#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihk s LYS 3 N 0.00 2.89 -0.07 -2.82 2.47 -1.26 -0.39 119.74 120.55 3ihk s LYS 3 Ca 0.00 -0.93 0.03 0.00 -1.56 0.00 0.00 55.97 53.51 3ihk s LYS 3 Cb 0.00 -2.91 0.01 0.00 -1.46 0.00 0.00 37.83 33.47 3ihk s LYS 3 CO 0.00 -0.35 -0.16 0.08 0.16 0.00 0.00 175.35 175.07 3ihk s VAL 4 N 1.32 1.46 -0.14 4.02 1.01 0.15 -1.03 120.40 127.19 3ihk s VAL 4 Ca 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3ihk s VAL 4 Cb -0.16 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3ihk s VAL 4 CO -0.06 0.43 -0.03 0.00 0.00 0.00 0.00 175.10 175.43 3ihk s ALA 5 N 0.47 3.04 -0.17 5.51 0.00 -0.63 -1.70 121.76 128.28 3ihk s ALA 5 Ca -0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3ihk s ALA 5 Cb -0.16 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 3ihk s ALA 5 CO 0.05 0.29 -0.13 -0.51 0.00 0.00 0.00 175.76 175.46 3ihk s LEU 6 N 0.11 2.57 -0.54 0.00 1.02 -0.45 -0.53 118.68 120.86 3ihk s LEU 6 Ca -0.01 -0.46 -0.15 0.00 0.02 0.00 0.00 54.13 53.53 3ihk s LEU 6 Cb -0.14 -1.60 0.13 0.00 0.02 0.00 0.00 46.19 44.60 3ihk s LEU 6 CO 0.03 0.06 0.49 -0.36 0.02 0.00 0.00 176.35 176.59 3ihk s PHE 7 N 1.00 3.28 0.60 0.29 0.40 -0.35 0.60 117.98 123.80 3ihk s PHE 7 Ca -0.01 -1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 54.84 3ihk s PHE 7 Cb -0.15 -3.77 0.14 0.00 0.51 0.00 0.00 43.02 39.75 3ihk s PHE 7 CO -0.02 -1.02 0.73 0.45 0.70 0.00 0.00 175.22 176.06 3ihk n SER 8 N 5.17 -0.40 -0.80 1.36 2.88 -0.21 -1.69 113.62 119.93 3ihk n SER 8 Ca -0.12 -1.17 0.02 0.00 -1.33 0.00 0.00 58.87 56.26 3ihk n SER 8 Cb 0.40 -0.58 0.10 0.00 -0.75 0.00 0.00 64.21 63.38 3ihk n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ihk n GLY 9 N -0.46 1.72 0.00 0.46 0.00 -1.26 -3.99 105.19 101.66 3ihk n GLY 9 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3ihk n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihk n GLY 10 N 0.20 2.02 3.71 -0.02 0.00 -0.32 -4.95 105.19 105.83 3ihk n GLY 10 Ca 0.07 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 3ihk n GLY 10 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ihk n ASP 11 N -2.60 3.58 -2.31 1.61 2.03 -0.79 -4.77 116.55 113.29 3ihk n ASP 11 Ca 0.00 1.10 -0.22 0.00 0.52 0.00 0.00 54.79 56.19 3ihk n ASP 11 Cb 0.00 -1.53 0.02 0.00 -0.72 0.00 0.00 41.12 38.89 3ihk n ASP 11 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ihk n LEU 12 N 3.06 4.29 -0.02 -2.67 4.77 -1.26 -3.49 117.00 121.68 3ihk n LEU 12 Ca 0.13 -4.70 0.14 0.00 -0.03 0.00 0.00 56.01 51.56 3ihk n LEU 12 Cb 0.34 -0.26 0.62 0.00 -2.33 0.00 0.00 43.42 41.79 3ihk n LEU 12 CO 0.64 2.02 0.91 0.35 -1.33 0.00 0.00 177.39 179.98 3ihk n THR 13 N -0.57 0.00 -4.43 -5.08 -2.24 -1.26 -4.74 114.28 95.96 3ihk n THR 13 Ca 0.36 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.91 3ihk n THR 13 Cb 0.83 -0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.54 3ihk n THR 13 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ihk s TYR 14 N -2.79 1.11 -0.25 4.78 6.14 -1.26 -4.99 117.35 120.08 3ihk s TYR 14 Ca 0.20 -0.33 -0.27 0.00 0.64 0.00 0.00 57.07 57.31 3ihk s TYR 14 Cb 0.19 -0.82 0.14 0.00 0.42 0.00 0.00 41.96 41.90 3ihk s TYR 14 CO 0.52 -0.17 1.14 -0.59 0.64 0.00 0.00 175.55 177.08 3ihk s PHE 15 N 0.47 -0.32 0.53 4.97 -0.12 -1.26 -4.68 117.98 117.58 3ihk s PHE 15 Ca -0.08 0.69 0.08 0.00 -0.05 0.00 0.00 56.93 57.57 3ihk s PHE 15 Cb -0.12 0.43 0.06 0.00 -0.63 0.00 0.00 43.02 42.76 3ihk s PHE 15 CO 0.02 -0.20 0.73 0.99 -0.05 0.00 0.00 175.22 176.71 3ihk s THR 16 N -0.32 2.43 0.00 -4.49 2.01 -1.26 -5.05 115.64 108.95 3ihk s THR 16 Ca 0.03 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.07 3ihk s THR 16 Cb -0.03 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.01 3ihk s THR 16 CO -0.06 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.41 3ihk n ARG 17 N -2.16 4.16 -2.32 4.92 1.74 -1.26 -4.93 116.66 116.81 3ihk n ARG 17 Ca 0.13 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 3ihk n ARG 17 Cb 0.61 -0.60 -0.03 0.00 -1.02 0.00 0.00 32.46 31.42 3ihk n ARG 17 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3ihk s ASP 18 N -1.14 5.91 0.02 0.55 3.68 -1.26 -4.88 116.67 119.55 3ihk s ASP 18 Ca 0.00 -1.97 -0.08 0.00 2.13 0.00 0.00 52.55 52.63 3ihk s ASP 18 Cb 0.00 -2.58 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 3ihk s ASP 18 CO 0.00 -2.14 0.16 -0.36 0.13 0.00 0.00 175.17 172.96 3ihk s PHE 19 N 7.68 0.06 -0.55 -5.34 0.40 -1.26 -4.98 117.98 113.98 3ihk s PHE 19 Ca 0.61 -0.23 0.23 0.00 -0.60 0.00 0.00 56.93 56.94 3ihk s PHE 19 Cb 0.01 -0.05 0.14 0.00 0.51 0.00 0.00 43.02 43.64 3ihk s PHE 19 CO 0.09 -0.37 1.12 -0.25 0.70 0.00 0.00 175.22 176.52 3ihk n ASP 20 N 1.00 0.66 -3.67 1.36 8.00 -0.19 -4.86 116.55 118.84 3ihk n ASP 20 Ca -0.20 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.20 3ihk n ASP 20 Cb 0.57 0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 42.11 3ihk n ASP 20 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3ihk s TYR 21 N -3.22 -0.68 -0.20 1.24 6.14 -0.98 -4.99 117.35 114.67 3ihk s TYR 21 Ca 0.04 1.36 -0.06 0.00 0.64 0.00 0.00 57.07 59.05 3ihk s TYR 21 Cb 0.13 0.24 -0.03 0.00 0.42 0.00 0.00 41.96 42.72 3ihk s TYR 21 CO 0.77 -0.41 0.03 -0.06 0.64 0.00 0.00 175.55 176.51 3ihk s PHE 22 N 2.16 3.11 -0.13 4.97 0.40 -1.26 -1.61 117.98 125.62 3ihk s PHE 22 Ca -0.04 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 3ihk s PHE 22 Cb -0.11 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 3ihk s PHE 22 CO -0.12 -0.11 -0.14 0.08 0.70 0.00 0.00 175.22 175.64 3ihk s VAL 23 N 0.82 2.99 -0.26 -0.44 1.01 0.31 -2.07 120.40 122.76 3ihk s VAL 23 Ca 0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3ihk s VAL 23 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 3ihk s VAL 23 CO 0.02 0.52 0.07 -0.83 0.00 0.00 0.00 175.10 174.89 3ihk s GLY 24 N 0.38 1.77 -0.44 4.51 0.00 0.20 -1.21 107.32 112.53 3ihk s GLY 24 Ca -0.11 -1.23 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 3ihk s GLY 24 CO 0.06 0.57 0.35 -0.42 0.00 0.00 0.00 173.10 173.65 3ihk s ILE 25 N 1.58 5.24 0.00 0.90 1.01 -0.68 -1.47 121.20 127.78 3ihk s ILE 25 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3ihk s ILE 25 Cb -0.16 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3ihk s ILE 25 CO 0.03 -0.44 0.00 -0.67 0.00 0.00 0.00 174.94 173.86 3ihk n ASP 26 N 5.20 0.00 0.33 3.58 2.03 -0.76 -0.22 116.55 126.72 3ihk n ASP 26 Ca -0.12 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.41 3ihk n ASP 26 Cb 0.45 0.00 1.13 0.00 -0.72 0.00 0.00 41.12 41.98 3ihk n ASP 26 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3ihk h LYS 27 N 0.00 0.00 0.00 -0.67 3.64 -1.89 0.85 116.57 118.50 3ihk h LYS 27 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3ihk h LYS 27 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ihk h LYS 27 CO 0.00 0.00 -0.04 0.78 -2.27 0.00 0.00 179.45 177.92 3ihk h GLY 28 N 0.00 0.00 0.58 5.01 0.00 -0.71 -2.95 103.07 105.00 3ihk h GLY 28 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ihk h GLY 28 CO 0.00 0.00 -0.23 1.76 0.00 0.00 0.00 176.54 178.07 3ihk h SER 29 N 0.00 -0.54 -0.80 0.19 0.02 -0.98 -2.95 113.55 108.49 3ihk h SER 29 Ca -0.00 -0.06 0.18 0.00 -0.84 0.00 0.00 61.79 61.07 3ihk h SER 29 Cb 0.39 0.14 -0.15 0.00 0.14 0.00 0.00 62.40 62.93 3ihk h SER 29 CO 0.01 -0.13 -0.06 0.28 -1.14 0.00 0.00 176.83 175.78 3ihk h SER 30 N -1.06 -0.50 -0.08 3.07 0.02 -1.65 -0.13 113.55 113.22 3ihk h SER 30 Ca -0.07 0.22 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 3ihk h SER 30 Cb 0.57 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 63.46 3ihk h SER 30 CO 0.11 -0.23 -0.40 0.15 -1.14 0.00 0.00 176.83 175.31 3ihk h PHE 31 N 0.06 -1.15 -0.42 3.45 3.57 -1.56 0.62 116.94 121.51 3ihk h PHE 31 Ca 0.43 0.04 0.08 0.00 3.53 0.00 0.00 57.97 62.05 3ihk h PHE 31 Cb 0.75 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.92 3ihk h PHE 31 CO -0.50 -0.47 -0.10 -0.07 -2.23 0.00 0.00 178.31 174.94 3ihk h LEU 32 N -0.51 -0.37 0.36 0.59 4.07 -0.86 0.23 115.31 118.83 3ihk h LEU 32 Ca 0.07 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 3ihk h LEU 32 Cb 0.63 0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3ihk h LEU 32 CO -0.36 -0.13 -0.19 -0.07 -1.08 0.00 0.00 178.44 176.61 3ihk h LEU 33 N 0.01 -0.47 -1.56 1.67 3.38 -0.89 -0.94 115.31 116.51 3ihk h LEU 33 Ca 0.20 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.30 3ihk h LEU 33 Cb 0.31 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 3ihk h LEU 33 CO -0.42 -0.32 0.46 0.11 0.09 0.00 0.00 178.44 178.36 3ihk h LYS 34 N -0.52 0.47 -0.87 1.13 1.57 -0.47 0.34 116.57 118.23 3ihk h LYS 34 Ca -0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3ihk h LYS 34 Cb 0.41 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.53 3ihk h LYS 34 CO 0.07 0.31 0.17 0.09 -0.57 0.00 0.00 179.45 179.51 3ihk n ASN 35 N -4.48 3.57 -3.84 0.86 3.02 0.79 -4.92 115.26 110.26 3ihk n ASN 35 Ca 0.12 -2.70 -0.26 0.00 -0.03 0.00 0.00 54.58 51.71 3ihk n ASN 35 Cb 0.41 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.91 3ihk n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ihk n GLN 36 N 0.00 -0.72 -4.32 3.52 0.00 0.11 -4.94 117.38 111.03 3ihk n GLN 36 Ca 0.24 -0.04 -0.24 0.00 0.00 0.00 0.00 57.00 56.95 3ihk n GLN 36 Cb 0.96 -1.82 -0.12 0.00 0.00 0.00 0.00 30.24 29.26 3ihk n GLN 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ihk s LEU 37 N -6.30 2.36 0.16 2.61 1.02 -0.41 -5.04 118.68 113.08 3ihk s LEU 37 Ca 0.17 -0.77 -0.34 0.00 0.02 0.00 0.00 54.13 53.21 3ihk s LEU 37 Cb -0.09 -0.92 -0.15 0.00 0.02 0.00 0.00 46.19 45.04 3ihk s LEU 37 CO 0.66 0.04 1.39 -2.65 0.02 0.00 0.00 176.35 175.81 3ihk n PRO 38 N 0.73 1.63 -3.55 1.29 -0.02 -1.26 -4.38 135.00 129.45 3ihk n PRO 38 Ca -0.17 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3ihk n PRO 38 Cb 0.55 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 3ihk n PRO 38 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ihk n LEU 39 N 2.59 3.91 -0.12 2.45 7.94 -1.26 -4.51 117.00 128.00 3ihk n LEU 39 Ca 0.16 -5.31 -0.04 0.00 -1.11 0.00 0.00 56.01 49.70 3ihk n LEU 39 Cb 0.26 -0.83 0.16 0.00 0.53 0.00 0.00 43.42 43.54 3ihk n LEU 39 CO 0.62 1.86 0.90 0.44 -1.11 0.00 0.00 177.39 180.10 3ihk h ASP 40 N 4.92 0.78 -3.45 1.96 3.32 -1.78 -2.18 116.42 120.00 3ihk h ASP 40 Ca 0.18 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3ihk h ASP 40 Cb 0.70 -0.21 -0.35 0.00 0.22 0.00 0.00 39.33 39.70 3ihk h ASP 40 CO 0.86 0.83 -0.72 -0.22 -1.72 0.00 0.00 179.24 178.27 3ihk s LEU 41 N -9.21 0.79 -0.37 1.55 2.96 -1.06 -2.17 118.68 111.17 3ihk s LEU 41 Ca -0.10 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3ihk s LEU 41 Cb 0.15 -0.04 0.10 0.00 0.50 0.00 0.00 46.19 46.91 3ihk s LEU 41 CO 0.81 -0.16 0.08 0.00 -1.32 0.00 0.00 176.35 175.76 3ihk s ALA 42 N 1.37 2.96 0.17 5.97 0.00 0.10 0.62 121.76 132.96 3ihk s ALA 42 Ca -0.05 -2.64 0.11 0.00 0.00 0.00 0.00 51.96 49.37 3ihk s ALA 42 Cb -0.13 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 3ihk s ALA 42 CO -0.03 -1.74 -0.22 -1.50 0.00 0.00 0.00 175.76 172.27 3ihk s ILE 43 N 0.75 2.53 -5.00 0.00 2.07 -0.54 -1.58 121.20 119.42 3ihk s ILE 43 Ca 0.12 -1.85 0.00 0.00 -1.41 0.00 0.00 60.65 57.50 3ihk s ILE 43 Cb -0.20 -2.20 0.00 0.00 0.13 0.00 0.00 42.46 40.19 3ihk s ILE 43 CO -0.07 -0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 3ihk n GLY 44 N 0.42 0.59 0.79 1.50 0.00 -0.79 -1.82 105.19 105.88 3ihk n GLY 44 Ca -0.14 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.15 3ihk n GLY 44 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ihk n ASP 45 N 3.00 2.66 -4.17 1.61 5.75 -1.26 -1.80 116.55 122.33 3ihk n ASP 45 Ca 0.00 -1.81 -0.30 0.00 -0.01 0.00 0.00 54.79 52.67 3ihk n ASP 45 Cb 0.00 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3ihk n ASP 45 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3ihk n PHE 46 N 1.09 -1.46 1.10 2.11 3.72 -1.26 -4.79 117.46 117.97 3ihk n PHE 46 Ca 0.12 0.69 0.12 0.00 -0.05 0.00 0.00 57.45 58.33 3ihk n PHE 46 Cb 0.49 -3.17 0.15 0.00 -0.94 0.00 0.00 39.48 36.01 3ihk n PHE 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3ihk n ASP 47 N -2.89 2.09 -0.81 4.37 5.75 -1.26 -3.92 116.55 119.88 3ihk n ASP 47 Ca -0.26 -1.55 0.08 0.00 -0.01 0.00 0.00 54.79 53.04 3ihk n ASP 47 Cb 0.66 0.23 0.16 0.00 -1.03 0.00 0.00 41.12 41.14 3ihk n ASP 47 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3ihk n SER 48 N 0.30 2.96 -3.95 -1.12 7.64 -1.26 -4.94 113.62 113.24 3ihk n SER 48 Ca 0.12 -1.88 -0.20 0.00 1.01 0.00 0.00 58.87 57.93 3ihk n SER 48 Cb 0.47 -0.21 -0.16 0.00 -1.01 0.00 0.00 64.21 63.31 3ihk n SER 48 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3ihk s VAL 49 N -1.11 0.64 0.93 0.44 -7.23 -1.25 -4.65 120.40 108.16 3ihk s VAL 49 Ca 0.28 -0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 60.10 3ihk s VAL 49 Cb 0.16 -0.61 0.15 0.00 0.56 0.00 0.00 36.38 36.64 3ihk s VAL 49 CO 0.21 0.22 1.12 -0.94 -0.31 0.00 0.00 175.10 175.41 3ihk s SER 50 N 0.48 2.90 0.04 4.85 1.04 -1.26 -4.75 113.70 116.99 3ihk s SER 50 Ca -0.07 2.04 -0.25 0.00 0.48 0.00 0.00 55.95 58.15 3ihk s SER 50 Cb -0.11 -2.52 -0.17 0.00 0.10 0.00 0.00 66.02 63.32 3ihk s SER 50 CO 0.00 -3.09 1.49 0.00 0.98 0.00 0.00 173.24 172.62 3ihk h ALA 51 N -1.86 -0.11 -0.51 5.32 0.00 -1.97 0.86 119.26 120.99 3ihk h ALA 51 Ca -0.46 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 54.47 3ihk h ALA 51 Cb 1.27 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3ihk h ALA 51 CO 0.44 -0.45 0.42 1.49 0.00 0.00 0.00 179.25 181.15 3ihk h GLU 52 N -0.34 0.00 0.09 0.00 4.22 -2.01 0.44 114.58 116.98 3ihk h GLU 52 Ca -0.01 0.00 -0.29 0.00 0.08 0.00 0.00 59.36 59.14 3ihk h GLU 52 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3ihk h GLU 52 CO 0.02 0.00 -1.46 0.93 -2.18 0.00 0.00 179.01 176.32 3ihk h GLU 53 N 0.00 0.18 0.00 1.92 5.08 -1.81 -3.27 114.58 116.69 3ihk h GLU 53 Ca 0.24 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ihk h GLU 53 Cb 1.07 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ihk h GLU 53 CO -0.00 1.03 0.00 0.35 -1.00 0.00 0.00 179.01 179.39 3ihk h PHE 54 N 0.05 0.00 -0.33 4.33 3.57 0.23 -2.47 116.94 122.33 3ihk h PHE 54 Ca -0.21 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.17 3ihk h PHE 54 Cb 1.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 3ihk h PHE 54 CO 0.05 0.00 -0.27 -0.22 -2.23 0.00 0.00 178.31 175.64 3ihk h LYS 55 N 0.00 0.77 -0.56 1.11 1.63 -1.27 0.64 116.57 118.89 3ihk h LYS 55 Ca 0.00 -0.38 -0.02 0.00 -0.85 0.00 0.00 60.65 59.40 3ihk h LYS 55 Cb 0.29 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 3ihk h LYS 55 CO 0.00 1.00 0.28 1.96 -3.45 0.00 0.00 179.45 179.24 3ihk h GLN 56 N 0.54 0.81 0.78 1.90 1.08 -1.60 -2.61 115.11 116.00 3ihk h GLN 56 Ca 0.06 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 3ihk h GLN 56 Cb 0.83 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 28.12 3ihk h GLN 56 CO 0.07 0.65 -0.38 0.82 -0.95 0.00 0.00 178.83 179.05 3ihk h ILE 57 N 0.76 0.00 -0.78 2.54 1.08 -1.38 -1.54 117.51 118.19 3ihk h ILE 57 Ca 0.19 -0.09 0.23 0.00 -0.39 0.00 0.00 64.86 64.80 3ihk h ILE 57 Cb 0.11 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.83 3ihk h ILE 57 CO -0.03 0.00 0.94 0.50 -0.69 0.00 0.00 178.15 178.87 3ihk h LYS 58 N -1.14 0.00 0.00 2.37 3.64 -0.85 -1.29 116.57 119.30 3ihk h LYS 58 Ca -0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3ihk h LYS 58 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3ihk h LYS 58 CO 0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 179.45 177.27 3ihk n ALA 59 N -2.25 0.08 0.46 5.00 0.00 -0.99 -4.51 120.51 118.30 3ihk n ALA 59 Ca 0.17 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.46 3ihk n ALA 59 Cb 1.19 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.88 3ihk n ALA 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ihk n LYS 60 N -2.63 0.18 -2.74 0.00 4.01 -0.60 -4.76 118.16 111.62 3ihk n LYS 60 Ca -0.01 0.12 -0.41 0.00 -0.51 0.00 0.00 58.31 57.50 3ihk n LYS 60 Cb 0.04 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.02 3ihk n LYS 60 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ihk s ALA 61 N -2.33 3.25 0.20 7.82 0.00 -0.50 -4.72 121.76 125.48 3ihk s ALA 61 Ca 0.10 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3ihk s ALA 61 Cb 0.06 -3.27 0.12 0.00 0.00 0.00 0.00 23.12 20.03 3ihk s ALA 61 CO 0.12 -0.02 1.47 0.87 0.00 0.00 0.00 175.76 178.19 3ihk h LYS 62 N 5.57 0.27 -2.96 0.00 1.79 -1.53 -3.45 116.57 116.26 3ihk h LYS 62 Ca -0.43 -0.22 -0.16 0.00 -2.18 0.00 0.00 60.65 57.66 3ihk h LYS 62 Cb 1.21 0.05 -0.27 0.00 -1.58 0.00 0.00 32.23 31.64 3ihk h LYS 62 CO 0.72 0.88 -0.39 0.21 -1.08 0.00 0.00 179.45 179.79 3ihk s LYS 63 N -3.55 0.32 -0.02 3.15 2.47 -0.92 -5.00 119.74 116.19 3ihk s LYS 63 Ca -0.04 0.50 0.05 0.00 -1.56 0.00 0.00 55.97 54.92 3ihk s LYS 63 Cb 0.11 0.07 -0.01 0.00 -1.46 0.00 0.00 37.83 36.53 3ihk s LYS 63 CO 0.82 -0.09 -0.17 -1.17 0.16 0.00 0.00 175.35 174.90 3ihk s LEU 64 N 0.62 2.01 0.32 5.43 0.20 -1.26 -0.72 118.68 125.29 3ihk s LEU 64 Ca -0.04 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.50 3ihk s LEU 64 Cb -0.05 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.79 3ihk s LEU 64 CO -0.04 0.20 0.13 -0.69 -0.29 0.00 0.00 176.35 175.66 3ihk s VAL 65 N -0.33 0.52 -0.29 1.68 1.01 -0.61 -4.97 120.40 117.40 3ihk s VAL 65 Ca 0.05 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.75 3ihk s VAL 65 Cb -0.07 -2.54 0.20 0.00 0.00 0.00 0.00 36.38 33.97 3ihk s VAL 65 CO -0.00 0.00 1.41 0.00 0.00 0.00 0.00 175.10 176.51 3ihk s ALA 67 N -3.52 -2.17 0.17 5.51 0.00 -0.75 -1.88 121.76 119.13 3ihk s ALA 67 Ca 0.34 1.82 -0.34 0.00 0.00 0.00 0.00 51.96 53.79 3ihk s ALA 67 Cb 0.05 -1.65 -0.14 0.00 0.00 0.00 0.00 23.12 21.39 3ihk s ALA 67 CO 0.16 -0.19 1.53 -2.30 0.00 0.00 0.00 175.76 174.97 3ihk n PRO 68 N 0.86 2.05 -0.16 0.00 -0.02 -1.26 -4.36 135.00 132.11 3ihk n PRO 68 Ca -0.03 0.74 0.28 0.00 -2.02 0.00 0.00 63.50 62.46 3ihk n PRO 68 Cb 0.58 -2.48 0.72 0.00 -0.02 0.00 0.00 33.50 32.30 3ihk n PRO 68 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ihk h ALA 69 N 5.54 2.81 -3.45 3.55 0.00 -1.99 -3.34 119.26 122.39 3ihk h ALA 69 Ca -0.45 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 3ihk h ALA 69 Cb 1.26 0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.74 3ihk h ALA 69 CO 0.86 -1.06 -0.79 -1.83 0.00 0.00 0.00 179.25 176.43 3ihk s GLU 70 N -4.98 1.50 0.00 0.00 -1.05 -1.26 -5.07 118.70 107.83 3ihk s GLU 70 Ca -0.05 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 3ihk s GLU 70 Cb 0.21 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.61 3ihk s GLU 70 CO 0.77 -0.52 0.00 0.36 0.95 0.00 0.00 175.26 176.82 3ihk n LYS 71 N 4.79 0.58 -0.02 -4.83 2.85 -1.25 -5.09 118.16 115.18 3ihk n LYS 71 Ca -0.12 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.11 3ihk n LYS 71 Cb 0.46 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.81 3ihk n LYS 71 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ihk n ASN 72 N 0.00 3.85 -4.95 -5.58 4.13 -1.26 -5.05 115.26 106.39 3ihk n ASN 72 Ca 0.00 -0.01 -0.23 0.00 1.68 0.00 0.00 54.58 56.02 3ihk n ASN 72 Cb 0.00 0.38 -0.02 0.00 -1.54 0.00 0.00 39.78 38.60 3ihk n ASN 72 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3ihk s ASP 73 N -3.84 6.32 0.60 6.41 -0.00 -1.26 -5.10 116.67 119.80 3ihk s ASP 73 Ca -0.04 0.27 -0.12 0.00 -0.00 0.00 0.00 52.55 52.67 3ihk s ASP 73 Cb 0.01 -1.95 -0.05 0.00 -0.00 0.00 0.00 42.92 40.94 3ihk s ASP 73 CO 0.16 -0.16 1.02 -0.89 -0.00 0.00 0.00 175.17 175.29 3ihk s THR 74 N -2.10 4.69 0.36 -1.27 2.01 -1.26 -4.84 115.64 113.23 3ihk s THR 74 Ca 0.37 0.90 0.06 0.00 0.31 0.00 0.00 61.69 63.33 3ihk s THR 74 Cb -0.10 -3.85 0.29 0.00 0.01 0.00 0.00 72.50 68.86 3ihk s THR 74 CO 0.32 -1.08 1.95 0.44 -0.69 0.00 0.00 174.62 175.57 3ihk h ASP 75 N -0.13 0.68 -0.37 3.53 3.32 -1.99 0.23 116.42 121.70 3ihk h ASP 75 Ca -0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 3ihk h ASP 75 Cb 1.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3ihk h ASP 75 CO 0.62 0.44 -0.16 0.74 -1.72 0.00 0.00 179.24 179.16 3ihk h THR 76 N 0.77 1.27 -0.75 0.35 2.02 -1.94 0.31 112.91 114.93 3ihk h THR 76 Ca 0.32 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 3ihk h THR 76 Cb 0.26 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3ihk h THR 76 CO -0.11 0.43 0.42 -0.08 0.37 0.00 0.00 175.52 176.56 3ihk h GLU 77 N 0.74 1.04 -0.23 6.66 4.81 -1.10 -0.79 114.58 125.72 3ihk h GLU 77 Ca 0.11 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3ihk h GLU 77 Cb 0.67 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3ihk h GLU 77 CO 0.05 0.77 0.06 1.25 -0.73 0.00 0.00 179.01 180.41 3ihk h LEU 78 N 1.04 0.34 0.23 1.64 6.46 -0.07 -2.07 115.31 122.89 3ihk h LEU 78 Ca 0.27 -0.22 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3ihk h LEU 78 Cb 0.02 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 3ihk h LEU 78 CO -0.04 0.47 -0.42 0.00 -0.62 0.00 0.00 178.44 177.83 3ihk h ALA 79 N 0.88 -0.82 -0.60 1.25 0.00 -0.56 0.95 119.26 120.35 3ihk h ALA 79 Ca 0.07 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3ihk h ALA 79 Cb 0.26 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3ihk h ALA 79 CO -0.00 -1.02 0.21 -0.07 0.00 0.00 0.00 179.25 178.37 3ihk h LEU 80 N -0.73 0.18 0.17 0.00 3.38 -1.14 0.85 115.31 118.02 3ihk h LEU 80 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ihk h LEU 80 Cb 0.71 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ihk h LEU 80 CO -0.18 0.11 -0.08 0.11 0.09 0.00 0.00 178.44 178.49 3ihk h LYS 81 N 0.37 -0.22 -0.78 1.13 1.57 -0.75 -0.72 116.57 117.17 3ihk h LYS 81 Ca 0.31 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.24 3ihk h LYS 81 Cb 0.40 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.66 3ihk h LYS 81 CO -0.32 0.04 0.35 1.15 -0.57 0.00 0.00 179.45 180.10 3ihk h THR 82 N -0.47 0.70 0.35 -0.16 2.02 0.14 0.90 112.91 116.39 3ihk h THR 82 Ca -0.02 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3ihk h THR 82 Cb 0.36 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3ihk h THR 82 CO 0.04 0.09 -0.17 0.40 0.37 0.00 0.00 175.52 176.25 3ihk h ILE 83 N 0.52 0.55 -0.73 3.11 2.04 -0.78 -2.63 117.51 119.59 3ihk h ILE 83 Ca 0.42 -0.64 0.14 0.00 1.00 0.00 0.00 64.86 65.78 3ihk h ILE 83 Cb 0.61 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3ihk h ILE 83 CO -0.37 0.10 0.48 -0.26 0.00 0.00 0.00 178.15 178.10 3ihk h PHE 84 N -0.88 0.49 0.00 1.37 0.04 -0.72 0.51 116.94 117.75 3ihk h PHE 84 Ca -0.05 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3ihk h PHE 84 Cb 0.53 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3ihk h PHE 84 CO 0.03 0.20 0.00 -0.44 -0.60 0.00 0.00 178.31 177.50 3ihk h ASP 85 N 0.43 0.00 0.00 2.17 3.32 -0.80 -1.26 116.42 120.29 3ihk h ASP 85 Ca 0.35 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.22 3ihk h ASP 85 Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 3ihk h ASP 85 CO -0.11 0.00 -1.43 0.00 -1.72 0.00 0.00 179.24 175.98 3ihk n PHE 87 N -4.42 0.65 0.00 0.00 0.99 -0.20 -5.08 117.46 109.41 3ihk n PHE 87 Ca -0.28 0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 3ihk n PHE 87 Cb 0.61 -0.82 0.00 0.00 -1.00 0.00 0.00 39.48 38.27 3ihk n PHE 87 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ihk n GLY 88 N 1.22 0.56 3.41 1.37 0.00 -0.47 -4.70 105.19 106.59 3ihk n GLY 88 Ca -0.02 -1.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.84 3ihk n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ihk n ARG 89 N 0.00 3.33 0.00 1.61 1.74 -1.26 -4.35 116.66 117.74 3ihk n ARG 89 Ca 0.00 -3.64 0.00 0.00 -0.77 0.00 0.00 57.85 53.44 3ihk n ARG 89 Cb 0.00 -3.15 0.00 0.00 -1.02 0.00 0.00 32.46 28.29 3ihk n ARG 89 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3ihk n VAL 90 N 4.94 0.00 -4.02 1.55 0.24 -1.26 -5.07 118.33 114.71 3ihk n VAL 90 Ca 0.41 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 62.40 3ihk n VAL 90 Cb 0.43 -1.18 -0.15 0.00 -1.47 0.00 0.00 33.84 31.46 3ihk n VAL 90 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3ihk s GLU 91 N 1.86 1.57 0.51 7.34 2.12 0.47 -4.77 118.70 127.80 3ihk s GLU 91 Ca 0.00 -1.82 -0.03 0.00 0.36 0.00 0.00 54.97 53.48 3ihk s GLU 91 Cb 0.00 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 3ihk s GLU 91 CO 0.00 -0.90 0.78 0.42 -0.54 0.00 0.00 175.26 175.02 3ihk s ILE 92 N 0.93 4.03 -0.30 -3.70 -1.09 -0.99 -0.68 121.20 119.40 3ihk s ILE 92 Ca 0.09 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 3ihk s ILE 92 Cb -0.19 -3.54 0.17 0.00 -1.58 0.00 0.00 42.46 37.32 3ihk s ILE 92 CO -0.08 -0.47 0.66 -0.63 -1.23 0.00 0.00 174.94 173.19 3ihk s ILE 93 N -2.75 -0.94 -0.22 2.92 1.01 -0.69 -3.52 121.20 117.02 3ihk s ILE 93 Ca 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.98 3ihk s ILE 93 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3ihk s ILE 93 CO 0.42 0.00 0.47 -0.69 0.00 0.00 0.00 174.94 175.13 3ihk s VAL 94 N 2.86 5.13 -0.15 2.92 1.01 -0.47 -1.34 120.40 130.37 3ihk s VAL 94 Ca 0.12 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 3ihk s VAL 94 Cb -0.14 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3ihk s VAL 94 CO -0.20 0.18 0.10 -0.36 0.00 0.00 0.00 175.10 174.82 3ihk s PHE 95 N 1.74 3.40 -0.17 5.22 0.08 0.20 -2.18 117.98 126.27 3ihk s PHE 95 Ca 0.21 0.31 -0.01 0.00 0.12 0.00 0.00 56.93 57.56 3ihk s PHE 95 Cb -0.15 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3ihk s PHE 95 CO 0.09 0.43 0.10 0.41 -0.10 0.00 0.00 175.22 176.14 3ihk n GLY 96 N 2.84 0.63 0.09 4.36 0.00 -1.23 -1.04 105.19 110.85 3ihk n GLY 96 Ca -0.18 -0.63 0.15 0.00 0.00 0.00 0.00 46.02 45.36 3ihk n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihk n ALA 97 N -2.30 2.65 -4.01 4.61 0.00 -1.26 -1.18 120.51 119.03 3ihk n ALA 97 Ca -0.01 -0.24 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 3ihk n ALA 97 Cb 0.51 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.37 3ihk n ALA 97 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ihk s PHE 98 N -2.18 2.36 0.01 0.00 0.08 -1.26 -4.82 117.98 112.17 3ihk s PHE 98 Ca 0.40 -1.34 0.00 0.00 0.12 0.00 0.00 56.93 56.11 3ihk s PHE 98 Cb 0.21 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 3ihk s PHE 98 CO 0.40 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 175.24 3ihk n GLY 99 N 4.65 4.09 0.31 4.36 0.00 -1.26 -1.89 105.19 115.46 3ihk n GLY 99 Ca -0.18 -1.93 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 3ihk n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ihk h GLY 100 N 0.03 1.17 -4.57 -0.02 0.00 -1.99 -3.42 103.07 94.28 3ihk h GLY 100 Ca -0.01 -0.69 -0.54 0.00 0.00 0.00 0.00 47.33 46.09 3ihk h GLY 100 CO 0.01 0.65 0.65 0.50 0.00 0.00 0.00 176.54 178.35 3ihk s ARG 101 N -5.41 4.38 0.09 4.80 0.52 -1.26 -4.94 118.95 117.12 3ihk s ARG 101 Ca -0.12 1.87 -0.08 0.00 -0.52 0.00 0.00 55.73 56.88 3ihk s ARG 101 Cb 0.14 -3.36 -0.21 0.00 0.52 0.00 0.00 34.95 32.04 3ihk s ARG 101 CO 0.83 -0.36 1.19 0.82 0.02 0.00 0.00 175.30 177.80 3ihk h ILE 102 N 4.53 1.39 0.00 1.52 1.08 -2.03 -3.23 117.51 120.77 3ihk h ILE 102 Ca -0.41 -2.63 0.00 0.00 -0.39 0.00 0.00 64.86 61.43 3ihk h ILE 102 Cb 1.20 2.67 0.00 0.00 -3.07 0.00 0.00 36.82 37.62 3ihk h ILE 102 CO 0.84 0.78 0.00 -2.24 -0.69 0.00 0.00 178.15 176.85 3ihk h ASP 103 N 0.20 0.00 -0.41 1.72 -0.00 -1.97 -1.99 116.42 113.97 3ihk h ASP 103 Ca -0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.71 3ihk h ASP 103 Cb 1.81 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 41.03 3ihk h ASP 103 CO 0.20 0.00 0.23 1.41 -0.00 0.00 0.00 179.24 181.08 3ihk n HIS 104 N -2.56 1.31 0.00 4.15 8.25 -1.22 -3.03 115.22 122.12 3ihk n HIS 104 Ca -0.01 -0.93 0.00 0.00 -0.26 0.00 0.00 57.72 56.52 3ihk n HIS 104 Cb 0.09 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.70 3ihk n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ihk n LEU 106 N -0.13 0.00 -0.22 2.41 4.77 -0.75 -2.73 117.00 120.36 3ihk n LEU 106 Ca 0.24 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.24 3ihk n LEU 106 Cb 0.96 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.30 3ihk n LEU 106 CO 0.25 0.00 1.24 -1.28 -1.33 0.00 0.00 177.39 176.27 3ihk h SER 107 N 0.00 0.85 0.22 -1.43 0.87 -1.77 -0.74 113.55 111.54 3ihk h SER 107 Ca 0.00 -0.02 -0.35 0.00 -1.23 0.00 0.00 61.79 60.20 3ihk h SER 107 Cb 0.00 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3ihk h SER 107 CO 0.00 0.60 -1.69 0.78 -0.53 0.00 0.00 176.83 175.99 3ihk h ASN 108 N 0.99 0.65 -0.06 6.23 2.35 -1.83 -3.20 115.58 120.71 3ihk h ASN 108 Ca 0.29 -0.91 -0.00 0.00 -0.55 0.00 0.00 56.30 55.13 3ihk h ASN 108 Cb -0.05 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 3ihk h ASN 108 CO -0.07 1.76 0.04 0.40 -1.65 0.00 0.00 177.43 177.90 3ihk h ILE 109 N 0.11 1.03 -1.14 2.81 2.04 -1.80 -2.74 117.51 117.82 3ihk h ILE 109 Ca -0.32 -0.07 -0.61 0.00 1.00 0.00 0.00 64.86 64.85 3ihk h ILE 109 Cb 2.11 0.93 -0.38 0.00 -0.74 0.00 0.00 36.82 38.74 3ihk h ILE 109 CO 0.20 0.03 -0.20 0.49 0.00 0.00 0.00 178.15 178.66 3ihk n PHE 110 N -4.52 3.04 -0.08 1.37 3.72 -0.30 -4.75 117.46 115.94 3ihk n PHE 110 Ca -0.02 -2.62 -0.14 0.00 -0.05 0.00 0.00 57.45 54.62 3ihk n PHE 110 Cb 0.09 -0.62 -0.05 0.00 -0.94 0.00 0.00 39.48 37.96 3ihk n PHE 110 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ihk h LEU 111 N 2.34 0.80 0.00 4.37 3.38 -1.48 -3.16 115.31 121.56 3ihk h LEU 111 Ca 0.43 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ihk h LEU 111 Cb 1.05 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3ihk h LEU 111 CO 1.04 1.17 0.02 -2.65 0.09 0.00 0.00 178.44 178.11 3ihk n PRO 112 N -4.18 0.00 0.16 1.13 -0.02 -1.26 -1.18 135.00 129.65 3ihk n PRO 112 Ca -0.05 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.65 3ihk n PRO 112 Cb 0.55 -1.52 0.38 0.00 -0.02 0.00 0.00 33.50 32.89 3ihk n PRO 112 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3ihk h SER 113 N 0.00 0.00 -3.45 2.55 0.02 -1.93 -3.35 113.55 107.39 3ihk h SER 113 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3ihk h SER 113 Cb 0.04 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.49 3ihk h SER 113 CO 0.00 0.00 0.60 -0.62 -1.14 0.00 0.00 176.83 175.67 3ihk s ASP 114 N -5.11 6.72 0.39 3.07 -1.08 -0.33 -4.93 116.67 115.40 3ihk s ASP 114 Ca 0.07 0.67 0.23 0.00 -0.52 0.00 0.00 52.55 53.00 3ihk s ASP 114 Cb 0.09 -2.46 1.32 0.00 -1.46 0.00 0.00 42.92 40.41 3ihk s ASP 114 CO 0.58 -0.81 1.61 -0.65 0.52 0.00 0.00 175.17 176.42 3ihk h PRO 115 N 8.34 0.09 -0.20 4.34 0.11 -1.90 0.53 132.00 143.32 3ihk h PRO 115 Ca -0.23 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.74 3ihk h PRO 115 Cb 1.08 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3ihk h PRO 115 CO 0.97 0.06 -0.46 -0.44 -0.21 0.00 0.00 178.00 177.92 3ihk h ASP 116 N 0.10 0.55 1.05 -2.05 3.32 -1.95 -3.22 116.42 114.22 3ihk h ASP 116 Ca 0.82 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.57 3ihk h ASP 116 Cb 2.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.64 3ihk h ASP 116 CO -0.61 0.93 -0.97 -0.07 -1.72 0.00 0.00 179.24 176.80 3ihk h LEU 117 N 0.41 0.00 -0.72 1.55 -0.00 -0.46 -3.38 115.31 112.71 3ihk h LEU 117 Ca 0.03 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.07 3ihk h LEU 117 Cb 0.96 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.51 3ihk h LEU 117 CO 0.09 0.13 0.10 0.00 -0.00 0.00 0.00 178.44 178.76 3ihk h ALA 118 N 1.87 0.85 -0.62 1.53 0.00 -0.56 -2.57 119.26 119.75 3ihk h ALA 118 Ca -0.03 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3ihk h ALA 118 Cb 1.13 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3ihk h ALA 118 CO 0.01 -0.38 0.36 -1.35 0.00 0.00 0.00 179.25 177.89 3ihk h PRO 119 N 0.19 0.67 -5.21 0.00 0.11 -1.75 -3.42 132.00 122.59 3ihk h PRO 119 Ca 0.40 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.81 3ihk h PRO 119 Cb 0.69 -0.15 -0.16 0.00 0.11 0.00 0.00 31.00 31.49 3ihk h PRO 119 CO -0.56 0.45 0.56 -0.06 -0.21 0.00 0.00 178.00 178.17 3ihk s PHE 120 N -6.12 2.85 0.00 0.65 0.40 -0.97 -4.90 117.98 109.89 3ihk s PHE 120 Ca -0.13 -0.85 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 3ihk s PHE 120 Cb 0.15 -4.25 0.00 0.00 0.51 0.00 0.00 43.02 39.43 3ihk s PHE 120 CO 0.75 -1.55 0.00 0.54 0.70 0.00 0.00 175.22 175.66 3ihk n ARG 122 N 7.17 0.00 -0.11 0.44 5.12 -1.26 -3.66 116.66 124.35 3ihk n ARG 122 Ca 0.03 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.77 3ihk n ARG 122 Cb 0.46 -0.19 -0.13 0.00 -1.16 0.00 0.00 32.46 31.44 3ihk n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ihk s PHE 124 N -2.52 3.53 -0.02 0.00 -0.12 -1.24 -2.34 117.98 115.27 3ihk s PHE 124 Ca -0.31 0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 3ihk s PHE 124 Cb 0.08 -1.93 0.02 0.00 -0.63 0.00 0.00 43.02 40.56 3ihk s PHE 124 CO 0.64 0.56 0.00 0.15 -0.05 0.00 0.00 175.22 176.52 3ihk s LYS 125 N -2.22 0.13 0.00 1.99 1.02 -1.23 -4.66 119.74 114.77 3ihk s LYS 125 Ca 0.33 0.06 -0.20 0.00 0.02 0.00 0.00 55.97 56.18 3ihk s LYS 125 Cb -0.13 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 36.86 3ihk s LYS 125 CO 0.22 -0.08 0.58 -0.51 -0.92 0.00 0.00 175.35 174.63 3ihk s LEU 126 N 0.63 4.43 -0.06 3.17 1.02 -0.57 -1.36 118.68 125.93 3ihk s LEU 126 Ca -0.06 1.15 -0.07 0.00 0.02 0.00 0.00 54.13 55.17 3ihk s LEU 126 Cb -0.08 -2.89 0.02 0.00 0.02 0.00 0.00 46.19 43.25 3ihk s LEU 126 CO -0.01 0.13 0.19 -0.60 0.02 0.00 0.00 176.35 176.07 3ihk s ARG 127 N -0.31 0.25 0.00 1.70 6.06 -0.92 -0.13 118.95 125.60 3ihk s ARG 127 Ca 0.30 0.20 0.00 0.00 -2.50 0.00 0.00 55.73 53.74 3ihk s ARG 127 Cb -0.18 0.12 0.00 0.00 0.06 0.00 0.00 34.95 34.95 3ihk s ARG 127 CO 0.17 -0.04 0.00 -0.40 -2.50 0.00 0.00 175.30 172.53 3ihk n ASP 128 N 2.83 0.00 -0.25 -2.12 5.75 -0.79 -3.97 116.55 118.00 3ihk n ASP 128 Ca -0.14 -0.98 -0.10 0.00 -0.01 0.00 0.00 54.79 53.56 3ihk n ASP 128 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 3ihk n ASP 128 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3ihk h GLU 129 N 0.00 -0.14 0.00 0.11 4.57 -1.94 -3.24 114.58 113.94 3ihk h GLU 129 Ca 0.00 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3ihk h GLU 129 Cb 0.00 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3ihk h GLU 129 CO 0.00 -0.09 -0.03 0.00 -1.18 0.00 0.00 179.01 177.70 3ihk n GLN 130 N -4.91 1.21 -4.16 1.92 10.64 -1.26 -5.00 117.38 115.81 3ihk n GLN 130 Ca -0.00 -2.49 -0.17 0.00 -1.83 0.00 0.00 57.00 52.51 3ihk n GLN 130 Cb 0.25 -1.44 -0.12 0.00 -0.86 0.00 0.00 30.24 28.07 3ihk n GLN 130 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3ihk s ASN 131 N -2.77 1.37 -0.16 2.61 -0.87 -1.22 -2.54 114.94 111.35 3ihk s ASN 131 Ca 0.30 -0.55 -0.04 0.00 -1.57 0.00 0.00 52.86 51.00 3ihk s ASN 131 Cb 0.26 -0.03 0.07 0.00 -0.02 0.00 0.00 41.25 41.53 3ihk s ASN 131 CO 0.03 -0.09 0.15 -0.22 -2.57 0.00 0.00 177.10 174.39 3ihk s LEU 132 N -1.53 0.09 -0.20 0.60 1.98 -0.31 -1.88 118.68 117.44 3ihk s LEU 132 Ca -0.04 -0.25 -0.05 0.00 -2.89 0.00 0.00 54.13 50.90 3ihk s LEU 132 Cb -0.09 0.09 -0.02 0.00 0.66 0.00 0.00 46.19 46.82 3ihk s LEU 132 CO 0.01 -0.32 -0.00 -0.69 -1.89 0.00 0.00 176.35 173.46 3ihk s VAL 133 N 2.24 3.94 0.50 1.68 1.01 0.81 -1.08 120.40 129.49 3ihk s VAL 133 Ca 0.04 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3ihk s VAL 133 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 3ihk s VAL 133 CO -0.09 0.43 0.00 -1.61 0.00 0.00 0.00 175.10 173.84 3ihk s GLU 134 N 0.95 2.17 -0.08 2.72 2.02 0.45 -1.51 118.70 125.41 3ihk s GLU 134 Ca 0.01 -2.37 -0.04 0.00 0.02 0.00 0.00 54.97 52.59 3ihk s GLU 134 Cb -0.14 -1.54 0.04 0.00 0.10 0.00 0.00 34.13 32.58 3ihk s GLU 134 CO 0.02 -0.33 0.19 -0.06 0.02 0.00 0.00 175.26 175.10 3ihk s PHE 135 N -2.86 -0.23 -0.06 1.61 0.08 -1.26 -2.03 117.98 113.24 3ihk s PHE 135 Ca 0.09 0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.75 3ihk s PHE 135 Cb 0.03 -0.01 0.01 0.00 -0.57 0.00 0.00 43.02 42.47 3ihk s PHE 135 CO 0.05 -0.18 -0.13 -0.06 -0.10 0.00 0.00 175.22 174.80 3ihk s PHE 136 N 1.00 1.47 1.06 0.36 0.40 0.04 -4.54 117.98 117.77 3ihk s PHE 136 Ca -0.07 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 3ihk s PHE 136 Cb -0.09 -1.05 0.22 0.00 0.51 0.00 0.00 43.02 42.61 3ihk s PHE 136 CO -0.06 -0.24 1.06 -2.14 0.70 0.00 0.00 175.22 174.55 3ihk s PRO 137 N 0.47 -0.09 0.35 0.24 0.02 -1.26 0.40 135.00 135.13 3ihk s PRO 137 Ca -0.11 0.77 -0.28 0.00 0.02 0.00 0.00 61.00 61.40 3ihk s PRO 137 Cb -0.14 -1.66 -0.11 0.00 0.02 0.00 0.00 34.50 32.62 3ihk s PRO 137 CO 0.03 -3.15 1.39 0.00 -0.33 0.00 0.00 177.00 174.94 3ihk s ALA 138 N -2.70 3.54 0.00 -1.55 0.00 -0.68 -4.67 121.76 115.70 3ihk s ALA 138 Ca 0.67 1.40 0.00 0.00 0.00 0.00 0.00 51.96 54.03 3ihk s ALA 138 Cb -0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3ihk s ALA 138 CO 0.61 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3ihk n GLY 139 N 0.73 0.94 3.84 0.00 0.00 -0.52 -4.96 105.19 105.22 3ihk n GLY 139 Ca 0.01 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3ihk n GLY 139 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ihk s GLN 140 N -1.84 3.73 0.05 1.61 1.11 -1.26 -3.02 119.66 120.04 3ihk s GLN 140 Ca 0.00 0.06 -0.09 0.00 0.01 0.00 0.00 55.36 55.34 3ihk s GLN 140 Cb 0.00 -3.24 0.00 0.00 -1.01 0.00 0.00 33.01 28.76 3ihk s GLN 140 CO 0.00 0.66 0.20 -1.01 0.01 0.00 0.00 175.29 175.15 3ihk s HIS 141 N -0.79 0.07 0.14 0.91 3.76 -0.89 -5.03 115.29 113.46 3ihk s HIS 141 Ca 0.17 -0.33 0.09 0.00 -0.15 0.00 0.00 55.06 54.85 3ihk s HIS 141 Cb -0.14 -0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.48 3ihk s HIS 141 CO 0.07 -0.45 -0.21 -0.65 -0.85 0.00 0.00 174.74 172.64 3ihk s GLN 142 N -2.82 1.26 -0.19 1.40 -0.21 -1.26 -1.90 119.66 115.95 3ihk s GLN 142 Ca -0.03 -1.32 -0.16 0.00 0.02 0.00 0.00 55.36 53.87 3ihk s GLN 142 Cb 0.00 -1.48 0.05 0.00 1.00 0.00 0.00 33.01 32.59 3ihk s GLN 142 CO -0.05 0.32 0.49 -1.50 -2.12 0.00 0.00 175.29 172.43 3ihk s ILE 143 N -1.56 -0.00 0.08 1.08 2.07 -0.18 -4.97 121.20 117.71 3ihk s ILE 143 Ca 0.13 0.02 0.08 0.00 -1.41 0.00 0.00 60.65 59.46 3ihk s ILE 143 Cb -0.08 -0.69 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 3ihk s ILE 143 CO 0.06 0.01 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.32 3ihk s GLU 144 N 0.54 1.98 0.35 3.50 2.02 -1.26 -0.55 118.70 125.28 3ihk s GLU 144 Ca -0.02 -1.06 -0.28 0.00 0.02 0.00 0.00 54.97 53.63 3ihk s GLU 144 Cb -0.04 -2.19 -0.12 0.00 0.10 0.00 0.00 34.13 31.88 3ihk s GLU 144 CO -0.03 0.51 1.38 0.94 0.02 0.00 0.00 175.26 178.08 3ihk n GLN 145 N 1.13 2.34 -0.14 1.61 7.27 -1.26 -5.01 117.38 123.32 3ihk n GLN 145 Ca -0.15 0.82 -0.03 0.00 0.07 0.00 0.00 57.00 57.71 3ihk n GLN 145 Cb 0.52 -2.47 0.02 0.00 2.41 0.00 0.00 30.24 30.73 3ihk n GLN 145 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ihk n ALA 146 N 0.51 -0.27 -1.00 1.69 0.00 -1.26 -5.06 120.51 115.12 3ihk n ALA 146 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ihk n ALA 146 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.81 3ihk n ALA 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ihk n THR 147 N -2.52 0.00 -0.12 0.00 -2.24 -1.26 -4.94 114.28 103.20 3ihk n THR 147 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3ihk n THR 147 Cb 0.06 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ihk n THR 147 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ihk n ASP 148 N 0.00 0.00 0.00 3.42 5.68 -1.26 -5.11 116.55 119.28 3ihk n ASP 148 Ca 0.00 -0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3ihk n ASP 148 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3ihk n ASP 148 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 3ihk n VAL 150 N 1.42 0.00 -4.03 2.12 0.31 0.12 -4.73 118.33 113.53 3ihk n VAL 150 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 3ihk n VAL 150 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 3ihk n VAL 150 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ihk s TYR 151 N -1.53 3.26 -0.00 3.52 2.02 0.06 -4.59 117.35 120.10 3ihk s TYR 151 Ca 0.00 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.76 3ihk s TYR 151 Cb 0.00 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 3ihk s TYR 151 CO 0.00 0.52 -0.01 -1.50 -1.57 0.00 0.00 175.55 172.99 3ihk s ILE 152 N -1.67 0.13 0.08 2.71 2.07 -0.24 0.01 121.20 124.29 3ihk s ILE 152 Ca 0.32 -0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 3ihk s ILE 152 Cb -0.11 -0.13 -0.03 0.00 0.13 0.00 0.00 42.46 42.32 3ihk s ILE 152 CO 0.25 0.05 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.75 3ihk s SER 153 N 0.06 1.63 0.41 4.50 0.01 0.13 -0.92 113.70 119.53 3ihk s SER 153 Ca -0.00 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.64 3ihk s SER 153 Cb -0.02 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 3ihk s SER 153 CO -0.00 -0.11 0.05 -0.36 0.41 0.00 0.00 173.24 173.22 3ihk s PHE 154 N -1.50 2.04 0.30 2.43 0.08 -1.11 -1.84 117.98 118.37 3ihk s PHE 154 Ca -0.01 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.12 3ihk s PHE 154 Cb -0.09 -1.47 -0.06 0.00 -0.57 0.00 0.00 43.02 40.83 3ihk s PHE 154 CO 0.02 0.11 0.05 0.00 -0.10 0.00 0.00 175.22 175.30 3ihk s ALA 156 N -3.02 2.22 -0.08 5.36 0.00 -1.25 -1.07 121.76 123.92 3ihk s ALA 156 Ca 0.25 -1.99 0.07 0.00 0.00 0.00 0.00 51.96 50.29 3ihk s ALA 156 Cb 0.06 0.66 -0.10 0.00 0.00 0.00 0.00 23.12 23.73 3ihk s ALA 156 CO 0.13 -0.31 0.04 0.00 0.00 0.00 0.00 175.76 175.62 3ihk n ALA 157 N -0.62 1.82 0.25 0.00 0.00 -1.21 -4.68 120.51 116.06 3ihk n ALA 157 Ca -0.02 -0.54 0.10 0.00 0.00 0.00 0.00 53.44 52.98 3ihk n ALA 157 Cb 0.66 0.06 0.18 0.00 0.00 0.00 0.00 19.45 20.35 3ihk n ALA 157 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ihk n ASN 158 N -2.29 3.16 0.00 0.00 2.04 -1.26 -4.95 115.26 111.96 3ihk n ASN 158 Ca -0.13 -1.91 0.00 0.00 -0.44 0.00 0.00 54.58 52.10 3ihk n ASN 158 Cb 0.75 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.79 3ihk n ASN 158 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ihk n GLY 159 N 1.21 0.64 3.63 4.83 0.00 -1.26 -5.06 105.19 109.18 3ihk n GLY 159 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3ihk n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ihk n ALA 160 N -1.36 -0.31 -2.68 4.61 0.00 -1.26 -4.93 120.51 114.58 3ihk n ALA 160 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 3ihk n ALA 160 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 3ihk n ALA 160 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ihk s HIS 161 N -1.98 3.45 0.85 0.00 3.76 -1.26 -4.81 115.29 115.30 3ihk s HIS 161 Ca 0.72 1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 56.75 3ihk s HIS 161 Cb -0.31 -2.95 0.10 0.00 1.11 0.00 0.00 32.58 30.52 3ihk s HIS 161 CO 0.52 -0.16 1.12 -0.51 -0.85 0.00 0.00 174.74 174.85 3ihk s LEU 162 N 1.81 2.33 -0.14 0.89 1.43 -1.26 -4.51 118.68 119.22 3ihk s LEU 162 Ca 0.37 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 3ihk s LEU 162 Cb -0.17 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.50 3ihk s LEU 162 CO 0.14 -2.23 0.30 -0.55 0.23 0.00 0.00 176.35 174.23 3ihk s SER 163 N -3.98 0.22 -0.03 2.29 0.15 -1.16 -4.88 113.70 106.32 3ihk s SER 163 Ca 0.62 0.68 0.06 0.00 0.70 0.00 0.00 55.95 58.01 3ihk s SER 163 Cb -0.14 0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 64.99 3ihk s SER 163 CO 0.54 -0.24 -0.21 -0.63 1.20 0.00 0.00 173.24 173.90 3ihk s ILE 164 N 2.45 1.68 0.03 6.45 1.01 -0.66 -1.59 121.20 130.58 3ihk s ILE 164 Ca 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.76 3ihk s ILE 164 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 3ihk s ILE 164 CO -0.09 0.48 -0.05 -1.58 0.00 0.00 0.00 174.94 173.70 3ihk s GLN 165 N -0.37 0.43 0.00 2.79 2.00 0.38 -1.92 119.66 122.98 3ihk s GLN 165 Ca 0.05 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 52.65 3ihk s GLN 165 Cb -0.09 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.71 3ihk s GLN 165 CO 0.00 -0.03 0.00 -0.25 -0.50 0.00 0.00 175.29 174.52 3ihk n ASP 166 N 1.30 -0.47 -4.93 6.67 10.43 -1.26 -0.07 116.55 128.22 3ihk n ASP 166 Ca -0.22 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 56.89 3ihk n ASP 166 Cb 0.56 -1.30 0.00 0.00 1.84 0.00 0.00 41.12 42.23 3ihk n ASP 166 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ihk s ALA 167 N -2.43 3.53 0.18 2.24 0.00 -1.26 -4.51 121.76 119.51 3ihk s ALA 167 Ca 0.00 -0.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 3ihk s ALA 167 Cb 0.00 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.83 3ihk s ALA 167 CO 0.00 -0.35 1.59 -0.22 0.00 0.00 0.00 175.76 176.78 3ihk h LYS 168 N 0.32 -0.19 -5.11 0.00 3.64 -1.09 -3.35 116.57 110.78 3ihk h LYS 168 Ca -0.47 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.29 3ihk h LYS 168 Cb 1.23 0.04 -0.18 0.00 -0.41 0.00 0.00 32.23 32.91 3ihk h LYS 168 CO 0.60 -0.13 -0.57 0.71 -2.27 0.00 0.00 179.45 177.80 3ihk s TYR 169 N -5.99 3.20 0.20 1.91 2.02 -1.26 -5.00 117.35 112.42 3ihk s TYR 169 Ca -0.15 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 3ihk s TYR 169 Cb 0.15 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 3ihk s TYR 169 CO 0.69 -0.05 0.20 -1.21 -1.57 0.00 0.00 175.55 173.60 3ihk s GLU 170 N 1.00 3.04 -0.13 -0.62 2.02 -1.26 -4.86 118.70 117.89 3ihk s GLU 170 Ca 0.05 -0.88 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 3ihk s GLU 170 Cb -0.14 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.44 3ihk s GLU 170 CO 0.03 0.46 -0.04 -1.17 0.02 0.00 0.00 175.26 174.56 3ihk s LEU 171 N -3.44 1.18 0.23 1.80 2.96 -0.81 -4.96 118.68 115.65 3ihk s LEU 171 Ca 0.32 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3ihk s LEU 171 Cb -0.09 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3ihk s LEU 171 CO 0.25 -0.18 0.18 0.42 -1.32 0.00 0.00 176.35 175.71 3ihk s THR 172 N 1.76 0.00 0.13 3.68 -4.23 -1.26 -1.66 115.64 114.06 3ihk s THR 172 Ca 0.03 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.29 3ihk s THR 172 Cb -0.14 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.13 3ihk s THR 172 CO -0.07 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.17 3ihk h GLU 173 N 2.50 -0.23 -0.17 3.99 3.07 -1.97 0.23 114.58 122.00 3ihk h GLU 173 Ca -0.33 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.58 3ihk h GLU 173 Cb 1.25 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 3ihk h GLU 173 CO 0.49 -0.16 -0.48 1.05 -1.40 0.00 0.00 179.01 178.51 3ihk h GLU 174 N -0.24 -0.50 -0.77 2.33 9.09 -2.03 -2.73 114.58 119.72 3ihk h GLU 174 Ca 0.09 0.03 -0.10 0.00 0.05 0.00 0.00 59.36 59.44 3ihk h GLU 174 Cb 0.48 0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.64 3ihk h GLU 174 CO -0.64 -0.33 0.12 0.27 0.05 0.00 0.00 179.01 178.48 3ihk n ASN 175 N -5.43 4.24 -4.77 3.06 6.94 -1.03 -4.98 115.26 113.28 3ihk n ASN 175 Ca -0.05 -2.81 -0.40 0.00 -0.02 0.00 0.00 54.58 51.31 3ihk n ASN 175 Cb 0.37 -0.67 -0.02 0.00 -2.36 0.00 0.00 39.78 37.11 3ihk n ASN 175 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3ihk s TYR 176 N -2.32 3.04 -0.11 -2.53 6.14 0.79 -4.69 117.35 117.67 3ihk s TYR 176 Ca 0.40 1.46 -0.06 0.00 0.64 0.00 0.00 57.07 59.52 3ihk s TYR 176 Cb 0.32 -3.59 0.04 0.00 0.42 0.00 0.00 41.96 39.15 3ihk s TYR 176 CO 0.11 -1.71 0.26 -0.59 0.64 0.00 0.00 175.55 174.26 3ihk s PHE 177 N -1.22 -0.35 0.45 4.97 -0.71 -1.26 -5.07 117.98 114.80 3ihk s PHE 177 Ca 0.52 0.82 -0.25 0.00 -1.04 0.00 0.00 56.93 56.98 3ihk s PHE 177 Cb -0.37 0.08 -0.08 0.00 -1.21 0.00 0.00 43.02 41.44 3ihk s PHE 177 CO 0.48 -0.23 1.39 -0.65 -1.34 0.00 0.00 175.22 174.88 3ihk s GLN 178 N 1.09 3.69 0.00 1.99 -0.21 -1.26 -5.02 119.66 119.95 3ihk s GLN 178 Ca -0.08 2.34 0.00 0.00 0.02 0.00 0.00 55.36 57.64 3ihk s GLN 178 Cb -0.09 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.29 3ihk s GLN 178 CO -0.08 -0.78 0.00 1.63 -2.12 0.00 0.00 175.29 173.94 3ihk n LYS 179 N -0.21 0.00 -0.37 2.91 5.02 -1.26 -5.05 118.16 119.20 3ihk n LYS 179 Ca 0.05 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 3ihk n LYS 179 Cb 0.43 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.61 3ihk n LYS 179 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3ihk h LYS 180 N 0.00 1.16 -4.34 1.97 1.63 -1.97 -3.42 116.57 111.61 3ihk h LYS 180 Ca 0.00 -0.07 -0.29 0.00 -0.85 0.00 0.00 60.65 59.44 3ihk h LYS 180 Cb 0.00 -0.26 -0.26 0.00 -0.60 0.00 0.00 32.23 31.11 3ihk h LYS 180 CO 0.00 0.77 -0.74 -1.50 -3.45 0.00 0.00 179.45 174.53 3ihk s ILE 181 N -6.04 0.41 -0.72 2.00 2.07 -1.26 -3.90 121.20 113.76 3ihk s ILE 181 Ca -0.12 -0.52 -0.00 0.00 -1.41 0.00 0.00 60.65 58.59 3ihk s ILE 181 Cb 0.20 -0.41 0.18 0.00 0.13 0.00 0.00 42.46 42.56 3ihk s ILE 181 CO 0.81 -0.08 0.54 -0.31 -1.91 0.00 0.00 174.94 173.99 3ihk s TYR 182 N -0.59 3.56 0.71 3.50 2.02 -0.23 -5.00 117.35 121.32 3ihk s TYR 182 Ca -0.03 -3.00 -0.06 0.00 -0.37 0.00 0.00 57.07 53.61 3ihk s TYR 182 Cb -0.05 -3.07 0.08 0.00 -0.40 0.00 0.00 41.96 38.52 3ihk s TYR 182 CO -0.00 -0.74 1.00 -1.54 -1.57 0.00 0.00 175.55 172.71 3ihk s SER 183 N -0.14 4.68 -1.00 2.29 1.04 -1.26 -2.76 113.70 116.54 3ihk s SER 183 Ca 0.22 0.28 -0.00 0.00 0.48 0.00 0.00 55.95 56.92 3ihk s SER 183 Cb -0.14 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 65.10 3ihk s SER 183 CO -0.08 -1.66 0.84 -1.20 0.98 0.00 0.00 173.24 172.11 3ihk n SER 184 N -2.90 -2.40 -4.86 7.02 7.64 -1.25 -4.95 113.62 111.92 3ihk n SER 184 Ca 0.09 -0.53 -0.21 0.00 1.01 0.00 0.00 58.87 59.23 3ihk n SER 184 Cb 0.60 -4.42 -0.03 0.00 -1.01 0.00 0.00 64.21 59.35 3ihk n SER 184 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3ihk s ASN 185 N -4.07 5.31 0.13 6.43 3.84 -0.09 -4.88 114.94 121.60 3ihk s ASN 185 Ca 0.04 -0.50 0.02 0.00 0.21 0.00 0.00 52.86 52.62 3ihk s ASN 185 Cb -0.00 -0.94 -0.04 0.00 -0.55 0.00 0.00 41.25 39.71 3ihk s ASN 185 CO 0.62 -0.39 -0.04 -1.61 -2.79 0.00 0.00 177.10 172.88 3ihk s GLU 186 N -4.02 0.95 0.56 0.43 2.02 -1.26 -1.08 118.70 116.30 3ihk s GLU 186 Ca 0.42 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.95 3ihk s GLU 186 Cb -0.06 -0.26 0.01 0.00 0.10 0.00 0.00 34.13 33.92 3ihk s GLU 186 CO 0.27 -0.05 0.84 -0.06 0.02 0.00 0.00 175.26 176.28 3ihk s PHE 187 N -3.62 3.22 -0.48 1.61 0.08 -1.26 -0.53 117.98 117.00 3ihk s PHE 187 Ca 0.17 0.51 0.07 0.00 0.12 0.00 0.00 56.93 57.79 3ihk s PHE 187 Cb 0.05 -2.64 0.18 0.00 -0.57 0.00 0.00 43.02 40.04 3ihk s PHE 187 CO -0.01 -0.72 0.64 -1.59 -0.10 0.00 0.00 175.22 173.44 3ihk s LYS 188 N -4.88 0.99 0.00 0.44 -2.85 -1.26 -4.69 119.74 107.49 3ihk s LYS 188 Ca 0.53 -1.08 0.00 0.00 -1.00 0.00 0.00 55.97 54.42 3ihk s LYS 188 Cb -0.10 -0.25 0.00 0.00 -2.06 0.00 0.00 37.83 35.41 3ihk s LYS 188 CO 0.43 -1.31 0.00 -0.25 0.10 0.00 0.00 175.35 174.32 3ihk n ASP 189 N 3.22 0.00 -4.39 0.03 8.00 -1.26 -4.86 116.55 117.29 3ihk n ASP 189 Ca 0.18 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.49 3ihk n ASP 189 Cb 0.54 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.46 3ihk n ASP 189 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3ihk s LYS 190 N 0.00 1.46 0.46 -1.24 -2.85 -1.26 -5.14 119.74 111.18 3ihk s LYS 190 Ca 0.00 -1.74 -0.22 0.00 -1.00 0.00 0.00 55.97 53.01 3ihk s LYS 190 Cb 0.00 -0.95 -0.08 0.00 -2.06 0.00 0.00 37.83 34.75 3ihk s LYS 190 CO 0.00 -0.01 1.11 -2.14 0.10 0.00 0.00 175.35 174.41 3ihk s PRO 191 N -3.78 3.80 0.37 1.78 0.02 -1.26 -4.94 135.00 130.98 3ihk s PRO 191 Ca 0.29 1.61 -0.17 0.00 0.02 0.00 0.00 61.00 62.75 3ihk s PRO 191 Cb 0.04 -2.32 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 3ihk s PRO 191 CO 0.10 -0.48 0.82 0.42 -0.33 0.00 0.00 177.00 177.54 3ihk s ILE 192 N -1.68 4.57 -0.11 2.83 1.01 0.29 -4.78 121.20 123.33 3ihk s ILE 192 Ca 0.64 1.15 0.03 0.00 0.00 0.00 0.00 60.65 62.47 3ihk s ILE 192 Cb -0.24 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3ihk s ILE 192 CO 0.29 -0.25 -0.19 0.00 0.00 0.00 0.00 174.94 174.79 3ihk s PHE 194 N 0.70 1.37 0.26 0.00 -0.71 -0.80 0.14 117.98 118.95 3ihk s PHE 194 Ca -0.12 -1.47 -0.20 0.00 -1.04 0.00 0.00 56.93 54.10 3ihk s PHE 194 Cb -0.16 -0.57 0.06 0.00 -1.21 0.00 0.00 43.02 41.14 3ihk s PHE 194 CO 0.02 -0.78 0.90 -1.54 -1.34 0.00 0.00 175.22 172.49 3ihk s SER 195 N -3.25 -0.05 -0.28 1.98 1.04 -0.62 -2.09 113.70 110.43 3ihk s SER 195 Ca 0.39 -0.80 -0.19 0.00 0.48 0.00 0.00 55.95 55.83 3ihk s SER 195 Cb 0.04 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.92 3ihk s SER 195 CO 0.19 -1.27 0.82 0.54 0.98 0.00 0.00 173.24 174.50 3ihk s VAL 196 N -2.59 0.00 0.11 5.02 0.11 -1.17 -2.97 120.40 118.92 3ihk s VAL 196 Ca 0.17 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.06 3ihk s VAL 196 Cb -0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 3ihk s VAL 196 CO 0.07 0.00 1.53 0.00 -3.33 0.00 0.00 175.10 173.37 3ihk h ALA 197 N 6.03 0.47 -1.88 1.54 0.00 -1.90 -1.38 119.26 122.14 3ihk h ALA 197 Ca -0.29 -0.27 -0.50 0.00 0.00 0.00 0.00 54.91 53.85 3ihk h ALA 197 Cb 1.20 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.73 3ihk h ALA 197 CO 0.15 0.27 -0.56 -1.54 0.00 0.00 0.00 179.25 177.57 3ihk s SER 198 N -6.18 2.40 0.86 0.00 1.04 -1.26 -4.68 113.70 105.88 3ihk s SER 198 Ca -0.13 -1.55 0.00 0.00 0.48 0.00 0.00 55.95 54.75 3ihk s SER 198 Cb 0.09 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3ihk s SER 198 CO 0.79 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3ihk n GLY 199 N -0.77 0.98 3.50 7.32 0.00 -1.26 -4.70 105.19 110.26 3ihk n GLY 199 Ca -0.04 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 3ihk n GLY 199 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ihk s TYR 200 N 0.00 1.79 -0.03 1.61 -0.85 -1.26 -1.68 117.35 116.92 3ihk s TYR 200 Ca 0.00 -1.27 0.05 0.00 -0.52 0.00 0.00 57.07 55.32 3ihk s TYR 200 Cb 0.00 -1.15 -0.01 0.00 0.38 0.00 0.00 41.96 41.18 3ihk s TYR 200 CO 0.00 -0.30 -0.18 0.08 -1.52 0.00 0.00 175.55 173.64 3ihk s VAL 201 N -3.23 1.45 -0.27 -3.49 1.01 0.16 -3.34 120.40 112.69 3ihk s VAL 201 Ca 0.25 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 3ihk s VAL 201 Cb 0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3ihk s VAL 201 CO 0.15 0.42 0.23 -0.69 0.00 0.00 0.00 175.10 175.21 3ihk s VAL 202 N -0.13 5.28 -0.31 2.92 1.01 -1.26 -0.78 120.40 127.13 3ihk s VAL 202 Ca -0.00 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 3ihk s VAL 202 Cb -0.10 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.74 3ihk s VAL 202 CO 0.01 0.23 0.06 -0.69 0.00 0.00 0.00 175.10 174.72 3ihk s VAL 203 N 1.79 3.62 -0.19 2.92 1.01 -0.86 -4.40 120.40 124.29 3ihk s VAL 203 Ca 0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 3ihk s VAL 203 Cb -0.16 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3ihk s VAL 203 CO 0.10 -0.04 -0.05 -0.63 0.00 0.00 0.00 175.10 174.48 3ihk s ILE 204 N 1.40 3.50 -0.06 2.22 1.01 -0.77 -0.41 121.20 128.09 3ihk s ILE 204 Ca -0.01 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3ihk s ILE 204 Cb -0.18 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3ihk s ILE 204 CO 0.01 0.46 -0.13 -1.10 0.00 0.00 0.00 174.94 174.18 3ihk s GLN 205 N 0.97 2.63 0.25 2.79 -0.21 -0.24 0.19 119.66 126.03 3ihk s GLN 205 Ca -0.00 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.73 3ihk s GLN 205 Cb -0.15 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3ihk s GLN 205 CO 0.01 0.59 0.18 0.95 -2.12 0.00 0.00 175.29 174.90 3ihk s THR 206 N -0.64 0.02 0.20 -0.19 -4.23 0.10 -1.16 115.64 109.75 3ihk s THR 206 Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3ihk s THR 206 Cb -0.11 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3ihk s THR 206 CO 0.01 0.00 0.07 -1.59 -0.54 0.00 0.00 174.62 172.57 3ihk s LYS 207 N -3.89 1.19 0.00 3.99 -2.85 -1.05 0.12 119.74 117.24 3ihk s LYS 207 Ca 0.39 -1.61 0.16 0.00 -1.00 0.00 0.00 55.97 53.91 3ihk s LYS 207 Cb 0.05 -0.05 0.41 0.00 -2.06 0.00 0.00 37.83 36.18 3ihk s LYS 207 CO 0.18 -0.26 1.33 -0.25 0.10 0.00 0.00 175.35 176.44 3ihk n ASP 208 N -0.29 3.23 0.00 0.03 8.00 -1.26 -4.89 116.55 121.37 3ihk n ASP 208 Ca -0.02 -1.96 0.04 0.00 0.71 0.00 0.00 54.79 53.56 3ihk n ASP 208 Cb 0.65 -0.29 0.26 0.00 -0.02 0.00 0.00 41.12 41.71 3ihk n ASP 208 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35