#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhs s ARG 2 N 0.00 3.52 0.05 2.12 0.52 -1.26 -0.48 118.95 123.41 1xhs s ARG 2 Ca 0.00 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.65 1xhs s ARG 2 Cb 0.00 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1xhs s ARG 2 CO 0.00 0.22 -0.14 -1.50 0.02 0.00 0.00 175.30 173.91 1xhs s ILE 3 N 0.36 1.08 -0.23 1.52 2.07 -0.16 -1.89 121.20 123.95 1xhs s ILE 3 Ca -0.08 -1.06 -0.08 0.00 -1.41 0.00 0.00 60.65 58.02 1xhs s ILE 3 Cb -0.15 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 1xhs s ILE 3 CO 0.04 -0.06 0.10 0.12 -1.91 0.00 0.00 174.94 173.24 1xhs s PHE 4 N -0.95 3.20 -0.09 3.50 5.36 -0.61 -0.86 117.98 127.53 1xhs s PHE 4 Ca 0.00 -0.05 -0.20 0.00 -0.96 0.00 0.00 56.93 55.72 1xhs s PHE 4 Cb -0.08 -2.21 -0.04 0.00 -0.34 0.00 0.00 43.02 40.35 1xhs s PHE 4 CO 0.01 -0.08 0.54 0.08 -1.46 0.00 0.00 175.22 174.32 1xhs s VAL 5 N 1.11 5.13 -0.34 3.12 1.01 0.75 -4.73 120.40 126.45 1xhs s VAL 5 Ca 0.05 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.20 1xhs s VAL 5 Cb -0.14 -3.88 0.45 0.00 0.00 0.00 0.00 36.38 32.81 1xhs s VAL 5 CO 0.04 0.32 1.16 0.00 0.00 0.00 0.00 175.10 176.62 1xhs n TYR 6 N 3.60 2.94 0.00 5.22 0.18 -1.26 -1.57 117.16 126.27 1xhs n TYR 6 Ca -0.06 -2.50 0.00 0.00 1.88 0.00 0.00 57.90 57.23 1xhs n TYR 6 Cb 0.51 -0.26 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 1xhs n TYR 6 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xhs n GLY 7 N -0.64 2.38 2.61 -7.48 0.00 -1.26 -4.60 105.19 96.21 1xhs n GLY 7 Ca 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.55 1xhs n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xhs n SER 8 N 0.00 -4.11 -0.35 1.61 3.41 -1.26 -4.73 113.62 108.19 1xhs n SER 8 Ca 0.00 1.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1xhs n SER 8 Cb 0.00 -3.68 0.00 0.00 -0.26 0.00 0.00 64.21 60.27 1xhs n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xhs n LEU 9 N 2.03 0.23 0.12 1.04 -0.00 -1.26 -3.39 117.00 115.76 1xhs n LEU 9 Ca -0.17 -0.12 0.10 0.00 -0.00 0.00 0.00 56.01 55.83 1xhs n LEU 9 Cb 0.26 -0.12 0.59 0.00 -0.00 0.00 0.00 43.42 44.15 1xhs n LEU 9 CO 0.16 0.06 1.12 0.03 -0.00 0.00 0.00 177.39 178.76 1xhs h ARG 10 N 0.48 0.15 -4.83 1.47 3.08 -2.05 -3.48 114.38 109.20 1xhs h ARG 10 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xhs h ARG 10 Cb 0.12 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1xhs h ARG 10 CO 0.00 0.10 -0.40 -2.39 -1.07 0.00 0.00 179.97 176.21 1xhs n HIS 11 N -4.49 -1.55 -2.22 3.04 1.44 -1.22 -4.85 115.22 105.37 1xhs n HIS 11 Ca 0.02 0.92 -0.42 0.00 -2.01 0.00 0.00 57.72 56.22 1xhs n HIS 11 Cb 0.21 -1.95 -0.03 0.00 0.12 0.00 0.00 29.99 28.35 1xhs n HIS 11 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1xhs s LYS 12 N -0.21 4.23 -0.43 -1.40 2.47 -1.26 -4.94 119.74 118.20 1xhs s LYS 12 Ca -0.04 1.94 -0.28 0.00 -1.56 0.00 0.00 55.97 56.03 1xhs s LYS 12 Cb 0.00 -3.79 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 1xhs s LYS 12 CO 0.10 -0.72 1.68 -0.65 0.16 0.00 0.00 175.35 175.93 1xhs s GLN 13 N 3.36 3.24 -1.29 4.03 1.11 -1.26 -4.91 119.66 123.94 1xhs s GLN 13 Ca 0.64 1.04 -0.18 0.00 0.01 0.00 0.00 55.36 56.87 1xhs s GLN 13 Cb -0.29 -4.19 0.03 0.00 -1.01 0.00 0.00 33.01 27.56 1xhs s GLN 13 CO 0.23 -1.98 1.87 0.41 0.01 0.00 0.00 175.29 175.84 1xhs n GLY 14 N 5.38 2.77 0.54 3.09 0.00 -1.26 -4.84 105.19 110.88 1xhs n GLY 14 Ca 0.20 -1.39 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1xhs n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xhs n ASN 15 N 8.64 -3.25 0.17 1.61 2.85 -1.26 -3.59 115.26 120.43 1xhs n ASN 15 Ca 0.49 0.34 0.13 0.00 -0.11 0.00 0.00 54.58 55.43 1xhs n ASN 15 Cb 0.44 -1.72 0.57 0.00 1.24 0.00 0.00 39.78 40.31 1xhs n ASN 15 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1xhs h SER 16 N -0.52 0.00 -0.15 1.20 0.02 -2.00 -2.05 113.55 110.04 1xhs h SER 16 Ca -0.02 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1xhs h SER 16 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1xhs h SER 16 CO 0.01 0.00 0.33 -0.74 -1.14 0.00 0.00 176.83 175.29 1xhs h HIS 17 N 0.00 0.00 0.00 3.45 6.17 -1.95 -1.07 115.15 121.76 1xhs h HIS 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1xhs h HIS 17 Cb 0.36 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1xhs h HIS 17 CO 0.00 0.00 -0.18 2.35 0.71 0.00 0.00 177.93 180.81 1xhs h TRP 18 N 0.00 0.00 0.00 5.26 2.91 -1.42 -3.42 115.95 119.28 1xhs h TRP 18 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1xhs h TRP 18 Cb 0.73 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 1xhs h TRP 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 178.44 177.41 1xhs h MET 19 N -0.45 0.00 -1.90 2.65 -0.00 -1.64 -1.26 114.93 112.33 1xhs h MET 19 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.39 1xhs h MET 19 Cb 0.18 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 31.67 1xhs h MET 19 CO 0.00 0.00 0.11 2.41 -0.00 0.00 0.00 176.91 179.43 1xhs n THR 20 N -3.05 2.95 0.00 -0.10 -1.04 -0.42 -3.20 114.28 109.42 1xhs n THR 20 Ca 0.02 -1.97 0.00 0.00 -2.04 0.00 0.00 64.05 60.06 1xhs n THR 20 Cb 0.36 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1xhs n THR 20 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1xhs n ASN 21 N 1.33 0.00 -4.47 8.00 0.23 -1.23 -4.99 115.26 114.13 1xhs n ASN 21 Ca 0.37 0.00 -0.46 0.00 -0.53 0.00 0.00 54.58 53.97 1xhs n ASN 21 Cb 0.66 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.28 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xhs n ALA 22 N 0.00 0.80 -3.47 -2.53 0.00 -0.47 -4.66 120.51 110.16 1xhs n ALA 22 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 53.44 52.79 1xhs n ALA 22 Cb 0.00 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 16.70 1xhs n ALA 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1xhs s GLN 23 N 7.31 3.17 -0.46 0.00 0.74 0.47 -4.96 119.66 125.92 1xhs s GLN 23 Ca 1.13 -0.77 -0.28 0.00 0.05 0.00 0.00 55.36 55.50 1xhs s GLN 23 Cb -0.82 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 30.18 1xhs s GLN 23 CO 0.45 -0.31 1.68 -1.17 -0.55 0.00 0.00 175.29 175.38 1xhs s LEU 24 N 1.45 3.44 0.15 3.68 2.96 -1.26 -0.21 118.68 128.88 1xhs s LEU 24 Ca 0.04 0.77 -0.08 0.00 -0.22 0.00 0.00 54.13 54.63 1xhs s LEU 24 Cb -0.16 -3.16 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1xhs s LEU 24 CO -0.02 -1.85 1.43 -0.07 -1.32 0.00 0.00 176.35 174.53 1xhs h LEU 25 N 14.08 0.82 0.00 -0.68 3.38 -1.56 -3.48 115.31 127.87 1xhs h LEU 25 Ca -0.29 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1xhs h LEU 25 Cb 1.14 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1xhs h LEU 25 CO 1.12 1.22 0.00 0.61 0.09 0.00 0.00 178.44 181.48 1xhs n GLY 26 N 0.37 4.24 3.77 0.83 0.00 -1.01 -5.00 105.19 108.39 1xhs n GLY 26 Ca -0.04 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 1xhs n GLY 26 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xhs s ASP 27 N 0.00 7.27 -0.21 1.61 -4.77 -1.26 -0.62 116.67 118.68 1xhs s ASP 27 Ca 0.00 1.97 -0.05 0.00 -3.30 0.00 0.00 52.55 51.17 1xhs s ASP 27 Cb 0.00 -2.59 0.11 0.00 -1.09 0.00 0.00 42.92 39.34 1xhs s ASP 27 CO 0.00 -0.12 0.39 0.12 0.70 0.00 0.00 175.17 176.26 1xhs s PHE 28 N -1.47 -0.78 0.06 2.11 5.36 0.15 -4.87 117.98 118.54 1xhs s PHE 28 Ca 0.49 1.21 -0.22 0.00 -0.96 0.00 0.00 56.93 57.45 1xhs s PHE 28 Cb -0.23 0.17 -0.06 0.00 -0.34 0.00 0.00 43.02 42.55 1xhs s PHE 28 CO 0.29 -0.57 0.64 -1.12 -1.46 0.00 0.00 175.22 173.00 1xhs s SER 29 N 2.57 7.12 0.11 6.13 0.01 -1.25 -3.06 113.70 125.32 1xhs s SER 29 Ca 0.04 1.33 0.11 0.00 1.31 0.00 0.00 55.95 58.73 1xhs s SER 29 Cb -0.13 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1xhs s SER 29 CO -0.14 0.17 -0.27 0.27 0.41 0.00 0.00 173.24 173.69 1xhs s ILE 30 N -0.68 2.23 0.10 1.44 -4.36 -0.28 -4.91 121.20 114.74 1xhs s ILE 30 Ca 0.32 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 1xhs s ILE 30 Cb -0.20 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1xhs s ILE 30 CO 0.20 0.17 0.18 -0.62 0.24 0.00 0.00 174.94 175.12 1xhs s ASP 31 N -1.82 6.01 -0.23 4.36 2.15 -1.26 -0.47 116.67 125.42 1xhs s ASP 31 Ca 0.13 0.11 -0.01 0.00 0.43 0.00 0.00 52.55 53.22 1xhs s ASP 31 Cb -0.10 -1.75 0.00 0.00 -0.30 0.00 0.00 42.92 40.78 1xhs s ASP 31 CO 0.05 0.13 0.11 0.59 -0.17 0.00 0.00 175.17 175.88 1xhs n ASN 32 N 0.02 -2.32 -3.87 -0.34 3.02 0.24 -4.93 115.26 107.08 1xhs n ASN 32 Ca -0.07 -0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.28 1xhs n ASN 32 Cb 0.52 -1.17 -0.15 0.00 -0.61 0.00 0.00 39.78 38.38 1xhs n ASN 32 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1xhs s TYR 33 N -2.72 0.20 0.17 3.10 2.02 0.11 0.38 117.35 120.61 1xhs s TYR 33 Ca 0.06 -0.01 0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1xhs s TYR 33 Cb -0.02 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.30 1xhs s TYR 33 CO 0.07 -0.04 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.33 1xhs s GLN 34 N 0.29 2.30 -0.04 -0.62 -0.21 0.70 -3.18 119.66 118.90 1xhs s GLN 34 Ca -0.03 -1.15 0.06 0.00 0.02 0.00 0.00 55.36 54.27 1xhs s GLN 34 Cb -0.05 -2.30 -0.02 0.00 1.00 0.00 0.00 33.01 31.64 1xhs s GLN 34 CO -0.01 0.45 -0.23 -1.17 -2.12 0.00 0.00 175.29 172.21 1xhs s LEU 35 N -2.87 2.19 0.05 2.90 2.96 -1.02 -0.69 118.68 122.20 1xhs s LEU 35 Ca 0.26 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1xhs s LEU 35 Cb -0.09 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1xhs s LEU 35 CO 0.17 0.30 0.03 -0.31 -1.32 0.00 0.00 176.35 175.22 1xhs s TYR 36 N -0.46 3.09 -0.27 5.38 1.51 0.22 0.29 117.35 127.11 1xhs s TYR 36 Ca 0.05 0.05 -0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1xhs s TYR 36 Cb -0.11 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.16 1xhs s TYR 36 CO 0.01 0.49 -0.06 -1.12 -1.11 0.00 0.00 175.55 173.76 1xhs s SER 37 N -2.04 4.52 -0.13 2.29 0.01 0.74 -1.17 113.70 117.92 1xhs s SER 37 Ca 0.24 -1.18 0.15 0.00 1.31 0.00 0.00 55.95 56.48 1xhs s SER 37 Cb -0.12 -1.64 0.44 0.00 0.21 0.00 0.00 66.02 64.92 1xhs s SER 37 CO 0.16 -0.19 1.35 0.00 0.41 0.00 0.00 173.24 174.97 1xhs n LEU 38 N 4.57 3.48 0.00 2.44 -0.00 -1.09 -2.43 117.00 123.98 1xhs n LEU 38 Ca -0.15 -2.76 0.00 0.00 -0.00 0.00 0.00 56.01 53.10 1xhs n LEU 38 Cb 0.44 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1xhs n LEU 38 CO 0.25 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 178.93 1xhs n GLY 39 N -0.36 1.96 0.27 1.47 0.00 -1.26 -4.59 105.19 102.68 1xhs n GLY 39 Ca 0.18 -0.61 0.03 0.00 0.00 0.00 0.00 46.02 45.62 1xhs n GLY 39 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xhs h HIS 40 N 0.00 0.34 -2.40 1.61 6.17 -2.02 -3.45 115.15 115.39 1xhs h HIS 40 Ca 0.00 -0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.21 1xhs h HIS 40 Cb 0.00 -0.11 -0.10 0.00 2.52 0.00 0.00 27.41 29.73 1xhs h HIS 40 CO 0.00 0.32 0.46 1.52 0.71 0.00 0.00 177.93 180.94 1xhs s TYR 41 N -5.07 -0.20 0.72 5.26 -0.85 -1.26 -5.17 117.35 110.78 1xhs s TYR 41 Ca -0.07 -0.07 -0.04 0.00 -0.52 0.00 0.00 57.07 56.37 1xhs s TYR 41 Cb 0.16 0.62 0.15 0.00 0.38 0.00 0.00 41.96 43.27 1xhs s TYR 41 CO 0.73 -0.79 0.98 -0.35 -1.52 0.00 0.00 175.55 174.60 1xhs n PRO 42 N -0.41 -0.36 -3.64 -3.49 -0.05 -1.26 -2.65 135.00 123.13 1xhs n PRO 42 Ca -0.07 -2.27 -0.05 0.00 -0.05 0.00 0.00 63.50 61.05 1xhs n PRO 42 Cb 0.61 -0.78 -0.07 0.00 -0.05 0.00 0.00 33.50 33.22 1xhs n PRO 42 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 175.50 175.65 1xhs s GLY 43 N -5.05 -0.42 0.26 0.55 0.00 -0.32 -4.89 107.32 97.45 1xhs s GLY 43 Ca 0.62 2.67 0.09 0.00 0.00 0.00 0.00 44.72 48.10 1xhs s GLY 43 CO 0.42 2.50 0.06 0.00 0.00 0.00 0.00 173.10 176.07 1xhs s ALA 44 N 1.58 3.30 0.11 3.20 0.00 -1.25 0.69 121.76 129.39 1xhs s ALA 44 Ca -0.09 -1.59 -0.10 0.00 0.00 0.00 0.00 51.96 50.18 1xhs s ALA 44 Cb -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1xhs s ALA 44 CO -0.18 0.26 0.23 0.14 0.00 0.00 0.00 175.76 176.21 1xhs s VAL 45 N -2.27 0.12 0.25 0.00 -7.23 0.13 -3.31 120.40 108.09 1xhs s VAL 45 Ca 0.32 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.03 1xhs s VAL 45 Cb -0.07 -1.43 -0.09 0.00 0.56 0.00 0.00 36.38 35.35 1xhs s VAL 45 CO 0.21 -0.54 1.32 -2.84 -0.31 0.00 0.00 175.10 172.95 1xhs s PRO 46 N -3.88 4.37 0.00 4.82 0.02 -1.26 -0.21 135.00 138.86 1xhs s PRO 46 Ca 0.07 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1xhs s PRO 46 Cb 0.04 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1xhs s PRO 46 CO -0.09 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 1xhs n GLY 47 N 1.87 -0.36 2.64 0.52 0.00 0.16 -4.73 105.19 105.30 1xhs n GLY 47 Ca 0.04 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 1xhs n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xhs s ASN 48 N -4.00 3.15 0.13 1.61 0.02 -1.26 -4.13 114.94 110.46 1xhs s ASN 48 Ca 0.00 -3.23 -0.25 0.00 -1.02 0.00 0.00 52.86 48.36 1xhs s ASN 48 Cb 0.00 -0.99 0.08 0.00 0.02 0.00 0.00 41.25 40.36 1xhs s ASN 48 CO 0.00 -0.16 1.05 -0.83 0.02 0.00 0.00 177.10 177.18 1xhs s GLY 49 N -0.39 -0.17 -0.26 0.66 0.00 -1.19 -4.74 107.32 101.23 1xhs s GLY 49 Ca 0.26 0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.09 1xhs s GLY 49 CO -0.14 0.84 -0.00 -1.59 0.00 0.00 0.00 173.10 172.21 1xhs s THR 50 N -2.78 1.42 -0.37 0.90 2.01 0.95 0.81 115.64 118.57 1xhs s THR 50 Ca 0.16 -1.35 -0.26 0.00 0.31 0.00 0.00 61.69 60.55 1xhs s THR 50 Cb -0.00 -1.82 0.02 0.00 0.01 0.00 0.00 72.50 70.70 1xhs s THR 50 CO 0.02 -0.29 0.93 -0.69 -0.69 0.00 0.00 174.62 173.90 1xhs s VAL 51 N 1.41 4.57 -1.43 3.82 1.01 0.38 -3.89 120.40 126.28 1xhs s VAL 51 Ca -0.00 1.17 -0.09 0.00 0.00 0.00 0.00 61.98 63.06 1xhs s VAL 51 Cb -0.18 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1xhs s VAL 51 CO -0.10 -0.56 2.88 1.41 0.00 0.00 0.00 175.10 178.73 1xhs n HIS 52 N 6.80 2.29 -2.10 5.22 8.25 -0.65 -1.12 115.22 133.91 1xhs n HIS 52 Ca 0.07 -2.91 -0.28 0.00 -0.26 0.00 0.00 57.72 54.34 1xhs n HIS 52 Cb 0.48 -2.27 0.05 0.00 1.12 0.00 0.00 29.99 29.37 1xhs n HIS 52 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1xhs s GLY 53 N 1.72 1.62 -0.21 -1.41 0.00 -1.17 -4.76 107.32 103.12 1xhs s GLY 53 Ca 0.66 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.75 1xhs s GLY 53 CO -0.07 -0.22 0.02 -0.54 0.00 0.00 0.00 173.10 172.29 1xhs s GLU 54 N -5.25 3.65 -0.11 2.90 8.01 -0.61 0.30 118.70 127.60 1xhs s GLU 54 Ca 0.57 -0.50 -0.22 0.00 0.01 0.00 0.00 54.97 54.84 1xhs s GLU 54 Cb -0.11 -3.14 -0.03 0.00 -4.31 0.00 0.00 34.13 26.54 1xhs s GLU 54 CO 0.48 -0.01 0.64 0.08 0.01 0.00 0.00 175.26 176.47 1xhs s VAL 55 N 1.08 5.06 0.12 2.63 1.01 0.20 -0.18 120.40 130.33 1xhs s VAL 55 Ca 0.03 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.39 1xhs s VAL 55 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1xhs s VAL 55 CO 0.02 0.22 -0.22 -0.31 0.00 0.00 0.00 175.10 174.81 1xhs s TYR 56 N 1.08 1.97 -0.23 5.22 1.51 -0.04 -1.38 117.35 125.48 1xhs s TYR 56 Ca 0.33 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1xhs s TYR 56 Cb -0.17 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.64 1xhs s TYR 56 CO 0.14 0.28 -0.06 0.50 -1.11 0.00 0.00 175.55 175.30 1xhs s ARG 57 N -2.12 3.16 0.21 -0.62 3.52 0.70 -0.98 118.95 122.82 1xhs s ARG 57 Ca 0.11 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1xhs s ARG 57 Cb -0.09 -2.96 -0.05 0.00 -1.56 0.00 0.00 34.95 30.28 1xhs s ARG 57 CO 0.05 -0.27 -0.01 0.96 -0.81 0.00 0.00 175.30 175.23 1xhs s ILE 58 N 1.41 0.92 0.41 4.11 -5.25 0.37 -0.39 121.20 122.78 1xhs s ILE 58 Ca 0.04 -2.02 -0.24 0.00 -0.99 0.00 0.00 60.65 57.44 1xhs s ILE 58 Cb -0.15 -2.24 -0.11 0.00 2.95 0.00 0.00 42.46 42.91 1xhs s ILE 58 CO -0.05 -0.40 0.96 -0.67 -1.79 0.00 0.00 174.94 173.00 1xhs n ASP 59 N -0.34 1.03 -0.19 4.36 2.03 -1.26 0.95 116.55 123.13 1xhs n ASP 59 Ca -0.06 1.04 -0.04 0.00 0.52 0.00 0.00 54.79 56.24 1xhs n ASP 59 Cb 0.63 -1.32 0.06 0.00 -0.72 0.00 0.00 41.12 39.77 1xhs n ASP 59 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1xhs h ASN 60 N 1.50 0.49 0.30 1.67 4.21 -1.98 -2.01 115.58 119.77 1xhs h ASN 60 Ca -0.43 0.01 -0.10 0.00 1.21 0.00 0.00 56.30 56.99 1xhs h ASN 60 Cb 1.34 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 1xhs h ASN 60 CO 0.57 0.34 -0.41 0.00 -1.29 0.00 0.00 177.43 176.64 1xhs h ALA 61 N 1.27 1.20 -0.89 -0.83 0.00 -1.99 -2.35 119.26 115.67 1xhs h ALA 61 Ca 0.24 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xhs h ALA 61 Cb 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1xhs h ALA 61 CO -0.13 0.56 0.57 1.15 0.00 0.00 0.00 179.25 181.41 1xhs h THR 62 N 0.12 1.00 0.16 0.00 2.02 -1.68 0.27 112.91 114.80 1xhs h THR 62 Ca 0.01 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1xhs h THR 62 Cb 0.78 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1xhs h THR 62 CO 0.06 0.17 -0.08 0.25 0.37 0.00 0.00 175.52 176.29 1xhs h LEU 63 N 0.92 -0.18 -2.29 2.58 5.85 -1.27 0.11 115.31 121.02 1xhs h LEU 63 Ca 0.40 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1xhs h LEU 63 Cb 0.35 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1xhs h LEU 63 CO -0.17 0.16 0.05 0.00 -0.34 0.00 0.00 178.44 178.14 1xhs h ALA 64 N 0.23 1.73 -0.00 1.25 0.00 -1.22 0.56 119.26 121.81 1xhs h ALA 64 Ca -0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xhs h ALA 64 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xhs h ALA 64 CO 0.04 -0.08 -0.10 1.49 0.00 0.00 0.00 179.25 180.59 1xhs h GLU 65 N 0.00 0.07 -0.90 0.00 4.81 -0.20 -0.89 114.58 117.48 1xhs h GLU 65 Ca 0.03 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xhs h GLU 65 Cb 0.13 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1xhs h GLU 65 CO -0.00 0.83 0.53 1.25 -0.73 0.00 0.00 179.01 180.89 1xhs h LEU 66 N -0.65 1.09 0.03 1.64 6.46 -0.14 -1.82 115.31 121.92 1xhs h LEU 66 Ca -0.01 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1xhs h LEU 66 Cb 0.87 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1xhs h LEU 66 CO 0.02 0.85 -0.02 -0.78 -0.62 0.00 0.00 178.44 177.89 1xhs h ASP 67 N 1.25 -0.04 0.37 1.25 1.82 0.06 0.12 116.42 121.25 1xhs h ASP 67 Ca 0.32 -0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1xhs h ASP 67 Cb -0.03 0.01 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1xhs h ASP 67 CO -0.06 0.06 0.00 0.00 -1.61 0.00 0.00 179.24 177.63 1xhs h ALA 68 N 0.83 1.00 0.01 -0.78 0.00 -0.86 0.19 119.26 119.65 1xhs h ALA 68 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1xhs h ALA 68 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xhs h ALA 68 CO 0.01 0.00 -0.83 -0.07 0.00 0.00 0.00 179.25 178.35 1xhs h LEU 69 N 0.00 0.05 0.10 0.00 3.38 -0.88 -3.31 115.31 114.65 1xhs h LEU 69 Ca 0.00 -0.72 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 1xhs h LEU 69 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xhs h LEU 69 CO 0.00 1.33 -0.05 0.03 0.09 0.00 0.00 178.44 179.84 1xhs h ARG 70 N -0.92 -0.13 -0.91 1.13 -0.00 -0.22 -3.37 114.38 109.96 1xhs h ARG 70 Ca -0.22 0.01 -0.56 0.00 -0.50 0.00 0.00 59.98 58.71 1xhs h ARG 70 Cb 1.25 0.03 -0.42 0.00 0.00 0.00 0.00 29.97 30.83 1xhs h ARG 70 CO -0.10 0.36 -0.76 -2.37 0.00 0.00 0.00 179.97 177.10 1xhs n THR 71 N -4.84 2.53 -0.30 2.04 5.66 0.61 -4.71 114.28 115.27 1xhs n THR 71 Ca -0.07 -4.33 0.13 0.00 -3.05 0.00 0.00 64.05 56.73 1xhs n THR 71 Cb 0.27 -1.17 0.31 0.00 -1.55 0.00 0.00 70.33 68.19 1xhs n THR 71 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 1xhs h ARG 72 N 2.26 0.37 -0.17 1.09 2.43 -1.63 -1.63 114.38 117.09 1xhs h ARG 72 Ca 0.36 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1xhs h ARG 72 Cb 1.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1xhs h ARG 72 CO 0.80 0.24 0.00 0.41 -1.51 0.00 0.00 179.97 179.91 1xhs n GLY 73 N -1.34 3.41 0.50 2.80 0.00 -1.26 -5.00 105.19 104.29 1xhs n GLY 73 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1xhs n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xhs n GLY 74 N -0.29 -0.26 0.00 -0.02 0.00 -0.61 -5.06 105.19 98.94 1xhs n GLY 74 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1xhs n GLY 74 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xhs n GLU 75 N -0.10 2.29 -4.34 1.61 4.07 -1.26 -5.06 120.64 117.85 1xhs n GLU 75 Ca 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.93 1xhs n GLU 75 Cb 0.00 -0.82 -0.10 0.00 -0.06 0.00 0.00 31.44 30.45 1xhs n GLU 75 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 1xhs s TYR 76 N -1.43 1.58 -0.16 4.31 2.02 -1.26 -3.57 117.35 118.84 1xhs s TYR 76 Ca 0.00 -0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 55.73 1xhs s TYR 76 Cb 0.00 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.62 1xhs s TYR 76 CO 0.00 -0.06 -0.07 0.00 -1.57 0.00 0.00 175.55 173.85 1xhs s ALA 77 N -3.44 2.82 -0.53 3.71 0.00 -0.29 -4.95 121.76 119.08 1xhs s ALA 77 Ca 0.30 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1xhs s ALA 77 Cb 0.06 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.75 1xhs s ALA 77 CO 0.09 0.07 0.93 1.03 0.00 0.00 0.00 175.76 177.89 1xhs s ARG 78 N 0.62 3.38 -0.42 0.00 0.52 -1.26 -0.89 118.95 120.91 1xhs s ARG 78 Ca -0.04 -0.15 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 1xhs s ARG 78 Cb -0.15 -4.02 0.07 0.00 0.52 0.00 0.00 34.95 31.37 1xhs s ARG 78 CO 0.03 -1.41 0.28 -1.14 0.02 0.00 0.00 175.30 173.07 1xhs s GLN 79 N 3.89 2.72 -0.42 3.54 0.74 0.11 -4.93 119.66 125.31 1xhs s GLN 79 Ca 0.32 -1.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.07 1xhs s GLN 79 Cb -0.12 -3.84 0.02 0.00 1.10 0.00 0.00 33.01 30.17 1xhs s GLN 79 CO 0.21 -0.92 1.13 -1.17 -0.55 0.00 0.00 175.29 173.99 1xhs s LEU 80 N 1.49 3.73 0.14 3.68 2.96 -1.26 0.14 118.68 129.56 1xhs s LEU 80 Ca 0.03 0.67 0.06 0.00 -0.22 0.00 0.00 54.13 54.67 1xhs s LEU 80 Cb -0.23 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.88 1xhs s LEU 80 CO 0.04 -1.14 0.04 0.27 -1.32 0.00 0.00 176.35 174.24 1xhs s ILE 81 N 4.23 4.05 -0.42 6.68 -4.36 0.44 -4.90 121.20 126.92 1xhs s ILE 81 Ca 0.48 -1.15 -0.16 0.00 -0.26 0.00 0.00 60.65 59.56 1xhs s ILE 81 Cb -0.09 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.64 1xhs s ILE 81 CO 0.27 -0.02 0.34 -1.10 0.24 0.00 0.00 174.94 174.67 1xhs s GLN 82 N -2.73 3.00 0.41 0.37 -1.52 -1.26 0.27 119.66 118.20 1xhs s GLN 82 Ca 0.28 -0.98 0.04 0.00 -1.95 0.00 0.00 55.36 52.74 1xhs s GLN 82 Cb -0.10 -3.99 -0.00 0.00 -0.22 0.00 0.00 33.01 28.69 1xhs s GLN 82 CO 0.20 -0.80 0.59 0.95 -0.25 0.00 0.00 175.29 175.98 1xhs s THR 83 N 1.80 3.85 -1.77 -0.19 -4.23 -0.92 -4.94 115.64 109.23 1xhs s THR 83 Ca 0.07 -0.76 0.12 0.00 -1.18 0.00 0.00 61.69 59.94 1xhs s THR 83 Cb -0.19 -3.38 0.30 0.00 1.34 0.00 0.00 72.50 70.57 1xhs s THR 83 CO 0.11 -0.21 1.22 -2.65 -0.54 0.00 0.00 174.62 172.55 1xhs n PRO 84 N -1.90 0.31 -0.05 3.99 -0.02 -1.26 -1.83 135.00 134.24 1xhs n PRO 84 Ca 0.02 0.07 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1xhs n PRO 84 Cb 0.58 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.64 1xhs n PRO 84 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xhs n TYR 85 N -1.11 0.00 0.00 6.00 4.01 -1.26 -5.09 117.16 119.71 1xhs n TYR 85 Ca 0.08 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 1xhs n TYR 85 Cb 0.06 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1xhs n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xhs n GLY 86 N -0.99 3.19 3.72 2.72 0.00 -0.76 -5.03 105.19 108.05 1xhs n GLY 86 Ca 0.09 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1xhs n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xhs s SER 87 N 0.00 6.69 0.12 1.61 1.04 -1.26 -2.18 113.70 119.73 1xhs s SER 87 Ca 0.00 2.50 0.09 0.00 0.48 0.00 0.00 55.95 59.02 1xhs s SER 87 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 1xhs s SER 87 CO 0.00 -0.74 -0.21 0.00 0.98 0.00 0.00 173.24 173.27 1xhs s ALA 88 N 1.04 1.93 -0.18 5.32 0.00 0.14 -4.49 121.76 125.52 1xhs s ALA 88 Ca 0.67 -1.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 1xhs s ALA 88 Cb -0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1xhs s ALA 88 CO 0.32 0.35 0.78 -1.58 0.00 0.00 0.00 175.76 175.63 1xhs s TRP 89 N -1.37 3.40 -0.21 0.00 0.52 -0.79 -0.42 118.94 120.06 1xhs s TRP 89 Ca 0.10 1.16 -0.06 0.00 0.02 0.00 0.00 56.10 57.32 1xhs s TRP 89 Cb -0.09 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 1xhs s TRP 89 CO 0.05 -0.24 0.02 1.41 0.02 0.00 0.00 176.95 178.21 1xhs s MET 90 N 2.16 3.65 -0.33 4.98 1.75 0.12 -1.57 119.30 130.07 1xhs s MET 90 Ca 0.35 -0.50 -0.20 0.00 -1.25 0.00 0.00 55.69 54.10 1xhs s MET 90 Cb -0.16 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.37 1xhs s MET 90 CO 0.11 -0.01 0.60 0.71 -0.65 0.00 0.00 175.02 175.78 1xhs s TYR 91 N 1.08 3.19 -0.19 4.11 2.02 -1.26 0.08 117.35 126.38 1xhs s TYR 91 Ca 0.03 0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 57.00 1xhs s TYR 91 Cb -0.14 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.37 1xhs s TYR 91 CO 0.02 -0.52 0.38 0.08 -1.57 0.00 0.00 175.55 173.93 1xhs s VAL 92 N 2.58 5.22 -0.01 0.71 1.01 -0.06 -3.79 120.40 126.05 1xhs s VAL 92 Ca 0.23 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 1xhs s VAL 92 Cb -0.15 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1xhs s VAL 92 CO 0.13 0.29 1.19 -0.47 0.00 0.00 0.00 175.10 176.24 1xhs s TYR 93 N 1.06 3.30 0.00 5.22 5.04 -1.21 -1.14 117.35 129.62 1xhs s TYR 93 Ca 0.19 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 1xhs s TYR 93 Cb -0.14 -3.40 0.00 0.00 0.35 0.00 0.00 41.96 38.76 1xhs s TYR 93 CO 0.07 -1.22 0.00 1.04 -1.34 0.00 0.00 175.55 174.10 1xhs n GLN 94 N 4.69 1.65 -0.67 4.97 1.13 -1.23 -4.95 117.38 122.96 1xhs n GLN 94 Ca 0.10 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.25 1xhs n GLN 94 Cb 0.47 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.78 1xhs n GLN 94 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1xhs n ARG 95 N -0.20 -1.47 -1.86 -1.09 5.12 -1.26 -4.76 116.66 111.15 1xhs n ARG 95 Ca 0.00 1.10 -0.42 0.00 -1.93 0.00 0.00 57.85 56.61 1xhs n ARG 95 Cb 0.00 -1.75 -0.02 0.00 -1.16 0.00 0.00 32.46 29.53 1xhs n ARG 95 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1xhs s PRO 96 N -2.65 4.17 -0.01 5.56 0.04 -1.26 -4.92 135.00 135.92 1xhs s PRO 96 Ca 0.00 2.48 0.21 0.00 0.04 0.00 0.00 61.00 63.73 1xhs s PRO 96 Cb 0.00 -3.07 0.63 0.00 0.04 0.00 0.00 34.50 32.10 1xhs s PRO 96 CO 0.00 -0.58 1.52 1.33 0.04 0.00 0.00 177.00 179.32 1xhs n VAL 97 N 2.59 1.10 -1.73 -0.36 0.24 -1.26 -4.97 118.33 113.94 1xhs n VAL 97 Ca 0.09 -1.03 -0.42 0.00 -2.04 0.00 0.00 64.34 60.94 1xhs n VAL 97 Cb 0.38 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 1xhs n VAL 97 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1xhs s ASP 98 N -1.00 6.42 0.00 -1.34 1.11 -1.26 -2.30 116.67 118.30 1xhs s ASP 98 Ca 0.47 2.78 0.00 0.00 0.18 0.00 0.00 52.55 55.98 1xhs s ASP 98 Cb 0.25 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1xhs s ASP 98 CO 0.31 -0.99 0.00 0.61 1.18 0.00 0.00 175.17 176.28 1xhs n GLY 99 N 4.14 0.70 3.90 0.21 0.00 -1.26 -5.07 105.19 107.82 1xhs n GLY 99 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1xhs n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xhs s LEU 100 N 0.00 3.58 -0.27 0.99 1.43 -0.97 -5.04 118.68 118.39 1xhs s LEU 100 Ca 0.00 1.00 -0.21 0.00 -1.03 0.00 0.00 54.13 53.89 1xhs s LEU 100 Cb 0.00 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.24 1xhs s LEU 100 CO 0.00 -0.61 0.68 -0.54 0.23 0.00 0.00 176.35 176.10 1xhs s LYS 101 N -4.78 4.06 -0.26 1.70 1.02 -1.02 -4.90 119.74 115.56 1xhs s LYS 101 Ca 0.49 0.55 -0.13 0.00 0.02 0.00 0.00 55.97 56.89 1xhs s LYS 101 Cb -0.10 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1xhs s LYS 101 CO 0.46 -0.49 0.30 -1.17 -0.92 0.00 0.00 175.35 173.52 1xhs s LEU 102 N 2.63 4.06 -0.68 3.17 2.96 -1.26 -0.18 118.68 129.37 1xhs s LEU 102 Ca 0.28 0.22 -0.13 0.00 -0.22 0.00 0.00 54.13 54.28 1xhs s LEU 102 Cb -0.15 -2.32 0.18 0.00 0.50 0.00 0.00 46.19 44.40 1xhs s LEU 102 CO 0.09 -0.10 0.62 -0.63 -1.32 0.00 0.00 176.35 175.01 1xhs s ILE 103 N 1.73 5.20 0.39 6.68 1.01 0.15 -4.90 121.20 131.46 1xhs s ILE 103 Ca 0.13 -2.13 0.37 0.00 0.00 0.00 0.00 60.65 59.01 1xhs s ILE 103 Cb -0.15 -4.28 0.39 0.00 0.01 0.00 0.00 42.46 38.43 1xhs s ILE 103 CO 0.09 -0.94 2.16 -0.33 0.00 0.00 0.00 174.94 175.92 1xhs h GLU 104 N 8.15 0.00 -0.10 2.79 5.08 -1.91 -2.64 114.58 125.95 1xhs h GLU 104 Ca -0.07 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1xhs h GLU 104 Cb 1.06 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1xhs h GLU 104 CO 0.85 0.03 -0.45 0.66 -1.00 0.00 0.00 179.01 179.10 1xhs h SER 105 N 0.00 0.57 0.00 1.42 4.64 -1.90 -3.35 113.55 114.92 1xhs h SER 105 Ca -0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1xhs h SER 105 Cb 0.28 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xhs h SER 105 CO 0.00 1.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.68 1xhs n GLY 106 N 0.69 1.16 3.88 -0.77 0.00 -1.10 -0.03 105.19 109.02 1xhs n GLY 106 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1xhs n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xhs s ASP 107 N -2.00 4.54 -0.12 1.61 1.47 -1.26 -1.63 116.67 119.28 1xhs s ASP 107 Ca 0.00 -1.33 0.00 0.00 1.18 0.00 0.00 52.55 52.40 1xhs s ASP 107 Cb 0.00 0.47 -0.08 0.00 -0.34 0.00 0.00 42.92 42.97 1xhs s ASP 107 CO 0.00 -1.08 -0.12 -2.67 0.68 0.00 0.00 175.17 171.99 1xhs n TRP 108 N -1.69 0.00 -1.28 2.11 2.14 -1.26 -4.76 117.44 112.70 1xhs n TRP 108 Ca -0.05 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.59 1xhs n TRP 108 Cb 0.65 -0.47 0.10 0.00 -0.81 0.00 0.00 31.31 30.78 1xhs n TRP 108 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1xhs n LEU 109 N -2.95 1.77 0.00 5.67 4.77 -1.26 -5.07 117.00 119.93 1xhs n LEU 109 Ca -0.22 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 1xhs n LEU 109 Cb 0.73 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1xhs n LEU 109 CO 0.11 0.59 0.00 -0.67 -1.33 0.00 0.00 177.39 176.09 1xhs n ASP 110 N -1.07 0.00 0.00 -1.43 2.03 -1.26 -0.81 116.55 114.00 1xhs n ASP 110 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1xhs n ASP 110 Cb 0.65 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 1xhs n ASP 110 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xhs n ARG 111 N 0.00 0.50 -2.82 -0.67 1.74 -1.26 -4.80 116.66 109.35 1xhs n ARG 111 Ca 0.00 -0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 55.97 1xhs n ARG 111 Cb 0.00 -0.82 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 1xhs n ARG 111 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1xhs n ASP 112 N -0.14 6.79 -0.06 0.55 9.92 0.01 -5.25 116.55 128.37 1xhs n ASP 112 Ca 0.00 -3.51 0.16 0.00 -0.53 0.00 0.00 54.79 50.91 1xhs n ASP 112 Cb 0.20 -1.24 0.90 0.00 -0.64 0.00 0.00 41.12 40.34 1xhs n ASP 112 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62