#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 0.19 0.02 2.12 3.03 -1.26 -0.87 118.95 122.18 1xhs s ARG 2 Ca 0.00 -0.14 0.01 0.00 2.03 0.00 0.00 55.73 57.64 1xhs s ARG 2 Cb 0.00 0.08 -0.02 0.00 -1.03 0.00 0.00 34.95 33.98 1xhs s ARG 2 CO 0.00 -0.03 -0.05 -1.50 -1.13 0.00 0.00 175.30 172.58 1xhs s ILE 3 N -0.51 0.37 -0.37 4.99 2.07 -0.39 -2.15 121.20 125.20 1xhs s ILE 3 Ca -0.06 -0.74 -0.19 0.00 -1.41 0.00 0.00 60.65 58.25 1xhs s ILE 3 Cb -0.04 -0.42 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1xhs s ILE 3 CO 0.00 -0.25 0.56 0.12 -1.91 0.00 0.00 174.94 173.46 1xhs s PHE 4 N -0.97 3.15 0.17 3.50 5.36 -0.49 -1.93 117.98 126.78 1xhs s PHE 4 Ca -0.07 0.13 -0.10 0.00 -0.96 0.00 0.00 56.93 55.93 1xhs s PHE 4 Cb -0.07 -3.06 -0.07 0.00 -0.34 0.00 0.00 43.02 39.49 1xhs s PHE 4 CO -0.00 -0.64 0.50 0.08 -1.46 0.00 0.00 175.22 173.71 1xhs s VAL 5 N 2.53 4.97 -0.47 3.12 1.01 -0.39 -4.77 120.40 126.40 1xhs s VAL 5 Ca 0.20 0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.77 1xhs s VAL 5 Cb -0.15 -3.65 0.27 0.00 0.00 0.00 0.00 36.38 32.85 1xhs s VAL 5 CO 0.15 0.08 0.66 0.00 0.00 0.00 0.00 175.10 175.99 1xhs n TYR 6 N 0.30 1.26 -4.04 5.22 0.18 -1.26 -0.10 117.16 118.72 1xhs n TYR 6 Ca -0.03 -3.81 0.00 0.00 1.88 0.00 0.00 57.90 55.94 1xhs n TYR 6 Cb 0.52 -0.43 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 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 0.91 -1.63 2.01 -7.48 0.00 -1.26 -4.72 105.19 93.03 1xhs n GLY 7 Ca 0.25 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 0.21 -3.11 0.00 1.61 3.41 -1.26 -4.76 113.62 109.73 1xhs n SER 8 Ca 0.00 0.26 0.03 0.00 -0.26 0.00 0.00 58.87 58.90 1xhs n SER 8 Cb 0.00 -2.89 0.20 0.00 -0.26 0.00 0.00 64.21 61.26 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 -2.02 0.00 -0.20 1.04 -0.00 -1.26 -2.70 117.00 111.86 1xhs n LEU 9 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.81 1xhs n LEU 9 Cb 0.43 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.87 1xhs n LEU 9 CO 0.16 0.00 0.95 0.03 -0.00 0.00 0.00 177.39 178.53 1xhs h ARG 10 N 0.00 0.87 -4.22 1.47 2.47 -2.03 -3.32 114.38 109.62 1xhs h ARG 10 Ca 0.00 -0.18 -0.74 0.00 -1.26 0.00 0.00 59.98 57.80 1xhs h ARG 10 Cb 0.00 -0.13 -0.14 0.00 -1.65 0.00 0.00 29.97 28.05 1xhs h ARG 10 CO 0.00 0.78 1.98 1.58 0.56 0.00 0.00 179.97 184.87 1xhs n HIS 11 N -4.45 3.86 -2.12 3.04 -0.00 -1.10 -4.87 115.22 109.59 1xhs n HIS 11 Ca 0.03 -3.00 -0.42 0.00 0.46 0.00 0.00 57.72 54.78 1xhs n HIS 11 Cb 0.19 -2.18 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1xhs n HIS 11 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 1xhs n LYS 12 N 5.21 3.40 -1.12 1.57 4.81 -1.25 -4.80 118.16 125.99 1xhs n LYS 12 Ca 0.41 -3.21 0.00 0.00 -0.87 0.00 0.00 58.31 54.64 1xhs n LYS 12 Cb 0.40 -3.03 0.00 0.00 0.02 0.00 0.00 35.03 32.42 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 4.51 0.00 0.00 1.64 0.00 -1.26 -4.49 117.38 117.77 1xhs n GLN 13 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 1xhs n GLN 13 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.61 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 0.00 -0.36 1.81 1.69 0.00 -1.26 -4.84 105.19 102.23 1xhs n GLY 14 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1xhs n GLY 14 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xhs n ASN 15 N 0.00 0.00 0.00 1.61 3.02 -1.26 -5.07 115.26 113.56 1xhs n ASN 15 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1xhs n ASN 15 Cb 0.00 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1xhs n ASN 15 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xhs n SER 16 N -2.52 0.00 0.30 6.41 3.41 -1.26 -4.93 113.62 115.04 1xhs n SER 16 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1xhs n SER 16 Cb 0.00 0.14 1.02 0.00 -0.26 0.00 0.00 64.21 65.11 1xhs n SER 16 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1xhs h HIS 17 N 0.00 0.00 0.04 7.33 3.86 -1.98 -2.27 115.15 122.13 1xhs h HIS 17 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1xhs h HIS 17 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xhs h HIS 17 CO 0.00 0.00 -0.02 2.35 0.86 0.00 0.00 177.93 181.12 1xhs h TRP 18 N 0.00 -0.06 -0.06 2.45 2.91 -1.91 -3.07 115.95 116.21 1xhs h TRP 18 Ca 0.00 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1xhs h TRP 18 Cb 0.13 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 1xhs h TRP 18 CO 0.00 -0.03 -0.21 0.00 -1.03 0.00 0.00 178.44 177.17 1xhs h MET 19 N -0.47 0.09 0.00 2.65 -0.00 -1.75 -1.06 114.93 114.40 1xhs h MET 19 Ca -0.01 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.70 59.47 1xhs h MET 19 Cb 0.05 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 31.60 1xhs h MET 19 CO 0.01 0.30 -1.05 1.15 -0.00 0.00 0.00 176.91 177.32 1xhs h THR 20 N 0.09 1.38 -0.16 -0.10 2.02 -1.60 -3.35 112.91 111.19 1xhs h THR 20 Ca 0.02 -3.05 0.00 0.00 0.77 0.00 0.00 66.41 64.14 1xhs h THR 20 Cb 0.42 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1xhs h THR 20 CO 0.03 0.79 0.00 0.59 0.37 0.00 0.00 175.52 177.30 1xhs n ASN 21 N -3.26 3.02 -4.63 4.18 4.13 -0.98 -4.98 115.26 112.74 1xhs n ASN 21 Ca -0.03 -2.72 -0.40 0.00 1.68 0.00 0.00 54.58 53.11 1xhs n ASN 21 Cb 0.92 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.71 1xhs n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xhs s ALA 22 N -2.28 3.58 -0.13 5.41 0.00 -0.44 -3.86 121.76 124.04 1xhs s ALA 22 Ca 0.30 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1xhs s ALA 22 Cb 0.24 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.45 1xhs s ALA 22 CO 0.07 -0.67 -0.14 -1.14 0.00 0.00 0.00 175.76 173.88 1xhs s GLN 23 N 2.15 3.33 -0.62 0.00 0.74 0.13 -4.97 119.66 120.43 1xhs s GLN 23 Ca 0.23 -0.71 -0.28 0.00 0.05 0.00 0.00 55.36 54.65 1xhs s GLN 23 Cb -0.16 -2.61 0.03 0.00 1.10 0.00 0.00 33.01 31.37 1xhs s GLN 23 CO 0.09 0.17 1.28 -1.17 -0.55 0.00 0.00 175.29 175.11 1xhs s LEU 24 N 0.45 3.36 0.05 3.68 2.96 -1.26 0.04 118.68 127.96 1xhs s LEU 24 Ca -0.10 0.00 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 1xhs s LEU 24 Cb -0.16 -2.97 -0.13 0.00 0.50 0.00 0.00 46.19 43.43 1xhs s LEU 24 CO 0.05 -1.65 1.35 -0.07 -1.32 0.00 0.00 176.35 174.71 1xhs h LEU 25 N 12.58 0.48 0.00 -0.68 3.38 -1.64 -3.48 115.31 125.95 1xhs h LEU 25 Ca -0.26 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1xhs h LEU 25 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1xhs h LEU 25 CO 1.21 0.87 0.00 0.61 0.09 0.00 0.00 178.44 181.22 1xhs n GLY 26 N 0.22 3.20 3.77 0.83 0.00 -0.94 -5.01 105.19 107.25 1xhs n GLY 26 Ca -0.06 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 5.36 -0.43 1.61 1.11 -1.26 -1.21 116.67 121.84 1xhs s ASP 27 Ca 0.00 2.16 0.07 0.00 0.18 0.00 0.00 52.55 54.96 1xhs s ASP 27 Cb 0.00 -2.57 0.18 0.00 1.07 0.00 0.00 42.92 41.59 1xhs s ASP 27 CO 0.00 -1.47 0.59 0.12 1.18 0.00 0.00 175.17 175.59 1xhs s PHE 28 N -1.94 -1.29 0.01 4.23 5.36 0.38 -4.82 117.98 119.91 1xhs s PHE 28 Ca 0.72 -0.29 -0.30 0.00 -0.96 0.00 0.00 56.93 56.10 1xhs s PHE 28 Cb -0.24 0.12 -0.04 0.00 -0.34 0.00 0.00 43.02 42.52 1xhs s PHE 28 CO 0.34 -1.15 1.08 -1.12 -1.46 0.00 0.00 175.22 172.91 1xhs s SER 29 N 1.43 7.23 -0.09 6.13 0.01 -1.26 -3.54 113.70 123.62 1xhs s SER 29 Ca 0.21 1.79 0.02 0.00 1.31 0.00 0.00 55.95 59.28 1xhs s SER 29 Cb -0.05 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1xhs s SER 29 CO -0.06 -0.38 -0.15 0.27 0.41 0.00 0.00 173.24 173.33 1xhs s ILE 30 N 1.20 2.90 0.50 1.44 -4.36 -0.13 -4.84 121.20 117.91 1xhs s ILE 30 Ca 0.54 -0.75 -0.12 0.00 -0.26 0.00 0.00 60.65 60.07 1xhs s ILE 30 Cb -0.24 -2.17 -0.06 0.00 1.25 0.00 0.00 42.46 41.24 1xhs s ILE 30 CO 0.27 0.55 0.90 1.51 0.24 0.00 0.00 174.94 178.42 1xhs s ASP 31 N -0.09 6.46 -1.01 4.36 -4.77 -1.26 0.01 116.67 120.37 1xhs s ASP 31 Ca -0.03 1.32 -0.02 0.00 -3.30 0.00 0.00 52.55 50.53 1xhs s ASP 31 Cb -0.14 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 1xhs s ASP 31 CO 0.04 -0.59 0.29 0.59 0.70 0.00 0.00 175.17 176.20 1xhs n ASN 32 N -1.83 -4.35 -4.29 2.11 3.02 0.42 -4.88 115.26 105.47 1xhs n ASN 32 Ca 0.04 -0.14 -0.20 0.00 -0.03 0.00 0.00 54.58 54.25 1xhs n ASN 32 Cb 0.54 -3.30 -0.10 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.87 1.75 0.04 3.10 1.51 -0.62 0.15 117.35 120.41 1xhs s TYR 33 Ca 0.15 -1.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.06 1xhs s TYR 33 Cb -0.06 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1xhs s TYR 33 CO 0.18 -0.23 -0.03 -0.65 -1.11 0.00 0.00 175.55 173.71 1xhs s GLN 34 N -3.89 0.52 -0.10 -0.62 -0.21 0.22 -1.89 119.66 113.69 1xhs s GLN 34 Ca 0.34 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.71 1xhs s GLN 34 Cb 0.07 0.18 0.01 0.00 1.00 0.00 0.00 33.01 34.26 1xhs s GLN 34 CO 0.15 -0.09 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.87 1xhs s LEU 35 N -2.48 1.90 0.06 2.90 2.96 -0.98 -1.57 118.68 121.46 1xhs s LEU 35 Ca 0.00 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.28 1xhs s LEU 35 Cb 0.03 -1.19 -0.06 0.00 0.50 0.00 0.00 46.19 45.46 1xhs s LEU 35 CO -0.07 0.09 0.50 -0.31 -1.32 0.00 0.00 176.35 175.24 1xhs s TYR 36 N 0.59 3.74 -0.31 5.38 2.02 0.18 0.53 117.35 129.48 1xhs s TYR 36 Ca -0.15 1.12 -0.03 0.00 -0.37 0.00 0.00 57.07 57.65 1xhs s TYR 36 Cb -0.17 -2.39 0.05 0.00 -0.40 0.00 0.00 41.96 39.05 1xhs s TYR 36 CO 0.05 0.58 0.02 -1.12 -1.57 0.00 0.00 175.55 173.51 1xhs s SER 37 N -1.21 4.96 0.00 2.29 0.01 0.12 -2.61 113.70 117.26 1xhs s SER 37 Ca 0.28 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.29 1xhs s SER 37 Cb -0.18 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1xhs s SER 37 CO 0.17 -0.27 0.78 0.00 0.41 0.00 0.00 173.24 174.33 1xhs n LEU 38 N 4.65 1.53 0.00 2.44 -0.00 -1.26 -2.45 117.00 121.91 1xhs n LEU 38 Ca -0.13 -1.53 0.00 0.00 -0.00 0.00 0.00 56.01 54.35 1xhs n LEU 38 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1xhs n LEU 38 CO 0.27 0.38 0.00 0.61 -0.00 0.00 0.00 177.39 178.65 1xhs n GLY 39 N -0.29 1.98 0.13 1.47 0.00 -1.26 -4.67 105.19 102.54 1xhs n GLY 39 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.98 1.61 6.17 -1.99 -3.46 115.15 115.84 1xhs h HIS 40 Ca 0.00 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.16 1xhs h HIS 40 Cb 0.00 -0.11 -0.18 0.00 2.52 0.00 0.00 27.41 29.64 1xhs h HIS 40 CO 0.00 0.31 0.50 1.52 0.71 0.00 0.00 177.93 180.97 1xhs s TYR 41 N -5.80 -0.37 0.39 5.26 -0.85 -1.26 -5.17 117.35 109.55 1xhs s TYR 41 Ca -0.13 0.43 -0.23 0.00 -0.52 0.00 0.00 57.07 56.62 1xhs s TYR 41 Cb 0.08 0.50 -0.11 0.00 0.38 0.00 0.00 41.96 42.81 1xhs s TYR 41 CO 0.71 -0.47 0.95 -2.14 -1.52 0.00 0.00 175.55 173.08 1xhs s PRO 42 N -2.21 4.35 0.28 -3.49 0.02 -1.26 -4.24 135.00 128.44 1xhs s PRO 42 Ca 0.01 1.19 0.11 0.00 0.02 0.00 0.00 61.00 62.34 1xhs s PRO 42 Cb -0.01 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 1xhs s PRO 42 CO -0.04 0.07 -0.19 0.20 -0.33 0.00 0.00 177.00 176.72 1xhs s GLY 43 N -2.00 1.86 -0.03 0.52 0.00 -1.07 -4.94 107.32 101.66 1xhs s GLY 43 Ca 0.58 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.39 1xhs s GLY 43 CO 0.17 -1.95 0.11 0.00 0.00 0.00 0.00 173.10 171.42 1xhs s ALA 44 N -2.56 -0.27 0.22 3.20 0.00 -1.16 0.48 121.76 121.67 1xhs s ALA 44 Ca 0.29 0.19 -0.16 0.00 0.00 0.00 0.00 51.96 52.29 1xhs s ALA 44 Cb -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1xhs s ALA 44 CO 0.14 -0.09 0.52 0.14 0.00 0.00 0.00 175.76 176.47 1xhs s VAL 45 N -0.28 0.02 0.67 0.00 -7.23 -0.61 -3.93 120.40 109.04 1xhs s VAL 45 Ca -0.04 -1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.95 1xhs s VAL 45 Cb -0.03 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1xhs s VAL 45 CO 0.00 -0.08 1.08 -2.84 -0.31 0.00 0.00 175.10 172.95 1xhs s PRO 46 N -3.93 2.86 0.00 4.82 0.02 -1.26 0.69 135.00 138.19 1xhs s PRO 46 Ca 0.14 1.20 0.00 0.00 0.02 0.00 0.00 61.00 62.36 1xhs s PRO 46 Cb -0.01 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1xhs s PRO 46 CO 0.02 -1.18 0.00 0.41 -0.33 0.00 0.00 177.00 175.92 1xhs n GLY 47 N -1.11 -0.34 2.68 0.52 0.00 0.12 -4.49 105.19 102.57 1xhs n GLY 47 Ca 0.09 0.39 -0.21 0.00 0.00 0.00 0.00 46.02 46.30 1xhs n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xhs s ASN 48 N -4.00 1.80 0.00 1.61 2.47 -1.26 -4.24 114.94 111.32 1xhs s ASN 48 Ca 0.00 -1.60 0.00 0.00 0.42 0.00 0.00 52.86 51.68 1xhs s ASN 48 Cb 0.00 0.27 0.00 0.00 -1.45 0.00 0.00 41.25 40.07 1xhs s ASN 48 CO 0.00 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.69 1xhs n GLY 49 N 4.40 0.48 3.31 1.21 0.00 -0.79 -4.77 105.19 109.03 1xhs n GLY 49 Ca 0.09 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 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 4.96 -0.55 2.61 2.01 -1.20 -0.44 115.64 121.04 1xhs s THR 50 Ca 0.00 -1.42 -0.27 0.00 0.31 0.00 0.00 61.69 60.31 1xhs s THR 50 Cb 0.00 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 68.42 1xhs s THR 50 CO 0.00 -0.74 1.07 -0.69 -0.69 0.00 0.00 174.62 173.57 1xhs s VAL 51 N 1.56 4.21 -0.41 3.82 1.01 0.10 -3.75 120.40 126.93 1xhs s VAL 51 Ca 0.04 0.69 -0.28 0.00 0.00 0.00 0.00 61.98 62.43 1xhs s VAL 51 Cb -0.27 -4.62 -0.01 0.00 0.00 0.00 0.00 36.38 31.47 1xhs s VAL 51 CO 0.03 -1.18 1.75 -2.28 0.00 0.00 0.00 175.10 173.42 1xhs s HIS 52 N 4.43 1.87 0.08 5.22 5.04 -0.58 -0.95 115.29 130.39 1xhs s HIS 52 Ca 0.38 0.67 0.09 0.00 -1.54 0.00 0.00 55.06 54.66 1xhs s HIS 52 Cb -0.09 -4.15 -0.03 0.00 0.04 0.00 0.00 32.58 28.35 1xhs s HIS 52 CO 0.24 -2.64 -0.23 0.20 -2.34 0.00 0.00 174.74 169.96 1xhs s GLY 53 N 6.23 1.29 -0.41 1.59 0.00 -1.23 -4.20 107.32 110.58 1xhs s GLY 53 Ca 0.74 -1.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.12 1xhs s GLY 53 CO 0.30 -1.18 0.27 -0.54 0.00 0.00 0.00 173.10 171.96 1xhs s GLU 54 N -1.56 2.79 -0.30 2.90 8.01 0.86 -0.47 118.70 130.93 1xhs s GLU 54 Ca 0.09 -1.27 -0.28 0.00 0.01 0.00 0.00 54.97 53.53 1xhs s GLU 54 Cb -0.10 -3.86 0.01 0.00 -4.31 0.00 0.00 34.13 25.88 1xhs s GLU 54 CO 0.03 -0.86 1.01 0.08 0.01 0.00 0.00 175.26 175.53 1xhs s VAL 55 N 1.54 4.59 0.08 2.63 1.01 -0.35 -1.26 120.40 128.63 1xhs s VAL 55 Ca 0.03 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.75 1xhs s VAL 55 Cb -0.22 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 1xhs s VAL 55 CO 0.05 -0.39 -0.16 -0.31 0.00 0.00 0.00 175.10 174.29 1xhs s TYR 56 N 3.45 2.60 -0.14 5.22 1.51 -0.81 -1.62 117.35 127.56 1xhs s TYR 56 Ca 0.43 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 1xhs s TYR 56 Cb -0.13 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 1xhs s TYR 56 CO 0.13 0.34 -0.04 0.50 -1.11 0.00 0.00 175.55 175.38 1xhs s ARG 57 N -1.83 3.52 0.12 -0.62 3.52 0.11 -1.26 118.95 122.50 1xhs s ARG 57 Ca 0.17 -0.51 -0.02 0.00 -0.13 0.00 0.00 55.73 55.24 1xhs s ARG 57 Cb -0.11 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1xhs s ARG 57 CO 0.09 0.33 0.06 0.96 -0.81 0.00 0.00 175.30 175.93 1xhs s ILE 58 N 0.12 0.12 0.37 4.11 -5.25 -0.05 0.21 121.20 120.83 1xhs s ILE 58 Ca -0.01 -1.83 -0.26 0.00 -0.99 0.00 0.00 60.65 57.56 1xhs s ILE 58 Cb -0.14 -1.91 -0.12 0.00 2.95 0.00 0.00 42.46 43.25 1xhs s ILE 58 CO 0.03 -0.56 1.01 -0.67 -1.79 0.00 0.00 174.94 172.95 1xhs n ASP 59 N -0.06 1.30 -0.11 4.36 2.03 -1.25 0.87 116.55 123.68 1xhs n ASP 59 Ca -0.08 1.10 -0.05 0.00 0.52 0.00 0.00 54.79 56.28 1xhs n ASP 59 Cb 0.63 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.72 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 1.75 -0.09 0.05 1.67 2.35 -1.99 -1.97 115.58 117.35 1xhs h ASN 60 Ca -0.43 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 1xhs h ASN 60 Cb 1.34 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1xhs h ASN 60 CO 0.58 -0.01 -0.25 0.00 -1.65 0.00 0.00 177.43 176.10 1xhs h ALA 61 N 1.31 1.23 -0.82 -0.83 0.00 -1.99 -1.28 119.26 116.89 1xhs h ALA 61 Ca 0.18 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1xhs h ALA 61 Cb 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1xhs h ALA 61 CO -0.28 0.50 0.53 1.15 0.00 0.00 0.00 179.25 181.16 1xhs h THR 62 N 0.31 0.96 -0.45 0.00 2.02 -1.73 0.14 112.91 114.15 1xhs h THR 62 Ca 0.05 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.87 1xhs h THR 62 Cb 0.61 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1xhs h THR 62 CO 0.04 0.14 -0.05 0.25 0.37 0.00 0.00 175.52 176.27 1xhs h LEU 63 N 0.78 0.83 -1.89 2.58 7.12 -0.76 -0.80 115.31 123.17 1xhs h LEU 63 Ca 0.37 -0.34 -0.02 0.00 0.13 0.00 0.00 57.88 58.03 1xhs h LEU 63 Cb 0.42 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1xhs h LEU 63 CO -0.15 0.97 -0.10 0.00 -0.13 0.00 0.00 178.44 179.03 1xhs h ALA 64 N 0.89 1.20 -0.04 1.25 0.00 -0.98 0.28 119.26 121.86 1xhs h ALA 64 Ca 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xhs h ALA 64 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xhs h ALA 64 CO 0.03 0.13 -0.09 1.49 0.00 0.00 0.00 179.25 180.81 1xhs h GLU 65 N 0.00 0.13 -0.29 0.00 4.81 0.21 -2.08 114.58 117.36 1xhs h GLU 65 Ca -0.00 -0.09 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1xhs h GLU 65 Cb 0.36 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1xhs h GLU 65 CO 0.01 0.69 -0.16 1.25 -0.73 0.00 0.00 179.01 180.07 1xhs h LEU 66 N -0.41 0.51 0.31 1.64 6.46 -0.75 -1.98 115.31 121.08 1xhs h LEU 66 Ca -0.00 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 1xhs h LEU 66 Cb 0.69 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1xhs h LEU 66 CO 0.02 0.69 -0.26 -0.78 -0.62 0.00 0.00 178.44 177.49 1xhs h ASP 67 N 0.47 -0.69 0.22 1.25 3.58 -0.46 0.64 116.42 121.44 1xhs h ASP 67 Ca 0.08 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xhs h ASP 67 Cb 0.55 0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.83 1xhs h ASP 67 CO 0.04 -0.39 -0.09 0.00 -2.88 0.00 0.00 179.24 175.92 1xhs h ALA 68 N 0.03 1.43 0.00 -0.78 0.00 -1.19 -2.30 119.26 116.44 1xhs h ALA 68 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1xhs h ALA 68 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xhs h ALA 68 CO -0.03 0.11 -0.51 -0.07 0.00 0.00 0.00 179.25 178.76 1xhs h LEU 69 N 0.00 0.00 -0.65 0.00 3.38 -0.83 -3.40 115.31 113.81 1xhs h LEU 69 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xhs h LEU 69 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xhs h LEU 69 CO 0.01 0.91 0.00 -1.14 0.09 0.00 0.00 178.44 178.31 1xhs n ARG 70 N -4.61 1.42 -0.02 1.13 0.63 0.22 -4.91 116.66 110.51 1xhs n ARG 70 Ca -0.12 -0.64 0.00 0.00 -0.92 0.00 0.00 57.85 56.17 1xhs n ARG 70 Cb 0.33 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 31.99 1xhs n ARG 70 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1xhs n THR 71 N -0.06 -0.12 0.05 5.15 5.66 -1.05 -4.77 114.28 119.13 1xhs n THR 71 Ca 0.11 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.12 1xhs n THR 71 Cb 0.18 -0.12 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 0.00 1.09 2.43 -1.72 -3.45 114.38 112.74 1xhs h ARG 72 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xhs h ARG 72 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xhs h ARG 72 CO 0.00 0.27 0.00 0.41 -1.51 0.00 0.00 179.97 179.14 1xhs n GLY 73 N 1.35 0.00 1.71 2.80 0.00 -1.24 -4.66 105.19 105.15 1xhs n GLY 73 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.14 0.14 -0.02 0.00 -1.26 -4.86 105.19 99.04 1xhs n GLY 74 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 0.45 -4.39 1.61 4.57 -1.92 -3.46 114.58 111.43 1xhs h GLU 75 Ca 0.00 -0.72 -0.21 0.00 -1.18 0.00 0.00 59.36 57.25 1xhs h GLU 75 Cb 0.13 0.26 -0.14 0.00 -0.16 0.00 0.00 28.75 28.84 1xhs h GLU 75 CO 0.00 1.33 -0.50 0.71 -1.18 0.00 0.00 179.01 179.37 1xhs s TYR 76 N -2.71 1.01 0.15 0.92 2.02 -1.26 -3.35 117.35 114.13 1xhs s TYR 76 Ca -0.07 -1.25 0.10 0.00 -0.37 0.00 0.00 57.07 55.48 1xhs s TYR 76 Cb 0.06 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.17 1xhs s TYR 76 CO 0.92 -0.73 -0.20 0.00 -1.57 0.00 0.00 175.55 173.97 1xhs s ALA 77 N -4.09 2.61 -0.17 3.71 0.00 -0.89 -3.65 121.76 119.29 1xhs s ALA 77 Ca 0.35 -1.49 -0.21 0.00 0.00 0.00 0.00 51.96 50.61 1xhs s ALA 77 Cb 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1xhs s ALA 77 CO 0.12 0.51 0.63 1.03 0.00 0.00 0.00 175.76 178.05 1xhs s ARG 78 N -2.41 4.26 -0.24 0.00 0.52 -1.26 -0.42 118.95 119.41 1xhs s ARG 78 Ca 0.19 0.65 -0.08 0.00 -0.52 0.00 0.00 55.73 55.97 1xhs s ARG 78 Cb -0.09 -3.54 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 1xhs s ARG 78 CO 0.10 -0.15 0.08 -1.14 0.02 0.00 0.00 175.30 174.21 1xhs s GLN 79 N 1.60 3.73 -0.35 3.54 0.74 0.06 -4.91 119.66 124.07 1xhs s GLN 79 Ca 0.30 -0.44 -0.20 0.00 0.05 0.00 0.00 55.36 55.07 1xhs s GLN 79 Cb -0.16 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.61 1xhs s GLN 79 CO 0.12 -0.11 0.59 -1.17 -0.55 0.00 0.00 175.29 174.17 1xhs s LEU 80 N 1.43 4.29 0.09 3.68 2.96 -1.26 0.41 118.68 130.28 1xhs s LEU 80 Ca 0.06 0.08 0.07 0.00 -0.22 0.00 0.00 54.13 54.12 1xhs s LEU 80 Cb -0.15 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1xhs s LEU 80 CO 0.04 -0.56 -0.13 0.27 -1.32 0.00 0.00 176.35 174.66 1xhs s ILE 81 N 2.60 3.18 -0.47 6.68 -4.36 -0.51 -4.94 121.20 123.38 1xhs s ILE 81 Ca 0.22 -1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 59.11 1xhs s ILE 81 Cb -0.15 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.14 1xhs s ILE 81 CO 0.14 0.15 0.73 -1.58 0.24 0.00 0.00 174.94 174.62 1xhs s GLN 82 N -2.05 3.29 0.30 0.37 2.00 -1.26 0.20 119.66 122.52 1xhs s GLN 82 Ca 0.19 -0.37 0.06 0.00 -2.00 0.00 0.00 55.36 53.24 1xhs s GLN 82 Cb -0.11 -3.99 -0.02 0.00 0.80 0.00 0.00 33.01 29.70 1xhs s GLN 82 CO 0.11 -1.15 0.43 0.95 -0.50 0.00 0.00 175.29 175.13 1xhs s THR 83 N 3.10 4.49 -0.04 -0.34 -4.23 -0.88 -4.91 115.64 112.82 1xhs s THR 83 Ca 0.25 -0.99 0.27 0.00 -1.18 0.00 0.00 61.69 60.03 1xhs s THR 83 Cb -0.14 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.41 1xhs s THR 83 CO 0.19 -0.22 1.83 1.55 -0.54 0.00 0.00 174.62 177.43 1xhs h PRO 84 N 0.99 0.00 -0.02 3.99 0.13 -2.00 -0.07 132.00 135.02 1xhs h PRO 84 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xhs h PRO 84 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xhs h PRO 84 CO 0.56 0.00 -0.24 0.66 -0.23 0.00 0.00 178.00 178.75 1xhs n TYR 85 N -2.46 0.00 0.00 1.56 4.01 -1.26 -5.05 117.16 113.97 1xhs n TYR 85 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1xhs n TYR 85 Cb 0.07 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 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 1.36 3.38 3.67 2.72 0.00 -0.04 -5.03 105.19 111.25 1xhs n GLY 86 Ca 0.12 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1xhs n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xhs s SER 87 N 0.00 6.57 0.07 1.61 0.01 -1.26 -2.08 113.70 118.62 1xhs s SER 87 Ca 0.00 2.46 0.05 0.00 1.31 0.00 0.00 55.95 59.76 1xhs s SER 87 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1xhs s SER 87 CO 0.00 -0.96 -0.03 0.00 0.41 0.00 0.00 173.24 172.66 1xhs s ALA 88 N 3.83 3.20 -0.16 1.44 0.00 0.13 -4.61 121.76 125.59 1xhs s ALA 88 Ca 0.79 -1.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.40 1xhs s ALA 88 Cb -0.38 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.57 1xhs s ALA 88 CO 0.34 0.68 0.78 -1.58 0.00 0.00 0.00 175.76 175.98 1xhs s TRP 89 N -1.23 3.43 0.42 0.00 0.52 -0.91 -1.43 118.94 119.73 1xhs s TRP 89 Ca 0.23 1.20 0.08 0.00 0.02 0.00 0.00 56.10 57.63 1xhs s TRP 89 Cb -0.11 -2.95 -0.02 0.00 -1.15 0.00 0.00 33.47 29.23 1xhs s TRP 89 CO 0.15 -0.19 0.39 -1.64 0.02 0.00 0.00 176.95 175.68 1xhs s MET 90 N 1.96 2.53 -0.15 4.98 -1.94 0.17 -1.40 119.30 125.45 1xhs s MET 90 Ca 0.37 -1.54 -0.00 0.00 -1.71 0.00 0.00 55.69 52.80 1xhs s MET 90 Cb -0.17 -2.38 0.03 0.00 2.01 0.00 0.00 34.83 34.33 1xhs s MET 90 CO 0.13 -0.21 -0.08 0.71 -0.01 0.00 0.00 175.02 175.55 1xhs s TYR 91 N -2.48 1.81 -0.14 -0.03 1.51 -1.26 -0.76 117.35 116.00 1xhs s TYR 91 Ca 0.48 -1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1xhs s TYR 91 Cb -0.03 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1xhs s TYR 91 CO 0.28 -0.61 0.11 0.08 -1.11 0.00 0.00 175.55 174.30 1xhs s VAL 92 N 1.60 5.21 -0.16 0.71 1.01 0.44 -3.00 120.40 126.20 1xhs s VAL 92 Ca 0.03 0.10 -0.37 0.00 0.00 0.00 0.00 61.98 61.74 1xhs s VAL 92 Cb -0.14 -3.29 -0.14 0.00 0.00 0.00 0.00 36.38 32.82 1xhs s VAL 92 CO -0.09 0.56 1.80 0.00 0.00 0.00 0.00 175.10 177.38 1xhs n TYR 93 N 2.49 2.18 0.08 5.22 0.18 -1.25 -2.08 117.16 123.98 1xhs n TYR 93 Ca -0.19 0.26 0.01 0.00 1.88 0.00 0.00 57.90 59.87 1xhs n TYR 93 Cb 0.54 -2.56 0.01 0.00 -0.38 0.00 0.00 39.34 36.95 1xhs n TYR 93 CO 0.00 0.00 0.00 0.94 -2.08 0.00 0.00 176.86 175.72 1xhs n GLN 94 N 5.88 -0.17 -4.24 -3.48 -0.06 -1.21 -4.85 117.38 109.24 1xhs n GLN 94 Ca 0.24 -0.78 -0.18 0.00 -2.00 0.00 0.00 57.00 54.29 1xhs n GLN 94 Cb 0.22 -1.05 -0.13 0.00 -4.06 0.00 0.00 30.24 25.22 1xhs n GLN 94 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1xhs s ARG 95 N -0.31 0.77 -0.40 3.69 0.52 -1.25 -4.94 118.95 117.03 1xhs s ARG 95 Ca 0.03 -0.72 -0.44 0.00 -0.52 0.00 0.00 55.73 54.08 1xhs s ARG 95 Cb 0.02 -0.72 -0.19 0.00 0.52 0.00 0.00 34.95 34.58 1xhs s ARG 95 CO 0.03 0.17 1.45 -2.30 0.02 0.00 0.00 175.30 174.67 1xhs n PRO 96 N 1.84 0.00 -0.49 3.54 -0.01 -1.26 -4.87 135.00 133.76 1xhs n PRO 96 Ca -0.19 0.00 0.09 0.00 -0.01 0.00 0.00 63.50 63.39 1xhs n PRO 96 Cb 0.55 -1.44 0.30 0.00 -0.01 0.00 0.00 33.50 32.89 1xhs n PRO 96 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1xhs n VAL 97 N 3.42 1.71 -1.58 -1.45 0.24 -1.26 -4.94 118.33 114.47 1xhs n VAL 97 Ca 0.28 -1.27 -0.29 0.00 -2.04 0.00 0.00 64.34 61.02 1xhs n VAL 97 Cb -0.03 0.15 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.11 4.28 0.00 -1.34 1.11 -1.26 -0.82 116.67 117.53 1xhs s ASP 98 Ca 0.44 0.70 0.00 0.00 0.18 0.00 0.00 52.55 53.87 1xhs s ASP 98 Cb 0.29 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.76 1xhs s ASP 98 CO 0.20 -3.20 0.00 0.61 1.18 0.00 0.00 175.17 173.96 1xhs n GLY 99 N 6.27 0.97 3.94 0.21 0.00 -1.26 -5.13 105.19 110.19 1xhs n GLY 99 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.17 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 3.37 -0.07 0.99 1.43 0.00 -5.07 118.68 119.34 1xhs s LEU 100 Ca 0.00 0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 1xhs s LEU 100 Cb 0.00 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.90 1xhs s LEU 100 CO 0.00 -0.97 0.54 -0.54 0.23 0.00 0.00 176.35 175.61 1xhs s LYS 101 N -4.81 4.32 -0.39 1.70 -0.14 -1.03 -4.94 119.74 114.45 1xhs s LYS 101 Ca 0.53 0.59 -0.10 0.00 -1.36 0.00 0.00 55.97 55.63 1xhs s LYS 101 Cb -0.10 -3.39 0.05 0.00 -1.68 0.00 0.00 37.83 32.71 1xhs s LYS 101 CO 0.41 0.25 0.22 -1.17 -0.76 0.00 0.00 175.35 174.30 1xhs s LEU 102 N 0.28 4.87 -1.03 3.17 2.96 -1.26 0.14 118.68 127.81 1xhs s LEU 102 Ca 0.29 -1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 52.75 1xhs s LEU 102 Cb -0.17 -1.99 0.07 0.00 0.50 0.00 0.00 46.19 44.60 1xhs s LEU 102 CO 0.14 -0.45 1.41 -0.63 -1.32 0.00 0.00 176.35 175.49 1xhs s ILE 103 N 1.48 4.12 -1.04 6.68 1.01 0.19 -4.77 121.20 128.87 1xhs s ILE 103 Ca 0.02 -1.05 0.10 0.00 0.00 0.00 0.00 60.65 59.72 1xhs s ILE 103 Cb -0.21 -5.01 0.09 0.00 0.01 0.00 0.00 42.46 37.34 1xhs s ILE 103 CO 0.04 -1.85 1.31 -0.62 0.00 0.00 0.00 174.94 173.82 1xhs n GLU 104 N 8.31 0.02 0.19 2.79 1.02 -1.26 -1.45 120.64 130.25 1xhs n GLU 104 Ca 0.32 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.82 1xhs n GLU 104 Cb 0.50 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.77 1xhs n GLU 104 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1xhs h SER 105 N 0.00 0.00 0.00 1.62 0.02 -1.86 -3.35 113.55 109.99 1xhs h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xhs h SER 105 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xhs h SER 105 CO 0.00 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1xhs n GLY 106 N 0.04 2.48 3.87 -3.77 0.00 -0.53 -3.21 105.19 104.08 1xhs n GLY 106 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.61 6.32 0.30 1.61 -1.08 -1.25 -1.53 116.67 118.43 1xhs s ASP 107 Ca 0.00 0.42 0.09 0.00 -0.52 0.00 0.00 52.55 52.55 1xhs s ASP 107 Cb 0.00 -2.02 0.47 0.00 -1.46 0.00 0.00 42.92 39.91 1xhs s ASP 107 CO 0.00 0.38 1.69 -0.25 0.52 0.00 0.00 175.17 177.51 1xhs h TRP 108 N 4.73 0.11 0.15 -5.34 2.91 -1.84 -3.07 115.95 113.60 1xhs h TRP 108 Ca -0.53 -0.03 -0.30 0.00 1.13 0.00 0.00 58.89 59.16 1xhs h TRP 108 Cb 1.22 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 29.85 1xhs h TRP 108 CO 0.73 0.57 -1.38 -0.07 -1.03 0.00 0.00 178.44 177.26 1xhs h LEU 109 N 0.07 0.48 0.00 0.65 -0.00 -1.96 -3.47 115.31 111.09 1xhs h LEU 109 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 1xhs h LEU 109 Cb 0.90 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1xhs h LEU 109 CO 0.07 1.45 0.00 -0.67 -0.00 0.00 0.00 178.44 179.29 1xhs n ASP 110 N -3.54 0.00 0.03 -0.43 2.03 -1.16 -1.67 116.55 111.81 1xhs n ASP 110 Ca -0.12 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.20 1xhs n ASP 110 Cb 1.04 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.79 1xhs n ASP 110 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1xhs h ARG 111 N 0.00 0.45 -5.19 -0.67 -0.00 -1.91 -3.49 114.38 103.57 1xhs h ARG 111 Ca 0.00 -0.08 0.01 0.00 -0.00 0.00 0.00 59.98 59.90 1xhs h ARG 111 Cb 0.00 -0.07 -0.08 0.00 -0.00 0.00 0.00 29.97 29.82 1xhs h ARG 111 CO 0.00 0.47 -1.29 -3.47 -0.00 0.00 0.00 179.97 175.67 1xhs n ASP 112 N -4.31 -3.33 -0.71 0.08 -0.08 -0.67 -5.25 116.55 102.27 1xhs n ASP 112 Ca 0.01 1.32 0.09 0.00 -1.51 0.00 0.00 54.79 54.70 1xhs n ASP 112 Cb 0.22 -4.88 0.07 0.00 2.34 0.00 0.00 41.12 38.88 1xhs n ASP 112 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61