#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 1.97 0.02 2.12 3.03 -1.26 -1.53 118.95 123.30 1xhs s ARG 2 Ca 0.00 -1.03 0.00 0.00 2.03 0.00 0.00 55.73 56.73 1xhs s ARG 2 Cb 0.00 -2.11 -0.02 0.00 -1.03 0.00 0.00 34.95 31.79 1xhs s ARG 2 CO 0.00 0.53 -0.03 -1.50 -1.13 0.00 0.00 175.30 173.17 1xhs s ILE 3 N -0.87 0.14 -0.34 4.99 2.07 -0.65 -2.63 121.20 123.91 1xhs s ILE 3 Ca 0.13 -0.98 -0.15 0.00 -1.41 0.00 0.00 60.65 58.25 1xhs s ILE 3 Cb -0.10 -0.36 -0.01 0.00 0.13 0.00 0.00 42.46 42.11 1xhs s ILE 3 CO 0.04 -0.53 0.35 0.12 -1.91 0.00 0.00 174.94 173.02 1xhs s PHE 4 N -1.62 3.21 0.22 3.50 5.36 -0.36 -1.57 117.98 126.73 1xhs s PHE 4 Ca -0.14 0.00 0.05 0.00 -0.96 0.00 0.00 56.93 55.88 1xhs s PHE 4 Cb -0.09 -2.65 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1xhs s PHE 4 CO -0.02 -0.41 0.28 0.08 -1.46 0.00 0.00 175.22 173.69 1xhs s VAL 5 N 2.01 4.95 -0.21 3.12 1.01 0.41 -4.75 120.40 126.94 1xhs s VAL 5 Ca 0.12 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1xhs s VAL 5 Cb -0.16 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.66 1xhs s VAL 5 CO 0.11 -0.28 0.42 -0.72 0.00 0.00 0.00 175.10 174.63 1xhs s TYR 6 N -1.97 -0.82 0.00 5.22 1.13 -1.26 -0.06 117.35 119.59 1xhs s TYR 6 Ca 0.33 1.43 0.00 0.00 -1.41 0.00 0.00 57.07 57.42 1xhs s TYR 6 Cb -0.09 0.27 0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1xhs s TYR 6 CO 0.27 -0.52 0.00 0.41 -2.51 0.00 0.00 175.55 173.20 1xhs n GLY 7 N 5.39 2.33 3.58 5.49 0.00 -1.23 -4.67 105.19 116.09 1xhs n GLY 7 Ca -0.08 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1xhs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xhs s SER 8 N -4.00 6.02 0.44 1.61 0.01 -1.26 -4.71 113.70 111.82 1xhs s SER 8 Ca 0.00 -2.10 0.24 0.00 1.31 0.00 0.00 55.95 55.41 1xhs s SER 8 Cb 0.00 -2.58 0.58 0.00 0.21 0.00 0.00 66.02 64.23 1xhs s SER 8 CO 0.00 -2.03 1.69 0.17 0.41 0.00 0.00 173.24 173.48 1xhs h LEU 9 N 14.89 0.00 0.00 2.44 -0.00 -1.97 -3.33 115.31 127.35 1xhs h LEU 9 Ca 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.22 1xhs h LEU 9 Cb 0.90 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.56 1xhs h LEU 9 CO 1.35 0.10 -0.04 0.03 -0.00 0.00 0.00 178.44 179.88 1xhs h ARG 10 N 0.00 0.00 -6.59 0.17 3.08 -1.99 -3.49 114.38 105.56 1xhs h ARG 10 Ca -0.00 0.00 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 1xhs h ARG 10 Cb 0.93 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.99 1xhs h ARG 10 CO 0.01 0.41 -1.14 -2.39 -1.07 0.00 0.00 179.97 175.80 1xhs n HIS 11 N -4.70 -2.47 0.00 3.04 1.44 -1.25 -3.45 115.22 107.83 1xhs n HIS 11 Ca -0.05 1.02 0.00 0.00 -2.01 0.00 0.00 57.72 56.69 1xhs n HIS 11 Cb 0.21 -2.26 0.00 0.00 0.12 0.00 0.00 29.99 28.06 1xhs n HIS 11 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1xhs n LYS 12 N -1.17 0.00 -1.20 -1.40 4.81 -1.26 -4.97 118.16 112.98 1xhs n LYS 12 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1xhs n LYS 12 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 1xhs n LYS 12 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1xhs n GLN 13 N 0.00 -3.34 0.00 1.64 0.00 -1.22 -5.01 117.38 109.45 1xhs n GLN 13 Ca 0.00 2.52 0.00 0.00 -0.00 0.00 0.00 57.00 59.52 1xhs n GLN 13 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 30.24 27.31 1xhs n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xhs n GLY 14 N -1.37 1.01 0.00 1.69 0.00 -1.26 -4.90 105.19 100.35 1xhs n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xhs n GLY 14 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xhs n ASN 15 N 0.00 0.00 -4.66 1.61 0.23 -1.26 -5.02 115.26 106.16 1xhs n ASN 15 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 1xhs n ASN 15 Cb 0.00 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 37.87 1xhs n ASN 15 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1xhs s SER 16 N -0.81 2.83 0.55 0.53 0.01 -1.26 -4.87 113.70 110.68 1xhs s SER 16 Ca 0.00 1.81 0.36 0.00 1.31 0.00 0.00 55.95 59.43 1xhs s SER 16 Cb 0.00 -2.40 1.98 0.00 0.21 0.00 0.00 66.02 65.81 1xhs s SER 16 CO 0.00 -3.09 2.12 0.45 0.41 0.00 0.00 173.24 173.12 1xhs h HIS 17 N -1.86 0.00 -0.10 2.43 3.86 -1.99 -2.32 115.15 115.17 1xhs h HIS 17 Ca -0.49 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 58.75 1xhs h HIS 17 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 1xhs h HIS 17 CO 0.44 0.00 0.09 2.35 0.86 0.00 0.00 177.93 181.67 1xhs h TRP 18 N 0.00 0.00 0.07 2.45 2.91 -1.96 -1.50 115.95 117.92 1xhs h TRP 18 Ca 0.00 0.00 -0.26 0.00 1.13 0.00 0.00 58.89 59.76 1xhs h TRP 18 Cb 0.03 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1xhs h TRP 18 CO 0.00 0.00 -1.25 1.98 -1.03 0.00 0.00 178.44 178.14 1xhs h MET 19 N 0.00 0.15 0.00 2.65 4.05 -1.77 -3.33 114.93 116.68 1xhs h MET 19 Ca 0.05 -0.26 -0.16 0.00 -0.28 0.00 0.00 59.70 59.05 1xhs h MET 19 Cb 0.23 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1xhs h MET 19 CO -0.00 1.07 -1.11 2.41 0.23 0.00 0.00 176.91 179.50 1xhs n THR 20 N -3.42 1.49 -0.32 -0.77 -1.04 -0.75 -4.51 114.28 104.97 1xhs n THR 20 Ca -0.08 0.03 0.11 0.00 -2.04 0.00 0.00 64.05 62.08 1xhs n THR 20 Cb 1.00 -2.17 0.32 0.00 -1.82 0.00 0.00 70.33 67.66 1xhs n THR 20 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xhs n ASN 21 N -4.48 3.94 -4.64 8.00 3.02 -0.64 -4.92 115.26 115.54 1xhs n ASN 21 Ca -0.25 -2.06 -0.43 0.00 -0.03 0.00 0.00 54.58 51.82 1xhs n ASN 21 Cb 0.55 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xhs s ALA 22 N -1.15 3.37 -0.25 5.41 0.00 -1.25 -4.43 121.76 123.47 1xhs s ALA 22 Ca 0.48 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1xhs s ALA 22 Cb 0.26 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1xhs s ALA 22 CO 0.31 -1.80 0.05 -1.14 0.00 0.00 0.00 175.76 173.19 1xhs s GLN 23 N 4.60 3.55 -0.77 0.00 0.74 0.49 -4.98 119.66 123.30 1xhs s GLN 23 Ca 0.77 -0.54 -0.25 0.00 0.05 0.00 0.00 55.36 55.39 1xhs s GLN 23 Cb -0.31 -3.28 0.04 0.00 1.10 0.00 0.00 33.01 30.57 1xhs s GLN 23 CO 0.31 -0.22 1.24 -1.17 -0.55 0.00 0.00 175.29 174.91 1xhs s LEU 24 N 1.58 3.47 0.17 3.68 2.96 -1.26 -0.91 118.68 128.37 1xhs s LEU 24 Ca 0.06 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1xhs s LEU 24 Cb -0.15 -2.53 0.06 0.00 0.50 0.00 0.00 46.19 44.06 1xhs s LEU 24 CO 0.02 -1.71 1.67 -0.07 -1.32 0.00 0.00 176.35 174.94 1xhs h LEU 25 N 12.64 0.89 0.00 -0.68 3.38 -1.76 -3.48 115.31 126.30 1xhs h LEU 25 Ca -0.21 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1xhs h LEU 25 Cb 1.05 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1xhs h LEU 25 CO 1.28 0.91 0.00 0.61 0.09 0.00 0.00 178.44 181.33 1xhs n GLY 26 N -0.59 4.00 3.77 0.83 0.00 -1.10 -5.01 105.19 107.09 1xhs n GLY 26 Ca 0.03 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 1xhs n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xhs s ASP 27 N 0.00 6.52 -0.25 1.61 1.01 -1.26 -1.14 116.67 123.17 1xhs s ASP 27 Ca 0.00 2.42 -0.04 0.00 0.71 0.00 0.00 52.55 55.63 1xhs s ASP 27 Cb 0.00 -2.62 0.13 0.00 1.01 0.00 0.00 42.92 41.44 1xhs s ASP 27 CO 0.00 -0.68 0.47 0.12 0.21 0.00 0.00 175.17 175.29 1xhs s PHE 28 N -1.36 -1.05 -0.18 4.23 5.36 0.60 -4.84 117.98 120.74 1xhs s PHE 28 Ca 0.56 1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 57.85 1xhs s PHE 28 Cb -0.33 0.32 -0.05 0.00 -0.34 0.00 0.00 43.02 42.62 1xhs s PHE 28 CO 0.41 -0.68 0.12 -1.12 -1.46 0.00 0.00 175.22 172.49 1xhs s SER 29 N 2.68 6.17 -0.03 6.13 0.01 -1.26 -3.17 113.70 124.23 1xhs s SER 29 Ca 0.08 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.65 1xhs s SER 29 Cb -0.14 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.00 1xhs s SER 29 CO -0.16 0.24 -0.14 0.27 0.41 0.00 0.00 173.24 173.86 1xhs s ILE 30 N 0.00 3.10 0.31 1.44 -4.36 -0.90 -4.87 121.20 115.93 1xhs s ILE 30 Ca 0.09 -0.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.69 1xhs s ILE 30 Cb -0.11 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.32 1xhs s ILE 30 CO -0.00 0.52 0.49 -0.62 0.24 0.00 0.00 174.94 175.57 1xhs s ASP 31 N -0.95 6.30 -0.57 4.36 2.15 -1.26 -0.33 116.67 126.37 1xhs s ASP 31 Ca 0.13 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.43 1xhs s ASP 31 Cb -0.11 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 1xhs s ASP 31 CO 0.02 -0.23 0.00 0.59 -0.17 0.00 0.00 175.17 175.39 1xhs n ASN 32 N -1.66 -2.67 -4.01 -0.34 3.02 0.11 -4.88 115.26 104.82 1xhs n ASN 32 Ca -0.06 0.01 -0.16 0.00 -0.03 0.00 0.00 54.58 54.34 1xhs n ASN 32 Cb 0.56 -1.88 -0.14 0.00 -0.61 0.00 0.00 39.78 37.72 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 -2.32 0.66 0.09 3.10 2.02 0.07 0.42 117.35 121.40 1xhs s TYR 33 Ca 0.00 -0.20 0.08 0.00 -0.37 0.00 0.00 57.07 56.58 1xhs s TYR 33 Cb 0.00 -0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.11 1xhs s TYR 33 CO 0.00 -0.02 -0.18 -0.65 -1.57 0.00 0.00 175.55 173.13 1xhs s GLN 34 N -0.49 1.89 -0.11 -0.62 -0.21 0.71 -2.85 119.66 117.98 1xhs s GLN 34 Ca 0.00 -1.11 -0.05 0.00 0.02 0.00 0.00 55.36 54.23 1xhs s GLN 34 Cb -0.04 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1xhs s GLN 34 CO -0.00 0.50 0.07 -1.17 -2.12 0.00 0.00 175.29 172.57 1xhs s LEU 35 N -1.92 3.98 -0.12 2.90 2.96 -0.84 -1.18 118.68 124.46 1xhs s LEU 35 Ca 0.17 0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1xhs s LEU 35 Cb -0.11 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1xhs s LEU 35 CO 0.09 0.38 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.18 1xhs s TYR 36 N -0.87 3.11 -0.13 5.38 2.02 0.26 0.91 117.35 128.03 1xhs s TYR 36 Ca 0.13 -0.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.83 1xhs s TYR 36 Cb -0.12 -1.89 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1xhs s TYR 36 CO 0.03 0.23 -0.17 -1.54 -1.57 0.00 0.00 175.55 172.53 1xhs s SER 37 N -0.25 3.64 -0.03 2.29 1.04 0.14 -0.83 113.70 119.70 1xhs s SER 37 Ca 0.05 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.09 1xhs s SER 37 Cb -0.12 -1.54 0.07 0.00 0.10 0.00 0.00 66.02 64.52 1xhs s SER 37 CO 0.02 0.14 0.94 0.00 0.98 0.00 0.00 173.24 175.32 1xhs n LEU 38 N 3.70 0.71 0.00 2.42 -0.00 -1.16 -1.45 117.00 121.22 1xhs n LEU 38 Ca -0.19 -1.38 0.00 0.00 -0.00 0.00 0.00 56.01 54.44 1xhs n LEU 38 Cb 0.52 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1xhs n LEU 38 CO 0.29 0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.62 1xhs n GLY 39 N -0.37 1.80 0.40 1.47 0.00 -1.26 -4.41 105.19 102.82 1xhs n GLY 39 Ca 0.04 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1xhs n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xhs n HIS 40 N 0.00 0.00 -3.67 1.61 -0.00 -1.26 -4.81 115.22 107.10 1xhs n HIS 40 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1xhs n HIS 40 Cb 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 29.89 1xhs n HIS 40 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1xhs s TYR 41 N -2.08 -0.79 -0.24 1.57 2.02 -1.26 -5.14 117.35 111.43 1xhs s TYR 41 Ca 0.37 1.72 -0.16 0.00 -0.37 0.00 0.00 57.07 58.63 1xhs s TYR 41 Cb 0.21 0.38 -0.03 0.00 -0.40 0.00 0.00 41.96 42.12 1xhs s TYR 41 CO 0.36 -0.40 0.43 -1.25 -1.57 0.00 0.00 175.55 173.13 1xhs s PRO 42 N 1.04 4.09 0.18 -1.71 0.04 -1.26 -2.96 135.00 134.42 1xhs s PRO 42 Ca -0.06 0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.26 1xhs s PRO 42 Cb -0.05 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 1xhs s PRO 42 CO -0.10 -0.22 -0.09 0.20 0.04 0.00 0.00 177.00 176.83 1xhs s GLY 43 N 1.41 1.73 -0.03 0.56 0.00 -0.01 -4.96 107.32 106.02 1xhs s GLY 43 Ca 0.18 -1.48 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 1xhs s GLY 43 CO 0.09 -1.50 0.18 0.00 0.00 0.00 0.00 173.10 171.86 1xhs s ALA 44 N -1.74 -0.43 0.16 3.20 0.00 -1.26 0.92 121.76 122.61 1xhs s ALA 44 Ca 0.25 0.15 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 1xhs s ALA 44 Cb -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1xhs s ALA 44 CO 0.15 -0.17 0.32 0.14 0.00 0.00 0.00 175.76 176.20 1xhs s VAL 45 N -0.87 0.07 0.29 0.00 -7.23 -0.32 -3.67 120.40 108.67 1xhs s VAL 45 Ca -0.10 -1.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1xhs s VAL 45 Cb -0.05 -1.67 -0.11 0.00 0.56 0.00 0.00 36.38 35.11 1xhs s VAL 45 CO 0.01 -0.32 1.48 -2.84 -0.31 0.00 0.00 175.10 173.13 1xhs s PRO 46 N -3.92 4.20 0.00 4.82 0.02 -1.26 -0.21 135.00 138.65 1xhs s PRO 46 Ca 0.13 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.57 1xhs s PRO 46 Cb 0.03 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.49 1xhs s PRO 46 CO -0.03 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1xhs n GLY 47 N 1.73 -0.02 2.59 0.52 0.00 0.17 -4.67 105.19 105.51 1xhs n GLY 47 Ca 0.05 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.35 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 2.00 2.38 0.00 1.61 0.02 -1.26 -4.19 114.94 115.50 1xhs s ASN 48 Ca 0.00 -1.77 0.00 0.00 -1.02 0.00 0.00 52.86 50.07 1xhs s ASN 48 Cb 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 41.25 41.25 1xhs s ASN 48 CO 0.00 -0.32 0.00 0.61 0.02 0.00 0.00 177.10 177.41 1xhs n GLY 49 N 4.36 0.37 3.18 0.66 0.00 -1.13 -4.78 105.19 107.85 1xhs n GLY 49 Ca 0.08 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1xhs n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xhs s THR 50 N -2.00 2.93 -0.27 2.61 2.01 -1.24 0.04 115.64 119.72 1xhs s THR 50 Ca 0.00 -1.29 -0.25 0.00 0.31 0.00 0.00 61.69 60.46 1xhs s THR 50 Cb 0.00 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.88 1xhs s THR 50 CO 0.00 -0.02 0.84 -0.69 -0.69 0.00 0.00 174.62 174.07 1xhs s VAL 51 N 1.27 4.79 -0.79 3.82 1.01 0.55 -3.98 120.40 127.06 1xhs s VAL 51 Ca -0.04 1.47 -0.26 0.00 0.00 0.00 0.00 61.98 63.15 1xhs s VAL 51 Cb -0.19 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1xhs s VAL 51 CO -0.02 -0.18 1.37 -1.00 0.00 0.00 0.00 175.10 175.28 1xhs s HIS 52 N 2.97 2.27 0.33 5.22 3.76 0.47 -2.11 115.29 128.19 1xhs s HIS 52 Ca 0.35 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.18 1xhs s HIS 52 Cb -0.15 -4.59 -0.05 0.00 1.11 0.00 0.00 32.58 28.91 1xhs s HIS 52 CO 0.10 -2.06 0.09 0.20 -0.85 0.00 0.00 174.74 172.21 1xhs s GLY 53 N 4.42 2.11 -0.07 -2.22 0.00 -1.19 -3.52 107.32 106.85 1xhs s GLY 53 Ca 0.40 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.38 1xhs s GLY 53 CO 0.10 -1.75 -0.25 -0.54 0.00 0.00 0.00 173.10 170.67 1xhs s GLU 54 N -3.88 2.69 -0.25 2.90 8.01 0.92 -0.29 118.70 128.79 1xhs s GLU 54 Ca 0.34 -0.89 -0.19 0.00 0.01 0.00 0.00 54.97 54.24 1xhs s GLU 54 Cb 0.07 -2.19 -0.02 0.00 -4.31 0.00 0.00 34.13 27.67 1xhs s GLU 54 CO 0.15 0.32 0.56 0.08 0.01 0.00 0.00 175.26 176.37 1xhs s VAL 55 N -0.00 5.04 0.24 2.63 1.01 -0.29 -0.44 120.40 128.59 1xhs s VAL 55 Ca -0.08 0.98 0.11 0.00 0.00 0.00 0.00 61.98 62.99 1xhs s VAL 55 Cb -0.15 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1xhs s VAL 55 CO 0.05 0.07 -0.16 -0.31 0.00 0.00 0.00 175.10 174.75 1xhs s TYR 56 N 2.34 2.40 -0.11 5.22 2.02 -0.61 -2.07 117.35 126.55 1xhs s TYR 56 Ca 0.23 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1xhs s TYR 56 Cb -0.16 -1.10 0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1xhs s TYR 56 CO 0.09 0.62 -0.12 0.50 -1.57 0.00 0.00 175.55 175.07 1xhs s ARG 57 N -3.25 1.91 0.14 -0.62 3.00 -0.09 -1.63 118.95 118.41 1xhs s ARG 57 Ca 0.27 -0.44 0.03 0.00 -1.00 0.00 0.00 55.73 54.59 1xhs s ARG 57 Cb -0.06 -1.72 -0.01 0.00 0.00 0.00 0.00 34.95 33.16 1xhs s ARG 57 CO 0.15 -0.13 0.09 0.44 0.00 0.00 0.00 175.30 175.85 1xhs n ILE 58 N 4.41 0.00 -1.31 4.11 -6.64 -0.58 -0.38 119.36 118.97 1xhs n ILE 58 Ca -0.18 -0.96 -0.36 0.00 -1.77 0.00 0.00 62.75 59.48 1xhs n ILE 58 Cb 0.51 0.43 0.07 0.00 -1.44 0.00 0.00 39.64 39.21 1xhs n ILE 58 CO 0.00 0.00 0.00 0.47 -1.77 0.00 0.00 176.55 175.25 1xhs n ASP 59 N -2.24 -0.80 -0.19 7.28 9.92 -1.26 0.56 116.55 129.83 1xhs n ASP 59 Ca 0.01 0.63 -0.07 0.00 -0.53 0.00 0.00 54.79 54.83 1xhs n ASP 59 Cb 0.24 -1.25 0.08 0.00 -0.64 0.00 0.00 41.12 39.55 1xhs n ASP 59 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1xhs h ASN 60 N -0.26 0.96 -0.40 -2.24 -1.07 -2.01 -2.00 115.58 108.56 1xhs h ASN 60 Ca -0.46 -0.24 -0.07 0.00 0.07 0.00 0.00 56.30 55.60 1xhs h ASN 60 Cb 1.35 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 37.33 1xhs h ASN 60 CO 0.44 0.99 -0.04 0.00 0.07 0.00 0.00 177.43 178.89 1xhs h ALA 61 N 1.12 0.54 -0.32 4.14 0.00 -1.97 -2.50 119.26 120.26 1xhs h ALA 61 Ca 0.18 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xhs h ALA 61 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xhs h ALA 61 CO 0.02 0.36 0.23 1.15 0.00 0.00 0.00 179.25 181.00 1xhs h THR 62 N 0.55 0.85 -0.10 0.00 2.02 -1.89 0.43 112.91 114.78 1xhs h THR 62 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1xhs h THR 62 Cb 0.53 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1xhs h THR 62 CO 0.03 0.01 0.01 0.25 0.37 0.00 0.00 175.52 176.18 1xhs h LEU 63 N 0.03 0.16 -2.03 2.58 7.12 -1.00 0.47 115.31 122.64 1xhs h LEU 63 Ca 0.15 -0.27 -0.01 0.00 0.13 0.00 0.00 57.88 57.88 1xhs h LEU 63 Cb 0.57 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1xhs h LEU 63 CO -0.01 0.39 -0.03 0.00 -0.13 0.00 0.00 178.44 178.66 1xhs h ALA 64 N 0.77 1.05 -0.02 1.25 0.00 -0.89 0.25 119.26 121.68 1xhs h ALA 64 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xhs h ALA 64 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xhs h ALA 64 CO 0.00 0.04 -0.06 1.49 0.00 0.00 0.00 179.25 180.72 1xhs h GLU 65 N 0.00 0.07 -0.48 0.00 4.81 0.55 -0.49 114.58 119.06 1xhs h GLU 65 Ca -0.00 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1xhs h GLU 65 Cb 0.32 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1xhs h GLU 65 CO 0.00 0.70 0.04 1.25 -0.73 0.00 0.00 179.01 180.27 1xhs h LEU 66 N -0.53 0.72 0.28 1.64 6.46 -0.66 -1.79 115.31 121.43 1xhs h LEU 66 Ca -0.00 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1xhs h LEU 66 Cb 0.71 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1xhs h LEU 66 CO 0.01 0.77 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.58 1xhs h ASP 67 N 0.72 -0.66 0.12 1.25 3.58 -0.94 0.13 116.42 120.62 1xhs h ASP 67 Ca 0.15 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 1xhs h ASP 67 Cb 0.39 0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.66 1xhs h ASP 67 CO 0.01 -0.37 -0.09 0.00 -2.88 0.00 0.00 179.24 175.91 1xhs h ALA 68 N 0.09 1.71 0.05 -0.78 0.00 -0.83 0.20 119.26 119.71 1xhs h ALA 68 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1xhs h ALA 68 Cb 0.50 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xhs h ALA 68 CO -0.04 0.12 -0.32 -0.07 0.00 0.00 0.00 179.25 178.94 1xhs h LEU 69 N 0.00 0.20 0.01 0.00 3.38 -1.02 -3.17 115.31 114.70 1xhs h LEU 69 Ca -0.00 -0.94 -0.05 0.00 0.09 0.00 0.00 57.88 56.98 1xhs h LEU 69 Cb 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xhs h LEU 69 CO 0.01 1.12 -0.26 -0.09 0.09 0.00 0.00 178.44 179.32 1xhs h ARG 70 N -0.69 0.02 0.00 1.13 2.43 -0.40 -3.41 114.38 113.46 1xhs h ARG 70 Ca -0.05 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 58.85 1xhs h ARG 70 Cb 1.21 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1xhs h ARG 70 CO 0.06 1.01 -1.90 -2.37 -1.51 0.00 0.00 179.97 175.27 1xhs n THR 71 N -4.55 0.90 0.00 0.20 5.66 0.53 -4.86 114.28 112.16 1xhs n THR 71 Ca -0.14 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.33 1xhs n THR 71 Cb 0.53 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.61 1xhs n THR 71 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1xhs n ARG 72 N -2.53 0.00 -0.69 1.09 3.00 -0.15 -1.80 116.66 115.58 1xhs n ARG 72 Ca -0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.57 1xhs n ARG 72 Cb 0.91 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.56 1xhs n ARG 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xhs n GLY 73 N 0.00 3.05 1.53 5.14 0.00 -1.26 -4.81 105.19 108.84 1xhs n GLY 73 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.10 0.70 0.19 -0.02 0.00 -0.74 -4.95 105.19 100.27 1xhs n GLY 74 Ca 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1xhs n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xhs h GLU 75 N -0.20 0.11 -6.23 1.61 4.81 -1.68 -3.44 114.58 109.57 1xhs h GLU 75 Ca -0.05 -0.05 -0.61 0.00 -0.13 0.00 0.00 59.36 58.53 1xhs h GLU 75 Cb 1.03 -0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.27 1xhs h GLU 75 CO 0.04 0.50 -0.75 0.71 -0.73 0.00 0.00 179.01 178.78 1xhs s TYR 76 N -4.14 2.33 -0.23 0.92 2.02 -1.26 -3.86 117.35 113.12 1xhs s TYR 76 Ca -0.03 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.25 1xhs s TYR 76 Cb 0.14 -1.01 -0.05 0.00 -0.40 0.00 0.00 41.96 40.64 1xhs s TYR 76 CO 0.75 0.70 0.14 0.00 -1.57 0.00 0.00 175.55 175.57 1xhs s ALA 77 N -2.46 3.52 -0.14 3.71 0.00 -0.57 -4.92 121.76 120.91 1xhs s ALA 77 Ca 0.30 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1xhs s ALA 77 Cb -0.05 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 1xhs s ALA 77 CO 0.15 -0.19 1.06 -0.98 0.00 0.00 0.00 175.76 175.80 1xhs s ARG 78 N 1.06 4.36 0.01 0.00 1.70 -1.26 -0.66 118.95 124.15 1xhs s ARG 78 Ca 0.07 1.43 0.00 0.00 -0.47 0.00 0.00 55.73 56.76 1xhs s ARG 78 Cb -0.14 -3.59 -0.04 0.00 -0.57 0.00 0.00 34.95 30.62 1xhs s ARG 78 CO 0.04 -0.44 0.08 -0.65 -1.08 0.00 0.00 175.30 173.24 1xhs s GLN 79 N 2.46 3.03 -0.29 3.89 -0.21 0.12 -4.94 119.66 123.72 1xhs s GLN 79 Ca 0.48 -0.52 -0.05 0.00 0.02 0.00 0.00 55.36 55.30 1xhs s GLN 79 Cb -0.18 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.02 1xhs s GLN 79 CO 0.15 0.64 0.04 -1.17 -2.12 0.00 0.00 175.29 172.82 1xhs s LEU 80 N -1.81 3.79 -0.05 2.90 2.96 -1.26 0.41 118.68 125.62 1xhs s LEU 80 Ca 0.23 -0.91 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1xhs s LEU 80 Cb -0.12 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1xhs s LEU 80 CO 0.15 -0.21 -0.06 0.27 -1.32 0.00 0.00 176.35 175.17 1xhs s ILE 81 N 1.41 3.74 -0.57 6.68 -4.36 -0.35 -4.95 121.20 122.79 1xhs s ILE 81 Ca 0.00 -0.53 -0.21 0.00 -0.26 0.00 0.00 60.65 59.66 1xhs s ILE 81 Cb -0.18 -2.56 0.07 0.00 1.25 0.00 0.00 42.46 41.04 1xhs s ILE 81 CO 0.00 0.55 0.78 -1.10 0.24 0.00 0.00 174.94 175.42 1xhs s GLN 82 N -0.96 3.14 0.21 0.37 -1.52 -1.26 -0.86 119.66 118.78 1xhs s GLN 82 Ca 0.14 -0.86 0.04 0.00 -1.95 0.00 0.00 55.36 52.73 1xhs s GLN 82 Cb -0.11 -4.16 -0.03 0.00 -0.22 0.00 0.00 33.01 28.49 1xhs s GLN 82 CO 0.03 -1.49 0.34 0.95 -0.25 0.00 0.00 175.29 174.87 1xhs s THR 83 N 3.24 5.28 0.37 -0.19 -4.23 -0.93 -4.97 115.64 114.20 1xhs s THR 83 Ca 0.19 -0.86 0.37 0.00 -1.18 0.00 0.00 61.69 60.21 1xhs s THR 83 Cb -0.19 -3.81 0.38 0.00 1.34 0.00 0.00 72.50 70.22 1xhs s THR 83 CO 0.12 -0.24 2.14 -0.65 -0.54 0.00 0.00 174.62 175.44 1xhs h PRO 84 N 1.53 0.00 -0.02 3.99 0.11 -2.02 -0.87 132.00 134.72 1xhs h PRO 84 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xhs h PRO 84 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xhs h PRO 84 CO 0.64 0.00 -0.30 0.66 -0.21 0.00 0.00 178.00 178.79 1xhs n TYR 85 N -2.82 0.00 0.00 0.65 4.01 -1.26 -5.04 117.16 112.69 1xhs n TYR 85 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1xhs n TYR 85 Cb 0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.39 4.03 3.59 2.72 0.00 -0.33 -5.02 105.19 111.55 1xhs n GLY 86 Ca 0.11 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 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 5.62 0.01 1.61 1.04 -1.26 -2.19 113.70 118.52 1xhs s SER 87 Ca 0.00 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1xhs s SER 87 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 1xhs s SER 87 CO 0.00 -1.95 0.08 0.00 0.98 0.00 0.00 173.24 172.35 1xhs s ALA 88 N 7.84 3.57 -0.13 5.32 0.00 -0.04 -4.66 121.76 133.65 1xhs s ALA 88 Ca 0.80 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 1xhs s ALA 88 Cb -0.21 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 1xhs s ALA 88 CO 0.31 0.70 0.85 -1.58 0.00 0.00 0.00 175.76 176.04 1xhs s TRP 89 N -1.21 3.48 -0.24 0.00 0.52 -1.08 -1.22 118.94 119.19 1xhs s TRP 89 Ca 0.24 1.35 -0.02 0.00 0.02 0.00 0.00 56.10 57.68 1xhs s TRP 89 Cb -0.12 -3.02 0.02 0.00 -1.15 0.00 0.00 33.47 29.20 1xhs s TRP 89 CO 0.15 -0.17 -0.07 1.41 0.02 0.00 0.00 176.95 178.29 1xhs s MET 90 N 1.83 2.97 -0.48 4.98 1.75 0.17 -1.22 119.30 129.29 1xhs s MET 90 Ca 0.41 -0.89 -0.22 0.00 -1.25 0.00 0.00 55.69 53.75 1xhs s MET 90 Cb -0.17 -2.96 0.04 0.00 2.84 0.00 0.00 34.83 34.57 1xhs s MET 90 CO 0.15 -0.34 0.73 0.71 -0.65 0.00 0.00 175.02 175.62 1xhs s TYR 91 N 1.36 2.99 -0.05 4.11 2.02 -1.26 0.14 117.35 126.66 1xhs s TYR 91 Ca 0.02 -0.11 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 1xhs s TYR 91 Cb -0.16 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 37.78 1xhs s TYR 91 CO -0.05 -1.03 0.94 0.08 -1.57 0.00 0.00 175.55 173.92 1xhs s VAL 92 N 3.10 4.87 -0.01 0.71 1.01 0.17 -4.29 120.40 125.95 1xhs s VAL 92 Ca 0.24 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 1xhs s VAL 92 Cb -0.15 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1xhs s VAL 92 CO 0.18 0.12 1.81 -0.47 0.00 0.00 0.00 175.10 176.75 1xhs s TYR 93 N 1.31 1.62 0.00 5.22 6.14 -1.24 -1.51 117.35 128.89 1xhs s TYR 93 Ca 0.48 -0.13 0.00 0.00 0.64 0.00 0.00 57.07 58.07 1xhs s TYR 93 Cb -0.20 -4.08 0.00 0.00 0.42 0.00 0.00 41.96 38.10 1xhs s TYR 93 CO 0.23 -4.70 0.00 0.94 0.64 0.00 0.00 175.55 172.66 1xhs n GLN 94 N 7.36 2.10 -0.71 4.97 -0.06 -1.25 -4.89 117.38 124.89 1xhs n GLN 94 Ca 0.19 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.28 1xhs n GLN 94 Cb 0.42 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.58 1xhs n GLN 94 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1xhs n ARG 95 N -0.39 -1.44 -1.54 3.69 1.74 -1.26 -4.46 116.66 113.00 1xhs n ARG 95 Ca 0.00 0.95 -0.38 0.00 -0.77 0.00 0.00 57.85 57.65 1xhs n ARG 95 Cb 0.00 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.62 1xhs n ARG 95 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xhs n PRO 96 N -2.68 0.80 0.01 5.56 -0.02 -1.26 -4.75 135.00 132.66 1xhs n PRO 96 Ca 0.00 0.02 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1xhs n PRO 96 Cb 0.33 -2.93 0.11 0.00 -0.02 0.00 0.00 33.50 30.98 1xhs n PRO 96 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xhs n VAL 97 N 7.85 0.03 -1.61 -1.45 0.24 -1.26 -4.87 118.33 117.26 1xhs n VAL 97 Ca 0.44 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 62.31 1xhs n VAL 97 Cb 0.41 0.46 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 1xhs n VAL 97 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xhs s ASP 98 N -3.16 4.88 0.00 -1.34 2.15 -1.26 -1.73 116.67 116.20 1xhs s ASP 98 Ca 0.09 1.35 0.00 0.00 0.43 0.00 0.00 52.55 54.42 1xhs s ASP 98 Cb 0.17 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1xhs s ASP 98 CO 0.77 -2.50 0.00 0.61 -0.17 0.00 0.00 175.17 173.88 1xhs n GLY 99 N 5.89 0.78 3.85 2.66 0.00 -1.26 -5.14 105.19 111.98 1xhs n GLY 99 Ca 0.33 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 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 3.00 -0.45 0.99 1.43 -0.71 -5.01 118.68 117.94 1xhs s LEU 100 Ca 0.00 1.35 -0.20 0.00 -1.03 0.00 0.00 54.13 54.25 1xhs s LEU 100 Cb 0.00 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 42.04 1xhs s LEU 100 CO 0.00 -1.31 0.60 -0.54 0.23 0.00 0.00 176.35 175.33 1xhs s LYS 101 N -5.21 3.21 0.26 1.70 1.02 -0.53 -4.90 119.74 115.29 1xhs s LYS 101 Ca 0.58 -0.55 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 1xhs s LYS 101 Cb -0.12 -3.98 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 1xhs s LYS 101 CO 0.53 -1.03 1.12 -1.17 -0.92 0.00 0.00 175.35 173.89 1xhs s LEU 102 N 2.66 4.53 -0.45 3.17 2.96 -1.26 0.23 118.68 130.52 1xhs s LEU 102 Ca 0.19 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.41 1xhs s LEU 102 Cb -0.16 -3.62 0.13 0.00 0.50 0.00 0.00 46.19 43.03 1xhs s LEU 102 CO 0.16 -0.20 0.21 -0.63 -1.32 0.00 0.00 176.35 174.57 1xhs s ILE 103 N -0.94 2.00 -0.25 6.68 1.01 0.26 -4.89 121.20 125.05 1xhs s ILE 103 Ca 0.46 -2.77 0.25 0.00 0.00 0.00 0.00 60.65 58.60 1xhs s ILE 103 Cb -0.32 -2.41 0.26 0.00 0.01 0.00 0.00 42.46 40.00 1xhs s ILE 103 CO 0.41 -0.80 1.76 -0.33 0.00 0.00 0.00 174.94 175.99 1xhs h GLU 104 N 6.86 0.00 0.00 2.79 3.07 -1.91 -2.05 114.58 123.35 1xhs h GLU 104 Ca -0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1xhs h GLU 104 Cb 0.93 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.84 1xhs h GLU 104 CO 0.58 0.00 -0.04 0.77 -1.40 0.00 0.00 179.01 178.91 1xhs h SER 105 N 0.00 0.00 -1.79 1.42 0.02 -1.91 -3.38 113.55 107.91 1xhs h SER 105 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1xhs h SER 105 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1xhs h SER 105 CO 0.00 0.04 -0.33 0.61 -1.14 0.00 0.00 176.83 176.01 1xhs n GLY 106 N 0.11 -0.04 2.97 -3.77 0.00 -0.83 -4.40 105.19 99.24 1xhs n GLY 106 Ca 0.01 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 1xhs n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xhs s ASP 107 N -2.44 0.92 0.30 1.61 -1.08 -1.26 -0.40 116.67 114.33 1xhs s ASP 107 Ca 0.00 -0.14 0.12 0.00 -0.52 0.00 0.00 52.55 52.01 1xhs s ASP 107 Cb 0.00 -0.20 0.46 0.00 -1.46 0.00 0.00 42.92 41.71 1xhs s ASP 107 CO 0.00 0.06 1.66 -0.25 0.52 0.00 0.00 175.17 177.15 1xhs h TRP 108 N 6.28 0.00 -0.11 -5.34 -0.00 -1.91 -3.26 115.95 111.60 1xhs h TRP 108 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 1xhs h TRP 108 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 1xhs h TRP 108 CO 0.43 0.54 0.00 1.28 -0.00 0.00 0.00 178.44 180.70 1xhs n LEU 109 N -3.78 2.40 -0.06 0.65 4.77 -1.26 -4.50 117.00 115.23 1xhs n LEU 109 Ca -0.01 -2.16 -0.02 0.00 -0.03 0.00 0.00 56.01 53.79 1xhs n LEU 109 Cb 0.57 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1xhs n LEU 109 CO 0.41 0.60 -0.06 -0.78 -1.33 0.00 0.00 177.39 176.23 1xhs h ASP 110 N 0.68 0.00 -0.44 -1.43 3.58 -1.99 -3.37 116.42 113.45 1xhs h ASP 110 Ca 0.00 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1xhs h ASP 110 Cb 0.66 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1xhs h ASP 110 CO 0.01 0.60 0.00 0.54 -2.88 0.00 0.00 179.24 177.51 1xhs n ARG 111 N -4.73 2.32 -0.02 0.28 1.74 -1.26 -4.06 116.66 110.93 1xhs n ARG 111 Ca -0.03 -1.71 -0.12 0.00 -0.77 0.00 0.00 57.85 55.22 1xhs n ARG 111 Cb 0.09 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 1xhs n ARG 111 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1xhs h ASP 112 N 2.65 0.11 0.00 0.55 3.58 -1.79 -3.52 116.42 118.00 1xhs h ASP 112 Ca 0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1xhs h ASP 112 Cb 0.77 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.79 1xhs h ASP 112 CO 0.06 0.39 0.00 0.29 -2.88 0.00 0.00 179.24 177.10