -0.06 0.09 0.00 -0.00 0.00 0.00 56.30 56.69 1xi1 h ASN 168 Cb 0.25 0.08 -0.07 0.00 -0.00 0.00 0.00 38.32 38.58 1xi1 h ASN 168 CO -0.20 -0.14 0.03 0.44 -0.00 0.00 0.00 177.43 177.55 1xi1 h ASP 169 N -0.47 -0.14 1.45 1.15 3.32 -0.78 0.14 116.42 121.09 1xi1 h ASP 169 Ca -0.04 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1xi1 h ASP 169 Cb 0.36 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xi1 h ASP 169 CO 0.06 -0.04 -0.04 0.16 -1.72 0.00 0.00 179.24 177.66 1xi1 h ILE 170 N 0.14 0.09 0.19 0.35 3.07 -1.25 -3.06 117.51 117.04 1xi1 h ILE 170 Ca 0.24 -0.85 -0.32 0.00 1.55 0.00 0.00 64.86 65.48 1xi1 h ILE 170 Cb 0.34 1.78 0.03 0.00 -0.27 0.00 0.00 36.82 38.71 1xi1 h ILE 170 CO -0.37 0.04 -1.37 -0.61 -1.05 0.00 0.00 178.15 174.80 1xi1 h GLN 171 N 0.00 0.55 -0.62 0.16 4.15 0.37 -1.54 115.11 118.19 1xi1 h GLN 171 Ca -0.00 -0.85 0.06 0.00 0.77 0.00 0.00 58.65 58.63 1xi1 h GLN 171 Cb 0.78 0.30 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 1xi1 h GLN 171 CO 0.01 1.40 0.33 0.82 -1.93 0.00 0.00 178.83 179.45 1xi1 h ILE 172 N 0.19 0.95 -0.36 2.39 2.04 -0.74 0.21 117.51 122.20 1xi1 h ILE 172 Ca -0.22 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 1xi1 h ILE 172 Cb 2.05 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 1xi1 h ILE 172 CO 0.26 0.11 -0.42 0.40 0.00 0.00 0.00 178.15 178.50 1xi1 h ILE 173 N 0.61 1.27 -0.81 -0.67 1.08 -1.58 -2.70 117.51 114.71 1xi1 h ILE 173 Ca 0.28 -1.59 0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1xi1 h ILE 173 Cb 0.18 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 1xi1 h ILE 173 CO -0.18 0.53 0.53 0.00 -0.69 0.00 0.00 178.15 178.34 1xi1 h ALA 174 N 0.78 1.41 -0.18 1.87 0.00 -0.45 -0.39 119.26 122.31 1xi1 h ALA 174 Ca 0.05 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 1xi1 h ALA 174 Cb 1.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xi1 h ALA 174 CO 0.10 0.54 -0.62 0.93 0.00 0.00 0.00 179.25 180.20 1xi1 h GLU 175 N 1.10 0.63 -0.01 0.00 5.08 -0.54 -2.18 114.58 118.66 1xi1 h GLU 175 Ca 0.30 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xi1 h GLU 175 Cb -0.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xi1 h GLU 175 CO -0.06 1.06 -0.02 0.00 -1.00 0.00 0.00 179.01 178.99 1xi1 h ALA 176 N 0.84 0.02 -0.73 3.43 0.00 -1.14 -2.08 119.26 119.60 1xi1 h ALA 176 Ca -0.01 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.68 1xi1 h ALA 176 Cb 1.20 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1xi1 h ALA 176 CO 0.12 -0.21 0.44 -0.07 0.00 0.00 0.00 179.25 179.53 1xi1 h LEU 177 N -0.46 0.70 0.59 0.00 3.38 -1.12 0.11 115.31 118.51 1xi1 h LEU 177 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xi1 h LEU 177 Cb 0.53 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1xi1 h LEU 177 CO 0.00 0.47 -0.38 0.25 0.09 0.00 0.00 178.44 178.87 1xi1 h LEU 178 N 0.84 -0.98 -0.80 1.67 5.85 -1.39 0.35 115.31 120.85 1xi1 h LEU 178 Ca 0.31 0.06 0.16 0.00 0.84 0.00 0.00 57.88 59.25 1xi1 h LEU 178 Cb 0.09 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1xi1 h LEU 178 CO -0.14 -0.59 0.34 0.40 -0.34 0.00 0.00 178.44 178.11 1xi1 h ILE 179 N -0.93 0.62 -0.22 4.05 2.04 -1.05 0.24 117.51 122.27 1xi1 h ILE 179 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1xi1 h ILE 179 Cb 0.76 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1xi1 h ILE 179 CO 0.06 0.08 0.10 -0.61 0.00 0.00 0.00 178.15 177.79 1xi1 h GLN 180 N 0.46 0.32 -0.30 2.37 4.15 -0.21 -2.89 115.11 119.01 1xi1 h GLN 180 Ca 0.45 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.73 1xi1 h GLN 180 Cb 0.73 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1xi1 h GLN 180 CO -0.43 0.34 -0.23 0.74 -1.93 0.00 0.00 178.83 177.32 1xi1 h PHE 181 N 0.23 0.65 0.00 3.99 -1.00 0.11 -2.05 116.94 118.87 1xi1 h PHE 181 Ca 0.08 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1xi1 h PHE 181 Cb 0.12 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.53 1xi1 h PHE 181 CO -0.02 0.76 0.00 1.63 -1.61 0.00 0.00 178.31 179.07 1xi1 n LYS 182 N -4.12 0.11 -0.46 1.51 5.02 0.71 -0.70 118.16 120.23 1xi1 n LYS 182 Ca -0.00 0.50 0.11 0.00 -2.02 0.00 0.00 58.31 56.89 1xi1 n LYS 182 Cb 0.41 -1.77 0.33 0.00 -0.02 0.00 0.00 35.03 33.97 1xi1 n LYS 182 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xi1 n GLN 183 N -1.99 3.07 -0.92 1.97 1.13 -0.79 -4.92 117.38 114.92 1xi1 n GLN 183 Ca 0.01 -2.67 0.00 0.00 -1.94 0.00 0.00 57.00 52.39 1xi1 n GLN 183 Cb 0.10 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 28.76 1xi1 n GLN 183 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xi1 n GLY 184 N 1.45 0.75 3.09 1.08 0.00 0.13 -4.95 105.19 106.73 1xi1 n GLY 184 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1xi1 n GLY 184 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xi1 n LEU 185 N 0.00 6.12 -3.37 0.99 4.32 -1.06 -4.84 117.00 119.17 1xi1 n LEU 185 Ca 0.00 -4.54 -0.36 0.00 -0.02 0.00 0.00 56.01 51.09 1xi1 n LEU 185 Cb 0.00 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 1xi1 n LEU 185 CO 0.00 1.11 1.00 -0.90 -1.22 0.00 0.00 177.39 177.38 1xi1 n ASP 186 N 4.70 6.39 -4.72 -1.43 3.85 -1.26 -4.14 116.55 119.94 1xi1 n ASP 186 Ca 0.40 -3.70 -0.32 0.00 -0.71 0.00 0.00 54.79 50.46 1xi1 n ASP 186 Cb 0.39 -0.95 -0.08 0.00 -1.35 0.00 0.00 41.12 39.12 1xi1 n ASP 186 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1xi1 s ARG 187 N -4.04 2.15 0.08 0.11 1.81 -1.26 -5.05 118.95 112.76 1xi1 s ARG 187 Ca 0.43 -2.35 -0.02 0.00 -1.72 0.00 0.00 55.73 52.07 1xi1 s ARG 187 Cb 0.23 -1.52 -0.27 0.00 -0.45 0.00 0.00 34.95 32.94 1xi1 s ARG 187 CO -0.14 -0.31 1.16 1.98 -0.68 0.00 0.00 175.30 177.31 1xi1 h MET 188 N 1.44 0.23 -5.81 3.54 1.85 -1.95 -3.47 114.93 110.76 1xi1 h MET 188 Ca -0.44 -0.39 -0.50 0.00 -0.61 0.00 0.00 59.70 57.77 1xi1 h MET 188 Cb 1.30 0.14 -0.17 0.00 0.43 0.00 0.00 31.60 33.31 1xi1 h MET 188 CO 0.75 1.18 -0.77 0.95 -0.40 0.00 0.00 176.91 178.62 1xi1 s THR 189 N -2.66 1.77 0.31 -0.77 -4.23 -1.26 -4.27 115.64 104.52 1xi1 s THR 189 Ca -0.03 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 1xi1 s THR 189 Cb 0.08 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 72.08 1xi1 s THR 189 CO 0.87 -0.39 1.72 0.00 -0.54 0.00 0.00 174.62 176.28 1xi1 h ALA 190 N 3.09 1.15 -0.47 3.99 0.00 -1.63 -1.23 119.26 124.16 1xi1 h ALA 190 Ca -0.41 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1xi1 h ALA 190 Cb 1.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1xi1 h ALA 190 CO 0.54 0.59 0.27 0.78 0.00 0.00 0.00 179.25 181.43 1xi1 h GLY 191 N 1.28 0.69 2.00 0.00 0.00 -1.82 -1.85 103.07 103.37 1xi1 h GLY 191 Ca 0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1xi1 h GLY 191 CO 0.06 0.29 -0.34 1.76 0.00 0.00 0.00 176.54 178.32 1xi1 h SER 192 N 0.63 0.00 -0.24 0.19 0.02 -1.78 -2.61 113.55 109.76 1xi1 h SER 192 Ca 0.17 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1xi1 h SER 192 Cb 0.02 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1xi1 h SER 192 CO -0.03 0.34 -0.18 0.44 -1.14 0.00 0.00 176.83 176.26 1xi1 h ASP 193 N 0.00 0.68 -0.08 3.07 3.32 -0.50 -1.44 116.42 121.46 1xi1 h ASP 193 Ca -0.00 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 1xi1 h ASP 193 Cb 0.78 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 1xi1 h ASP 193 CO 0.04 0.86 -0.06 0.28 -1.72 0.00 0.00 179.24 178.64 1xi1 h SER 194 N 0.61 0.20 -0.82 6.45 0.02 -1.01 -1.66 113.55 117.34 1xi1 h SER 194 Ca 0.10 -0.46 0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1xi1 h SER 194 Cb 0.64 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1xi1 h SER 194 CO 0.05 0.61 0.54 0.25 -1.14 0.00 0.00 176.83 177.13 1xi1 h LEU 195 N -0.22 0.82 -0.04 5.07 5.85 -1.40 0.29 115.31 125.69 1xi1 h LEU 195 Ca 0.02 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xi1 h LEU 195 Cb 0.55 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1xi1 h LEU 195 CO 0.02 0.55 0.01 0.50 -0.34 0.00 0.00 178.44 179.17 1xi1 h LYS 196 N 0.95 0.06 -0.11 1.25 3.64 -1.15 0.37 116.57 121.57 1xi1 h LYS 196 Ca 0.34 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1xi1 h LYS 196 Cb 0.15 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1xi1 h LYS 196 CO -0.11 0.25 0.03 0.78 -2.27 0.00 0.00 179.45 178.13 1xi1 h GLY 197 N -0.15 0.16 0.32 5.01 0.00 -0.44 0.27 103.07 108.25 1xi1 h GLY 197 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1xi1 h GLY 197 CO -0.00 0.07 -0.08 -2.75 0.00 0.00 0.00 176.54 173.77 1xi1 h PHE 198 N 0.16 0.09 0.00 5.60 3.57 -0.09 -3.00 116.94 123.27 1xi1 h PHE 198 Ca 0.04 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1xi1 h PHE 198 Cb 0.06 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1xi1 h PHE 198 CO 0.00 0.81 -0.07 -0.22 -2.23 0.00 0.00 178.31 176.60 1xi1 h LYS 199 N -0.65 0.00 0.00 1.11 3.64 0.24 -0.26 116.57 120.64 1xi1 h LYS 199 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1xi1 h LYS 199 Cb 0.83 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1xi1 h LYS 199 CO 0.02 0.07 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.75 1xi1 h ASP 200 N 0.00 0.00 0.55 4.20 3.32 -0.46 -0.23 116.42 123.80 1xi1 h ASP 200 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1xi1 h ASP 200 Cb 0.12 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1xi1 h ASP 200 CO 0.01 0.08 -1.61 0.40 -1.72 0.00 0.00 179.24 176.40 1xi1 h ILE 201 N 0.00 0.98 -0.01 0.35 2.04 -0.91 -3.38 117.51 116.58 1xi1 h ILE 201 Ca -0.00 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 63.06 1xi1 h ILE 201 Cb 0.58 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 1xi1 h ILE 201 CO 0.01 0.59 -0.09 2.30 0.00 0.00 0.00 178.15 180.96 1xi1 n ILE 202 N -3.13 0.00 0.00 -0.67 -5.35 -1.05 -5.06 119.36 104.10 1xi1 n ILE 202 Ca -0.15 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 1xi1 n ILE 202 Cb 1.03 1.20 0.00 0.00 -1.74 0.00 0.00 39.64 40.14 1xi1 n ILE 202 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1xi1 n THR 203 N 0.33 0.00 0.57 7.28 -2.24 -0.10 -3.99 114.28 116.13 1xi1 n THR 203 Ca 0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 1xi1 n THR 203 Cb 0.27 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 68.96 1xi1 n THR 203 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xi1 n THR 204 N -1.22 0.66 -0.01 4.28 -1.04 -1.25 -1.48 114.28 114.23 1xi1 n THR 204 Ca 0.00 0.03 -0.17 0.00 -2.04 0.00 0.00 64.05 61.87 1xi1 n THR 204 Cb 0.00 -0.86 -0.14 0.00 -1.82 0.00 0.00 70.33 67.52 1xi1 n THR 204 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1xi1 h LYS 205 N 0.00 0.17 -0.03 -2.82 3.64 -1.93 -2.89 116.57 112.71 1xi1 h LYS 205 Ca 0.00 -0.28 -0.18 0.00 -1.27 0.00 0.00 60.65 58.92 1xi1 h LYS 205 Cb 0.49 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1xi1 h LYS 205 CO 0.00 1.12 -0.78 -0.22 -2.27 0.00 0.00 179.45 177.30 1xi1 h LYS 206 N -0.64 0.27 -0.10 1.90 3.64 -1.67 -3.05 116.57 116.92 1xi1 h LYS 206 Ca -0.07 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1xi1 h LYS 206 Cb 1.33 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 1xi1 h LYS 206 CO 0.08 0.92 -0.11 0.35 -2.27 0.00 0.00 179.45 178.43 1xi1 h PHE 207 N 0.17 -0.26 -0.68 1.91 3.57 -1.36 0.19 116.94 120.48 1xi1 h PHE 207 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1xi1 h PHE 207 Cb 1.36 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 40.20 1xi1 h PHE 207 CO 0.03 -0.16 0.43 0.87 -2.23 0.00 0.00 178.31 177.25 1xi1 h LYS 208 N -0.13 0.90 -0.15 1.11 1.57 -1.52 0.25 116.57 118.60 1xi1 h LYS 208 Ca 0.08 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.61 1xi1 h LYS 208 Cb 0.24 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1xi1 h LYS 208 CO -0.18 0.61 -0.61 0.87 -0.57 0.00 0.00 179.45 179.56 1xi1 h LYS 209 N 0.92 0.68 0.01 3.15 1.57 -1.28 -3.22 116.57 118.41 1xi1 h LYS 209 Ca 0.25 -0.53 -0.20 0.00 -1.87 0.00 0.00 60.65 58.29 1xi1 h LYS 209 Cb -0.08 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1xi1 h LYS 209 CO -0.05 1.15 -0.91 0.28 -0.57 0.00 0.00 179.45 179.35 1xi1 h VAL 210 N 0.37 1.55 -2.21 0.50 2.07 -0.30 -3.38 116.25 114.84 1xi1 h VAL 210 Ca -0.03 -2.81 -0.60 0.00 0.82 0.00 0.00 66.70 64.07 1xi1 h VAL 210 Cb 1.24 2.57 -0.42 0.00 -1.52 0.00 0.00 31.29 33.17 1xi1 h VAL 210 CO 0.13 0.81 -0.60 0.49 0.02 0.00 0.00 177.57 178.42 1xi1 n PHE 211 N -3.58 3.75 -0.81 1.57 0.99 0.86 -0.15 117.46 120.10 1xi1 n PHE 211 Ca -0.03 -4.13 -0.28 0.00 -0.00 0.00 0.00 57.45 53.01 1xi1 n PHE 211 Cb 0.84 -0.55 0.22 0.00 -1.00 0.00 0.00 39.48 38.99 1xi1 n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1xi1 s PRO 212 N -2.70 -0.34 -0.26 -1.08 0.04 -1.21 -4.76 135.00 124.69 1xi1 s PRO 212 Ca 0.42 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1xi1 s PRO 212 Cb 0.18 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 33.04 1xi1 s PRO 212 CO -0.04 -3.30 0.30 0.99 0.04 0.00 0.00 177.00 174.99 1xi1 s THR 213 N -2.67 5.24 0.65 1.26 2.01 -1.26 -4.74 115.64 116.12 1xi1 s THR 213 Ca 0.67 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.01 1xi1 s THR 213 Cb -0.22 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1xi1 s THR 213 CO 0.62 0.22 0.98 -0.76 -0.69 0.00 0.00 174.62 174.98 1xi1 s LEU 214 N 1.79 3.03 0.81 4.42 1.43 -1.26 -5.05 118.68 123.86 1xi1 s LEU 214 Ca 0.12 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1xi1 s LEU 214 Cb -0.16 -3.52 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1xi1 s LEU 214 CO 0.09 -1.28 1.09 -0.94 0.23 0.00 0.00 176.35 175.55 1xi1 s SER 215 N -4.38 4.17 0.21 2.29 1.04 -1.26 -4.79 113.70 110.99 1xi1 s SER 215 Ca 0.57 1.79 -0.09 0.00 0.48 0.00 0.00 55.95 58.69 1xi1 s SER 215 Cb -0.11 -2.46 0.22 0.00 0.10 0.00 0.00 66.02 63.78 1xi1 s SER 215 CO 0.47 -2.24 1.84 0.25 0.98 0.00 0.00 173.24 174.54 1xi1 h LEU 216 N -1.27 0.73 -0.47 2.42 5.85 -1.99 -0.18 115.31 120.39 1xi1 h LEU 216 Ca -0.45 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.11 1xi1 h LEU 216 Cb 1.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1xi1 h LEU 216 CO 0.51 0.49 -0.75 1.23 -0.34 0.00 0.00 178.44 179.58 1xi1 h GLY 217 N 0.87 0.14 1.43 3.75 0.00 -1.99 -2.57 103.07 104.69 1xi1 h GLY 217 Ca 0.30 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.27 1xi1 h GLY 217 CO -0.13 0.19 -0.44 -2.00 0.00 0.00 0.00 176.54 174.16 1xi1 h LEU 218 N 0.08 0.67 -0.55 3.11 5.85 -1.80 -2.28 115.31 120.40 1xi1 h LEU 218 Ca -0.02 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1xi1 h LEU 218 Cb 1.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1xi1 h LEU 218 CO 0.11 1.02 -0.22 -0.78 -0.34 0.00 0.00 178.44 178.23 1xi1 h ASP 219 N 0.50 0.96 -0.29 1.25 1.82 -1.00 -2.43 116.42 117.22 1xi1 h ASP 219 Ca 0.03 -0.36 -0.09 0.00 -0.39 0.00 0.00 57.03 56.22 1xi1 h ASP 219 Cb 0.97 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.70 1xi1 h ASP 219 CO 0.09 1.14 -0.12 0.50 -1.61 0.00 0.00 179.24 179.24 1xi1 h LYS 220 N 0.81 0.72 -0.31 0.28 3.64 -1.28 -0.62 116.57 119.81 1xi1 h LYS 220 Ca 0.11 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1xi1 h LYS 220 Cb 0.79 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1xi1 h LYS 220 CO 0.07 0.81 -0.39 0.93 -2.27 0.00 0.00 179.45 178.59 1xi1 h GLU 221 N 0.65 0.73 -0.51 1.90 5.08 -1.28 -2.63 114.58 118.52 1xi1 h GLU 221 Ca 0.11 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1xi1 h GLU 221 Cb 0.57 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1xi1 h GLU 221 CO 0.04 0.99 0.16 0.28 -1.00 0.00 0.00 179.01 179.48 1xi1 h VAL 222 N 0.60 1.23 0.00 3.13 2.07 -1.13 -2.67 116.25 119.48 1xi1 h VAL 222 Ca 0.05 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1xi1 h VAL 222 Cb 0.93 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1xi1 h VAL 222 CO 0.09 0.28 -0.02 0.03 0.02 0.00 0.00 177.57 177.96 1xi1 h ARG 223 N 0.69 0.00 -0.09 1.57 2.47 -0.97 -1.02 114.38 117.03 1xi1 h ARG 223 Ca 0.16 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1xi1 h ARG 223 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1xi1 h ARG 223 CO -0.01 0.02 -0.07 1.88 0.56 0.00 0.00 179.97 182.36 1xi1 h TYR 224 N 0.00 0.14 -0.14 3.04 0.99 -1.10 -2.34 116.97 117.57 1xi1 h TYR 224 Ca -0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1xi1 h TYR 224 Cb 0.07 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.75 1xi1 h TYR 224 CO 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 178.16 178.38 1xi1 n ALA 225 N -2.51 2.53 -2.52 3.88 0.00 -0.39 -4.65 120.51 116.86 1xi1 n ALA 225 Ca -0.01 -0.53 -0.39 0.00 0.00 0.00 0.00 53.44 52.50 1xi1 n ALA 225 Cb 0.20 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.50 1xi1 n ALA 225 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xi1 s TYR 226 N -1.83 3.67 0.19 0.00 5.04 -0.88 -4.66 117.35 118.88 1xi1 s TYR 226 Ca 0.34 1.31 -0.00 0.00 -2.44 0.00 0.00 57.07 56.28 1xi1 s TYR 226 Cb 0.19 -2.74 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1xi1 s TYR 226 CO 0.28 0.25 0.08 1.03 -1.34 0.00 0.00 175.55 175.86 1xi1 s ARG 227 N 0.13 1.17 0.00 4.97 0.52 -1.26 -5.06 118.95 119.42 1xi1 s ARG 227 Ca 0.35 -1.60 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 1xi1 s ARG 227 Cb -0.19 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.33 1xi1 s ARG 227 CO 0.19 -0.29 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1xi1 n GLY 228 N -0.27 1.83 3.77 -3.53 0.00 -1.26 -4.83 105.19 100.90 1xi1 n GLY 228 Ca -0.02 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 1xi1 n GLY 228 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xi1 s GLY 229 N -0.11 2.40 -0.46 -0.02 0.00 -1.26 -4.90 107.32 102.97 1xi1 s GLY 229 Ca 0.00 0.70 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 1xi1 s GLY 229 CO 0.00 1.05 0.93 -0.12 0.00 0.00 0.00 173.10 174.96 1xi1 s PHE 230 N -2.05 2.93 -0.28 1.90 5.36 -1.26 -4.80 117.98 119.78 1xi1 s PHE 230 Ca 0.70 0.40 0.01 0.00 -0.96 0.00 0.00 56.93 57.08 1xi1 s PHE 230 Cb -0.23 -3.96 0.08 0.00 -0.34 0.00 0.00 43.02 38.57 1xi1 s PHE 230 CO 0.35 -1.09 0.00 0.99 -1.46 0.00 0.00 175.22 174.01 1xi1 s THR 231 N 3.74 1.62 0.02 0.12 2.01 -1.26 0.59 115.64 122.49 1xi1 s THR 231 Ca 0.37 -1.57 0.01 0.00 0.31 0.00 0.00 61.69 60.82 1xi1 s THR 231 Cb -0.10 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1xi1 s THR 231 CO 0.26 -0.34 -0.05 0.86 -0.69 0.00 0.00 174.62 174.65 1xi1 s TRP 232 N 1.30 0.47 -0.11 4.92 -0.00 -0.02 -4.83 118.94 120.68 1xi1 s TRP 232 Ca 0.02 -0.30 0.04 0.00 -0.00 0.00 0.00 56.10 55.85 1xi1 s TRP 232 Cb -0.19 -0.30 0.00 0.00 -0.00 0.00 0.00 33.47 32.99 1xi1 s TRP 232 CO -0.10 -0.06 -0.23 -1.17 -0.00 0.00 0.00 176.95 175.39 1xi1 s LEU 233 N -0.87 2.07 0.02 5.86 2.96 -1.26 -0.70 118.68 126.75 1xi1 s LEU 233 Ca -0.05 -0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 53.00 1xi1 s LEU 233 Cb -0.06 -1.38 -0.08 0.00 0.50 0.00 0.00 46.19 45.17 1xi1 s LEU 233 CO -0.00 0.14 1.76 0.21 -1.32 0.00 0.00 176.35 177.14 1xi1 s ASN 234 N 0.44 6.57 0.41 3.68 3.84 0.20 -4.85 114.94 125.23 1xi1 s ASN 234 Ca -0.17 2.47 0.10 0.00 0.21 0.00 0.00 52.86 55.47 1xi1 s ASN 234 Cb -0.17 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.88 1xi1 s ASN 234 CO 0.07 -0.96 1.99 0.44 -2.79 0.00 0.00 177.10 175.85 1xi1 h ASP 235 N 9.47 0.49 -0.64 -4.21 3.32 -1.97 -2.42 116.42 120.46 1xi1 h ASP 235 Ca -0.44 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.75 1xi1 h ASP 235 Cb 1.21 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 40.55 1xi1 h ASP 235 CO 0.94 0.31 0.07 -0.09 -1.72 0.00 0.00 179.24 178.76 1xi1 h ARG 236 N 0.55 0.18 -0.53 3.56 2.43 -1.96 0.26 114.38 118.87 1xi1 h ARG 236 Ca 0.26 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1xi1 h ARG 236 Cb 0.31 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1xi1 h ARG 236 CO -0.08 0.12 0.00 1.19 -1.51 0.00 0.00 179.97 179.69 1xi1 n PHE 237 N -5.22 0.72 -1.85 2.20 3.01 -0.93 -4.90 117.46 110.49 1xi1 n PHE 237 Ca 0.10 -0.35 -0.42 0.00 1.01 0.00 0.00 57.45 57.79 1xi1 n PHE 237 Cb 0.37 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 1xi1 n PHE 237 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1xi1 s LYS 238 N -1.35 4.18 0.00 -1.08 2.20 0.08 -3.51 119.74 120.25 1xi1 s LYS 238 Ca 0.35 2.47 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 1xi1 s LYS 238 Cb 0.18 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1xi1 s LYS 238 CO 0.23 -0.65 0.00 0.39 -0.36 0.00 0.00 175.35 174.96 1xi1 n GLU 239 N 3.66 0.00 -2.66 4.03 1.02 0.19 -4.91 120.64 121.98 1xi1 n GLU 239 Ca 0.13 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.90 1xi1 n GLU 239 Cb 0.37 -2.36 -0.05 0.00 -0.02 0.00 0.00 31.44 29.38 1xi1 n GLU 239 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xi1 s LYS 240 N 0.00 4.41 0.21 3.49 1.02 -1.23 -4.78 119.74 122.86 1xi1 s LYS 240 Ca 0.00 1.44 -0.11 0.00 0.02 0.00 0.00 55.97 57.32 1xi1 s LYS 240 Cb 0.00 -2.72 -0.07 0.00 -0.52 0.00 0.00 37.83 34.52 1xi1 s LYS 240 CO 0.00 0.09 0.55 -1.83 -0.92 0.00 0.00 175.35 173.25 1xi1 s GLU 241 N -2.21 3.85 0.21 1.68 -1.05 -1.26 -4.34 118.70 115.58 1xi1 s GLU 241 Ca 0.53 0.33 0.02 0.00 -0.15 0.00 0.00 54.97 55.70 1xi1 s GLU 241 Cb -0.21 -2.71 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 1xi1 s GLU 241 CO 0.27 0.36 0.06 0.44 0.95 0.00 0.00 175.26 177.33 1xi1 n ILE 242 N 0.10 0.00 -3.78 1.83 -5.35 0.12 -4.98 119.36 107.30 1xi1 n ILE 242 Ca -0.01 -1.20 -0.13 0.00 -0.27 0.00 0.00 62.75 61.14 1xi1 n ILE 242 Cb 0.52 0.40 -0.11 0.00 -1.74 0.00 0.00 39.64 38.71 1xi1 n ILE 242 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1xi1 s GLY 243 N -2.29 -0.21 -0.05 3.28 0.00 -1.26 -1.46 107.32 105.33 1xi1 s GLY 243 Ca 0.09 0.78 -0.04 0.00 0.00 0.00 0.00 44.72 45.55 1xi1 s GLY 243 CO 0.06 0.66 0.08 1.18 0.00 0.00 0.00 173.10 175.08 1xi1 n GLU 244 N 2.85 -2.75 -3.98 2.90 -0.58 0.60 -4.70 120.64 114.98 1xi1 n GLU 244 Ca -0.13 2.25 -0.09 0.00 -0.42 0.00 0.00 57.16 58.77 1xi1 n GLU 244 Cb 0.58 -3.09 -0.04 0.00 -0.57 0.00 0.00 31.44 28.31 1xi1 n GLU 244 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xi1 s GLY 245 N -0.35 0.48 0.11 0.62 0.00 -0.62 -1.38 107.32 106.17 1xi1 s GLY 245 Ca -0.09 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.87 1xi1 s GLY 245 CO 0.24 -0.55 -0.13 1.06 0.00 0.00 0.00 173.10 173.72 1xi1 s MET 246 N -3.91 0.95 -0.07 2.90 1.00 0.11 -0.77 119.30 119.51 1xi1 s MET 246 Ca 0.21 -1.17 0.03 0.00 0.00 0.00 0.00 55.69 54.76 1xi1 s MET 246 Cb -0.02 -0.80 0.01 0.00 0.00 0.00 0.00 34.83 34.02 1xi1 s MET 246 CO 0.09 0.15 -0.16 0.08 0.00 0.00 0.00 175.02 175.19 1xi1 s VAL 247 N -2.06 1.40 -0.08 -6.03 1.01 -0.35 -0.93 120.40 113.37 1xi1 s VAL 247 Ca 0.06 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1xi1 s VAL 247 Cb -0.05 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1xi1 s VAL 247 CO 0.02 0.41 -0.24 -0.36 0.00 0.00 0.00 175.10 174.94 1xi1 s PHE 248 N 0.48 2.51 -0.06 5.22 0.40 -0.61 0.29 117.98 126.22 1xi1 s PHE 248 Ca -0.14 -0.83 0.05 0.00 -0.60 0.00 0.00 56.93 55.41 1xi1 s PHE 248 Cb -0.16 -1.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.71 1xi1 s PHE 248 CO 0.05 -0.28 -0.22 -0.51 0.70 0.00 0.00 175.22 174.96 1xi1 s ASP 249 N 0.04 2.68 0.22 1.36 1.11 0.23 -1.02 116.67 121.29 1xi1 s ASP 249 Ca -0.09 -0.45 -0.30 0.00 0.18 0.00 0.00 52.55 51.89 1xi1 s ASP 249 Cb -0.15 -0.80 -0.09 0.00 1.07 0.00 0.00 42.92 42.95 1xi1 s ASP 249 CO 0.06 0.20 1.32 -0.69 1.18 0.00 0.00 175.17 177.24 1xi1 s VAL 250 N -0.02 3.07 -0.40 -1.27 1.01 -0.08 -0.02 120.40 122.69 1xi1 s VAL 250 Ca -0.05 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 1xi1 s VAL 250 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1xi1 s VAL 250 CO 0.04 0.15 1.39 0.20 0.00 0.00 0.00 175.10 176.88 1xi1 s ASN 251 N 0.20 6.37 -0.88 3.32 0.01 -0.28 -4.13 114.94 119.57 1xi1 s ASN 251 Ca 0.56 0.85 -0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1xi1 s ASN 251 Cb -0.38 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.74 1xi1 s ASN 251 CO 0.41 -1.40 0.71 -1.20 -1.51 0.00 0.00 177.10 174.10 1xi1 n SER 252 N 8.69 -6.28 -0.17 -1.22 7.64 -1.26 -0.86 113.62 120.17 1xi1 n SER 252 Ca 0.16 -0.60 -0.07 0.00 1.01 0.00 0.00 58.87 59.37 1xi1 n SER 252 Cb 0.48 -3.76 -0.06 0.00 -1.01 0.00 0.00 64.21 59.86 1xi1 n SER 252 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xi1 h LEU 253 N -0.41 -1.20 0.12 -3.43 5.85 -1.97 -1.03 115.31 113.24 1xi1 h LEU 253 Ca -0.38 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1xi1 h LEU 253 Cb 1.22 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.77 1xi1 h LEU 253 CO 0.37 -0.19 -0.06 1.88 -0.34 0.00 0.00 178.44 180.11 1xi1 h TYR 254 N -0.12 -0.14 -0.38 1.25 0.99 -1.94 -2.38 116.97 114.25 1xi1 h TYR 254 Ca 0.07 -0.00 0.11 0.00 2.00 0.00 0.00 58.73 60.90 1xi1 h TYR 254 Cb 0.30 0.05 -0.02 0.00 1.00 0.00 0.00 36.73 38.06 1xi1 h TYR 254 CO -0.83 0.16 0.27 -1.35 -0.00 0.00 0.00 178.16 176.41 1xi1 h PRO 255 N -0.45 0.00 -0.09 4.88 0.11 -1.83 -0.79 132.00 133.83 1xi1 h PRO 255 Ca -0.02 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1xi1 h PRO 255 Cb 0.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 1xi1 h PRO 255 CO 0.03 0.00 -0.71 0.00 -0.21 0.00 0.00 178.00 177.10 1xi1 h ALA 256 N 1.81 0.61 -0.20 -0.75 0.00 -0.95 -1.08 119.26 118.70 1xi1 h ALA 256 Ca 0.18 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 1xi1 h ALA 256 Cb 0.72 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xi1 h ALA 256 CO -0.00 0.75 -0.60 1.96 0.00 0.00 0.00 179.25 181.36 1xi1 h GLN 257 N 0.29 0.76 -0.17 0.00 1.08 -0.71 -3.03 115.11 113.32 1xi1 h GLN 257 Ca -0.03 -0.55 -0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1xi1 h GLN 257 Cb 1.28 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1xi1 h GLN 257 CO 0.12 1.17 0.09 0.52 -0.95 0.00 0.00 178.83 179.79 1xi1 h MET 258 N 0.48 0.23 -0.08 1.46 2.86 -1.16 0.29 114.93 119.01 1xi1 h MET 258 Ca -0.02 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 1xi1 h MET 258 Cb 1.22 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 1xi1 h MET 258 CO 0.13 0.18 -0.69 -0.92 1.06 0.00 0.00 176.91 176.66 1xi1 h TYR 259 N 0.24 0.50 0.00 -0.22 5.03 -1.07 -3.38 116.97 118.06 1xi1 h TYR 259 Ca 0.06 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 61.16 1xi1 h TYR 259 Cb 0.01 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.21 1xi1 h TYR 259 CO 0.00 0.95 0.00 -1.13 -1.32 0.00 0.00 178.16 176.66 1xi1 n SER 260 N -3.85 0.00 -4.84 -2.11 3.41 -1.09 -4.68 113.62 100.47 1xi1 n SER 260 Ca -0.04 -0.93 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 1xi1 n SER 260 Cb 0.68 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 1xi1 n SER 260 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xi1 s ARG 261 N 0.00 3.93 -0.35 4.33 1.81 0.07 -4.90 118.95 123.84 1xi1 s ARG 261 Ca 0.00 0.99 -0.29 0.00 -1.72 0.00 0.00 55.73 54.71 1xi1 s ARG 261 Cb 0.00 -2.13 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 1xi1 s ARG 261 CO 0.00 -0.29 1.42 -1.17 -0.68 0.00 0.00 175.30 174.58 1xi1 s LEU 262 N -4.01 3.71 0.10 2.53 2.96 -1.26 -4.33 118.68 118.37 1xi1 s LEU 262 Ca 0.60 1.05 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1xi1 s LEU 262 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1xi1 s LEU 262 CO 0.30 -1.31 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.10 1xi1 s LEU 263 N 5.14 2.80 0.47 -0.68 1.43 -0.43 -4.90 118.68 122.51 1xi1 s LEU 263 Ca 0.62 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 53.03 1xi1 s LEU 263 Cb -0.16 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1xi1 s LEU 263 CO 0.29 0.19 0.99 -2.16 0.23 0.00 0.00 176.35 175.89 1xi1 s PRO 264 N -2.07 3.99 0.06 1.29 0.04 -1.26 -1.07 135.00 135.98 1xi1 s PRO 264 Ca 0.19 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 1xi1 s PRO 264 Cb -0.11 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.35 1xi1 s PRO 264 CO 0.11 -0.24 0.50 1.52 0.04 0.00 0.00 177.00 178.92 1xi1 s TYR 265 N -2.18 -0.39 0.00 0.56 -0.85 -0.85 -4.68 117.35 108.97 1xi1 s TYR 265 Ca 0.64 0.39 0.00 0.00 -0.52 0.00 0.00 57.07 57.58 1xi1 s TYR 265 Cb -0.12 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1xi1 s TYR 265 CO 0.19 -0.65 0.00 0.41 -1.52 0.00 0.00 175.55 173.98 1xi1 n GLY 266 N 0.34 -2.20 3.71 5.49 0.00 0.79 -3.62 105.19 109.70 1xi1 n GLY 266 Ca -0.18 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1xi1 n GLY 266 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xi1 s GLU 267 N -0.24 4.52 0.42 1.61 2.56 -1.26 -4.76 118.70 121.55 1xi1 s GLU 267 Ca 0.00 1.46 -0.22 0.00 0.00 0.00 0.00 54.97 56.20 1xi1 s GLU 267 Cb 0.00 -3.46 -0.10 0.00 2.00 0.00 0.00 34.13 32.57 1xi1 s GLU 267 CO 0.00 -0.12 0.99 -2.14 -0.56 0.00 0.00 175.26 173.43 1xi1 s PRO 268 N 1.20 4.16 -0.16 4.30 0.02 -1.26 -4.74 135.00 138.52 1xi1 s PRO 268 Ca 0.52 1.28 -0.04 0.00 0.02 0.00 0.00 61.00 62.78 1xi1 s PRO 268 Cb -0.21 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 1xi1 s PRO 268 CO 0.26 -0.11 -0.02 0.42 -0.33 0.00 0.00 177.00 177.23 1xi1 s ILE 269 N -1.95 4.06 0.16 2.83 1.01 -0.77 -4.91 121.20 121.62 1xi1 s ILE 269 Ca 0.61 -0.30 -0.26 0.00 0.00 0.00 0.00 60.65 60.70 1xi1 s ILE 269 Cb -0.15 -2.79 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 1xi1 s ILE 269 CO 0.19 0.49 0.82 -0.69 0.00 0.00 0.00 174.94 175.75 1xi1 s VAL 270 N 0.33 4.37 0.16 2.92 1.01 -1.26 -0.92 120.40 127.01 1xi1 s VAL 270 Ca -0.03 1.79 0.03 0.00 0.00 0.00 0.00 61.98 63.77 1xi1 s VAL 270 Cb -0.14 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1xi1 s VAL 270 CO 0.02 0.48 -0.05 0.72 0.00 0.00 0.00 175.10 176.28 1xi1 s PHE 271 N -0.93 1.21 0.07 5.22 -0.12 -1.00 -4.97 117.98 117.46 1xi1 s PHE 271 Ca 0.38 -0.90 0.05 0.00 -0.05 0.00 0.00 56.93 56.41 1xi1 s PHE 271 Cb -0.23 -0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 1xi1 s PHE 271 CO 0.27 -0.08 -0.02 -1.21 -0.05 0.00 0.00 175.22 174.13 1xi1 s GLU 272 N -3.84 2.51 3.97 1.99 2.02 -1.26 -2.22 118.70 121.87 1xi1 s GLU 272 Ca 0.20 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1xi1 s GLU 272 Cb 0.05 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1xi1 s GLU 272 CO 0.02 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1xi1 n GLY 273 N 0.77 0.64 3.77 -1.39 0.00 0.15 -4.79 105.19 104.33 1xi1 n GLY 273 Ca -0.12 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1xi1 n GLY 273 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xi1 s LYS 274 N 0.00 4.32 0.34 1.61 2.20 -1.26 -3.47 119.74 123.48 1xi1 s LYS 274 Ca 0.00 0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 56.11 1xi1 s LYS 274 Cb 0.00 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.88 1xi1 s LYS 274 CO 0.00 0.43 1.37 0.98 -0.36 0.00 0.00 175.35 177.77 1xi1 n TYR 275 N 2.47 2.49 -4.90 4.03 9.36 -1.26 -5.02 117.16 124.32 1xi1 n TYR 275 Ca -0.07 0.49 -0.31 0.00 3.32 0.00 0.00 57.90 61.33 1xi1 n TYR 275 Cb 0.51 -2.46 -0.14 0.00 -0.63 0.00 0.00 39.34 36.62 1xi1 n TYR 275 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1xi1 s VAL 276 N -0.92 2.60 0.09 2.97 1.01 -1.26 -5.07 120.40 119.82 1xi1 s VAL 276 Ca 0.57 -1.08 -0.34 0.00 0.00 0.00 0.00 61.98 61.13 1xi1 s VAL 276 Cb -0.55 -2.02 -0.13 0.00 0.00 0.00 0.00 36.38 33.68 1xi1 s VAL 276 CO 0.60 0.46 1.67 1.87 0.00 0.00 0.00 175.10 179.71 1xi1 n TRP 277 N 1.98 2.30 -3.69 5.22 -0.00 -1.26 -4.95 117.44 117.04 1xi1 n TRP 277 Ca -0.16 0.17 -0.30 0.00 -0.00 0.00 0.00 57.50 57.21 1xi1 n TRP 277 Cb 0.52 -2.59 -0.15 0.00 -0.00 0.00 0.00 31.31 29.09 1xi1 n TRP 277 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1xi1 s ASP 278 N 1.88 3.92 0.41 5.87 -1.08 -1.26 -5.01 116.67 121.40 1xi1 s ASP 278 Ca 0.83 -1.60 0.25 0.00 -0.52 0.00 0.00 52.55 51.51 1xi1 s ASP 278 Cb -0.68 -0.76 1.31 0.00 -1.46 0.00 0.00 42.92 41.33 1xi1 s ASP 278 CO 0.42 -0.42 1.65 -0.08 0.52 0.00 0.00 175.17 177.26 1xi1 h GLU 279 N 8.11 0.17 0.00 4.34 4.81 -1.97 0.54 114.58 130.58 1xi1 h GLU 279 Ca -0.14 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1xi1 h GLU 279 Cb 1.01 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1xi1 h GLU 279 CO 0.46 0.11 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.97 1xi1 h ASP 280 N 0.17 0.00 -2.14 1.04 3.32 -1.94 -3.35 116.42 113.52 1xi1 h ASP 280 Ca 0.77 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.23 1xi1 h ASP 280 Cb 2.21 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 41.35 1xi1 h ASP 280 CO -0.46 0.18 -0.79 -1.22 -1.72 0.00 0.00 179.24 175.23 1xi1 n TYR 281 N -3.04 2.06 -0.15 4.55 4.02 0.18 -4.19 117.16 120.60 1xi1 n TYR 281 Ca 0.02 -3.92 0.03 0.00 -0.01 0.00 0.00 57.90 54.01 1xi1 n TYR 281 Cb 0.61 -0.47 0.32 0.00 -0.02 0.00 0.00 39.34 39.78 1xi1 n TYR 281 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1xi1 h PRO 282 N 4.15 0.81 -6.24 -0.72 0.11 -1.26 -3.39 132.00 125.47 1xi1 h PRO 282 Ca 0.15 -0.05 -0.47 0.00 0.11 0.00 0.00 66.00 65.74 1xi1 h PRO 282 Cb 0.75 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1xi1 h PRO 282 CO 0.69 0.54 -0.39 -0.51 -0.21 0.00 0.00 178.00 178.11 1xi1 s LEU 283 N -9.72 4.27 0.08 2.35 1.43 -1.21 -4.93 118.68 110.95 1xi1 s LEU 283 Ca -0.10 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 1xi1 s LEU 283 Cb 0.18 -2.95 0.08 0.00 0.03 0.00 0.00 46.19 43.53 1xi1 s LEU 283 CO 0.76 -0.10 0.80 -1.38 0.23 0.00 0.00 176.35 176.67 1xi1 s HIS 284 N -2.02 -0.37 -0.15 0.29 -3.43 -1.26 -1.21 115.29 107.15 1xi1 s HIS 284 Ca 0.35 0.17 0.01 0.00 -0.80 0.00 0.00 55.06 54.79 1xi1 s HIS 284 Cb -0.09 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 1xi1 s HIS 284 CO 0.30 -0.72 -0.19 0.42 -2.00 0.00 0.00 174.74 172.56 1xi1 s ILE 285 N -3.38 2.35 -0.12 -5.38 1.01 -0.17 -0.72 121.20 114.79 1xi1 s ILE 285 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1xi1 s ILE 285 Cb -0.01 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1xi1 s ILE 285 CO -0.08 0.53 -0.12 -1.58 0.00 0.00 0.00 174.94 173.69 1xi1 s GLN 286 N 0.84 3.28 -0.40 2.79 2.00 0.11 -0.65 119.66 127.64 1xi1 s GLN 286 Ca -0.06 -0.67 -0.20 0.00 -2.00 0.00 0.00 55.36 52.44 1xi1 s GLN 286 Cb -0.15 -2.63 0.01 0.00 0.80 0.00 0.00 33.01 31.04 1xi1 s GLN 286 CO -0.02 0.28 0.60 -1.58 -0.50 0.00 0.00 175.29 174.08 1xi1 s HIS 287 N 0.18 3.11 0.30 1.67 5.65 0.11 -0.78 115.29 125.53 1xi1 s HIS 287 Ca -0.07 0.07 0.08 0.00 0.25 0.00 0.00 55.06 55.39 1xi1 s HIS 287 Cb -0.15 -3.19 -0.06 0.00 -1.18 0.00 0.00 32.58 28.00 1xi1 s HIS 287 CO 0.05 -0.74 -0.08 0.96 -0.65 0.00 0.00 174.74 174.28 1xi1 s ILE 288 N 2.67 1.90 -0.06 0.89 -4.36 0.92 -1.35 121.20 121.82 1xi1 s ILE 288 Ca 0.22 -2.17 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 1xi1 s ILE 288 Cb -0.15 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.06 1xi1 s ILE 288 CO 0.17 -0.27 -0.11 -0.13 0.24 0.00 0.00 174.94 174.84 1xi1 s ARG 289 N -3.67 1.53 0.21 0.37 0.52 -0.04 -1.30 118.95 116.56 1xi1 s ARG 289 Ca 0.31 -0.35 -0.21 0.00 -0.52 0.00 0.00 55.73 54.96 1xi1 s ARG 289 Cb 0.03 -1.30 0.07 0.00 0.52 0.00 0.00 34.95 34.27 1xi1 s ARG 289 CO 0.14 -0.00 1.02 0.00 0.02 0.00 0.00 175.30 176.47 1xi1 s GLU 291 N -2.08 1.34 0.10 0.00 2.02 -0.80 0.25 118.70 119.53 1xi1 s GLU 291 Ca 0.22 -1.37 -0.14 0.00 0.02 0.00 0.00 54.97 53.70 1xi1 s GLU 291 Cb -0.03 -1.63 0.03 0.00 0.10 0.00 0.00 34.13 32.59 1xi1 s GLU 291 CO 0.06 0.36 0.35 -0.59 0.02 0.00 0.00 175.26 175.46 1xi1 s PHE 292 N -1.48 -0.12 -0.07 1.61 -0.12 -1.26 0.01 117.98 116.54 1xi1 s PHE 292 Ca 0.14 -0.18 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 1xi1 s PHE 292 Cb -0.08 0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.52 1xi1 s PHE 292 CO 0.07 -0.64 0.13 -1.21 -0.05 0.00 0.00 175.22 173.52 1xi1 s GLU 293 N -3.58 0.00 0.14 1.99 0.41 -0.74 -1.91 118.70 115.00 1xi1 s GLU 293 Ca 0.02 0.49 -0.35 0.00 -0.41 0.00 0.00 54.97 54.72 1xi1 s GLU 293 Cb 0.02 -0.39 -0.15 0.00 -1.78 0.00 0.00 34.13 31.83 1xi1 s GLU 293 CO -0.10 -0.33 1.49 -0.11 -0.49 0.00 0.00 175.26 175.72 1xi1 n LEU 294 N 5.32 2.58 -4.78 1.80 7.94 0.22 -1.31 117.00 128.78 1xi1 n LEU 294 Ca -0.04 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.62 1xi1 n LEU 294 Cb 0.50 -1.34 0.01 0.00 0.53 0.00 0.00 43.42 43.11 1xi1 n LEU 294 CO 0.05 -0.56 0.75 -0.54 -1.11 0.00 0.00 177.39 175.98 1xi1 s LYS 295 N 0.72 3.32 0.06 1.96 1.02 0.26 -4.83 119.74 122.24 1xi1 s LYS 295 Ca 0.80 1.44 -0.31 0.00 0.02 0.00 0.00 55.97 57.92 1xi1 s LYS 295 Cb -0.77 -2.02 -0.07 0.00 -0.52 0.00 0.00 37.83 34.45 1xi1 s LYS 295 CO 0.41 -0.84 1.51 -1.21 -0.92 0.00 0.00 175.35 174.30 1xi1 s GLU 296 N -3.59 4.25 0.00 1.68 2.02 -1.26 -2.56 118.70 119.24 1xi1 s GLU 296 Ca 0.69 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.84 1xi1 s GLU 296 Cb -0.20 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1xi1 s GLU 296 CO 0.30 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1xi1 n GLY 297 N 3.77 0.65 3.24 -1.39 0.00 -1.26 -5.07 105.19 105.12 1xi1 n GLY 297 Ca 0.14 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 1xi1 n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 298 N -2.00 1.53 0.37 1.61 1.51 -1.06 -5.03 117.35 114.29 1xi1 s TYR 298 Ca 0.00 -0.44 -0.23 0.00 -1.01 0.00 0.00 57.07 55.39 1xi1 s TYR 298 Cb 0.00 -0.85 -0.10 0.00 -0.11 0.00 0.00 41.96 40.90 1xi1 s TYR 298 CO 0.00 0.14 0.93 0.42 -1.11 0.00 0.00 175.55 175.93 1xi1 s ILE 299 N -1.24 4.33 0.58 2.71 1.01 -1.26 -4.84 121.20 122.49 1xi1 s ILE 299 Ca 0.03 1.60 -0.17 0.00 0.00 0.00 0.00 60.65 62.11 1xi1 s ILE 299 Cb -0.10 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1xi1 s ILE 299 CO 0.03 -0.10 1.10 -2.84 0.00 0.00 0.00 174.94 173.13 1xi1 s PRO 300 N -2.66 3.24 0.00 2.79 0.02 -1.26 -4.92 135.00 132.20 1xi1 s PRO 300 Ca 0.56 1.43 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1xi1 s PRO 300 Cb -0.13 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1xi1 s PRO 300 CO 0.18 -0.91 0.00 0.25 -0.33 0.00 0.00 177.00 176.19 1xi1 n THR 301 N -1.75 0.00 -2.40 0.99 -2.24 -1.26 -5.02 114.28 102.60 1xi1 n THR 301 Ca 0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 1xi1 n THR 301 Cb 0.52 -0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1xi1 n THR 301 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xi1 s ILE 302 N -1.11 3.94 0.33 2.28 1.01 -1.26 -4.99 121.20 121.39 1xi1 s ILE 302 Ca 0.00 0.94 0.09 0.00 0.00 0.00 0.00 60.65 61.67 1xi1 s ILE 302 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 1xi1 s ILE 302 CO 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 174.94 174.15 1xi1 s GLN 303 N 4.94 2.25 -0.25 2.79 -2.07 -1.26 -1.42 119.66 124.64 1xi1 s GLN 303 Ca 0.58 -1.60 -0.03 0.00 -1.82 0.00 0.00 55.36 52.48 1xi1 s GLN 303 Cb -0.12 -2.08 0.08 0.00 -1.09 0.00 0.00 33.01 29.80 1xi1 s GLN 303 CO 0.32 0.16 0.10 0.42 -1.32 0.00 0.00 175.29 174.96 1xi1 s ILE 304 N -2.44 0.25 0.00 3.63 1.01 -0.14 -4.96 121.20 118.54 1xi1 s ILE 304 Ca 0.36 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.26 1xi1 s ILE 304 Cb -0.02 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1xi1 s ILE 304 CO 0.21 -0.53 0.00 1.17 0.00 0.00 0.00 174.94 175.79 1xi1 n LYS 305 N 5.13 1.84 -0.05 2.79 4.81 -1.26 -0.92 118.16 130.49 1xi1 n LYS 305 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.36 1xi1 n LYS 305 Cb 0.44 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.49 1xi1 n LYS 305 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xi1 n ARG 306 N 0.00 0.00 -4.14 1.64 1.74 -1.26 -4.79 116.66 109.85 1xi1 n ARG 306 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1xi1 n ARG 306 Cb 0.00 -0.06 -0.05 0.00 -1.02 0.00 0.00 32.46 31.33 1xi1 n ARG 306 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xi1 s SER 307 N 0.23 4.46 0.00 0.55 0.15 -1.26 -4.99 113.70 112.84 1xi1 s SER 307 Ca 0.05 -1.24 -0.00 0.00 0.70 0.00 0.00 55.95 55.46 1xi1 s SER 307 Cb -0.06 0.03 -0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1xi1 s SER 307 CO 0.02 -0.81 0.01 0.54 1.20 0.00 0.00 173.24 174.20 1xi1 n ARG 308 N -1.44 -0.00 0.02 5.44 5.12 -1.26 -3.90 116.66 120.63 1xi1 n ARG 308 Ca -0.05 0.01 -0.02 0.00 -1.93 0.00 0.00 57.85 55.86 1xi1 n ARG 308 Cb 0.65 -0.01 -0.01 0.00 -1.16 0.00 0.00 32.46 31.93 1xi1 n ARG 308 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1xi1 n PHE 309 N -3.76 0.00 -5.23 -1.55 3.01 -1.26 -5.06 117.46 103.62 1xi1 n PHE 309 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1xi1 n PHE 309 Cb 0.00 -0.08 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 1xi1 n PHE 309 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1xi1 s TYR 310 N -2.09 2.49 0.00 1.38 1.51 -1.25 -5.13 117.35 114.26 1xi1 s TYR 310 Ca -0.04 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1xi1 s TYR 310 Cb 0.01 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1xi1 s TYR 310 CO 0.05 -0.27 0.00 0.36 -1.11 0.00 0.00 175.55 174.59 1xi1 n LYS 311 N 3.12 1.88 0.00 -0.62 2.85 -1.26 -4.30 118.16 119.83 1xi1 n LYS 311 Ca -0.18 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1xi1 n LYS 311 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1xi1 n LYS 311 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xi1 n GLY 312 N 4.97 0.54 0.00 2.58 0.00 -1.26 -4.93 105.19 107.08 1xi1 n GLY 312 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xi1 n GLY 312 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xi1 n ASN 313 N 0.00 0.00 -4.38 1.61 5.03 -1.26 -4.92 115.26 111.33 1xi1 n ASN 313 Ca 0.00 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.09 1xi1 n ASN 313 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1xi1 n ASN 313 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xi1 s GLU 314 N 0.00 3.52 -0.32 3.52 2.02 -0.10 -4.97 118.70 122.37 1xi1 s GLU 314 Ca 0.00 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.33 1xi1 s GLU 314 Cb 0.00 -3.15 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 1xi1 s GLU 314 CO 0.00 -0.17 0.18 0.71 0.02 0.00 0.00 175.26 176.00 1xi1 s TYR 315 N 1.49 3.19 0.41 1.61 1.51 -1.26 -0.97 117.35 123.33 1xi1 s TYR 315 Ca 0.06 -0.46 -0.25 0.00 -1.01 0.00 0.00 57.07 55.40 1xi1 s TYR 315 Cb -0.15 -2.39 -0.08 0.00 -0.11 0.00 0.00 41.96 39.23 1xi1 s TYR 315 CO 0.00 -0.42 1.23 -0.51 -1.11 0.00 0.00 175.55 174.73 1xi1 s LEU 316 N 1.65 4.17 0.00 -1.29 1.43 -0.51 -4.93 118.68 119.20 1xi1 s LEU 316 Ca 0.05 2.47 0.06 0.00 -1.03 0.00 0.00 54.13 55.69 1xi1 s LEU 316 Cb -0.17 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1xi1 s LEU 316 CO 0.07 -0.80 0.38 0.29 0.23 0.00 0.00 176.35 176.52 1xi1 n LYS 317 N 0.00 3.70 -3.56 1.70 5.02 -1.26 -4.56 118.16 119.19 1xi1 n LYS 317 Ca 0.05 -0.23 -0.10 0.00 -2.02 0.00 0.00 58.31 56.00 1xi1 n LYS 317 Cb 0.45 -0.88 -0.05 0.00 -0.02 0.00 0.00 35.03 34.54 1xi1 n LYS 317 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1xi1 s SER 318 N -1.32 -0.38 0.34 4.39 0.15 -1.26 0.73 113.70 116.35 1xi1 s SER 318 Ca 0.04 0.35 0.18 0.00 0.70 0.00 0.00 55.95 57.21 1xi1 s SER 318 Cb 0.05 0.32 0.16 0.00 -1.71 0.00 0.00 66.02 64.85 1xi1 s SER 318 CO 0.21 -0.40 1.50 0.77 1.20 0.00 0.00 173.24 176.52 1xi1 h SER 319 N 2.48 0.00 -5.83 5.45 4.64 -1.67 -3.48 113.55 115.14 1xi1 h SER 319 Ca -0.19 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 1xi1 h SER 319 Cb 1.17 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1xi1 h SER 319 CO 0.31 0.32 -0.43 0.61 -0.87 0.00 0.00 176.83 176.78 1xi1 n GLY 320 N 1.18 -1.24 2.47 -0.77 0.00 -1.26 -3.35 105.19 102.22 1xi1 n GLY 320 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1xi1 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi1 n GLY 321 N -1.70 1.94 3.86 -0.02 0.00 -1.26 -5.00 105.19 103.01 1xi1 n GLY 321 Ca -0.10 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1xi1 n GLY 321 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xi1 s GLU 322 N 0.00 3.73 -0.08 1.61 2.02 -1.21 -5.05 118.70 119.71 1xi1 s GLU 322 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.87 1xi1 s GLU 322 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1xi1 s GLU 322 CO 0.00 0.68 1.23 0.42 0.02 0.00 0.00 175.26 177.61 1xi1 s ILE 323 N -1.16 4.24 0.48 -1.63 1.01 -1.26 -4.74 121.20 118.14 1xi1 s ILE 323 Ca 0.24 1.55 -0.07 0.00 0.00 0.00 0.00 60.65 62.38 1xi1 s ILE 323 Cb -0.15 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1xi1 s ILE 323 CO 0.13 -0.04 0.80 0.00 0.00 0.00 0.00 174.94 175.83 1xi1 s ALA 324 N 2.58 3.37 -0.16 9.38 0.00 0.14 -4.87 121.76 132.19 1xi1 s ALA 324 Ca 0.56 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1xi1 s ALA 324 Cb -0.24 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1xi1 s ALA 324 CO 0.20 -0.31 -0.14 0.34 0.00 0.00 0.00 175.76 175.86 1xi1 s ASP 325 N -3.92 2.90 0.03 0.00 -1.08 -1.26 -2.00 116.67 111.34 1xi1 s ASP 325 Ca 0.49 -0.60 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 1xi1 s ASP 325 Cb -0.10 -1.22 -0.02 0.00 -1.46 0.00 0.00 42.92 40.12 1xi1 s ASP 325 CO 0.43 -0.07 -0.06 -0.76 0.52 0.00 0.00 175.17 175.23 1xi1 s LEU 326 N 1.45 2.23 -0.20 -1.34 1.43 -0.42 -5.02 118.68 116.80 1xi1 s LEU 326 Ca 0.03 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1xi1 s LEU 326 Cb -0.14 -0.06 0.02 0.00 0.03 0.00 0.00 46.19 46.04 1xi1 s LEU 326 CO -0.10 -0.22 -0.15 0.26 0.23 0.00 0.00 176.35 176.37 1xi1 s TRP 327 N -1.28 2.89 0.00 0.29 0.52 -1.26 -0.05 118.94 120.05 1xi1 s TRP 327 Ca -0.11 -1.61 0.04 0.00 0.02 0.00 0.00 56.10 54.44 1xi1 s TRP 327 Cb -0.09 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 1xi1 s TRP 327 CO -0.00 -0.77 -0.13 -0.51 0.02 0.00 0.00 176.95 175.56 1xi1 s LEU 328 N 1.30 2.07 0.72 2.99 1.43 0.04 -4.02 118.68 123.21 1xi1 s LEU 328 Ca 0.03 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1xi1 s LEU 328 Cb -0.14 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.48 1xi1 s LEU 328 CO -0.10 0.12 1.09 -0.94 0.23 0.00 0.00 176.35 176.75 1xi1 s SER 329 N -0.55 4.84 0.59 2.29 1.04 -1.26 0.08 113.70 120.73 1xi1 s SER 329 Ca 0.04 1.84 0.32 0.00 0.48 0.00 0.00 55.95 58.63 1xi1 s SER 329 Cb -0.06 -2.53 1.87 0.00 0.10 0.00 0.00 66.02 65.41 1xi1 s SER 329 CO 0.00 -1.81 2.24 -0.55 0.98 0.00 0.00 173.24 174.10 1xi1 h ASN 330 N -0.71 0.00 -0.07 7.02 -1.07 -1.32 -1.20 115.58 118.23 1xi1 h ASN 330 Ca -0.44 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.89 1xi1 h ASN 330 Cb 1.23 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.48 1xi1 h ASN 330 CO 0.53 0.02 -0.11 0.58 0.07 0.00 0.00 177.43 178.52 1xi1 h VAL 331 N 0.00 1.40 -0.53 6.14 2.07 -1.90 -2.72 116.25 120.72 1xi1 h VAL 331 Ca -0.00 -1.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.04 1xi1 h VAL 331 Cb 0.07 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1xi1 h VAL 331 CO 0.00 0.38 -0.07 0.44 0.02 0.00 0.00 177.57 178.35 1xi1 h ASP 332 N -0.28 0.98 -0.57 0.57 3.32 -1.76 -3.13 116.42 115.55 1xi1 h ASP 332 Ca 0.01 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1xi1 h ASP 332 Cb 0.68 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1xi1 h ASP 332 CO 0.03 1.08 0.29 0.25 -1.72 0.00 0.00 179.24 179.17 1xi1 h LEU 333 N 0.85 0.76 -1.02 1.55 5.85 -1.28 -1.41 115.31 120.61 1xi1 h LEU 333 Ca 0.14 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1xi1 h LEU 333 Cb 0.62 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1xi1 h LEU 333 CO 0.04 0.65 -0.47 -0.08 -0.34 0.00 0.00 178.44 178.24 1xi1 h GLU 334 N 0.85 0.00 0.12 1.25 4.81 -1.43 -2.09 114.58 118.09 1xi1 h GLU 334 Ca 0.21 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.15 1xi1 h GLU 334 Cb 0.08 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.49 1xi1 h GLU 334 CO -0.03 0.47 -1.23 -0.07 -0.73 0.00 0.00 179.01 177.42 1xi1 h LEU 335 N 0.00 0.74 -0.58 1.64 3.38 -1.40 -3.19 115.31 115.90 1xi1 h LEU 335 Ca -0.00 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 1xi1 h LEU 335 Cb 0.87 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1xi1 h LEU 335 CO 0.06 1.52 0.25 -0.03 0.09 0.00 0.00 178.44 180.34 1xi1 h MET 336 N 0.22 0.85 0.00 1.13 4.05 -1.12 -1.23 114.93 118.83 1xi1 h MET 336 Ca -0.17 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.09 1xi1 h MET 336 Cb 1.91 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 32.56 1xi1 h MET 336 CO 0.23 0.71 -0.09 0.87 0.23 0.00 0.00 176.91 178.86 1xi1 h LYS 337 N 0.79 0.00 0.14 0.39 1.57 -1.45 -0.55 116.57 117.47 1xi1 h LYS 337 Ca 0.20 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.63 1xi1 h LYS 337 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1xi1 h LYS 337 CO -0.02 0.09 -1.80 1.49 -0.57 0.00 0.00 179.45 178.64 1xi1 h GLU 338 N 0.00 0.30 0.00 3.15 4.81 -1.41 -3.38 114.58 118.05 1xi1 h GLU 338 Ca -0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xi1 h GLU 338 Cb 0.24 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1xi1 h GLU 338 CO 0.01 1.20 -0.43 0.72 -0.73 0.00 0.00 179.01 179.78 1xi1 n HIS 339 N -3.49 0.52 -4.38 0.92 8.25 -0.51 -4.93 115.22 111.59 1xi1 n HIS 339 Ca -0.25 0.15 -0.19 0.00 -0.26 0.00 0.00 57.72 57.17 1xi1 n HIS 339 Cb 1.06 -0.65 -0.10 0.00 1.12 0.00 0.00 29.99 31.41 1xi1 n HIS 339 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1xi1 s TYR 340 N -3.12 1.76 -0.27 4.41 1.51 -0.23 -0.57 117.35 120.84 1xi1 s TYR 340 Ca 0.08 -1.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.05 1xi1 s TYR 340 Cb 0.14 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 1xi1 s TYR 340 CO 0.68 -0.09 0.13 -0.51 -1.11 0.00 0.00 175.55 174.64 1xi1 s ASP 341 N -3.40 5.53 -0.16 2.29 1.01 -0.42 -4.73 116.67 116.79 1xi1 s ASP 341 Ca 0.35 -0.17 -0.08 0.00 0.71 0.00 0.00 52.55 53.35 1xi1 s ASP 341 Cb 0.08 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.95 1xi1 s ASP 341 CO 0.13 -0.06 0.13 -0.76 0.21 0.00 0.00 175.17 174.82 1xi1 s LEU 342 N 1.67 4.24 -0.03 1.23 1.43 -1.26 -1.79 118.68 124.17 1xi1 s LEU 342 Ca 0.06 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 1xi1 s LEU 342 Cb -0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1xi1 s LEU 342 CO 0.07 0.28 -0.24 -0.31 0.23 0.00 0.00 176.35 176.38 1xi1 s TYR 343 N -0.27 2.38 -1.27 0.29 1.51 0.10 -4.77 117.35 115.33 1xi1 s TYR 343 Ca 0.11 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 1xi1 s TYR 343 Cb -0.12 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1xi1 s TYR 343 CO 0.01 -0.02 0.58 0.09 -1.11 0.00 0.00 175.55 175.10 1xi1 n ASN 344 N 2.44 -3.02 -4.68 2.29 3.02 -1.26 -1.91 115.26 112.14 1xi1 n ASN 344 Ca -0.16 -1.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.84 1xi1 n ASN 344 Cb 0.51 -2.63 -0.03 0.00 -0.61 0.00 0.00 39.78 37.02 1xi1 n ASN 344 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xi1 s VAL 345 N -3.71 3.77 -0.22 2.41 1.01 -1.26 -4.48 120.40 117.92 1xi1 s VAL 345 Ca 0.31 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.42 1xi1 s VAL 345 Cb -0.14 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1xi1 s VAL 345 CO 0.91 -0.02 -0.14 -0.70 0.00 0.00 0.00 175.10 175.16 1xi1 s GLU 346 N 2.58 2.71 -0.33 2.72 2.12 0.12 -4.97 118.70 123.64 1xi1 s GLU 346 Ca 0.63 -1.03 -0.23 0.00 0.36 0.00 0.00 54.97 54.70 1xi1 s GLU 346 Cb -0.31 -2.76 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1xi1 s GLU 346 CO 0.26 -0.37 0.77 0.71 -0.54 0.00 0.00 175.26 176.09 1xi1 s TYR 347 N 1.23 3.17 -0.15 5.30 1.51 -1.26 -0.86 117.35 126.29 1xi1 s TYR 347 Ca -0.01 0.68 -0.11 0.00 -1.01 0.00 0.00 57.07 56.63 1xi1 s TYR 347 Cb -0.16 -3.26 -0.05 0.00 -0.11 0.00 0.00 41.96 38.37 1xi1 s TYR 347 CO -0.09 -0.62 -0.12 -0.89 -1.11 0.00 0.00 175.55 172.72 1xi1 n ILE 348 N 5.62 1.43 -3.74 2.71 5.41 -0.45 -4.25 119.36 126.08 1xi1 n ILE 348 Ca 0.03 0.18 0.01 0.00 1.00 0.00 0.00 62.75 63.97 1xi1 n ILE 348 Cb 0.48 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.07 1xi1 n ILE 348 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xi1 s SER 349 N -5.90 -0.04 0.00 4.38 1.04 -1.22 0.29 113.70 112.25 1xi1 s SER 349 Ca -0.17 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.07 1xi1 s SER 349 Cb 0.03 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1xi1 s SER 349 CO 0.27 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1xi1 n GLY 350 N -0.61 2.32 2.91 7.32 0.00 -0.94 0.07 105.19 116.25 1xi1 n GLY 350 Ca -0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 1xi1 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xi1 s LEU 351 N 0.00 1.43 0.10 0.99 1.43 0.18 -2.38 118.68 120.43 1xi1 s LEU 351 Ca 0.00 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1xi1 s LEU 351 Cb 0.00 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1xi1 s LEU 351 CO 0.00 -0.03 0.21 -0.54 0.23 0.00 0.00 176.35 176.22 1xi1 s LYS 352 N 0.75 3.32 0.03 1.70 1.02 -0.09 -1.00 119.74 125.46 1xi1 s LYS 352 Ca -0.10 -0.57 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1xi1 s LYS 352 Cb -0.13 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1xi1 s LYS 352 CO 0.00 0.56 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.89 1xi1 s PHE 353 N -1.59 0.39 0.61 3.18 0.40 -0.35 -1.84 117.98 118.77 1xi1 s PHE 353 Ca 0.34 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 56.03 1xi1 s PHE 353 Cb -0.12 -0.25 -0.03 0.00 0.51 0.00 0.00 43.02 43.12 1xi1 s PHE 353 CO 0.27 -0.15 1.04 0.15 0.70 0.00 0.00 175.22 177.23 1xi1 s LYS 354 N -1.43 3.36 0.06 0.44 1.02 -1.24 -2.84 119.74 119.10 1xi1 s LYS 354 Ca -0.13 1.04 -0.11 0.00 0.02 0.00 0.00 55.97 56.79 1xi1 s LYS 354 Cb -0.10 -2.04 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 1xi1 s LYS 354 CO -0.01 -0.77 0.25 0.00 -0.92 0.00 0.00 175.35 173.91 1xi1 s ALA 355 N -2.73 -0.49 0.14 5.17 0.00 -1.26 -2.00 121.76 120.60 1xi1 s ALA 355 Ca 0.60 -0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 1xi1 s ALA 355 Cb -0.14 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1xi1 s ALA 355 CO 0.43 -0.44 0.41 -0.08 0.00 0.00 0.00 175.76 176.08 1xi1 s THR 356 N -2.95 0.06 -1.22 0.00 -1.32 -0.23 -4.93 115.64 105.05 1xi1 s THR 356 Ca -0.02 -0.69 0.12 0.00 -1.21 0.00 0.00 61.69 59.88 1xi1 s THR 356 Cb 0.01 -1.30 0.21 0.00 -1.51 0.00 0.00 72.50 69.91 1xi1 s THR 356 CO -0.06 -0.29 1.08 0.35 -2.21 0.00 0.00 174.62 173.49 1xi1 n THR 357 N -0.24 0.51 -0.40 5.08 -2.24 -1.26 -1.31 114.28 114.42 1xi1 n THR 357 Ca -0.14 -0.76 0.07 0.00 -2.27 0.00 0.00 64.05 60.95 1xi1 n THR 357 Cb 0.63 0.86 0.20 0.00 -2.10 0.00 0.00 70.33 69.92 1xi1 n THR 357 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xi1 n GLY 358 N 0.62 3.04 0.20 3.38 0.00 -1.26 -4.55 105.19 106.61 1xi1 n GLY 358 Ca 0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 1xi1 n GLY 358 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xi1 h LEU 359 N 2.21 0.22 -1.33 0.99 3.38 -1.87 -3.35 115.31 115.56 1xi1 h LEU 359 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1xi1 h LEU 359 Cb 0.95 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xi1 h LEU 359 CO 0.07 0.60 0.00 0.49 0.09 0.00 0.00 178.44 179.69 1xi1 n PHE 360 N -4.04 0.00 -0.09 1.13 3.01 -1.26 -4.74 117.46 111.47 1xi1 n PHE 360 Ca -0.01 -0.01 -0.07 0.00 1.01 0.00 0.00 57.45 58.37 1xi1 n PHE 360 Cb 0.47 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.94 1xi1 n PHE 360 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xi1 h LYS 361 N 1.53 0.18 -0.78 -1.08 1.57 -1.83 0.41 116.57 116.57 1xi1 h LYS 361 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1xi1 h LYS 361 Cb 0.33 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1xi1 h LYS 361 CO 0.00 0.12 0.30 -0.44 -0.57 0.00 0.00 179.45 178.86 1xi1 h ASP 362 N 0.19 1.09 -0.40 0.86 3.32 -1.85 0.48 116.42 120.12 1xi1 h ASP 362 Ca 0.15 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1xi1 h ASP 362 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1xi1 h ASP 362 CO -0.19 0.98 0.01 0.15 -1.72 0.00 0.00 179.24 178.46 1xi1 h PHE 363 N 1.15 0.75 -0.20 4.55 3.57 -1.80 -2.22 116.94 122.73 1xi1 h PHE 363 Ca 0.26 -0.13 -0.21 0.00 3.53 0.00 0.00 57.97 61.42 1xi1 h PHE 363 Cb 0.24 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.79 1xi1 h PHE 363 CO 0.02 0.77 -0.70 0.82 -2.23 0.00 0.00 178.31 176.99 1xi1 h ILE 364 N 0.52 1.27 -0.28 1.41 2.04 -0.60 -2.70 117.51 119.18 1xi1 h ILE 364 Ca 0.11 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.09 1xi1 h ILE 364 Cb 0.46 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1xi1 h ILE 364 CO 0.02 0.61 0.18 0.44 0.00 0.00 0.00 178.15 179.40 1xi1 h ASP 365 N 0.59 0.32 0.22 1.72 3.32 -0.06 -0.27 116.42 122.26 1xi1 h ASP 365 Ca -0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1xi1 h ASP 365 Cb 1.33 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1xi1 h ASP 365 CO 0.15 0.25 -0.31 0.50 -1.72 0.00 0.00 179.24 178.11 1xi1 h LYS 366 N 0.37 -0.57 0.00 3.56 3.64 -1.40 -1.53 116.57 120.64 1xi1 h LYS 366 Ca 0.10 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1xi1 h LYS 366 Cb -0.03 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xi1 h LYS 366 CO -0.02 -0.38 0.00 -1.49 -2.27 0.00 0.00 179.45 175.29 1xi1 h TRP 367 N -0.59 0.00 0.08 1.91 4.06 -1.45 -2.20 115.95 117.76 1xi1 h TRP 367 Ca 0.01 0.00 -0.26 0.00 2.06 0.00 0.00 58.89 60.70 1xi1 h TRP 367 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1xi1 h TRP 367 CO -0.23 0.00 -1.12 1.15 -3.56 0.00 0.00 178.44 174.68 1xi1 h THR 368 N 0.00 1.45 0.29 1.49 2.02 -0.91 -1.61 112.91 115.63 1xi1 h THR 368 Ca 0.00 -2.78 -0.01 0.00 0.77 0.00 0.00 66.41 64.38 1xi1 h THR 368 Cb 0.78 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1xi1 h THR 368 CO 0.00 0.82 -0.14 0.22 0.37 0.00 0.00 175.52 176.79 1xi1 h TYR 369 N 0.14 -0.36 -0.97 3.16 3.20 -1.14 0.01 116.97 121.02 1xi1 h TYR 369 Ca -0.12 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 61.87 1xi1 h TYR 369 Cb 1.81 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 40.11 1xi1 h TYR 369 CO 0.06 -0.08 0.61 0.82 -1.64 0.00 0.00 178.16 177.94 1xi1 h ILE 370 N -0.61 0.89 -0.09 1.81 2.04 -1.45 0.15 117.51 120.26 1xi1 h ILE 370 Ca -0.04 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1xi1 h ILE 370 Cb 0.44 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1xi1 h ILE 370 CO 0.06 0.16 0.03 0.50 0.00 0.00 0.00 178.15 178.90 1xi1 h LYS 371 N 0.90 0.13 0.00 2.37 3.11 -0.95 -1.85 116.57 120.28 1xi1 h LYS 371 Ca 0.48 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.24 1xi1 h LYS 371 Cb 0.56 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1xi1 h LYS 371 CO -0.25 0.29 -0.25 1.15 -2.81 0.00 0.00 179.45 177.58 1xi1 h THR 372 N -0.05 0.75 -0.60 1.00 2.02 -0.14 -3.10 112.91 112.79 1xi1 h THR 372 Ca 0.03 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1xi1 h THR 372 Cb 0.22 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1xi1 h THR 372 CO -0.00 0.25 0.00 1.07 0.37 0.00 0.00 175.52 177.21 1xi1 n THR 373 N -3.61 1.62 -4.56 3.16 5.66 0.45 -4.99 114.28 112.01 1xi1 n THR 373 Ca -0.01 -1.19 -0.27 0.00 -3.05 0.00 0.00 64.05 59.53 1xi1 n THR 373 Cb 0.39 0.21 -0.08 0.00 -1.55 0.00 0.00 70.33 69.29 1xi1 n THR 373 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1xi1 s SER 374 N -1.02 3.05 0.05 1.09 0.01 -0.71 -5.00 113.70 111.17 1xi1 s SER 374 Ca 0.47 -1.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.03 1xi1 s SER 374 Cb 0.29 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.96 1xi1 s SER 374 CO 0.24 -0.89 0.10 -0.70 0.41 0.00 0.00 173.24 172.40 1xi1 s GLU 375 N -3.75 0.65 4.11 12.44 2.12 -1.26 -4.78 118.70 128.23 1xi1 s GLU 375 Ca 0.21 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1xi1 s GLU 375 Cb 0.03 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1xi1 s GLU 375 CO 0.12 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1xi1 n GLY 376 N 0.49 3.24 0.13 -1.50 0.00 -1.26 -3.40 105.19 102.89 1xi1 n GLY 376 Ca -0.17 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1xi1 n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi1 h ALA 377 N -0.51 -0.49 -0.88 4.61 0.00 -1.67 -1.87 119.26 118.45 1xi1 h ALA 377 Ca 0.00 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.13 1xi1 h ALA 377 Cb 0.00 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1xi1 h ALA 377 CO 0.00 -0.56 0.61 0.82 0.00 0.00 0.00 179.25 180.12 1xi1 h ILE 378 N -0.14 0.62 -0.11 0.00 1.08 -1.94 -0.56 117.51 116.47 1xi1 h ILE 378 Ca 0.01 -0.07 -0.23 0.00 -0.39 0.00 0.00 64.86 64.19 1xi1 h ILE 378 Cb 0.18 0.40 0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1xi1 h ILE 378 CO -0.14 0.04 -0.83 0.50 -0.69 0.00 0.00 178.15 177.02 1xi1 h LYS 379 N 0.20 0.72 -0.06 2.37 3.64 -1.54 -1.79 116.57 120.11 1xi1 h LYS 379 Ca 0.44 -0.63 -0.10 0.00 -1.27 0.00 0.00 60.65 59.10 1xi1 h LYS 379 Cb 1.41 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 1xi1 h LYS 379 CO -0.10 1.23 -0.42 1.96 -2.27 0.00 0.00 179.45 179.86 1xi1 h GLN 380 N 0.47 0.14 -0.14 1.90 1.08 -0.32 -1.93 115.11 116.30 1xi1 h GLN 380 Ca -0.07 -0.06 -0.21 0.00 -1.45 0.00 0.00 58.65 56.86 1xi1 h GLN 380 Cb 1.46 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1xi1 h GLN 380 CO 0.17 0.53 -0.74 -0.07 -0.95 0.00 0.00 178.83 177.77 1xi1 h LEU 381 N 0.11 0.78 -0.82 1.46 3.38 -1.25 -2.01 115.31 116.97 1xi1 h LEU 381 Ca 0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1xi1 h LEU 381 Cb 0.79 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1xi1 h LEU 381 CO 0.06 1.28 0.44 0.00 0.09 0.00 0.00 178.44 180.31 1xi1 h ALA 382 N 0.71 1.05 -0.30 1.53 0.00 -0.97 0.02 119.26 121.30 1xi1 h ALA 382 Ca -0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1xi1 h ALA 382 Cb 1.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xi1 h ALA 382 CO 0.14 0.57 -0.14 0.87 0.00 0.00 0.00 179.25 180.69 1xi1 h LYS 383 N 1.14 0.52 -0.28 0.00 1.57 -1.24 -1.73 116.57 116.55 1xi1 h LYS 383 Ca 0.29 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1xi1 h LYS 383 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1xi1 h LYS 383 CO -0.04 0.65 0.06 -0.07 -0.57 0.00 0.00 179.45 179.48 1xi1 h LEU 384 N 0.47 0.43 -0.48 2.94 3.38 -0.54 0.16 115.31 121.67 1xi1 h LEU 384 Ca 0.08 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1xi1 h LEU 384 Cb 0.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1xi1 h LEU 384 CO 0.03 0.56 0.20 0.24 0.09 0.00 0.00 178.44 179.56 1xi1 h MET 385 N 0.29 0.38 -0.04 1.13 2.86 -0.75 0.13 114.93 118.94 1xi1 h MET 385 Ca 0.09 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1xi1 h MET 385 Cb 0.30 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1xi1 h MET 385 CO 0.00 0.25 -0.69 -0.07 1.06 0.00 0.00 176.91 177.47 1xi1 h LEU 386 N 0.39 0.20 0.00 1.22 3.38 -1.07 -3.32 115.31 116.12 1xi1 h LEU 386 Ca 0.22 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1xi1 h LEU 386 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1xi1 h LEU 386 CO -0.20 0.83 -1.05 0.78 0.09 0.00 0.00 178.44 178.88 1xi1 h ASN 387 N 0.12 0.00 0.24 -0.43 2.35 -0.26 -3.37 115.58 114.23 1xi1 h ASN 387 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1xi1 h ASN 387 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1xi1 h ASN 387 CO 0.10 0.45 -0.24 -1.20 -1.65 0.00 0.00 177.43 174.90 1xi1 n SER 388 N -2.96 0.98 0.04 5.81 7.64 0.42 -4.41 113.62 121.14 1xi1 n SER 388 Ca -0.04 -0.87 -0.12 0.00 1.01 0.00 0.00 58.87 58.85 1xi1 n SER 388 Cb 0.76 0.11 -0.08 0.00 -1.01 0.00 0.00 64.21 63.99 1xi1 n SER 388 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xi1 h LEU 389 N 1.17 -0.15 -0.85 -3.43 5.85 -1.73 -3.30 115.31 112.88 1xi1 h LEU 389 Ca 0.00 -0.41 0.21 0.00 0.84 0.00 0.00 57.88 58.52 1xi1 h LEU 389 Cb 0.49 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 1xi1 h LEU 389 CO 0.00 0.41 0.04 0.22 -0.34 0.00 0.00 178.44 178.77 1xi1 h TYR 390 N -0.79 0.01 -0.57 1.25 3.20 -1.84 0.07 116.97 118.30 1xi1 h TYR 390 Ca -0.02 0.06 0.15 0.00 3.14 0.00 0.00 58.73 62.06 1xi1 h TYR 390 Cb 0.55 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 1xi1 h TYR 390 CO 0.10 -0.29 0.40 0.78 -1.64 0.00 0.00 178.16 177.50 1xi1 h GLY 391 N 0.10 0.16 2.00 1.82 0.00 -1.82 -2.23 103.07 103.10 1xi1 h GLY 391 Ca 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1xi1 h GLY 391 CO -0.74 0.02 -0.06 0.50 0.00 0.00 0.00 176.54 176.26 1xi1 h LYS 392 N 0.10 0.00 0.02 4.80 1.79 -1.09 -2.95 116.57 119.24 1xi1 h LYS 392 Ca 0.27 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.43 1xi1 h LYS 392 Cb 0.94 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.54 1xi1 h LYS 392 CO -0.03 0.06 -1.84 1.19 -1.08 0.00 0.00 179.45 177.75 1xi1 n PHE 393 N -3.26 0.94 -2.53 -1.35 3.01 -0.85 -4.30 117.46 109.12 1xi1 n PHE 393 Ca -0.01 0.30 -0.40 0.00 1.01 0.00 0.00 57.45 58.35 1xi1 n PHE 393 Cb 0.25 -1.16 0.02 0.00 -0.01 0.00 0.00 39.48 38.58 1xi1 n PHE 393 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xi1 n ALA 394 N -2.67 6.11 -3.87 4.37 0.00 -1.12 -4.12 120.51 119.22 1xi1 n ALA 394 Ca -0.22 -4.53 -0.25 0.00 0.00 0.00 0.00 53.44 48.44 1xi1 n ALA 394 Cb 1.06 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 1xi1 n ALA 394 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xi1 n SER 395 N -0.14 2.54 -4.81 0.00 7.64 -1.22 -4.93 113.62 112.69 1xi1 n SER 395 Ca 0.48 -2.63 -0.32 0.00 1.01 0.00 0.00 58.87 57.40 1xi1 n SER 395 Cb 0.26 -0.02 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 1xi1 n SER 395 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1xi1 s ASN 396 N -3.74 5.80 0.00 6.43 2.47 -1.26 -5.02 114.94 119.61 1xi1 s ASN 396 Ca 0.25 0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1xi1 s ASN 396 Cb -0.02 -1.67 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 1xi1 s ASN 396 CO 0.16 0.24 0.46 -2.65 -3.72 0.00 0.00 177.10 171.58 1xi1 n PRO 397 N 0.88 0.00 -2.02 0.43 -0.02 -1.26 -4.84 135.00 128.17 1xi1 n PRO 397 Ca -0.11 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 1xi1 n PRO 397 Cb 0.52 -0.97 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 1xi1 n PRO 397 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1xi1 s ASP 398 N -1.86 6.67 -0.25 2.55 -4.77 -1.26 -2.80 116.67 114.95 1xi1 s ASP 398 Ca 0.00 2.58 0.14 0.00 -3.30 0.00 0.00 52.55 51.97 1xi1 s ASP 398 Cb 0.00 -2.61 0.79 0.00 -1.09 0.00 0.00 42.92 40.01 1xi1 s ASP 398 CO 0.00 -0.73 1.73 0.52 0.70 0.00 0.00 175.17 177.40 1xi1 n VAL 399 N 3.19 2.76 -1.80 2.11 0.31 0.25 -4.92 118.33 120.23 1xi1 n VAL 399 Ca 0.10 -1.50 -0.42 0.00 -0.01 0.00 0.00 64.34 62.51 1xi1 n VAL 399 Cb 0.40 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 33.01 1xi1 n VAL 399 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1xi1 s THR 400 N -2.82 2.51 0.00 2.52 2.01 -1.10 -4.83 115.64 113.93 1xi1 s THR 400 Ca 0.54 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.74 1xi1 s THR 400 Cb 0.42 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1xi1 s THR 400 CO 0.15 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1xi1 n GLY 401 N 4.03 4.18 3.78 4.40 0.00 -1.26 -3.81 105.19 116.51 1xi1 n GLY 401 Ca 0.16 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1xi1 n GLY 401 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi1 s LYS 402 N -1.64 4.53 -0.17 1.61 1.02 -0.83 0.42 119.74 124.67 1xi1 s LYS 402 Ca 0.00 1.11 -0.00 0.00 0.02 0.00 0.00 55.97 57.10 1xi1 s LYS 402 Cb 0.00 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1xi1 s LYS 402 CO 0.00 0.57 -0.15 0.08 -0.92 0.00 0.00 175.35 174.93 1xi1 s VAL 403 N -1.11 2.54 0.66 3.17 1.01 0.42 -4.47 120.40 122.62 1xi1 s VAL 403 Ca 0.35 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1xi1 s VAL 403 Cb -0.23 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1xi1 s VAL 403 CO 0.25 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.75 1xi1 s PRO 404 N 1.10 3.24 -0.02 2.72 0.04 -1.26 -1.20 135.00 139.62 1xi1 s PRO 404 Ca 0.00 0.80 -0.28 0.00 0.04 0.00 0.00 61.00 61.55 1xi1 s PRO 404 Cb -0.14 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.46 1xi1 s PRO 404 CO -0.05 -0.84 0.83 1.52 0.04 0.00 0.00 177.00 178.49 1xi1 s TYR 405 N -3.14 -0.44 -0.15 0.56 -0.85 -0.72 -4.81 117.35 107.79 1xi1 s TYR 405 Ca 0.57 0.50 -0.16 0.00 -0.52 0.00 0.00 57.07 57.45 1xi1 s TYR 405 Cb -0.12 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.67 1xi1 s TYR 405 CO 0.54 -0.56 0.38 -1.17 -1.52 0.00 0.00 175.55 173.22 1xi1 s LEU 406 N -1.97 4.24 0.65 -3.49 2.96 -1.26 -0.21 118.68 119.60 1xi1 s LEU 406 Ca -0.00 0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1xi1 s LEU 406 Cb -0.01 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.20 1xi1 s LEU 406 CO -0.04 0.03 0.96 -0.54 -1.32 0.00 0.00 176.35 175.45 1xi1 s LYS 407 N 0.65 2.50 0.50 1.98 1.02 0.40 -4.91 119.74 121.89 1xi1 s LYS 407 Ca 0.21 -0.17 0.27 0.00 0.02 0.00 0.00 55.97 56.30 1xi1 s LYS 407 Cb -0.14 -2.22 1.30 0.00 -0.52 0.00 0.00 37.83 36.25 1xi1 s LYS 407 CO 0.07 -1.00 1.99 1.49 -0.92 0.00 0.00 175.35 176.98 1xi1 h GLU 408 N -0.41 0.00 -0.08 1.68 4.81 -1.98 -2.16 114.58 116.44 1xi1 h GLU 408 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xi1 h GLU 408 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1xi1 h GLU 408 CO 0.60 0.15 0.00 0.27 -0.73 0.00 0.00 179.01 179.30 1xi1 n ASN 409 N -3.50 0.66 0.00 1.04 2.04 -1.26 -4.89 115.26 109.35 1xi1 n ASN 409 Ca -0.01 -1.65 0.00 0.00 -0.44 0.00 0.00 54.58 52.48 1xi1 n ASN 409 Cb 0.30 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 1xi1 n ASN 409 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1xi1 n GLY 410 N 0.87 1.98 3.93 4.83 0.00 -0.81 -4.52 105.19 111.46 1xi1 n GLY 410 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1xi1 n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi1 s ALA 411 N -2.33 3.56 0.42 4.61 0.00 -1.26 -4.43 121.76 122.32 1xi1 s ALA 411 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1xi1 s ALA 411 Cb 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 1xi1 s ALA 411 CO 0.00 -0.38 0.85 -0.51 0.00 0.00 0.00 175.76 175.73 1xi1 s LEU 412 N -4.64 3.85 0.28 0.00 1.43 -1.26 -0.45 118.68 117.89 1xi1 s LEU 412 Ca 0.47 1.40 0.04 0.00 -1.03 0.00 0.00 54.13 55.01 1xi1 s LEU 412 Cb -0.10 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 41.79 1xi1 s LEU 412 CO 0.41 -0.39 0.00 -0.83 0.23 0.00 0.00 176.35 175.77 1xi1 s GLY 413 N -2.72 1.82 -0.01 -3.19 0.00 0.70 -4.82 107.32 99.10 1xi1 s GLY 413 Ca 0.56 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1xi1 s GLY 413 CO 0.24 -1.77 0.08 -1.36 0.00 0.00 0.00 173.10 170.30 1xi1 s PHE 414 N -3.26 0.05 0.03 1.90 0.40 -1.26 -1.76 117.98 114.08 1xi1 s PHE 414 Ca 0.32 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1xi1 s PHE 414 Cb 0.06 -0.06 -0.02 0.00 0.51 0.00 0.00 43.02 43.51 1xi1 s PHE 414 CO 0.12 -0.19 -0.01 -0.98 0.70 0.00 0.00 175.22 174.86 1xi1 s ARG 415 N -0.96 0.40 0.23 0.44 1.70 -0.34 -4.90 118.95 115.52 1xi1 s ARG 415 Ca -0.10 -0.71 -0.32 0.00 -0.47 0.00 0.00 55.73 54.13 1xi1 s ARG 415 Cb -0.06 0.14 -0.12 0.00 -0.57 0.00 0.00 34.95 34.34 1xi1 s ARG 415 CO 0.00 -0.07 1.66 -0.11 -1.08 0.00 0.00 175.30 175.71 1xi1 n LEU 416 N 1.27 4.03 -4.89 -1.89 7.94 -1.26 -0.43 117.00 121.76 1xi1 n LEU 416 Ca -0.22 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.48 1xi1 n LEU 416 Cb 0.56 -1.57 0.04 0.00 0.53 0.00 0.00 43.42 42.99 1xi1 n LEU 416 CO 0.22 0.12 0.70 -0.83 -1.11 0.00 0.00 177.39 176.49 1xi1 s GLY 417 N 0.90 1.62 0.63 -3.96 0.00 0.17 -4.80 107.32 101.88 1xi1 s GLY 417 Ca 0.72 -0.42 -0.18 0.00 0.00 0.00 0.00 44.72 44.83 1xi1 s GLY 417 CO 0.38 -0.07 0.99 1.18 0.00 0.00 0.00 173.10 175.58 1xi1 n GLU 418 N -2.92 0.82 -1.04 2.90 1.02 -1.26 -4.67 120.64 115.49 1xi1 n GLU 418 Ca 0.06 0.33 -0.36 0.00 -0.02 0.00 0.00 57.16 57.17 1xi1 n GLU 418 Cb 0.57 -2.21 0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1xi1 n GLU 418 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1xi1 n GLU 419 N -1.27 -0.01 -3.51 3.49 2.13 -1.26 -4.73 120.64 115.48 1xi1 n GLU 419 Ca 0.14 0.02 0.01 0.00 0.66 0.00 0.00 57.16 57.99 1xi1 n GLU 419 Cb 0.48 -1.38 -0.05 0.00 0.27 0.00 0.00 31.44 30.76 1xi1 n GLU 419 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1xi1 s GLU 420 N -2.41 0.23 0.01 5.31 2.12 -1.26 -4.92 118.70 117.78 1xi1 s GLU 420 Ca 0.52 0.46 0.05 0.00 0.36 0.00 0.00 54.97 56.36 1xi1 s GLU 420 Cb -0.27 0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.26 1xi1 s GLU 420 CO 0.72 -0.06 -0.16 -0.08 -0.54 0.00 0.00 175.26 175.13 1xi1 s THR 421 N 1.67 1.29 0.00 -1.70 -1.32 -1.26 0.87 115.64 115.19 1xi1 s THR 421 Ca -0.06 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1xi1 s THR 421 Cb -0.04 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1xi1 s THR 421 CO -0.15 0.24 0.00 2.29 -2.21 0.00 0.00 174.62 174.79 1xi1 n LYS 422 N 2.33 3.84 -4.40 7.08 2.85 -1.12 -4.86 118.16 123.89 1xi1 n LYS 422 Ca -0.16 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 56.88 1xi1 n LYS 422 Cb 0.54 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.76 1xi1 n LYS 422 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1xi1 s ASP 423 N -0.55 1.33 1.14 -5.58 1.01 -1.26 -4.95 116.67 107.82 1xi1 s ASP 423 Ca 0.00 -0.21 -0.18 0.00 0.71 0.00 0.00 52.55 52.87 1xi1 s ASP 423 Cb 0.00 -0.55 0.15 0.00 1.01 0.00 0.00 42.92 43.52 1xi1 s ASP 423 CO 0.00 0.02 0.20 -2.65 0.21 0.00 0.00 175.17 172.95 1xi1 n PRO 424 N 3.73 -1.86 -0.10 8.23 -0.02 -1.26 -5.00 135.00 138.72 1xi1 n PRO 424 Ca -0.22 -0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 60.53 1xi1 n PRO 424 Cb 0.52 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.14 1xi1 n PRO 424 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xi1 n VAL 425 N -4.58 1.09 0.00 -1.45 0.31 -1.26 -4.96 118.33 107.47 1xi1 n VAL 425 Ca 0.01 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1xi1 n VAL 425 Cb 0.61 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1xi1 n VAL 425 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xi1 n TYR 426 N -3.76 0.00 -0.24 3.52 9.36 -1.26 -4.72 117.16 120.06 1xi1 n TYR 426 Ca -0.38 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 60.79 1xi1 n TYR 426 Cb 0.79 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.61 1xi1 n TYR 426 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1xi1 h THR 427 N 0.00 1.25 -0.59 2.97 2.02 -1.94 -2.53 112.91 114.08 1xi1 h THR 427 Ca 0.00 -0.80 0.17 0.00 0.77 0.00 0.00 66.41 66.55 1xi1 h THR 427 Cb 0.00 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1xi1 h THR 427 CO 0.00 0.32 0.43 -0.65 0.37 0.00 0.00 175.52 175.99 1xi1 h PRO 428 N 1.05 0.00 -0.24 6.66 0.11 -1.94 -1.01 132.00 136.63 1xi1 h PRO 428 Ca 0.24 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.18 1xi1 h PRO 428 Cb 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1xi1 h PRO 428 CO -0.02 0.00 -0.53 1.98 -0.21 0.00 0.00 178.00 179.23 1xi1 h MET 429 N 0.00 0.79 -0.54 1.05 4.05 -1.72 -2.88 114.93 115.67 1xi1 h MET 429 Ca 0.28 -0.52 -0.09 0.00 -0.28 0.00 0.00 59.70 59.09 1xi1 h MET 429 Cb 1.13 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.98 1xi1 h MET 429 CO -0.00 1.15 -0.02 0.78 0.23 0.00 0.00 176.91 179.04 1xi1 h GLY 430 N 0.53 1.02 0.99 1.39 0.00 -1.26 -1.46 103.07 104.28 1xi1 h GLY 430 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1xi1 h GLY 430 CO 0.12 0.67 0.09 -2.08 0.00 0.00 0.00 176.54 175.34 1xi1 h VAL 431 N 0.86 1.03 0.00 4.60 2.07 -1.41 -2.60 116.25 120.80 1xi1 h VAL 431 Ca 0.16 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 1xi1 h VAL 431 Cb 0.54 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1xi1 h VAL 431 CO 0.03 0.03 -0.55 -0.26 0.02 0.00 0.00 177.57 176.84 1xi1 h PHE 432 N 0.19 0.00 -0.32 1.57 -1.00 -1.39 -1.13 116.94 114.86 1xi1 h PHE 432 Ca 0.05 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.73 1xi1 h PHE 432 Cb -0.02 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 1xi1 h PHE 432 CO -0.07 0.55 -0.21 0.82 -1.61 0.00 0.00 178.31 177.79 1xi1 h ILE 433 N 0.00 1.29 -0.11 -0.55 2.04 -1.20 -0.78 117.51 118.20 1xi1 h ILE 433 Ca -0.01 -1.35 -0.19 0.00 1.00 0.00 0.00 64.86 64.31 1xi1 h ILE 433 Cb 1.25 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1xi1 h ILE 433 CO 0.07 0.44 -0.72 0.71 0.00 0.00 0.00 178.15 178.65 1xi1 h THR 434 N 0.46 1.34 -0.27 -0.27 1.35 -1.47 -1.94 112.91 112.12 1xi1 h THR 434 Ca 0.06 -2.06 -0.00 0.00 -0.55 0.00 0.00 66.41 63.86 1xi1 h THR 434 Cb 0.76 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1xi1 h THR 434 CO 0.06 0.63 0.16 0.00 -0.25 0.00 0.00 175.52 176.11 1xi1 h ALA 435 N 0.84 0.35 -0.36 6.62 0.00 -1.08 0.15 119.26 125.78 1xi1 h ALA 435 Ca -0.03 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1xi1 h ALA 435 Cb 1.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1xi1 h ALA 435 CO 0.13 -0.14 -0.06 -1.49 0.00 0.00 0.00 179.25 177.69 1xi1 h TRP 436 N 0.33 0.62 -0.59 0.00 4.06 -1.11 0.23 115.95 119.51 1xi1 h TRP 436 Ca 0.10 -0.09 -0.08 0.00 2.06 0.00 0.00 58.89 60.88 1xi1 h TRP 436 Cb 0.04 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.00 1xi1 h TRP 436 CO -0.04 0.64 0.07 0.00 -3.56 0.00 0.00 178.44 175.55 1xi1 h ALA 437 N 1.39 0.78 -0.31 1.49 0.00 -0.78 -0.01 119.26 121.82 1xi1 h ALA 437 Ca 0.11 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1xi1 h ALA 437 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xi1 h ALA 437 CO 0.02 0.56 -0.43 0.00 0.00 0.00 0.00 179.25 179.41 1xi1 h ARG 438 N 0.89 0.79 -0.54 0.00 3.08 -0.22 -2.67 114.38 115.70 1xi1 h ARG 438 Ca 0.17 -0.43 0.02 0.00 0.07 0.00 0.00 59.98 59.81 1xi1 h ARG 438 Cb 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1xi1 h ARG 438 CO 0.02 1.06 0.36 -0.92 -1.07 0.00 0.00 179.97 179.41 1xi1 h TYR 439 N 0.63 0.65 -0.03 3.04 3.20 -0.08 0.17 116.97 124.55 1xi1 h TYR 439 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xi1 h TYR 439 Cb 0.99 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 1xi1 h TYR 439 CO 0.05 0.40 -0.01 1.15 -1.64 0.00 0.00 178.16 178.11 1xi1 h THR 440 N 0.69 1.32 -0.36 1.81 2.02 -0.76 -2.74 112.91 114.90 1xi1 h THR 440 Ca 0.21 -0.98 -0.16 0.00 0.77 0.00 0.00 66.41 66.25 1xi1 h THR 440 Cb -0.01 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1xi1 h THR 440 CO -0.05 0.26 -0.40 0.74 0.37 0.00 0.00 175.52 176.44 1xi1 h THR 441 N -0.33 1.28 -0.05 3.16 2.02 -1.22 -3.17 112.91 114.60 1xi1 h THR 441 Ca 0.01 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 1xi1 h THR 441 Cb 0.43 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1xi1 h THR 441 CO 0.00 0.52 -0.02 0.40 0.37 0.00 0.00 175.52 176.80 1xi1 h ILE 442 N 0.71 1.31 0.00 3.11 2.04 -0.75 -2.63 117.51 121.31 1xi1 h ILE 442 Ca 0.05 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1xi1 h ILE 442 Cb 0.99 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1xi1 h ILE 442 CO 0.10 0.26 -0.14 0.71 0.00 0.00 0.00 178.15 179.08 1xi1 h THR 443 N -0.28 0.81 -0.02 -0.27 1.35 -1.60 -0.97 112.91 111.93 1xi1 h THR 443 Ca 0.01 -0.53 -0.14 0.00 -0.55 0.00 0.00 66.41 65.20 1xi1 h THR 443 Cb 0.43 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1xi1 h THR 443 CO 0.01 0.14 -0.52 0.00 -0.25 0.00 0.00 175.52 174.90 1xi1 h ALA 444 N 1.86 0.09 -0.39 6.62 0.00 -1.52 -2.45 119.26 123.47 1xi1 h ALA 444 Ca -0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1xi1 h ALA 444 Cb 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xi1 h ALA 444 CO 0.02 0.30 -0.16 0.00 0.00 0.00 0.00 179.25 179.41 1xi1 h ALA 445 N 0.34 0.99 -0.12 0.00 0.00 -1.25 -2.37 119.26 116.85 1xi1 h ALA 445 Ca -0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1xi1 h ALA 445 Cb 1.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1xi1 h ALA 445 CO 0.10 0.60 -0.41 0.37 0.00 0.00 0.00 179.25 179.91 1xi1 h GLN 446 N 0.64 0.26 0.00 0.00 5.75 -1.25 -1.89 115.11 118.62 1xi1 h GLN 446 Ca 0.10 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1xi1 h GLN 446 Cb 0.64 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.19 1xi1 h GLN 446 CO 0.04 0.63 -0.02 0.00 -2.65 0.00 0.00 178.83 176.84 1xi1 h ALA 447 N 1.35 1.01 -0.38 3.38 0.00 -0.92 -2.04 119.26 121.66 1xi1 h ALA 447 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1xi1 h ALA 447 Cb 0.83 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1xi1 h ALA 447 CO 0.07 0.02 -0.08 0.00 0.00 0.00 0.00 179.25 179.26 1xi1 h TYR 449 N 1.04 0.73 0.00 0.00 3.20 -0.61 -0.09 116.97 121.23 1xi1 h TYR 449 Ca 0.24 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 1xi1 h TYR 449 Cb 1.67 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 1xi1 h TYR 449 CO 1.07 -0.14 -0.01 -0.44 -1.64 0.00 0.00 178.16 177.00 1xi1 h ASP 450 N 0.33 0.00 -0.05 -2.11 3.32 -1.87 -3.07 116.42 112.97 1xi1 h ASP 450 Ca 0.65 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.70 1xi1 h ASP 450 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1xi1 h ASP 450 CO -0.60 0.01 0.00 0.54 -1.72 0.00 0.00 179.24 177.47 1xi1 n ARG 451 N -4.49 0.55 -2.23 3.56 1.74 -0.16 -5.00 116.66 110.63 1xi1 n ARG 451 Ca -0.03 -1.09 -0.42 0.00 -0.77 0.00 0.00 57.85 55.54 1xi1 n ARG 451 Cb 0.10 -1.13 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 1xi1 n ARG 451 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xi1 s ILE 452 N -0.64 3.66 -0.07 0.55 1.10 -0.51 -0.50 121.20 124.79 1xi1 s ILE 452 Ca 0.09 1.10 -0.11 0.00 -0.51 0.00 0.00 60.65 61.22 1xi1 s ILE 452 Cb 0.06 -3.71 -0.04 0.00 0.15 0.00 0.00 42.46 38.92 1xi1 s ILE 452 CO 0.08 0.02 -0.21 -0.38 -2.11 0.00 0.00 174.94 172.35 1xi1 n ILE 453 N 4.45 1.37 -3.97 2.00 5.41 0.95 -4.80 119.36 124.77 1xi1 n ILE 453 Ca 0.12 0.23 -0.09 0.00 1.00 0.00 0.00 62.75 64.01 1xi1 n ILE 453 Cb 0.44 -2.03 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 1xi1 n ILE 453 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1xi1 s TYR 454 N -2.53 0.27 -0.02 1.39 5.04 -1.12 -0.63 117.35 119.76 1xi1 s TYR 454 Ca -0.18 -0.61 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 1xi1 s TYR 454 Cb 0.03 -0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.16 1xi1 s TYR 454 CO 0.26 -0.32 0.01 0.00 -1.34 0.00 0.00 175.55 174.16 1xi1 s ASP 456 N 0.77 2.32 0.00 0.00 -1.08 -0.80 -0.84 116.67 117.04 1xi1 s ASP 456 Ca -0.07 -2.84 0.00 0.00 -0.52 0.00 0.00 52.55 49.12 1xi1 s ASP 456 Cb -0.10 -0.57 0.00 0.00 -1.46 0.00 0.00 42.92 40.79 1xi1 s ASP 456 CO -0.02 -0.21 0.00 0.35 0.52 0.00 0.00 175.17 175.81 1xi1 n THR 457 N 3.18 0.00 -0.46 1.71 -2.24 0.20 -2.90 114.28 113.77 1xi1 n THR 457 Ca 0.22 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1xi1 n THR 457 Cb 0.43 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.80 1xi1 n THR 457 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xi1 n ASP 458 N 0.00 2.89 -4.03 3.42 3.85 -1.26 -4.68 116.55 116.74 1xi1 n ASP 458 Ca 0.00 -2.40 -0.11 0.00 -0.71 0.00 0.00 54.79 51.57 1xi1 n ASP 458 Cb 0.00 -0.29 -0.11 0.00 -1.35 0.00 0.00 41.12 39.37 1xi1 n ASP 458 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1xi1 s SER 459 N -1.48 0.57 -0.02 -1.12 1.04 -1.14 -0.90 113.70 110.64 1xi1 s SER 459 Ca 0.24 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1xi1 s SER 459 Cb 0.17 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 1xi1 s SER 459 CO 0.09 -0.29 -0.15 0.27 0.98 0.00 0.00 173.24 174.14 1xi1 s ILE 460 N -1.70 1.24 -0.23 -1.02 -4.36 -0.19 -1.91 121.20 113.03 1xi1 s ILE 460 Ca -0.10 -0.65 -0.03 0.00 -0.26 0.00 0.00 60.65 59.61 1xi1 s ILE 460 Cb -0.08 -1.05 0.00 0.00 1.25 0.00 0.00 42.46 42.58 1xi1 s ILE 460 CO -0.01 0.36 -0.05 -1.00 0.24 0.00 0.00 174.94 174.48 1xi1 s HIS 461 N -0.17 2.98 0.13 1.37 3.76 0.60 -1.58 115.29 122.38 1xi1 s HIS 461 Ca 0.02 -1.09 0.09 0.00 -0.15 0.00 0.00 55.06 53.93 1xi1 s HIS 461 Cb -0.08 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 1xi1 s HIS 461 CO 0.00 -0.60 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.60 1xi1 s LEU 462 N 1.44 2.65 0.70 0.89 1.43 -0.10 -0.03 118.68 125.66 1xi1 s LEU 462 Ca 0.05 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1xi1 s LEU 462 Cb -0.15 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1xi1 s LEU 462 CO -0.04 0.17 1.07 0.42 0.23 0.00 0.00 176.35 178.20 1xi1 s THR 463 N -1.24 3.83 0.00 5.49 -4.23 0.35 0.06 115.64 119.90 1xi1 s THR 463 Ca 0.18 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 1xi1 s THR 463 Cb -0.10 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.26 1xi1 s THR 463 CO 0.10 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 1xi1 n GLY 464 N -2.51 -0.73 0.00 3.99 0.00 -0.48 -4.65 105.19 100.81 1xi1 n GLY 464 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1xi1 n GLY 464 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xi1 n THR 465 N -0.79 0.23 -3.86 2.61 -2.24 -1.26 -2.88 114.28 106.08 1xi1 n THR 465 Ca 0.00 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 1xi1 n THR 465 Cb 0.00 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.26 1xi1 n THR 465 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xi1 s GLU 466 N -0.23 3.81 -0.23 -0.78 0.41 -1.26 -4.99 118.70 115.43 1xi1 s GLU 466 Ca 0.00 -0.41 -0.38 0.00 -0.41 0.00 0.00 54.97 53.77 1xi1 s GLU 466 Cb 0.00 -3.31 -0.14 0.00 -1.78 0.00 0.00 34.13 28.91 1xi1 s GLU 466 CO 0.00 -0.00 1.85 -0.89 -0.49 0.00 0.00 175.26 175.73 1xi1 n ILE 467 N 4.37 0.38 -1.66 -1.63 5.41 -1.26 -4.87 119.36 120.11 1xi1 n ILE 467 Ca -0.16 -0.10 -0.40 0.00 1.00 0.00 0.00 62.75 63.09 1xi1 n ILE 467 Cb 0.52 -1.48 0.02 0.00 -0.71 0.00 0.00 39.64 37.99 1xi1 n ILE 467 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1xi1 n PRO 468 N 6.18 1.49 -0.34 0.38 -0.02 -1.26 -4.86 135.00 136.57 1xi1 n PRO 468 Ca 0.27 0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 62.26 1xi1 n PRO 468 Cb 0.19 -2.24 0.09 0.00 -0.02 0.00 0.00 33.50 31.52 1xi1 n PRO 468 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xi1 h ASP 469 N 1.49 1.10 0.42 2.55 1.82 -1.99 -2.50 116.42 119.31 1xi1 h ASP 469 Ca -0.47 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 1xi1 h ASP 469 Cb 1.32 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.06 1xi1 h ASP 469 CO 0.57 0.85 0.00 -0.37 -1.61 0.00 0.00 179.24 178.67 1xi1 h VAL 470 N 1.25 0.00 -0.10 2.25 -1.51 -1.92 -2.82 116.25 113.40 1xi1 h VAL 470 Ca 0.32 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.61 1xi1 h VAL 470 Cb -0.04 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 1xi1 h VAL 470 CO -0.06 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 178.58 1xi1 n ILE 471 N -2.76 0.46 -0.19 7.19 -5.35 -0.97 -4.69 119.36 113.06 1xi1 n ILE 471 Ca -0.01 -0.73 -0.01 0.00 -0.27 0.00 0.00 62.75 61.73 1xi1 n ILE 471 Cb 0.16 0.85 0.09 0.00 -1.74 0.00 0.00 39.64 39.00 1xi1 n ILE 471 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1xi1 h LYS 472 N 1.30 0.30 0.00 6.28 1.57 -1.21 -0.88 116.57 123.93 1xi1 h LYS 472 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xi1 h LYS 472 Cb 0.45 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1xi1 h LYS 472 CO 0.00 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 178.83 1xi1 n ASP 473 N -5.07 0.00 -0.60 0.86 10.43 -1.26 -2.92 116.55 117.99 1xi1 n ASP 473 Ca 0.08 0.17 0.06 0.00 2.57 0.00 0.00 54.79 57.67 1xi1 n ASP 473 Cb 0.28 -0.33 0.14 0.00 1.84 0.00 0.00 41.12 43.04 1xi1 n ASP 473 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 1xi1 n ILE 474 N -1.33 1.55 -4.65 0.53 -5.35 -0.36 -5.01 119.36 104.73 1xi1 n ILE 474 Ca 0.06 -2.31 -0.33 0.00 -0.27 0.00 0.00 62.75 59.90 1xi1 n ILE 474 Cb 0.13 0.04 -0.13 0.00 -1.74 0.00 0.00 39.64 37.93 1xi1 n ILE 474 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xi1 s VAL 475 N -2.30 3.36 -0.28 7.28 1.01 -1.08 -0.71 120.40 127.69 1xi1 s VAL 475 Ca 0.32 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.51 1xi1 s VAL 475 Cb 0.31 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.36 1xi1 s VAL 475 CO -0.05 0.52 0.82 -0.62 0.00 0.00 0.00 175.10 175.77 1xi1 s ASP 476 N 0.24 -0.67 0.54 3.32 -1.08 0.43 -4.87 116.67 114.58 1xi1 s ASP 476 Ca -0.07 1.25 0.28 0.00 -0.52 0.00 0.00 52.55 53.50 1xi1 s ASP 476 Cb -0.15 1.27 1.54 0.00 -1.46 0.00 0.00 42.92 44.13 1xi1 s ASP 476 CO 0.04 -0.21 2.11 -0.65 0.52 0.00 0.00 175.17 176.98 1xi1 h PRO 477 N 5.01 0.00 0.00 4.34 0.11 -1.95 -3.21 132.00 136.31 1xi1 h PRO 477 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1xi1 h PRO 477 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xi1 h PRO 477 CO 0.08 0.09 -0.04 0.36 -0.21 0.00 0.00 178.00 178.29 1xi1 n LYS 478 N -3.66 4.50 -1.72 1.05 2.85 -1.26 -4.89 118.16 115.03 1xi1 n LYS 478 Ca -0.02 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.81 1xi1 n LYS 478 Cb 0.21 -0.41 -0.02 0.00 -0.65 0.00 0.00 35.03 34.15 1xi1 n LYS 478 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xi1 n LYS 479 N -0.07 2.50 -1.68 -1.58 5.02 -1.26 -4.89 118.16 116.20 1xi1 n LYS 479 Ca 0.00 0.89 -0.43 0.00 -2.02 0.00 0.00 58.31 56.75 1xi1 n LYS 479 Cb 0.00 -2.64 -0.03 0.00 -0.02 0.00 0.00 35.03 32.34 1xi1 n LYS 479 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1xi1 n LEU 480 N 2.27 3.93 0.00 -0.35 7.94 -1.26 -2.09 117.00 127.43 1xi1 n LEU 480 Ca 0.10 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 1xi1 n LEU 480 Cb 0.35 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.79 1xi1 n LEU 480 CO 0.64 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.65 1xi1 n GLY 481 N 4.25 2.04 3.90 -3.96 0.00 -0.04 -4.97 105.19 106.42 1xi1 n GLY 481 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1xi1 n GLY 481 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xi1 s TYR 482 N -2.65 3.54 -0.19 1.61 2.02 -0.89 -4.72 117.35 116.07 1xi1 s TYR 482 Ca 0.00 0.84 -0.24 0.00 -0.37 0.00 0.00 57.07 57.30 1xi1 s TYR 482 Cb 0.00 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.23 1xi1 s TYR 482 CO 0.00 -0.22 0.76 -1.58 -1.57 0.00 0.00 175.55 172.94 1xi1 s TRP 483 N -2.64 3.38 -0.18 2.71 0.52 0.11 -1.12 118.94 121.72 1xi1 s TRP 483 Ca 0.48 1.12 -0.13 0.00 0.02 0.00 0.00 56.10 57.59 1xi1 s TRP 483 Cb -0.10 -2.95 -0.05 0.00 -1.15 0.00 0.00 33.47 29.22 1xi1 s TRP 483 CO 0.42 -0.25 0.25 0.00 0.02 0.00 0.00 176.95 177.39 1xi1 s ALA 484 N 2.20 3.61 -0.21 0.98 0.00 0.96 -0.43 121.76 128.88 1xi1 s ALA 484 Ca 0.34 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 1xi1 s ALA 484 Cb -0.16 -2.36 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1xi1 s ALA 484 CO 0.11 0.05 1.58 -1.58 0.00 0.00 0.00 175.76 175.91 1xi1 s HIS 485 N 0.58 2.17 -0.12 0.00 2.46 -1.26 -0.60 115.29 118.51 1xi1 s HIS 485 Ca 0.14 0.56 0.20 0.00 0.47 0.00 0.00 55.06 56.42 1xi1 s HIS 485 Cb -0.13 -3.94 -0.28 0.00 -0.13 0.00 0.00 32.58 28.10 1xi1 s HIS 485 CO 0.03 -2.88 0.29 -1.91 -2.47 0.00 0.00 174.74 167.80 1xi1 n GLU 486 N 7.52 0.67 -3.66 2.88 2.13 0.15 -4.94 120.64 125.39 1xi1 n GLU 486 Ca 0.18 -0.08 0.01 0.00 0.66 0.00 0.00 57.16 57.94 1xi1 n GLU 486 Cb 0.45 -1.54 -0.00 0.00 0.27 0.00 0.00 31.44 30.62 1xi1 n GLU 486 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1xi1 s SER 487 N -5.10 -0.06 -0.01 4.31 1.04 -1.16 -4.89 113.70 107.83 1xi1 s SER 487 Ca -0.09 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1xi1 s SER 487 Cb 0.10 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1xi1 s SER 487 CO 0.86 -0.36 0.03 -0.89 0.98 0.00 0.00 173.24 173.86 1xi1 s THR 488 N -2.46 0.01 0.16 2.02 2.01 -1.26 -1.21 115.64 114.90 1xi1 s THR 488 Ca 0.15 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.20 1xi1 s THR 488 Cb 0.04 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 1xi1 s THR 488 CO -0.03 -0.02 -0.20 0.72 -0.69 0.00 0.00 174.62 174.39 1xi1 s PHE 489 N -0.06 1.92 0.04 4.92 -0.12 0.05 -2.32 117.98 122.42 1xi1 s PHE 489 Ca -0.01 -0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 56.39 1xi1 s PHE 489 Cb -0.01 -0.98 -0.29 0.00 -0.63 0.00 0.00 43.02 41.12 1xi1 s PHE 489 CO 0.00 0.34 1.00 -0.22 -0.05 0.00 0.00 175.22 176.29 1xi1 h LYS 490 N 3.40 0.28 -3.26 1.99 3.64 -1.24 -1.61 116.57 119.78 1xi1 h LYS 490 Ca -0.44 -0.47 -0.02 0.00 -1.27 0.00 0.00 60.65 58.44 1xi1 h LYS 490 Cb 1.20 0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 33.09 1xi1 h LYS 490 CO 0.48 1.18 0.05 -0.98 -2.27 0.00 0.00 179.45 177.91 1xi1 s ARG 491 N -2.63 1.31 0.22 1.90 1.70 -1.26 0.22 118.95 120.41 1xi1 s ARG 491 Ca -0.07 -0.77 -0.23 0.00 -0.47 0.00 0.00 55.73 54.20 1xi1 s ARG 491 Cb 0.07 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 35.01 1xi1 s ARG 491 CO 0.87 -0.55 0.82 0.00 -1.08 0.00 0.00 175.30 175.36 1xi1 s ALA 492 N -3.84 -1.42 -0.16 7.88 0.00 -0.54 -1.70 121.76 121.98 1xi1 s ALA 492 Ca 0.07 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 1xi1 s ALA 492 Cb -0.01 0.76 0.07 0.00 0.00 0.00 0.00 23.12 23.94 1xi1 s ALA 492 CO -0.06 -1.03 0.35 0.21 0.00 0.00 0.00 175.76 175.22 1xi1 s LYS 493 N -3.63 0.27 -0.25 0.00 2.20 -0.09 -0.71 119.74 117.53 1xi1 s LYS 493 Ca 0.11 0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 56.49 1xi1 s LYS 493 Cb -0.04 0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.35 1xi1 s LYS 493 CO 0.04 -0.22 -0.00 0.71 -0.36 0.00 0.00 175.35 175.52 1xi1 s TYR 494 N 2.03 3.04 -0.14 4.03 1.51 -1.26 -0.90 117.35 125.65 1xi1 s TYR 494 Ca -0.04 -1.00 -0.11 0.00 -1.01 0.00 0.00 57.07 54.90 1xi1 s TYR 494 Cb -0.11 -2.15 -0.24 0.00 -0.11 0.00 0.00 41.96 39.35 1xi1 s TYR 494 CO -0.11 -0.57 0.33 1.28 -1.11 0.00 0.00 175.55 175.37 1xi1 n LEU 495 N 4.81 2.40 0.00 -1.29 4.77 -0.06 0.57 117.00 128.19 1xi1 n LEU 495 Ca -0.17 0.28 -0.06 0.00 -0.03 0.00 0.00 56.01 56.03 1xi1 n LEU 495 Cb 0.49 -1.08 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1xi1 n LEU 495 CO 0.29 0.68 0.64 0.54 -1.33 0.00 0.00 177.39 178.21 1xi1 n ARG 496 N -3.78 0.89 -1.65 3.23 1.74 -1.13 -4.39 116.66 111.57 1xi1 n ARG 496 Ca -0.32 -1.83 -0.46 0.00 -0.77 0.00 0.00 57.85 54.47 1xi1 n ARG 496 Cb 0.94 2.35 -0.03 0.00 -1.02 0.00 0.00 32.46 34.70 1xi1 n ARG 496 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xi1 n GLN 497 N -0.60 1.88 -1.78 5.56 6.02 -1.26 -0.82 117.38 126.39 1xi1 n GLN 497 Ca -0.06 0.67 -0.18 0.00 -0.01 0.00 0.00 57.00 57.43 1xi1 n GLN 497 Cb 0.57 -2.33 -0.06 0.00 1.02 0.00 0.00 30.24 29.44 1xi1 n GLN 497 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1xi1 n LYS 498 N 2.31 -1.54 -3.53 -1.09 5.02 -1.26 -4.90 118.16 113.18 1xi1 n LYS 498 Ca 0.14 0.98 -0.28 0.00 -2.02 0.00 0.00 58.31 57.13 1xi1 n LYS 498 Cb 0.29 -5.40 -0.12 0.00 -0.02 0.00 0.00 35.03 29.78 1xi1 n LYS 498 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xi1 s THR 499 N -2.61 0.70 0.21 -0.18 2.01 0.00 -3.35 115.64 112.43 1xi1 s THR 499 Ca 0.00 -2.43 -0.06 0.00 0.31 0.00 0.00 61.69 59.51 1xi1 s THR 499 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1xi1 s THR 499 CO 0.00 -1.06 0.27 -0.72 -0.69 0.00 0.00 174.62 172.42 1xi1 s TYR 500 N 0.36 0.80 0.01 4.92 -0.85 -0.42 -0.88 117.35 121.29 1xi1 s TYR 500 Ca 0.24 -1.09 0.02 0.00 -0.52 0.00 0.00 57.07 55.72 1xi1 s TYR 500 Cb -0.12 -0.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.97 1xi1 s TYR 500 CO -0.08 -0.77 -0.07 0.96 -1.52 0.00 0.00 175.55 174.07 1xi1 s ILE 501 N -4.09 0.53 0.03 -3.49 -4.36 -0.08 -1.33 121.20 108.41 1xi1 s ILE 501 Ca 0.31 -0.48 -0.03 0.00 -0.26 0.00 0.00 60.65 60.18 1xi1 s ILE 501 Cb 0.04 -0.48 -0.02 0.00 1.25 0.00 0.00 42.46 43.25 1xi1 s ILE 501 CO 0.10 0.01 0.03 -1.10 0.24 0.00 0.00 174.94 174.22 1xi1 s GLN 502 N -0.52 0.51 -0.41 0.37 -0.21 -0.90 -0.91 119.66 117.59 1xi1 s GLN 502 Ca -0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 1xi1 s GLN 502 Cb -0.04 0.19 0.09 0.00 1.00 0.00 0.00 33.01 34.25 1xi1 s GLN 502 CO -0.00 -0.11 0.22 -0.51 -2.12 0.00 0.00 175.29 172.77 1xi1 s ASP 503 N -2.10 5.42 -0.12 5.90 1.01 -0.69 -1.86 116.67 124.24 1xi1 s ASP 503 Ca -0.06 -1.72 -0.17 0.00 0.71 0.00 0.00 52.55 51.31 1xi1 s ASP 503 Cb -0.02 -1.90 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 1xi1 s ASP 503 CO -0.05 -0.53 0.44 -0.63 0.21 0.00 0.00 175.17 174.62 1xi1 s ILE 504 N 1.29 5.20 -0.07 0.77 1.01 0.46 -0.71 121.20 129.15 1xi1 s ILE 504 Ca 0.04 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 1xi1 s ILE 504 Cb -0.23 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 1xi1 s ILE 504 CO -0.01 0.35 1.74 -0.31 0.00 0.00 0.00 174.94 176.70 1xi1 s TYR 505 N 0.53 1.82 0.32 3.97 1.51 -0.98 -1.39 117.35 123.13 1xi1 s TYR 505 Ca 0.24 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.52 1xi1 s TYR 505 Cb -0.15 -3.99 -0.04 0.00 -0.11 0.00 0.00 41.96 37.68 1xi1 s TYR 505 CO 0.09 -4.06 0.16 -1.64 -1.11 0.00 0.00 175.55 168.99 1xi1 s MET 506 N 4.32 2.48 -0.06 -0.62 -1.94 0.99 0.18 119.30 124.65 1xi1 s MET 506 Ca 0.77 -1.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.27 1xi1 s MET 506 Cb -0.34 -2.27 0.02 0.00 2.01 0.00 0.00 34.83 34.26 1xi1 s MET 506 CO 0.32 0.16 0.15 0.21 -0.01 0.00 0.00 175.02 175.85 1xi1 s LYS 507 N -3.85 0.15 -0.93 2.03 2.20 -0.33 0.56 119.74 119.56 1xi1 s LYS 507 Ca 0.37 0.27 -0.24 0.00 -0.36 0.00 0.00 55.97 56.01 1xi1 s LYS 507 Cb -0.04 -0.01 0.05 0.00 -1.51 0.00 0.00 37.83 36.32 1xi1 s LYS 507 CO 0.23 -0.07 1.38 -2.00 -0.36 0.00 0.00 175.35 174.53 1xi1 s GLU 508 N 0.47 3.46 -0.19 4.03 2.56 -1.26 -1.15 118.70 126.62 1xi1 s GLU 508 Ca -0.03 -0.88 -0.00 0.00 0.00 0.00 0.00 54.97 54.05 1xi1 s GLU 508 Cb -0.05 -4.97 0.05 0.00 2.00 0.00 0.00 34.13 31.16 1xi1 s GLU 508 CO -0.02 -2.17 -0.04 0.08 -0.56 0.00 0.00 175.26 172.55 1xi1 s VAL 509 N 5.10 1.16 -0.33 3.70 1.01 -1.00 -4.94 120.40 125.09 1xi1 s VAL 509 Ca 0.42 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 1xi1 s VAL 509 Cb -0.03 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1xi1 s VAL 509 CO -0.02 0.01 0.41 -0.67 0.00 0.00 0.00 175.10 174.83 1xi1 n ASP 510 N 4.84 -6.79 0.00 3.32 -0.08 -1.26 -4.05 116.55 112.53 1xi1 n ASP 510 Ca -0.12 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1xi1 n ASP 510 Cb 0.46 -3.23 0.00 0.00 2.34 0.00 0.00 41.12 40.69 1xi1 n ASP 510 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xi1 n GLY 511 N 0.23 2.15 0.00 0.27 0.00 -1.26 -4.93 105.19 101.65 1xi1 n GLY 511 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1xi1 n GLY 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xi1 n LYS 512 N 0.00 2.06 -3.57 1.61 5.02 -1.26 -5.13 118.16 116.89 1xi1 n LYS 512 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 1xi1 n LYS 512 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1xi1 n LYS 512 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xi1 s LEU 513 N 0.00 4.38 0.00 -0.35 1.43 -1.26 -2.36 118.68 120.52 1xi1 s LEU 513 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1xi1 s LEU 513 Cb 0.00 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.78 1xi1 s LEU 513 CO 0.00 0.26 0.01 0.52 0.23 0.00 0.00 176.35 177.36 1xi1 n VAL 514 N 2.46 0.00 -2.92 -1.59 0.31 -0.30 -4.87 118.33 111.42 1xi1 n VAL 514 Ca -0.14 -1.21 -0.40 0.00 -0.01 0.00 0.00 64.34 62.58 1xi1 n VAL 514 Cb 0.53 0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.66 1xi1 n VAL 514 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1xi1 s GLU 515 N -2.91 4.61 0.40 5.55 8.01 -1.26 -1.19 118.70 131.91 1xi1 s GLU 515 Ca 0.01 1.22 0.01 0.00 0.01 0.00 0.00 54.97 56.22 1xi1 s GLU 515 Cb 0.00 -3.30 -0.01 0.00 -4.31 0.00 0.00 34.13 26.51 1xi1 s GLU 515 CO 0.01 0.45 0.05 0.41 0.01 0.00 0.00 175.26 176.19 1xi1 n GLY 516 N 1.85 3.55 3.78 -1.39 0.00 0.13 -4.61 105.19 108.50 1xi1 n GLY 516 Ca -0.03 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.51 1xi1 n GLY 516 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xi1 s SER 517 N -3.27 4.81 0.61 1.61 1.04 -0.91 -4.46 113.70 113.13 1xi1 s SER 517 Ca 0.07 -0.77 0.31 0.00 0.48 0.00 0.00 55.95 56.03 1xi1 s SER 517 Cb 0.00 -0.70 1.66 0.00 0.10 0.00 0.00 66.02 67.09 1xi1 s SER 517 CO 0.05 -0.41 1.93 -0.65 0.98 0.00 0.00 173.24 175.13 1xi1 h PRO 518 N 1.38 0.00 0.00 4.02 0.11 -1.96 -2.82 132.00 132.73 1xi1 h PRO 518 Ca -0.43 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1xi1 h PRO 518 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1xi1 h PRO 518 CO 0.62 0.00 -1.82 -0.25 -0.21 0.00 0.00 178.00 176.35 1xi1 n ASP 519 N -2.80 1.93 -4.27 -2.05 8.00 -1.26 -4.81 116.55 111.28 1xi1 n ASP 519 Ca -0.02 0.37 -0.44 0.00 0.71 0.00 0.00 54.79 55.40 1xi1 n ASP 519 Cb 0.30 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.54 1xi1 n ASP 519 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xi1 s ASP 520 N -6.84 6.35 0.23 -2.24 -1.08 -1.07 -5.01 116.67 107.02 1xi1 s ASP 520 Ca -0.33 -2.62 -0.12 0.00 -0.52 0.00 0.00 52.55 48.96 1xi1 s ASP 520 Cb 0.10 -2.13 -0.01 0.00 -1.46 0.00 0.00 42.92 39.43 1xi1 s ASP 520 CO 0.47 -0.56 0.43 -0.72 0.52 0.00 0.00 175.17 175.31 1xi1 s TYR 521 N 0.28 0.41 0.00 -5.34 -0.85 -1.23 -2.13 117.35 108.48 1xi1 s TYR 521 Ca 0.16 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 1xi1 s TYR 521 Cb -0.15 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.31 1xi1 s TYR 521 CO -0.06 -0.93 0.00 2.41 -1.52 0.00 0.00 175.55 175.44 1xi1 n THR 522 N -0.35 0.00 -4.49 -3.49 -1.04 0.19 -4.94 114.28 100.15 1xi1 n THR 522 Ca -0.02 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.75 1xi1 n THR 522 Cb 0.62 -0.23 -0.10 0.00 -1.82 0.00 0.00 70.33 68.80 1xi1 n THR 522 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1xi1 s ASP 523 N -3.32 3.42 -0.49 8.00 1.01 -0.98 -4.98 116.67 119.33 1xi1 s ASP 523 Ca 0.00 -1.16 0.03 0.00 0.71 0.00 0.00 52.55 52.13 1xi1 s ASP 523 Cb 0.00 -0.29 0.14 0.00 1.01 0.00 0.00 42.92 43.78 1xi1 s ASP 523 CO 0.00 -0.19 0.27 -0.63 0.21 0.00 0.00 175.17 174.83 1xi1 s ILE 524 N -2.70 1.90 0.09 0.77 -1.09 -1.26 -0.01 121.20 118.90 1xi1 s ILE 524 Ca 0.31 -2.97 -0.29 0.00 -2.23 0.00 0.00 60.65 55.47 1xi1 s ILE 524 Cb 0.01 -2.31 -0.06 0.00 -1.58 0.00 0.00 42.46 38.52 1xi1 s ILE 524 CO 0.15 -0.89 0.92 -0.75 -1.23 0.00 0.00 174.94 173.14 1xi1 s LYS 525 N -0.04 4.66 -0.21 2.79 2.20 -0.49 -4.78 119.74 123.87 1xi1 s LYS 525 Ca 0.19 1.37 -0.17 0.00 -0.36 0.00 0.00 55.97 57.00 1xi1 s LYS 525 Cb -0.22 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 1xi1 s LYS 525 CO -0.02 0.22 0.46 0.12 -0.36 0.00 0.00 175.35 175.77 1xi1 s PHE 526 N 0.01 3.35 0.00 4.03 5.36 -1.26 -0.40 117.98 129.07 1xi1 s PHE 526 Ca 0.45 0.67 0.04 0.00 -0.96 0.00 0.00 56.93 57.14 1xi1 s PHE 526 Cb -0.23 -2.62 -0.01 0.00 -0.34 0.00 0.00 43.02 39.82 1xi1 s PHE 526 CO 0.28 -0.10 -0.14 -1.54 -1.46 0.00 0.00 175.22 172.26 1xi1 s SER 527 N 1.20 1.66 -0.03 6.13 1.04 -0.78 -5.02 113.70 117.91 1xi1 s SER 527 Ca 0.21 -0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.41 1xi1 s SER 527 Cb -0.15 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 1xi1 s SER 527 CO 0.09 0.14 -0.24 -0.69 0.98 0.00 0.00 173.24 173.52 1xi1 s VAL 528 N -0.45 1.93 -0.20 5.02 1.01 -1.26 -2.11 120.40 124.34 1xi1 s VAL 528 Ca 0.05 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1xi1 s VAL 528 Cb -0.06 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1xi1 s VAL 528 CO -0.00 0.54 -0.10 -0.54 0.00 0.00 0.00 175.10 175.00 1xi1 s LYS 529 N -0.45 1.99 -0.18 2.72 -0.14 -0.44 -5.03 119.74 118.20 1xi1 s LYS 529 Ca 0.06 -0.84 -0.08 0.00 -1.36 0.00 0.00 55.97 53.75 1xi1 s LYS 529 Cb -0.10 -2.40 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 1xi1 s LYS 529 CO 0.00 -0.43 0.41 0.00 -0.76 0.00 0.00 175.35 174.57 1xi1 s ALA 531 N 1.95 3.39 0.00 0.00 0.00 -1.21 -2.24 121.76 123.65 1xi1 s ALA 531 Ca -0.06 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1xi1 s ALA 531 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.14 1xi1 s ALA 531 CO -0.13 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.21 1xi1 n GLY 532 N 4.76 0.72 3.71 0.00 0.00 -1.26 -5.05 105.19 108.08 1xi1 n GLY 532 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1xi1 n GLY 532 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xi1 s MET 533 N -0.66 4.15 0.67 1.61 0.00 -0.95 -5.03 119.30 119.08 1xi1 s MET 533 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 55.69 55.37 1xi1 s MET 533 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 34.83 31.43 1xi1 s MET 533 CO 0.00 0.24 1.00 -0.08 0.00 0.00 0.00 175.02 176.19 1xi1 s THR 534 N 0.52 3.15 -0.06 10.11 -1.32 -1.26 -4.88 115.64 121.90 1xi1 s THR 534 Ca 0.08 0.07 0.30 0.00 -1.21 0.00 0.00 61.69 60.93 1xi1 s THR 534 Cb -0.12 -3.32 0.33 0.00 -1.51 0.00 0.00 72.50 67.89 1xi1 s THR 534 CO -0.00 -0.36 1.91 0.44 -2.21 0.00 0.00 174.62 174.39 1xi1 h ASP 535 N -0.48 0.00 0.10 8.08 3.32 -1.99 -0.12 116.42 125.34 1xi1 h ASP 535 Ca -0.45 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.35 1xi1 h ASP 535 Cb 1.28 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.85 1xi1 h ASP 535 CO 0.62 0.00 -1.02 0.50 -1.72 0.00 0.00 179.24 177.61 1xi1 h LYS 536 N 0.00 0.51 -0.07 3.56 3.64 -1.95 -3.18 116.57 119.09 1xi1 h LYS 536 Ca 0.00 -0.69 -0.24 0.00 -1.27 0.00 0.00 60.65 58.45 1xi1 h LYS 536 Cb 0.36 0.23 0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1xi1 h LYS 536 CO 0.00 1.30 -0.89 0.82 -2.27 0.00 0.00 179.45 178.41 1xi1 h ILE 537 N 0.05 1.29 -0.86 2.00 2.04 -1.79 -3.20 117.51 117.05 1xi1 h ILE 537 Ca -0.16 -2.10 0.16 0.00 1.00 0.00 0.00 64.86 63.76 1xi1 h ILE 537 Cb 1.74 2.23 -0.07 0.00 -0.74 0.00 0.00 36.82 39.98 1xi1 h ILE 537 CO 0.20 0.65 0.56 0.11 0.00 0.00 0.00 178.15 179.67 1xi1 h LYS 538 N 0.41 0.54 -2.09 2.37 1.57 -1.14 -1.72 116.57 116.50 1xi1 h LYS 538 Ca -0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1xi1 h LYS 538 Cb 1.53 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1xi1 h LYS 538 CO 0.18 0.35 -0.09 1.63 -0.57 0.00 0.00 179.45 180.95 1xi1 n LYS 539 N -4.54 1.14 0.00 3.15 5.02 -1.20 -1.46 118.16 120.27 1xi1 n LYS 539 Ca 0.17 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1xi1 n LYS 539 Cb 0.55 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1xi1 n LYS 539 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xi1 n GLU 540 N 2.03 0.00 -3.21 1.97 1.02 -0.65 -5.05 120.64 116.75 1xi1 n GLU 540 Ca 0.15 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 1xi1 n GLU 540 Cb 0.54 -0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.90 1xi1 n GLU 540 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xi1 s VAL 541 N 0.00 4.90 0.07 2.62 1.01 -0.54 -4.96 120.40 123.50 1xi1 s VAL 541 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.24 1xi1 s VAL 541 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1xi1 s VAL 541 CO 0.00 0.42 -0.05 0.42 0.00 0.00 0.00 175.10 175.89 1xi1 s THR 542 N -0.24 0.47 0.15 3.92 -4.23 -1.26 -4.96 115.64 109.49 1xi1 s THR 542 Ca 0.31 -1.64 0.26 0.00 -1.18 0.00 0.00 61.69 59.44 1xi1 s THR 542 Cb -0.18 -1.29 0.26 0.00 1.34 0.00 0.00 72.50 72.62 1xi1 s THR 542 CO 0.17 -0.78 1.78 -0.26 -0.54 0.00 0.00 174.62 174.99 1xi1 h PHE 543 N 3.47 0.00 0.00 3.99 -1.00 -1.97 0.54 116.94 121.97 1xi1 h PHE 543 Ca -0.35 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.39 1xi1 h PHE 543 Cb 1.17 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 1xi1 h PHE 543 CO 0.59 0.00 -1.94 0.39 -1.61 0.00 0.00 178.31 175.74 1xi1 n GLU 544 N -2.48 0.64 0.01 1.51 4.71 -1.26 -4.48 120.64 119.30 1xi1 n GLU 544 Ca -0.02 -0.16 -0.21 0.00 -0.01 0.00 0.00 57.16 56.76 1xi1 n GLU 544 Cb 0.15 -1.47 -0.14 0.00 -1.01 0.00 0.00 31.44 28.97 1xi1 n GLU 544 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1xi1 h ASN 545 N 0.00 0.38 -1.67 1.62 -0.73 -1.17 -3.45 115.58 110.56 1xi1 h ASN 545 Ca -0.06 -0.87 -0.47 0.00 1.87 0.00 0.00 56.30 56.78 1xi1 h ASN 545 Cb 1.05 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.52 1xi1 h ASN 545 CO 0.00 1.54 1.58 0.12 -0.37 0.00 0.00 177.43 180.30 1xi1 s PHE 546 N -2.45 1.17 0.01 0.67 5.36 0.16 -4.80 117.98 118.11 1xi1 s PHE 546 Ca -0.19 1.44 -0.28 0.00 -0.96 0.00 0.00 56.93 56.94 1xi1 s PHE 546 Cb 0.03 -3.67 0.10 0.00 -0.34 0.00 0.00 43.02 39.14 1xi1 s PHE 546 CO 0.77 -2.48 0.88 -1.59 -1.46 0.00 0.00 175.22 171.34 1xi1 s LYS 547 N 8.07 0.87 0.23 10.12 -2.85 -1.26 -4.97 119.74 129.94 1xi1 s LYS 547 Ca 0.92 -0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 55.24 1xi1 s LYS 547 Cb -0.16 0.39 -0.14 0.00 -2.06 0.00 0.00 37.83 35.86 1xi1 s LYS 547 CO 0.25 -0.38 1.39 0.28 0.10 0.00 0.00 175.35 176.99 1xi1 n VAL 548 N -0.27 0.91 0.00 1.79 0.31 -1.26 -1.63 118.33 118.18 1xi1 n VAL 548 Ca -0.09 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1xi1 n VAL 548 Cb 0.62 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1xi1 n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xi1 n GLY 549 N 2.19 2.34 3.62 2.92 0.00 0.44 -5.00 105.19 111.71 1xi1 n GLY 549 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 1xi1 n GLY 549 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xi1 n PHE 550 N -0.54 1.77 -3.78 1.61 7.35 -0.65 -4.63 117.46 118.59 1xi1 n PHE 550 Ca 0.00 0.52 -0.10 0.00 -0.76 0.00 0.00 57.45 57.11 1xi1 n PHE 550 Cb 0.00 -2.40 -0.05 0.00 0.35 0.00 0.00 39.48 37.38 1xi1 n PHE 550 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1xi1 s SER 551 N 0.49 -0.16 -0.29 -2.13 1.04 -1.26 0.08 113.70 111.48 1xi1 s SER 551 Ca 0.79 -0.56 -0.23 0.00 0.48 0.00 0.00 55.95 56.42 1xi1 s SER 551 Cb -0.82 0.51 0.15 0.00 0.10 0.00 0.00 66.02 65.96 1xi1 s SER 551 CO 0.46 -0.95 1.17 -0.60 0.98 0.00 0.00 173.24 174.29 1xi1 s ARG 552 N -3.88 0.33 -1.30 4.02 3.52 -0.24 -4.96 118.95 116.42 1xi1 s ARG 552 Ca 0.10 0.42 -0.10 0.00 -0.13 0.00 0.00 55.73 56.01 1xi1 s ARG 552 Cb 0.01 0.14 0.15 0.00 -1.56 0.00 0.00 34.95 33.69 1xi1 s ARG 552 CO -0.04 -0.04 1.90 1.63 -0.81 0.00 0.00 175.30 177.94 1xi1 n LYS 553 N 2.25 3.48 0.00 5.12 5.02 -1.26 -1.19 118.16 131.57 1xi1 n LYS 553 Ca -0.13 -3.40 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1xi1 n LYS 553 Cb 0.56 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 1xi1 n LYS 553 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1xi1 n MET 554 N 4.40 0.22 -3.10 1.97 2.81 -1.26 -4.76 117.12 117.41 1xi1 n MET 554 Ca 0.42 -0.51 -0.44 0.00 -1.81 0.00 0.00 57.70 55.36 1xi1 n MET 554 Cb 0.37 -0.54 -0.06 0.00 -0.71 0.00 0.00 33.22 32.28 1xi1 n MET 554 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1xi1 s LYS 555 N -0.08 3.16 0.41 0.03 2.20 -1.13 -4.88 119.74 119.45 1xi1 s LYS 555 Ca 0.00 -0.80 -0.25 0.00 -0.36 0.00 0.00 55.97 54.56 1xi1 s LYS 555 Cb 0.00 -4.10 -0.08 0.00 -1.51 0.00 0.00 37.83 32.14 1xi1 s LYS 555 CO 0.00 -1.29 1.22 -2.14 -0.36 0.00 0.00 175.35 172.79 1xi1 s PRO 556 N 2.88 3.95 -0.07 4.03 0.02 -1.25 0.60 135.00 145.15 1xi1 s PRO 556 Ca 0.18 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 1xi1 s PRO 556 Cb -0.18 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.70 1xi1 s PRO 556 CO 0.13 -0.44 0.18 0.21 -0.33 0.00 0.00 177.00 176.75 1xi1 s LYS 557 N -2.34 0.20 0.50 5.54 2.20 0.28 -4.86 119.74 121.26 1xi1 s LYS 557 Ca 0.58 0.28 -0.23 0.00 -0.36 0.00 0.00 55.97 56.24 1xi1 s LYS 557 Cb -0.33 0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 35.99 1xi1 s LYS 557 CO 0.42 -0.05 1.34 -2.14 -0.36 0.00 0.00 175.35 174.56 1xi1 s PRO 558 N 0.26 3.44 -0.09 4.03 0.02 -1.26 -1.21 135.00 140.18 1xi1 s PRO 558 Ca -0.01 2.20 -0.04 0.00 0.02 0.00 0.00 61.00 63.17 1xi1 s PRO 558 Cb -0.03 -2.42 0.05 0.00 0.02 0.00 0.00 34.50 32.12 1xi1 s PRO 558 CO -0.01 -0.94 0.19 0.08 -0.33 0.00 0.00 177.00 175.99 1xi1 s VAL 559 N -1.31 -0.25 -0.11 3.83 1.01 -0.27 -4.90 120.40 118.40 1xi1 s VAL 559 Ca 0.66 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.65 1xi1 s VAL 559 Cb -0.39 -0.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1xi1 s VAL 559 CO 0.48 0.13 1.36 -1.10 0.00 0.00 0.00 175.10 175.96 1xi1 s GLN 560 N 2.10 4.24 0.28 2.72 -1.52 -1.26 -2.06 119.66 124.15 1xi1 s GLN 560 Ca 0.00 1.81 0.03 0.00 -1.95 0.00 0.00 55.36 55.25 1xi1 s GLN 560 Cb -0.12 -3.76 -0.06 0.00 -0.22 0.00 0.00 33.01 28.85 1xi1 s GLN 560 CO -0.07 -0.69 0.06 0.14 -0.25 0.00 0.00 175.29 174.49 1xi1 s VAL 561 N 3.33 0.88 0.09 1.09 -7.23 0.64 -4.85 120.40 114.34 1xi1 s VAL 561 Ca 0.60 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1xi1 s VAL 561 Cb -0.26 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1xi1 s VAL 561 CO 0.20 -0.07 1.30 1.55 -0.31 0.00 0.00 175.10 177.77 1xi1 h PRO 562 N 2.31 -0.04 -0.72 4.82 0.13 -1.79 -2.14 132.00 134.58 1xi1 h PRO 562 Ca -0.39 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.83 1xi1 h PRO 562 Cb 1.24 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1xi1 h PRO 562 CO 0.65 -0.02 0.36 0.78 -0.23 0.00 0.00 178.00 179.53 1xi1 h GLY 563 N -0.04 1.08 0.00 1.56 0.00 -1.82 -3.38 103.07 100.47 1xi1 h GLY 563 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xi1 h GLY 563 CO -0.49 0.06 0.00 0.61 0.00 0.00 0.00 176.54 176.72 1xi1 n GLY 564 N -1.30 -0.42 3.43 4.60 0.00 -0.80 -4.55 105.19 106.14 1xi1 n GLY 564 Ca 0.11 0.57 -0.31 0.00 0.00 0.00 0.00 46.02 46.39 1xi1 n GLY 564 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xi1 s VAL 565 N 0.00 2.62 0.04 1.61 1.01 -1.26 -0.26 120.40 124.16 1xi1 s VAL 565 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1xi1 s VAL 565 Cb 0.00 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1xi1 s VAL 565 CO 0.00 0.36 -0.08 -0.69 0.00 0.00 0.00 175.10 174.68 1xi1 s VAL 566 N -0.88 0.61 -0.19 2.92 1.01 -0.88 -4.94 120.40 118.05 1xi1 s VAL 566 Ca 0.14 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 1xi1 s VAL 566 Cb -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 1xi1 s VAL 566 CO 0.04 -0.30 0.23 -0.76 0.00 0.00 0.00 175.10 174.31 1xi1 s LEU 567 N -1.44 4.21 0.24 3.92 1.43 -1.26 -1.11 118.68 124.67 1xi1 s LEU 567 Ca -0.08 0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1xi1 s LEU 567 Cb -0.09 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1xi1 s LEU 567 CO 0.01 0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 175.81 1xi1 s VAL 568 N 0.56 2.23 -0.06 -1.59 1.01 -0.35 -4.84 120.40 117.35 1xi1 s VAL 568 Ca 0.13 -2.25 -0.24 0.00 0.00 0.00 0.00 61.98 59.62 1xi1 s VAL 568 Cb -0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1xi1 s VAL 568 CO 0.02 -0.38 0.72 -1.81 0.00 0.00 0.00 175.10 173.65 1xi1 s ASP 569 N -3.23 7.01 -0.00 3.32 1.01 -1.26 0.99 116.67 124.51 1xi1 s ASP 569 Ca 0.25 1.22 0.05 0.00 0.71 0.00 0.00 52.55 54.78 1xi1 s ASP 569 Cb -0.05 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 1xi1 s ASP 569 CO 0.11 -0.13 -0.16 -0.62 0.21 0.00 0.00 175.17 174.59 1xi1 s ASP 570 N 0.82 1.86 0.01 0.27 -1.08 0.20 -4.91 116.67 113.84 1xi1 s ASP 570 Ca 0.38 -0.32 -0.30 0.00 -0.52 0.00 0.00 52.55 51.79 1xi1 s ASP 570 Cb -0.18 -0.19 -0.09 0.00 -1.46 0.00 0.00 42.92 41.00 1xi1 s ASP 570 CO 0.19 0.17 2.00 0.41 0.52 0.00 0.00 175.17 178.46 1xi1 n THR 571 N 2.54 0.73 -3.64 1.71 -1.04 -1.26 -2.86 114.28 110.46 1xi1 n THR 571 Ca -0.15 -0.17 -0.36 0.00 -2.04 0.00 0.00 64.05 61.33 1xi1 n THR 571 Cb 0.55 -2.33 -0.07 0.00 -1.82 0.00 0.00 70.33 66.65 1xi1 n THR 571 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1xi1 s PHE 572 N 4.80 3.46 -0.01 -1.42 5.36 -0.33 -4.90 117.98 124.94 1xi1 s PHE 572 Ca 0.90 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 1xi1 s PHE 572 Cb -0.43 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 1xi1 s PHE 572 CO 0.42 0.31 -0.02 0.99 -1.46 0.00 0.00 175.22 175.46 1xi1 s THR 573 N 0.27 0.24 -0.56 0.12 2.01 -1.26 -1.08 115.64 115.37 1xi1 s THR 573 Ca 0.13 -0.06 -0.24 0.00 0.31 0.00 0.00 61.69 61.83 1xi1 s THR 573 Cb -0.12 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.18 1xi1 s THR 573 CO 0.02 0.11 0.97 -0.63 -0.69 0.00 0.00 174.62 174.39 1xi1 s ILE 574 N 0.37 4.34 -1.37 1.82 1.01 0.11 -4.97 121.20 122.52 1xi1 s ILE 574 Ca -0.04 0.29 0.11 0.00 0.00 0.00 0.00 60.65 61.02 1xi1 s ILE 574 Cb -0.06 -4.57 0.09 0.00 0.01 0.00 0.00 42.46 37.92 1xi1 s ILE 574 CO -0.01 -1.16 0.85 2.29 0.00 0.00 0.00 174.94 176.91