#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5d s LYS 2 N 0.00 0.40 0.01 1.61 2.20 -0.45 -4.33 119.74 119.19 1a5d s LYS 2 Ca 0.00 0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 56.21 1a5d s LYS 2 Cb 0.00 0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.41 1a5d s LYS 2 CO 0.00 -0.10 0.03 -1.50 -0.36 0.00 0.00 175.35 173.42 1a5d s ILE 3 N 0.74 0.09 -0.08 5.43 2.07 -0.03 -0.91 121.20 128.52 1a5d s ILE 3 Ca -0.04 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.43 1a5d s ILE 3 Cb -0.05 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.25 1a5d s ILE 3 CO -0.05 -0.43 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.56 1a5d s THR 4 N -1.34 1.06 -0.13 4.00 2.01 -0.77 0.90 115.64 121.37 1a5d s THR 4 Ca -0.15 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1a5d s THR 4 Cb -0.09 -1.01 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1a5d s THR 4 CO -0.00 0.35 0.10 -0.36 -0.69 0.00 0.00 174.62 174.02 1a5d s PHE 5 N 1.06 3.45 0.00 4.92 0.08 0.38 -1.57 117.98 126.30 1a5d s PHE 5 Ca -0.07 0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.44 1a5d s PHE 5 Cb -0.14 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1a5d s PHE 5 CO -0.01 0.57 -0.21 0.71 -0.10 0.00 0.00 175.22 176.18 1a5d s TYR 6 N -0.69 2.48 -0.02 0.36 2.02 0.71 -0.91 117.35 121.30 1a5d s TYR 6 Ca 0.13 -0.32 -0.25 0.00 -0.37 0.00 0.00 57.07 56.26 1a5d s TYR 6 Cb -0.12 -1.50 -0.20 0.00 -0.40 0.00 0.00 41.96 39.74 1a5d s TYR 6 CO 0.03 0.12 1.20 0.93 -1.57 0.00 0.00 175.55 176.26 1a5d h GLU 7 N 5.08 0.11 -6.40 -0.62 5.08 -1.33 -0.02 114.58 116.48 1a5d h GLU 7 Ca -0.46 -0.07 -0.46 0.00 -1.00 0.00 0.00 59.36 57.37 1a5d h GLU 7 Cb 1.14 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1a5d h GLU 7 CO 0.47 0.66 -0.28 -0.51 -1.00 0.00 0.00 179.01 178.35 1a5d s ASP 8 N -5.94 6.17 1.03 1.42 1.01 -1.13 -2.45 116.67 116.79 1a5d s ASP 8 Ca -0.16 0.18 -0.14 0.00 0.71 0.00 0.00 52.55 53.14 1a5d s ASP 8 Cb 0.02 -1.75 0.21 0.00 1.01 0.00 0.00 42.92 42.40 1a5d s ASP 8 CO 0.70 -0.31 1.11 0.00 0.21 0.00 0.00 175.17 176.89 1a5d s ARG 9 N -4.21 0.14 -1.62 8.23 1.70 -1.26 -3.23 118.95 118.69 1a5d s ARG 9 Ca 0.40 0.29 0.00 0.00 -0.47 0.00 0.00 55.73 55.95 1a5d s ARG 9 Cb -0.09 -1.72 0.00 0.00 -0.57 0.00 0.00 34.95 32.56 1a5d s ARG 9 CO 0.33 -2.87 0.00 0.41 -1.08 0.00 0.00 175.30 172.09 1a5d n GLY 10 N -1.36 1.19 2.78 3.88 0.00 0.35 -2.77 105.19 109.27 1a5d n GLY 10 Ca 0.07 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1a5d n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1a5d n PHE 11 N -2.86 -1.75 -4.36 1.61 3.72 -1.26 -5.04 117.46 107.52 1a5d n PHE 11 Ca -0.17 0.64 -0.30 0.00 -0.05 0.00 0.00 57.45 57.58 1a5d n PHE 11 Cb 0.55 -3.67 -0.04 0.00 -0.94 0.00 0.00 39.48 35.37 1a5d n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1a5d s GLN 12 N -5.62 2.22 1.61 -1.08 -1.52 -1.11 -5.06 119.66 109.09 1a5d s GLN 12 Ca 0.29 -2.22 0.00 0.00 -1.95 0.00 0.00 55.36 51.48 1a5d s GLN 12 Cb -0.13 -1.79 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 1a5d s GLN 12 CO 0.47 -0.47 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 1a5d n GLY 13 N -1.49 -1.45 3.75 3.09 0.00 -1.26 -2.83 105.19 105.00 1a5d n GLY 13 Ca -0.11 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1a5d n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5d s ARG 14 N 0.00 2.36 0.15 1.61 3.52 -1.26 -4.75 118.95 120.58 1a5d s ARG 14 Ca 0.00 1.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.99 1a5d s ARG 14 Cb 0.00 -1.89 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 1a5d s ARG 14 CO 0.00 -1.60 0.18 -3.38 -0.81 0.00 0.00 175.30 169.68 1a5d s HIS 15 N -2.41 0.62 -0.07 5.12 -3.43 -1.26 -1.55 115.29 112.31 1a5d s HIS 15 Ca 0.67 -0.99 -0.03 0.00 -0.80 0.00 0.00 55.06 53.91 1a5d s HIS 15 Cb -0.22 -0.26 0.04 0.00 -1.43 0.00 0.00 32.58 30.71 1a5d s HIS 15 CO 0.47 -0.63 0.14 -0.47 -2.00 0.00 0.00 174.74 172.25 1a5d s TYR 16 N -4.01 -0.13 0.07 0.38 5.04 -0.08 -4.95 117.35 113.67 1a5d s TYR 16 Ca 0.21 0.53 -0.16 0.00 -2.44 0.00 0.00 57.07 55.21 1a5d s TYR 16 Cb 0.05 -0.28 -0.06 0.00 0.35 0.00 0.00 41.96 42.02 1a5d s TYR 16 CO 0.01 -0.25 0.50 -2.00 -1.34 0.00 0.00 175.55 172.47 1a5d s GLU 17 N 2.16 4.02 -0.03 4.97 2.12 -1.26 -0.47 118.70 130.21 1a5d s GLU 17 Ca 0.02 0.53 -0.05 0.00 0.36 0.00 0.00 54.97 55.84 1a5d s GLU 17 Cb -0.12 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1a5d s GLU 17 CO -0.05 0.61 0.12 0.00 -0.54 0.00 0.00 175.26 175.40 1a5d n SER 19 N 2.43 0.65 -4.00 0.00 3.41 -1.26 -0.85 113.62 113.99 1a5d n SER 19 Ca -0.16 -1.40 -0.14 0.00 -0.26 0.00 0.00 58.87 56.91 1a5d n SER 19 Cb 0.58 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1a5d n SER 19 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1a5d s THR 20 N -0.36 0.02 0.62 6.66 -4.23 -1.26 -4.66 115.64 112.42 1a5d s THR 20 Ca 0.01 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.34 1a5d s THR 20 Cb 0.01 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1a5d s THR 20 CO 0.00 0.00 1.21 -1.81 -0.54 0.00 0.00 174.62 173.48 1a5d s ASP 21 N -3.22 5.02 -0.11 3.99 1.01 -1.26 -4.70 116.67 117.40 1a5d s ASP 21 Ca 0.39 2.38 -0.05 0.00 0.71 0.00 0.00 52.55 55.99 1a5d s ASP 21 Cb 0.06 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1a5d s ASP 21 CO 0.16 -1.71 0.25 -1.00 0.21 0.00 0.00 175.17 173.08 1a5d s HIS 22 N -1.66 -0.36 -0.26 4.23 3.76 -0.72 -4.98 115.29 115.29 1a5d s HIS 22 Ca 0.77 0.85 0.20 0.00 -0.15 0.00 0.00 55.06 56.73 1a5d s HIS 22 Cb -0.30 -0.01 0.10 0.00 1.11 0.00 0.00 32.58 33.48 1a5d s HIS 22 CO 0.35 -0.29 1.30 0.66 -0.85 0.00 0.00 174.74 175.92 1a5d h SER 23 N 7.74 0.00 -2.07 1.40 4.64 -1.87 -0.56 113.55 122.84 1a5d h SER 23 Ca -0.28 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.84 1a5d h SER 23 Cb 1.13 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.91 1a5d h SER 23 CO 0.26 0.24 -0.53 0.21 -0.87 0.00 0.00 176.83 176.14 1a5d s ASN 24 N -6.02 0.61 0.00 4.97 2.47 -1.24 -0.38 114.94 115.36 1a5d s ASN 24 Ca 0.03 0.05 0.24 0.00 0.42 0.00 0.00 52.86 53.59 1a5d s ASN 24 Cb 0.07 0.89 0.29 0.00 -1.45 0.00 0.00 41.25 41.05 1a5d s ASN 24 CO 0.74 -0.31 1.26 0.18 -3.72 0.00 0.00 177.10 175.25 1a5d n LEU 25 N 5.35 0.69 -0.38 3.21 4.77 0.27 -4.47 117.00 126.44 1a5d n LEU 25 Ca -0.04 -0.17 0.29 0.00 -0.03 0.00 0.00 56.01 56.07 1a5d n LEU 25 Cb 0.50 -0.17 0.57 0.00 -2.33 0.00 0.00 43.42 41.99 1a5d n LEU 25 CO 0.06 0.17 1.21 1.56 -1.33 0.00 0.00 177.39 179.06 1a5d h GLN 26 N 0.08 0.23 0.00 3.23 4.20 -1.76 0.12 115.11 121.22 1a5d h GLN 26 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1a5d h GLN 26 Cb 0.50 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1a5d h GLN 26 CO 0.00 0.15 0.00 -2.30 -0.67 0.00 0.00 178.83 176.01 1a5d n PRO 27 N -4.71 0.03 -0.09 1.46 -0.02 -1.26 -3.54 135.00 126.87 1a5d n PRO 27 Ca 0.32 0.32 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1a5d n PRO 27 Cb 1.15 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 33.05 1a5d n PRO 27 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1a5d n TYR 28 N -1.46 0.00 -3.78 6.00 4.01 0.42 -5.06 117.16 117.31 1a5d n TYR 28 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1a5d n TYR 28 Cb 0.10 -0.69 -0.07 0.00 -0.31 0.00 0.00 39.34 38.37 1a5d n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1a5d s PHE 29 N -2.36 -0.04 -0.14 -0.72 -0.12 -1.19 -4.87 117.98 108.54 1a5d s PHE 29 Ca -0.25 -0.17 0.07 0.00 -0.05 0.00 0.00 56.93 56.54 1a5d s PHE 29 Cb 0.07 0.06 -0.23 0.00 -0.63 0.00 0.00 43.02 42.29 1a5d s PHE 29 CO 0.40 -0.51 0.29 0.43 -0.05 0.00 0.00 175.22 175.77 1a5d n SER 30 N 0.43 1.15 -4.04 1.98 7.64 -1.26 -4.28 113.62 115.25 1a5d n SER 30 Ca -0.18 0.17 -0.08 0.00 1.01 0.00 0.00 58.87 59.79 1a5d n SER 30 Cb 0.60 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 1a5d n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5d s ARG 31 N -2.55 0.75 -0.19 1.43 1.70 -1.26 -4.89 118.95 113.94 1a5d s ARG 31 Ca -0.15 -1.19 -0.04 0.00 -0.47 0.00 0.00 55.73 53.88 1a5d s ARG 31 Cb 0.07 0.26 0.06 0.00 -0.57 0.00 0.00 34.95 34.77 1a5d s ARG 31 CO 0.77 -0.19 0.06 0.00 -1.08 0.00 0.00 175.30 174.86 1a5d n ASN 33 N 5.13 1.48 -3.83 0.00 4.13 -0.04 -4.47 115.26 117.65 1a5d n ASN 33 Ca -0.08 -0.41 -0.12 0.00 1.68 0.00 0.00 54.58 55.65 1a5d n ASN 33 Cb 0.48 1.16 -0.12 0.00 -1.54 0.00 0.00 39.78 39.76 1a5d n ASN 33 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1a5d s SER 34 N -2.26 -0.12 0.00 6.41 0.15 -1.10 -2.48 113.70 114.29 1a5d s SER 34 Ca 0.01 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.85 1a5d s SER 34 Cb 0.06 0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1a5d s SER 34 CO 0.34 -0.13 -0.02 -0.69 1.20 0.00 0.00 173.24 173.94 1a5d s VAL 35 N -0.28 0.12 -0.30 4.45 1.01 -0.69 -0.21 120.40 124.51 1a5d s VAL 35 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1a5d s VAL 35 Cb -0.03 -0.12 0.09 0.00 0.00 0.00 0.00 36.38 36.32 1a5d s VAL 35 CO 0.01 0.01 0.03 -0.13 0.00 0.00 0.00 175.10 175.02 1a5d s ARG 36 N -0.10 1.25 -0.51 2.72 0.52 -0.61 -0.79 118.95 121.43 1a5d s ARG 36 Ca -0.00 -1.32 -0.24 0.00 -0.52 0.00 0.00 55.73 53.64 1a5d s ARG 36 Cb -0.01 -2.60 0.04 0.00 0.52 0.00 0.00 34.95 32.90 1a5d s ARG 36 CO -0.00 -0.85 0.92 0.08 0.02 0.00 0.00 175.30 175.47 1a5d s VAL 37 N 1.30 4.44 -0.01 3.52 1.01 0.27 -1.85 120.40 129.08 1a5d s VAL 37 Ca 0.05 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 1a5d s VAL 37 Cb -0.18 -4.49 -0.17 0.00 0.00 0.00 0.00 36.38 31.54 1a5d s VAL 37 CO -0.13 -0.99 1.18 -0.78 0.00 0.00 0.00 175.10 174.38 1a5d h ASP 38 N 9.21 -0.20 -5.01 3.32 3.58 -1.28 -2.39 116.42 123.65 1a5d h ASP 38 Ca -0.25 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 56.83 1a5d h ASP 38 Cb 1.07 0.05 -0.18 0.00 1.72 0.00 0.00 39.33 42.00 1a5d h ASP 38 CO 1.06 0.23 0.05 -0.94 -2.88 0.00 0.00 179.24 176.75 1a5d s SER 39 N -5.35 -0.48 0.00 2.28 1.04 -1.06 -4.79 113.70 105.35 1a5d s SER 39 Ca -0.14 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1a5d s SER 39 Cb 0.02 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1a5d s SER 39 CO 0.57 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1a5d n GLY 40 N 0.70 2.48 3.39 7.32 0.00 -1.26 -1.34 105.19 116.47 1a5d n GLY 40 Ca -0.19 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1a5d n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5d s TRP 42 N 1.56 2.31 -0.27 0.00 0.52 0.16 0.22 118.94 123.43 1a5d s TRP 42 Ca 0.06 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.81 1a5d s TRP 42 Cb -0.15 -1.24 0.06 0.00 -1.15 0.00 0.00 33.47 30.99 1a5d s TRP 42 CO 0.01 0.35 -0.07 1.41 0.02 0.00 0.00 176.95 178.67 1a5d s MET 43 N -2.11 2.31 0.02 4.98 1.75 -0.73 -0.00 119.30 125.51 1a5d s MET 43 Ca 0.15 -1.32 -0.14 0.00 -1.25 0.00 0.00 55.69 53.12 1a5d s MET 43 Cb -0.10 -3.00 -0.06 0.00 2.84 0.00 0.00 34.83 34.52 1a5d s MET 43 CO 0.06 -0.59 0.42 -0.51 -0.65 0.00 0.00 175.02 173.75 1a5d s LEU 44 N 1.15 4.46 0.04 4.11 1.02 0.19 -1.65 118.68 128.00 1a5d s LEU 44 Ca -0.08 0.96 0.09 0.00 0.02 0.00 0.00 54.13 55.12 1a5d s LEU 44 Cb -0.20 -2.69 -0.03 0.00 0.02 0.00 0.00 46.19 43.30 1a5d s LEU 44 CO -0.04 0.29 -0.25 -0.31 0.02 0.00 0.00 176.35 176.07 1a5d s TYR 45 N -1.14 2.37 0.20 0.29 1.51 -0.38 0.55 117.35 120.74 1a5d s TYR 45 Ca 0.26 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 1a5d s TYR 45 Cb -0.16 -1.41 0.09 0.00 -0.11 0.00 0.00 41.96 40.36 1a5d s TYR 45 CO 0.15 0.14 1.45 1.49 -1.11 0.00 0.00 175.55 177.66 1a5d h GLU 46 N 4.80 0.09 -5.93 -0.62 4.81 -0.56 0.11 114.58 117.28 1a5d h GLU 46 Ca -0.46 -0.10 -0.60 0.00 -0.13 0.00 0.00 59.36 58.07 1a5d h GLU 46 Cb 1.14 0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.41 1a5d h GLU 46 CO 0.44 0.84 -0.70 -0.65 -0.73 0.00 0.00 179.01 178.22 1a5d s GLN 47 N -3.27 1.75 0.89 1.92 -0.21 0.47 -3.78 119.66 117.43 1a5d s GLN 47 Ca -0.02 -1.88 -0.11 0.00 0.02 0.00 0.00 55.36 53.38 1a5d s GLN 47 Cb 0.11 -1.64 0.13 0.00 1.00 0.00 0.00 33.01 32.62 1a5d s GLN 47 CO 0.80 0.17 1.16 -2.14 -2.12 0.00 0.00 175.29 173.16 1a5d s PRO 48 N -3.60 1.13 -1.47 2.91 0.02 -1.26 -3.19 135.00 129.53 1a5d s PRO 48 Ca 0.31 1.61 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1a5d s PRO 48 Cb 0.01 -1.73 0.06 0.00 0.02 0.00 0.00 34.50 32.86 1a5d s PRO 48 CO 0.15 -2.56 1.01 0.09 -0.33 0.00 0.00 177.00 175.36 1a5d n ASN 49 N -4.04 -4.79 -3.67 2.53 4.13 0.49 -3.06 115.26 106.85 1a5d n ASN 49 Ca 0.12 -0.73 -0.23 0.00 1.68 0.00 0.00 54.58 55.42 1a5d n ASN 49 Cb 0.52 -4.16 0.06 0.00 -1.54 0.00 0.00 39.78 34.65 1a5d n ASN 49 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1a5d n PHE 50 N -4.71 -2.32 -4.69 3.10 3.72 -1.24 -5.02 117.46 106.29 1a5d n PHE 50 Ca 0.00 0.93 -0.31 0.00 -0.05 0.00 0.00 57.45 58.02 1a5d n PHE 50 Cb 0.55 -4.61 -0.08 0.00 -0.94 0.00 0.00 39.48 34.39 1a5d n PHE 50 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1a5d s THR 51 N -3.42 1.17 0.00 4.37 -4.23 -1.17 -5.02 115.64 107.34 1a5d s THR 51 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1a5d s THR 51 Cb -0.15 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1a5d s THR 51 CO 0.78 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.47 1a5d n GLY 52 N -1.14 -1.78 3.76 3.99 0.00 -1.26 -0.39 105.19 108.37 1a5d n GLY 52 Ca -0.14 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 1a5d n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5d s GLN 54 N -1.34 2.67 -0.03 0.00 -0.21 -1.26 -0.28 119.66 119.21 1a5d s GLN 54 Ca 0.52 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 55.22 1a5d s GLN 54 Cb -0.41 -2.59 0.03 0.00 1.00 0.00 0.00 33.01 31.04 1a5d s GLN 54 CO 0.50 0.61 0.01 0.71 -2.12 0.00 0.00 175.29 175.00 1a5d s TYR 55 N -1.08 0.26 -0.13 0.91 2.02 0.19 -4.17 117.35 115.35 1a5d s TYR 55 Ca 0.19 0.03 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1a5d s TYR 55 Cb -0.11 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1a5d s TYR 55 CO 0.10 -0.13 0.57 0.12 -1.57 0.00 0.00 175.55 174.64 1a5d s PHE 56 N 1.09 3.49 -0.04 2.71 5.36 -1.26 0.54 117.98 129.87 1a5d s PHE 56 Ca -0.09 0.98 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 1a5d s PHE 56 Cb -0.13 -2.68 0.01 0.00 -0.34 0.00 0.00 43.02 39.88 1a5d s PHE 56 CO -0.02 0.05 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.21 1a5d s LEU 57 N 1.02 1.60 0.53 6.12 1.02 1.00 -4.98 118.68 124.98 1a5d s LEU 57 Ca 0.29 -0.16 0.01 0.00 0.02 0.00 0.00 54.13 54.29 1a5d s LEU 57 Cb -0.16 -0.51 0.01 0.00 0.02 0.00 0.00 46.19 45.55 1a5d s LEU 57 CO 0.12 0.01 0.08 0.00 0.02 0.00 0.00 176.35 176.58 1a5d s ARG 58 N 0.52 2.23 -0.02 1.70 1.70 -1.26 0.37 118.95 124.19 1a5d s ARG 58 Ca -0.08 -2.37 -0.37 0.00 -0.47 0.00 0.00 55.73 52.44 1a5d s ARG 58 Cb -0.11 -1.62 -0.15 0.00 -0.57 0.00 0.00 34.95 32.49 1a5d s ARG 58 CO 0.01 -0.45 1.56 -2.13 -1.08 0.00 0.00 175.30 173.20 1a5d n ARG 59 N -1.40 1.47 -3.90 3.89 0.63 -1.22 -4.70 116.66 111.43 1a5d n ARG 59 Ca -0.18 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 1a5d n ARG 59 Cb 0.67 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1a5d n ARG 59 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1a5d n GLY 60 N 3.37 -1.89 3.31 5.14 0.00 -0.90 -4.55 105.19 109.67 1a5d n GLY 60 Ca 0.21 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1a5d n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5d s ASP 61 N -2.52 3.03 -0.34 1.61 1.11 -1.26 -0.57 116.67 117.72 1a5d s ASP 61 Ca 0.00 -0.50 -0.01 0.00 0.18 0.00 0.00 52.55 52.22 1a5d s ASP 61 Cb 0.00 -0.32 0.12 0.00 1.07 0.00 0.00 42.92 43.79 1a5d s ASP 61 CO 0.00 0.29 0.16 -0.31 1.18 0.00 0.00 175.17 176.49 1a5d s TYR 62 N -0.66 1.12 -0.40 4.23 1.51 0.03 -5.01 117.35 118.17 1a5d s TYR 62 Ca 0.10 -1.60 0.21 0.00 -1.01 0.00 0.00 57.07 54.78 1a5d s TYR 62 Cb -0.10 -1.32 1.01 0.00 -0.11 0.00 0.00 41.96 41.45 1a5d s TYR 62 CO -0.00 -0.84 1.65 -0.35 -1.11 0.00 0.00 175.55 174.91 1a5d n PRO 63 N 4.51 0.16 -3.77 -1.71 -0.04 -1.26 -1.70 135.00 131.18 1a5d n PRO 63 Ca 0.03 0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1a5d n PRO 63 Cb 0.39 -1.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.89 1a5d n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a5d s ASP 64 N -4.07 -0.11 0.49 3.54 1.01 -1.23 -0.50 116.67 115.81 1a5d s ASP 64 Ca 0.01 -0.17 0.33 0.00 0.71 0.00 0.00 52.55 53.44 1a5d s ASP 64 Cb 0.08 0.34 1.67 0.00 1.01 0.00 0.00 42.92 46.01 1a5d s ASP 64 CO 0.29 -0.57 2.01 0.10 0.21 0.00 0.00 175.17 177.21 1a5d h TYR 65 N 3.38 0.00 0.00 4.23 -0.00 -1.77 -1.16 116.97 121.65 1a5d h TYR 65 Ca -0.31 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.37 1a5d h TYR 65 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.92 1a5d h TYR 65 CO 0.47 0.00 -0.24 1.96 -0.00 0.00 0.00 178.16 180.35 1a5d h GLN 66 N 0.00 0.00 0.00 0.10 7.50 -1.90 -0.46 115.11 120.35 1a5d h GLN 66 Ca 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 1a5d h GLN 66 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.70 1a5d h GLN 66 CO 0.00 0.24 -0.02 1.96 -1.50 0.00 0.00 178.83 179.51 1a5d h GLN 67 N 0.00 0.00 -0.31 1.46 1.08 -1.59 -0.99 115.11 114.76 1a5d h GLN 67 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1a5d h GLN 67 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1a5d h GLN 67 CO 0.03 0.02 0.00 -2.67 -0.95 0.00 0.00 178.83 175.27 1a5d n TRP 68 N -3.38 0.73 -3.39 2.96 2.14 -0.98 -4.96 117.44 110.56 1a5d n TRP 68 Ca -0.02 -0.69 -0.19 0.00 2.07 0.00 0.00 57.50 58.66 1a5d n TRP 68 Cb 0.13 -0.18 0.07 0.00 -0.81 0.00 0.00 31.31 30.52 1a5d n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1a5d n MET 69 N 0.02 -6.50 -2.51 -2.67 2.81 -0.38 -4.77 117.12 103.12 1a5d n MET 69 Ca 0.17 0.68 -0.37 0.00 -1.81 0.00 0.00 57.70 56.36 1a5d n MET 69 Cb 0.67 -5.26 -0.04 0.00 -0.71 0.00 0.00 33.22 27.88 1a5d n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1a5d s GLY 70 N -3.28 2.82 0.17 3.03 0.00 -0.22 -4.92 107.32 104.92 1a5d s GLY 70 Ca 0.47 0.76 0.24 0.00 0.00 0.00 0.00 44.72 46.19 1a5d s GLY 70 CO 0.59 1.23 1.43 0.74 0.00 0.00 0.00 173.10 177.10 1a5d h PHE 71 N 2.80 0.00 -1.14 1.90 -1.00 -1.94 -3.43 116.94 114.14 1a5d h PHE 71 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 1a5d h PHE 71 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 1a5d h PHE 71 CO 0.58 0.00 0.00 -1.13 -1.61 0.00 0.00 178.31 176.15 1a5d n SER 72 N -2.25 0.00 -1.31 2.17 3.41 -1.26 -5.05 113.62 109.34 1a5d n SER 72 Ca 0.04 -0.41 -0.06 0.00 -0.26 0.00 0.00 58.87 58.18 1a5d n SER 72 Cb 0.45 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.60 1a5d n SER 72 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1a5d n ASP 73 N -0.30 2.75 -4.62 4.04 5.75 -1.26 -4.90 116.55 118.00 1a5d n ASP 73 Ca 0.00 -3.71 -0.38 0.00 -0.01 0.00 0.00 54.79 50.69 1a5d n ASP 73 Cb 0.00 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.33 1a5d n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1a5d s SER 74 N -2.32 6.13 -0.15 -1.12 0.01 -1.26 0.15 113.70 115.15 1a5d s SER 74 Ca 0.46 0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.82 1a5d s SER 74 Cb 0.41 -2.14 0.05 0.00 0.21 0.00 0.00 66.02 64.55 1a5d s SER 74 CO 0.02 -0.04 0.06 -0.69 0.41 0.00 0.00 173.24 173.00 1a5d s VAL 75 N 1.57 0.12 0.00 3.43 1.01 -1.26 -4.31 120.40 120.96 1a5d s VAL 75 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1a5d s VAL 75 Cb -0.15 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1a5d s VAL 75 CO 0.09 -0.13 0.19 0.54 0.00 0.00 0.00 175.10 175.78 1a5d n ARG 76 N 5.21 3.15 -3.64 2.72 1.74 0.36 -4.78 116.66 121.41 1a5d n ARG 76 Ca -0.07 -0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 56.72 1a5d n ARG 76 Cb 0.49 -0.65 -0.05 0.00 -1.02 0.00 0.00 32.46 31.23 1a5d n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1a5d s SER 77 N -0.50 -0.22 0.09 0.55 1.04 -1.17 0.94 113.70 114.43 1a5d s SER 77 Ca 0.00 -0.33 -0.20 0.00 0.48 0.00 0.00 55.95 55.90 1a5d s SER 77 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1a5d s SER 77 CO 0.00 -0.85 0.47 0.00 0.98 0.00 0.00 173.24 173.85 1a5d s ARG 79 N -3.08 0.59 -0.20 0.00 0.52 -0.66 -1.76 118.95 114.35 1a5d s ARG 79 Ca -0.02 -0.14 -0.21 0.00 -0.52 0.00 0.00 55.73 54.85 1a5d s ARG 79 Cb 0.00 -0.61 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 1a5d s ARG 79 CO -0.07 0.02 0.66 -1.17 0.02 0.00 0.00 175.30 174.75 1a5d s LEU 80 N 0.40 4.14 -0.01 2.53 0.20 -1.26 -1.78 118.68 122.90 1a5d s LEU 80 Ca -0.05 0.87 -0.22 0.00 0.69 0.00 0.00 54.13 55.42 1a5d s LEU 80 Cb -0.08 -2.93 -0.05 0.00 -0.43 0.00 0.00 46.19 42.69 1a5d s LEU 80 CO -0.00 -0.30 0.64 -0.63 -0.29 0.00 0.00 176.35 175.77 1a5d s ILE 81 N 1.99 4.92 1.05 6.68 -1.09 0.13 -4.97 121.20 129.92 1a5d s ILE 81 Ca 0.30 1.34 -0.12 0.00 -2.23 0.00 0.00 60.65 59.93 1a5d s ILE 81 Cb -0.16 -3.98 0.22 0.00 -1.58 0.00 0.00 42.46 36.96 1a5d s ILE 81 CO 0.10 0.37 1.07 -2.84 -1.23 0.00 0.00 174.94 172.41 1a5d s PRO 82 N 0.07 -0.04 -0.17 2.79 0.02 -1.26 -4.48 135.00 131.93 1a5d s PRO 82 Ca 0.33 0.80 -0.14 0.00 0.02 0.00 0.00 61.00 62.01 1a5d s PRO 82 Cb -0.18 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 1a5d s PRO 82 CO 0.18 -3.12 0.32 -1.58 -0.33 0.00 0.00 177.00 172.47 1a5d s HIS 83 N -2.70 3.43 -0.00 6.54 2.46 -1.26 -4.96 115.29 118.80 1a5d s HIS 83 Ca 0.67 0.60 -0.01 0.00 0.47 0.00 0.00 55.06 56.78 1a5d s HIS 83 Cb -0.22 -2.40 -0.04 0.00 -0.13 0.00 0.00 32.58 29.80 1a5d s HIS 83 CO 0.61 0.16 0.11 -1.12 -2.47 0.00 0.00 174.74 172.03 1a5d s SER 84 N 0.66 5.87 -0.01 9.88 0.01 -1.26 -4.98 113.70 123.88 1a5d s SER 84 Ca 0.17 0.20 0.22 0.00 1.31 0.00 0.00 55.95 57.85 1a5d s SER 84 Cb -0.14 -1.73 -0.28 0.00 0.21 0.00 0.00 66.02 64.08 1a5d s SER 84 CO 0.05 0.27 0.62 -1.54 0.41 0.00 0.00 173.24 173.05 1a5d n SER 85 N 1.11 0.26 -3.95 2.44 3.41 -1.26 -4.97 113.62 110.66 1a5d n SER 85 Ca -0.12 -0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.23 1a5d n SER 85 Cb 0.53 1.66 -0.09 0.00 -0.26 0.00 0.00 64.21 66.05 1a5d n SER 85 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1a5d s SER 87 N -4.26 0.25 -0.04 4.04 1.04 -1.26 -5.14 113.70 108.33 1a5d s SER 87 Ca -0.04 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1a5d s SER 87 Cb 0.14 0.26 0.03 0.00 0.10 0.00 0.00 66.02 66.55 1a5d s SER 87 CO 0.89 -0.62 0.00 -1.00 0.98 0.00 0.00 173.24 173.49 1a5d s HIS 88 N -3.45 0.38 -0.07 5.02 0.09 -1.26 -2.93 115.29 113.08 1a5d s HIS 88 Ca 0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 55.06 55.01 1a5d s HIS 88 Cb 0.04 -0.49 0.03 0.00 -0.00 0.00 0.00 32.58 32.16 1a5d s HIS 88 CO -0.09 -0.16 0.17 0.50 -0.00 0.00 0.00 174.74 175.16 1a5d s ARG 89 N 1.20 0.16 -0.08 1.40 3.52 0.70 -4.05 118.95 121.79 1a5d s ARG 89 Ca -0.07 0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 55.79 1a5d s ARG 89 Cb -0.13 -0.04 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 1a5d s ARG 89 CO -0.02 -0.10 0.21 -1.50 -0.81 0.00 0.00 175.30 173.09 1a5d s ILE 90 N 0.68 -0.01 -0.34 4.11 2.07 -0.39 -1.66 121.20 125.66 1a5d s ILE 90 Ca -0.05 0.03 -0.14 0.00 -1.41 0.00 0.00 60.65 59.08 1a5d s ILE 90 Cb -0.06 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1a5d s ILE 90 CO -0.03 0.01 0.31 -0.60 -1.91 0.00 0.00 174.94 172.71 1a5d s ARG 91 N 0.30 3.51 -0.24 3.50 6.06 0.66 -1.82 118.95 130.92 1a5d s ARG 91 Ca -0.02 -0.54 -0.12 0.00 -2.50 0.00 0.00 55.73 52.56 1a5d s ARG 91 Cb -0.03 -3.81 -0.05 0.00 0.06 0.00 0.00 34.95 31.12 1a5d s ARG 91 CO -0.01 -0.50 0.21 0.42 -2.50 0.00 0.00 175.30 172.92 1a5d s ILE 92 N 1.88 5.32 0.09 4.11 1.01 0.34 -1.21 121.20 132.75 1a5d s ILE 92 Ca 0.09 0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.10 1a5d s ILE 92 Cb -0.17 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1a5d s ILE 92 CO 0.11 0.30 -0.19 -0.31 0.00 0.00 0.00 174.94 174.85 1a5d s TYR 93 N 1.29 2.51 0.17 3.97 1.51 -0.13 -0.95 117.35 125.72 1a5d s TYR 93 Ca 0.09 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1a5d s TYR 93 Cb -0.14 -1.37 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 1a5d s TYR 93 CO 0.07 0.33 1.40 1.49 -1.11 0.00 0.00 175.55 177.73 1a5d h GLU 94 N 4.02 0.34 -6.05 -0.62 4.81 -1.43 -2.31 114.58 113.34 1a5d h GLU 94 Ca -0.49 -0.31 -0.59 0.00 -0.13 0.00 0.00 59.36 57.83 1a5d h GLU 94 Cb 1.16 0.08 -0.12 0.00 0.63 0.00 0.00 28.75 30.50 1a5d h GLU 94 CO 0.46 0.98 -0.65 1.03 -0.73 0.00 0.00 179.01 180.09 1a5d s ARG 95 N -3.46 1.99 0.92 1.92 0.52 -0.19 -3.17 118.95 117.47 1a5d s ARG 95 Ca -0.05 -1.76 -0.11 0.00 -0.52 0.00 0.00 55.73 53.29 1a5d s ARG 95 Cb 0.10 -1.88 0.14 0.00 0.52 0.00 0.00 34.95 33.83 1a5d s ARG 95 CO 0.84 0.19 1.09 -1.21 0.02 0.00 0.00 175.30 176.23 1a5d s GLU 96 N -3.66 1.05 -1.43 3.54 2.02 -1.26 -3.43 118.70 115.52 1a5d s GLU 96 Ca 0.33 0.97 -0.01 0.00 0.02 0.00 0.00 54.97 56.28 1a5d s GLU 96 Cb -0.01 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.46 1a5d s GLU 96 CO 0.18 -2.43 0.12 -0.25 0.02 0.00 0.00 175.26 172.90 1a5d n ASP 97 N -4.03 -4.99 -3.48 -0.19 9.92 -0.71 -2.76 116.55 110.31 1a5d n ASP 97 Ca 0.07 -0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.13 1a5d n ASP 97 Cb 0.54 -4.16 0.08 0.00 -0.64 0.00 0.00 41.12 36.95 1a5d n ASP 97 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1a5d n TYR 98 N -3.83 -2.55 -4.27 1.24 4.01 -1.24 -5.02 117.16 105.50 1a5d n TYR 98 Ca -0.17 0.97 -0.29 0.00 -0.16 0.00 0.00 57.90 58.25 1a5d n TYR 98 Cb 0.64 -5.01 -0.10 0.00 -0.31 0.00 0.00 39.34 34.56 1a5d n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a5d s ARG 99 N -5.89 2.00 0.66 -0.72 3.00 -1.11 -5.00 118.95 111.89 1a5d s ARG 99 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 55.73 54.91 1a5d s ARG 99 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 34.95 32.61 1a5d s ARG 99 CO 0.72 0.47 0.00 0.41 0.00 0.00 0.00 175.30 176.90 1a5d n GLY 100 N 0.50 -1.79 3.65 -3.53 0.00 -1.26 -1.02 105.19 101.73 1a5d n GLY 100 Ca -0.13 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1a5d n GLY 100 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a5d s GLN 101 N 0.00 4.05 0.10 1.61 0.74 -1.26 -4.73 119.66 120.17 1a5d s GLN 101 Ca 0.00 2.29 0.10 0.00 0.05 0.00 0.00 55.36 57.80 1a5d s GLN 101 Cb 0.00 -4.09 -0.04 0.00 1.10 0.00 0.00 33.01 29.99 1a5d s GLN 101 CO 0.00 -1.02 -0.24 0.00 -0.55 0.00 0.00 175.29 173.48 1a5d s MET 102 N 4.43 1.65 0.23 1.67 0.23 -1.26 -1.85 119.30 124.41 1a5d s MET 102 Ca 0.81 -1.22 0.04 0.00 -1.03 0.00 0.00 55.69 54.30 1a5d s MET 102 Cb -0.36 -2.00 -0.05 0.00 -1.53 0.00 0.00 34.83 30.89 1a5d s MET 102 CO 0.35 0.48 -0.03 0.14 -2.03 0.00 0.00 175.02 173.93 1a5d s VAL 103 N -1.01 1.19 -0.01 5.16 -7.23 -0.12 -4.98 120.40 113.39 1a5d s VAL 103 Ca 0.15 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 1a5d s VAL 103 Cb -0.10 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.52 1a5d s VAL 103 CO 0.06 -0.36 -0.03 -0.70 -0.31 0.00 0.00 175.10 173.76 1a5d s GLU 104 N -3.82 0.38 0.08 4.82 2.12 -1.26 -0.50 118.70 120.52 1a5d s GLU 104 Ca 0.28 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.49 1a5d s GLU 104 Cb 0.05 -0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 1a5d s GLU 104 CO 0.09 0.03 0.03 0.96 -0.54 0.00 0.00 175.26 175.82 1a5d s ILE 105 N 0.23 0.17 -0.02 -3.70 -4.36 -0.76 -4.99 121.20 107.78 1a5d s ILE 105 Ca -0.02 -1.76 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1a5d s ILE 105 Cb -0.05 -1.66 0.04 0.00 1.25 0.00 0.00 42.46 42.04 1a5d s ILE 105 CO -0.00 -0.79 0.83 0.35 0.24 0.00 0.00 174.94 175.57 1a5d n THR 106 N 0.03 0.45 -4.28 8.37 -2.24 -1.26 -1.26 114.28 114.09 1a5d n THR 106 Ca -0.11 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.01 1a5d n THR 106 Cb 0.62 0.58 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 1a5d n THR 106 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5d s ASP 107 N -0.90 1.73 0.64 3.42 2.15 -1.26 -4.70 116.67 117.75 1a5d s ASP 107 Ca 0.05 -1.11 -0.15 0.00 0.43 0.00 0.00 52.55 51.77 1a5d s ASP 107 Cb 0.04 0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 42.66 1a5d s ASP 107 CO 0.00 -0.43 1.08 -1.81 -0.17 0.00 0.00 175.17 173.84 1a5d s ASP 108 N -3.22 5.40 -0.30 -0.34 1.01 -1.26 -4.90 116.67 113.06 1a5d s ASP 108 Ca 0.22 1.86 -0.03 0.00 0.71 0.00 0.00 52.55 55.31 1a5d s ASP 108 Cb 0.04 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.54 1a5d s ASP 108 CO 0.04 -1.43 0.16 0.00 0.21 0.00 0.00 175.17 174.15 1a5d h PRO 110 N 8.23 0.00 -1.92 0.00 0.13 -1.90 -0.56 132.00 135.98 1a5d h PRO 110 Ca -0.16 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.53 1a5d h PRO 110 Cb 1.01 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.83 1a5d h PRO 110 CO 0.41 0.01 -0.79 -1.58 -0.23 0.00 0.00 178.00 175.82 1a5d s HIS 111 N -3.65 0.10 0.17 1.56 2.46 -1.26 0.45 115.29 115.12 1a5d s HIS 111 Ca 0.01 -1.58 -0.28 0.00 0.47 0.00 0.00 55.06 53.69 1a5d s HIS 111 Cb 0.09 -0.49 -0.00 0.00 -0.13 0.00 0.00 32.58 32.05 1a5d s HIS 111 CO 0.55 -0.98 1.55 -0.07 -2.47 0.00 0.00 174.74 173.32 1a5d h LEU 112 N 5.73 -1.91 -1.07 8.88 4.07 -1.66 -1.47 115.31 127.89 1a5d h LEU 112 Ca 0.17 0.31 0.06 0.00 0.08 0.00 0.00 57.88 58.49 1a5d h LEU 112 Cb 0.99 0.86 -0.06 0.00 1.08 0.00 0.00 40.66 43.53 1a5d h LEU 112 CO 0.24 -0.28 0.63 1.56 -1.08 0.00 0.00 178.44 179.51 1a5d h GLN 113 N -0.08 1.11 0.00 1.13 7.50 -1.91 0.18 115.11 123.04 1a5d h GLN 113 Ca 0.19 -0.07 -0.13 0.00 0.50 0.00 0.00 58.65 59.14 1a5d h GLN 113 Cb 0.49 -0.25 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 1a5d h GLN 113 CO -0.87 0.73 -0.62 -0.44 -1.50 0.00 0.00 178.83 176.13 1a5d h ASP 114 N 1.14 0.00 0.10 1.46 3.32 -1.73 0.13 116.42 120.84 1a5d h ASP 114 Ca 0.41 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.28 1a5d h ASP 114 Cb 0.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1a5d h ASP 114 CO -0.15 0.62 -0.83 -0.09 -1.72 0.00 0.00 179.24 177.07 1a5d h ARG 115 N 0.00 0.22 0.01 3.56 2.43 -0.79 -3.40 114.38 116.41 1a5d h ARG 115 Ca -0.01 -0.37 -0.34 0.00 -0.81 0.00 0.00 59.98 58.45 1a5d h ARG 115 Cb 1.41 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 31.04 1a5d h ARG 115 CO 0.08 1.18 -2.10 1.19 -1.51 0.00 0.00 179.97 178.81 1a5d n PHE 116 N -4.18 0.50 -0.95 2.20 3.72 0.01 -4.99 117.46 113.76 1a5d n PHE 116 Ca -0.17 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1a5d n PHE 116 Cb 0.77 -1.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 1a5d n PHE 116 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1a5d n HIS 117 N -2.97 0.00 -3.12 1.38 8.25 0.47 -4.90 115.22 114.32 1a5d n HIS 117 Ca -0.28 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.86 1a5d n HIS 117 Cb 1.09 -0.77 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 1a5d n HIS 117 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1a5d n PHE 118 N -2.45 3.32 0.00 4.41 -1.74 -1.26 -4.96 117.46 114.78 1a5d n PHE 118 Ca 0.00 -3.56 0.00 0.00 -0.56 0.00 0.00 57.45 53.33 1a5d n PHE 118 Cb 0.15 -0.78 0.00 0.00 1.52 0.00 0.00 39.48 40.37 1a5d n PHE 118 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 1a5d n SER 119 N 0.58 0.00 -4.60 5.98 7.64 -1.26 -4.36 113.62 117.59 1a5d n SER 119 Ca 0.31 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.80 1a5d n SER 119 Cb 0.37 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.48 1a5d n SER 119 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1a5d s ASP 120 N -3.78 6.25 -0.60 6.43 1.01 -1.26 -4.91 116.67 119.80 1a5d s ASP 120 Ca 0.00 0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.59 1a5d s ASP 120 Cb 0.00 -2.21 0.20 0.00 1.01 0.00 0.00 42.92 41.92 1a5d s ASP 120 CO 0.00 -0.19 0.54 0.49 0.21 0.00 0.00 175.17 176.21 1a5d n PHE 121 N 5.34 2.22 0.99 4.23 3.72 -1.26 -3.63 117.46 129.09 1a5d n PHE 121 Ca -0.08 -4.01 0.11 0.00 -0.05 0.00 0.00 57.45 53.41 1a5d n PHE 121 Cb 0.51 -0.42 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1a5d n PHE 121 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1a5d n HIS 122 N 1.77 0.00 -3.94 1.38 8.25 -0.92 -4.82 115.22 116.95 1a5d n HIS 122 Ca 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1a5d n HIS 122 Cb 0.41 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 1a5d n HIS 122 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1a5d s SER 123 N -3.02 0.18 0.02 0.41 0.15 -0.93 -4.38 113.70 106.14 1a5d s SER 123 Ca 0.09 -0.48 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 1a5d s SER 123 Cb 0.17 0.18 -0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1a5d s SER 123 CO 0.81 -0.42 0.13 -0.36 1.20 0.00 0.00 173.24 174.59 1a5d s PHE 124 N -2.08 0.09 -0.19 3.44 0.08 -0.32 -0.96 117.98 118.03 1a5d s PHE 124 Ca -0.10 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 1a5d s PHE 124 Cb -0.05 -0.07 0.07 0.00 -0.57 0.00 0.00 43.02 42.40 1a5d s PHE 124 CO -0.02 -0.32 0.08 -1.58 -0.10 0.00 0.00 175.22 173.28 1a5d s HIS 125 N -1.82 0.47 -0.44 0.36 5.65 -0.35 -1.09 115.29 118.07 1a5d s HIS 125 Ca -0.11 -0.56 -0.19 0.00 0.25 0.00 0.00 55.06 54.45 1a5d s HIS 125 Cb -0.05 -0.83 0.03 0.00 -1.18 0.00 0.00 32.58 30.54 1a5d s HIS 125 CO -0.01 -0.58 0.53 0.08 -0.65 0.00 0.00 174.74 174.11 1a5d s VAL 126 N 2.05 4.98 -0.09 0.89 1.01 -0.02 -0.24 120.40 128.97 1a5d s VAL 126 Ca 0.02 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1a5d s VAL 126 Cb -0.16 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 1a5d s VAL 126 CO -0.12 -0.56 0.48 0.23 0.00 0.00 0.00 175.10 175.13 1a5d n MET 127 N 5.89 0.66 -3.74 2.72 2.81 -0.66 -1.30 117.12 123.49 1a5d n MET 127 Ca -0.06 0.23 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1a5d n MET 127 Cb 0.47 -1.72 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 1a5d n MET 127 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1a5d s GLU 128 N -2.57 0.34 0.00 0.03 2.02 -0.84 -4.92 118.70 112.76 1a5d s GLU 128 Ca -0.09 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1a5d s GLU 128 Cb 0.07 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.38 1a5d s GLU 128 CO 0.81 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1a5d n GLY 129 N 3.43 -0.57 3.48 -1.39 0.00 -1.15 -0.21 105.19 108.78 1a5d n GLY 129 Ca -0.17 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 1a5d n GLY 129 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1a5d s TYR 130 N -1.89 2.72 0.10 1.61 1.51 -1.26 -3.59 117.35 116.55 1a5d s TYR 130 Ca 0.00 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.89 1a5d s TYR 130 Cb 0.00 -1.65 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1a5d s TYR 130 CO 0.00 0.17 -0.05 -1.58 -1.11 0.00 0.00 175.55 172.98 1a5d s TRP 131 N -0.66 0.87 -0.16 2.71 0.52 0.28 -1.86 118.94 120.63 1a5d s TRP 131 Ca 0.10 -0.97 0.02 0.00 0.02 0.00 0.00 56.10 55.27 1a5d s TRP 131 Cb -0.11 -0.51 0.01 0.00 -1.15 0.00 0.00 33.47 31.71 1a5d s TRP 131 CO 0.01 -0.21 -0.20 0.08 0.02 0.00 0.00 176.95 176.64 1a5d s VAL 132 N -3.70 2.10 -0.13 4.03 1.01 -0.42 0.39 120.40 123.68 1a5d s VAL 132 Ca 0.13 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1a5d s VAL 132 Cb 0.06 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1a5d s VAL 132 CO -0.04 0.54 0.32 -0.22 0.00 0.00 0.00 175.10 175.70 1a5d s LEU 133 N 1.08 4.29 0.04 3.92 2.96 0.15 -1.72 118.68 129.41 1a5d s LEU 133 Ca -0.00 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1a5d s LEU 133 Cb -0.14 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 1a5d s LEU 133 CO -0.08 0.14 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.74 1a5d s TYR 134 N 0.14 2.92 0.21 5.38 1.51 -0.18 -0.30 117.35 127.04 1a5d s TYR 134 Ca 0.19 -0.04 -0.05 0.00 -1.01 0.00 0.00 57.07 56.16 1a5d s TYR 134 Cb -0.14 -1.57 0.18 0.00 -0.11 0.00 0.00 41.96 40.33 1a5d s TYR 134 CO 0.06 0.43 1.67 1.49 -1.11 0.00 0.00 175.55 178.08 1a5d h GLU 135 N 4.04 0.89 -6.33 -0.62 4.81 -0.89 0.18 114.58 116.66 1a5d h GLU 135 Ca -0.48 -0.30 -0.62 0.00 -0.13 0.00 0.00 59.36 57.83 1a5d h GLU 135 Cb 1.17 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 1a5d h GLU 135 CO 0.56 0.94 -0.76 -1.64 -0.73 0.00 0.00 179.01 177.38 1a5d s MET 136 N -4.85 1.77 1.18 1.92 -1.94 -0.34 -1.38 119.30 115.66 1a5d s MET 136 Ca -0.10 -1.61 -0.14 0.00 -1.71 0.00 0.00 55.69 52.13 1a5d s MET 136 Cb 0.14 -1.88 0.29 0.00 2.01 0.00 0.00 34.83 35.38 1a5d s MET 136 CO 0.84 0.36 1.03 -1.25 -0.01 0.00 0.00 175.02 175.99 1a5d s PRO 137 N -3.26 -1.03 -1.61 2.03 0.04 -1.25 -2.84 135.00 127.08 1a5d s PRO 137 Ca 0.27 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1a5d s PRO 137 Cb -0.06 -1.55 0.00 0.00 0.04 0.00 0.00 34.50 32.92 1a5d s PRO 137 CO 0.14 -3.75 0.00 0.09 0.04 0.00 0.00 177.00 173.52 1a5d n ASN 138 N -4.91 -5.00 -2.97 6.66 3.02 0.17 -3.24 115.26 108.98 1a5d n ASN 138 Ca 0.04 0.37 -0.13 0.00 -0.03 0.00 0.00 54.58 54.83 1a5d n ASN 138 Cb 0.55 -3.84 0.06 0.00 -0.61 0.00 0.00 39.78 35.95 1a5d n ASN 138 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1a5d n TYR 139 N -2.50 -1.99 -4.41 3.10 4.01 -1.22 -5.05 117.16 109.09 1a5d n TYR 139 Ca -0.15 0.73 -0.20 0.00 -0.16 0.00 0.00 57.90 58.12 1a5d n TYR 139 Cb 0.53 -4.05 -0.10 0.00 -0.31 0.00 0.00 39.34 35.41 1a5d n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1a5d s ARG 140 N -4.42 1.51 3.38 -0.72 1.81 -1.13 -5.02 118.95 114.36 1a5d s ARG 140 Ca 0.28 -1.76 0.00 0.00 -1.72 0.00 0.00 55.73 52.53 1a5d s ARG 140 Cb -0.04 -1.08 0.00 0.00 -0.45 0.00 0.00 34.95 33.38 1a5d s ARG 140 CO 0.61 0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.67 1a5d n GLY 141 N -0.55 -0.09 3.77 -3.53 0.00 -1.26 -1.20 105.19 102.33 1a5d n GLY 141 Ca -0.06 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 1a5d n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5d s ARG 142 N 0.00 3.83 0.02 1.61 0.52 -1.26 -4.76 118.95 118.91 1a5d s ARG 142 Ca 0.00 2.25 0.09 0.00 -0.52 0.00 0.00 55.73 57.55 1a5d s ARG 142 Cb 0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1a5d s ARG 142 CO 0.00 -0.64 -0.25 -0.65 0.02 0.00 0.00 175.30 173.77 1a5d s GLN 143 N -2.35 1.85 -0.03 3.54 -0.21 -1.26 -0.66 119.66 120.54 1a5d s GLN 143 Ca 0.59 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 1a5d s GLN 143 Cb -0.40 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 31.71 1a5d s GLN 143 CO 0.51 0.51 0.04 0.71 -2.12 0.00 0.00 175.29 174.94 1a5d s TYR 144 N -0.73 0.05 0.10 0.91 2.02 0.59 -4.11 117.35 116.18 1a5d s TYR 144 Ca 0.11 0.17 -0.30 0.00 -0.37 0.00 0.00 57.07 56.68 1a5d s TYR 144 Cb -0.10 -0.33 -0.06 0.00 -0.40 0.00 0.00 41.96 41.08 1a5d s TYR 144 CO 0.01 -0.13 1.09 -1.17 -1.57 0.00 0.00 175.55 173.78 1a5d s LEU 145 N 1.46 4.43 -0.27 -1.29 1.98 -1.26 0.34 118.68 124.06 1a5d s LEU 145 Ca -0.04 1.95 0.01 0.00 -2.89 0.00 0.00 54.13 53.16 1a5d s LEU 145 Cb -0.13 -3.59 0.06 0.00 0.66 0.00 0.00 46.19 43.19 1a5d s LEU 145 CO -0.03 -0.28 -0.07 -0.76 -1.89 0.00 0.00 176.35 173.32 1a5d s LEU 146 N 0.37 3.62 0.39 -0.68 1.43 0.16 -4.92 118.68 119.04 1a5d s LEU 146 Ca 0.52 -1.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1a5d s LEU 146 Cb -0.27 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1a5d s LEU 146 CO 0.31 -0.22 0.54 -0.13 0.23 0.00 0.00 176.35 177.09 1a5d s ARG 147 N 1.16 2.98 -0.04 1.70 0.52 -1.26 -0.56 118.95 123.44 1a5d s ARG 147 Ca -0.08 -1.03 -0.35 0.00 -0.52 0.00 0.00 55.73 53.75 1a5d s ARG 147 Cb -0.20 -2.76 -0.13 0.00 0.52 0.00 0.00 34.95 32.39 1a5d s ARG 147 CO -0.04 -0.13 1.77 -2.30 0.02 0.00 0.00 175.30 174.63 1a5d n PRO 148 N -1.79 2.03 -3.90 3.54 -0.02 -1.24 -4.71 135.00 128.92 1a5d n PRO 148 Ca 0.03 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1a5d n PRO 148 Cb 0.58 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1a5d n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a5d n GLY 149 N 4.07 -0.77 3.37 -1.23 0.00 -0.42 -4.99 105.19 105.23 1a5d n GLY 149 Ca 0.21 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1a5d n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a5d s GLU 150 N -2.00 2.64 -0.39 1.61 2.02 -1.26 -0.84 118.70 120.48 1a5d s GLU 150 Ca 0.00 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.22 1a5d s GLU 150 Cb 0.00 -2.32 0.12 0.00 0.10 0.00 0.00 34.13 32.03 1a5d s GLU 150 CO 0.00 0.46 0.16 0.71 0.02 0.00 0.00 175.26 176.61 1a5d s TYR 151 N -0.33 2.31 0.24 1.61 2.02 -0.25 -4.99 117.35 117.96 1a5d s TYR 151 Ca 0.02 -2.36 -0.02 0.00 -0.37 0.00 0.00 57.07 54.34 1a5d s TYR 151 Cb -0.13 -2.10 0.27 0.00 -0.40 0.00 0.00 41.96 39.61 1a5d s TYR 151 CO 0.02 -0.84 1.68 0.00 -1.57 0.00 0.00 175.55 174.84 1a5d h ARG 152 N 7.32 0.69 -3.65 -0.62 -0.00 -1.91 -0.84 114.38 115.37 1a5d h ARG 152 Ca -0.06 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.98 59.07 1a5d h ARG 152 Cb 0.97 -0.04 -0.08 0.00 0.00 0.00 0.00 29.97 30.82 1a5d h ARG 152 CO 0.50 0.84 -0.08 -0.98 0.00 0.00 0.00 179.97 180.26 1a5d s ARG 153 N -4.63 1.70 0.42 0.04 1.70 -1.26 -1.73 118.95 115.18 1a5d s ARG 153 Ca -0.09 -1.35 0.20 0.00 -0.47 0.00 0.00 55.73 54.02 1a5d s ARG 153 Cb 0.13 0.49 1.15 0.00 -0.57 0.00 0.00 34.95 36.15 1a5d s ARG 153 CO 0.82 -0.72 1.79 0.10 -1.08 0.00 0.00 175.30 176.21 1a5d h TYR 154 N 2.19 0.56 -0.92 5.89 -0.00 -1.86 -0.32 116.97 122.51 1a5d h TYR 154 Ca -0.27 0.02 0.10 0.00 -0.00 0.00 0.00 58.73 58.58 1a5d h TYR 154 Cb 1.25 -0.16 -0.08 0.00 -0.00 0.00 0.00 36.73 37.74 1a5d h TYR 154 CO 0.70 0.07 0.56 0.45 -0.00 0.00 0.00 178.16 179.94 1a5d h HIS 155 N 0.36 1.01 -0.65 0.10 3.86 -1.90 -2.13 115.15 115.80 1a5d h HIS 155 Ca 0.56 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.89 1a5d h HIS 155 Cb 1.50 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 29.61 1a5d h HIS 155 CO -0.00 0.43 0.43 -0.44 0.86 0.00 0.00 177.93 179.21 1a5d h ASP 156 N 0.93 0.50 -0.62 2.45 3.32 -1.39 -0.14 116.42 121.47 1a5d h ASP 156 Ca 0.44 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1a5d h ASP 156 Cb 0.37 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1a5d h ASP 156 CO -0.24 0.31 0.00 -2.67 -1.72 0.00 0.00 179.24 174.92 1a5d n TRP 157 N -4.48 1.03 -2.38 4.55 2.14 -0.83 -4.96 117.44 112.52 1a5d n TRP 157 Ca 0.10 -0.47 -0.03 0.00 2.07 0.00 0.00 57.50 59.17 1a5d n TRP 157 Cb 0.31 -0.08 0.01 0.00 -0.81 0.00 0.00 31.31 30.73 1a5d n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1a5d n GLY 158 N 1.36 0.52 3.67 -1.67 0.00 -0.06 -4.72 105.19 104.29 1a5d n GLY 158 Ca 0.22 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1a5d n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5d s ALA 159 N -2.63 3.47 -0.65 4.61 0.00 -1.05 -5.00 121.76 120.50 1a5d s ALA 159 Ca 0.04 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1a5d s ALA 159 Cb -0.02 0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.22 1a5d s ALA 159 CO 0.05 -0.10 0.64 -0.12 0.00 0.00 0.00 175.76 176.23 1a5d n MET 160 N -1.08 0.23 -4.48 0.00 1.56 -1.26 -4.13 117.12 107.96 1a5d n MET 160 Ca -0.08 -0.76 -0.24 0.00 -0.27 0.00 0.00 57.70 56.35 1a5d n MET 160 Cb 0.67 -1.08 -0.09 0.00 2.15 0.00 0.00 33.22 34.87 1a5d n MET 160 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1a5d s ASN 161 N -0.54 2.55 -0.20 6.12 0.01 -1.26 -5.04 114.94 116.58 1a5d s ASN 161 Ca 0.06 -1.55 0.16 0.00 -0.71 0.00 0.00 52.86 50.81 1a5d s ASN 161 Cb 0.05 0.28 0.59 0.00 0.41 0.00 0.00 41.25 42.57 1a5d s ASN 161 CO 0.08 -0.81 1.49 0.00 -1.51 0.00 0.00 177.10 176.36 1a5d n ALA 162 N -0.81 3.28 -2.53 0.60 0.00 -1.26 -4.77 120.51 115.02 1a5d n ALA 162 Ca -0.05 -2.31 -0.43 0.00 0.00 0.00 0.00 53.44 50.66 1a5d n ALA 162 Cb 0.66 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 1a5d n ALA 162 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1a5d s ARG 163 N -2.86 4.25 -0.02 0.00 3.52 -1.26 -4.86 118.95 117.72 1a5d s ARG 163 Ca 0.45 1.53 -0.04 0.00 -0.13 0.00 0.00 55.73 57.54 1a5d s ARG 163 Cb 0.36 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 1a5d s ARG 163 CO 0.10 -0.65 0.10 0.14 -0.81 0.00 0.00 175.30 174.18 1a5d s VAL 164 N 3.27 0.04 0.00 7.11 -7.23 -1.23 -4.51 120.40 117.84 1a5d s VAL 164 Ca 0.50 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1a5d s VAL 164 Cb -0.19 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.50 1a5d s VAL 164 CO 0.12 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1a5d n GLY 165 N 2.43 0.00 3.38 2.32 0.00 0.63 -4.83 105.19 109.12 1a5d n GLY 165 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1a5d n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a5d s SER 166 N -1.28 -0.44 -0.03 1.61 1.04 -1.16 -2.34 113.70 111.09 1a5d s SER 166 Ca 0.00 -0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.42 1a5d s SER 166 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1a5d s SER 166 CO 0.00 -0.87 -0.12 -0.76 0.98 0.00 0.00 173.24 172.48 1a5d s LEU 167 N -2.55 1.81 -0.02 2.42 1.43 -0.22 -1.01 118.68 120.55 1a5d s LEU 167 Ca -0.00 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1a5d s LEU 167 Cb 0.00 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.53 1a5d s LEU 167 CO -0.09 0.09 -0.03 -0.60 0.23 0.00 0.00 176.35 175.95 1a5d s ARG 168 N 0.19 0.43 0.22 1.70 3.52 -0.70 -1.27 118.95 123.04 1a5d s ARG 168 Ca -0.04 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.19 1a5d s ARG 168 Cb -0.10 -0.48 -0.09 0.00 -1.56 0.00 0.00 34.95 32.72 1a5d s ARG 168 CO 0.01 -0.02 1.14 1.03 -0.81 0.00 0.00 175.30 176.66 1a5d s ARG 169 N 0.47 4.56 -0.34 5.12 0.52 -1.26 -1.30 118.95 126.73 1a5d s ARG 169 Ca -0.05 1.82 -0.28 0.00 -0.52 0.00 0.00 55.73 56.70 1a5d s ARG 169 Cb -0.08 -3.23 0.02 0.00 0.52 0.00 0.00 34.95 32.18 1a5d s ARG 169 CO -0.01 0.05 1.01 0.42 0.02 0.00 0.00 175.30 176.80 1a5d s ILE 170 N -0.51 4.53 -0.03 1.52 1.01 -0.78 -4.89 121.20 122.06 1a5d s ILE 170 Ca 0.49 1.51 -0.06 0.00 0.00 0.00 0.00 60.65 62.59 1a5d s ILE 170 Cb -0.32 -4.38 0.01 0.00 0.01 0.00 0.00 42.46 37.78 1a5d s ILE 170 CO 0.38 -0.51 0.14 -0.04 0.00 0.00 0.00 174.94 174.91 1a5d s MET 171 N 3.60 0.33 0.39 2.79 -1.94 -1.26 -4.76 119.30 118.44 1a5d s MET 171 Ca 0.42 -0.11 -0.12 0.00 -1.71 0.00 0.00 55.69 54.17 1a5d s MET 171 Cb -0.12 0.14 -0.07 0.00 2.01 0.00 0.00 34.83 36.79 1a5d s MET 171 CO 0.17 -0.07 0.77 0.34 -0.01 0.00 0.00 175.02 176.22 1a5d s ASP 172 N -0.67 6.60 0.03 3.03 2.15 -1.26 -4.99 116.67 121.56 1a5d s ASP 172 Ca -0.08 1.20 -0.28 0.00 0.43 0.00 0.00 52.55 53.82 1a5d s ASP 172 Cb -0.05 -2.35 0.10 0.00 -0.30 0.00 0.00 42.92 40.33 1a5d s ASP 172 CO 0.01 -0.35 1.20 0.72 -0.17 0.00 0.00 175.17 176.58 1a5d s PHE 173 N -2.27 -0.04 0.00 -5.34 -0.12 -1.26 -5.04 117.98 103.91 1a5d s PHE 173 Ca 0.52 -0.13 0.00 0.00 -0.05 0.00 0.00 56.93 57.27 1a5d s PHE 173 Cb -0.10 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 1a5d s PHE 173 CO 0.27 -0.44 0.00 0.98 -0.05 0.00 0.00 175.22 175.99