#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 1.79 -4.71 1.04 4.77 -1.26 -4.94 117.00 113.70 1n8j n LEU 2 Ca 0.00 -0.71 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1n8j n LEU 2 Cb 0.00 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1n8j n LEU 2 CO 0.00 0.35 0.99 0.00 -1.33 0.00 0.00 177.39 177.41 1n8j n ILE 3 N 0.40 1.67 -2.65 -0.08 0.13 -1.26 -1.74 119.36 115.83 1n8j n ILE 3 Ca 0.17 -0.42 -0.20 0.00 -1.10 0.00 0.00 62.75 61.20 1n8j n ILE 3 Cb 0.37 -1.64 0.01 0.00 -0.84 0.00 0.00 39.64 37.53 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 1.18 -5.74 -4.44 9.51 4.05 0.93 -4.97 115.26 115.79 1n8j n ASN 4 Ca 0.06 -0.13 -0.23 0.00 0.45 0.00 0.00 54.58 54.73 1n8j n ASN 4 Cb 0.35 -4.68 -0.10 0.00 1.23 0.00 0.00 39.78 36.59 1n8j n ASN 4 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n8j s THR 5 N -3.06 2.25 -0.03 -0.44 -4.23 -0.71 -4.85 115.64 104.58 1n8j s THR 5 Ca 0.13 -2.34 -0.22 0.00 -1.18 0.00 0.00 61.69 58.08 1n8j s THR 5 Cb -0.06 -2.25 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1n8j s THR 5 CO 0.16 -0.44 0.65 -0.75 -0.54 0.00 0.00 174.62 173.70 1n8j s LYS 6 N -3.56 4.40 0.73 3.99 2.20 -1.26 -1.18 119.74 125.06 1n8j s LYS 6 Ca 0.28 0.82 -0.15 0.00 -0.36 0.00 0.00 55.97 56.56 1n8j s LYS 6 Cb -0.03 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1n8j s LYS 6 CO 0.13 0.22 1.22 0.96 -0.36 0.00 0.00 175.35 177.52 1n8j s ILE 7 N 0.26 2.26 0.29 5.43 -4.36 -0.25 -4.99 121.20 119.84 1n8j s ILE 7 Ca 0.34 0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.81 1n8j s ILE 7 Cb -0.18 -2.73 -0.05 0.00 1.25 0.00 0.00 42.46 40.75 1n8j s ILE 7 CO 0.18 -0.07 0.57 -0.54 0.24 0.00 0.00 174.94 175.32 1n8j s LYS 8 N -3.87 3.65 0.62 0.37 1.02 -1.26 -5.05 119.74 115.22 1n8j s LYS 8 Ca 0.75 0.04 -0.19 0.00 0.02 0.00 0.00 55.97 56.60 1n8j s LYS 8 Cb -0.30 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1n8j s LYS 8 CO 0.45 0.20 1.30 -1.25 -0.92 0.00 0.00 175.35 175.14 1n8j s PRO 9 N -3.54 2.70 0.22 -1.68 0.04 -1.26 -4.81 135.00 126.67 1n8j s PRO 9 Ca 0.44 2.09 -0.20 0.00 0.04 0.00 0.00 61.00 63.37 1n8j s PRO 9 Cb -0.11 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1n8j s PRO 9 CO 0.30 -1.49 0.60 -0.59 0.04 0.00 0.00 177.00 175.86 1n8j s PHE 10 N -1.39 -0.21 -0.23 0.56 -0.12 -1.26 -4.95 117.98 110.38 1n8j s PHE 10 Ca 0.80 -0.14 -0.04 0.00 -0.05 0.00 0.00 56.93 57.50 1n8j s PHE 10 Cb -0.38 0.53 0.12 0.00 -0.63 0.00 0.00 43.02 42.66 1n8j s PHE 10 CO 0.41 -1.01 0.40 0.21 -0.05 0.00 0.00 175.22 175.18 1n8j s LYS 11 N -3.87 0.35 0.06 1.99 2.20 -1.26 -2.97 119.74 116.24 1n8j s LYS 11 Ca 0.09 0.73 0.01 0.00 -0.36 0.00 0.00 55.97 56.44 1n8j s LYS 11 Cb -0.03 -0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1n8j s LYS 11 CO -0.01 -0.51 -0.06 -0.80 -0.36 0.00 0.00 175.35 173.62 1n8j s ASN 12 N 2.58 0.81 0.20 1.43 -0.87 -0.27 -4.99 114.94 113.83 1n8j s ASN 12 Ca 0.08 -0.81 -0.15 0.00 -1.57 0.00 0.00 52.86 50.41 1n8j s ASN 12 Cb -0.14 0.10 -0.08 0.00 -0.02 0.00 0.00 41.25 41.11 1n8j s ASN 12 CO -0.15 -0.39 0.62 -1.10 -2.57 0.00 0.00 177.10 173.51 1n8j s GLN 13 N -2.88 4.04 0.14 -0.60 -1.52 -1.26 -0.79 119.66 116.79 1n8j s GLN 13 Ca 0.01 0.60 -0.01 0.00 -1.95 0.00 0.00 55.36 54.01 1n8j s GLN 13 Cb -0.01 -2.82 -0.04 0.00 -0.22 0.00 0.00 33.01 29.92 1n8j s GLN 13 CO -0.04 0.40 0.06 0.00 -0.25 0.00 0.00 175.29 175.46 1n8j s ALA 14 N -1.59 0.93 -0.12 6.09 0.00 0.70 -1.42 121.76 126.36 1n8j s ALA 14 Ca 0.42 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1n8j s ALA 14 Cb -0.14 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1n8j s ALA 14 CO 0.20 -0.49 -0.14 0.12 0.00 0.00 0.00 175.76 175.44 1n8j s PHE 15 N -4.04 2.77 -0.21 0.00 5.36 -0.25 -1.49 117.98 120.12 1n8j s PHE 15 Ca 0.26 -0.62 -0.06 0.00 -0.96 0.00 0.00 56.93 55.55 1n8j s PHE 15 Cb 0.07 -1.80 0.10 0.00 -0.34 0.00 0.00 43.02 41.05 1n8j s PHE 15 CO 0.03 -0.18 0.41 0.21 -1.46 0.00 0.00 175.22 174.23 1n8j s LYS 16 N 0.21 0.32 -1.13 10.12 2.20 -0.08 -0.61 119.74 130.77 1n8j s LYS 16 Ca -0.09 0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 56.17 1n8j s LYS 16 Cb -0.15 0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1n8j s LYS 16 CO 0.05 -0.33 0.67 0.09 -0.36 0.00 0.00 175.35 175.47 1n8j n ASN 17 N 5.38 -4.30 0.00 1.43 3.02 -1.26 -1.82 115.26 117.72 1n8j n ASN 17 Ca -0.07 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1n8j n ASN 17 Cb 0.50 -1.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1n8j n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n8j n GLY 18 N -2.00 0.60 3.16 7.41 0.00 -1.26 -5.02 105.19 108.08 1n8j n GLY 18 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1n8j n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8j s GLU 19 N -0.12 0.73 -0.18 1.61 -1.05 -0.76 -5.13 118.70 113.80 1n8j s GLU 19 Ca 0.00 -0.89 -0.16 0.00 -0.15 0.00 0.00 54.97 53.77 1n8j s GLU 19 Cb 0.00 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1n8j s GLU 19 CO 0.00 -0.21 0.39 -0.06 0.95 0.00 0.00 175.26 176.34 1n8j s PHE 20 N -3.37 3.41 0.25 4.83 0.08 -1.26 -0.90 117.98 121.01 1n8j s PHE 20 Ca 0.01 0.66 0.04 0.00 0.12 0.00 0.00 56.93 57.76 1n8j s PHE 20 Cb 0.03 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 1n8j s PHE 20 CO -0.08 0.06 -0.00 0.96 -0.10 0.00 0.00 175.22 176.06 1n8j s ILE 21 N 1.06 1.10 -0.12 0.64 -4.36 -0.56 -4.96 121.20 114.01 1n8j s ILE 21 Ca 0.20 -2.04 -0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1n8j s ILE 21 Cb -0.14 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.13 1n8j s ILE 21 CO 0.08 -0.28 -0.06 -0.70 0.24 0.00 0.00 174.94 174.22 1n8j s GLU 22 N -3.85 3.28 0.00 0.37 2.12 -1.26 -0.21 118.70 119.15 1n8j s GLU 22 Ca 0.30 -0.54 0.08 0.00 0.36 0.00 0.00 54.97 55.17 1n8j s GLU 22 Cb 0.06 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 1n8j s GLU 22 CO 0.10 0.41 -0.24 0.08 -0.54 0.00 0.00 175.26 175.07 1n8j s VAL 23 N -0.12 2.23 0.27 3.70 1.01 0.03 -4.97 120.40 122.54 1n8j s VAL 23 Ca 0.02 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1n8j s VAL 23 Cb -0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1n8j s VAL 23 CO 0.03 0.50 0.17 0.42 0.00 0.00 0.00 175.10 176.21 1n8j s THR 24 N -0.71 0.16 0.58 3.92 -4.23 -1.26 -1.12 115.64 112.98 1n8j s THR 24 Ca 0.11 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 59.00 1n8j s THR 24 Cb -0.10 -2.51 0.40 0.00 1.34 0.00 0.00 72.50 71.63 1n8j s THR 24 CO 0.01 0.00 2.28 1.05 -0.54 0.00 0.00 174.62 177.42 1n8j h GLU 25 N 2.36 0.00 -0.49 3.99 9.09 -1.85 -1.74 114.58 125.94 1n8j h GLU 25 Ca -0.33 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.07 1n8j h GLU 25 Cb 1.25 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 1n8j h GLU 25 CO 0.50 0.01 0.25 0.87 0.05 0.00 0.00 179.01 180.69 1n8j h LYS 26 N 0.00 0.68 0.00 1.06 6.56 -1.95 -2.10 116.57 120.82 1n8j h LYS 26 Ca -0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1n8j h LYS 26 Cb 0.08 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1n8j h LYS 26 CO 0.00 0.52 0.00 -0.44 -2.06 0.00 0.00 179.45 177.47 1n8j h ASP 27 N 0.69 0.00 0.47 0.86 3.32 -1.72 -2.76 116.42 117.28 1n8j h ASP 27 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1n8j h ASP 27 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1n8j h ASP 27 CO -0.03 0.00 -1.15 0.35 -1.72 0.00 0.00 179.24 176.70 1n8j n THR 28 N -2.48 0.22 -1.72 0.35 -2.24 -0.79 -4.87 114.28 102.74 1n8j n THR 28 Ca 0.01 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 1n8j n THR 28 Cb 0.20 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 1n8j n THR 28 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8j n GLU 29 N -2.11 2.64 -0.96 -0.78 1.02 -1.04 -1.64 120.64 117.77 1n8j n GLU 29 Ca 0.01 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1n8j n GLU 29 Cb 0.47 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 2.98 0.71 3.34 0.62 0.00 -0.59 -5.01 105.19 107.24 1n8j n GLY 30 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1n8j n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j s ARG 31 N -0.18 1.32 0.12 1.61 0.52 -0.65 -4.81 118.95 116.87 1n8j s ARG 31 Ca 0.00 -1.54 -0.22 0.00 -0.52 0.00 0.00 55.73 53.45 1n8j s ARG 31 Cb 0.00 -1.18 -0.07 0.00 0.52 0.00 0.00 34.95 34.21 1n8j s ARG 31 CO 0.00 0.21 0.66 -1.58 0.02 0.00 0.00 175.30 174.61 1n8j s TRP 32 N -2.72 3.85 0.03 -0.53 0.52 -1.16 -2.55 118.94 116.39 1n8j s TRP 32 Ca 0.21 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.78 1n8j s TRP 32 Cb -0.02 -2.62 -0.02 0.00 -1.15 0.00 0.00 33.47 29.66 1n8j s TRP 32 CO 0.07 0.55 -0.07 -1.12 0.02 0.00 0.00 176.95 176.41 1n8j s SER 33 N -1.14 0.72 -0.15 2.95 0.01 0.19 -0.98 113.70 115.30 1n8j s SER 33 Ca 0.32 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1n8j s SER 33 Cb -0.21 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1n8j s SER 33 CO 0.22 -0.20 -0.18 -0.69 0.41 0.00 0.00 173.24 172.80 1n8j s VAL 34 N -1.30 1.81 -0.36 3.43 1.01 -0.13 -0.12 120.40 124.74 1n8j s VAL 34 Ca -0.10 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1n8j s VAL 34 Cb -0.09 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1n8j s VAL 34 CO 0.00 0.50 0.22 -0.36 0.00 0.00 0.00 175.10 175.46 1n8j s PHE 35 N 1.20 3.22 -0.58 5.22 0.40 -0.16 -0.93 117.98 126.35 1n8j s PHE 35 Ca 0.01 -0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1n8j s PHE 35 Cb -0.14 -2.45 0.15 0.00 0.51 0.00 0.00 43.02 41.09 1n8j s PHE 35 CO -0.08 -0.53 0.46 0.12 0.70 0.00 0.00 175.22 175.88 1n8j s PHE 36 N 1.62 3.49 0.24 0.36 5.36 0.13 -1.31 117.98 127.87 1n8j s PHE 36 Ca 0.04 -2.08 -0.21 0.00 -0.96 0.00 0.00 56.93 53.72 1n8j s PHE 36 Cb -0.18 -3.50 -0.09 0.00 -0.34 0.00 0.00 43.02 38.91 1n8j s PHE 36 CO 0.08 -0.96 0.77 -0.06 -1.46 0.00 0.00 175.22 173.59 1n8j s PHE 37 N 0.80 3.68 0.03 10.12 0.40 0.24 -0.73 117.98 132.52 1n8j s PHE 37 Ca 0.11 1.48 -0.08 0.00 -0.60 0.00 0.00 56.93 57.84 1n8j s PHE 37 Cb -0.22 -2.69 -0.00 0.00 0.51 0.00 0.00 43.02 40.62 1n8j s PHE 37 CO -0.03 0.33 0.16 1.52 0.70 0.00 0.00 175.22 177.90 1n8j s TYR 38 N -1.51 0.09 0.07 0.36 -0.85 -0.76 -2.88 117.35 111.88 1n8j s TYR 38 Ca 0.44 -0.32 -0.28 0.00 -0.52 0.00 0.00 57.07 56.39 1n8j s TYR 38 Cb -0.18 -0.06 -0.17 0.00 0.38 0.00 0.00 41.96 41.93 1n8j s TYR 38 CO 0.22 -0.40 1.63 -1.35 -1.52 0.00 0.00 175.55 174.13 1n8j h PRO 39 N 3.60 -0.47 -2.04 -3.49 0.11 -1.77 -3.40 132.00 124.54 1n8j h PRO 39 Ca -0.32 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1n8j h PRO 39 Cb 1.19 0.11 -0.19 0.00 0.11 0.00 0.00 31.00 32.22 1n8j h PRO 39 CO 0.48 -0.29 0.25 0.00 -0.21 0.00 0.00 178.00 178.24 1n8j s ALA 40 N -5.96 -1.78 0.73 -0.75 0.00 -1.26 -4.27 121.76 108.47 1n8j s ALA 40 Ca -0.15 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 1n8j s ALA 40 Cb 0.04 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.19 1n8j s ALA 40 CO 0.63 -0.41 1.12 -0.51 0.00 0.00 0.00 175.76 176.59 1n8j s ASP 41 N -1.36 4.60 -0.61 0.00 1.11 -1.26 -3.49 116.67 115.66 1n8j s ASP 41 Ca -0.08 1.98 0.00 0.00 0.18 0.00 0.00 52.55 54.63 1n8j s ASP 41 Cb -0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.44 1n8j s ASP 41 CO 0.06 -1.97 0.00 0.49 1.18 0.00 0.00 175.17 174.93 1n8j n PHE 42 N -3.02 0.00 -1.11 4.23 3.01 -1.26 -5.00 117.46 114.32 1n8j n PHE 42 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1n8j n PHE 42 Cb 0.52 -1.87 0.00 0.00 -0.01 0.00 0.00 39.48 38.12 1n8j n PHE 42 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n8j n THR 43 N -2.41 0.00 -0.04 4.37 -2.24 -1.23 -5.10 114.28 107.64 1n8j n THR 43 Ca -0.06 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.67 1n8j n THR 43 Cb 0.40 -1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.53 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.08 4.78 3.72 -1.26 -4.52 117.46 120.10 1n8j n PHE 44 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1n8j n PHE 44 Cb 0.00 -0.27 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 1n8j n PHE 44 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1n8j h VAL 45 N -0.55 1.20 -0.63 -4.37 2.07 -1.98 -3.32 116.25 108.68 1n8j h VAL 45 Ca 0.00 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 66.97 1n8j h VAL 45 Cb 0.55 1.14 -0.12 0.00 -1.52 0.00 0.00 31.29 31.35 1n8j h VAL 45 CO 0.00 0.21 -0.35 0.28 0.02 0.00 0.00 177.57 177.73 1n8j h SER 46 N 0.25 -1.24 -1.01 0.57 0.02 -1.90 -1.58 113.55 108.67 1n8j h SER 46 Ca 0.08 0.24 0.08 0.00 -0.84 0.00 0.00 61.79 61.35 1n8j h SER 46 Cb 0.25 0.61 -0.07 0.00 0.14 0.00 0.00 62.40 63.33 1n8j h SER 46 CO -0.00 -0.31 0.65 1.55 -1.14 0.00 0.00 176.83 177.58 1n8j h PRO 47 N -0.16 1.10 -0.12 3.45 0.13 -1.79 -0.06 132.00 134.55 1n8j h PRO 47 Ca 0.24 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 1n8j h PRO 47 Cb 0.56 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1n8j h PRO 47 CO -0.71 0.73 -0.25 1.79 -0.23 0.00 0.00 178.00 179.32 1n8j h THR 48 N 1.13 1.24 -0.05 1.56 1.35 -1.42 0.22 112.91 116.93 1n8j h THR 48 Ca 0.45 -1.10 -0.15 0.00 -0.55 0.00 0.00 66.41 65.06 1n8j h THR 48 Cb 0.26 1.43 0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1n8j h THR 48 CO -0.20 0.33 -0.56 -0.33 -0.25 0.00 0.00 175.52 174.52 1n8j h GLU 49 N 0.20 0.46 -0.65 4.72 5.08 -0.90 -0.69 114.58 122.80 1n8j h GLU 49 Ca 0.03 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1n8j h GLU 49 Cb 0.56 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1n8j h GLU 49 CO 0.04 1.08 0.29 -0.07 -1.00 0.00 0.00 179.01 179.35 1n8j h LEU 50 N 0.00 0.85 -0.38 1.33 3.38 -0.84 -0.72 115.31 118.94 1n8j h LEU 50 Ca -0.06 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1n8j h LEU 50 Cb 1.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1n8j h LEU 50 CO 0.11 0.74 -0.28 1.23 0.09 0.00 0.00 178.44 180.33 1n8j h GLY 51 N 1.01 0.93 0.98 0.83 0.00 -0.53 -1.50 103.07 104.78 1n8j h GLY 51 Ca 0.22 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.67 1n8j h GLY 51 CO -0.03 0.82 0.65 -1.80 0.00 0.00 0.00 176.54 176.18 1n8j h ASP 52 N 0.66 1.11 -0.36 0.19 -0.00 -0.62 -0.99 116.42 116.41 1n8j h ASP 52 Ca 0.07 -0.02 -0.12 0.00 -0.00 0.00 0.00 57.03 56.96 1n8j h ASP 52 Cb 0.85 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.90 1n8j h ASP 52 CO 0.07 0.80 -0.23 0.58 -0.00 0.00 0.00 179.24 180.46 1n8j h VAL 53 N 1.31 1.27 -0.06 2.25 2.07 -0.92 -2.74 116.25 119.44 1n8j h VAL 53 Ca 0.37 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1n8j h VAL 53 Cb -0.12 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1n8j h VAL 53 CO -0.09 0.46 -0.10 0.00 0.02 0.00 0.00 177.57 177.86 1n8j h ALA 54 N 1.00 1.73 0.00 1.67 0.00 -0.37 -0.96 119.26 122.32 1n8j h ALA 54 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1n8j h ALA 54 Cb 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1n8j h ALA 54 CO 0.06 0.21 -0.34 -0.44 0.00 0.00 0.00 179.25 178.74 1n8j h ASP 55 N 0.08 0.00 -0.55 0.00 3.32 -0.91 -2.73 116.42 115.64 1n8j h ASP 55 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1n8j h ASP 55 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1n8j h ASP 55 CO 0.01 0.34 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 1n8j n HIS 56 N -3.99 0.72 -0.25 4.55 8.25 -0.48 -4.61 115.22 119.41 1n8j n HIS 56 Ca -0.02 -0.39 -0.07 0.00 -0.26 0.00 0.00 57.72 56.98 1n8j n HIS 56 Cb 0.39 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.54 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 4.14 1.12 -0.85 4.41 3.20 -0.92 -0.96 116.97 127.11 1n8j h TYR 57 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1n8j h TYR 57 Cb 0.96 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1n8j h TYR 57 CO 0.36 0.90 0.54 0.93 -1.64 0.00 0.00 178.16 179.25 1n8j h GLU 58 N 1.02 1.13 -0.30 1.82 5.08 -1.81 0.80 114.58 122.31 1n8j h GLU 58 Ca 0.22 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 1n8j h GLU 58 Cb 0.30 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1n8j h GLU 58 CO -0.01 0.77 -0.34 1.49 -1.00 0.00 0.00 179.01 179.92 1n8j h GLU 59 N 1.16 0.77 -0.75 2.33 4.81 -1.81 -1.91 114.58 119.17 1n8j h GLU 59 Ca 0.31 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1n8j h GLU 59 Cb -0.10 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1n8j h GLU 59 CO -0.06 1.05 0.44 -0.07 -0.73 0.00 0.00 179.01 179.64 1n8j h LEU 60 N 0.53 0.91 -1.06 1.64 3.38 -0.67 -1.64 115.31 118.39 1n8j h LEU 60 Ca 0.04 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1n8j h LEU 60 Cb 0.93 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1n8j h LEU 60 CO 0.08 0.72 -0.10 1.56 0.09 0.00 0.00 178.44 180.79 1n8j h GLN 61 N 1.03 0.55 -0.15 1.13 1.08 -0.77 0.12 115.11 118.10 1n8j h GLN 61 Ca 0.27 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1n8j h GLN 61 Cb -0.01 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1n8j h GLN 61 CO -0.05 0.65 -0.17 0.87 -0.95 0.00 0.00 178.83 179.18 1n8j h LYS 62 N 0.51 0.24 -0.04 1.46 1.57 -0.63 -0.48 116.57 119.19 1n8j h LYS 62 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1n8j h LYS 62 Cb 0.48 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1n8j h LYS 62 CO 0.03 0.41 0.00 1.28 -0.57 0.00 0.00 179.45 180.60 1n8j n LEU 63 N -4.24 0.55 -1.39 2.94 4.77 -0.69 -4.89 117.00 114.06 1n8j n LEU 63 Ca -0.01 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.66 1n8j n LEU 63 Cb 0.30 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1n8j n LEU 63 CO 0.38 0.11 -0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1n8j n GLY 64 N 0.95 0.17 3.32 -0.72 0.00 -0.19 -4.92 105.19 103.81 1n8j n GLY 64 Ca 0.17 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1n8j n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8j s VAL 65 N -2.79 3.42 0.25 1.61 1.01 0.33 -2.96 120.40 121.27 1n8j s VAL 65 Ca 0.12 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 1n8j s VAL 65 Cb -0.05 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1n8j s VAL 65 CO 0.15 0.42 0.54 -1.81 0.00 0.00 0.00 175.10 174.40 1n8j s ASP 66 N 1.45 6.54 -0.03 3.32 1.01 -0.15 -3.80 116.67 125.01 1n8j s ASP 66 Ca 0.05 0.81 0.06 0.00 0.71 0.00 0.00 52.55 54.18 1n8j s ASP 66 Cb -0.14 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.59 1n8j s ASP 66 CO -0.03 -0.12 -0.20 -0.69 0.21 0.00 0.00 175.17 174.35 1n8j s VAL 67 N -1.92 1.59 -0.20 -1.27 1.01 -1.26 -0.96 120.40 117.39 1n8j s VAL 67 Ca 0.45 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1n8j s VAL 67 Cb -0.11 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1n8j s VAL 67 CO 0.25 0.45 0.00 -0.31 0.00 0.00 0.00 175.10 175.49 1n8j s TYR 68 N -0.27 1.42 0.37 5.22 1.51 -0.11 -3.43 117.35 122.06 1n8j s TYR 68 Ca 0.03 -1.07 -0.19 0.00 -1.01 0.00 0.00 57.07 54.82 1n8j s TYR 68 Cb -0.10 -1.18 -0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1n8j s TYR 68 CO 0.01 -0.64 0.85 -1.54 -1.11 0.00 0.00 175.55 173.12 1n8j s SER 69 N 1.72 6.92 -0.04 2.29 1.04 -0.66 -0.69 113.70 124.27 1n8j s SER 69 Ca -0.02 1.53 -0.02 0.00 0.48 0.00 0.00 55.95 57.92 1n8j s SER 69 Cb -0.17 -2.47 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1n8j s SER 69 CO -0.07 -0.25 0.09 -0.69 0.98 0.00 0.00 173.24 173.30 1n8j s VAL 70 N -2.02 -0.05 0.17 5.02 1.01 0.09 -0.12 120.40 124.50 1n8j s VAL 70 Ca 0.57 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1n8j s VAL 70 Cb -0.11 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1n8j s VAL 70 CO 0.16 0.07 0.22 -0.94 0.00 0.00 0.00 175.10 174.61 1n8j s SER 71 N 1.00 0.11 0.00 3.32 1.04 -1.18 -1.82 113.70 116.17 1n8j s SER 71 Ca -0.08 -1.05 0.04 0.00 0.48 0.00 0.00 55.95 55.34 1n8j s SER 71 Cb -0.11 0.41 0.14 0.00 0.10 0.00 0.00 66.02 66.56 1n8j s SER 71 CO -0.04 -0.87 1.10 0.35 0.98 0.00 0.00 173.24 174.76 1n8j n THR 72 N -0.21 0.10 -1.94 2.02 -2.24 -1.26 -1.44 114.28 109.31 1n8j n THR 72 Ca -0.05 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1n8j n THR 72 Cb 0.63 0.04 0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -1.04 5.36 0.74 3.42 1.01 -1.26 -3.34 116.67 121.56 1n8j s ASP 73 Ca 0.07 1.05 -0.11 0.00 0.71 0.00 0.00 52.55 54.27 1n8j s ASP 73 Cb 0.04 -1.84 0.05 0.00 1.01 0.00 0.00 42.92 42.18 1n8j s ASP 73 CO 0.05 -1.37 1.11 0.42 0.21 0.00 0.00 175.17 175.59 1n8j s THR 74 N -3.35 2.69 0.23 -1.27 -4.23 -1.26 -2.49 115.64 105.96 1n8j s THR 74 Ca 0.58 0.14 0.25 0.00 -1.18 0.00 0.00 61.69 61.49 1n8j s THR 74 Cb -0.11 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.77 1n8j s THR 74 CO 0.51 -0.26 1.91 1.12 -0.54 0.00 0.00 174.62 177.35 1n8j h HIS 75 N -0.80 0.00 -0.16 3.99 2.07 -1.88 -2.72 115.15 115.65 1n8j h HIS 75 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1n8j h HIS 75 Cb 1.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.27 1n8j h HIS 75 CO 0.39 0.20 0.08 0.74 -3.07 0.00 0.00 177.93 176.27 1n8j h PHE 76 N 0.00 0.23 -0.79 6.12 0.05 -1.96 -1.83 116.94 118.75 1n8j h PHE 76 Ca -0.00 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1n8j h PHE 76 Cb 0.61 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.45 1n8j h PHE 76 CO 0.00 0.26 0.51 1.15 -0.18 0.00 0.00 178.31 180.04 1n8j h THR 77 N 0.13 1.21 -0.65 -1.55 2.02 -1.87 -1.81 112.91 110.39 1n8j h THR 77 Ca 0.05 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.84 1n8j h THR 77 Cb 0.11 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1n8j h THR 77 CO -0.01 0.21 0.42 0.45 0.37 0.00 0.00 175.52 176.96 1n8j h HIS 78 N 1.08 0.80 -0.38 3.16 3.86 -1.31 0.71 115.15 123.06 1n8j h HIS 78 Ca 0.29 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.54 1n8j h HIS 78 Cb -0.09 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.08 1n8j h HIS 78 CO -0.01 0.48 0.20 -0.22 0.86 0.00 0.00 177.93 179.24 1n8j h LYS 79 N 0.85 0.39 -0.03 2.45 1.63 -0.87 0.87 116.57 121.86 1n8j h LYS 79 Ca 0.25 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1n8j h LYS 79 Cb -0.05 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1n8j h LYS 79 CO -0.07 0.26 -0.33 0.00 -3.45 0.00 0.00 179.45 175.86 1n8j h ALA 80 N 1.19 1.39 -0.06 5.00 0.00 -0.76 -2.35 119.26 123.67 1n8j h ALA 80 Ca 0.16 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.51 1n8j h ALA 80 Cb 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.79 1n8j h ALA 80 CO -0.10 0.45 -0.93 2.35 0.00 0.00 0.00 179.25 181.01 1n8j h TRP 81 N 0.06 1.02 -0.10 0.00 7.01 -0.22 -2.33 115.95 121.39 1n8j h TRP 81 Ca 0.01 -0.51 -0.00 0.00 2.11 0.00 0.00 58.89 60.49 1n8j h TRP 81 Cb 0.61 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 1n8j h TRP 81 CO 0.00 1.35 0.04 1.25 -2.79 0.00 0.00 178.44 178.29 1n8j h HIS 82 N 0.44 0.13 0.00 2.65 2.76 -0.58 -1.06 115.15 119.49 1n8j h HIS 82 Ca -0.10 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.85 1n8j h HIS 82 Cb 1.57 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.46 1n8j h HIS 82 CO 0.09 0.10 -1.21 0.77 -1.30 0.00 0.00 177.93 176.38 1n8j h SER 83 N 0.13 0.00 0.00 3.26 0.02 -1.28 -3.31 113.55 112.37 1n8j h SER 83 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1n8j h SER 83 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1n8j h SER 83 CO -0.00 0.90 -1.29 -1.54 -1.14 0.00 0.00 176.83 173.76 1n8j n SER 84 N -3.19 0.71 -4.37 3.07 3.41 -0.89 -4.92 113.62 107.44 1n8j n SER 84 Ca -0.06 -0.67 -0.33 0.00 -0.26 0.00 0.00 58.87 57.54 1n8j n SER 84 Cb 0.94 1.31 -0.14 0.00 -0.26 0.00 0.00 64.21 66.06 1n8j n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n8j s SER 85 N -3.42 4.04 0.28 4.04 0.15 -0.43 -5.01 113.70 113.36 1n8j s SER 85 Ca 0.03 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.41 1n8j s SER 85 Cb 0.15 -1.62 0.42 0.00 -1.71 0.00 0.00 66.02 63.26 1n8j s SER 85 CO 0.86 0.15 1.68 -0.33 1.20 0.00 0.00 173.24 176.80 1n8j h GLU 86 N 6.79 0.27 0.09 5.44 5.08 -1.89 -1.28 114.58 129.08 1n8j h GLU 86 Ca -0.27 -0.13 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 1n8j h GLU 86 Cb 1.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1n8j h GLU 86 CO 0.56 0.65 -1.15 0.00 -1.00 0.00 0.00 179.01 178.07 1n8j h THR 87 N 0.23 1.51 -0.15 1.13 1.03 -1.95 -3.20 112.91 111.51 1n8j h THR 87 Ca 0.02 -2.98 -0.11 0.00 -0.01 0.00 0.00 66.41 63.33 1n8j h THR 87 Cb 0.84 2.83 -0.01 0.00 -1.07 0.00 0.00 68.15 70.73 1n8j h THR 87 CO 0.07 0.87 -0.37 0.40 -0.01 0.00 0.00 175.52 176.48 1n8j h ILE 88 N 0.09 1.29 -0.34 0.00 1.08 -1.84 -3.06 117.51 114.73 1n8j h ILE 88 Ca -0.11 -1.45 0.10 0.00 -0.39 0.00 0.00 64.86 63.01 1n8j h ILE 88 Cb 1.86 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 37.19 1n8j h ILE 88 CO 0.19 0.44 0.26 0.00 -0.69 0.00 0.00 178.15 178.35 1n8j h ALA 89 N 1.34 2.24 -0.00 1.87 0.00 -1.22 -1.18 119.26 122.31 1n8j h ALA 89 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n8j h ALA 89 Cb 0.78 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n8j h ALA 89 CO 0.06 -0.44 -0.02 0.36 0.00 0.00 0.00 179.25 179.21 1n8j n LYS 90 N -4.28 1.04 -2.27 0.00 2.85 -1.15 -4.82 118.16 109.53 1n8j n LYS 90 Ca 0.05 -0.24 -0.42 0.00 -1.05 0.00 0.00 58.31 56.65 1n8j n LYS 90 Cb 0.44 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.30 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -2.12 3.82 -0.37 0.58 1.01 -0.45 -4.88 121.20 118.79 1n8j s ILE 91 Ca 0.41 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.29 1n8j s ILE 91 Cb 0.21 -3.76 0.10 0.00 0.01 0.00 0.00 42.46 39.02 1n8j s ILE 91 CO 0.39 -0.01 1.03 0.29 0.00 0.00 0.00 174.94 176.64 1n8j n LYS 92 N 5.42 2.47 -3.44 2.79 4.76 -1.26 -4.73 118.16 124.17 1n8j n LYS 92 Ca 0.13 -1.57 -0.21 0.00 -2.87 0.00 0.00 58.31 53.79 1n8j n LYS 92 Cb 0.44 -1.10 -0.00 0.00 -1.84 0.00 0.00 35.03 32.53 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1n8j s TYR 93 N -0.91 2.25 0.11 2.13 -0.85 -1.26 -4.74 117.35 114.08 1n8j s TYR 93 Ca 0.08 -0.60 -0.31 0.00 -0.52 0.00 0.00 57.07 55.73 1n8j s TYR 93 Cb 0.04 -2.16 -0.07 0.00 0.38 0.00 0.00 41.96 40.15 1n8j s TYR 93 CO 0.06 -0.44 1.24 0.00 -1.52 0.00 0.00 175.55 174.89 1n8j s ALA 94 N -2.55 3.45 -0.46 9.51 0.00 -1.22 -4.69 121.76 125.79 1n8j s ALA 94 Ca 0.49 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1n8j s ALA 94 Cb -0.05 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1n8j s ALA 94 CO 0.29 -0.46 0.34 -1.64 0.00 0.00 0.00 175.76 174.30 1n8j s MET 95 N 0.70 2.74 0.11 0.00 1.00 0.22 -1.66 119.30 122.42 1n8j s MET 95 Ca 0.58 -1.50 -0.27 0.00 0.00 0.00 0.00 55.69 54.50 1n8j s MET 95 Cb -0.32 -3.97 -0.07 0.00 0.00 0.00 0.00 34.83 30.47 1n8j s MET 95 CO 0.32 -1.06 0.83 0.42 0.00 0.00 0.00 175.02 175.53 1n8j s ILE 96 N 1.50 4.51 -0.19 2.53 1.01 0.83 -1.09 121.20 130.30 1n8j s ILE 96 Ca 0.04 1.80 -0.10 0.00 0.00 0.00 0.00 60.65 62.38 1n8j s ILE 96 Cb -0.25 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1n8j s ILE 96 CO 0.03 0.41 0.14 -0.83 0.00 0.00 0.00 174.94 174.70 1n8j s GLY 97 N -0.45 2.06 -0.44 6.18 0.00 -0.51 -3.10 107.32 111.06 1n8j s GLY 97 Ca 0.40 -0.67 0.10 0.00 0.00 0.00 0.00 44.72 44.55 1n8j s GLY 97 CO 0.26 0.14 0.79 1.34 0.00 0.00 0.00 173.10 175.63 1n8j n ASP 98 N 3.44 1.96 0.27 1.64 2.03 -0.52 -4.20 116.55 121.17 1n8j n ASP 98 Ca -0.16 -3.21 0.11 0.00 0.52 0.00 0.00 54.79 52.05 1n8j n ASP 98 Cb 0.52 -0.60 0.74 0.00 -0.72 0.00 0.00 41.12 41.05 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 3.03 0.00 0.00 -0.67 0.13 -1.70 -0.96 132.00 131.83 1n8j h PRO 99 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n8j h PRO 99 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1n8j h PRO 99 CO 0.60 0.06 0.00 1.79 -0.23 0.00 0.00 178.00 180.22 1n8j h THR 100 N 0.00 0.00 0.00 1.56 1.35 -1.92 -3.47 112.91 110.43 1n8j h THR 100 Ca -0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1n8j h THR 100 Cb 0.14 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1n8j h THR 100 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1n8j n GLY 101 N 1.05 1.38 0.26 5.82 0.00 -0.36 -4.93 105.19 108.41 1n8j n GLY 101 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 1n8j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8j h ALA 102 N 0.00 0.89 -0.49 4.61 0.00 -1.91 -0.16 119.26 122.20 1n8j h ALA 102 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1n8j h ALA 102 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1n8j h ALA 102 CO 0.00 0.07 0.12 1.25 0.00 0.00 0.00 179.25 180.69 1n8j h LEU 103 N 0.71 0.74 -0.73 0.00 6.46 -1.91 -0.48 115.31 120.09 1n8j h LEU 103 Ca 0.29 -0.23 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 1n8j h LEU 103 Cb 0.15 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1n8j h LEU 103 CO -0.17 0.78 0.31 0.74 -0.62 0.00 0.00 178.44 179.49 1n8j h THR 104 N 0.67 1.25 0.00 1.05 2.02 -1.83 -2.62 112.91 113.44 1n8j h THR 104 Ca 0.15 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1n8j h THR 104 Cb 0.33 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1n8j h THR 104 CO 0.00 0.31 -0.64 0.03 0.37 0.00 0.00 175.52 175.59 1n8j h ARG 105 N 1.04 0.00 -0.75 6.66 3.08 -0.87 0.11 114.38 123.66 1n8j h ARG 105 Ca 0.25 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1n8j h ARG 105 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1n8j h ARG 105 CO -0.02 0.64 0.49 -0.91 -1.07 0.00 0.00 179.97 179.10 1n8j h ASN 106 N 0.00 0.81 -0.43 7.04 2.35 -0.73 0.61 115.58 125.23 1n8j h ASN 106 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n8j h ASN 106 Cb 1.15 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.33 1n8j h ASN 106 CO 0.08 0.57 0.00 0.49 -1.65 0.00 0.00 177.43 176.92 1n8j n PHE 107 N -4.44 1.03 -4.16 1.19 3.72 -1.02 -4.87 117.46 108.91 1n8j n PHE 107 Ca 0.09 -0.40 -0.33 0.00 -0.05 0.00 0.00 57.45 56.76 1n8j n PHE 107 Cb 0.09 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.40 1n8j n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8j n ASP 108 N 0.66 -2.10 -0.41 4.37 2.03 0.21 -4.85 116.55 116.45 1n8j n ASP 108 Ca 0.17 -1.04 0.07 0.00 0.52 0.00 0.00 54.79 54.52 1n8j n ASP 108 Cb 0.65 -2.73 0.14 0.00 -0.72 0.00 0.00 41.12 38.46 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.76 1.80 -4.73 1.67 4.05 -0.01 -5.01 115.26 110.27 1n8j n ASN 109 Ca -0.06 -3.22 -0.37 0.00 0.45 0.00 0.00 54.58 51.38 1n8j n ASN 109 Cb 0.56 -0.44 -0.07 0.00 1.23 0.00 0.00 39.78 41.07 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -2.54 4.28 -0.71 1.20 1.75 -1.25 -0.58 119.30 121.44 1n8j s MET 110 Ca 0.31 0.20 -0.23 0.00 -1.25 0.00 0.00 55.69 54.73 1n8j s MET 110 Cb 0.30 -3.43 0.07 0.00 2.84 0.00 0.00 34.83 34.61 1n8j s MET 110 CO -0.02 0.22 1.04 1.03 -0.65 0.00 0.00 175.02 176.63 1n8j s ARG 111 N 0.51 3.19 0.31 4.11 0.52 0.03 -4.90 118.95 122.71 1n8j s ARG 111 Ca 0.19 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1n8j s ARG 111 Cb -0.14 -4.33 0.59 0.00 0.52 0.00 0.00 34.95 31.59 1n8j s ARG 111 CO 0.06 -1.87 1.89 0.93 0.02 0.00 0.00 175.30 176.32 1n8j h GLU 112 N 9.57 0.93 0.00 3.54 4.39 -1.95 -0.48 114.58 130.57 1n8j h GLU 112 Ca -0.22 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1n8j h GLU 112 Cb 1.06 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1n8j h GLU 112 CO 1.20 0.61 0.00 -0.40 -1.16 0.00 0.00 179.01 179.26 1n8j n ASP 113 N -4.53 0.00 -0.00 1.42 5.68 -1.26 -3.47 116.55 114.39 1n8j n ASP 113 Ca 0.16 -0.01 0.01 0.00 -0.50 0.00 0.00 54.79 54.45 1n8j n ASP 113 Cb 0.29 -0.30 -0.02 0.00 -1.14 0.00 0.00 41.12 39.94 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n8j n GLU 114 N -1.30 0.66 -1.16 0.11 1.02 -0.80 -5.00 120.64 114.17 1n8j n GLU 114 Ca 0.11 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.17 1n8j n GLU 114 Cb 0.19 -1.08 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 2.40 0.79 3.39 0.62 0.00 -0.25 -5.02 105.19 107.12 1n8j n GLY 115 Ca -0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -1.22 2.34 0.49 0.99 1.43 -1.22 -4.80 118.68 116.70 1n8j s LEU 116 Ca 0.00 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 1n8j s LEU 116 Cb 0.00 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.85 1n8j s LEU 116 CO 0.00 0.20 1.04 0.00 0.23 0.00 0.00 176.35 177.82 1n8j s ALA 117 N -1.01 2.87 0.82 4.21 0.00 -1.26 -0.79 121.76 126.60 1n8j s ALA 117 Ca 0.14 0.58 -0.12 0.00 0.00 0.00 0.00 51.96 52.56 1n8j s ALA 117 Cb -0.10 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.86 1n8j s ALA 117 CO 0.06 -0.33 1.13 -0.51 0.00 0.00 0.00 175.76 176.10 1n8j s ASP 118 N -2.07 4.38 -1.25 0.00 1.11 0.25 -3.05 116.67 116.04 1n8j s ASP 118 Ca 0.67 1.05 -0.19 0.00 0.18 0.00 0.00 52.55 54.25 1n8j s ASP 118 Cb -0.16 -1.69 0.05 0.00 1.07 0.00 0.00 42.92 42.19 1n8j s ASP 118 CO 0.21 -2.01 1.73 -0.60 1.18 0.00 0.00 175.17 175.68 1n8j s ARG 119 N -5.33 3.73 0.03 8.23 3.52 -1.26 -3.89 118.95 123.99 1n8j s ARG 119 Ca 0.61 -1.77 0.05 0.00 -0.13 0.00 0.00 55.73 54.50 1n8j s ARG 119 Cb -0.13 -5.47 -0.02 0.00 -1.56 0.00 0.00 34.95 27.76 1n8j s ARG 119 CO 0.52 -2.49 -0.15 0.00 -0.81 0.00 0.00 175.30 172.38 1n8j s ALA 120 N 5.26 1.24 -0.07 6.12 0.00 -1.14 -1.59 121.76 131.59 1n8j s ALA 120 Ca 0.55 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.73 1n8j s ALA 120 Cb 0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n8j s ALA 120 CO 0.06 0.25 -0.23 0.99 0.00 0.00 0.00 175.76 176.84 1n8j s THR 121 N -0.79 1.88 -0.09 0.00 2.01 0.57 -0.59 115.64 118.63 1n8j s THR 121 Ca 0.03 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.10 1n8j s THR 121 Cb -0.08 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.83 1n8j s THR 121 CO 0.01 0.52 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.94 1n8j s PHE 122 N 0.05 1.94 -0.23 4.92 0.40 -0.43 -1.45 117.98 123.18 1n8j s PHE 122 Ca -0.08 -0.83 -0.11 0.00 -0.60 0.00 0.00 56.93 55.31 1n8j s PHE 122 Cb -0.15 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 1n8j s PHE 122 CO 0.05 -0.40 0.18 0.08 0.70 0.00 0.00 175.22 175.83 1n8j s VAL 123 N 0.73 5.35 -0.11 -0.44 1.01 -0.47 -0.99 120.40 125.48 1n8j s VAL 123 Ca -0.12 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1n8j s VAL 123 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1n8j s VAL 123 CO 0.03 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 1n8j s VAL 124 N 0.99 1.97 0.92 2.92 1.01 0.83 -0.97 120.40 128.07 1n8j s VAL 124 Ca 0.09 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1n8j s VAL 124 Cb -0.13 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.70 1n8j s VAL 124 CO 0.04 0.54 1.27 1.51 0.00 0.00 0.00 175.10 178.46 1n8j s ASP 125 N 0.53 3.42 0.61 3.32 1.47 0.43 -0.64 116.67 125.81 1n8j s ASP 125 Ca -0.15 0.27 0.31 0.00 1.18 0.00 0.00 52.55 54.16 1n8j s ASP 125 Cb -0.17 -0.41 1.70 0.00 -0.34 0.00 0.00 42.92 43.70 1n8j s ASP 125 CO 0.05 -2.54 2.05 -0.65 0.68 0.00 0.00 175.17 174.77 1n8j h PRO 126 N -1.46 0.00 -0.56 2.11 0.11 -1.81 0.12 132.00 130.52 1n8j h PRO 126 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n8j h PRO 126 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n8j h PRO 126 CO 0.42 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.25 1n8j n GLN 127 N -3.53 2.34 -1.03 1.05 3.00 -1.26 -1.54 117.38 116.40 1n8j n GLN 127 Ca 0.02 -2.01 -0.01 0.00 -0.01 0.00 0.00 57.00 54.99 1n8j n GLN 127 Cb 0.37 -1.45 -0.00 0.00 0.00 0.00 0.00 30.24 29.16 1n8j n GLN 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n8j n GLY 128 N 1.35 0.49 3.77 1.08 0.00 0.41 -4.92 105.19 107.37 1n8j n GLY 128 Ca 0.19 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -1.99 5.08 -0.30 -0.61 -1.09 -1.25 -1.09 121.20 119.95 1n8j s ILE 129 Ca 0.00 0.95 -0.29 0.00 -2.23 0.00 0.00 60.65 59.08 1n8j s ILE 129 Cb 0.00 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1n8j s ILE 129 CO 0.00 0.43 1.20 -0.63 -1.23 0.00 0.00 174.94 174.71 1n8j s ILE 130 N -0.10 4.31 -0.54 2.92 1.01 -0.32 -0.43 121.20 128.04 1n8j s ILE 130 Ca 0.26 1.50 0.20 0.00 0.00 0.00 0.00 60.65 62.60 1n8j s ILE 130 Cb -0.16 -4.26 -0.26 0.00 0.01 0.00 0.00 42.46 37.79 1n8j s ILE 130 CO 0.12 -0.46 0.67 0.00 0.00 0.00 0.00 174.94 175.27 1n8j n GLN 131 N 7.08 0.55 -3.57 2.79 1.13 -0.14 -0.05 117.38 125.16 1n8j n GLN 131 Ca 0.13 -0.08 -0.16 0.00 -1.94 0.00 0.00 57.00 54.95 1n8j n GLN 131 Cb 0.47 -1.45 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -3.10 -1.76 0.01 -1.58 0.00 -1.24 -4.93 121.76 109.17 1n8j s ALA 132 Ca 0.01 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1n8j s ALA 132 Cb 0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1n8j s ALA 132 CO 0.82 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 176.62 1n8j s ILE 133 N -0.47 0.14 -0.09 0.00 1.01 -1.26 -1.36 121.20 119.17 1n8j s ILE 133 Ca -0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 1n8j s ILE 133 Cb -0.02 -0.22 0.04 0.00 0.01 0.00 0.00 42.46 42.27 1n8j s ILE 133 CO 0.06 -0.27 0.20 -0.70 0.00 0.00 0.00 174.94 174.23 1n8j s GLU 134 N -0.89 0.16 -0.01 2.79 2.12 -0.53 -4.98 118.70 117.37 1n8j s GLU 134 Ca -0.09 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.71 1n8j s GLU 134 Cb -0.06 -0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 1n8j s GLU 134 CO -0.00 -0.15 -0.06 0.08 -0.54 0.00 0.00 175.26 174.59 1n8j s VAL 135 N 1.12 0.48 0.10 3.70 1.01 -1.26 -0.32 120.40 125.24 1n8j s VAL 135 Ca -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1n8j s VAL 135 Cb -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1n8j s VAL 135 CO -0.07 0.15 -0.07 0.42 0.00 0.00 0.00 175.10 175.53 1n8j s THR 136 N -0.01 0.74 0.92 3.92 -4.23 -0.62 -5.02 115.64 111.34 1n8j s THR 136 Ca 0.01 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 1n8j s THR 136 Cb -0.04 -1.66 0.15 0.00 1.34 0.00 0.00 72.50 72.29 1n8j s THR 136 CO -0.00 -0.84 1.11 0.00 -0.54 0.00 0.00 174.62 174.35 1n8j s ALA 137 N -3.51 1.37 0.27 3.99 0.00 -1.26 -4.11 121.76 118.51 1n8j s ALA 137 Ca 0.11 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.37 1n8j s ALA 137 Cb 0.04 -3.36 0.51 0.00 0.00 0.00 0.00 23.12 20.32 1n8j s ALA 137 CO -0.04 -2.67 1.58 1.49 0.00 0.00 0.00 175.76 176.12 1n8j h GLU 138 N -1.79 0.02 -0.51 0.00 4.57 -2.01 -1.88 114.58 112.98 1n8j h GLU 138 Ca -0.46 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1n8j h GLU 138 Cb 1.27 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1n8j h GLU 138 CO 0.46 0.01 0.00 0.41 -1.18 0.00 0.00 179.01 178.71 1n8j n GLY 139 N -1.53 1.34 3.17 1.92 0.00 -1.26 -4.82 105.19 104.00 1n8j n GLY 139 Ca 0.17 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1n8j n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 140 N -1.54 2.65 0.51 -0.61 1.01 -0.71 -5.07 121.20 117.45 1n8j s ILE 140 Ca 0.30 -1.12 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 1n8j s ILE 140 Cb 0.17 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 1n8j s ILE 140 CO 0.18 0.20 1.02 -0.83 0.00 0.00 0.00 174.94 175.51 1n8j s GLY 141 N 1.28 2.28 0.80 6.18 0.00 -1.26 -4.57 107.32 112.03 1n8j s GLY 141 Ca -0.01 0.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.07 1n8j s GLY 141 CO -0.06 0.72 1.10 0.50 0.00 0.00 0.00 173.10 175.37 1n8j s ARG 142 N -3.65 1.34 -0.13 2.90 0.52 -1.26 -5.09 118.95 113.57 1n8j s ARG 142 Ca 0.63 -0.88 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1n8j s ARG 142 Cb -0.14 -2.17 0.04 0.00 0.52 0.00 0.00 34.95 33.20 1n8j s ARG 142 CO 0.26 -1.76 0.00 0.34 0.02 0.00 0.00 175.30 174.16 1n8j s ASP 143 N -4.79 2.27 0.52 0.23 -1.08 -1.26 -4.93 116.67 107.64 1n8j s ASP 143 Ca 0.69 -0.45 0.17 0.00 -0.52 0.00 0.00 52.55 52.44 1n8j s ASP 143 Cb -0.05 -0.57 1.28 0.00 -1.46 0.00 0.00 42.92 42.12 1n8j s ASP 143 CO 0.47 -0.23 2.13 0.00 0.52 0.00 0.00 175.17 178.05 1n8j h ALA 144 N 8.27 2.07 -0.30 3.66 0.00 -1.93 -1.73 119.26 129.29 1n8j h ALA 144 Ca -0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1n8j h ALA 144 Cb 1.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1n8j h ALA 144 CO 0.31 -0.09 0.02 0.66 0.00 0.00 0.00 179.25 180.16 1n8j h SER 145 N 0.01 0.41 -0.27 0.00 4.64 -1.96 -0.33 113.55 116.05 1n8j h SER 145 Ca 0.04 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1n8j h SER 145 Cb 0.15 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1n8j h SER 145 CO -0.00 0.45 -0.47 -0.78 -0.87 0.00 0.00 176.83 175.16 1n8j h ASP 146 N 0.43 0.91 -0.33 4.97 3.58 -1.76 -2.57 116.42 121.66 1n8j h ASP 146 Ca 0.10 -0.45 0.02 0.00 0.42 0.00 0.00 57.03 57.12 1n8j h ASP 146 Cb 0.25 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 1n8j h ASP 146 CO 0.00 1.23 0.17 0.25 -2.88 0.00 0.00 179.24 178.01 1n8j h LEU 147 N 0.66 0.24 -0.95 2.28 5.85 -1.08 -2.60 115.31 119.72 1n8j h LEU 147 Ca 0.04 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1n8j h LEU 147 Cb 1.05 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1n8j h LEU 147 CO 0.11 0.18 0.63 -0.07 -0.34 0.00 0.00 178.44 178.95 1n8j h LEU 148 N 0.34 1.10 -0.81 2.25 3.38 -1.02 0.22 115.31 120.77 1n8j h LEU 148 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1n8j h LEU 148 Cb 0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1n8j h LEU 148 CO -0.10 0.80 0.43 -0.09 0.09 0.00 0.00 178.44 179.58 1n8j h ARG 149 N 1.29 1.14 -0.25 1.13 2.43 -1.13 -0.08 114.38 118.92 1n8j h ARG 149 Ca 0.35 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 59.22 1n8j h ARG 149 Cb -0.14 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.18 1n8j h ARG 149 CO -0.07 0.85 -0.49 0.87 -1.51 0.00 0.00 179.97 179.61 1n8j h LYS 150 N 1.13 0.67 -0.30 0.20 1.57 -1.09 -1.81 116.57 116.95 1n8j h LYS 150 Ca 0.28 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1n8j h LYS 150 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1n8j h LYS 150 CO -0.04 1.01 0.13 0.82 -0.57 0.00 0.00 179.45 180.80 1n8j h ILE 151 N 0.53 1.17 -0.81 1.86 2.04 -0.47 0.20 117.51 122.02 1n8j h ILE 151 Ca 0.02 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1n8j h ILE 151 Cb 1.05 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1n8j h ILE 151 CO 0.10 0.17 0.33 0.11 0.00 0.00 0.00 178.15 178.87 1n8j h LYS 152 N 0.34 1.21 -0.43 2.37 1.57 -0.93 0.49 116.57 121.18 1n8j h LYS 152 Ca 0.10 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1n8j h LYS 152 Cb 0.15 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1n8j h LYS 152 CO -0.01 0.97 -0.01 0.00 -0.57 0.00 0.00 179.45 179.82 1n8j h ALA 153 N 1.18 0.58 -0.71 3.86 0.00 -1.14 -0.82 119.26 122.21 1n8j h ALA 153 Ca 0.27 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n8j h ALA 153 Cb 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1n8j h ALA 153 CO -0.02 0.38 0.46 0.00 0.00 0.00 0.00 179.25 180.06 1n8j h ALA 154 N 0.89 0.92 -0.02 0.00 0.00 -0.50 -1.56 119.26 118.99 1n8j h ALA 154 Ca 0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1n8j h ALA 154 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1n8j h ALA 154 CO 0.02 0.26 -0.44 1.96 0.00 0.00 0.00 179.25 181.06 1n8j h GLN 155 N 0.91 0.04 -0.10 0.00 4.20 -0.62 -2.54 115.11 117.00 1n8j h GLN 155 Ca 0.27 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 1n8j h GLN 155 Cb -0.03 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1n8j h GLN 155 CO -0.09 0.48 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.61 1n8j h TYR 156 N 0.04 0.22 -0.64 2.96 3.20 -0.33 -2.53 116.97 119.89 1n8j h TYR 156 Ca -0.00 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1n8j h TYR 156 Cb 0.80 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1n8j h TYR 156 CO 0.00 0.50 0.21 -0.39 -1.64 0.00 0.00 178.16 176.85 1n8j h VAL 157 N -0.13 1.23 -0.59 1.81 -1.51 -1.24 0.82 116.25 116.64 1n8j h VAL 157 Ca 0.03 -0.79 -0.00 0.00 -1.23 0.00 0.00 66.70 64.70 1n8j h VAL 157 Cb 0.43 0.52 -0.03 0.00 -2.13 0.00 0.00 31.29 30.08 1n8j h VAL 157 CO 0.01 0.31 0.36 0.00 -1.23 0.00 0.00 177.57 177.02 1n8j h ALA 158 N 1.30 1.52 0.00 5.19 0.00 -1.39 -2.20 119.26 123.69 1n8j h ALA 158 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1n8j h ALA 158 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n8j h ALA 158 CO -0.01 0.42 -0.57 0.00 0.00 0.00 0.00 179.25 179.09 1n8j h ALA 159 N 1.59 0.68 -2.14 0.00 0.00 -0.96 -3.39 119.26 115.04 1n8j h ALA 159 Ca 0.21 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.54 1n8j h ALA 159 Cb -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.34 1n8j h ALA 159 CO -0.04 0.00 -0.77 0.72 0.00 0.00 0.00 179.25 179.15 1n8j n HIS 160 N -2.57 2.21 -1.87 0.00 -0.00 0.23 -5.08 115.22 108.14 1n8j n HIS 160 Ca 0.02 -3.95 -0.42 0.00 -0.00 0.00 0.00 57.72 53.38 1n8j n HIS 160 Cb 0.50 -0.48 -0.03 0.00 -0.00 0.00 0.00 29.99 29.98 1n8j n HIS 160 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1n8j s PRO 161 N -1.99 4.18 0.00 -0.41 0.04 -1.17 -1.70 135.00 133.96 1n8j s PRO 161 Ca 0.38 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.84 1n8j s PRO 161 Cb 0.15 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1n8j s PRO 161 CO -0.05 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1n8j n GLY 162 N 3.96 1.54 3.37 0.56 0.00 -1.26 -5.09 105.19 108.27 1n8j n GLY 162 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.09 1.34 0.08 1.61 2.02 -0.69 -3.89 118.70 119.09 1n8j s GLU 163 Ca 0.00 -1.32 0.05 0.00 0.02 0.00 0.00 54.97 53.72 1n8j s GLU 163 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 1n8j s GLU 163 CO 0.00 0.42 -0.13 0.14 0.02 0.00 0.00 175.26 175.71 1n8j s VAL 164 N -1.13 1.08 -0.28 2.63 -7.23 -0.27 -4.79 120.40 110.41 1n8j s VAL 164 Ca 0.13 -1.43 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1n8j s VAL 164 Cb -0.10 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.62 1n8j s VAL 164 CO 0.06 -0.33 0.29 0.00 -0.31 0.00 0.00 175.10 174.80 1n8j s PRO 166 N 1.92 0.01 0.35 0.00 0.04 -1.26 -4.90 135.00 131.17 1n8j s PRO 166 Ca 0.11 -0.02 -0.27 0.00 0.04 0.00 0.00 61.00 60.86 1n8j s PRO 166 Cb -0.16 -1.74 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 1n8j s PRO 166 CO 0.10 -2.90 1.07 0.00 0.04 0.00 0.00 177.00 175.32 1n8j n ALA 167 N -4.19 0.27 -1.08 8.56 0.00 -1.26 -1.94 120.51 120.87 1n8j n ALA 167 Ca 0.11 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.85 1n8j n ALA 167 Cb 0.59 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.94 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N 0.48 -1.74 -1.69 0.00 5.02 -1.26 -4.92 118.16 114.05 1n8j n LYS 168 Ca 0.08 0.56 -0.45 0.00 -2.02 0.00 0.00 58.31 56.49 1n8j n LYS 168 Cb 0.36 -4.91 -0.04 0.00 -0.02 0.00 0.00 35.03 30.42 1n8j n LYS 168 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 1n8j n TRP 169 N -2.15 2.46 -4.41 2.13 -0.00 -0.82 -5.00 117.44 109.65 1n8j n TRP 169 Ca -0.03 0.10 -0.24 0.00 -0.00 0.00 0.00 57.50 57.33 1n8j n TRP 169 Cb 0.48 -2.62 -0.11 0.00 -0.00 0.00 0.00 31.31 29.05 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N 1.69 1.50 0.14 5.87 1.02 -1.26 -4.89 119.74 123.81 1n8j s LYS 170 Ca 0.80 -1.57 -0.33 0.00 0.02 0.00 0.00 55.97 54.89 1n8j s LYS 170 Cb -0.60 -1.66 -0.12 0.00 -0.52 0.00 0.00 37.83 34.92 1n8j s LYS 170 CO 0.38 0.34 1.71 0.39 -0.92 0.00 0.00 175.35 177.24 1n8j n GLU 171 N -0.01 2.45 0.00 1.68 1.02 -1.26 -2.12 120.64 122.40 1n8j n GLU 171 Ca -0.10 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1n8j n GLU 171 Cb 0.58 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 3.84 1.80 3.89 0.62 0.00 -1.26 -5.09 105.19 109.00 1n8j n GLY 172 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1n8j n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 173 N -0.05 2.11 0.41 1.61 2.02 -0.90 -5.02 118.70 118.88 1n8j s GLU 173 Ca 0.00 0.20 -0.24 0.00 0.02 0.00 0.00 54.97 54.95 1n8j s GLU 173 Cb 0.00 -1.96 -0.08 0.00 0.10 0.00 0.00 34.13 32.19 1n8j s GLU 173 CO 0.00 -1.51 1.14 0.00 0.02 0.00 0.00 175.26 174.90 1n8j s ALA 174 N -3.51 3.10 0.28 5.21 0.00 -1.26 -4.94 121.76 120.64 1n8j s ALA 174 Ca 0.61 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1n8j s ALA 174 Cb -0.11 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1n8j s ALA 174 CO 0.50 -0.48 0.16 0.25 0.00 0.00 0.00 175.76 176.19 1n8j n THR 175 N -0.08 0.00 -4.36 0.00 -2.24 -1.26 -4.72 114.28 101.62 1n8j n THR 175 Ca 0.05 -1.18 -0.29 0.00 -2.27 0.00 0.00 64.05 60.36 1n8j n THR 175 Cb 0.48 -0.11 -0.12 0.00 -2.10 0.00 0.00 70.33 68.47 1n8j n THR 175 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8j s LEU 176 N 0.00 2.49 -0.50 3.22 1.43 -0.67 -4.97 118.68 119.68 1n8j s LEU 176 Ca 0.12 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1n8j s LEU 176 Cb -0.01 -1.37 0.13 0.00 0.03 0.00 0.00 46.19 44.97 1n8j s LEU 176 CO 0.07 0.18 0.25 0.00 0.23 0.00 0.00 176.35 177.08 1n8j s ALA 177 N -1.10 3.19 0.19 4.21 0.00 -1.26 -1.12 121.76 125.88 1n8j s ALA 177 Ca 0.16 -3.18 -0.32 0.00 0.00 0.00 0.00 51.96 48.61 1n8j s ALA 177 Cb -0.10 -2.13 -0.15 0.00 0.00 0.00 0.00 23.12 20.74 1n8j s ALA 177 CO 0.08 -2.00 1.23 -2.30 0.00 0.00 0.00 175.76 172.77 1n8j n PRO 178 N 3.21 1.40 -3.61 0.00 -0.02 -1.25 -4.93 135.00 129.80 1n8j n PRO 178 Ca 0.05 0.50 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1n8j n PRO 178 Cb 0.33 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N 0.08 -0.33 0.17 2.55 1.04 -1.26 -5.04 113.70 110.91 1n8j s SER 179 Ca 0.72 -0.20 -0.14 0.00 0.48 0.00 0.00 55.95 56.81 1n8j s SER 179 Cb -0.80 0.50 0.10 0.00 0.10 0.00 0.00 66.02 65.93 1n8j s SER 179 CO 0.51 -0.86 1.79 0.25 0.98 0.00 0.00 173.24 175.91 1n8j h LEU 180 N 2.00 0.38 -2.27 2.42 6.46 -1.98 -2.43 115.31 119.88 1n8j h LEU 180 Ca -0.25 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1n8j h LEU 180 Cb 1.25 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1n8j h LEU 180 CO 0.30 0.27 0.04 -0.78 -0.62 0.00 0.00 178.44 177.64 1n8j h ASP 181 N 0.50 0.00 0.88 1.25 1.82 -1.98 -1.26 116.42 117.64 1n8j h ASP 181 Ca 0.20 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 1n8j h ASP 181 Cb 0.09 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1n8j h ASP 181 CO -0.13 0.00 -0.35 -0.11 -1.61 0.00 0.00 179.24 177.04 1n8j n LEU 182 N -4.08 0.50 -4.59 2.28 0.00 -0.93 -4.75 117.00 105.44 1n8j n LEU 182 Ca -0.02 0.28 -0.45 0.00 0.00 0.00 0.00 56.01 55.82 1n8j n LEU 182 Cb 0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 43.42 43.22 1n8j n LEU 182 CO 0.30 -0.01 1.79 0.52 0.00 0.00 0.00 177.39 179.99 1n8j n VAL 183 N -1.82 0.39 -0.07 1.96 0.31 -0.48 -1.65 118.33 116.98 1n8j n VAL 183 Ca 0.05 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1n8j n VAL 183 Cb 0.38 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 30.99 1n8j n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n8j n GLY 184 N 5.64 1.09 0.08 2.92 0.00 -1.26 -4.96 105.19 108.69 1n8j n GLY 184 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 1n8j n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n8j h LYS 185 N 3.39 0.08 0.00 1.61 1.57 -1.61 -3.56 116.57 118.05 1n8j h LYS 185 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1n8j h LYS 185 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n8j h LYS 185 CO 0.00 0.78 0.00 -0.89 -0.57 0.00 0.00 179.45 178.77