#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xi0 n SER 4 N 0.00 -3.35 -4.00 6.12 3.41 -1.26 -4.28 113.62 110.26 1xi0 n SER 4 Ca 0.00 -0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 57.94 1xi0 n SER 4 Cb 0.00 -0.77 -0.12 0.00 -0.26 0.00 0.00 64.21 63.06 1xi0 n SER 4 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xi0 s TYR 5 N -1.94 0.42 -0.03 7.33 1.51 0.17 -4.61 117.35 120.20 1xi0 s TYR 5 Ca 0.43 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1xi0 s TYR 5 Cb -0.08 -0.27 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1xi0 s TYR 5 CO 0.36 -0.13 -0.07 0.45 -1.11 0.00 0.00 175.55 175.05 1xi0 s SER 6 N -1.35 1.02 -0.22 2.29 0.15 -0.56 0.15 113.70 115.19 1xi0 s SER 6 Ca -0.12 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1xi0 s SER 6 Cb -0.09 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.95 1xi0 s SER 6 CO -0.00 0.03 -0.05 0.27 1.20 0.00 0.00 173.24 174.69 1xi0 s ILE 7 N 0.36 1.41 -0.22 6.45 -0.00 -0.50 -0.24 121.20 128.46 1xi0 s ILE 7 Ca -0.05 -1.08 -0.12 0.00 -0.00 0.00 0.00 60.65 59.40 1xi0 s ILE 7 Cb -0.09 -1.66 -0.05 0.00 -0.00 0.00 0.00 42.46 40.65 1xi0 s ILE 7 CO 0.00 -0.06 0.22 -0.89 -0.00 0.00 0.00 174.94 174.21 1xi0 s THR 8 N 1.46 5.33 -0.11 8.37 2.01 0.03 -1.26 115.64 131.47 1xi0 s THR 8 Ca -0.04 0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1xi0 s THR 8 Cb -0.18 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1xi0 s THR 8 CO -0.07 0.34 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.31 1xi0 s LEU 9 N 0.95 2.70 -0.13 4.42 1.43 0.28 -1.15 118.68 127.18 1xi0 s LEU 9 Ca 0.11 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1xi0 s LEU 9 Cb -0.13 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1xi0 s LEU 9 CO 0.04 0.21 -0.22 -0.13 0.23 0.00 0.00 176.35 176.49 1xi0 s ARG 10 N 0.07 2.95 -0.21 1.70 0.52 -1.01 -0.32 118.95 122.66 1xi0 s ARG 10 Ca -0.05 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.23 1xi0 s ARG 10 Cb -0.15 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.92 1xi0 s ARG 10 CO 0.04 0.02 0.11 0.08 0.02 0.00 0.00 175.30 175.58 1xi0 s VAL 11 N 0.73 5.14 -0.18 3.52 1.01 -1.26 -0.72 120.40 128.63 1xi0 s VAL 11 Ca -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1xi0 s VAL 11 Cb -0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xi0 s VAL 11 CO 0.00 0.42 -0.03 -0.31 0.00 0.00 0.00 175.10 175.18 1xi0 s TYR 12 N 0.60 3.00 -0.22 5.22 1.51 0.21 -4.94 117.35 122.73 1xi0 s TYR 12 Ca 0.06 -0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1xi0 s TYR 12 Cb -0.12 -2.03 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1xi0 s TYR 12 CO 0.01 -0.22 -0.05 -0.65 -1.11 0.00 0.00 175.55 173.53 1xi0 s GLN 13 N 0.82 3.35 -0.06 -0.62 -0.21 -1.26 -0.63 119.66 121.04 1xi0 s GLN 13 Ca -0.01 -0.64 0.14 0.00 0.02 0.00 0.00 55.36 54.87 1xi0 s GLN 13 Cb -0.14 -3.00 -0.21 0.00 1.00 0.00 0.00 33.01 30.65 1xi0 s GLN 13 CO 0.02 -0.21 0.22 0.25 -2.12 0.00 0.00 175.29 173.45 1xi0 n THR 14 N 4.79 0.36 -3.93 -0.19 -2.24 -0.22 -4.96 114.28 107.88 1xi0 n THR 14 Ca -0.18 -0.43 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 1xi0 n THR 14 Cb 0.51 -0.14 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 1xi0 n THR 14 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xi0 s ASN 15 N -4.08 2.32 0.06 3.42 0.01 -1.26 -4.94 114.94 110.47 1xi0 s ASN 15 Ca -0.06 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.77 1xi0 s ASN 15 Cb 0.07 -0.93 0.19 0.00 0.41 0.00 0.00 41.25 41.00 1xi0 s ASN 15 CO 0.60 -0.11 1.05 0.54 -1.51 0.00 0.00 177.10 177.67 1xi0 n ARG 16 N 4.90 0.02 0.21 -0.60 1.74 -1.26 -2.12 116.66 119.55 1xi0 n ARG 16 Ca -0.13 0.47 -0.09 0.00 -0.77 0.00 0.00 57.85 57.33 1xi0 n ARG 16 Cb 0.50 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1xi0 n ARG 16 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 1xi0 h ASP 17 N 0.00 -0.50 0.00 0.55 2.03 -2.00 -2.91 116.42 113.59 1xi0 h ASP 17 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1xi0 h ASP 17 Cb 0.14 0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1xi0 h ASP 17 CO 0.00 -0.34 0.00 -2.11 -1.03 0.00 0.00 179.24 175.76 1xi0 n ARG 18 N -3.56 0.29 0.00 4.15 -4.01 -0.90 -4.96 116.66 107.67 1xi0 n ARG 18 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 1xi0 n ARG 18 Cb 0.22 -1.24 0.00 0.00 -3.04 0.00 0.00 32.46 28.40 1xi0 n ARG 18 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1xi0 n GLY 19 N -0.31 -2.36 3.44 2.89 0.00 -1.10 -4.71 105.19 103.03 1xi0 n GLY 19 Ca 0.03 -1.57 -0.35 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 -0.73 3.04 0.13 1.61 5.04 -1.26 -4.77 117.35 120.41 1xi0 s TYR 20 Ca 0.00 -0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 54.09 1xi0 s TYR 20 Cb 0.00 -2.10 -0.06 0.00 0.35 0.00 0.00 41.96 40.16 1xi0 s TYR 20 CO 0.00 -0.26 0.40 -0.06 -1.34 0.00 0.00 175.55 174.29 1xi0 s PHE 21 N 1.05 3.50 0.01 4.97 0.40 -1.26 -0.19 117.98 126.46 1xi0 s PHE 21 Ca 0.02 0.66 -0.01 0.00 -0.60 0.00 0.00 56.93 56.99 1xi0 s PHE 21 Cb -0.14 -2.08 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 1xi0 s PHE 21 CO 0.02 0.44 0.01 -1.12 0.70 0.00 0.00 175.22 175.27 1xi0 s SER 22 N -2.23 0.13 0.14 1.36 0.01 0.42 -4.89 113.70 108.64 1xi0 s SER 22 Ca 0.39 -0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.04 1xi0 s SER 22 Cb -0.12 0.10 -0.08 0.00 0.21 0.00 0.00 66.02 66.13 1xi0 s SER 22 CO 0.22 -0.23 1.37 -0.63 0.41 0.00 0.00 173.24 174.38 1xi0 s ILE 23 N -1.03 3.27 0.00 1.44 1.01 -1.26 -0.37 121.20 124.26 1xi0 s ILE 23 Ca -0.11 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1xi0 s ILE 23 Cb -0.07 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1xi0 s ILE 23 CO -0.00 0.09 0.48 1.33 0.00 0.00 0.00 174.94 176.84 1xi0 n VAL 24 N 3.61 0.00 -3.59 2.92 0.24 0.31 -4.91 118.33 116.91 1xi0 n VAL 24 Ca 0.10 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.34 61.82 1xi0 n VAL 24 Cb 0.42 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.04 0.46 -0.15 7.34 2.12 -1.21 -4.97 118.70 122.25 1xi0 s GLU 25 Ca 0.00 0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1xi0 s GLU 25 Cb 0.00 0.22 0.07 0.00 0.26 0.00 0.00 34.13 34.68 1xi0 s GLU 25 CO 0.00 -0.14 0.22 0.15 -0.54 0.00 0.00 175.26 174.94 1xi0 s LYS 26 N -1.06 0.13 0.20 4.30 1.02 -1.26 -1.38 119.74 121.70 1xi0 s LYS 26 Ca 0.01 0.46 0.10 0.00 0.02 0.00 0.00 55.97 56.56 1xi0 s LYS 26 Cb -0.01 -0.61 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 1xi0 s LYS 26 CO -0.01 -0.45 -0.15 0.95 -0.92 0.00 0.00 175.35 174.76 1xi0 s THR 27 N 2.34 2.81 -0.07 2.17 -4.23 -0.50 -4.96 115.64 113.19 1xi0 s THR 27 Ca 0.04 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1xi0 s THR 27 Cb -0.14 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.32 1xi0 s THR 27 CO -0.09 -0.17 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.00 1xi0 s VAL 28 N -1.83 1.20 0.62 2.29 1.01 -1.26 -1.39 120.40 121.04 1xi0 s VAL 28 Ca 0.24 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1xi0 s VAL 28 Cb -0.08 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1xi0 s VAL 28 CO 0.13 0.37 1.09 0.86 0.00 0.00 0.00 175.10 177.56 1xi0 s TRP 29 N 0.76 2.78 -2.38 5.22 -0.00 -0.14 -4.96 118.94 120.22 1xi0 s TRP 29 Ca -0.12 1.53 0.22 0.00 -0.00 0.00 0.00 56.10 57.73 1xi0 s TRP 29 Cb -0.16 -3.11 0.70 0.00 -0.00 0.00 0.00 33.47 30.90 1xi0 s TRP 29 CO 0.03 -1.43 1.53 -2.39 -0.00 0.00 0.00 176.95 174.68 1xi0 n HIS 30 N -2.13 0.22 -1.83 5.86 1.44 -1.26 -4.39 115.22 113.13 1xi0 n HIS 30 Ca 0.10 -0.11 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 1xi0 n HIS 30 Cb 0.52 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.79 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 -1.78 1.99 -1.52 -1.40 2.99 -1.26 -3.82 117.98 113.18 1xi0 s PHE 31 Ca 0.34 0.50 -0.15 0.00 0.00 0.00 0.00 56.93 57.62 1xi0 s PHE 31 Cb 0.19 -3.84 0.12 0.00 0.00 0.00 0.00 43.02 39.49 1xi0 s PHE 31 CO 0.28 -2.46 0.71 0.00 -0.00 0.00 0.00 175.22 173.76 1xi0 n ALA 32 N -3.71 -1.19 -2.05 5.36 0.00 -1.26 -1.10 120.51 116.57 1xi0 n ALA 32 Ca 0.12 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 1xi0 n ALA 32 Cb 0.60 -3.40 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 1xi0 n ALA 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xi0 n ASN 33 N -2.54 -4.51 0.00 0.00 3.02 -1.26 -3.24 115.26 106.72 1xi0 n ASN 33 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1xi0 n ASN 33 Cb 0.51 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1xi0 n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xi0 n GLY 34 N -1.06 0.89 0.00 7.41 0.00 -0.26 -4.55 105.19 107.63 1xi0 n GLY 34 Ca -0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.50 3.27 -0.02 0.00 -1.26 -1.65 105.19 104.03 1xi0 n GLY 35 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.79 0.07 -0.12 2.61 -4.23 -0.54 -4.96 115.64 105.68 1xi0 s THR 36 Ca 0.00 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 59.85 1xi0 s THR 36 Cb 0.00 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1xi0 s THR 36 CO 0.00 -0.32 0.15 0.26 -0.54 0.00 0.00 174.62 174.17 1xi0 s TRP 37 N -2.35 3.60 0.14 3.99 0.52 -1.26 -1.68 118.94 121.90 1xi0 s TRP 37 Ca -0.06 0.54 0.01 0.00 0.02 0.00 0.00 56.10 56.61 1xi0 s TRP 37 Cb -0.01 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.30 1xi0 s TRP 37 CO -0.02 0.72 -0.02 -1.54 0.02 0.00 0.00 176.95 176.12 1xi0 s SER 38 N -1.00 1.06 -0.00 2.95 1.04 0.50 -4.98 113.70 113.27 1xi0 s SER 38 Ca 0.15 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 1xi0 s SER 38 Cb -0.12 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 1xi0 s SER 38 CO 0.04 -0.55 0.02 -0.70 0.98 0.00 0.00 173.24 173.03 1xi0 s GLU 39 N -3.90 0.08 -0.28 4.02 2.12 -1.26 -0.88 118.70 118.61 1xi0 s GLU 39 Ca 0.19 -0.08 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 1xi0 s GLU 39 Cb 0.06 0.03 0.12 0.00 0.26 0.00 0.00 34.13 34.61 1xi0 s GLU 39 CO -0.00 -0.01 1.04 0.00 -0.54 0.00 0.00 175.26 175.74 1xi0 s ALA 40 N -0.26 -1.97 -1.46 6.30 0.00 -0.35 -4.96 121.76 119.05 1xi0 s ALA 40 Ca -0.03 1.86 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 1xi0 s ALA 40 Cb -0.02 -1.41 0.14 0.00 0.00 0.00 0.00 23.12 21.82 1xi0 s ALA 40 CO -0.00 -0.24 0.59 0.27 0.00 0.00 0.00 175.76 176.38 1xi0 n ASN 41 N 2.14 -2.95 -0.25 0.00 6.94 -1.26 0.09 115.26 119.98 1xi0 n ASN 41 Ca -0.12 -0.73 -0.03 0.00 -0.02 0.00 0.00 54.58 53.67 1xi0 n ASN 41 Cb 0.56 -2.46 -0.01 0.00 -2.36 0.00 0.00 39.78 35.51 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 -1.17 0.62 3.37 4.83 0.00 -1.26 -5.03 105.19 106.54 1xi0 n GLY 42 Ca 0.05 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.97 2.32 -0.22 4.61 0.00 0.11 -4.65 121.76 121.96 1xi0 s ALA 43 Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1xi0 s ALA 43 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1xi0 s ALA 43 CO 0.00 0.54 0.01 -1.01 0.00 0.00 0.00 175.76 175.30 1xi0 s HIS 44 N -0.88 3.04 -0.08 0.00 3.76 0.57 -1.21 115.29 120.48 1xi0 s HIS 44 Ca 0.13 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 1xi0 s HIS 44 Cb -0.10 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 1xi0 s HIS 44 CO 0.03 -0.34 -0.14 0.99 -0.85 0.00 0.00 174.74 174.43 1xi0 s THR 45 N 1.30 3.08 -0.34 1.30 2.01 -0.06 0.99 115.64 123.91 1xi0 s THR 45 Ca 0.04 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.31 1xi0 s THR 45 Cb -0.15 -2.23 0.06 0.00 0.01 0.00 0.00 72.50 70.20 1xi0 s THR 45 CO 0.01 0.57 0.08 -0.22 -0.69 0.00 0.00 174.62 174.38 1xi0 s LEU 46 N -0.38 4.39 -0.17 4.42 2.96 -0.39 -0.37 118.68 129.14 1xi0 s LEU 46 Ca 0.04 -1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 52.34 1xi0 s LEU 46 Cb -0.12 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1xi0 s LEU 46 CO 0.02 -0.36 0.37 -0.89 -1.32 0.00 0.00 176.35 174.17 1xi0 s THR 47 N 1.26 5.24 -0.04 3.68 2.01 -0.68 -1.41 115.64 125.70 1xi0 s THR 47 Ca -0.01 0.69 0.06 0.00 0.31 0.00 0.00 61.69 62.74 1xi0 s THR 47 Cb -0.21 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 1xi0 s THR 47 CO -0.01 0.33 -0.20 -1.10 -0.69 0.00 0.00 174.62 172.94 1xi0 s GLN 48 N 0.81 2.37 0.00 4.92 -0.21 0.41 -1.47 119.66 126.48 1xi0 s GLN 48 Ca 0.19 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.75 1xi0 s GLN 48 Cb -0.14 -2.23 -0.07 0.00 1.00 0.00 0.00 33.01 31.57 1xi0 s GLN 48 CO 0.07 0.57 1.88 0.41 -2.12 0.00 0.00 175.29 176.09 1xi0 n GLY 49 N 2.45 2.08 0.00 3.09 0.00 -0.66 0.44 105.19 112.59 1xi0 n GLY 49 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 2.02 0.01 3.87 -0.02 0.00 -1.25 -4.49 105.19 105.32 1xi0 n GLY 50 Ca 0.11 -2.28 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 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 -4.00 6.65 0.00 1.61 0.15 -1.26 -4.52 113.70 112.32 1xi0 s SER 51 Ca 0.00 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.73 1xi0 s SER 51 Cb 0.00 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1xi0 s SER 51 CO 0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1xi0 n GLY 52 N -0.53 1.28 1.45 9.45 0.00 -0.41 -4.54 105.19 111.89 1xi0 n GLY 52 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.01 0.00 -3.11 2.61 5.66 -1.22 -4.40 114.28 112.81 1xi0 n THR 53 Ca 0.00 -1.07 0.00 0.00 -3.05 0.00 0.00 64.05 59.93 1xi0 n THR 53 Cb 0.00 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1xi0 n THR 53 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1xi0 n SER 54 N -2.38 0.00 -3.51 1.09 3.41 -1.26 -1.51 113.62 109.46 1xi0 n SER 54 Ca 0.03 -0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 57.80 1xi0 n SER 54 Cb 0.27 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 1xi0 n SER 54 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xi0 s GLY 55 N -1.39 -0.51 -0.01 5.00 0.00 0.35 -0.97 107.32 109.79 1xi0 s GLY 55 Ca 0.00 0.32 0.03 0.00 0.00 0.00 0.00 44.72 45.07 1xi0 s GLY 55 CO 0.00 0.10 -0.11 0.14 0.00 0.00 0.00 173.10 173.23 1xi0 s VAL 56 N -3.78 0.87 -0.14 1.40 1.01 -0.48 -1.59 120.40 117.69 1xi0 s VAL 56 Ca 0.03 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.54 1xi0 s VAL 56 Cb -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1xi0 s VAL 56 CO -0.09 0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.43 1xi0 s LEU 57 N -0.12 3.04 -0.17 3.92 1.43 -0.70 -1.42 118.68 124.68 1xi0 s LEU 57 Ca 0.02 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1xi0 s LEU 57 Cb -0.06 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1xi0 s LEU 57 CO -0.00 0.19 -0.07 -0.60 0.23 0.00 0.00 176.35 176.09 1xi0 s ARG 58 N 0.23 3.47 0.11 1.70 3.52 -0.48 -0.66 118.95 126.85 1xi0 s ARG 58 Ca -0.05 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 1xi0 s ARG 58 Cb -0.14 -2.84 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1xi0 s ARG 58 CO 0.04 0.09 0.02 -0.06 -0.81 0.00 0.00 175.30 174.57 1xi0 s PHE 59 N 0.72 2.99 -0.06 5.12 0.40 0.12 0.11 117.98 127.39 1xi0 s PHE 59 Ca -0.03 -0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1xi0 s PHE 59 Cb -0.15 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1xi0 s PHE 59 CO 0.02 0.49 0.01 -1.17 0.70 0.00 0.00 175.22 175.27 1xi0 s LEU 60 N -2.48 0.71 0.74 -0.37 0.20 0.50 -1.71 118.68 116.27 1xi0 s LEU 60 Ca 0.27 -0.05 -0.07 0.00 0.69 0.00 0.00 54.13 54.97 1xi0 s LEU 60 Cb -0.11 -0.36 0.10 0.00 -0.43 0.00 0.00 46.19 45.39 1xi0 s LEU 60 CO 0.19 -0.17 1.05 -0.94 -0.29 0.00 0.00 176.35 176.19 1xi0 s SER 61 N 1.71 4.46 0.00 3.68 1.04 -0.49 -0.44 113.70 123.66 1xi0 s SER 61 Ca 0.01 0.24 0.25 0.00 0.48 0.00 0.00 55.95 56.93 1xi0 s SER 61 Cb -0.13 -0.75 1.32 0.00 0.10 0.00 0.00 66.02 66.56 1xi0 s SER 61 CO -0.04 -1.82 1.86 0.35 0.98 0.00 0.00 173.24 174.57 1xi0 n THR 62 N -3.02 0.16 -1.01 2.02 -2.24 0.73 -2.53 114.28 108.39 1xi0 n THR 62 Ca 0.11 0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.94 1xi0 n THR 62 Cb 0.60 -0.62 0.33 0.00 -2.10 0.00 0.00 70.33 68.54 1xi0 n THR 62 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xi0 n LYS 63 N -1.25 3.94 -1.23 -0.78 4.01 -1.26 -4.93 118.16 116.67 1xi0 n LYS 63 Ca 0.13 -3.09 -0.08 0.00 -0.51 0.00 0.00 58.31 54.76 1xi0 n LYS 63 Cb 0.19 -2.16 -0.03 0.00 -0.51 0.00 0.00 35.03 32.51 1xi0 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xi0 n GLY 64 N 0.02 0.89 3.81 0.72 0.00 -1.05 -5.00 105.19 104.59 1xi0 n GLY 64 Ca 0.33 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.37 4.31 -0.15 1.61 2.12 -1.26 -4.86 118.70 118.10 1xi0 s GLU 65 Ca 0.00 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.30 1xi0 s GLU 65 Cb 0.00 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.63 1xi0 s GLU 65 CO 0.00 0.33 -0.12 1.03 -0.54 0.00 0.00 175.26 175.96 1xi0 s ARG 66 N -2.14 2.09 0.06 4.30 0.52 -1.26 -1.40 118.95 121.12 1xi0 s ARG 66 Ca 0.47 -0.55 0.04 0.00 -0.52 0.00 0.00 55.73 55.17 1xi0 s ARG 66 Cb -0.16 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 1xi0 s ARG 66 CO 0.21 -0.28 -0.13 0.42 0.02 0.00 0.00 175.30 175.54 1xi0 s ILE 67 N 1.52 0.97 0.06 1.52 1.01 -0.69 -1.60 121.20 123.98 1xi0 s ILE 67 Ca 0.04 -1.25 0.07 0.00 0.00 0.00 0.00 60.65 59.51 1xi0 s ILE 67 Cb -0.13 -0.96 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1xi0 s ILE 67 CO -0.10 -0.27 -0.20 0.42 0.00 0.00 0.00 174.94 174.79 1xi0 s THR 68 N -1.31 1.64 -0.19 2.92 -4.23 -0.84 0.16 115.64 113.79 1xi0 s THR 68 Ca -0.04 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 1xi0 s THR 68 Cb -0.10 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.32 1xi0 s THR 68 CO 0.02 0.12 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.36 1xi0 s VAL 69 N -0.90 1.96 -0.17 2.29 1.01 0.17 -2.17 120.40 122.59 1xi0 s VAL 69 Ca 0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1xi0 s VAL 69 Cb -0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1xi0 s VAL 69 CO 0.02 0.40 0.12 0.00 0.00 0.00 0.00 175.10 175.64 1xi0 s ALA 70 N 1.30 3.67 -0.02 5.51 0.00 0.62 -1.71 121.76 131.13 1xi0 s ALA 70 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1xi0 s ALA 70 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 23.12 20.95 1xi0 s ALA 70 CO -0.11 0.31 0.01 0.08 0.00 0.00 0.00 175.76 176.04 1xi0 s VAL 71 N -0.07 0.07 0.02 0.00 1.01 -0.62 -1.67 120.40 119.14 1xi0 s VAL 71 Ca 0.09 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1xi0 s VAL 71 Cb -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.12 1xi0 s VAL 71 CO 0.00 0.09 0.07 0.61 0.00 0.00 0.00 175.10 175.88 1xi0 n GLY 72 N 3.86 1.33 3.05 4.51 0.00 -1.14 -0.50 105.19 116.30 1xi0 n GLY 72 Ca -0.23 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.58 1.49 -0.22 1.61 1.01 -0.57 -2.03 120.40 119.12 1xi0 s VAL 73 Ca 0.02 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1xi0 s VAL 73 Cb -0.00 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.03 1xi0 s VAL 73 CO 0.00 0.44 -0.11 -2.28 0.00 0.00 0.00 175.10 173.15 1xi0 s HIS 74 N 1.02 2.94 -1.43 5.22 5.04 -0.54 -1.29 115.29 126.25 1xi0 s HIS 74 Ca -0.06 -1.48 -0.08 0.00 -1.54 0.00 0.00 55.06 51.91 1xi0 s HIS 74 Cb -0.15 -2.01 0.05 0.00 0.04 0.00 0.00 32.58 30.51 1xi0 s HIS 74 CO -0.02 -0.72 0.86 0.27 -2.34 0.00 0.00 174.74 172.79 1xi0 n ASN 75 N 4.67 -3.22 -2.94 9.88 0.23 -1.26 -1.96 115.26 120.66 1xi0 n ASN 75 Ca -0.19 -0.79 -0.22 0.00 -0.53 0.00 0.00 54.58 52.85 1xi0 n ASN 75 Cb 0.49 -3.98 0.03 0.00 -2.08 0.00 0.00 39.78 34.24 1xi0 n ASN 75 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xi0 n TYR 76 N -4.52 -1.82 -3.59 -2.53 4.11 -1.26 -4.97 117.16 102.59 1xi0 n TYR 76 Ca -0.11 0.44 -0.08 0.00 -0.00 0.00 0.00 57.90 58.14 1xi0 n TYR 76 Cb 0.59 -4.36 -0.09 0.00 -0.00 0.00 0.00 39.34 35.49 1xi0 n TYR 76 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 1xi0 s LYS 77 N -5.61 0.33 0.89 -3.48 0.00 -0.83 -4.95 119.74 106.09 1xi0 s LYS 77 Ca 0.26 0.93 -0.11 0.00 0.00 0.00 0.00 55.97 57.05 1xi0 s LYS 77 Cb -0.12 0.17 0.12 0.00 0.00 0.00 0.00 37.83 38.00 1xi0 s LYS 77 CO 0.32 -0.34 1.06 2.89 0.00 0.00 0.00 175.35 179.28 1xi0 n ARG 78 N 5.39 -0.28 -4.04 1.78 0.00 -1.26 -1.46 116.66 116.78 1xi0 n ARG 78 Ca -0.07 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.66 1xi0 n ARG 78 Cb 0.50 -2.32 -0.07 0.00 -0.00 0.00 0.00 32.46 30.57 1xi0 n ARG 78 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1xi0 s TRP 79 N -2.47 0.56 0.22 2.89 1.48 -0.86 -3.32 118.94 117.44 1xi0 s TRP 79 Ca 0.67 -0.89 -0.18 0.00 -1.06 0.00 0.00 56.10 54.64 1xi0 s TRP 79 Cb -0.24 -0.03 0.03 0.00 -1.16 0.00 0.00 33.47 32.06 1xi0 s TRP 79 CO 0.57 -0.86 0.57 0.00 -4.06 0.00 0.00 176.95 173.18 1xi0 s ASP 81 N -2.89 -0.47 -0.04 0.00 2.15 -0.67 -4.74 116.67 110.01 1xi0 s ASP 81 Ca 0.10 0.54 0.02 0.00 0.43 0.00 0.00 52.55 53.64 1xi0 s ASP 81 Cb -0.02 0.41 0.01 0.00 -0.30 0.00 0.00 42.92 43.03 1xi0 s ASP 81 CO -0.00 -0.42 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.81 1xi0 s VAL 82 N -1.07 0.77 -0.13 1.11 1.01 -1.26 -0.28 120.40 120.55 1xi0 s VAL 82 Ca -0.05 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1xi0 s VAL 82 Cb -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1xi0 s VAL 82 CO 0.04 0.26 -0.22 -0.69 0.00 0.00 0.00 175.10 174.49 1xi0 s VAL 83 N 0.58 2.06 0.46 2.92 1.01 -0.92 -4.99 120.40 121.52 1xi0 s VAL 83 Ca -0.09 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 60.98 1xi0 s VAL 83 Cb -0.13 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1xi0 s VAL 83 CO 0.01 0.55 0.46 -0.89 0.00 0.00 0.00 175.10 175.23 1xi0 s THR 84 N 0.73 2.48 -1.62 3.92 2.01 -1.26 -1.99 115.64 119.91 1xi0 s THR 84 Ca -0.09 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.47 1xi0 s THR 84 Cb -0.16 -2.76 0.12 0.00 0.01 0.00 0.00 72.50 69.71 1xi0 s THR 84 CO -0.00 0.00 0.84 0.61 -0.69 0.00 0.00 174.62 175.38 1xi0 n GLY 85 N -1.71 -0.45 3.78 4.40 0.00 -1.22 -4.93 105.19 105.07 1xi0 n GLY 85 Ca 0.05 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.25 3.84 0.61 0.99 1.43 -0.63 -4.99 118.68 112.69 1xi0 s LEU 86 Ca 0.66 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.77 1xi0 s LEU 86 Cb -0.35 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.35 1xi0 s LEU 86 CO 0.89 -1.03 1.04 -0.54 0.23 0.00 0.00 176.35 176.94 1xi0 s LYS 87 N -3.11 3.37 0.43 1.70 1.02 -1.26 -4.51 119.74 117.38 1xi0 s LYS 87 Ca 0.69 1.03 0.09 0.00 0.02 0.00 0.00 55.97 57.80 1xi0 s LYS 87 Cb -0.23 -2.05 0.92 0.00 -0.52 0.00 0.00 37.83 35.95 1xi0 s LYS 87 CO 0.27 -0.75 2.07 -1.35 -0.92 0.00 0.00 175.35 174.67 1xi0 h PRO 88 N 0.13 0.46 -0.53 -1.68 0.11 -1.98 -0.28 132.00 128.23 1xi0 h PRO 88 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xi0 h PRO 88 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xi0 h PRO 88 CO 0.59 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.28 1xi0 n ASP 89 N -4.48 2.87 -3.74 -2.05 5.75 -1.26 -4.44 116.55 109.20 1xi0 n ASP 89 Ca 0.03 -2.03 -0.40 0.00 -0.01 0.00 0.00 54.79 52.38 1xi0 n ASP 89 Cb 0.08 -0.36 0.01 0.00 -1.03 0.00 0.00 41.12 39.81 1xi0 n ASP 89 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1xi0 n GLU 90 N 1.02 4.78 -1.27 0.11 2.13 -0.12 -4.94 120.64 122.35 1xi0 n GLU 90 Ca 0.18 -4.64 -0.29 0.00 0.66 0.00 0.00 57.16 53.07 1xi0 n GLU 90 Cb 0.46 -2.46 0.20 0.00 0.27 0.00 0.00 31.44 29.90 1xi0 n GLU 90 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xi0 s THR 91 N -3.61 1.84 0.47 6.31 -4.23 -1.26 -4.60 115.64 110.56 1xi0 s THR 91 Ca 0.36 0.00 0.37 0.00 -1.18 0.00 0.00 61.69 61.24 1xi0 s THR 91 Cb 0.13 -2.58 0.39 0.00 1.34 0.00 0.00 72.50 71.78 1xi0 s THR 91 CO -0.02 0.00 2.21 0.00 -0.54 0.00 0.00 174.62 176.26 1xi0 h ALA 92 N -2.09 1.11 0.00 3.99 0.00 -1.95 0.41 119.26 120.72 1xi0 h ALA 92 Ca -0.49 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1xi0 h ALA 92 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1xi0 h ALA 92 CO 0.47 0.03 -0.39 -0.07 0.00 0.00 0.00 179.25 179.30 1xi0 h LEU 93 N 0.00 0.00 0.14 0.00 3.38 -1.98 0.55 115.31 117.40 1xi0 h LEU 93 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1xi0 h LEU 93 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xi0 h LEU 93 CO 0.00 0.39 -1.08 0.58 0.09 0.00 0.00 178.44 178.43 1xi0 h VAL 94 N 0.00 1.32 0.04 1.22 2.07 -1.30 -3.39 116.25 116.20 1xi0 h VAL 94 Ca -0.00 -2.50 -0.00 0.00 0.82 0.00 0.00 66.70 65.02 1xi0 h VAL 94 Cb 0.95 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 1xi0 h VAL 94 CO 0.05 0.72 -0.02 0.40 0.02 0.00 0.00 177.57 178.74 1xi0 h ILE 95 N -0.32 1.37 -0.99 4.57 5.03 -1.15 -3.36 117.51 122.65 1xi0 h ILE 95 Ca -0.21 -1.48 0.18 0.00 -0.12 0.00 0.00 64.86 63.23 1xi0 h ILE 95 Cb 1.72 2.33 -0.10 0.00 -3.03 0.00 0.00 36.82 37.73 1xi0 h ILE 95 CO 0.12 0.36 0.60 -1.13 -0.68 0.00 0.00 178.15 177.43 1xi0 h ASN 96 N -0.72 0.78 0.63 1.72 -0.73 -1.11 -2.35 115.58 113.81 1xi0 h ASN 96 Ca -0.01 0.09 -0.08 0.00 1.87 0.00 0.00 56.30 58.18 1xi0 h ASN 96 Cb 0.64 -0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 1xi0 h ASN 96 CO 0.01 0.29 -0.36 -0.65 -0.37 0.00 0.00 177.43 176.35 1xi0 h PRO 97 N 0.78 0.00 0.00 6.67 0.11 -1.76 -3.17 132.00 134.63 1xi0 h PRO 97 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1xi0 h PRO 97 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1xi0 h PRO 97 CO -0.37 0.36 0.00 1.04 -0.21 0.00 0.00 178.00 178.82 1xi0 n GLN 98 N -3.71 0.06 0.00 1.05 6.02 -0.88 -1.18 117.38 118.74 1xi0 n GLN 98 Ca -0.01 0.47 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 1xi0 n GLN 98 Cb 0.45 -1.66 0.51 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.78 0.00 -4.48 1.08 4.02 -1.20 0.78 117.16 115.59 1xi0 n TYR 99 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.66 1xi0 n TYR 99 Cb 0.07 -0.34 -0.09 0.00 -0.02 0.00 0.00 39.34 38.96 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 -2.86 1.80 -1.68 -0.72 1.51 -0.32 -3.59 117.35 111.48 1xi0 s TYR 100 Ca 0.17 -1.21 -0.18 0.00 -1.01 0.00 0.00 57.07 54.85 1xi0 s TYR 100 Cb 0.19 -1.15 0.15 0.00 -0.11 0.00 0.00 41.96 41.04 1xi0 s TYR 100 CO 0.57 -0.25 0.79 0.09 -1.11 0.00 0.00 175.55 175.64 1xi0 n ASN 101 N -1.09 -3.32 -3.99 2.29 3.02 -1.26 -0.13 115.26 110.78 1xi0 n ASN 101 Ca -0.04 -0.99 -0.28 0.00 -0.03 0.00 0.00 54.58 53.23 1xi0 n ASN 101 Cb 0.65 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 36.96 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 -2.68 -1.52 -0.04 6.41 3.02 -1.26 -4.83 115.26 114.36 1xi0 n ASN 102 Ca 0.06 -0.97 0.14 0.00 -0.03 0.00 0.00 54.58 53.78 1xi0 n ASN 102 Cb 0.50 -3.17 0.63 0.00 -0.61 0.00 0.00 39.78 37.13 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 -1.79 -1.20 0.00 7.41 0.00 0.81 -4.91 105.19 105.51 1xi0 n GLY 103 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 1.35 1.07 0.10 -0.02 0.00 -0.90 -4.63 105.19 102.16 1xi0 n GLY 104 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.56 -0.06 1.61 1.74 0.23 -4.74 116.66 116.99 1xi0 n ARG 105 Ca 0.00 -1.86 0.15 0.00 -0.77 0.00 0.00 57.85 55.37 1xi0 n ARG 105 Cb 0.00 -1.13 0.57 0.00 -1.02 0.00 0.00 32.46 30.88 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 0.00 0.24 0.08 0.55 3.45 -1.61 -2.23 116.42 116.89 1xi0 h ASP 106 Ca 0.00 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.49 1xi0 h ASP 106 Cb 0.89 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 39.58 1xi0 h ASP 106 CO 0.00 0.13 -0.33 1.88 -1.57 0.00 0.00 179.24 179.35 1xi0 h TYR 107 N 0.26 -0.91 -0.51 4.55 0.05 -1.87 -1.93 116.97 116.61 1xi0 h TYR 107 Ca 0.28 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.18 1xi0 h TYR 107 Cb 0.75 0.39 -0.08 0.00 1.01 0.00 0.00 36.73 38.81 1xi0 h TYR 107 CO -0.00 -0.43 0.05 -0.24 -1.05 0.00 0.00 178.16 176.49 1xi0 h VAL 108 N -0.53 0.65 -0.83 -2.88 3.04 -1.77 -2.10 116.25 111.83 1xi0 h VAL 108 Ca 0.04 -0.06 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1xi0 h VAL 108 Cb 0.58 0.46 -0.04 0.00 -2.01 0.00 0.00 31.29 30.28 1xi0 h VAL 108 CO -0.22 0.03 0.55 -0.09 -1.01 0.00 0.00 177.57 176.82 1xi0 h ARG 109 N 0.17 1.07 0.00 4.17 2.43 -1.46 -2.33 114.38 118.43 1xi0 h ARG 109 Ca 0.26 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1xi0 h ARG 109 Cb 0.38 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1xi0 h ARG 109 CO -0.38 0.71 -0.20 0.93 -1.51 0.00 0.00 179.97 179.52 1xi0 h GLU 110 N 1.10 0.00 0.00 0.20 5.08 -0.69 -2.16 114.58 118.11 1xi0 h GLU 110 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1xi0 h GLU 110 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1xi0 h GLU 110 CO -0.08 0.20 0.00 0.36 -1.00 0.00 0.00 179.01 178.49 1xi0 n LYS 111 N -4.10 0.01 -4.06 2.33 2.85 -0.88 -4.88 118.16 109.44 1xi0 n LYS 111 Ca -0.02 0.38 -0.43 0.00 -1.05 0.00 0.00 58.31 57.18 1xi0 n LYS 111 Cb 0.27 -1.53 0.02 0.00 -0.65 0.00 0.00 35.03 33.14 1xi0 n LYS 111 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1xi0 n GLN 112 N -1.56 -0.27 -2.50 -1.58 6.02 -0.82 -4.87 117.38 111.81 1xi0 n GLN 112 Ca 0.02 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 1xi0 n GLN 112 Cb 0.09 -2.09 -0.04 0.00 1.02 0.00 0.00 30.24 29.22 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 -7.27 4.19 -0.02 1.08 1.43 -1.21 -4.62 118.68 112.26 1xi0 s LEU 113 Ca 0.45 2.11 0.14 0.00 -1.03 0.00 0.00 54.13 55.80 1xi0 s LEU 113 Cb -0.25 -4.10 0.42 0.00 0.03 0.00 0.00 46.19 42.29 1xi0 s LEU 113 CO 0.88 -0.49 1.35 0.00 0.23 0.00 0.00 176.35 178.33 1xi0 n ALA 114 N 0.08 2.32 -3.64 4.21 0.00 -1.26 -3.02 120.51 119.19 1xi0 n ALA 114 Ca 0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 53.44 52.18 1xi0 n ALA 114 Cb 0.49 -0.59 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.17 0.06 -0.14 0.00 -1.05 -1.26 -1.39 118.70 113.76 1xi0 s GLU 115 Ca 0.32 0.02 -0.29 0.00 -0.15 0.00 0.00 54.97 54.87 1xi0 s GLU 115 Cb 0.18 0.03 0.08 0.00 -0.44 0.00 0.00 34.13 33.97 1xi0 s GLU 115 CO 0.20 -0.02 0.73 -0.47 0.95 0.00 0.00 175.26 176.65 1xi0 s TYR 116 N -0.88 -0.68 0.04 4.83 5.04 -0.10 -4.96 117.35 120.63 1xi0 s TYR 116 Ca 0.09 1.39 -0.05 0.00 -2.44 0.00 0.00 57.07 56.06 1xi0 s TYR 116 Cb -0.01 0.36 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 1xi0 s TYR 116 CO -0.09 -0.50 0.09 0.45 -1.34 0.00 0.00 175.55 174.16 1xi0 s SER 117 N -0.56 0.20 0.09 4.32 0.15 -1.26 -0.76 113.70 115.88 1xi0 s SER 117 Ca -0.06 -0.58 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 1xi0 s SER 117 Cb -0.02 0.23 0.08 0.00 -1.71 0.00 0.00 66.02 64.60 1xi0 s SER 117 CO 0.06 -0.53 0.86 0.54 1.20 0.00 0.00 173.24 175.37 1xi0 s VAL 118 N -2.79 0.00 -0.14 4.45 0.11 -1.05 -5.02 120.40 115.96 1xi0 s VAL 118 Ca -0.03 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1xi0 s VAL 118 Cb -0.00 -1.40 0.03 0.00 -1.53 0.00 0.00 36.38 33.48 1xi0 s VAL 118 CO -0.05 0.00 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.76 1xi0 s THR 119 N -3.31 1.11 0.82 5.04 2.01 -1.26 -1.98 115.64 118.07 1xi0 s THR 119 Ca 0.07 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1xi0 s THR 119 Cb -0.01 -1.19 0.09 0.00 0.01 0.00 0.00 72.50 71.40 1xi0 s THR 119 CO -0.05 0.26 1.18 -0.94 -0.69 0.00 0.00 174.62 174.39 1xi0 s SER 120 N 1.66 3.54 0.46 3.53 1.04 -0.03 -4.80 113.70 119.11 1xi0 s SER 120 Ca 0.03 2.28 0.15 0.00 0.48 0.00 0.00 55.95 58.89 1xi0 s SER 120 Cb -0.14 -2.58 1.12 0.00 0.10 0.00 0.00 66.02 64.52 1xi0 s SER 120 CO -0.08 -2.70 2.02 0.00 0.98 0.00 0.00 173.24 173.47 1xi0 h ALA 121 N -1.10 2.06 0.00 5.32 0.00 -1.95 0.71 119.26 124.30 1xi0 h ALA 121 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xi0 h ALA 121 Cb 1.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xi0 h ALA 121 CO 0.46 -0.16 0.00 0.44 0.00 0.00 0.00 179.25 179.98 1xi0 n ILE 122 N -4.47 1.21 -0.27 0.00 -0.00 -1.26 -4.85 119.36 109.72 1xi0 n ILE 122 Ca 0.07 0.39 0.00 0.00 -0.00 0.00 0.00 62.75 63.20 1xi0 n ILE 122 Cb 0.32 -1.29 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 1xi0 n ILE 122 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1xi0 n GLY 123 N -0.59 0.94 3.69 3.28 0.00 0.25 -5.09 105.19 107.67 1xi0 n GLY 123 Ca 0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 5.20 -0.11 2.61 2.01 -1.23 -4.85 115.64 117.27 1xi0 s THR 124 Ca 0.00 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 1xi0 s THR 124 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1xi0 s THR 124 CO 0.00 0.44 0.12 -0.75 -0.69 0.00 0.00 174.62 173.74 1xi0 s LYS 125 N 0.41 3.37 -0.04 4.92 2.20 0.14 -0.85 119.74 129.88 1xi0 s LYS 125 Ca 0.06 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1xi0 s LYS 125 Cb -0.12 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1xi0 s LYS 125 CO -0.01 0.76 -0.03 0.08 -0.36 0.00 0.00 175.35 175.80 1xi0 s VAL 126 N -1.02 0.42 -0.07 4.02 1.01 -0.84 -1.13 120.40 122.79 1xi0 s VAL 126 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1xi0 s VAL 126 Cb -0.12 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1xi0 s VAL 126 CO 0.04 0.21 -0.14 -1.83 0.00 0.00 0.00 175.10 173.38 1xi0 s GLU 127 N 1.06 1.89 -0.20 2.72 -1.05 -0.02 -2.52 118.70 120.57 1xi0 s GLU 127 Ca -0.09 -0.48 -0.04 0.00 -0.15 0.00 0.00 54.97 54.21 1xi0 s GLU 127 Cb -0.14 -1.53 -0.01 0.00 -0.44 0.00 0.00 34.13 32.01 1xi0 s GLU 127 CO -0.01 0.05 -0.04 0.08 0.95 0.00 0.00 175.26 176.29 1xi0 s VAL 128 N 0.61 3.51 -0.08 1.83 1.01 0.06 -0.34 120.40 126.99 1xi0 s VAL 128 Ca -0.15 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1xi0 s VAL 128 Cb -0.16 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1xi0 s VAL 128 CO 0.04 0.44 -0.09 0.54 0.00 0.00 0.00 175.10 176.04 1xi0 s VAL 129 N 1.14 0.97 -0.48 2.92 0.11 -0.38 -0.93 120.40 123.76 1xi0 s VAL 129 Ca 0.02 -0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 58.48 1xi0 s VAL 129 Cb -0.15 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.78 1xi0 s VAL 129 CO -0.00 0.34 1.03 -0.31 -3.33 0.00 0.00 175.10 172.82 1xi0 s TYR 130 N 1.23 2.85 -0.33 1.54 1.51 -0.48 0.14 117.35 123.80 1xi0 s TYR 130 Ca -0.04 0.49 0.25 0.00 -1.01 0.00 0.00 57.07 56.75 1xi0 s TYR 130 Cb -0.14 -4.20 0.51 0.00 -0.11 0.00 0.00 41.96 38.02 1xi0 s TYR 130 CO -0.03 -1.22 1.67 1.79 -1.11 0.00 0.00 175.55 176.65 1xi0 h THR 131 N 6.15 0.03 -2.66 -0.71 1.35 -1.02 -3.35 112.91 112.70 1xi0 h THR 131 Ca -0.24 -0.96 -0.60 0.00 -0.55 0.00 0.00 66.41 64.07 1xi0 h THR 131 Cb 1.07 1.93 -0.39 0.00 -1.73 0.00 0.00 68.15 69.02 1xi0 h THR 131 CO 1.08 0.02 -0.84 0.68 -0.25 0.00 0.00 175.52 176.21 1xi0 s VAL 132 N -3.28 0.88 -2.08 6.82 -7.23 -0.73 -4.92 120.40 109.86 1xi0 s VAL 132 Ca 0.06 -2.62 0.15 0.00 -1.81 0.00 0.00 61.98 57.76 1xi0 s VAL 132 Cb 0.06 -1.61 0.39 0.00 0.56 0.00 0.00 36.38 35.77 1xi0 s VAL 132 CO 0.65 -1.07 1.36 0.00 -0.31 0.00 0.00 175.10 175.74 1xi0 n ALA 133 N 3.18 2.45 -2.36 1.32 0.00 -1.26 -1.63 120.51 122.21 1xi0 n ALA 133 Ca 0.19 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.83 1xi0 n ALA 133 Cb 0.40 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.52 0.73 0.26 0.00 1.03 -1.26 -4.58 118.70 113.36 1xi0 s GLU 134 Ca 0.29 -1.16 0.00 0.00 0.03 0.00 0.00 54.97 54.13 1xi0 s GLU 134 Cb 0.15 -0.20 0.00 0.00 -0.80 0.00 0.00 34.13 33.28 1xi0 s GLU 134 CO 0.21 -0.00 0.00 0.41 -1.33 0.00 0.00 175.26 174.55 1xi0 n GLY 135 N 0.39 -1.81 1.10 -3.83 0.00 -1.26 -4.56 105.19 95.23 1xi0 n GLY 135 Ca -0.15 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.08 1xi0 n GLY 135 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xi0 n ASN 136 N 0.26 3.49 -3.40 1.61 3.02 -1.26 -4.60 115.26 114.37 1xi0 n ASN 136 Ca 0.00 -1.97 -0.26 0.00 -0.03 0.00 0.00 54.58 52.32 1xi0 n ASN 136 Cb 0.00 -0.33 -0.09 0.00 -0.61 0.00 0.00 39.78 38.75 1xi0 n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xi0 n ASN 137 N 1.33 0.63 -4.80 6.41 3.02 -1.26 -1.50 115.26 119.09 1xi0 n ASN 137 Ca 0.19 -2.70 -0.36 0.00 -0.03 0.00 0.00 54.58 51.68 1xi0 n ASN 137 Cb 0.56 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 1xi0 n ASN 137 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xi0 s LEU 138 N -0.80 4.33 0.09 3.41 1.02 0.67 -4.92 118.68 122.49 1xi0 s LEU 138 Ca 0.33 1.59 0.06 0.00 0.02 0.00 0.00 54.13 56.14 1xi0 s LEU 138 Cb 0.08 -3.79 -0.03 0.00 0.02 0.00 0.00 46.19 42.47 1xi0 s LEU 138 CO -0.15 -0.02 -0.16 -1.61 0.02 0.00 0.00 176.35 174.43 1xi0 s GLU 139 N -2.05 0.95 0.07 1.70 2.02 -0.65 -0.79 118.70 119.96 1xi0 s GLU 139 Ca 0.47 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 54.15 1xi0 s GLU 139 Cb -0.17 -0.99 0.06 0.00 0.10 0.00 0.00 34.13 33.12 1xi0 s GLU 139 CO 0.22 0.22 0.55 0.00 0.02 0.00 0.00 175.26 176.27 1xi0 s ALA 140 N -1.43 -1.41 -0.09 5.21 0.00 -0.30 -0.34 121.76 123.39 1xi0 s ALA 140 Ca 0.03 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1xi0 s ALA 140 Cb -0.09 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1xi0 s ALA 140 CO 0.03 -0.57 -0.11 -0.80 0.00 0.00 0.00 175.76 174.31 1xi0 s ASN 141 N -2.16 4.29 -0.27 0.00 0.01 0.12 -2.40 114.94 114.53 1xi0 s ASN 141 Ca -0.04 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.85 1xi0 s ASN 141 Cb -0.00 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.35 1xi0 s ASN 141 CO -0.04 0.28 0.14 -0.69 -1.51 0.00 0.00 177.10 175.28 1xi0 s VAL 142 N -0.32 4.85 -0.10 1.60 1.01 0.10 -1.25 120.40 126.30 1xi0 s VAL 142 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1xi0 s VAL 142 Cb -0.13 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1xi0 s VAL 142 CO 0.02 0.26 -0.21 -0.63 0.00 0.00 0.00 175.10 174.54 1xi0 s ILE 143 N 1.69 2.32 -0.06 2.22 1.09 0.53 0.66 121.20 129.65 1xi0 s ILE 143 Ca 0.07 -0.94 0.02 0.00 -1.10 0.00 0.00 60.65 58.70 1xi0 s ILE 143 Cb -0.16 -1.90 -0.03 0.00 -1.06 0.00 0.00 42.46 39.32 1xi0 s ILE 143 CO 0.08 0.56 -0.12 -0.36 -0.10 0.00 0.00 174.94 175.00 1xi0 s PHE 144 N 0.19 2.79 0.00 3.97 0.40 0.19 -0.84 117.98 124.68 1xi0 s PHE 144 Ca -0.13 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 1xi0 s PHE 144 Cb -0.16 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.70 1xi0 s PHE 144 CO 0.07 0.22 0.00 -1.13 0.70 0.00 0.00 175.22 175.08