#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 0.21 -0.03 1.61 2.20 -0.34 -4.31 119.74 119.08 1a5d s LYS 2 Ca 0.00 0.11 -0.09 0.00 -0.36 0.00 0.00 55.97 55.63 1a5d s LYS 2 Cb 0.00 0.10 0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1a5d s LYS 2 CO 0.00 -0.03 0.20 -1.50 -0.36 0.00 0.00 175.35 173.66 1a5d s ILE 3 N -0.13 0.05 -0.06 5.43 2.07 -0.04 -1.47 121.20 127.04 1a5d s ILE 3 Ca -0.02 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 1a5d s ILE 3 Cb -0.02 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.16 1a5d s ILE 3 CO 0.00 -0.22 -0.09 -0.89 -1.91 0.00 0.00 174.94 171.83 1a5d s THR 4 N -0.85 0.91 -0.12 4.00 2.01 -0.41 0.41 115.64 121.58 1a5d s THR 4 Ca -0.09 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1a5d s THR 4 Cb -0.05 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1a5d s THR 4 CO 0.02 0.31 0.05 -0.36 -0.69 0.00 0.00 174.62 173.95 1a5d s PHE 5 N 0.87 3.30 0.01 4.92 0.40 -0.76 -1.46 117.98 125.26 1a5d s PHE 5 Ca -0.11 0.26 0.06 0.00 -0.60 0.00 0.00 56.93 56.54 1a5d s PHE 5 Cb -0.15 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1a5d s PHE 5 CO 0.01 0.47 -0.19 0.71 0.70 0.00 0.00 175.22 176.93 1a5d s TYR 6 N -0.64 2.55 0.31 0.36 1.51 -0.31 -1.50 117.35 119.63 1a5d s TYR 6 Ca 0.11 -0.26 0.11 0.00 -1.01 0.00 0.00 57.07 56.01 1a5d s TYR 6 Cb -0.12 -1.51 0.51 0.00 -0.11 0.00 0.00 41.96 40.73 1a5d s TYR 6 CO 0.02 0.19 1.71 0.93 -1.11 0.00 0.00 175.55 177.29 1a5d h GLU 7 N 4.90 0.04 -6.29 -0.62 5.08 -0.66 -1.10 114.58 115.92 1a5d h GLU 7 Ca -0.47 -0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.28 1a5d h GLU 7 Cb 1.15 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 1a5d h GLU 7 CO 0.48 0.52 -0.63 -0.51 -1.00 0.00 0.00 179.01 177.87 1a5d s ASP 8 N -6.89 4.93 0.89 1.42 1.01 -0.32 -3.44 116.67 114.28 1a5d s ASP 8 Ca -0.02 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.77 1a5d s ASP 8 Cb 0.13 -1.10 0.13 0.00 1.01 0.00 0.00 42.92 43.09 1a5d s ASP 8 CO 0.75 0.07 1.10 0.00 0.21 0.00 0.00 175.17 177.31 1a5d s ARG 9 N -3.07 1.25 -1.32 8.23 1.70 -1.26 -3.20 118.95 121.28 1a5d s ARG 9 Ca 0.29 1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 56.72 1a5d s ARG 9 Cb -0.09 -1.78 0.00 0.00 -0.57 0.00 0.00 34.95 32.51 1a5d s ARG 9 CO 0.20 -2.35 0.18 0.41 -1.08 0.00 0.00 175.30 172.66 1a5d n GLY 10 N -0.48 -0.28 3.54 3.88 0.00 -0.01 -3.42 105.19 108.41 1a5d n GLY 10 Ca 0.09 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.10 -2.10 -4.25 1.61 3.72 -1.24 -5.02 117.46 106.08 1a5d n PHE 11 Ca -0.15 0.72 -0.15 0.00 -0.05 0.00 0.00 57.45 57.82 1a5d n PHE 11 Cb 0.63 -4.04 -0.10 0.00 -0.94 0.00 0.00 39.48 35.03 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 -5.44 1.06 1.10 -1.08 -1.52 -1.19 -5.05 119.66 107.54 1a5d s GLN 12 Ca 0.30 -1.40 0.00 0.00 -1.95 0.00 0.00 55.36 52.31 1a5d s GLN 12 Cb -0.07 -0.70 0.00 0.00 -0.22 0.00 0.00 33.01 32.02 1a5d s GLN 12 CO 0.80 0.10 0.00 0.41 -0.25 0.00 0.00 175.29 176.35 1a5d n GLY 13 N -0.03 -1.79 3.76 3.09 0.00 -1.26 -1.17 105.19 107.79 1a5d n GLY 13 Ca -0.11 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 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 3.46 0.23 1.61 3.52 -1.26 -4.71 118.95 121.79 1a5d s ARG 14 Ca 0.00 2.12 -0.07 0.00 -0.13 0.00 0.00 55.73 57.65 1a5d s ARG 14 Cb 0.00 -2.39 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 1a5d s ARG 14 CO 0.00 -0.90 0.31 -3.38 -0.81 0.00 0.00 175.30 170.52 1a5d s HIS 15 N -1.35 0.79 -0.14 5.12 -3.43 -1.26 -0.22 115.29 114.80 1a5d s HIS 15 Ca 0.67 -1.07 -0.06 0.00 -0.80 0.00 0.00 55.06 53.79 1a5d s HIS 15 Cb -0.37 -0.19 0.06 0.00 -1.43 0.00 0.00 32.58 30.65 1a5d s HIS 15 CO 0.45 -0.83 0.31 -0.47 -2.00 0.00 0.00 174.74 172.20 1a5d s TYR 16 N -4.04 -0.47 -0.09 0.38 5.04 -0.56 -4.96 117.35 112.65 1a5d s TYR 16 Ca 0.31 1.04 -0.17 0.00 -2.44 0.00 0.00 57.07 55.81 1a5d s TYR 16 Cb 0.03 0.10 -0.05 0.00 0.35 0.00 0.00 41.96 42.40 1a5d s TYR 16 CO 0.11 -0.32 0.44 -2.00 -1.34 0.00 0.00 175.55 172.44 1a5d s GLU 17 N 1.79 4.23 0.00 4.97 2.12 -1.26 -1.83 118.70 128.72 1a5d s GLU 17 Ca -0.05 0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1a5d s GLU 17 Cb -0.11 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 1a5d s GLU 17 CO -0.10 0.31 -0.07 0.00 -0.54 0.00 0.00 175.26 174.86 1a5d n SER 19 N 2.77 0.60 -3.53 0.00 7.64 -1.26 -0.86 113.62 118.98 1a5d n SER 19 Ca -0.14 -0.87 -0.17 0.00 1.01 0.00 0.00 58.87 58.70 1a5d n SER 19 Cb 0.57 0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 63.86 1a5d n SER 19 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a5d s THR 20 N -0.17 0.00 0.57 0.44 -4.23 -1.26 -4.53 115.64 106.46 1a5d s THR 20 Ca 0.00 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.38 1a5d s THR 20 Cb 0.00 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1a5d s THR 20 CO 0.00 0.00 1.23 -1.81 -0.54 0.00 0.00 174.62 173.50 1a5d s ASP 21 N -3.30 5.29 -0.13 3.99 1.11 -1.26 -4.75 116.67 117.62 1a5d s ASP 21 Ca 0.39 2.45 -0.04 0.00 0.18 0.00 0.00 52.55 55.53 1a5d s ASP 21 Cb 0.03 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.48 1a5d s ASP 21 CO 0.23 -1.53 0.23 -1.00 1.18 0.00 0.00 175.17 174.28 1a5d s HIS 22 N -1.53 -0.35 -0.65 4.23 3.76 -0.49 -4.98 115.29 115.28 1a5d s HIS 22 Ca 0.75 0.80 0.26 0.00 -0.15 0.00 0.00 55.06 56.71 1a5d s HIS 22 Cb -0.32 -0.13 0.84 0.00 1.11 0.00 0.00 32.58 34.08 1a5d s HIS 22 CO 0.36 -0.36 1.76 0.66 -0.85 0.00 0.00 174.74 176.31 1a5d h SER 23 N 8.31 0.00 -1.25 1.40 4.64 -1.88 -0.42 113.55 124.34 1a5d h SER 23 Ca -0.14 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1a5d h SER 23 Cb 1.12 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.97 1a5d h SER 23 CO 0.15 0.00 -0.34 0.21 -0.87 0.00 0.00 176.83 175.99 1a5d s ASN 24 N -4.56 -0.93 0.00 4.97 2.47 -1.25 0.51 114.94 116.15 1a5d s ASN 24 Ca 0.09 0.66 0.24 0.00 0.42 0.00 0.00 52.86 54.27 1a5d s ASN 24 Cb 0.11 1.86 0.23 0.00 -1.45 0.00 0.00 41.25 42.01 1a5d s ASN 24 CO 0.55 -0.27 1.27 0.18 -3.72 0.00 0.00 177.10 175.11 1a5d n LEU 25 N 5.41 2.68 -0.16 3.21 4.77 0.43 -4.56 117.00 128.78 1a5d n LEU 25 Ca -0.01 -0.91 0.19 0.00 -0.03 0.00 0.00 56.01 55.25 1a5d n LEU 25 Cb 0.51 -0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.17 1a5d n LEU 25 CO 0.03 0.45 1.22 1.56 -1.33 0.00 0.00 177.39 179.33 1a5d h GLN 26 N 4.08 0.27 0.00 3.23 4.20 -1.76 -2.18 115.11 122.95 1a5d h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1a5d h GLN 26 Cb 0.91 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1a5d h GLN 26 CO 0.00 0.18 0.00 -1.35 -0.67 0.00 0.00 178.83 176.99 1a5d h PRO 27 N 0.27 0.00 -0.00 1.46 0.11 -1.98 -3.24 132.00 128.62 1a5d h PRO 27 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1a5d h PRO 27 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1a5d h PRO 27 CO -0.10 0.00 -0.32 0.66 -0.21 0.00 0.00 178.00 178.03 1a5d n TYR 28 N -2.73 0.00 -3.65 0.65 4.01 -0.82 -5.04 117.16 109.59 1a5d n TYR 28 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.70 1a5d n TYR 28 Cb 0.11 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.60 -0.03 -1.50 -0.72 -0.12 -1.22 -4.66 117.98 108.13 1a5d s PHE 29 Ca 0.06 0.07 0.22 0.00 -0.05 0.00 0.00 56.93 57.23 1a5d s PHE 29 Cb 0.07 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1a5d s PHE 29 CO 0.31 -0.02 1.07 -1.13 -0.05 0.00 0.00 175.22 175.40 1a5d n SER 30 N 1.03 1.41 -3.45 1.98 3.41 -1.26 -4.36 113.62 112.38 1a5d n SER 30 Ca -0.05 -1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 57.27 1a5d n SER 30 Cb 0.58 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 1a5d n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5d s ARG 31 N -2.74 1.20 -0.13 4.33 1.70 -1.26 -4.96 118.95 117.09 1a5d s ARG 31 Ca 0.14 -0.30 -0.02 0.00 -0.47 0.00 0.00 55.73 55.08 1a5d s ARG 31 Cb 0.17 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 35.15 1a5d s ARG 31 CO 0.70 -0.49 0.02 0.00 -1.08 0.00 0.00 175.30 174.45 1a5d n ASN 33 N 5.10 0.91 -3.50 0.00 3.02 -0.42 -4.46 115.26 115.91 1a5d n ASN 33 Ca -0.08 -0.96 -0.16 0.00 -0.03 0.00 0.00 54.58 53.36 1a5d n ASN 33 Cb 0.49 0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 40.05 1a5d n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1a5d s SER 34 N -0.91 -0.61 0.03 6.41 1.04 -1.19 -2.68 113.70 115.80 1a5d s SER 34 Ca 0.04 0.51 -0.11 0.00 0.48 0.00 0.00 55.95 56.88 1a5d s SER 34 Cb 0.04 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.70 1a5d s SER 34 CO 0.13 -0.67 0.22 0.68 0.98 0.00 0.00 173.24 174.58 1a5d s VAL 35 N -1.81 0.09 -0.19 5.02 -7.23 -0.48 -1.16 120.40 114.65 1a5d s VAL 35 Ca -0.07 -0.78 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1a5d s VAL 35 Cb -0.00 -0.83 0.04 0.00 0.56 0.00 0.00 36.38 36.15 1a5d s VAL 35 CO 0.04 -0.43 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.19 1a5d s ARG 36 N -2.30 1.73 -0.48 4.82 0.52 -0.54 -0.27 118.95 122.43 1a5d s ARG 36 Ca -0.07 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.25 1a5d s ARG 36 Cb -0.02 -2.28 0.07 0.00 0.52 0.00 0.00 34.95 33.24 1a5d s ARG 36 CO -0.02 -0.45 0.44 0.08 0.02 0.00 0.00 175.30 175.37 1a5d s VAL 37 N 1.49 5.17 -0.02 3.52 1.01 -0.40 -1.29 120.40 129.88 1a5d s VAL 37 Ca -0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1a5d s VAL 37 Cb -0.16 -4.17 -0.21 0.00 0.00 0.00 0.00 36.38 31.85 1a5d s VAL 37 CO -0.08 -0.63 1.15 -0.78 0.00 0.00 0.00 175.10 174.76 1a5d h ASP 38 N 8.81 0.23 -5.05 3.32 3.58 -1.54 -2.65 116.42 123.12 1a5d h ASP 38 Ca -0.28 -0.65 -0.08 0.00 0.42 0.00 0.00 57.03 56.43 1a5d h ASP 38 Cb 1.11 -0.07 -0.17 0.00 1.72 0.00 0.00 39.33 41.93 1a5d h ASP 38 CO 0.90 0.84 -0.17 -0.94 -2.88 0.00 0.00 179.24 176.99 1a5d s SER 39 N -6.16 -0.21 0.00 2.28 1.04 -1.02 -4.90 113.70 104.73 1a5d s SER 39 Ca -0.15 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1a5d s SER 39 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1a5d s SER 39 CO 0.73 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1a5d n GLY 40 N 0.51 1.26 3.23 7.32 0.00 -1.26 -1.19 105.19 115.06 1a5d n GLY 40 Ca -0.18 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 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 1.32 1.99 -0.29 0.00 0.52 0.54 -0.31 118.94 122.72 1a5d s TRP 42 Ca 0.04 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.74 1a5d s TRP 42 Cb -0.14 -1.14 0.04 0.00 -1.15 0.00 0.00 33.47 31.08 1a5d s TRP 42 CO -0.07 0.18 -0.00 1.41 0.02 0.00 0.00 176.95 178.49 1a5d s MET 43 N -1.57 2.67 0.15 4.98 1.75 -0.54 0.39 119.30 127.13 1a5d s MET 43 Ca 0.09 -1.11 -0.15 0.00 -1.25 0.00 0.00 55.69 53.27 1a5d s MET 43 Cb -0.10 -3.16 -0.07 0.00 2.84 0.00 0.00 34.83 34.34 1a5d s MET 43 CO 0.03 -0.53 0.56 -0.51 -0.65 0.00 0.00 175.02 173.93 1a5d s LEU 44 N 1.32 4.35 -0.03 4.11 1.43 0.44 -1.83 118.68 128.48 1a5d s LEU 44 Ca -0.02 1.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.24 1a5d s LEU 44 Cb -0.18 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 1a5d s LEU 44 CO -0.01 0.11 -0.19 -0.31 0.23 0.00 0.00 176.35 176.18 1a5d s TYR 45 N -1.44 1.76 0.27 0.29 1.51 -0.37 -0.76 117.35 118.61 1a5d s TYR 45 Ca 0.37 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1a5d s TYR 45 Cb -0.15 -1.16 0.38 0.00 -0.11 0.00 0.00 41.96 40.92 1a5d s TYR 45 CO 0.19 -0.11 1.80 1.49 -1.11 0.00 0.00 175.55 177.82 1a5d h GLU 46 N 5.97 0.79 -5.88 -0.62 4.81 -0.61 0.29 114.58 119.33 1a5d h GLU 46 Ca -0.35 -0.18 -0.59 0.00 -0.13 0.00 0.00 59.36 58.10 1a5d h GLU 46 Cb 1.16 -0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.32 1a5d h GLU 46 CO 0.48 0.76 -0.58 -0.65 -0.73 0.00 0.00 179.01 178.28 1a5d s GLN 47 N -5.10 2.07 0.90 1.92 -0.21 -0.26 -3.54 119.66 115.43 1a5d s GLN 47 Ca -0.09 -1.89 -0.11 0.00 0.02 0.00 0.00 55.36 53.29 1a5d s GLN 47 Cb 0.15 -1.85 0.13 0.00 1.00 0.00 0.00 33.01 32.44 1a5d s GLN 47 CO 0.80 0.01 1.10 -2.14 -2.12 0.00 0.00 175.29 172.94 1a5d s PRO 48 N -3.76 1.22 -1.45 2.91 0.02 -1.26 -3.54 135.00 129.13 1a5d s PRO 48 Ca 0.37 1.12 -0.05 0.00 0.02 0.00 0.00 61.00 62.46 1a5d s PRO 48 Cb 0.04 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.80 1a5d s PRO 48 CO 0.20 -2.36 0.45 0.09 -0.33 0.00 0.00 177.00 175.05 1a5d n ASN 49 N -4.00 -5.19 -3.32 2.53 4.13 0.18 -3.38 115.26 106.22 1a5d n ASN 49 Ca 0.08 -0.24 -0.16 0.00 1.68 0.00 0.00 54.58 55.95 1a5d n ASN 49 Cb 0.54 -4.25 0.08 0.00 -1.54 0.00 0.00 39.78 34.61 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 -4.18 -2.17 -4.43 3.10 3.72 -1.25 -5.05 117.46 107.20 1a5d n PHE 50 Ca -0.10 0.89 -0.22 0.00 -0.05 0.00 0.00 57.45 57.97 1a5d n PHE 50 Cb 0.60 -4.80 -0.09 0.00 -0.94 0.00 0.00 39.48 34.26 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 -3.35 0.55 0.00 4.37 -4.23 -1.22 -5.05 115.64 106.71 1a5d s THR 51 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1a5d s THR 51 Cb -0.01 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1a5d s THR 51 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1a5d n GLY 52 N -0.75 -0.86 3.77 3.99 0.00 -1.26 -1.10 105.19 108.98 1a5d n GLY 52 Ca -0.02 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.67 2.00 -0.03 0.00 -0.21 -1.26 -0.20 119.66 117.29 1a5d s GLN 54 Ca 0.63 -1.01 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 1a5d s GLN 54 Cb -0.28 -2.12 0.03 0.00 1.00 0.00 0.00 33.01 31.65 1a5d s GLN 54 CO 0.34 0.54 0.02 0.71 -2.12 0.00 0.00 175.29 174.78 1a5d s TYR 55 N -0.85 0.18 -0.12 0.91 2.02 0.06 -4.04 117.35 115.51 1a5d s TYR 55 Ca 0.13 0.09 -0.20 0.00 -0.37 0.00 0.00 57.07 56.72 1a5d s TYR 55 Cb -0.10 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 1a5d s TYR 55 CO 0.03 -0.14 0.57 0.12 -1.57 0.00 0.00 175.55 174.57 1a5d s PHE 56 N 1.32 3.50 -0.09 2.71 5.36 -1.26 -0.42 117.98 129.11 1a5d s PHE 56 Ca -0.06 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.94 1a5d s PHE 56 Cb -0.13 -2.68 0.00 0.00 -0.34 0.00 0.00 43.02 39.88 1a5d s PHE 56 CO -0.03 0.07 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.09 1a5d s LEU 57 N 0.96 1.93 0.32 6.12 2.01 0.16 -4.98 118.68 125.20 1a5d s LEU 57 Ca 0.30 -0.46 0.09 0.00 0.01 0.00 0.00 54.13 54.06 1a5d s LEU 57 Cb -0.16 -1.20 -0.05 0.00 0.01 0.00 0.00 46.19 44.79 1a5d s LEU 57 CO 0.13 0.12 0.06 -0.13 1.01 0.00 0.00 176.35 177.53 1a5d s ARG 58 N 0.43 2.23 0.24 1.70 0.52 -1.26 -0.34 118.95 122.48 1a5d s ARG 58 Ca -0.17 -1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 53.13 1a5d s ARG 58 Cb -0.17 -2.07 -0.12 0.00 0.52 0.00 0.00 34.95 33.10 1a5d s ARG 58 CO 0.07 0.17 1.57 2.89 0.02 0.00 0.00 175.30 180.02 1a5d n ARG 59 N -1.02 2.46 0.00 3.54 1.85 -1.23 -4.72 116.66 117.54 1a5d n ARG 59 Ca -0.04 0.88 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 1a5d n ARG 59 Cb 0.61 -2.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.38 1a5d n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a5d n GLY 60 N 2.71 -0.71 3.64 2.89 0.00 -1.00 -4.85 105.19 107.87 1a5d n GLY 60 Ca 0.12 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 5.56 -0.42 1.61 1.01 -1.26 -1.28 116.67 121.89 1a5d s ASP 61 Ca 0.00 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.39 1a5d s ASP 61 Cb 0.00 -1.91 0.12 0.00 1.01 0.00 0.00 42.92 42.14 1a5d s ASP 61 CO 0.00 0.21 0.16 -0.31 0.21 0.00 0.00 175.17 175.44 1a5d s TYR 62 N 0.15 3.28 0.46 4.23 1.51 0.62 -4.99 117.35 122.61 1a5d s TYR 62 Ca 0.04 -2.97 0.11 0.00 -1.01 0.00 0.00 57.07 53.24 1a5d s TYR 62 Cb -0.12 -2.74 1.05 0.00 -0.11 0.00 0.00 41.96 40.03 1a5d s TYR 62 CO 0.01 -0.84 2.09 -1.35 -1.11 0.00 0.00 175.55 174.35 1a5d h PRO 63 N 7.09 0.30 -4.43 -1.71 0.11 -1.86 -1.28 132.00 130.22 1a5d h PRO 63 Ca -0.06 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.77 1a5d h PRO 63 Cb 0.96 -0.07 -0.22 0.00 0.11 0.00 0.00 31.00 31.78 1a5d h PRO 63 CO 0.59 0.20 -0.73 -0.51 -0.21 0.00 0.00 178.00 177.34 1a5d s ASP 64 N -6.83 0.72 0.56 -2.05 1.11 -1.23 -0.83 116.67 108.12 1a5d s ASP 64 Ca -0.07 -0.49 0.25 0.00 0.18 0.00 0.00 52.55 52.42 1a5d s ASP 64 Cb 0.17 0.04 1.54 0.00 1.07 0.00 0.00 42.92 45.74 1a5d s ASP 64 CO 0.71 -0.19 2.13 0.10 1.18 0.00 0.00 175.17 179.09 1a5d h TYR 65 N 4.68 0.00 0.00 4.23 -0.00 -1.80 0.55 116.97 124.63 1a5d h TYR 65 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.37 1a5d h TYR 65 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.93 1a5d h TYR 65 CO 0.63 0.00 -0.09 1.96 -0.00 0.00 0.00 178.16 180.66 1a5d h GLN 66 N 0.00 0.00 0.00 0.10 7.50 -1.91 -1.40 115.11 119.40 1a5d h GLN 66 Ca 0.07 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.22 1a5d h GLN 66 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1a5d h GLN 66 CO -0.00 0.09 0.00 1.96 -1.50 0.00 0.00 178.83 179.38 1a5d h GLN 67 N 0.00 0.00 -0.21 1.46 1.08 -1.27 -1.60 115.11 114.58 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 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1a5d h GLN 67 CO 0.01 0.00 0.00 -2.67 -0.95 0.00 0.00 178.83 175.22 1a5d n TRP 68 N -2.92 0.62 -2.37 2.96 2.14 -0.63 -4.97 117.44 112.27 1a5d n TRP 68 Ca 0.00 -0.81 -0.19 0.00 2.07 0.00 0.00 57.50 58.57 1a5d n TRP 68 Cb 0.24 -0.22 -0.01 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 -0.50 -1.57 -2.16 -2.67 2.81 -0.60 -4.69 117.12 107.74 1a5d n MET 69 Ca 0.17 0.91 -0.36 0.00 -1.81 0.00 0.00 57.70 56.61 1a5d n MET 69 Cb 0.72 -5.47 0.01 0.00 -0.71 0.00 0.00 33.22 27.77 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 -2.16 2.73 0.01 3.03 0.00 -0.62 -4.92 107.32 105.39 1a5d s GLY 70 Ca 0.01 0.95 0.26 0.00 0.00 0.00 0.00 44.72 45.94 1a5d s GLY 70 CO 0.01 1.36 1.58 0.69 0.00 0.00 0.00 173.10 176.74 1a5d n PHE 71 N -1.04 0.06 -3.61 1.90 3.01 -1.26 -4.61 117.46 111.91 1a5d n PHE 71 Ca 0.10 0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1a5d n PHE 71 Cb 0.49 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1a5d n PHE 71 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1a5d n SER 72 N -1.56 0.00 -1.94 4.37 3.41 -1.26 -5.02 113.62 111.62 1a5d n SER 72 Ca 0.06 -0.97 -0.09 0.00 -0.26 0.00 0.00 58.87 57.61 1a5d n SER 72 Cb 0.35 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.35 4.37 -4.63 4.04 5.68 -1.26 -4.90 116.55 119.50 1a5d n ASP 73 Ca 0.00 -3.16 -0.40 0.00 -0.50 0.00 0.00 54.79 50.73 1a5d n ASP 73 Cb 0.00 -0.74 -0.07 0.00 -1.14 0.00 0.00 41.12 39.17 1a5d n ASP 73 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1a5d s SER 74 N -0.88 6.50 -0.21 -1.12 0.01 -1.26 0.10 113.70 116.84 1a5d s SER 74 Ca 0.50 0.61 -0.04 0.00 1.31 0.00 0.00 55.95 58.33 1a5d s SER 74 Cb 0.40 -2.30 0.09 0.00 0.21 0.00 0.00 66.02 64.43 1a5d s SER 74 CO 0.12 -0.27 0.21 -0.69 0.41 0.00 0.00 173.24 173.02 1a5d s VAL 75 N 2.14 -0.30 0.00 3.43 1.01 -1.26 -4.30 120.40 121.12 1a5d s VAL 75 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1a5d s VAL 75 Cb -0.16 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1a5d s VAL 75 CO 0.09 -0.25 0.28 0.54 0.00 0.00 0.00 175.10 175.76 1a5d n ARG 76 N 5.31 2.04 -3.67 2.72 1.74 0.10 -4.83 116.66 120.07 1a5d n ARG 76 Ca -0.05 -0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 56.64 1a5d n ARG 76 Cb 0.49 -0.77 -0.03 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.37 -0.32 -0.05 0.55 1.04 -1.08 -0.43 113.70 113.04 1a5d s SER 77 Ca 0.00 -0.37 -0.27 0.00 0.48 0.00 0.00 55.95 55.79 1a5d s SER 77 Cb 0.00 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.76 1a5d s SER 77 CO 0.00 -1.03 0.60 0.00 0.98 0.00 0.00 173.24 173.79 1a5d s ARG 79 N -1.19 1.96 -0.36 0.00 0.52 -0.76 -1.40 118.95 117.72 1a5d s ARG 79 Ca -0.11 -0.54 -0.23 0.00 -0.52 0.00 0.00 55.73 54.33 1a5d s ARG 79 Cb -0.01 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 33.87 1a5d s ARG 79 CO 0.09 0.10 0.76 -1.17 0.02 0.00 0.00 175.30 175.10 1a5d s LEU 80 N 0.47 4.15 -0.02 2.53 2.96 -1.26 -1.46 118.68 126.04 1a5d s LEU 80 Ca -0.13 0.33 -0.26 0.00 -0.22 0.00 0.00 54.13 53.85 1a5d s LEU 80 Cb -0.15 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1a5d s LEU 80 CO 0.04 -0.72 0.79 -0.63 -1.32 0.00 0.00 176.35 174.52 1a5d s ILE 81 N 3.05 4.92 0.57 6.68 1.01 0.58 -4.97 121.20 133.04 1a5d s ILE 81 Ca 0.30 1.65 -0.19 0.00 0.00 0.00 0.00 60.65 62.42 1a5d s ILE 81 Cb -0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1a5d s ILE 81 CO 0.17 0.26 1.16 -2.84 0.00 0.00 0.00 174.94 173.68 1a5d s PRO 82 N 0.64 3.15 0.20 2.79 0.02 -1.26 -4.40 135.00 136.13 1a5d s PRO 82 Ca 0.42 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1a5d s PRO 82 Cb -0.19 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.28 1a5d s PRO 82 CO 0.22 -1.03 1.13 -1.58 -0.33 0.00 0.00 177.00 175.41 1a5d s HIS 83 N -1.77 3.53 -0.06 6.54 5.65 -1.26 -4.88 115.29 123.04 1a5d s HIS 83 Ca 0.74 1.56 0.06 0.00 0.25 0.00 0.00 55.06 57.66 1a5d s HIS 83 Cb -0.26 -3.33 -0.01 0.00 -1.18 0.00 0.00 32.58 27.80 1a5d s HIS 83 CO 0.31 -0.81 -0.24 -1.54 -0.65 0.00 0.00 174.74 171.81 1a5d s SER 84 N -0.15 2.96 0.30 9.88 1.04 -1.26 -5.03 113.70 121.43 1a5d s SER 84 Ca 0.50 -0.50 0.24 0.00 0.48 0.00 0.00 55.95 56.67 1a5d s SER 84 Cb -0.31 -0.89 0.43 0.00 0.10 0.00 0.00 66.02 65.36 1a5d s SER 84 CO 0.37 0.22 1.54 0.28 0.98 0.00 0.00 173.24 176.63 1a5d h SER 85 N 6.17 0.00 -5.19 7.02 0.02 -1.97 -3.47 113.55 116.13 1a5d h SER 85 Ca -0.30 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.53 1a5d h SER 85 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 1a5d h SER 85 CO 0.47 0.01 -0.29 -0.94 -1.14 0.00 0.00 176.83 174.95 1a5d s SER 87 N -5.32 0.02 -0.05 3.07 1.04 -1.26 -5.15 113.70 106.04 1a5d s SER 87 Ca 0.07 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1a5d s SER 87 Cb 0.09 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.66 1a5d s SER 87 CO 0.67 -0.83 0.11 -1.00 0.98 0.00 0.00 173.24 173.17 1a5d s HIS 88 N -3.90 -0.11 -0.13 5.02 0.09 -1.26 -3.44 115.29 111.56 1a5d s HIS 88 Ca 0.10 0.38 -0.07 0.00 -0.00 0.00 0.00 55.06 55.47 1a5d s HIS 88 Cb 0.03 -0.13 0.05 0.00 -0.00 0.00 0.00 32.58 32.53 1a5d s HIS 88 CO -0.06 -0.15 0.31 0.50 -0.00 0.00 0.00 174.74 175.34 1a5d s ARG 89 N 1.16 0.29 0.01 1.40 3.52 -0.39 -4.18 118.95 120.74 1a5d s ARG 89 Ca -0.09 0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 56.10 1a5d s ARG 89 Cb -0.12 -0.05 -0.01 0.00 -1.56 0.00 0.00 34.95 33.21 1a5d s ARG 89 CO -0.05 -0.14 -0.00 -1.50 -0.81 0.00 0.00 175.30 172.79 1a5d s ILE 90 N 1.15 0.05 -0.16 4.11 2.07 -0.42 -0.80 121.20 127.21 1a5d s ILE 90 Ca -0.08 -0.45 -0.03 0.00 -1.41 0.00 0.00 60.65 58.68 1a5d s ILE 90 Cb -0.09 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 1a5d s ILE 90 CO -0.09 -0.25 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.52 1a5d s ARG 91 N -0.72 3.58 -0.22 3.50 0.52 -0.29 -1.11 118.95 124.20 1a5d s ARG 91 Ca -0.08 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1a5d s ARG 91 Cb -0.05 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.51 1a5d s ARG 91 CO -0.00 0.16 -0.01 0.42 0.02 0.00 0.00 175.30 175.89 1a5d s ILE 92 N 0.56 3.72 0.14 1.52 1.01 -0.21 -1.41 121.20 126.52 1a5d s ILE 92 Ca -0.04 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.27 1a5d s ILE 92 Cb -0.15 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 1a5d s ILE 92 CO 0.03 0.41 0.17 -0.31 0.00 0.00 0.00 174.94 175.24 1a5d s TYR 93 N 1.32 3.27 0.00 3.97 1.51 -0.73 -2.00 117.35 124.69 1a5d s TYR 93 Ca 0.04 0.05 -0.19 0.00 -1.01 0.00 0.00 57.07 55.96 1a5d s TYR 93 Cb -0.15 -1.59 -0.29 0.00 -0.11 0.00 0.00 41.96 39.83 1a5d s TYR 93 CO -0.00 0.52 1.02 1.49 -1.11 0.00 0.00 175.55 177.47 1a5d h GLU 94 N 2.54 0.45 -6.20 -0.62 4.81 -1.03 -2.35 114.58 112.18 1a5d h GLU 94 Ca -0.47 -0.63 -0.50 0.00 -0.13 0.00 0.00 59.36 57.63 1a5d h GLU 94 Cb 1.19 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 1a5d h GLU 94 CO 0.66 1.27 -0.44 1.03 -0.73 0.00 0.00 179.01 180.80 1a5d s ARG 95 N -2.82 2.70 1.03 1.92 0.52 -0.82 -3.26 118.95 118.22 1a5d s ARG 95 Ca -0.12 -1.33 -0.14 0.00 -0.52 0.00 0.00 55.73 53.62 1a5d s ARG 95 Cb 0.03 -2.46 0.21 0.00 0.52 0.00 0.00 34.95 33.25 1a5d s ARG 95 CO 0.87 0.05 1.11 -1.21 0.02 0.00 0.00 175.30 176.14 1a5d s GLU 96 N -4.01 0.13 -1.55 3.54 2.02 -1.26 -3.54 118.70 114.03 1a5d s GLU 96 Ca 0.42 0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1a5d s GLU 96 Cb -0.05 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.46 1a5d s GLU 96 CO 0.27 -2.89 0.00 -0.25 0.02 0.00 0.00 175.26 172.41 1a5d n ASP 97 N -4.25 -4.39 0.00 -0.19 8.00 -0.47 -2.16 116.55 113.10 1a5d n ASP 97 Ca 0.07 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1a5d n ASP 97 Cb 0.58 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 1a5d n ASP 97 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1a5d n TYR 98 N -2.68 0.00 -1.34 1.24 4.01 -1.23 -5.01 117.16 112.15 1a5d n TYR 98 Ca -0.17 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.28 1a5d n TYR 98 Cb 0.57 -0.77 0.14 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.65 1.21 1.39 -0.72 1.81 -0.92 -4.86 118.95 116.21 1a5d s ARG 99 Ca 0.00 0.60 0.00 0.00 -1.72 0.00 0.00 55.73 54.61 1a5d s ARG 99 Cb 0.00 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.68 1a5d s ARG 99 CO 0.00 -2.22 0.00 0.41 -0.68 0.00 0.00 175.30 172.81 1a5d n GLY 100 N -1.54 -1.78 3.74 -3.53 0.00 -1.26 -1.95 105.19 98.87 1a5d n GLY 100 Ca 0.06 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1a5d n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5d s GLN 101 N 0.00 1.76 -0.04 1.61 -0.21 -1.26 -4.74 119.66 116.78 1a5d s GLN 101 Ca 0.00 1.05 -0.23 0.00 0.02 0.00 0.00 55.36 56.20 1a5d s GLN 101 Cb 0.00 -1.85 0.05 0.00 1.00 0.00 0.00 33.01 32.21 1a5d s GLN 101 CO 0.00 -1.95 0.51 1.41 -2.12 0.00 0.00 175.29 173.14 1a5d s MET 102 N -4.90 0.87 0.14 2.91 -2.45 -1.26 -0.76 119.30 113.85 1a5d s MET 102 Ca 0.62 0.07 0.04 0.00 -1.25 0.00 0.00 55.69 55.18 1a5d s MET 102 Cb -0.18 0.40 -0.04 0.00 1.25 0.00 0.00 34.83 36.26 1a5d s MET 102 CO 0.57 -0.26 -0.10 0.14 1.05 0.00 0.00 175.02 176.41 1a5d s VAL 103 N -1.21 1.15 -0.03 10.11 -7.23 -0.85 -4.99 120.40 117.36 1a5d s VAL 103 Ca -0.12 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.12 1a5d s VAL 103 Cb -0.02 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 1a5d s VAL 103 CO 0.07 -0.69 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.31 1a5d s GLU 104 N -3.52 1.58 0.01 4.82 2.12 -1.26 -1.04 118.70 121.42 1a5d s GLU 104 Ca 0.14 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1a5d s GLU 104 Cb 0.01 -1.43 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 1a5d s GLU 104 CO 0.01 0.27 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.46 1a5d s ILE 105 N -0.08 0.27 0.00 -3.70 2.07 -0.27 -4.98 121.20 114.51 1a5d s ILE 105 Ca -0.01 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.69 1a5d s ILE 105 Cb -0.10 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.19 1a5d s ILE 105 CO 0.01 -0.18 0.80 0.35 -1.91 0.00 0.00 174.94 174.00 1a5d n THR 106 N 2.29 0.63 -4.61 4.00 -2.24 -1.26 -1.30 114.28 111.79 1a5d n THR 106 Ca -0.18 -0.68 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 1a5d n THR 106 Cb 0.57 0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.63 3.34 0.28 3.42 -1.08 -1.26 -4.70 116.67 116.04 1a5d s ASP 107 Ca 0.00 -1.68 -0.21 0.00 -0.52 0.00 0.00 52.55 50.14 1a5d s ASP 107 Cb 0.00 0.52 -0.09 0.00 -1.46 0.00 0.00 42.92 41.89 1a5d s ASP 107 CO 0.00 -0.91 0.81 -1.81 0.52 0.00 0.00 175.17 173.78 1a5d s ASP 108 N -3.72 7.11 -0.34 -0.34 1.01 -1.26 -4.84 116.67 114.30 1a5d s ASP 108 Ca 0.16 1.56 0.02 0.00 0.71 0.00 0.00 52.55 55.00 1a5d s ASP 108 Cb 0.02 -2.47 0.10 0.00 1.01 0.00 0.00 42.92 41.58 1a5d s ASP 108 CO 0.10 -0.05 0.09 0.00 0.21 0.00 0.00 175.17 175.52 1a5d h PRO 110 N 7.71 0.00 -1.67 0.00 0.11 -1.89 0.43 132.00 136.70 1a5d h PRO 110 Ca -0.08 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 1a5d h PRO 110 Cb 1.01 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.84 1a5d h PRO 110 CO 0.50 0.00 -0.50 -1.58 -0.21 0.00 0.00 178.00 176.21 1a5d s HIS 111 N -3.92 -1.05 -0.05 0.65 2.46 -1.25 0.21 115.29 112.34 1a5d s HIS 111 Ca -0.02 0.54 -0.23 0.00 0.47 0.00 0.00 55.06 55.82 1a5d s HIS 111 Cb 0.11 -0.06 -0.17 0.00 -0.13 0.00 0.00 32.58 32.33 1a5d s HIS 111 CO 0.43 -0.93 0.95 -0.07 -2.47 0.00 0.00 174.74 172.65 1a5d h LEU 112 N 8.15 -0.14 0.00 8.88 3.38 -1.38 -3.22 115.31 130.97 1a5d h LEU 112 Ca -0.11 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1a5d h LEU 112 Cb 1.13 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1a5d h LEU 112 CO 0.26 0.42 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1a5d n GLN 113 N -4.90 0.07 -0.06 1.13 -0.00 -1.26 -2.63 117.38 109.73 1a5d n GLN 113 Ca -0.08 0.23 -0.18 0.00 -0.00 0.00 0.00 57.00 56.97 1a5d n GLN 113 Cb 0.28 -1.50 -0.13 0.00 -0.00 0.00 0.00 30.24 28.88 1a5d n GLN 113 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1a5d n ASP 114 N -1.42 1.73 0.05 2.61 8.00 -1.25 -4.60 116.55 121.66 1a5d n ASP 114 Ca 0.04 0.06 -0.07 0.00 0.71 0.00 0.00 54.79 55.53 1a5d n ASP 114 Cb 0.14 -0.40 0.10 0.00 -0.02 0.00 0.00 41.12 40.93 1a5d n ASP 114 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1a5d h ARG 115 N 0.03 0.40 -6.55 -1.24 2.43 -1.51 -3.47 114.38 104.47 1a5d h ARG 115 Ca -0.49 -0.25 -0.45 0.00 -0.81 0.00 0.00 59.98 57.98 1a5d h ARG 115 Cb 2.00 0.03 0.03 0.00 -0.42 0.00 0.00 29.97 31.61 1a5d h ARG 115 CO 0.01 0.85 -0.18 -0.06 -1.51 0.00 0.00 179.97 179.08 1a5d s PHE 116 N -3.90 2.19 -2.00 2.20 0.08 -1.17 -4.99 117.98 110.38 1a5d s PHE 116 Ca -0.06 -0.53 0.16 0.00 0.12 0.00 0.00 56.93 56.63 1a5d s PHE 116 Cb 0.12 -2.32 0.98 0.00 -0.57 0.00 0.00 43.02 41.22 1a5d s PHE 116 CO 0.82 -0.76 1.55 -2.39 -0.10 0.00 0.00 175.22 174.33 1a5d n HIS 117 N -2.04 0.00 -3.75 0.36 1.44 -1.26 -4.77 115.22 105.20 1a5d n HIS 117 Ca 0.11 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.71 1a5d n HIS 117 Cb 0.60 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.64 1a5d n HIS 117 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1a5d s PHE 118 N -2.00 -0.10 -0.08 -1.40 -0.71 -1.26 -5.11 117.98 107.32 1a5d s PHE 118 Ca 0.25 -0.06 0.11 0.00 -1.04 0.00 0.00 56.93 56.19 1a5d s PHE 118 Cb 0.11 0.10 0.17 0.00 -1.21 0.00 0.00 43.02 42.20 1a5d s PHE 118 CO 0.19 -0.52 1.07 -1.13 -1.34 0.00 0.00 175.22 173.48 1a5d n SER 119 N 0.47 1.86 -4.40 1.98 3.41 -1.26 -4.79 113.62 110.89 1a5d n SER 119 Ca -0.18 -2.60 -0.34 0.00 -0.26 0.00 0.00 58.87 55.49 1a5d n SER 119 Cb 0.60 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 1a5d n SER 119 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a5d s ASP 120 N -2.07 4.48 -0.24 4.04 1.01 -1.26 -4.82 116.67 117.81 1a5d s ASP 120 Ca 0.19 -0.27 -0.00 0.00 0.71 0.00 0.00 52.55 53.18 1a5d s ASP 120 Cb 0.17 -1.74 0.07 0.00 1.01 0.00 0.00 42.92 42.42 1a5d s ASP 120 CO 0.02 0.09 -0.00 -0.36 0.21 0.00 0.00 175.17 175.12 1a5d s PHE 121 N 0.84 1.94 -0.03 4.23 0.08 -1.26 -4.14 117.98 119.65 1a5d s PHE 121 Ca -0.01 -1.53 0.00 0.00 0.12 0.00 0.00 56.93 55.51 1a5d s PHE 121 Cb -0.15 -1.48 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 1a5d s PHE 121 CO 0.01 -0.74 0.25 0.72 -0.10 0.00 0.00 175.22 175.36 1a5d n HIS 122 N 4.79 0.00 -3.72 0.36 8.25 -0.89 -4.89 115.22 119.12 1a5d n HIS 122 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1a5d n HIS 122 Cb 0.45 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.48 1a5d n HIS 122 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1a5d s SER 123 N -0.56 -0.24 0.05 0.41 1.04 -1.24 -4.09 113.70 109.07 1a5d s SER 123 Ca 0.00 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1a5d s SER 123 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1a5d s SER 123 CO 0.01 -0.55 -0.09 -0.36 0.98 0.00 0.00 173.24 173.23 1a5d s PHE 124 N -1.86 0.79 -0.33 5.02 0.08 0.32 -1.78 117.98 120.23 1a5d s PHE 124 Ca -0.09 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.45 1a5d s PHE 124 Cb -0.03 -0.46 0.11 0.00 -0.57 0.00 0.00 43.02 42.07 1a5d s PHE 124 CO 0.02 -0.06 0.12 -1.58 -0.10 0.00 0.00 175.22 173.62 1a5d s HIS 125 N -1.42 1.62 -0.48 0.36 5.65 -0.50 -0.69 115.29 119.83 1a5d s HIS 125 Ca -0.08 -1.76 -0.29 0.00 0.25 0.00 0.00 55.06 53.18 1a5d s HIS 125 Cb -0.10 -1.66 0.03 0.00 -1.18 0.00 0.00 32.58 29.68 1a5d s HIS 125 CO 0.01 -0.86 1.15 0.08 -0.65 0.00 0.00 174.74 174.47 1a5d s VAL 126 N 1.48 4.18 -0.07 0.89 1.01 0.99 -1.14 120.40 127.74 1a5d s VAL 126 Ca 0.11 1.20 -0.05 0.00 0.00 0.00 0.00 61.98 63.24 1a5d s VAL 126 Cb -0.18 -4.59 -0.27 0.00 0.00 0.00 0.00 36.38 31.33 1a5d s VAL 126 CO -0.22 -1.02 0.58 0.24 0.00 0.00 0.00 175.10 174.69 1a5d h MET 127 N 9.32 0.27 -3.03 2.72 2.86 -1.23 0.41 114.93 126.24 1a5d h MET 127 Ca -0.23 -0.45 -0.19 0.00 -2.06 0.00 0.00 59.70 56.76 1a5d h MET 127 Cb 1.06 0.17 -0.29 0.00 0.06 0.00 0.00 31.60 32.60 1a5d h MET 127 CO 1.13 1.14 -0.47 -1.21 1.06 0.00 0.00 176.91 178.55 1a5d s GLU 128 N -2.58 0.22 0.00 1.72 2.02 -1.08 -4.89 118.70 114.11 1a5d s GLU 128 Ca -0.16 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.35 1a5d s GLU 128 Cb 0.06 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.21 1a5d s GLU 128 CO 0.82 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.36 1a5d n GLY 129 N 4.07 -0.64 3.72 -1.39 0.00 -1.22 -1.27 105.19 108.47 1a5d n GLY 129 Ca -0.24 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.17 3.23 0.15 1.61 1.51 -1.26 -3.54 117.35 116.88 1a5d s TYR 130 Ca 0.00 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 1a5d s TYR 130 Cb 0.00 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1a5d s TYR 130 CO 0.00 0.52 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.33 1a5d s TRP 131 N -0.96 1.16 -0.19 2.71 0.52 0.58 -2.17 118.94 120.59 1a5d s TRP 131 Ca 0.15 -0.92 -0.00 0.00 0.02 0.00 0.00 56.10 55.35 1a5d s TRP 131 Cb -0.11 -0.65 0.01 0.00 -1.15 0.00 0.00 33.47 31.57 1a5d s TRP 131 CO 0.05 -0.11 -0.16 0.08 0.02 0.00 0.00 176.95 176.82 1a5d s VAL 132 N -3.55 2.38 -0.07 4.03 1.01 0.40 -0.52 120.40 124.07 1a5d s VAL 132 Ca 0.19 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.17 1a5d s VAL 132 Cb 0.05 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1a5d s VAL 132 CO 0.01 0.51 0.43 -0.22 0.00 0.00 0.00 175.10 175.84 1a5d s LEU 133 N 1.29 4.35 0.20 3.92 2.96 -0.26 -1.66 118.68 129.49 1a5d s LEU 133 Ca 0.04 0.85 0.10 0.00 -0.22 0.00 0.00 54.13 54.90 1a5d s LEU 133 Cb -0.13 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1a5d s LEU 133 CO -0.10 0.14 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.65 1a5d s TYR 134 N -0.08 2.56 0.00 5.38 2.02 -0.21 -0.82 117.35 126.21 1a5d s TYR 134 Ca 0.24 -0.25 0.16 0.00 -0.37 0.00 0.00 57.07 56.85 1a5d s TYR 134 Cb -0.16 -1.22 0.34 0.00 -0.40 0.00 0.00 41.96 40.52 1a5d s TYR 134 CO 0.11 0.55 1.57 1.49 -1.57 0.00 0.00 175.55 177.69 1a5d h GLU 135 N 2.74 0.00 -5.20 -0.62 4.81 -1.35 -2.00 114.58 112.95 1a5d h GLU 135 Ca -0.46 0.00 -0.38 0.00 -0.13 0.00 0.00 59.36 58.39 1a5d h GLU 135 Cb 1.22 0.00 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 1a5d h GLU 135 CO 0.55 0.47 -0.76 -1.64 -0.73 0.00 0.00 179.01 176.89 1a5d s MET 136 N -3.23 0.81 0.79 1.92 -1.94 -0.14 -2.86 119.30 114.65 1a5d s MET 136 Ca 0.02 -1.00 -0.15 0.00 -1.71 0.00 0.00 55.69 52.85 1a5d s MET 136 Cb 0.09 -0.72 -0.02 0.00 2.01 0.00 0.00 34.83 36.19 1a5d s MET 136 CO 0.72 0.15 0.51 -0.35 -0.01 0.00 0.00 175.02 176.04 1a5d n PRO 137 N 1.10 0.15 -1.92 2.03 -0.04 -1.26 -2.87 135.00 132.19 1a5d n PRO 137 Ca -0.20 0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.26 1a5d n PRO 137 Cb 0.55 -1.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1a5d n PRO 137 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a5d n ASN 138 N -0.62 -3.62 -3.22 3.54 4.13 0.13 -3.67 115.26 111.93 1a5d n ASN 138 Ca 0.09 0.07 -0.15 0.00 1.68 0.00 0.00 54.58 56.27 1a5d n ASN 138 Cb 0.51 -2.62 0.08 0.00 -1.54 0.00 0.00 39.78 36.21 1a5d n ASN 138 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1a5d n TYR 139 N -3.62 -2.02 -4.21 3.10 4.01 -1.21 -5.03 117.16 108.19 1a5d n TYR 139 Ca -0.11 0.86 -0.18 0.00 -0.16 0.00 0.00 57.90 58.30 1a5d n TYR 139 Cb 0.51 -4.79 -0.12 0.00 -0.31 0.00 0.00 39.34 34.63 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 -5.20 0.79 0.00 -0.72 1.81 -1.14 -5.05 118.95 109.45 1a5d s ARG 140 Ca 0.02 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 1a5d s ARG 140 Cb -0.00 -0.76 0.00 0.00 -0.45 0.00 0.00 34.95 33.74 1a5d s ARG 140 CO 0.67 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.87 1a5d n GLY 141 N 1.57 -0.73 3.79 -3.53 0.00 -1.26 -0.97 105.19 104.07 1a5d n GLY 141 Ca -0.20 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 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 3.38 0.05 1.61 0.52 -1.26 -4.78 118.95 118.47 1a5d s ARG 142 Ca 0.00 1.38 0.08 0.00 -0.52 0.00 0.00 55.73 56.67 1a5d s ARG 142 Cb 0.00 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 1a5d s ARG 142 CO 0.00 -0.78 -0.22 -0.65 0.02 0.00 0.00 175.30 173.67 1a5d s GLN 143 N -3.64 1.48 -0.07 3.54 -0.21 -1.26 -1.52 119.66 117.98 1a5d s GLN 143 Ca 0.67 -1.00 -0.02 0.00 0.02 0.00 0.00 55.36 55.03 1a5d s GLN 143 Cb -0.19 -1.62 0.03 0.00 1.00 0.00 0.00 33.01 32.23 1a5d s GLN 143 CO 0.30 0.41 0.04 0.71 -2.12 0.00 0.00 175.29 174.64 1a5d s TYR 144 N -0.83 0.30 0.09 0.91 2.02 -0.00 -4.03 117.35 115.81 1a5d s TYR 144 Ca 0.09 0.04 -0.31 0.00 -0.37 0.00 0.00 57.07 56.51 1a5d s TYR 144 Cb -0.09 -0.62 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 1a5d s TYR 144 CO 0.02 -0.28 1.45 -1.17 -1.57 0.00 0.00 175.55 174.00 1a5d s LEU 145 N 2.09 4.36 -0.21 -1.29 1.98 -1.26 -1.10 118.68 123.25 1a5d s LEU 145 Ca 0.05 2.33 -0.02 0.00 -2.89 0.00 0.00 54.13 53.60 1a5d s LEU 145 Cb -0.13 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.15 1a5d s LEU 145 CO -0.04 -0.72 -0.10 -0.76 -1.89 0.00 0.00 176.35 172.83 1a5d s LEU 146 N 1.63 2.61 0.41 -0.68 1.43 0.32 -4.94 118.68 119.47 1a5d s LEU 146 Ca 0.66 -0.51 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1a5d s LEU 146 Cb -0.37 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1a5d s LEU 146 CO 0.30 -0.02 0.39 -0.13 0.23 0.00 0.00 176.35 177.12 1a5d s ARG 147 N 1.40 2.57 0.33 1.70 0.52 -1.26 -0.31 118.95 123.90 1a5d s ARG 147 Ca 0.05 -1.49 -0.28 0.00 -0.52 0.00 0.00 55.73 53.49 1a5d s ARG 147 Cb -0.14 -2.42 -0.13 0.00 0.52 0.00 0.00 34.95 32.78 1a5d s ARG 147 CO -0.07 -0.18 1.23 -2.30 0.02 0.00 0.00 175.30 173.99 1a5d n PRO 148 N -1.57 1.95 0.00 3.54 -0.02 -1.23 -4.70 135.00 132.97 1a5d n PRO 148 Ca 0.04 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1a5d n PRO 148 Cb 0.61 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 0.89 0.96 3.28 -1.23 0.00 0.13 -4.95 105.19 104.28 1a5d n GLY 149 Ca 0.06 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.91 1.83 -0.24 1.61 2.02 -1.26 -0.01 118.70 120.74 1a5d s GLU 150 Ca 0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 54.97 54.04 1a5d s GLU 150 Cb 0.00 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.47 1a5d s GLU 150 CO 0.00 0.50 0.10 0.71 0.02 0.00 0.00 175.26 176.58 1a5d s TYR 151 N -0.64 0.59 -0.11 1.61 1.51 0.14 -5.01 117.35 115.44 1a5d s TYR 151 Ca 0.09 -0.83 0.15 0.00 -1.01 0.00 0.00 57.07 55.47 1a5d s TYR 151 Cb -0.09 -0.97 -0.06 0.00 -0.11 0.00 0.00 41.96 40.72 1a5d s TYR 151 CO 0.00 -0.71 1.15 0.00 -1.11 0.00 0.00 175.55 174.88 1a5d h ARG 152 N 8.34 0.00 -4.60 -0.62 3.08 -1.88 0.93 114.38 119.64 1a5d h ARG 152 Ca -0.17 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.64 1a5d h ARG 152 Cb 1.07 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.97 1a5d h ARG 152 CO 0.38 0.48 -0.62 1.03 -1.07 0.00 0.00 179.97 180.18 1a5d s ARG 153 N -2.90 1.20 0.52 0.04 0.52 -1.26 -1.37 118.95 115.71 1a5d s ARG 153 Ca 0.01 -1.63 0.27 0.00 -0.52 0.00 0.00 55.73 53.86 1a5d s ARG 153 Cb 0.08 0.26 1.45 0.00 0.52 0.00 0.00 34.95 37.26 1a5d s ARG 153 CO 0.78 -0.39 2.07 0.10 0.02 0.00 0.00 175.30 177.88 1a5d h TYR 154 N 2.62 0.00 0.00 -0.53 -0.00 -1.90 -1.75 116.97 115.41 1a5d h TYR 154 Ca -0.36 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.37 1a5d h TYR 154 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.98 1a5d h TYR 154 CO 0.35 0.12 -0.01 0.45 -0.00 0.00 0.00 178.16 179.07 1a5d h HIS 155 N 0.00 0.00 0.00 0.10 3.86 -1.93 -2.43 115.15 114.75 1a5d h HIS 155 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1a5d h HIS 155 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1a5d h HIS 155 CO 0.00 0.01 -0.17 -0.44 0.86 0.00 0.00 177.93 178.19 1a5d h ASP 156 N 0.00 0.00 -0.38 2.45 3.32 -1.65 -3.23 116.42 116.93 1a5d h ASP 156 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1a5d h ASP 156 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1a5d h ASP 156 CO 0.00 0.17 0.02 -2.67 -1.72 0.00 0.00 179.24 175.04 1a5d n TRP 157 N -3.16 1.35 -1.03 4.55 2.14 -0.95 -4.95 117.44 115.40 1a5d n TRP 157 Ca 0.03 -0.92 -0.01 0.00 2.07 0.00 0.00 57.50 58.67 1a5d n TRP 157 Cb 0.57 -0.41 -0.00 0.00 -0.81 0.00 0.00 31.31 30.66 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 -0.27 0.46 3.75 -1.67 0.00 -1.22 -4.72 105.19 101.52 1a5d n GLY 158 Ca 0.25 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.87 3.43 -2.08 4.61 0.00 -1.01 -4.91 121.76 119.93 1a5d s ALA 159 Ca 0.00 0.10 0.18 0.00 0.00 0.00 0.00 51.96 52.24 1a5d s ALA 159 Cb 0.00 -2.84 0.93 0.00 0.00 0.00 0.00 23.12 21.21 1a5d s ALA 159 CO 0.00 0.08 1.62 -0.12 0.00 0.00 0.00 175.76 177.34 1a5d n MET 160 N 2.99 1.23 -3.48 0.00 1.56 -1.26 -4.06 117.12 114.10 1a5d n MET 160 Ca -0.05 -0.34 -0.12 0.00 -0.27 0.00 0.00 57.70 56.92 1a5d n MET 160 Cb 0.51 -1.31 -0.03 0.00 2.15 0.00 0.00 33.22 34.54 1a5d n MET 160 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1a5d s ASN 161 N -1.54 -0.51 -0.06 6.12 2.47 -1.26 -5.07 114.94 115.10 1a5d s ASN 161 Ca 0.28 0.20 0.03 0.00 0.42 0.00 0.00 52.86 53.78 1a5d s ASN 161 Cb 0.13 0.49 0.18 0.00 -1.45 0.00 0.00 41.25 40.61 1a5d s ASN 161 CO 0.22 -0.73 0.81 0.00 -3.72 0.00 0.00 177.10 173.69 1a5d n ALA 162 N 0.05 2.84 -2.66 1.71 0.00 -1.26 -4.92 120.51 116.28 1a5d n ALA 162 Ca -0.14 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.44 1a5d n ALA 162 Cb 0.62 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1a5d n ALA 162 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a5d s ARG 163 N -1.34 4.24 -0.05 0.00 1.81 -1.26 -4.96 118.95 117.41 1a5d s ARG 163 Ca 0.12 1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 55.10 1a5d s ARG 163 Cb 0.09 -3.61 0.01 0.00 -0.45 0.00 0.00 34.95 31.00 1a5d s ARG 163 CO 0.03 -0.43 0.12 0.14 -0.68 0.00 0.00 175.30 174.48 1a5d s VAL 164 N 2.53 -0.00 0.00 3.52 -7.23 -1.25 -4.44 120.40 113.53 1a5d s VAL 164 Ca 0.37 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 1a5d s VAL 164 Cb -0.16 -0.17 0.00 0.00 0.56 0.00 0.00 36.38 36.61 1a5d s VAL 164 CO 0.10 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1a5d n GLY 165 N 3.08 0.00 3.31 2.32 0.00 -0.76 -4.85 105.19 108.28 1a5d n GLY 165 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.78 0.09 -0.06 1.61 1.04 -1.20 -1.31 113.70 113.08 1a5d s SER 166 Ca 0.00 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.36 1a5d s SER 166 Cb 0.00 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1a5d s SER 166 CO 0.00 -0.87 0.31 -0.22 0.98 0.00 0.00 173.24 173.45 1a5d s LEU 167 N -2.99 0.83 -0.08 2.42 2.96 0.14 -1.04 118.68 120.92 1a5d s LEU 167 Ca 0.19 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 54.29 1a5d s LEU 167 Cb 0.04 1.19 0.03 0.00 0.50 0.00 0.00 46.19 47.95 1a5d s LEU 167 CO 0.01 -0.29 0.37 0.00 -1.32 0.00 0.00 176.35 175.11 1a5d s ARG 168 N -0.65 0.57 -0.02 1.98 1.04 -0.66 -0.85 118.95 120.37 1a5d s ARG 168 Ca -0.07 0.20 -0.28 0.00 -1.04 0.00 0.00 55.73 54.54 1a5d s ARG 168 Cb -0.04 0.27 -0.03 0.00 -2.04 0.00 0.00 34.95 33.10 1a5d s ARG 168 CO 0.02 -0.12 0.90 1.03 -0.04 0.00 0.00 175.30 177.10 1a5d s ARG 169 N -0.53 4.52 -0.02 3.89 0.52 -1.26 -0.46 118.95 125.62 1a5d s ARG 169 Ca -0.06 1.27 -0.30 0.00 -0.52 0.00 0.00 55.73 56.12 1a5d s ARG 169 Cb -0.04 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1a5d s ARG 169 CO 0.03 -0.02 1.20 0.42 0.02 0.00 0.00 175.30 176.94 1a5d s ILE 170 N 0.97 4.21 0.17 1.52 1.01 -0.92 -4.82 121.20 123.34 1a5d s ILE 170 Ca 0.48 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1a5d s ILE 170 Cb -0.20 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1a5d s ILE 170 CO 0.25 0.04 0.00 0.23 0.00 0.00 0.00 174.94 175.46 1a5d n MET 171 N 4.81 0.00 0.00 2.79 2.81 -1.26 -4.78 117.12 121.49 1a5d n MET 171 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 1a5d n MET 171 Cb 0.46 -0.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.90 1a5d n MET 171 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1a5d n ASP 172 N -3.17 0.00 -4.28 7.83 -0.08 -1.26 -4.91 116.55 110.67 1a5d n ASP 172 Ca 0.00 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.83 1a5d n ASP 172 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1a5d n ASP 172 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1a5d s PHE 173 N -1.57 3.30 0.00 -0.67 5.36 -1.26 -5.07 117.98 118.08 1a5d s PHE 173 Ca 0.00 -1.46 0.00 0.00 -0.96 0.00 0.00 56.93 54.51 1a5d s PHE 173 Cb 0.00 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1a5d s PHE 173 CO 0.00 -1.01 0.00 0.66 -1.46 0.00 0.00 175.22 173.41