#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi0 s TYR 5 N 0.00 2.67 -0.12 0.66 1.51 -1.02 -4.73 117.35 116.32 1xi0 s TYR 5 Ca 0.00 -0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1xi0 s TYR 5 Cb 0.00 -1.22 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 1xi0 s TYR 5 CO 0.00 0.59 0.27 0.45 -1.11 0.00 0.00 175.55 175.75 1xi0 s SER 6 N -3.39 -0.11 -0.21 2.29 0.15 0.29 -1.24 113.70 111.48 1xi0 s SER 6 Ca 0.29 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.55 1xi0 s SER 6 Cb -0.07 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1xi0 s SER 6 CO 0.18 -0.19 -0.16 -0.63 1.20 0.00 0.00 173.24 173.65 1xi0 s ILE 7 N 1.65 2.04 -0.17 6.45 1.01 -0.60 0.77 121.20 132.35 1xi0 s ILE 7 Ca -0.06 -1.19 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 1xi0 s ILE 7 Cb -0.11 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1xi0 s ILE 7 CO -0.09 0.30 0.04 -0.89 0.00 0.00 0.00 174.94 174.30 1xi0 s THR 8 N 1.24 4.59 0.00 2.92 2.01 -0.53 0.18 115.64 126.05 1xi0 s THR 8 Ca -0.01 -0.11 0.07 0.00 0.31 0.00 0.00 61.69 61.96 1xi0 s THR 8 Cb -0.16 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1xi0 s THR 8 CO -0.10 0.48 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.33 1xi0 s LEU 9 N 0.25 2.09 -0.05 4.42 1.43 0.55 -1.01 118.68 126.36 1xi0 s LEU 9 Ca 0.02 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1xi0 s LEU 9 Cb -0.13 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 1xi0 s LEU 9 CO 0.01 0.25 -0.18 -0.13 0.23 0.00 0.00 176.35 176.52 1xi0 s ARG 10 N -0.75 1.91 -0.18 1.70 0.52 -1.08 0.50 118.95 121.57 1xi0 s ARG 10 Ca 0.09 -0.66 -0.07 0.00 -0.52 0.00 0.00 55.73 54.56 1xi0 s ARG 10 Cb -0.09 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 1xi0 s ARG 10 CO 0.00 0.27 0.07 0.08 0.02 0.00 0.00 175.30 175.74 1xi0 s VAL 11 N -0.00 4.87 -0.33 3.52 1.01 -1.26 -1.53 120.40 126.68 1xi0 s VAL 11 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1xi0 s VAL 11 Cb -0.12 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1xi0 s VAL 11 CO 0.02 0.47 0.04 -0.31 0.00 0.00 0.00 175.10 175.33 1xi0 s TYR 12 N 0.24 3.43 -0.52 5.22 1.51 0.52 -4.97 117.35 122.79 1xi0 s TYR 12 Ca 0.04 -2.27 -0.17 0.00 -1.01 0.00 0.00 57.07 53.66 1xi0 s TYR 12 Cb -0.12 -2.50 0.08 0.00 -0.11 0.00 0.00 41.96 39.31 1xi0 s TYR 12 CO 0.00 -0.88 0.55 -0.65 -1.11 0.00 0.00 175.55 173.46 1xi0 s GLN 13 N 1.14 3.04 0.06 -0.62 -0.21 -1.26 -0.76 119.66 121.06 1xi0 s GLN 13 Ca 0.00 -1.23 0.23 0.00 0.02 0.00 0.00 55.36 54.38 1xi0 s GLN 13 Cb -0.20 -4.17 0.07 0.00 1.00 0.00 0.00 33.01 29.70 1xi0 s GLN 13 CO -0.04 -1.23 1.04 0.25 -2.12 0.00 0.00 175.29 173.20 1xi0 n THR 14 N 5.42 0.20 -3.97 -0.19 -2.24 -0.41 -4.88 114.28 108.21 1xi0 n THR 14 Ca -0.10 -0.26 -0.30 0.00 -2.27 0.00 0.00 64.05 61.11 1xi0 n THR 14 Cb 0.44 0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.66 1xi0 n THR 14 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xi0 s ASN 15 N -4.02 3.70 0.44 3.42 3.84 -1.25 -4.98 114.94 116.09 1xi0 s ASN 15 Ca 0.04 -1.07 0.18 0.00 0.21 0.00 0.00 52.86 52.21 1xi0 s ASN 15 Cb 0.14 -1.23 1.11 0.00 -0.55 0.00 0.00 41.25 40.72 1xi0 s ASN 15 CO 0.80 -0.19 1.92 0.03 -2.79 0.00 0.00 177.10 176.86 1xi0 h ARG 16 N 7.95 0.34 0.00 0.43 -0.00 -1.90 -1.77 114.38 119.43 1xi0 h ARG 16 Ca -0.22 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.24 1xi0 h ARG 16 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.97 1xi0 h ARG 16 CO 0.44 0.22 0.00 -0.44 0.00 0.00 0.00 179.97 180.20 1xi0 h ASP 17 N 0.35 0.00 0.24 7.04 3.32 -2.01 -1.97 116.42 123.39 1xi0 h ASP 17 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1xi0 h ASP 17 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1xi0 h ASP 17 CO -0.11 0.00 -0.23 0.54 -1.72 0.00 0.00 179.24 177.72 1xi0 n ARG 18 N -2.34 0.85 0.00 3.56 5.12 -0.67 -5.05 116.66 118.14 1xi0 n ARG 18 Ca -0.00 -0.48 0.00 0.00 -1.93 0.00 0.00 57.85 55.44 1xi0 n ARG 18 Cb 0.12 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1xi0 n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xi0 n GLY 19 N 1.33 -2.05 3.31 -0.13 0.00 -0.74 -4.70 105.19 102.21 1xi0 n GLY 19 Ca 0.13 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1xi0 n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xi0 s TYR 20 N -0.09 2.67 -0.05 1.61 5.04 -1.26 -4.78 117.35 120.49 1xi0 s TYR 20 Ca 0.00 -0.77 -0.09 0.00 -2.44 0.00 0.00 57.07 53.77 1xi0 s TYR 20 Cb 0.00 -1.75 -0.05 0.00 0.35 0.00 0.00 41.96 40.51 1xi0 s TYR 20 CO 0.00 -0.26 0.26 -0.06 -1.34 0.00 0.00 175.55 174.15 1xi0 s PHE 21 N 0.21 3.64 0.02 4.97 0.40 -1.26 -0.93 117.98 125.02 1xi0 s PHE 21 Ca -0.12 0.69 0.01 0.00 -0.60 0.00 0.00 56.93 56.91 1xi0 s PHE 21 Cb -0.16 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.29 1xi0 s PHE 21 CO 0.06 0.68 -0.04 -1.54 0.70 0.00 0.00 175.22 175.08 1xi0 s SER 22 N -1.22 0.38 0.18 1.36 1.04 -0.74 -4.93 113.70 109.78 1xi0 s SER 22 Ca 0.21 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 1xi0 s SER 22 Cb -0.14 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.92 1xi0 s SER 22 CO 0.10 -0.13 1.37 -0.63 0.98 0.00 0.00 173.24 174.93 1xi0 s ILE 23 N -0.81 3.12 0.00 -1.02 1.01 -1.26 -0.82 121.20 121.42 1xi0 s ILE 23 Ca -0.07 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.46 1xi0 s ILE 23 Cb -0.06 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.85 1xi0 s ILE 23 CO -0.00 0.11 0.40 1.33 0.00 0.00 0.00 174.94 176.78 1xi0 n VAL 24 N 3.04 0.00 -3.58 2.92 0.24 0.66 -4.90 118.33 116.71 1xi0 n VAL 24 Ca 0.08 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.77 1xi0 n VAL 24 Cb 0.42 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 1xi0 n VAL 24 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xi0 s GLU 25 N -0.16 0.76 -0.27 7.34 2.12 -1.23 -4.99 118.70 122.27 1xi0 s GLU 25 Ca 0.00 0.43 -0.04 0.00 0.36 0.00 0.00 54.97 55.72 1xi0 s GLU 25 Cb 0.00 0.36 0.10 0.00 0.26 0.00 0.00 34.13 34.85 1xi0 s GLU 25 CO 0.00 -0.19 0.15 0.15 -0.54 0.00 0.00 175.26 174.83 1xi0 s LYS 26 N -0.58 0.19 0.21 4.30 1.02 -1.26 -2.23 119.74 121.39 1xi0 s LYS 26 Ca -0.03 -0.39 0.07 0.00 0.02 0.00 0.00 55.97 55.64 1xi0 s LYS 26 Cb -0.02 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 36.06 1xi0 s LYS 26 CO 0.02 -0.96 0.09 0.95 -0.92 0.00 0.00 175.35 174.54 1xi0 s THR 27 N 2.15 4.10 -0.07 2.17 -4.23 -0.85 -4.99 115.64 113.92 1xi0 s THR 27 Ca 0.08 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1xi0 s THR 27 Cb -0.16 -3.14 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1xi0 s THR 27 CO -0.32 -0.22 -0.06 -0.69 -0.54 0.00 0.00 174.62 172.79 1xi0 s VAL 28 N -1.95 0.75 0.32 2.29 1.01 -1.26 -2.31 120.40 119.26 1xi0 s VAL 28 Ca 0.31 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1xi0 s VAL 28 Cb -0.09 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 1xi0 s VAL 28 CO 0.22 0.30 1.08 0.86 0.00 0.00 0.00 175.10 177.56 1xi0 s TRP 29 N 1.29 3.46 -2.00 5.22 -0.00 -0.11 -4.94 118.94 121.86 1xi0 s TRP 29 Ca -0.04 1.68 0.21 0.00 -0.00 0.00 0.00 56.10 57.95 1xi0 s TRP 29 Cb -0.14 -3.23 1.24 0.00 -0.00 0.00 0.00 33.47 31.34 1xi0 s TRP 29 CO -0.02 -0.58 1.74 -2.39 -0.00 0.00 0.00 176.95 175.70 1xi0 n HIS 30 N 0.72 0.00 -1.82 5.86 1.44 -1.26 -4.25 115.22 115.92 1xi0 n HIS 30 Ca 0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.43 1xi0 n HIS 30 Cb 0.46 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.67 1xi0 n HIS 30 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xi0 s PHE 31 N -2.00 2.93 -0.98 -1.40 2.99 -1.26 -3.63 117.98 114.63 1xi0 s PHE 31 Ca 0.31 0.83 -0.01 0.00 0.00 0.00 0.00 56.93 58.06 1xi0 s PHE 31 Cb 0.14 -3.40 0.01 0.00 0.00 0.00 0.00 43.02 39.78 1xi0 s PHE 31 CO 0.24 -1.78 0.06 0.00 -0.00 0.00 0.00 175.22 173.74 1xi0 n ALA 32 N -3.35 -0.83 -2.42 5.36 0.00 -1.26 -1.22 120.51 116.79 1xi0 n ALA 32 Ca 0.08 0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1xi0 n ALA 32 Cb 0.60 -1.56 0.01 0.00 0.00 0.00 0.00 19.45 18.49 1xi0 n ALA 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xi0 n ASN 33 N -1.83 -2.48 0.00 0.00 4.05 -1.26 -2.66 115.26 111.08 1xi0 n ASN 33 Ca -0.12 -0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.85 1xi0 n ASN 33 Cb 0.59 -1.43 0.00 0.00 1.23 0.00 0.00 39.78 40.17 1xi0 n ASN 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xi0 n GLY 34 N -0.91 1.50 0.00 8.20 0.00 -0.36 -4.20 105.19 109.43 1xi0 n GLY 34 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1xi0 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi0 n GLY 35 N 0.00 -1.44 3.20 -0.02 0.00 -1.26 -0.79 105.19 104.87 1xi0 n GLY 35 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1xi0 n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xi0 s THR 36 N -2.89 0.12 -0.09 2.61 -4.23 0.15 -4.95 115.64 106.35 1xi0 s THR 36 Ca 0.00 -0.97 -0.05 0.00 -1.18 0.00 0.00 61.69 59.50 1xi0 s THR 36 Cb 0.00 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 1xi0 s THR 36 CO 0.00 -0.53 0.10 0.26 -0.54 0.00 0.00 174.62 173.90 1xi0 s TRP 37 N -3.00 3.44 0.07 3.99 0.52 -1.26 -1.10 118.94 121.59 1xi0 s TRP 37 Ca -0.02 0.39 -0.06 0.00 0.02 0.00 0.00 56.10 56.44 1xi0 s TRP 37 Cb 0.01 -1.87 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1xi0 s TRP 37 CO -0.06 0.64 0.10 0.45 0.02 0.00 0.00 176.95 178.09 1xi0 s SER 38 N -1.12 0.26 0.03 2.95 0.15 0.29 -4.98 113.70 111.28 1xi0 s SER 38 Ca 0.16 -0.76 -0.00 0.00 0.70 0.00 0.00 55.95 56.05 1xi0 s SER 38 Cb -0.12 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1xi0 s SER 38 CO 0.06 -0.66 -0.03 -0.70 1.20 0.00 0.00 173.24 173.11 1xi0 s GLU 39 N -3.74 0.37 -0.28 5.44 2.12 -1.26 0.35 118.70 121.71 1xi0 s GLU 39 Ca 0.05 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 54.46 1xi0 s GLU 39 Cb 0.05 0.11 0.12 0.00 0.26 0.00 0.00 34.13 34.67 1xi0 s GLU 39 CO -0.10 -0.06 0.90 0.00 -0.54 0.00 0.00 175.26 175.47 1xi0 s ALA 40 N -1.88 -2.06 -1.56 6.30 0.00 -0.44 -4.95 121.76 117.17 1xi0 s ALA 40 Ca -0.12 2.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.87 1xi0 s ALA 40 Cb -0.07 -1.53 0.10 0.00 0.00 0.00 0.00 23.12 21.62 1xi0 s ALA 40 CO -0.02 -0.33 0.84 0.27 0.00 0.00 0.00 175.76 176.52 1xi0 n ASN 41 N 3.37 -3.59 0.00 0.00 6.94 -1.26 0.05 115.26 120.76 1xi0 n ASN 41 Ca -0.17 -0.88 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1xi0 n ASN 41 Cb 0.57 -3.43 0.00 0.00 -2.36 0.00 0.00 39.78 34.56 1xi0 n ASN 41 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xi0 n GLY 42 N -1.62 0.47 3.46 4.83 0.00 -1.26 -4.99 105.19 106.09 1xi0 n GLY 42 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1xi0 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xi0 s ALA 43 N -2.30 3.18 -0.18 4.61 0.00 0.11 -4.41 121.76 122.77 1xi0 s ALA 43 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1xi0 s ALA 43 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1xi0 s ALA 43 CO 0.00 -0.46 0.63 -1.01 0.00 0.00 0.00 175.76 174.91 1xi0 s HIS 44 N 1.57 3.40 -0.10 0.00 3.76 0.18 -1.33 115.29 122.77 1xi0 s HIS 44 Ca 0.06 0.95 0.03 0.00 -0.15 0.00 0.00 55.06 55.95 1xi0 s HIS 44 Cb -0.15 -2.79 -0.01 0.00 1.11 0.00 0.00 32.58 30.74 1xi0 s HIS 44 CO 0.04 -0.14 -0.21 0.99 -0.85 0.00 0.00 174.74 174.58 1xi0 s THR 45 N 1.77 2.40 -0.38 1.30 2.01 0.16 0.21 115.64 123.10 1xi0 s THR 45 Ca 0.29 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 1xi0 s THR 45 Cb -0.16 -1.94 0.06 0.00 0.01 0.00 0.00 72.50 70.47 1xi0 s THR 45 CO 0.11 0.55 0.19 -0.22 -0.69 0.00 0.00 174.62 174.56 1xi0 s LEU 46 N 0.17 4.78 -0.25 4.42 2.96 0.13 -0.54 118.68 130.35 1xi0 s LEU 46 Ca -0.12 -1.35 -0.17 0.00 -0.22 0.00 0.00 54.13 52.27 1xi0 s LEU 46 Cb -0.16 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 1xi0 s LEU 46 CO 0.06 -0.44 0.48 -0.89 -1.32 0.00 0.00 176.35 174.24 1xi0 s THR 47 N 1.41 5.11 -0.07 3.68 2.01 -0.26 -1.55 115.64 125.96 1xi0 s THR 47 Ca 0.01 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.83 1xi0 s THR 47 Cb -0.21 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 1xi0 s THR 47 CO 0.02 0.13 -0.06 -1.10 -0.69 0.00 0.00 174.62 172.93 1xi0 s GLN 48 N 2.05 2.81 0.00 4.92 -0.21 -0.37 -0.68 119.66 128.18 1xi0 s GLN 48 Ca 0.20 -0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.08 1xi0 s GLN 48 Cb -0.16 -2.63 0.16 0.00 1.00 0.00 0.00 33.01 31.38 1xi0 s GLN 48 CO 0.09 0.66 0.66 0.41 -2.12 0.00 0.00 175.29 174.99 1xi0 n GLY 49 N 2.25 -0.52 0.00 3.09 0.00 0.03 -1.71 105.19 108.32 1xi0 n GLY 49 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xi0 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi0 n GLY 50 N 0.03 0.55 3.71 -0.02 0.00 -1.09 -4.36 105.19 104.01 1xi0 n GLY 50 Ca 0.02 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1xi0 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xi0 s SER 51 N 0.00 7.18 0.00 1.61 0.15 -1.26 -4.16 113.70 117.22 1xi0 s SER 51 Ca 0.00 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1xi0 s SER 51 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1xi0 s SER 51 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1xi0 n GLY 52 N 3.02 1.54 0.98 9.45 0.00 0.24 -4.77 105.19 115.65 1xi0 n GLY 52 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 1xi0 n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xi0 n THR 53 N 0.00 0.00 -3.84 2.61 5.66 -1.22 -4.30 114.28 113.18 1xi0 n THR 53 Ca 0.00 -0.73 -0.06 0.00 -3.05 0.00 0.00 64.05 60.21 1xi0 n THR 53 Cb 0.00 0.34 0.02 0.00 -1.55 0.00 0.00 70.33 69.14 1xi0 n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1xi0 s SER 54 N -1.71 0.02 0.06 1.09 1.04 -1.26 -2.71 113.70 110.22 1xi0 s SER 54 Ca 0.11 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.49 1xi0 s SER 54 Cb 0.01 0.70 -0.00 0.00 0.10 0.00 0.00 66.02 66.82 1xi0 s SER 54 CO 0.07 -1.40 0.16 -0.83 0.98 0.00 0.00 173.24 172.23 1xi0 s GLY 55 N -3.24 0.10 0.01 7.32 0.00 -0.07 -0.93 107.32 110.51 1xi0 s GLY 55 Ca 0.19 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.45 1xi0 s GLY 55 CO 0.09 -0.66 -0.11 0.14 0.00 0.00 0.00 173.10 172.56 1xi0 s VAL 56 N -3.06 0.84 -0.15 1.40 1.01 -0.98 -1.29 120.40 118.17 1xi0 s VAL 56 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1xi0 s VAL 56 Cb 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1xi0 s VAL 56 CO -0.07 0.13 -0.20 -0.76 0.00 0.00 0.00 175.10 174.20 1xi0 s LEU 57 N -0.54 2.04 -0.15 3.92 1.43 -0.09 -2.00 118.68 123.29 1xi0 s LEU 57 Ca 0.02 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1xi0 s LEU 57 Cb -0.05 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1xi0 s LEU 57 CO 0.00 0.03 0.06 -0.60 0.23 0.00 0.00 176.35 176.07 1xi0 s ARG 58 N 1.06 3.66 0.12 1.70 3.52 -0.95 -0.66 118.95 127.40 1xi0 s ARG 58 Ca -0.02 -0.32 0.10 0.00 -0.13 0.00 0.00 55.73 55.36 1xi0 s ARG 58 Cb -0.14 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1xi0 s ARG 58 CO -0.07 0.46 -0.24 -0.06 -0.81 0.00 0.00 175.30 174.58 1xi0 s PHE 59 N -0.15 2.39 -0.09 5.12 0.40 0.13 -0.24 117.98 125.53 1xi0 s PHE 59 Ca 0.07 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1xi0 s PHE 59 Cb -0.12 -1.29 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1xi0 s PHE 59 CO 0.01 0.34 -0.10 -1.17 0.70 0.00 0.00 175.22 175.01 1xi0 s LEU 60 N -2.03 1.41 0.59 -0.37 1.98 0.00 -1.70 118.68 118.56 1xi0 s LEU 60 Ca 0.15 -0.29 -0.04 0.00 -2.89 0.00 0.00 54.13 51.06 1xi0 s LEU 60 Cb -0.10 -0.82 0.02 0.00 0.66 0.00 0.00 46.19 45.95 1xi0 s LEU 60 CO 0.07 -0.05 0.86 -0.94 -1.89 0.00 0.00 176.35 174.41 1xi0 s SER 61 N 1.19 5.39 0.32 3.68 1.04 -0.46 -1.79 113.70 123.06 1xi0 s SER 61 Ca -0.05 0.43 0.23 0.00 0.48 0.00 0.00 55.95 57.05 1xi0 s SER 61 Cb -0.14 -1.37 1.17 0.00 0.10 0.00 0.00 66.02 65.78 1xi0 s SER 61 CO -0.02 -1.14 1.71 0.71 0.98 0.00 0.00 173.24 175.47 1xi0 h THR 62 N -0.13 0.00 -0.60 2.02 1.35 -1.33 -1.75 112.91 112.47 1xi0 h THR 62 Ca -0.45 -0.09 -0.23 0.00 -0.55 0.00 0.00 66.41 65.10 1xi0 h THR 62 Cb 1.28 0.68 -0.13 0.00 -1.73 0.00 0.00 68.15 68.24 1xi0 h THR 62 CO 0.58 0.00 0.20 0.29 -0.25 0.00 0.00 175.52 176.35 1xi0 n LYS 63 N -2.30 2.80 -1.30 4.72 5.02 -1.26 -4.96 118.16 120.88 1xi0 n LYS 63 Ca -0.00 -3.06 -0.10 0.00 -2.02 0.00 0.00 58.31 53.12 1xi0 n LYS 63 Cb 0.10 -2.04 -0.04 0.00 -0.02 0.00 0.00 35.03 33.03 1xi0 n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xi0 n GLY 64 N -0.67 1.14 3.78 0.72 0.00 -0.66 -5.01 105.19 104.49 1xi0 n GLY 64 Ca 0.39 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1xi0 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xi0 s GLU 65 N -2.72 4.35 -0.15 1.61 2.12 -1.26 -4.85 118.70 117.81 1xi0 s GLU 65 Ca 0.00 0.87 -0.01 0.00 0.36 0.00 0.00 54.97 56.19 1xi0 s GLU 65 Cb 0.00 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1xi0 s GLU 65 CO 0.00 0.48 -0.12 1.03 -0.54 0.00 0.00 175.26 176.11 1xi0 s ARG 66 N -0.66 3.35 -0.02 4.30 0.52 -1.26 -1.36 118.95 123.82 1xi0 s ARG 66 Ca 0.32 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.78 1xi0 s ARG 66 Cb -0.20 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.58 1xi0 s ARG 66 CO 0.20 0.10 0.13 0.42 0.02 0.00 0.00 175.30 176.18 1xi0 s ILE 67 N 0.64 0.05 0.05 1.52 1.01 -0.69 -2.62 121.20 121.16 1xi0 s ILE 67 Ca -0.07 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.24 1xi0 s ILE 67 Cb -0.15 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.95 1xi0 s ILE 67 CO 0.03 -0.24 -0.25 0.42 0.00 0.00 0.00 174.94 174.89 1xi0 s THR 68 N -0.82 2.06 -0.14 2.92 -4.23 -0.42 0.18 115.64 115.18 1xi0 s THR 68 Ca -0.09 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1xi0 s THR 68 Cb -0.05 -1.77 0.01 0.00 1.34 0.00 0.00 72.50 72.02 1xi0 s THR 68 CO 0.01 0.30 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.48 1xi0 s VAL 69 N -0.84 2.08 -0.19 2.29 1.01 0.17 -1.53 120.40 123.39 1xi0 s VAL 69 Ca 0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1xi0 s VAL 69 Cb -0.10 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1xi0 s VAL 69 CO 0.02 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.63 1xi0 s ALA 70 N 0.82 2.84 0.04 5.51 0.00 0.15 -0.91 121.76 130.21 1xi0 s ALA 70 Ca -0.07 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 50.89 1xi0 s ALA 70 Cb -0.15 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1xi0 s ALA 70 CO -0.02 -0.20 -0.14 0.14 0.00 0.00 0.00 175.76 175.55 1xi0 s VAL 71 N 1.08 1.07 -0.01 0.00 -7.23 -0.42 -0.80 120.40 114.09 1xi0 s VAL 71 Ca 0.01 -0.96 -0.08 0.00 -1.81 0.00 0.00 61.98 59.15 1xi0 s VAL 71 Cb -0.15 -0.97 0.02 0.00 0.56 0.00 0.00 36.38 35.85 1xi0 s VAL 71 CO -0.00 0.01 0.34 0.61 -0.31 0.00 0.00 175.10 175.75 1xi0 n GLY 72 N 1.96 0.48 3.00 2.32 0.00 -0.75 -0.89 105.19 111.31 1xi0 n GLY 72 Ca -0.18 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1xi0 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xi0 s VAL 73 N -2.09 1.42 -0.14 1.61 1.01 -1.10 0.00 120.40 121.11 1xi0 s VAL 73 Ca 0.08 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1xi0 s VAL 73 Cb -0.00 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1xi0 s VAL 73 CO -0.00 0.43 -0.21 -2.28 0.00 0.00 0.00 175.10 173.04 1xi0 s HIS 74 N 1.37 2.69 -1.60 5.22 5.04 0.09 0.83 115.29 128.92 1xi0 s HIS 74 Ca 0.01 -1.30 -0.14 0.00 -1.54 0.00 0.00 55.06 52.09 1xi0 s HIS 74 Cb -0.13 -1.83 0.11 0.00 0.04 0.00 0.00 32.58 30.77 1xi0 s HIS 74 CO -0.07 -0.59 0.84 0.27 -2.34 0.00 0.00 174.74 172.85 1xi0 n ASN 75 N 4.06 -3.64 -0.07 9.88 0.23 -1.26 -1.21 115.26 123.24 1xi0 n ASN 75 Ca -0.20 -0.91 -0.01 0.00 -0.53 0.00 0.00 54.58 52.94 1xi0 n ASN 75 Cb 0.52 -3.31 -0.00 0.00 -2.08 0.00 0.00 39.78 34.90 1xi0 n ASN 75 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1xi0 n TYR 76 N -4.51 0.00 -4.71 -2.53 4.02 -1.26 -5.01 117.16 103.15 1xi0 n TYR 76 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 1xi0 n TYR 76 Cb 0.53 -0.87 -0.16 0.00 -0.02 0.00 0.00 39.34 38.81 1xi0 n TYR 76 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1xi0 s LYS 77 N -1.00 1.87 0.87 -0.72 1.02 -0.35 -4.97 119.74 116.46 1xi0 s LYS 77 Ca 0.00 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 1xi0 s LYS 77 Cb 0.00 -1.53 0.08 0.00 -0.52 0.00 0.00 37.83 35.86 1xi0 s LYS 77 CO 0.00 0.10 0.96 2.89 -0.92 0.00 0.00 175.35 178.37 1xi0 n ARG 78 N 3.61 -0.12 -3.76 1.68 -4.01 -1.26 -0.73 116.66 112.06 1xi0 n ARG 78 Ca -0.21 0.03 -0.09 0.00 -1.04 0.00 0.00 57.85 56.53 1xi0 n ARG 78 Cb 0.52 -2.24 -0.06 0.00 -3.04 0.00 0.00 32.46 27.64 1xi0 n ARG 78 CO 0.00 0.00 0.00 1.67 -3.04 0.00 0.00 177.63 176.26 1xi0 s TRP 79 N -2.33 0.01 0.22 2.89 1.48 0.10 -3.74 118.94 117.57 1xi0 s TRP 79 Ca 0.67 -0.39 -0.15 0.00 -1.06 0.00 0.00 56.10 55.18 1xi0 s TRP 79 Cb -0.26 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 32.14 1xi0 s TRP 79 CO 0.57 -0.62 0.50 0.00 -4.06 0.00 0.00 176.95 173.34 1xi0 s ASP 81 N -2.95 -0.45 -0.04 0.00 2.15 0.02 -4.72 116.67 110.67 1xi0 s ASP 81 Ca 0.16 0.22 -0.00 0.00 0.43 0.00 0.00 52.55 53.36 1xi0 s ASP 81 Cb -0.01 0.43 0.03 0.00 -0.30 0.00 0.00 42.92 43.07 1xi0 s ASP 81 CO 0.04 -0.61 0.00 -0.69 -0.17 0.00 0.00 175.17 173.74 1xi0 s VAL 82 N -2.42 0.19 -0.10 1.11 1.01 -1.26 0.32 120.40 119.25 1xi0 s VAL 82 Ca -0.00 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1xi0 s VAL 82 Cb -0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1xi0 s VAL 82 CO -0.04 0.17 -0.20 -0.69 0.00 0.00 0.00 175.10 174.34 1xi0 s VAL 83 N 1.27 2.41 0.51 2.92 1.01 -0.58 -4.95 120.40 122.99 1xi0 s VAL 83 Ca -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.06 1xi0 s VAL 83 Cb -0.13 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1xi0 s VAL 83 CO -0.02 0.55 0.23 0.42 0.00 0.00 0.00 175.10 176.28 1xi0 s THR 84 N 0.19 1.61 -1.43 3.92 -4.23 -1.26 -1.31 115.64 113.14 1xi0 s THR 84 Ca -0.12 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1xi0 s THR 84 Cb -0.16 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.41 1xi0 s THR 84 CO 0.07 0.00 0.75 0.61 -0.54 0.00 0.00 174.62 175.50 1xi0 n GLY 85 N -1.51 -0.36 3.77 3.99 0.00 -1.16 -4.94 105.19 104.98 1xi0 n GLY 85 Ca -0.07 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1xi0 n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xi0 s LEU 86 N -6.98 4.55 0.70 0.99 1.43 -1.08 -5.03 118.68 113.27 1xi0 s LEU 86 Ca 0.28 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 1xi0 s LEU 86 Cb -0.14 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.52 1xi0 s LEU 86 CO 0.84 0.12 1.07 -1.59 0.23 0.00 0.00 176.35 177.03 1xi0 s LYS 87 N -1.40 2.77 0.61 1.70 0.00 -1.26 -4.55 119.74 117.61 1xi0 s LYS 87 Ca 0.41 1.11 0.32 0.00 0.00 0.00 0.00 55.97 57.81 1xi0 s LYS 87 Cb -0.23 -1.96 1.88 0.00 0.00 0.00 0.00 37.83 37.52 1xi0 s LYS 87 CO 0.28 -1.24 2.21 -1.35 0.00 0.00 0.00 175.35 175.25 1xi0 h PRO 88 N -0.58 0.00 -0.03 1.78 0.11 -1.99 -0.69 132.00 130.61 1xi0 h PRO 88 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xi0 h PRO 88 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xi0 h PRO 88 CO 0.55 0.00 -0.10 -0.40 -0.21 0.00 0.00 178.00 177.84 1xi0 n ASP 89 N -3.61 2.61 -4.45 -2.05 5.75 -1.26 -4.62 116.55 108.92 1xi0 n ASP 89 Ca -0.01 -1.83 -0.44 0.00 -0.01 0.00 0.00 54.79 52.50 1xi0 n ASP 89 Cb 0.18 0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1xi0 n ASP 89 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1xi0 s GLU 90 N -2.11 4.09 0.73 0.11 2.02 -0.27 -4.91 118.70 118.37 1xi0 s GLU 90 Ca 0.27 -2.64 -0.07 0.00 0.02 0.00 0.00 54.97 52.55 1xi0 s GLU 90 Cb 0.20 -4.99 0.08 0.00 0.10 0.00 0.00 34.13 29.51 1xi0 s GLU 90 CO 0.36 -1.70 1.05 0.95 0.02 0.00 0.00 175.26 175.94 1xi0 s THR 91 N 1.25 2.23 0.45 3.63 -4.23 -1.26 -4.66 115.64 113.06 1xi0 s THR 91 Ca 0.41 -0.26 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 1xi0 s THR 91 Cb -0.04 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.09 1xi0 s THR 91 CO -0.01 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.15 1xi0 h ALA 92 N -0.70 1.80 0.00 3.99 0.00 -1.95 0.40 119.26 122.80 1xi0 h ALA 92 Ca -0.44 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1xi0 h ALA 92 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1xi0 h ALA 92 CO 0.57 0.17 -0.23 1.25 0.00 0.00 0.00 179.25 181.01 1xi0 h LEU 93 N 0.28 0.00 0.14 0.00 6.46 -1.97 0.21 115.31 120.43 1xi0 h LEU 93 Ca 0.07 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.56 1xi0 h LEU 93 Cb 0.02 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1xi0 h LEU 93 CO -0.01 0.23 -1.36 0.58 -0.62 0.00 0.00 178.44 177.26 1xi0 h VAL 94 N 0.00 1.12 0.15 1.05 2.07 -0.95 -3.39 116.25 116.30 1xi0 h VAL 94 Ca -0.00 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 1xi0 h VAL 94 Cb 0.45 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 1xi0 h VAL 94 CO 0.03 0.73 -0.07 0.40 0.02 0.00 0.00 177.57 178.68 1xi0 h ILE 95 N -0.23 0.99 -0.84 4.57 1.08 -0.04 -3.35 117.51 119.68 1xi0 h ILE 95 Ca -0.28 -0.97 0.21 0.00 -0.39 0.00 0.00 64.86 63.44 1xi0 h ILE 95 Cb 1.81 1.55 -0.13 0.00 -3.07 0.00 0.00 36.82 36.98 1xi0 h ILE 95 CO 0.11 0.21 0.25 -1.13 -0.69 0.00 0.00 178.15 176.90 1xi0 h ASN 96 N -0.70 0.07 0.78 1.72 -0.73 -0.81 0.23 115.58 116.14 1xi0 h ASN 96 Ca -0.02 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1xi0 h ASN 96 Cb 0.50 0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1xi0 h ASN 96 CO 0.03 -0.09 0.00 -0.65 -0.37 0.00 0.00 177.43 176.36 1xi0 h PRO 97 N 0.27 0.00 0.00 6.67 0.11 -1.76 -3.16 132.00 134.13 1xi0 h PRO 97 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1xi0 h PRO 97 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xi0 h PRO 97 CO -0.59 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 178.24 1xi0 n GLN 98 N -2.58 0.07 -0.08 1.05 6.02 0.07 -1.86 117.38 120.07 1xi0 n GLN 98 Ca 0.01 0.31 0.11 0.00 -0.01 0.00 0.00 57.00 57.42 1xi0 n GLN 98 Cb 0.24 -1.63 0.36 0.00 1.02 0.00 0.00 30.24 30.23 1xi0 n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xi0 n TYR 99 N -1.77 0.20 -4.20 1.08 4.02 -1.19 -0.45 117.16 114.84 1xi0 n TYR 99 Ca 0.03 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.90 57.64 1xi0 n TYR 99 Cb 0.19 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.40 1xi0 n TYR 99 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1xi0 s TYR 100 N -1.80 1.28 -1.39 -0.72 2.02 -0.78 -3.84 117.35 112.11 1xi0 s TYR 100 Ca 0.34 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1xi0 s TYR 100 Cb 0.19 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1xi0 s TYR 100 CO 0.28 0.09 0.58 0.09 -1.57 0.00 0.00 175.55 175.02 1xi0 n ASN 101 N 0.82 -1.05 -3.58 2.29 3.02 -1.26 -2.38 115.26 113.11 1xi0 n ASN 101 Ca -0.18 -0.92 -0.21 0.00 -0.03 0.00 0.00 54.58 53.25 1xi0 n ASN 101 Cb 0.56 -3.48 0.01 0.00 -0.61 0.00 0.00 39.78 36.26 1xi0 n ASN 101 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xi0 n ASN 102 N -2.99 -5.73 -0.66 6.41 3.02 -1.26 -4.88 115.26 109.17 1xi0 n ASN 102 Ca -0.27 -0.75 0.12 0.00 -0.03 0.00 0.00 54.58 53.65 1xi0 n ASN 102 Cb 0.66 -3.04 0.07 0.00 -0.61 0.00 0.00 39.78 36.87 1xi0 n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi0 n GLY 103 N -1.72 0.36 0.00 7.41 0.00 -1.00 -4.96 105.19 105.28 1xi0 n GLY 103 Ca -0.17 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1xi0 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xi0 n GLY 104 N 1.38 2.42 0.12 -0.02 0.00 -1.00 -4.74 105.19 103.35 1xi0 n GLY 104 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1xi0 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xi0 n ARG 105 N -0.44 0.70 -0.29 1.61 1.74 0.40 -4.74 116.66 115.64 1xi0 n ARG 105 Ca 0.00 -1.01 0.11 0.00 -0.77 0.00 0.00 57.85 56.18 1xi0 n ARG 105 Cb 0.00 -1.05 0.26 0.00 -1.02 0.00 0.00 32.46 30.64 1xi0 n ARG 105 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xi0 h ASP 106 N 0.48 -0.06 0.17 0.55 3.32 -1.66 0.18 116.42 119.39 1xi0 h ASP 106 Ca 0.00 0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1xi0 h ASP 106 Cb 0.27 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1xi0 h ASP 106 CO 0.00 -0.15 -0.09 0.10 -1.72 0.00 0.00 179.24 177.38 1xi0 h TYR 107 N 0.20 0.00 -0.28 4.55 -0.00 -1.88 -1.51 116.97 118.04 1xi0 h TYR 107 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.13 1xi0 h TYR 107 Cb 1.01 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.73 1xi0 h TYR 107 CO -0.30 0.09 -0.27 -0.39 -0.00 0.00 0.00 178.16 177.29 1xi0 h VAL 108 N 0.00 1.30 -0.30 -0.90 -1.51 -1.00 -3.03 116.25 110.82 1xi0 h VAL 108 Ca -0.00 -1.43 -0.02 0.00 -1.23 0.00 0.00 66.70 64.01 1xi0 h VAL 108 Cb 0.20 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1xi0 h VAL 108 CO 0.01 0.46 0.10 -0.09 -1.23 0.00 0.00 177.57 176.82 1xi0 h ARG 109 N 0.42 0.46 0.00 5.19 2.43 -1.14 -2.76 114.38 118.98 1xi0 h ARG 109 Ca 0.05 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1xi0 h ARG 109 Cb 0.83 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1xi0 h ARG 109 CO 0.07 0.50 -0.01 0.93 -1.51 0.00 0.00 179.97 179.95 1xi0 h GLU 110 N 0.33 0.00 0.00 0.20 5.08 -1.34 -0.77 114.58 118.07 1xi0 h GLU 110 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1xi0 h GLU 110 Cb 0.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xi0 h GLU 110 CO -0.00 0.01 -0.08 0.87 -1.00 0.00 0.00 179.01 178.80 1xi0 h LYS 111 N 0.00 0.00 -5.98 2.33 1.57 -1.36 -3.46 116.57 109.67 1xi0 h LYS 111 Ca -0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.38 1xi0 h LYS 111 Cb 0.03 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.42 1xi0 h LYS 111 CO 0.00 0.08 -0.80 1.04 -0.57 0.00 0.00 179.45 179.21 1xi0 n GLN 112 N -4.14 -5.65 -2.22 3.15 6.02 -0.30 -4.91 117.38 109.33 1xi0 n GLN 112 Ca -0.03 0.69 -0.41 0.00 -0.01 0.00 0.00 57.00 57.25 1xi0 n GLN 112 Cb 0.17 -5.45 -0.03 0.00 1.02 0.00 0.00 30.24 25.95 1xi0 n GLN 112 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xi0 s LEU 113 N -6.71 4.43 0.00 1.08 1.43 -1.25 -4.62 118.68 113.05 1xi0 s LEU 113 Ca 0.12 2.45 0.24 0.00 -1.03 0.00 0.00 54.13 55.91 1xi0 s LEU 113 Cb -0.06 -3.62 0.32 0.00 0.03 0.00 0.00 46.19 42.86 1xi0 s LEU 113 CO 0.79 -0.50 1.29 0.00 0.23 0.00 0.00 176.35 178.16 1xi0 n ALA 114 N 2.17 3.39 -3.58 4.21 0.00 -1.26 -3.01 120.51 122.43 1xi0 n ALA 114 Ca 0.04 -0.54 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 1xi0 n ALA 114 Cb 0.43 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.87 1xi0 n ALA 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1xi0 s GLU 115 N -2.51 0.89 -0.22 0.00 4.04 -1.26 -0.30 118.70 119.34 1xi0 s GLU 115 Ca 0.21 0.74 -0.25 0.00 0.04 0.00 0.00 54.97 55.70 1xi0 s GLU 115 Cb 0.19 0.43 0.07 0.00 0.02 0.00 0.00 34.13 34.83 1xi0 s GLU 115 CO 0.56 -0.17 0.68 -0.47 -1.84 0.00 0.00 175.26 174.02 1xi0 s TYR 116 N -0.14 -0.73 -0.01 4.83 5.04 0.16 -5.00 117.35 121.51 1xi0 s TYR 116 Ca -0.04 1.69 -0.07 0.00 -2.44 0.00 0.00 57.07 56.22 1xi0 s TYR 116 Cb -0.03 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1xi0 s TYR 116 CO 0.04 -0.41 0.13 -1.54 -1.34 0.00 0.00 175.55 172.43 1xi0 s SER 117 N 0.05 0.01 0.05 4.32 1.04 -1.26 0.09 113.70 118.00 1xi0 s SER 117 Ca -0.02 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.15 1xi0 s SER 117 Cb -0.04 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1xi0 s SER 117 CO 0.03 -0.31 0.28 0.54 0.98 0.00 0.00 173.24 174.75 1xi0 s VAL 118 N -1.13 0.09 -0.17 5.02 0.11 0.29 -4.99 120.40 119.63 1xi0 s VAL 118 Ca -0.12 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1xi0 s VAL 118 Cb -0.07 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1xi0 s VAL 118 CO 0.01 -0.42 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.27 1xi0 s THR 119 N -2.74 2.03 1.12 5.04 2.01 -1.26 0.34 115.64 122.19 1xi0 s THR 119 Ca -0.04 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 1xi0 s THR 119 Cb -0.00 -1.83 0.26 0.00 0.01 0.00 0.00 72.50 70.94 1xi0 s THR 119 CO -0.05 0.54 1.05 -0.94 -0.69 0.00 0.00 174.62 174.53 1xi0 s SER 120 N 1.16 1.40 0.45 3.53 1.04 0.83 -4.85 113.70 117.27 1xi0 s SER 120 Ca 0.01 1.37 0.31 0.00 0.48 0.00 0.00 55.95 58.12 1xi0 s SER 120 Cb -0.14 -2.12 1.51 0.00 0.10 0.00 0.00 66.02 65.37 1xi0 s SER 120 CO -0.10 -3.92 1.94 0.00 0.98 0.00 0.00 173.24 172.15 1xi0 h ALA 121 N -2.43 1.00 -0.57 5.32 0.00 -1.96 -1.96 119.26 118.66 1xi0 h ALA 121 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xi0 h ALA 121 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xi0 h ALA 121 CO 0.53 0.00 0.00 0.44 0.00 0.00 0.00 179.25 180.22 1xi0 n ILE 122 N -2.67 1.99 -0.26 0.00 -5.35 -1.26 -4.96 119.36 106.85 1xi0 n ILE 122 Ca -0.01 -1.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.17 1xi0 n ILE 122 Cb 0.16 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.10 1xi0 n ILE 122 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xi0 n GLY 123 N 0.80 0.77 3.62 3.28 0.00 -0.74 -5.06 105.19 107.86 1xi0 n GLY 123 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1xi0 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xi0 s THR 124 N -2.61 4.64 -0.13 2.61 2.01 -1.26 -4.74 115.64 116.16 1xi0 s THR 124 Ca 0.00 1.34 -0.20 0.00 0.31 0.00 0.00 61.69 63.15 1xi0 s THR 124 Cb 0.00 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1xi0 s THR 124 CO 0.00 -0.41 0.55 -0.75 -0.69 0.00 0.00 174.62 173.32 1xi0 s LYS 125 N 3.33 4.32 -0.08 4.92 2.20 0.87 -0.12 119.74 135.18 1xi0 s LYS 125 Ca 0.38 0.56 0.05 0.00 -0.36 0.00 0.00 55.97 56.60 1xi0 s LYS 125 Cb -0.13 -3.48 -0.00 0.00 -1.51 0.00 0.00 37.83 32.71 1xi0 s LYS 125 CO 0.15 0.04 -0.23 0.08 -0.36 0.00 0.00 175.35 175.02 1xi0 s VAL 126 N 0.99 1.99 0.15 4.02 1.01 0.15 -0.63 120.40 128.09 1xi0 s VAL 126 Ca 0.29 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1xi0 s VAL 126 Cb -0.16 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1xi0 s VAL 126 CO 0.12 0.55 -0.16 -1.61 0.00 0.00 0.00 175.10 173.99 1xi0 s GLU 127 N 0.20 1.19 -0.07 2.72 2.02 -0.19 -0.54 118.70 124.03 1xi0 s GLU 127 Ca -0.14 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.46 1xi0 s GLU 127 Cb -0.16 -1.15 0.03 0.00 0.10 0.00 0.00 34.13 32.95 1xi0 s GLU 127 CO 0.07 0.22 0.03 0.08 0.02 0.00 0.00 175.26 175.68 1xi0 s VAL 128 N -2.20 0.19 -0.05 2.63 1.01 0.11 -1.40 120.40 120.69 1xi0 s VAL 128 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1xi0 s VAL 128 Cb -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 36.38 35.94 1xi0 s VAL 128 CO 0.05 0.19 -0.02 0.68 0.00 0.00 0.00 175.10 176.00 1xi0 s VAL 129 N 2.05 0.43 -0.27 2.92 -7.23 -0.73 -0.66 120.40 116.91 1xi0 s VAL 129 Ca 0.05 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1xi0 s VAL 129 Cb -0.12 -0.52 0.01 0.00 0.56 0.00 0.00 36.38 36.31 1xi0 s VAL 129 CO -0.05 0.23 1.16 -0.31 -0.31 0.00 0.00 175.10 175.82 1xi0 s TYR 130 N 1.30 3.00 -0.78 2.82 1.51 0.59 -0.93 117.35 124.87 1xi0 s TYR 130 Ca -0.05 1.12 0.26 0.00 -1.01 0.00 0.00 57.07 57.39 1xi0 s TYR 130 Cb -0.13 -3.65 0.68 0.00 -0.11 0.00 0.00 41.96 38.75 1xi0 s TYR 130 CO -0.02 -1.14 1.60 0.25 -1.11 0.00 0.00 175.55 175.13 1xi0 n THR 131 N 5.78 0.34 -3.37 -0.71 -2.24 0.26 -4.27 114.28 110.08 1xi0 n THR 131 Ca 0.13 -0.20 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1xi0 n THR 131 Cb 0.46 -0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1xi0 n THR 131 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xi0 s VAL 132 N -3.09 -0.35 -2.27 2.28 1.01 -0.91 -4.95 120.40 112.12 1xi0 s VAL 132 Ca 0.10 -0.90 0.20 0.00 0.00 0.00 0.00 61.98 61.38 1xi0 s VAL 132 Cb 0.14 -0.74 0.43 0.00 0.00 0.00 0.00 36.38 36.22 1xi0 s VAL 132 CO 0.64 -0.56 1.47 0.00 0.00 0.00 0.00 175.10 176.65 1xi0 n ALA 133 N 4.44 2.48 -2.51 5.51 0.00 -1.26 -2.26 120.51 126.91 1xi0 n ALA 133 Ca 0.09 -0.68 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 1xi0 n ALA 133 Cb 0.45 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.78 1xi0 n ALA 133 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1xi0 s GLU 134 N -1.65 1.00 0.18 0.00 1.03 -1.26 -4.65 118.70 113.34 1xi0 s GLU 134 Ca 0.33 -1.21 0.00 0.00 0.03 0.00 0.00 54.97 54.12 1xi0 s GLU 134 Cb 0.18 -0.90 0.00 0.00 -0.80 0.00 0.00 34.13 32.61 1xi0 s GLU 134 CO 0.26 0.18 0.00 0.41 -1.33 0.00 0.00 175.26 174.78 1xi0 n GLY 135 N 0.62 -1.81 0.00 -3.83 0.00 -1.26 -4.60 105.19 94.30 1xi0 n GLY 135 Ca -0.16 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 43.99 1xi0 n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xi0 n ASN 136 N 0.04 0.83 -3.49 1.61 2.04 -1.26 -4.61 115.26 110.42 1xi0 n ASN 136 Ca 0.00 -0.54 -0.32 0.00 -0.44 0.00 0.00 54.58 53.28 1xi0 n ASN 136 Cb 0.00 1.35 -0.04 0.00 -2.53 0.00 0.00 39.78 38.56 1xi0 n ASN 136 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xi0 n ASN 137 N -1.71 4.93 -4.77 0.53 5.03 -1.26 0.11 115.26 118.12 1xi0 n ASN 137 Ca 0.01 -3.51 -0.34 0.00 0.87 0.00 0.00 54.58 51.60 1xi0 n ASN 137 Cb 0.36 -0.84 0.03 0.00 -1.02 0.00 0.00 39.78 38.31 1xi0 n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xi0 s LEU 138 N -2.95 3.54 -0.02 3.41 1.43 0.23 -4.94 118.68 119.38 1xi0 s LEU 138 Ca 0.40 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 55.57 1xi0 s LEU 138 Cb 0.16 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1xi0 s LEU 138 CO -0.02 -1.51 0.08 -1.61 0.23 0.00 0.00 176.35 173.52 1xi0 s GLU 139 N -3.73 0.19 0.07 1.70 2.02 -0.96 -1.45 118.70 116.53 1xi0 s GLU 139 Ca 0.70 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 55.51 1xi0 s GLU 139 Cb -0.23 0.08 0.02 0.00 0.10 0.00 0.00 34.13 34.10 1xi0 s GLU 139 CO 0.36 -0.03 0.28 0.00 0.02 0.00 0.00 175.26 175.89 1xi0 s ALA 140 N -0.37 -0.57 0.01 5.21 0.00 -0.18 -0.57 121.76 125.28 1xi0 s ALA 140 Ca -0.04 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.75 1xi0 s ALA 140 Cb -0.03 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 1xi0 s ALA 140 CO 0.00 -0.48 -0.08 -0.80 0.00 0.00 0.00 175.76 174.40 1xi0 s ASN 141 N -2.43 4.53 -0.24 0.00 0.01 -0.11 -2.62 114.94 114.08 1xi0 s ASN 141 Ca -0.01 -0.18 -0.02 0.00 -0.71 0.00 0.00 52.86 51.94 1xi0 s ASN 141 Cb 0.01 -1.02 0.02 0.00 0.41 0.00 0.00 41.25 40.67 1xi0 s ASN 141 CO -0.07 0.28 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.05 1xi0 s VAL 142 N -0.99 2.97 -0.20 1.60 1.01 -0.58 -1.77 120.40 122.44 1xi0 s VAL 142 Ca 0.17 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1xi0 s VAL 142 Cb -0.11 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1xi0 s VAL 142 CO 0.07 0.25 -0.10 -0.63 0.00 0.00 0.00 175.10 174.69 1xi0 s ILE 143 N 1.36 2.95 -0.12 2.22 1.09 -0.49 -0.36 121.20 127.85 1xi0 s ILE 143 Ca 0.02 -0.65 -0.10 0.00 -1.10 0.00 0.00 60.65 58.82 1xi0 s ILE 143 Cb -0.16 -2.30 -0.05 0.00 -1.06 0.00 0.00 42.46 38.89 1xi0 s ILE 143 CO -0.04 0.47 0.21 -0.36 -0.10 0.00 0.00 174.94 175.12 1xi0 s PHE 144 N 1.26 3.56 0.00 3.97 0.40 0.06 -1.03 117.98 126.21 1xi0 s PHE 144 Ca 0.03 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 1xi0 s PHE 144 Cb -0.14 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1xi0 s PHE 144 CO -0.05 0.56 0.00 -1.13 0.70 0.00 0.00 175.22 175.30