#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5i s LYS 2 N 0.00 0.48 -0.02 1.61 2.20 -0.52 -4.19 119.74 119.30 1i5i s LYS 2 Ca 0.00 1.14 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1i5i s LYS 2 Cb 0.00 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 1i5i s LYS 2 CO 0.00 -0.20 -0.09 -1.50 -0.36 0.00 0.00 175.35 173.20 1i5i s ILE 3 N 2.26 0.80 -0.07 5.43 2.07 -1.07 0.93 121.20 131.54 1i5i s ILE 3 Ca -0.06 -0.38 0.04 0.00 -1.41 0.00 0.00 60.65 58.83 1i5i s ILE 3 Cb -0.10 -0.70 0.00 0.00 0.13 0.00 0.00 42.46 41.80 1i5i s ILE 3 CO -0.16 0.24 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.04 1i5i s THR 4 N 0.07 1.62 -0.10 4.00 2.01 -1.01 -1.04 115.64 121.21 1i5i s THR 4 Ca -0.01 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1i5i s THR 4 Cb -0.07 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1i5i s THR 4 CO 0.00 0.46 0.08 -0.36 -0.69 0.00 0.00 174.62 174.11 1i5i s PHE 5 N 0.33 3.40 -0.02 4.92 0.08 0.14 -2.10 117.98 124.73 1i5i s PHE 5 Ca -0.13 0.37 0.08 0.00 0.12 0.00 0.00 56.93 57.37 1i5i s PHE 5 Cb -0.15 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1i5i s PHE 5 CO 0.05 0.62 -0.25 0.71 -0.10 0.00 0.00 175.22 176.25 1i5i s TYR 6 N -0.98 2.37 0.03 0.36 1.51 0.25 -1.09 117.35 119.80 1i5i s TYR 6 Ca 0.15 -0.41 0.14 0.00 -1.01 0.00 0.00 57.07 55.94 1i5i s TYR 6 Cb -0.12 -1.51 0.22 0.00 -0.11 0.00 0.00 41.96 40.44 1i5i s TYR 6 CO 0.04 -0.00 1.51 0.93 -1.11 0.00 0.00 175.55 176.92 1i5i h GLU 7 N 5.42 0.00 -5.68 -0.62 5.08 -1.32 -0.67 114.58 116.80 1i5i h GLU 7 Ca -0.44 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.30 1i5i h GLU 7 Cb 1.12 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.25 1i5i h GLU 7 CO 0.47 0.57 -0.58 -0.51 -1.00 0.00 0.00 179.01 177.97 1i5i s ASP 8 N -6.53 3.98 0.69 1.42 1.01 -0.93 -3.79 116.67 112.53 1i5i s ASP 8 Ca 0.02 -1.34 -0.12 0.00 0.71 0.00 0.00 52.55 51.82 1i5i s ASP 8 Cb 0.09 -0.37 0.01 0.00 1.01 0.00 0.00 42.92 43.67 1i5i s ASP 8 CO 0.74 -0.49 1.07 -0.13 0.21 0.00 0.00 175.17 176.58 1i5i s ARG 9 N -3.75 2.82 -1.36 8.23 0.52 -1.26 -3.64 118.95 120.50 1i5i s ARG 9 Ca 0.35 1.10 -0.04 0.00 -0.52 0.00 0.00 55.73 56.61 1i5i s ARG 9 Cb 0.09 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1i5i s ARG 9 CO 0.18 -1.20 0.54 0.41 0.02 0.00 0.00 175.30 175.24 1i5i n GLY 10 N -1.46 -0.37 3.09 -3.53 0.00 -0.38 -2.87 105.19 99.67 1i5i n GLY 10 Ca 0.08 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1i5i n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1i5i n PHE 11 N -4.36 -2.09 -3.85 1.61 3.72 -1.25 -4.99 117.46 106.24 1i5i n PHE 11 Ca -0.10 0.59 -0.21 0.00 -0.05 0.00 0.00 57.45 57.68 1i5i n PHE 11 Cb 0.61 -4.60 -0.04 0.00 -0.94 0.00 0.00 39.48 34.51 1i5i n PHE 11 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1i5i s GLN 12 N -5.78 2.74 0.50 -1.08 -1.52 -1.14 -5.03 119.66 108.36 1i5i s GLN 12 Ca 0.34 -1.27 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 1i5i s GLN 12 Cb -0.15 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1i5i s GLN 12 CO 0.42 0.13 0.00 0.41 -0.25 0.00 0.00 175.29 176.00 1i5i n GLY 13 N -1.35 -2.26 3.70 3.09 0.00 -1.26 -2.18 105.19 104.93 1i5i n GLY 13 Ca -0.03 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1i5i n GLY 13 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1i5i n HIS 14 N -0.36 2.09 -4.20 1.61 -0.00 -1.26 -4.66 115.22 108.43 1i5i n HIS 14 Ca 0.00 0.48 -0.13 0.00 -0.00 0.00 0.00 57.72 58.07 1i5i n HIS 14 Cb 0.00 -2.36 -0.10 0.00 -0.00 0.00 0.00 29.99 27.53 1i5i n HIS 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1i5i s TYR 16 N -4.10 -0.39 -0.01 0.00 5.04 -0.25 -4.96 117.35 112.68 1i5i s TYR 16 Ca 0.39 0.93 0.05 0.00 -2.44 0.00 0.00 57.07 56.00 1i5i s TYR 16 Cb 0.07 0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.48 1i5i s TYR 16 CO 0.13 -0.20 -0.15 -1.83 -1.34 0.00 0.00 175.55 172.17 1i5i s GLU 17 N 0.39 2.34 0.06 4.97 -1.05 -1.26 0.24 118.70 124.38 1i5i s GLU 17 Ca -0.02 -0.81 0.06 0.00 -0.15 0.00 0.00 54.97 54.05 1i5i s GLU 17 Cb -0.04 -2.32 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 1i5i s GLU 17 CO -0.02 0.59 -0.16 0.45 0.95 0.00 0.00 175.26 177.07 1i5i s SER 18 N -1.10 1.89 0.00 0.83 0.15 -0.20 -5.00 113.70 110.27 1i5i s SER 18 Ca 0.14 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1i5i s SER 18 Cb -0.11 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1i5i s SER 18 CO 0.03 0.02 0.71 -1.54 1.20 0.00 0.00 173.24 173.67 1i5i n SER 19 N 1.61 1.36 -3.01 5.45 3.41 -1.26 -2.61 113.62 118.57 1i5i n SER 19 Ca -0.19 -1.48 -0.14 0.00 -0.26 0.00 0.00 58.87 56.80 1i5i n SER 19 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1i5i n SER 19 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1i5i s SER 20 N -0.48 0.78 0.54 4.04 1.04 -1.26 -4.68 113.70 113.68 1i5i s SER 20 Ca 0.00 -1.46 -0.22 0.00 0.48 0.00 0.00 55.95 54.75 1i5i s SER 20 Cb 0.00 0.74 -0.05 0.00 0.10 0.00 0.00 66.02 66.81 1i5i s SER 20 CO 0.00 -1.46 1.36 -1.81 0.98 0.00 0.00 173.24 172.31 1i5i s ASP 21 N -3.22 5.29 -0.19 7.02 1.11 -1.26 -4.65 116.67 120.77 1i5i s ASP 21 Ca 0.26 2.77 -0.04 0.00 0.18 0.00 0.00 52.55 55.72 1i5i s ASP 21 Cb -0.02 -2.64 0.09 0.00 1.07 0.00 0.00 42.92 41.43 1i5i s ASP 21 CO 0.19 -1.56 0.25 0.00 1.18 0.00 0.00 175.17 175.24 1i5i n PRO 23 N 5.33 0.08 -3.15 0.00 -0.05 -1.26 -1.68 135.00 134.27 1i5i n PRO 23 Ca -0.05 0.29 0.04 0.00 -0.05 0.00 0.00 63.50 63.73 1i5i n PRO 23 Cb 0.50 -1.64 -0.01 0.00 -0.05 0.00 0.00 33.50 32.29 1i5i n PRO 23 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1i5i s ASN 24 N -3.50 -1.40 0.00 3.54 3.04 -1.23 0.10 114.94 115.49 1i5i s ASN 24 Ca 0.07 0.69 0.22 0.00 0.04 0.00 0.00 52.86 53.87 1i5i s ASN 24 Cb 0.10 2.10 -0.09 0.00 -1.54 0.00 0.00 41.25 41.82 1i5i s ASN 24 CO 0.34 -0.26 1.01 0.18 -3.04 0.00 0.00 177.10 175.33 1i5i n LEU 25 N 5.43 1.47 -0.25 3.21 4.77 -0.74 -4.55 117.00 126.32 1i5i n LEU 25 Ca 0.00 -0.60 0.03 0.00 -0.03 0.00 0.00 56.01 55.42 1i5i n LEU 25 Cb 0.52 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 41.73 1i5i n LEU 25 CO 0.00 0.31 0.78 1.56 -1.33 0.00 0.00 177.39 178.71 1i5i h GLN 26 N 1.15 0.06 0.00 3.23 4.20 -1.78 0.66 115.11 122.63 1i5i h GLN 26 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1i5i h GLN 26 Cb 0.62 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1i5i h GLN 26 CO 0.00 0.04 0.08 -1.35 -0.67 0.00 0.00 178.83 176.92 1i5i h PRO 27 N 0.06 0.00 0.03 1.46 0.11 -1.99 -3.12 132.00 128.55 1i5i h PRO 27 Ca 0.39 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.13 1i5i h PRO 27 Cb 0.65 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.70 1i5i h PRO 27 CO -0.70 0.00 -2.26 0.66 -0.21 0.00 0.00 178.00 175.49 1i5i n TYR 28 N -2.73 0.38 -3.66 0.65 4.01 0.23 -5.00 117.16 111.03 1i5i n TYR 28 Ca -0.02 0.10 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 1i5i n TYR 28 Cb 0.13 -1.06 -0.07 0.00 -0.31 0.00 0.00 39.34 38.04 1i5i n TYR 28 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1i5i s PHE 29 N -2.53 -0.30 -1.24 -0.72 -0.12 -1.00 -4.87 117.98 107.20 1i5i s PHE 29 Ca -0.22 0.36 0.22 0.00 -0.05 0.00 0.00 56.93 57.23 1i5i s PHE 29 Cb 0.08 0.22 -0.08 0.00 -0.63 0.00 0.00 43.02 42.61 1i5i s PHE 29 CO 0.72 -0.54 1.01 -1.13 -0.05 0.00 0.00 175.22 175.24 1i5i n SER 30 N 0.72 1.16 -3.59 1.98 3.41 -1.26 -4.39 113.62 111.65 1i5i n SER 30 Ca -0.19 -1.02 -0.08 0.00 -0.26 0.00 0.00 58.87 57.32 1i5i n SER 30 Cb 0.59 0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 65.30 1i5i n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i5i s ARG 31 N -2.88 1.10 -0.11 4.33 1.70 -1.26 -5.00 118.95 116.82 1i5i s ARG 31 Ca 0.11 -0.49 -0.04 0.00 -0.47 0.00 0.00 55.73 54.84 1i5i s ARG 31 Cb 0.17 0.45 0.05 0.00 -0.57 0.00 0.00 34.95 35.05 1i5i s ARG 31 CO 0.78 -0.49 0.12 0.00 -1.08 0.00 0.00 175.30 174.63 1i5i n ASN 33 N 5.30 0.12 -3.55 0.00 3.02 -0.27 -4.46 115.26 115.42 1i5i n ASN 33 Ca -0.05 -0.53 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 1i5i n ASN 33 Cb 0.50 0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 40.41 1i5i n ASN 33 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1i5i s SER 34 N -0.79 -0.52 -0.00 6.41 1.04 -1.12 -2.61 113.70 116.10 1i5i s SER 34 Ca 0.00 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 1i5i s SER 34 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1i5i s SER 34 CO 0.00 -0.69 0.02 -0.63 0.98 0.00 0.00 173.24 172.92 1i5i s ILE 35 N -2.03 0.01 -0.31 -1.02 1.01 -0.48 -0.58 121.20 117.80 1i5i s ILE 35 Ca -0.07 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1i5i s ILE 35 Cb -0.01 -0.07 0.09 0.00 0.01 0.00 0.00 42.46 42.48 1i5i s ILE 35 CO 0.02 -0.07 0.01 -0.13 0.00 0.00 0.00 174.94 174.77 1i5i s ARG 36 N -0.19 1.62 -0.44 2.79 0.52 -0.89 -1.04 118.95 121.32 1i5i s ARG 36 Ca -0.02 -1.64 -0.26 0.00 -0.52 0.00 0.00 55.73 53.29 1i5i s ARG 36 Cb -0.01 -3.01 0.03 0.00 0.52 0.00 0.00 34.95 32.47 1i5i s ARG 36 CO -0.00 -0.83 0.97 0.08 0.02 0.00 0.00 175.30 175.54 1i5i s VAL 37 N 1.03 4.44 -0.00 3.52 1.01 -0.75 -2.39 120.40 127.26 1i5i s VAL 37 Ca 0.05 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 62.88 1i5i s VAL 37 Cb -0.19 -4.45 -0.31 0.00 0.00 0.00 0.00 36.38 31.43 1i5i s VAL 37 CO -0.08 -0.81 0.86 0.44 0.00 0.00 0.00 175.10 175.50 1i5i h ASP 38 N 8.98 0.58 -4.84 3.32 3.32 0.25 -2.41 116.42 125.62 1i5i h ASP 38 Ca -0.24 -0.75 0.01 0.00 0.02 0.00 0.00 57.03 56.08 1i5i h ASP 38 Cb 1.07 -0.19 -0.15 0.00 0.22 0.00 0.00 39.33 40.28 1i5i h ASP 38 CO 1.04 1.61 0.30 -0.94 -1.72 0.00 0.00 179.24 179.54 1i5i s SER 39 N -7.24 -0.52 0.00 6.45 1.04 -0.93 -4.90 113.70 107.60 1i5i s SER 39 Ca -0.11 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1i5i s SER 39 Cb 0.06 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1i5i s SER 39 CO 0.88 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.95 1i5i n GLY 40 N 0.01 -0.80 3.55 7.32 0.00 -1.26 -1.44 105.19 112.57 1i5i n GLY 40 Ca -0.15 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1i5i n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5i s TRP 42 N 0.13 1.22 -0.26 0.00 0.52 -0.43 -0.94 118.94 119.19 1i5i s TRP 42 Ca 0.00 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.75 1i5i s TRP 42 Cb -0.13 -0.72 0.05 0.00 -1.15 0.00 0.00 33.47 31.52 1i5i s TRP 42 CO 0.02 0.04 -0.10 1.41 0.02 0.00 0.00 176.95 178.35 1i5i s MET 43 N -1.31 2.40 0.10 4.98 1.75 -0.49 -0.54 119.30 126.18 1i5i s MET 43 Ca 0.01 -1.25 -0.07 0.00 -1.25 0.00 0.00 55.69 53.13 1i5i s MET 43 Cb -0.08 -2.92 -0.05 0.00 2.84 0.00 0.00 34.83 34.61 1i5i s MET 43 CO 0.02 -0.53 0.36 -0.51 -0.65 0.00 0.00 175.02 173.71 1i5i s LEU 44 N 1.16 4.31 -0.03 4.11 1.43 0.44 -0.75 118.68 129.36 1i5i s LEU 44 Ca -0.06 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 53.73 1i5i s LEU 44 Cb -0.19 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 1i5i s LEU 44 CO -0.05 0.13 -0.17 -0.31 0.23 0.00 0.00 176.35 176.18 1i5i s TYR 45 N -1.50 1.59 0.41 0.29 1.51 0.16 -0.97 117.35 118.83 1i5i s TYR 45 Ca 0.36 -0.39 0.15 0.00 -1.01 0.00 0.00 57.07 56.18 1i5i s TYR 45 Cb -0.13 -1.05 0.94 0.00 -0.11 0.00 0.00 41.96 41.60 1i5i s TYR 45 CO 0.21 -0.10 1.93 1.49 -1.11 0.00 0.00 175.55 177.97 1i5i h GLU 46 N 6.04 0.00 -5.58 -0.62 4.81 -1.32 0.30 114.58 118.21 1i5i h GLU 46 Ca -0.34 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.44 1i5i h GLU 46 Cb 1.16 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 1i5i h GLU 46 CO 0.48 0.25 -0.74 1.03 -0.73 0.00 0.00 179.01 179.30 1i5i s ARG 47 N -4.40 1.28 0.89 1.92 0.52 -0.97 -3.76 118.95 114.43 1i5i s ARG 47 Ca -0.03 -1.53 -0.10 0.00 -0.52 0.00 0.00 55.73 53.55 1i5i s ARG 47 Cb 0.15 -1.11 0.13 0.00 0.52 0.00 0.00 34.95 34.64 1i5i s ARG 47 CO 0.70 0.19 1.14 -1.25 0.02 0.00 0.00 175.30 176.10 1i5i s PRO 48 N -3.45 1.23 -1.43 3.54 0.05 -1.25 -3.21 135.00 130.48 1i5i s PRO 48 Ca 0.20 1.52 -0.04 0.00 0.05 0.00 0.00 61.00 62.73 1i5i s PRO 48 Cb -0.02 -1.75 0.00 0.00 0.05 0.00 0.00 34.50 32.78 1i5i s PRO 48 CO 0.06 -2.47 0.48 0.09 0.05 0.00 0.00 177.00 175.21 1i5i n ASN 49 N -4.07 -5.65 -3.40 6.66 3.02 0.29 -3.55 115.26 108.56 1i5i n ASN 49 Ca 0.12 -0.23 -0.20 0.00 -0.03 0.00 0.00 54.58 54.24 1i5i n ASN 49 Cb 0.52 -4.50 0.06 0.00 -0.61 0.00 0.00 39.78 35.25 1i5i n ASN 49 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1i5i n TYR 50 N -4.35 -2.27 -4.44 3.10 0.53 -1.24 -5.03 117.16 103.47 1i5i n TYR 50 Ca -0.12 0.74 -0.21 0.00 -1.02 0.00 0.00 57.90 57.28 1i5i n TYR 50 Cb 0.62 -3.96 -0.10 0.00 -1.03 0.00 0.00 39.34 34.87 1i5i n TYR 50 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1i5i s GLN 51 N -4.96 1.65 2.17 -0.72 -0.21 -1.20 -5.05 119.66 111.34 1i5i s GLN 51 Ca 0.43 -1.92 0.00 0.00 0.02 0.00 0.00 55.36 53.89 1i5i s GLN 51 Cb -0.09 -0.76 0.00 0.00 1.00 0.00 0.00 33.01 33.16 1i5i s GLN 51 CO 0.78 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 174.13 1i5i n GLY 52 N -0.68 -0.86 3.64 3.09 0.00 -1.26 -2.29 105.19 106.83 1i5i n GLY 52 Ca -0.02 -1.17 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 1i5i n GLY 52 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1i5i n HIS 53 N -0.11 1.84 -4.46 1.61 8.25 -1.26 -4.69 115.22 116.40 1i5i n HIS 53 Ca 0.00 0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 57.66 1i5i n HIS 53 Cb 0.00 -2.39 -0.10 0.00 1.12 0.00 0.00 29.99 28.61 1i5i n HIS 53 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1i5i s GLN 54 N -0.40 2.58 -0.05 -0.41 -0.21 -1.26 -1.73 119.66 118.17 1i5i s GLN 54 Ca 0.70 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1i5i s GLN 54 Cb -0.72 -2.52 0.02 0.00 1.00 0.00 0.00 33.01 30.79 1i5i s GLN 54 CO 0.51 0.61 -0.03 0.71 -2.12 0.00 0.00 175.29 174.96 1i5i s TYR 55 N -0.99 0.74 -0.20 0.91 2.02 -0.14 -4.28 117.35 115.41 1i5i s TYR 55 Ca 0.17 -0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.47 1i5i s TYR 55 Cb -0.11 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1i5i s TYR 55 CO 0.07 -0.24 0.54 0.12 -1.57 0.00 0.00 175.55 174.47 1i5i s PHE 56 N 1.26 3.37 -0.02 2.71 5.36 -1.26 -0.42 117.98 128.98 1i5i s PHE 56 Ca -0.06 0.80 0.04 0.00 -0.96 0.00 0.00 56.93 56.75 1i5i s PHE 56 Cb -0.14 -2.70 -0.00 0.00 -0.34 0.00 0.00 43.02 39.84 1i5i s PHE 56 CO -0.02 -0.12 -0.13 -0.51 -1.46 0.00 0.00 175.22 172.98 1i5i s LEU 57 N 1.72 1.92 0.00 6.12 1.02 0.30 -5.01 118.68 124.75 1i5i s LEU 57 Ca 0.25 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.16 1i5i s LEU 57 Cb -0.15 -0.73 0.02 0.00 0.02 0.00 0.00 46.19 45.34 1i5i s LEU 57 CO 0.10 0.13 0.16 0.54 0.02 0.00 0.00 176.35 177.30 1i5i n ARG 58 N 3.01 0.78 -1.66 1.70 1.74 -1.26 -1.31 116.66 119.67 1i5i n ARG 58 Ca -0.16 -3.42 -0.45 0.00 -0.77 0.00 0.00 57.85 53.05 1i5i n ARG 58 Cb 0.54 0.70 -0.02 0.00 -1.02 0.00 0.00 32.46 32.66 1i5i n ARG 58 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i5i n ARG 59 N -1.42 1.88 0.00 5.56 1.85 -1.26 -4.68 116.66 118.59 1i5i n ARG 59 Ca -0.13 0.66 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 1i5i n ARG 59 Cb 0.61 -2.25 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 1i5i n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i5i n GLY 60 N 1.71 0.31 3.83 2.89 0.00 -0.91 -4.97 105.19 108.06 1i5i n GLY 60 Ca 0.10 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1i5i n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i5i s ASP 61 N 0.00 6.26 -0.40 1.61 1.01 -1.26 -1.81 116.67 122.08 1i5i s ASP 61 Ca 0.00 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.67 1i5i s ASP 61 Cb 0.00 -2.03 0.13 0.00 1.01 0.00 0.00 42.92 42.03 1i5i s ASP 61 CO 0.00 0.36 0.20 -0.31 0.21 0.00 0.00 175.17 175.63 1i5i s TYR 62 N -0.73 1.89 -0.44 4.23 1.51 -0.20 -5.00 117.35 118.61 1i5i s TYR 62 Ca 0.13 -2.24 0.25 0.00 -1.01 0.00 0.00 57.07 54.20 1i5i s TYR 62 Cb -0.12 -1.82 1.00 0.00 -0.11 0.00 0.00 41.96 40.91 1i5i s TYR 62 CO 0.03 -0.81 1.75 -1.00 -1.11 0.00 0.00 175.55 174.40 1i5i h PRO 63 N 7.08 0.00 -3.07 -1.71 0.14 -1.87 -1.27 132.00 131.30 1i5i h PRO 63 Ca -0.04 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 66.05 1i5i h PRO 63 Cb 0.95 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 31.95 1i5i h PRO 63 CO 0.47 0.00 0.00 0.16 0.14 0.00 0.00 178.00 178.77 1i5i s ASP 64 N -4.45 -0.36 0.57 1.44 1.47 -1.21 -1.24 116.67 112.89 1i5i s ASP 64 Ca 0.04 -0.06 0.38 0.00 1.18 0.00 0.00 52.55 54.09 1i5i s ASP 64 Cb 0.09 0.49 1.85 0.00 -0.34 0.00 0.00 42.92 45.02 1i5i s ASP 64 CO 0.43 -0.80 2.13 0.10 0.68 0.00 0.00 175.17 177.72 1i5i h TYR 65 N 2.55 0.00 0.00 2.11 -0.00 -1.80 -0.98 116.97 118.85 1i5i h TYR 65 Ca -0.33 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.38 1i5i h TYR 65 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.97 1i5i h TYR 65 CO 0.34 0.00 -0.12 1.96 -0.00 0.00 0.00 178.16 180.34 1i5i h GLN 66 N 0.00 0.00 0.00 0.10 4.20 -1.91 -1.39 115.11 116.11 1i5i h GLN 66 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1i5i h GLN 66 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1i5i h GLN 66 CO 0.00 0.12 -0.18 1.96 -0.67 0.00 0.00 178.83 180.05 1i5i h GLN 67 N 0.00 0.00 -0.19 1.46 1.08 -1.57 -2.43 115.11 113.47 1i5i h GLN 67 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1i5i h GLN 67 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1i5i h GLN 67 CO 0.02 0.18 0.00 -2.67 -0.95 0.00 0.00 178.83 175.41 1i5i n TRP 68 N -3.73 0.62 -3.32 2.96 2.14 -1.01 -4.96 117.44 110.15 1i5i n TRP 68 Ca -0.02 -0.87 -0.19 0.00 2.07 0.00 0.00 57.50 58.49 1i5i n TRP 68 Cb 0.30 -0.24 0.06 0.00 -0.81 0.00 0.00 31.31 30.62 1i5i n TRP 68 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 1i5i n MET 69 N -0.67 -6.14 -2.37 -2.67 2.81 -0.91 -4.78 117.12 102.38 1i5i n MET 69 Ca 0.18 0.69 -0.40 0.00 -1.81 0.00 0.00 57.70 56.35 1i5i n MET 69 Cb 0.77 -5.26 -0.04 0.00 -0.71 0.00 0.00 33.22 27.98 1i5i n MET 69 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1i5i s GLY 70 N -3.19 3.03 0.15 3.03 0.00 -0.56 -4.95 107.32 104.85 1i5i s GLY 70 Ca 0.45 1.00 -0.06 0.00 0.00 0.00 0.00 44.72 46.11 1i5i s GLY 70 CO 0.55 1.63 1.41 -2.75 0.00 0.00 0.00 173.10 173.95 1i5i h PHE 71 N 3.75 0.79 -0.98 1.90 3.57 -1.93 -3.44 116.94 120.60 1i5i h PHE 71 Ca -0.47 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 60.70 1i5i h PHE 71 Cb 1.22 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1i5i h PHE 71 CO 0.58 1.10 0.00 0.27 -2.23 0.00 0.00 178.31 178.03 1i5i n ASN 72 N -3.91 0.00 -2.15 0.41 0.23 -1.26 -5.05 115.26 103.52 1i5i n ASN 72 Ca -0.05 0.00 -0.28 0.00 -0.53 0.00 0.00 54.58 53.72 1i5i n ASN 72 Cb 0.68 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.50 1i5i n ASN 72 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1i5i n ASP 73 N 0.00 5.84 -4.31 0.53 5.68 -1.26 -4.92 116.55 118.11 1i5i n ASP 73 Ca 0.00 -3.74 -0.36 0.00 -0.50 0.00 0.00 54.79 50.19 1i5i n ASP 73 Cb 0.00 -0.84 -0.13 0.00 -1.14 0.00 0.00 41.12 39.01 1i5i n ASP 73 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1i5i s SER 74 N -1.97 4.73 -0.23 -1.12 0.15 -1.26 -0.61 113.70 113.39 1i5i s SER 74 Ca 0.59 -0.61 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 1i5i s SER 74 Cb 0.48 -1.80 0.07 0.00 -1.71 0.00 0.00 66.02 63.06 1i5i s SER 74 CO 0.03 -0.12 0.00 -0.63 1.20 0.00 0.00 173.24 173.72 1i5i s ILE 75 N 1.47 1.09 -0.14 6.45 -1.09 -1.26 -4.12 121.20 123.61 1i5i s ILE 75 Ca 0.03 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1i5i s ILE 75 Cb -0.16 -1.52 0.02 0.00 -1.58 0.00 0.00 42.46 39.21 1i5i s ILE 75 CO -0.00 -0.24 0.66 0.54 -1.23 0.00 0.00 174.94 174.67 1i5i n ARG 76 N 4.82 0.11 -3.58 2.79 1.74 0.10 -4.75 116.66 117.90 1i5i n ARG 76 Ca -0.09 -0.82 -0.11 0.00 -0.77 0.00 0.00 57.85 56.06 1i5i n ARG 76 Cb 0.45 -1.02 -0.06 0.00 -1.02 0.00 0.00 32.46 30.81 1i5i n ARG 76 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i5i s SER 77 N -0.32 -0.43 0.02 0.55 1.04 -1.13 -1.80 113.70 111.63 1i5i s SER 77 Ca 0.02 0.53 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 1i5i s SER 77 Cb 0.01 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1i5i s SER 77 CO 0.02 -0.35 0.05 0.00 0.98 0.00 0.00 173.24 173.93 1i5i s ARG 79 N -1.70 2.01 -0.39 0.00 0.52 0.07 -1.24 118.95 118.22 1i5i s ARG 79 Ca -0.13 -0.55 -0.22 0.00 -0.52 0.00 0.00 55.73 54.32 1i5i s ARG 79 Cb -0.07 -1.63 0.01 0.00 0.52 0.00 0.00 34.95 33.79 1i5i s ARG 79 CO -0.01 0.09 0.69 -1.17 0.02 0.00 0.00 175.30 174.93 1i5i s LEU 80 N 0.50 4.28 -0.21 2.53 2.96 -1.26 -1.39 118.68 126.08 1i5i s LEU 80 Ca -0.14 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.55 1i5i s LEU 80 Cb -0.16 -2.85 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1i5i s LEU 80 CO 0.05 -0.72 0.86 -0.63 -1.32 0.00 0.00 176.35 174.59 1i5i s ILE 81 N 2.92 4.83 0.20 6.68 1.01 -0.12 -4.89 121.20 131.84 1i5i s ILE 81 Ca 0.26 1.66 -0.32 0.00 0.00 0.00 0.00 60.65 62.26 1i5i s ILE 81 Cb -0.14 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.07 1i5i s ILE 81 CO 0.18 -0.05 1.64 -2.84 0.00 0.00 0.00 174.94 173.86 1i5i s PRO 82 N 2.64 4.16 0.27 2.79 0.02 -1.26 -4.49 135.00 139.13 1i5i s PRO 82 Ca 0.38 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.60 1i5i s PRO 82 Cb -0.16 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.17 1i5i s PRO 82 CO 0.09 -0.67 1.34 -1.14 -0.33 0.00 0.00 177.00 176.29 1i5i s GLN 83 N 0.94 4.35 -0.15 5.54 0.74 -1.26 -4.81 119.66 125.01 1i5i s GLN 83 Ca 0.71 2.18 0.01 0.00 0.05 0.00 0.00 55.36 58.32 1i5i s GLN 83 Cb -0.47 -3.12 -0.00 0.00 1.10 0.00 0.00 33.01 30.52 1i5i s GLN 83 CO 0.34 -0.27 -0.17 -1.58 -0.55 0.00 0.00 175.29 173.06 1i5i s HIS 84 N -0.42 2.75 -0.13 1.67 5.65 -1.26 -5.10 115.29 118.44 1i5i s HIS 84 Ca 0.54 -1.08 -0.06 0.00 0.25 0.00 0.00 55.06 54.72 1i5i s HIS 84 Cb -0.39 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.11 1i5i s HIS 84 CO 0.45 -0.48 0.08 0.95 -0.65 0.00 0.00 174.74 175.09 1i5i s THR 85 N 0.76 4.94 0.00 0.89 -4.23 -1.26 -4.94 115.64 111.79 1i5i s THR 85 Ca -0.07 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1i5i s THR 85 Cb -0.16 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1i5i s THR 85 CO 0.00 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1i5i n GLY 86 N 2.56 0.42 3.75 3.99 0.00 -1.26 -5.00 105.19 109.65 1i5i n GLY 86 Ca -0.18 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1i5i n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5i s THR 87 N 0.00 5.05 -0.03 2.61 2.01 -1.26 -5.07 115.64 118.96 1i5i s THR 87 Ca 0.00 1.10 -0.16 0.00 0.31 0.00 0.00 61.69 62.94 1i5i s THR 87 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1i5i s THR 87 CO 0.00 0.38 0.44 -0.36 -0.69 0.00 0.00 174.62 174.38 1i5i s PHE 88 N 0.16 3.68 -0.15 4.92 0.40 -1.26 -4.60 117.98 121.13 1i5i s PHE 88 Ca 0.29 0.98 -0.09 0.00 -0.60 0.00 0.00 56.93 57.51 1i5i s PHE 88 Cb -0.17 -2.37 0.05 0.00 0.51 0.00 0.00 43.02 41.04 1i5i s PHE 88 CO 0.14 0.51 0.36 0.50 0.70 0.00 0.00 175.22 177.43 1i5i s ARG 89 N -0.62 0.35 0.07 0.44 3.52 -0.65 -4.22 118.95 117.85 1i5i s ARG 89 Ca 0.24 0.65 -0.13 0.00 -0.13 0.00 0.00 55.73 56.37 1i5i s ARG 89 Cb -0.16 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.25 1i5i s ARG 89 CO 0.13 -0.13 0.29 0.00 -0.81 0.00 0.00 175.30 174.78 1i5i s MET 90 N 1.07 0.86 -0.08 5.12 0.23 -0.57 -1.19 119.30 124.74 1i5i s MET 90 Ca -0.07 -0.64 0.04 0.00 -1.03 0.00 0.00 55.69 54.00 1i5i s MET 90 Cb -0.07 0.37 -0.00 0.00 -1.53 0.00 0.00 34.83 33.59 1i5i s MET 90 CO -0.08 -0.28 -0.23 1.03 -2.03 0.00 0.00 175.02 173.42 1i5i s ARG 91 N -3.03 2.75 0.10 3.16 0.52 -0.27 0.34 118.95 122.53 1i5i s ARG 91 Ca -0.02 -0.84 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 1i5i s ARG 91 Cb 0.01 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1i5i s ARG 91 CO -0.06 0.23 -0.01 0.96 0.02 0.00 0.00 175.30 176.43 1i5i s ILE 92 N 0.21 3.89 0.03 1.52 -4.36 0.43 -0.63 121.20 122.29 1i5i s ILE 92 Ca -0.14 -1.08 0.06 0.00 -0.26 0.00 0.00 60.65 59.23 1i5i s ILE 92 Cb -0.16 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 1i5i s ILE 92 CO 0.07 0.09 -0.17 -0.31 0.24 0.00 0.00 174.94 174.86 1i5i s TYR 93 N -1.35 1.46 0.11 1.37 1.51 0.03 -1.23 117.35 119.25 1i5i s TYR 93 Ca 0.25 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.66 1i5i s TYR 93 Cb -0.11 -0.88 -0.11 0.00 -0.11 0.00 0.00 41.96 40.75 1i5i s TYR 93 CO 0.18 0.05 1.50 0.93 -1.11 0.00 0.00 175.55 177.10 1i5i h GLU 94 N 5.03 -0.46 -6.04 -0.62 5.08 -1.05 -3.07 114.58 113.45 1i5i h GLU 94 Ca -0.39 0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.47 1i5i h GLU 94 Cb 1.17 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1i5i h GLU 94 CO 0.45 -0.30 -0.44 1.03 -1.00 0.00 0.00 179.01 178.74 1i5i s ARG 95 N -5.45 2.39 0.99 2.33 0.52 0.50 -3.82 118.95 116.41 1i5i s ARG 95 Ca -0.14 -1.68 -0.12 0.00 -0.52 0.00 0.00 55.73 53.27 1i5i s ARG 95 Cb 0.07 -2.19 0.19 0.00 0.52 0.00 0.00 34.95 33.54 1i5i s ARG 95 CO 0.56 -0.15 1.10 0.16 0.02 0.00 0.00 175.30 176.99 1i5i s ASP 96 N -4.02 2.68 -1.77 0.23 -4.77 -1.24 -3.21 116.67 104.57 1i5i s ASP 96 Ca 0.44 1.13 0.00 0.00 -3.30 0.00 0.00 52.55 50.83 1i5i s ASP 96 Cb 0.00 -1.78 0.00 0.00 -1.09 0.00 0.00 42.92 40.05 1i5i s ASP 96 CO 0.25 -3.09 0.00 -0.67 0.70 0.00 0.00 175.17 172.36 1i5i n ASP 97 N -4.14 -5.71 -2.71 2.11 4.64 0.45 -2.72 116.55 108.47 1i5i n ASP 97 Ca 0.05 0.04 -0.18 0.00 -1.38 0.00 0.00 54.79 53.33 1i5i n ASP 97 Cb 0.58 -4.76 0.05 0.00 -1.04 0.00 0.00 41.12 35.95 1i5i n ASP 97 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1i5i n PHE 98 N -3.82 -2.02 -4.21 -0.67 3.01 -1.25 -5.01 117.46 103.48 1i5i n PHE 98 Ca -0.23 0.69 -0.24 0.00 1.01 0.00 0.00 57.45 58.67 1i5i n PHE 98 Cb 0.68 -3.94 -0.08 0.00 -0.01 0.00 0.00 39.48 36.14 1i5i n PHE 98 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1i5i s ARG 99 N -5.87 2.20 0.89 -1.08 0.52 -1.10 -5.01 118.95 109.50 1i5i s ARG 99 Ca 0.40 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 1i5i s ARG 99 Cb -0.17 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1i5i s ARG 99 CO 0.49 0.05 0.00 0.41 0.02 0.00 0.00 175.30 176.27 1i5i n GLY 100 N -1.10 -2.00 3.75 -3.53 0.00 -1.26 -0.37 105.19 100.68 1i5i n GLY 100 Ca -0.03 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1i5i n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i5i n GLN 101 N -0.57 2.67 -4.39 1.61 7.27 -1.26 -4.53 117.38 118.18 1i5i n GLN 101 Ca 0.00 0.95 -0.34 0.00 0.07 0.00 0.00 57.00 57.67 1i5i n GLN 101 Cb 0.02 -2.71 -0.10 0.00 2.41 0.00 0.00 30.24 29.86 1i5i n GLN 101 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1i5i s MET 102 N -0.98 3.20 -0.03 3.69 -2.45 -1.26 -1.05 119.30 120.42 1i5i s MET 102 Ca 0.61 -0.45 0.04 0.00 -1.25 0.00 0.00 55.69 54.64 1i5i s MET 102 Cb -0.49 -2.83 -0.00 0.00 1.25 0.00 0.00 34.83 32.75 1i5i s MET 102 CO 0.53 0.55 -0.15 -1.12 1.05 0.00 0.00 175.02 175.89 1i5i s SER 103 N -0.48 1.88 -0.13 1.11 0.01 -0.37 -4.97 113.70 110.75 1i5i s SER 103 Ca 0.08 -0.30 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 1i5i s SER 103 Cb -0.12 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.59 1i5i s SER 103 CO 0.02 0.14 0.29 -0.70 0.41 0.00 0.00 173.24 173.40 1i5i s GLU 104 N 0.02 4.09 -0.06 12.44 2.12 -1.26 -0.43 118.70 135.62 1i5i s GLU 104 Ca -0.02 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.47 1i5i s GLU 104 Cb -0.10 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 1i5i s GLU 104 CO 0.01 0.38 -0.23 0.42 -0.54 0.00 0.00 175.26 175.31 1i5i s ILE 105 N 0.02 1.89 0.00 -3.70 1.01 0.15 -4.99 121.20 115.58 1i5i s ILE 105 Ca 0.17 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1i5i s ILE 105 Cb -0.13 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1i5i s ILE 105 CO 0.05 0.53 0.39 0.35 0.00 0.00 0.00 174.94 176.26 1i5i n THR 106 N 3.05 0.11 -4.30 2.92 -2.24 -1.26 -1.50 114.28 111.05 1i5i n THR 106 Ca -0.18 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1i5i n THR 106 Cb 0.52 1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 69.95 1i5i n THR 106 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i5i s ASP 107 N -0.11 1.40 0.43 3.42 1.47 -1.26 -4.52 116.67 117.50 1i5i s ASP 107 Ca 0.00 -1.60 -0.25 0.00 1.18 0.00 0.00 52.55 51.87 1i5i s ASP 107 Cb 0.00 0.45 -0.08 0.00 -0.34 0.00 0.00 42.92 42.95 1i5i s ASP 107 CO 0.00 -0.94 1.37 -1.81 0.68 0.00 0.00 175.17 174.47 1i5i s ASP 108 N -3.35 6.04 -0.35 2.11 1.01 -1.26 -4.82 116.67 116.05 1i5i s ASP 108 Ca 0.37 2.79 -0.00 0.00 0.71 0.00 0.00 52.55 56.43 1i5i s ASP 108 Cb 0.04 -2.65 0.12 0.00 1.01 0.00 0.00 42.92 41.44 1i5i s ASP 108 CO 0.20 -1.05 0.16 0.00 0.21 0.00 0.00 175.17 174.69 1i5i h PRO 110 N 7.54 0.00 -1.32 0.00 0.14 -1.89 0.16 132.00 136.64 1i5i h PRO 110 Ca -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 66.05 1i5i h PRO 110 Cb 0.98 0.00 -0.24 0.00 0.14 0.00 0.00 31.00 31.88 1i5i h PRO 110 CO 0.44 0.00 -0.38 0.45 0.14 0.00 0.00 178.00 178.65 1i5i s SER 111 N -4.78 -0.80 0.20 1.44 0.15 -1.25 0.69 113.70 109.35 1i5i s SER 111 Ca 0.04 0.42 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 1i5i s SER 111 Cb 0.09 1.74 0.15 0.00 -1.71 0.00 0.00 66.02 66.29 1i5i s SER 111 CO 0.46 -0.29 1.53 -0.07 1.20 0.00 0.00 173.24 176.06 1i5i h LEU 112 N 8.07 0.55 -0.09 3.45 4.07 -1.65 -2.29 115.31 127.42 1i5i h LEU 112 Ca -0.16 -0.29 0.04 0.00 0.08 0.00 0.00 57.88 57.55 1i5i h LEU 112 Cb 1.16 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.69 1i5i h LEU 112 CO 0.24 0.99 -0.21 1.56 -1.08 0.00 0.00 178.44 179.94 1i5i h GLN 113 N 0.39 -0.28 -0.82 1.13 4.20 -1.71 0.72 115.11 118.75 1i5i h GLN 113 Ca 0.01 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1i5i h GLN 113 Cb 1.07 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 1i5i h GLN 113 CO 0.10 -0.18 0.38 -0.44 -0.67 0.00 0.00 178.83 178.02 1i5i h ASP 114 N -0.29 1.07 0.20 1.46 3.32 -1.84 0.41 116.42 120.76 1i5i h ASP 114 Ca 0.09 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1i5i h ASP 114 Cb 0.41 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1i5i h ASP 114 CO -0.26 0.91 -1.89 -1.14 -1.72 0.00 0.00 179.24 175.15 1i5i n ARG 115 N -4.30 0.65 0.00 3.56 0.63 -0.88 -4.59 116.66 111.73 1i5i n ARG 115 Ca 0.08 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1i5i n ARG 115 Cb 0.15 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1i5i n ARG 115 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1i5i n PHE 116 N -2.47 0.00 -3.71 -0.14 3.01 0.25 -5.01 117.46 109.38 1i5i n PHE 116 Ca -0.10 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1i5i n PHE 116 Cb 0.71 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.22 1i5i n PHE 116 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1i5i n HIS 117 N -0.12 -2.18 -5.14 1.38 8.25 0.14 -4.94 115.22 112.61 1i5i n HIS 117 Ca 0.00 0.89 -0.29 0.00 -0.26 0.00 0.00 57.72 58.07 1i5i n HIS 117 Cb 0.11 -4.45 -0.16 0.00 1.12 0.00 0.00 29.99 26.61 1i5i n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1i5i s LEU 118 N -6.88 2.04 -0.01 2.41 1.43 -1.20 -4.93 118.68 111.54 1i5i s LEU 118 Ca 0.26 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1i5i s LEU 118 Cb -0.13 -1.19 -0.14 0.00 0.03 0.00 0.00 46.19 44.77 1i5i s LEU 118 CO 0.80 0.28 0.22 0.35 0.23 0.00 0.00 176.35 178.23 1i5i n THR 119 N 2.51 0.00 -4.25 5.49 -2.24 -1.26 -2.36 114.28 112.18 1i5i n THR 119 Ca -0.16 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.23 1i5i n THR 119 Cb 0.52 0.34 -0.13 0.00 -2.10 0.00 0.00 70.33 68.96 1i5i n THR 119 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1i5i s GLU 120 N -2.58 0.72 -0.11 -0.78 2.02 -1.26 -1.66 118.70 115.05 1i5i s GLU 120 Ca -0.03 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1i5i s GLU 120 Cb 0.06 -0.66 0.02 0.00 0.10 0.00 0.00 34.13 33.64 1i5i s GLU 120 CO 0.38 0.16 -0.14 0.08 0.02 0.00 0.00 175.26 175.76 1i5i s VAL 121 N -0.80 1.47 -2.62 2.63 1.01 -0.23 -4.90 120.40 116.95 1i5i s VAL 121 Ca -0.01 -0.61 0.22 0.00 0.00 0.00 0.00 61.98 61.57 1i5i s VAL 121 Cb -0.07 -1.36 0.21 0.00 0.00 0.00 0.00 36.38 35.16 1i5i s VAL 121 CO 0.01 0.44 1.21 1.41 0.00 0.00 0.00 175.10 178.17 1i5i n HIS 122 N 4.34 0.08 0.00 5.22 8.25 -1.16 -4.72 115.22 127.24 1i5i n HIS 122 Ca -0.18 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1i5i n HIS 122 Cb 0.51 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1i5i n HIS 122 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1i5i n SER 123 N 1.24 0.00 -3.69 0.41 3.41 -1.25 -3.63 113.62 110.11 1i5i n SER 123 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.62 1i5i n SER 123 Cb 0.55 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.43 1i5i n SER 123 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1i5i s LEU 124 N 0.00 0.55 -0.26 1.04 0.05 -0.60 -0.79 118.68 118.67 1i5i s LEU 124 Ca 0.00 -0.03 0.02 0.00 0.05 0.00 0.00 54.13 54.17 1i5i s LEU 124 Cb 0.00 1.61 0.06 0.00 -2.05 0.00 0.00 46.19 45.81 1i5i s LEU 124 CO 0.00 -0.63 -0.07 0.21 -0.55 0.00 0.00 176.35 175.31 1i5i s ASN 125 N -1.93 4.21 -0.55 1.48 3.04 0.19 -1.50 114.94 119.88 1i5i s ASN 125 Ca -0.06 -1.36 -0.24 0.00 0.04 0.00 0.00 52.86 51.24 1i5i s ASN 125 Cb -0.01 -1.39 0.04 0.00 -1.54 0.00 0.00 41.25 38.35 1i5i s ASN 125 CO -0.02 -0.23 0.93 -0.69 -3.04 0.00 0.00 177.10 174.05 1i5i s VAL 126 N 1.22 4.41 -0.10 -5.21 1.01 -0.48 -1.11 120.40 120.13 1i5i s VAL 126 Ca -0.06 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1i5i s VAL 126 Cb -0.19 -4.53 -0.27 0.00 0.00 0.00 0.00 36.38 31.38 1i5i s VAL 126 CO -0.06 -1.11 0.44 -0.07 0.00 0.00 0.00 175.10 174.30 1i5i h LEU 127 N 10.93 0.45 -7.55 3.92 3.38 -1.45 0.31 115.31 125.30 1i5i h LEU 127 Ca -0.26 -0.93 -0.23 0.00 0.09 0.00 0.00 57.88 56.55 1i5i h LEU 127 Cb 1.07 -0.15 -0.29 0.00 0.09 0.00 0.00 40.66 41.38 1i5i h LEU 127 CO 1.09 1.82 -0.61 -1.61 0.09 0.00 0.00 178.44 179.22 1i5i s GLU 128 N -2.55 0.09 0.17 1.13 2.02 -0.33 -4.87 118.70 114.36 1i5i s GLU 128 Ca -0.21 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1i5i s GLU 128 Cb 0.06 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.24 1i5i s GLU 128 CO 0.78 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.39 1i5i n GLY 129 N 3.56 -2.13 3.84 -1.39 0.00 -1.26 -1.63 105.19 106.18 1i5i n GLY 129 Ca -0.19 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1i5i n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i5i s SER 130 N -5.61 6.04 0.18 1.61 0.01 -1.26 -4.04 113.70 110.62 1i5i s SER 130 Ca 0.00 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.57 1i5i s SER 130 Cb 0.00 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 1i5i s SER 130 CO 0.00 0.29 -0.07 0.26 0.41 0.00 0.00 173.24 174.13 1i5i s TRP 131 N -1.22 1.37 -0.14 2.43 0.52 0.15 -0.54 118.94 121.51 1i5i s TRP 131 Ca 0.23 -0.82 0.01 0.00 0.02 0.00 0.00 56.10 55.54 1i5i s TRP 131 Cb -0.12 -0.73 -0.00 0.00 -1.15 0.00 0.00 33.47 31.46 1i5i s TRP 131 CO 0.14 0.03 -0.17 0.08 0.02 0.00 0.00 176.95 177.06 1i5i s VAL 132 N -3.37 2.56 -0.16 4.03 1.01 0.23 0.26 120.40 124.96 1i5i s VAL 132 Ca 0.21 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1i5i s VAL 132 Cb 0.04 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1i5i s VAL 132 CO 0.03 0.53 0.30 -0.22 0.00 0.00 0.00 175.10 175.74 1i5i s LEU 133 N 0.69 4.24 -0.08 3.92 0.20 0.91 -1.69 118.68 126.87 1i5i s LEU 133 Ca -0.08 0.51 0.01 0.00 0.69 0.00 0.00 54.13 55.25 1i5i s LEU 133 Cb -0.16 -2.39 -0.03 0.00 -0.43 0.00 0.00 46.19 43.19 1i5i s LEU 133 CO 0.02 0.08 -0.08 -0.31 -0.29 0.00 0.00 176.35 175.77 1i5i s TYR 134 N 0.54 2.91 0.51 5.38 1.51 -0.42 -0.56 117.35 127.22 1i5i s TYR 134 Ca 0.17 -0.09 0.27 0.00 -1.01 0.00 0.00 57.07 56.41 1i5i s TYR 134 Cb -0.13 -1.74 1.60 0.00 -0.11 0.00 0.00 41.96 41.58 1i5i s TYR 134 CO 0.04 0.23 2.16 1.49 -1.11 0.00 0.00 175.55 178.36 1i5i h GLU 135 N 5.55 0.00 -4.93 -0.62 4.81 -1.08 0.14 114.58 118.46 1i5i h GLU 135 Ca -0.44 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.48 1i5i h GLU 135 Cb 1.18 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.39 1i5i h GLU 135 CO 0.54 0.06 -0.72 -1.64 -0.73 0.00 0.00 179.01 176.52 1i5i s MET 136 N -4.46 0.91 0.73 1.92 -1.94 -0.63 -2.57 119.30 113.25 1i5i s MET 136 Ca -0.04 -1.28 -0.16 0.00 -1.71 0.00 0.00 55.69 52.51 1i5i s MET 136 Cb 0.14 -0.50 0.02 0.00 2.01 0.00 0.00 34.83 36.50 1i5i s MET 136 CO 0.58 0.06 1.00 -2.30 -0.01 0.00 0.00 175.02 174.35 1i5i n PRO 137 N 0.22 0.48 -3.02 2.03 -0.02 -1.26 -2.97 135.00 130.47 1i5i n PRO 137 Ca -0.14 0.22 -0.20 0.00 -2.02 0.00 0.00 63.50 61.36 1i5i n PRO 137 Cb 0.59 -2.26 0.04 0.00 -0.02 0.00 0.00 33.50 31.85 1i5i n PRO 137 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i5i n SER 138 N -1.87 -5.75 -3.49 2.55 7.64 0.22 -3.33 113.62 109.58 1i5i n SER 138 Ca 0.13 -0.29 -0.19 0.00 1.01 0.00 0.00 58.87 59.53 1i5i n SER 138 Cb 0.49 -4.55 0.06 0.00 -1.01 0.00 0.00 64.21 59.21 1i5i n SER 138 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1i5i n TYR 139 N -4.45 -2.14 -4.48 1.43 4.01 -1.21 -5.02 117.16 105.29 1i5i n TYR 139 Ca -0.09 0.84 -0.23 0.00 -0.16 0.00 0.00 57.90 58.26 1i5i n TYR 139 Cb 0.60 -4.47 -0.10 0.00 -0.31 0.00 0.00 39.34 35.06 1i5i n TYR 139 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1i5i s ARG 140 N -5.37 1.68 1.34 -0.72 0.52 -1.16 -5.04 118.95 110.21 1i5i s ARG 140 Ca 0.16 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 1i5i s ARG 140 Cb -0.03 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 34.12 1i5i s ARG 140 CO 0.77 0.02 0.00 0.41 0.02 0.00 0.00 175.30 176.53 1i5i n GLY 141 N -0.70 -1.69 3.77 -3.53 0.00 -1.26 -1.61 105.19 100.17 1i5i n GLY 141 Ca -0.05 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1i5i n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i5i s ARG 142 N 0.00 4.25 -0.07 1.61 0.52 -1.26 -4.68 118.95 119.31 1i5i s ARG 142 Ca 0.00 2.25 -0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1i5i s ARG 142 Cb 0.00 -3.00 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 1i5i s ARG 142 CO 0.00 -0.29 -0.04 -0.65 0.02 0.00 0.00 175.30 174.33 1i5i s GLN 143 N -1.92 2.83 -0.06 3.54 -0.21 -1.26 -1.01 119.66 121.57 1i5i s GLN 143 Ca 0.51 -0.50 -0.00 0.00 0.02 0.00 0.00 55.36 55.39 1i5i s GLN 143 Cb -0.40 -2.66 0.03 0.00 1.00 0.00 0.00 33.01 30.97 1i5i s GLN 143 CO 0.53 0.68 -0.02 0.71 -2.12 0.00 0.00 175.29 175.07 1i5i s TYR 144 N -0.83 0.74 -0.09 0.91 2.02 0.28 -4.12 117.35 116.26 1i5i s TYR 144 Ca 0.13 -0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.32 1i5i s TYR 144 Cb -0.11 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 1i5i s TYR 144 CO 0.02 -0.27 1.19 -1.17 -1.57 0.00 0.00 175.55 173.74 1i5i s LEU 145 N 1.48 4.25 -0.36 -1.29 2.96 -1.26 -0.06 118.68 124.39 1i5i s LEU 145 Ca -0.02 1.75 -0.08 0.00 -0.22 0.00 0.00 54.13 55.55 1i5i s LEU 145 Cb -0.13 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.04 1i5i s LEU 145 CO -0.03 -0.61 0.16 -0.76 -1.32 0.00 0.00 176.35 173.79 1i5i s LEU 146 N 2.48 4.57 0.30 -0.68 1.43 0.14 -4.96 118.68 121.98 1i5i s LEU 146 Ca 0.55 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 1i5i s LEU 146 Cb -0.23 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1i5i s LEU 146 CO 0.20 -0.37 0.49 -0.13 0.23 0.00 0.00 176.35 176.76 1i5i s ARG 147 N 1.46 3.49 0.26 1.70 0.52 -1.26 -0.67 118.95 124.44 1i5i s ARG 147 Ca 0.00 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.50 1i5i s ARG 147 Cb -0.20 -2.73 -0.14 0.00 0.52 0.00 0.00 34.95 32.40 1i5i s ARG 147 CO 0.04 0.24 1.21 -2.30 0.02 0.00 0.00 175.30 174.51 1i5i n PRO 148 N -1.53 1.66 -0.36 3.54 -0.02 -1.26 -4.74 135.00 132.29 1i5i n PRO 148 Ca -0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1i5i n PRO 148 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1i5i n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i5i n GLY 149 N 1.58 0.73 3.72 -1.23 0.00 0.11 -4.97 105.19 105.12 1i5i n GLY 149 Ca 0.10 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1i5i n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i5i s GLU 150 N -1.51 3.70 -0.53 1.61 2.02 -1.26 -1.39 118.70 121.34 1i5i s GLU 150 Ca 0.00 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.74 1i5i s GLU 150 Cb 0.00 -3.16 0.15 0.00 0.10 0.00 0.00 34.13 31.22 1i5i s GLU 150 CO 0.00 0.48 0.33 0.71 0.02 0.00 0.00 175.26 176.80 1i5i s TYR 151 N -0.20 2.55 -1.00 1.61 1.51 -0.56 -4.97 117.35 116.29 1i5i s TYR 151 Ca 0.08 -2.82 0.13 0.00 -1.01 0.00 0.00 57.07 53.45 1i5i s TYR 151 Cb -0.12 -2.17 0.58 0.00 -0.11 0.00 0.00 41.96 40.14 1i5i s TYR 151 CO 0.01 -0.71 1.43 0.54 -1.11 0.00 0.00 175.55 175.71 1i5i n ARG 152 N 2.90 0.00 -3.50 -0.62 5.12 -1.26 -1.56 116.66 117.73 1i5i n ARG 152 Ca 0.14 0.27 -0.13 0.00 -1.93 0.00 0.00 57.85 56.20 1i5i n ARG 152 Cb 0.36 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 1i5i n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1i5i s ARG 153 N -3.00 0.96 0.50 5.56 1.70 -1.25 -0.41 118.95 123.01 1i5i s ARG 153 Ca 0.06 -0.05 0.23 0.00 -0.47 0.00 0.00 55.73 55.51 1i5i s ARG 153 Cb 0.09 0.45 1.32 0.00 -0.57 0.00 0.00 34.95 36.23 1i5i s ARG 153 CO 0.25 -0.36 1.96 0.10 -1.08 0.00 0.00 175.30 176.17 1i5i h TYR 154 N 2.46 0.13 -0.07 5.89 -0.00 -1.85 0.12 116.97 123.66 1i5i h TYR 154 Ca -0.26 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.50 1i5i h TYR 154 Cb 1.21 -0.04 -0.00 0.00 0.00 0.00 0.00 36.73 37.89 1i5i h TYR 154 CO 0.30 0.05 0.08 -0.07 -0.00 0.00 0.00 178.16 178.52 1i5i h LEU 155 N 0.11 0.00 -1.22 0.10 3.38 -1.92 -1.92 115.31 113.84 1i5i h LEU 155 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 1i5i h LEU 155 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1i5i h LEU 155 CO -0.04 0.00 -0.11 0.44 0.09 0.00 0.00 178.44 178.82 1i5i h ASP 156 N 0.00 0.00 -0.40 -0.43 3.32 -1.10 -2.61 116.42 115.20 1i5i h ASP 156 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1i5i h ASP 156 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1i5i h ASP 156 CO -0.00 0.11 0.00 -2.67 -1.72 0.00 0.00 179.24 174.96 1i5i n TRP 157 N -3.25 1.40 -1.12 4.55 2.14 -0.73 -4.95 117.44 115.49 1i5i n TRP 157 Ca 0.00 -0.80 -0.04 0.00 2.07 0.00 0.00 57.50 58.74 1i5i n TRP 157 Cb 0.38 -0.38 -0.02 0.00 -0.81 0.00 0.00 31.31 30.48 1i5i n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1i5i n GLY 158 N 0.03 0.70 3.97 -1.67 0.00 -0.98 -4.72 105.19 102.52 1i5i n GLY 158 Ca 0.24 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1i5i n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i5i s ALA 159 N -2.14 3.87 -0.80 4.61 0.00 -1.22 -5.01 121.76 121.07 1i5i s ALA 159 Ca 0.00 -1.25 0.20 0.00 0.00 0.00 0.00 51.96 50.91 1i5i s ALA 159 Cb 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 23.12 20.80 1i5i s ALA 159 CO 0.00 -0.63 0.79 0.00 0.00 0.00 0.00 175.76 175.92 1i5i n MET 160 N -2.26 0.36 -3.97 0.00 3.85 -1.26 -4.47 117.12 109.37 1i5i n MET 160 Ca 0.06 -0.03 -0.09 0.00 -1.00 0.00 0.00 57.70 56.64 1i5i n MET 160 Cb 0.59 -1.46 -0.04 0.00 -1.05 0.00 0.00 33.22 31.26 1i5i n MET 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1i5i s ASN 161 N -3.16 -0.05 0.00 3.17 2.20 -1.26 -5.04 114.94 110.80 1i5i s ASN 161 Ca 0.05 -0.92 0.18 0.00 -0.94 0.00 0.00 52.86 51.23 1i5i s ASN 161 Cb 0.15 0.63 0.63 0.00 -2.00 0.00 0.00 41.25 40.66 1i5i s ASN 161 CO 0.84 -1.22 1.47 0.00 -2.94 0.00 0.00 177.10 175.25 1i5i n ALA 162 N -0.42 2.50 -1.94 3.54 0.00 -1.26 -4.90 120.51 118.03 1i5i n ALA 162 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1i5i n ALA 162 Cb 0.61 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 1i5i n ALA 162 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1i5i s LYS 163 N -1.72 4.20 -0.12 0.00 1.02 -1.26 -1.07 119.74 120.79 1i5i s LYS 163 Ca 0.30 2.32 -0.03 0.00 0.02 0.00 0.00 55.97 58.57 1i5i s LYS 163 Cb 0.16 -3.60 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1i5i s LYS 163 CO 0.23 -0.73 0.05 0.08 -0.92 0.00 0.00 175.35 174.07 1i5i s VAL 164 N 2.65 0.12 -0.22 3.17 1.01 -0.66 -4.59 120.40 121.88 1i5i s VAL 164 Ca 0.74 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.68 1i5i s VAL 164 Cb -0.39 -0.55 -0.20 0.00 0.00 0.00 0.00 36.38 35.23 1i5i s VAL 164 CO 0.32 -0.05 -0.06 0.61 0.00 0.00 0.00 175.10 175.92 1i5i n GLY 165 N 5.21 -0.46 3.41 4.51 0.00 0.49 -4.58 105.19 113.77 1i5i n GLY 165 Ca -0.06 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1i5i n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i5i s SER 166 N -6.56 -0.24 -0.01 1.61 1.04 -1.10 -2.01 113.70 106.43 1i5i s SER 166 Ca -0.30 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1i5i s SER 166 Cb 0.08 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1i5i s SER 166 CO 0.66 -0.95 -0.02 -0.76 0.98 0.00 0.00 173.24 173.15 1i5i s LEU 167 N -2.84 1.88 -0.03 2.42 1.43 0.57 -1.30 118.68 120.80 1i5i s LEU 167 Ca 0.07 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1i5i s LEU 167 Cb 0.01 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1i5i s LEU 167 CO -0.07 0.01 -0.02 -0.60 0.23 0.00 0.00 176.35 175.90 1i5i s ARG 168 N 0.11 0.50 0.18 1.70 3.52 -0.68 0.40 118.95 124.67 1i5i s ARG 168 Ca -0.01 -0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.29 1i5i s ARG 168 Cb -0.03 -0.60 -0.08 0.00 -1.56 0.00 0.00 34.95 32.68 1i5i s ARG 168 CO -0.00 -0.10 1.27 1.03 -0.81 0.00 0.00 175.30 176.68 1i5i s ARG 169 N 0.92 4.42 -0.80 5.12 0.52 -1.26 -0.60 118.95 127.27 1i5i s ARG 169 Ca -0.10 1.98 -0.25 0.00 -0.52 0.00 0.00 55.73 56.83 1i5i s ARG 169 Cb -0.14 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.09 1i5i s ARG 169 CO -0.01 -0.21 1.78 0.08 0.02 0.00 0.00 175.30 176.96 1i5i s VAL 170 N 0.19 3.51 0.05 3.52 1.01 0.30 -4.88 120.40 124.10 1i5i s VAL 170 Ca 0.56 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.47 1i5i s VAL 170 Cb -0.35 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 1i5i s VAL 170 CO 0.37 -1.16 -0.19 -0.04 0.00 0.00 0.00 175.10 174.07 1i5i s MET 171 N 6.62 1.24 0.88 2.72 -1.94 -1.26 -4.65 119.30 122.91 1i5i s MET 171 Ca 0.62 -0.91 -0.14 0.00 -1.71 0.00 0.00 55.69 53.56 1i5i s MET 171 Cb -0.08 -1.33 0.13 0.00 2.01 0.00 0.00 34.83 35.56 1i5i s MET 171 CO 0.07 0.34 1.24 0.34 -0.01 0.00 0.00 175.02 177.00 1i5i s ASP 172 N -1.23 3.89 0.00 3.03 -1.08 -1.26 -5.05 116.67 114.98 1i5i s ASP 172 Ca 0.06 0.56 0.08 0.00 -0.52 0.00 0.00 52.55 52.73 1i5i s ASP 172 Cb -0.09 -0.86 0.47 0.00 -1.46 0.00 0.00 42.92 40.99 1i5i s ASP 172 CO 0.02 -2.27 0.93 0.49 0.52 0.00 0.00 175.17 174.86