#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 3.12 -4.67 2.46 4.77 -1.26 -4.97 117.00 116.44 1n8j n LEU 2 Ca 0.00 -1.18 -0.45 0.00 -0.03 0.00 0.00 56.01 54.36 1n8j n LEU 2 Cb 0.00 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1n8j n LEU 2 CO 0.00 0.58 1.02 0.00 -1.33 0.00 0.00 177.39 177.66 1n8j n ILE 3 N 1.37 0.93 -1.66 -0.08 0.13 -1.26 -1.58 119.36 117.21 1n8j n ILE 3 Ca 0.15 -0.23 -0.13 0.00 -1.10 0.00 0.00 62.75 61.44 1n8j n ILE 3 Cb 0.59 -1.49 -0.04 0.00 -0.84 0.00 0.00 39.64 37.86 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 2.18 -4.41 -4.64 9.51 4.05 0.25 -4.98 115.26 117.23 1n8j n ASN 4 Ca 0.12 0.21 -0.24 0.00 0.45 0.00 0.00 54.58 55.13 1n8j n ASN 4 Cb 0.31 -3.22 -0.08 0.00 1.23 0.00 0.00 39.78 38.02 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 -2.54 3.05 0.04 -0.44 -4.23 -0.61 -4.83 115.64 106.07 1n8j s THR 5 Ca 0.00 -1.94 -0.19 0.00 -1.18 0.00 0.00 61.69 58.39 1n8j s THR 5 Cb 0.00 -2.80 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 1n8j s THR 5 CO 0.00 -0.29 0.54 -0.75 -0.54 0.00 0.00 174.62 173.57 1n8j s LYS 6 N -3.70 4.17 0.68 3.99 2.20 -1.26 -1.26 119.74 124.57 1n8j s LYS 6 Ca 0.33 0.66 -0.16 0.00 -0.36 0.00 0.00 55.97 56.44 1n8j s LYS 6 Cb -0.04 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1n8j s LYS 6 CO 0.20 0.58 1.20 0.96 -0.36 0.00 0.00 175.35 177.93 1n8j s ILE 7 N -0.87 2.51 0.39 5.43 -4.36 0.10 -4.98 121.20 119.42 1n8j s ILE 7 Ca 0.28 0.27 -0.05 0.00 -0.26 0.00 0.00 60.65 60.89 1n8j s ILE 7 Cb -0.18 -2.89 -0.05 0.00 1.25 0.00 0.00 42.46 40.59 1n8j s ILE 7 CO 0.17 -0.12 0.67 -0.54 0.24 0.00 0.00 174.94 175.36 1n8j s LYS 8 N -3.79 3.61 0.57 0.37 1.02 -1.26 -5.05 119.74 115.21 1n8j s LYS 8 Ca 0.74 0.10 -0.20 0.00 0.02 0.00 0.00 55.97 56.64 1n8j s LYS 8 Cb -0.28 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 1n8j s LYS 8 CO 0.42 0.01 1.23 -1.25 -0.92 0.00 0.00 175.35 174.84 1n8j s PRO 9 N -4.14 3.11 0.15 -1.68 0.04 -1.26 -4.84 135.00 126.38 1n8j s PRO 9 Ca 0.46 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 1n8j s PRO 9 Cb -0.10 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1n8j s PRO 9 CO 0.36 -1.11 0.47 -0.59 0.04 0.00 0.00 177.00 176.17 1n8j s PHE 10 N -1.53 -0.22 -0.21 0.56 -0.12 -1.26 -4.98 117.98 110.22 1n8j s PHE 10 Ca 0.75 -0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.50 1n8j s PHE 10 Cb -0.32 0.35 0.10 0.00 -0.63 0.00 0.00 43.02 42.52 1n8j s PHE 10 CO 0.36 -0.80 0.26 0.21 -0.05 0.00 0.00 175.22 175.21 1n8j s LYS 11 N -3.82 0.23 0.05 1.99 2.20 -1.26 -3.10 119.74 116.03 1n8j s LYS 11 Ca 0.05 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1n8j s LYS 11 Cb 0.00 -0.92 -0.03 0.00 -1.51 0.00 0.00 37.83 35.37 1n8j s LYS 11 CO -0.09 -0.62 -0.05 -0.80 -0.36 0.00 0.00 175.35 173.44 1n8j s ASN 12 N 2.39 0.61 0.15 1.43 -0.87 -0.04 -4.99 114.94 113.62 1n8j s ASN 12 Ca 0.08 -0.79 -0.15 0.00 -1.57 0.00 0.00 52.86 50.43 1n8j s ASN 12 Cb -0.15 0.12 -0.07 0.00 -0.02 0.00 0.00 41.25 41.13 1n8j s ASN 12 CO -0.13 -0.42 0.56 -1.10 -2.57 0.00 0.00 177.10 173.44 1n8j s GLN 13 N -2.82 4.01 0.09 -0.60 -1.52 -1.26 -0.11 119.66 117.45 1n8j s GLN 13 Ca -0.01 0.53 0.00 0.00 -1.95 0.00 0.00 55.36 53.93 1n8j s GLN 13 Cb -0.01 -2.93 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 1n8j s GLN 13 CO -0.05 0.47 -0.03 0.00 -0.25 0.00 0.00 175.29 175.44 1n8j s ALA 14 N -1.46 0.80 -0.13 6.09 0.00 0.10 -1.18 121.76 125.99 1n8j s ALA 14 Ca 0.38 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 1n8j s ALA 14 Cb -0.15 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1n8j s ALA 14 CO 0.19 -0.33 -0.07 0.12 0.00 0.00 0.00 175.76 175.68 1n8j s PHE 15 N -3.80 2.95 -0.18 0.00 5.36 -0.12 -1.01 117.98 121.18 1n8j s PHE 15 Ca 0.12 -0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 55.75 1n8j s PHE 15 Cb 0.07 -1.86 0.09 0.00 -0.34 0.00 0.00 43.02 40.97 1n8j s PHE 15 CO -0.05 0.03 0.37 0.21 -1.46 0.00 0.00 175.22 174.32 1n8j s LYS 16 N 0.03 0.28 -1.22 10.12 2.20 0.86 -1.00 119.74 131.01 1n8j s LYS 16 Ca -0.01 0.92 -0.34 0.00 -0.36 0.00 0.00 55.97 56.18 1n8j s LYS 16 Cb -0.14 0.17 0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1n8j s LYS 16 CO 0.03 -0.29 0.67 0.09 -0.36 0.00 0.00 175.35 175.49 1n8j n ASN 17 N 5.38 -4.05 0.00 1.43 3.02 -1.26 -1.54 115.26 118.24 1n8j n ASN 17 Ca -0.07 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1n8j n ASN 17 Cb 0.50 -1.74 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 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 -2.09 1.44 3.17 7.41 0.00 -1.26 -5.03 105.19 108.83 1n8j n GLY 18 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.16 0.90 -0.19 1.61 -1.05 -0.59 -5.13 118.70 114.09 1n8j s GLU 19 Ca 0.00 -1.40 -0.12 0.00 -0.15 0.00 0.00 54.97 53.29 1n8j s GLU 19 Cb 0.00 -0.03 -0.05 0.00 -0.44 0.00 0.00 34.13 33.61 1n8j s GLU 19 CO 0.00 -0.13 0.24 -0.06 0.95 0.00 0.00 175.26 176.26 1n8j s PHE 20 N -3.80 3.41 0.22 4.83 0.08 -1.26 -0.10 117.98 121.36 1n8j s PHE 20 Ca 0.18 0.46 0.03 0.00 0.12 0.00 0.00 56.93 57.72 1n8j s PHE 20 Cb 0.07 -2.31 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1n8j s PHE 20 CO -0.01 0.18 -0.00 0.96 -0.10 0.00 0.00 175.22 176.25 1n8j s ILE 21 N 0.67 0.97 -0.12 0.64 -4.36 -0.18 -4.96 121.20 113.85 1n8j s ILE 21 Ca 0.13 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1n8j s ILE 21 Cb -0.13 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1n8j s ILE 21 CO 0.03 -0.35 0.01 -0.70 0.24 0.00 0.00 174.94 174.17 1n8j s GLU 22 N -3.87 3.37 -0.03 0.37 2.12 -1.26 0.01 118.70 119.42 1n8j s GLU 22 Ca 0.28 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.28 1n8j s GLU 22 Cb 0.06 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1n8j s GLU 22 CO 0.08 0.52 -0.24 0.08 -0.54 0.00 0.00 175.26 175.15 1n8j s VAL 23 N -0.35 1.93 0.27 3.70 1.01 0.85 -4.95 120.40 122.85 1n8j s VAL 23 Ca 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1n8j s VAL 23 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1n8j s VAL 23 CO 0.02 0.54 0.18 0.42 0.00 0.00 0.00 175.10 176.27 1n8j s THR 24 N -0.50 0.09 0.47 3.92 -4.23 -1.26 -0.86 115.64 113.27 1n8j s THR 24 Ca 0.07 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.88 1n8j s THR 24 Cb -0.10 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.56 1n8j s THR 24 CO -0.00 0.00 2.15 1.05 -0.54 0.00 0.00 174.62 177.27 1n8j h GLU 25 N 2.37 0.00 -0.80 3.99 9.09 -1.87 -1.73 114.58 125.63 1n8j h GLU 25 Ca -0.32 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.13 1n8j h GLU 25 Cb 1.24 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.30 1n8j h GLU 25 CO 0.48 0.07 0.53 0.87 0.05 0.00 0.00 179.01 181.00 1n8j h LYS 26 N 0.00 0.94 0.00 1.06 6.56 -1.96 -1.06 116.57 122.11 1n8j h LYS 26 Ca -0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1n8j h LYS 26 Cb 0.22 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1n8j h LYS 26 CO 0.01 0.62 0.00 -0.44 -2.06 0.00 0.00 179.45 177.58 1n8j h ASP 27 N 0.97 0.00 0.02 0.86 3.32 -1.72 -2.71 116.42 117.17 1n8j h ASP 27 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1n8j h ASP 27 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1n8j h ASP 27 CO -0.10 0.00 -1.46 0.35 -1.72 0.00 0.00 179.24 176.31 1n8j n THR 28 N -2.59 0.01 -1.71 0.35 -2.24 -0.43 -4.91 114.28 102.76 1n8j n THR 28 Ca 0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1n8j n THR 28 Cb 0.19 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.87 2.68 -0.81 -0.78 1.02 -1.02 -2.01 120.64 117.84 1n8j n GLU 29 Ca 0.00 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1n8j n GLU 29 Cb 0.44 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 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 3.76 0.70 3.13 0.62 0.00 -0.14 -5.04 105.19 108.21 1n8j n GLY 30 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.19 0.72 0.23 1.61 0.52 -0.85 -4.87 118.95 116.13 1n8j s ARG 31 Ca 0.00 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 1n8j s ARG 31 Cb 0.00 -0.15 -0.09 0.00 0.52 0.00 0.00 34.95 35.23 1n8j s ARG 31 CO 0.00 -0.02 0.94 -1.58 0.02 0.00 0.00 175.30 174.66 1n8j s TRP 32 N -3.14 3.97 0.04 -0.53 0.52 -1.20 -2.92 118.94 115.68 1n8j s TRP 32 Ca 0.06 1.91 0.04 0.00 0.02 0.00 0.00 56.10 58.12 1n8j s TRP 32 Cb 0.02 -2.99 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 1n8j s TRP 32 CO -0.04 0.44 -0.11 -1.12 0.02 0.00 0.00 176.95 176.14 1n8j s SER 33 N -1.08 1.24 -0.13 2.95 0.01 0.59 -0.87 113.70 116.42 1n8j s SER 33 Ca 0.42 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1n8j s SER 33 Cb -0.26 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1n8j s SER 33 CO 0.32 -0.05 -0.19 -0.69 0.41 0.00 0.00 173.24 173.04 1n8j s VAL 34 N -0.94 1.84 -0.36 3.43 1.01 -0.50 -0.22 120.40 124.66 1n8j s VAL 34 Ca -0.02 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1n8j s VAL 34 Cb -0.08 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.69 1n8j s VAL 34 CO 0.01 0.51 0.17 -0.36 0.00 0.00 0.00 175.10 175.43 1n8j s PHE 35 N 0.88 3.24 -0.49 5.22 0.40 -0.37 -0.95 117.98 125.91 1n8j s PHE 35 Ca -0.07 -1.11 -0.13 0.00 -0.60 0.00 0.00 56.93 55.02 1n8j s PHE 35 Cb -0.15 -2.38 0.11 0.00 0.51 0.00 0.00 43.02 41.11 1n8j s PHE 35 CO -0.02 -0.67 0.41 0.12 0.70 0.00 0.00 175.22 175.76 1n8j s PHE 36 N 1.50 3.31 0.23 0.36 5.36 0.16 -1.67 117.98 127.23 1n8j s PHE 36 Ca 0.01 -1.42 -0.10 0.00 -0.96 0.00 0.00 56.93 54.46 1n8j s PHE 36 Cb -0.19 -3.51 -0.07 0.00 -0.34 0.00 0.00 43.02 38.91 1n8j s PHE 36 CO 0.05 -0.95 0.56 -0.06 -1.46 0.00 0.00 175.22 173.36 1n8j s PHE 37 N 1.52 3.43 0.01 10.12 0.40 0.25 0.11 117.98 133.82 1n8j s PHE 37 Ca 0.04 0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 57.09 1n8j s PHE 37 Cb -0.27 -2.28 0.03 0.00 0.51 0.00 0.00 43.02 41.01 1n8j s PHE 37 CO 0.02 0.27 0.40 1.52 0.70 0.00 0.00 175.22 178.13 1n8j s TYR 38 N -1.81 -0.27 0.09 0.36 -0.85 -0.61 -3.38 117.35 110.88 1n8j s TYR 38 Ca 0.47 0.34 -0.35 0.00 -0.52 0.00 0.00 57.07 57.01 1n8j s TYR 38 Cb -0.11 0.18 -0.16 0.00 0.38 0.00 0.00 41.96 42.25 1n8j s TYR 38 CO 0.21 -0.50 1.58 -1.35 -1.52 0.00 0.00 175.55 173.97 1n8j h PRO 39 N 3.38 -0.93 -2.01 -3.49 0.11 -1.75 -3.39 132.00 123.93 1n8j h PRO 39 Ca -0.30 0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 1n8j h PRO 39 Cb 1.18 0.21 -0.19 0.00 0.11 0.00 0.00 31.00 32.31 1n8j h PRO 39 CO 0.42 -0.62 0.24 0.00 -0.21 0.00 0.00 178.00 177.83 1n8j s ALA 40 N -5.91 -1.78 0.73 -0.75 0.00 -1.26 -4.26 121.76 108.54 1n8j s ALA 40 Ca -0.18 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.96 1n8j s ALA 40 Cb 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.17 1n8j s ALA 40 CO 0.61 -0.39 1.10 -0.51 0.00 0.00 0.00 175.76 176.58 1n8j s ASP 41 N -1.29 4.67 -1.49 0.00 1.11 -1.26 -3.71 116.67 114.69 1n8j s ASP 41 Ca -0.09 1.92 -0.01 0.00 0.18 0.00 0.00 52.55 54.55 1n8j s ASP 41 Cb -0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1n8j s ASP 41 CO 0.07 -1.93 0.10 0.49 1.18 0.00 0.00 175.17 175.08 1n8j n PHE 42 N -3.10 -1.00 -2.23 4.23 3.01 -1.26 -5.00 117.46 112.11 1n8j n PHE 42 Ca 0.10 0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1n8j n PHE 42 Cb 0.52 -3.63 0.00 0.00 -0.01 0.00 0.00 39.48 36.36 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 -4.08 0.00 -0.07 4.37 -2.24 -1.24 -5.12 114.28 105.89 1n8j n THR 43 Ca -0.19 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1n8j n THR 43 Cb 0.65 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 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 -0.01 4.78 3.72 -1.26 -4.53 117.46 120.16 1n8j n PHE 44 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1n8j n PHE 44 Cb 0.00 -0.52 -0.09 0.00 -0.94 0.00 0.00 39.48 37.92 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 -0.71 1.37 -0.44 -4.37 2.07 -1.97 -3.36 116.25 108.83 1n8j h VAL 45 Ca -0.24 -1.95 0.09 0.00 0.82 0.00 0.00 66.70 65.42 1n8j h VAL 45 Cb 1.06 2.30 -0.09 0.00 -1.52 0.00 0.00 31.29 33.04 1n8j h VAL 45 CO -0.15 0.58 -0.19 0.28 0.02 0.00 0.00 177.57 178.12 1n8j h SER 46 N 0.12 -0.65 -0.62 0.57 0.02 -1.90 -2.16 113.55 108.94 1n8j h SER 46 Ca -0.06 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.16 1n8j h SER 46 Cb 1.27 0.36 -0.08 0.00 0.14 0.00 0.00 62.40 64.09 1n8j h SER 46 CO 0.12 -0.22 0.20 -0.65 -1.14 0.00 0.00 176.83 175.14 1n8j h PRO 47 N -0.10 0.35 -0.07 3.45 0.11 -1.80 0.32 132.00 134.27 1n8j h PRO 47 Ca 0.21 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1n8j h PRO 47 Cb 0.42 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1n8j h PRO 47 CO -0.50 0.23 -0.15 1.79 -0.21 0.00 0.00 178.00 179.16 1n8j h THR 48 N 0.36 1.15 -0.03 -1.15 1.35 -1.57 -0.17 112.91 112.85 1n8j h THR 48 Ca 0.32 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.49 1n8j h THR 48 Cb 0.44 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1n8j h THR 48 CO -0.35 0.20 -0.08 -0.33 -0.25 0.00 0.00 175.52 174.71 1n8j h GLU 49 N 0.10 0.10 -0.72 4.72 5.08 -0.53 -1.26 114.58 122.06 1n8j h GLU 49 Ca 0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1n8j h GLU 49 Cb 0.33 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1n8j h GLU 49 CO 0.02 0.69 0.43 -0.07 -1.00 0.00 0.00 179.01 179.08 1n8j h LEU 50 N -0.48 0.86 -0.36 1.33 3.38 -0.77 -1.52 115.31 117.74 1n8j h LEU 50 Ca -0.00 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 1n8j h LEU 50 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1n8j h LEU 50 CO 0.02 0.66 -0.33 1.23 0.09 0.00 0.00 178.44 180.11 1n8j h GLY 51 N 1.02 0.93 0.45 0.83 0.00 -1.05 -0.84 103.07 104.41 1n8j h GLY 51 Ca 0.26 -0.94 0.07 0.00 0.00 0.00 0.00 47.33 46.72 1n8j h GLY 51 CO -0.05 0.85 0.08 -1.80 0.00 0.00 0.00 176.54 175.62 1n8j h ASP 52 N 0.66 -0.00 -0.75 0.19 -0.00 -0.48 -0.24 116.42 115.79 1n8j h ASP 52 Ca 0.06 0.08 -0.06 0.00 -0.00 0.00 0.00 57.03 57.11 1n8j h ASP 52 Cb 0.91 0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 40.32 1n8j h ASP 52 CO 0.08 0.03 0.23 0.58 -0.00 0.00 0.00 179.24 180.17 1n8j h VAL 53 N 0.21 1.26 -0.83 2.25 2.07 -1.18 -2.65 116.25 117.39 1n8j h VAL 53 Ca 0.21 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1n8j h VAL 53 Cb 0.27 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1n8j h VAL 53 CO -0.28 0.36 0.47 0.00 0.02 0.00 0.00 177.57 178.14 1n8j h ALA 54 N 1.12 1.27 0.00 1.67 0.00 -0.06 -0.29 119.26 122.97 1n8j h ALA 54 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1n8j h ALA 54 Cb 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n8j h ALA 54 CO -0.01 0.61 0.00 -0.44 0.00 0.00 0.00 179.25 179.41 1n8j h ASP 55 N 1.15 0.00 -0.06 0.00 3.32 -0.72 -1.23 116.42 118.89 1n8j h ASP 55 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1n8j h ASP 55 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1n8j h ASP 55 CO -0.05 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.88 1n8j n HIS 56 N -2.69 0.06 -0.17 4.55 8.25 -0.35 -4.68 115.22 120.18 1n8j n HIS 56 Ca -0.01 -0.06 0.05 0.00 -0.26 0.00 0.00 57.72 57.43 1n8j n HIS 56 Cb 0.14 -0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.58 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 2.35 0.78 -0.22 4.41 3.20 0.16 -1.09 116.97 126.56 1n8j h TYR 57 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1n8j h TYR 57 Cb 0.53 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1n8j h TYR 57 CO 0.03 0.44 0.04 0.93 -1.64 0.00 0.00 178.16 177.97 1n8j h GLU 58 N 0.80 0.36 -0.58 1.82 4.39 -1.84 -0.79 114.58 118.75 1n8j h GLU 58 Ca 0.28 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1n8j h GLU 58 Cb 0.12 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1n8j h GLU 58 CO -0.08 0.49 0.23 1.49 -1.16 0.00 0.00 179.01 179.98 1n8j h GLU 59 N 0.18 0.84 -0.34 2.33 4.81 -1.80 -1.53 114.58 119.08 1n8j h GLU 59 Ca 0.07 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1n8j h GLU 59 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1n8j h GLU 59 CO 0.00 0.69 0.02 -0.07 -0.73 0.00 0.00 179.01 178.92 1n8j h LEU 60 N 0.83 0.57 -1.14 1.64 3.38 -0.95 -2.51 115.31 117.12 1n8j h LEU 60 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1n8j h LEU 60 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1n8j h LEU 60 CO -0.02 0.72 0.44 1.56 0.09 0.00 0.00 178.44 181.23 1n8j h GLN 61 N 0.39 1.03 0.00 1.13 1.08 -0.77 -0.37 115.11 117.61 1n8j h GLN 61 Ca 0.10 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1n8j h GLN 61 Cb 0.42 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1n8j h GLN 61 CO 0.01 0.73 -0.14 0.87 -0.95 0.00 0.00 178.83 179.36 1n8j h LYS 62 N 1.05 0.00 -0.12 1.46 1.57 -1.07 0.04 116.57 119.50 1n8j h LYS 62 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1n8j h LYS 62 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1n8j h LYS 62 CO -0.05 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1n8j n LEU 63 N -3.86 1.44 -0.72 2.94 4.77 -0.29 -4.91 117.00 116.38 1n8j n LEU 63 Ca -0.02 -0.57 -0.07 0.00 -0.03 0.00 0.00 56.01 55.31 1n8j n LEU 63 Cb 0.24 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1n8j n LEU 63 CO 0.32 0.29 -0.08 0.61 -1.33 0.00 0.00 177.39 177.19 1n8j n GLY 64 N 1.11 0.48 3.61 -0.72 0.00 0.00 -4.94 105.19 104.72 1n8j n GLY 64 Ca 0.17 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.33 4.84 0.25 1.61 1.01 -0.39 -3.24 120.40 122.16 1n8j s VAL 65 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1n8j s VAL 65 Cb 0.00 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1n8j s VAL 65 CO 0.00 0.41 0.48 -1.81 0.00 0.00 0.00 175.10 174.18 1n8j s ASP 66 N 0.74 6.42 -0.05 3.32 1.01 -0.05 -3.93 116.67 124.14 1n8j s ASP 66 Ca 0.04 0.57 0.04 0.00 0.71 0.00 0.00 52.55 53.92 1n8j s ASP 66 Cb -0.13 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1n8j s ASP 66 CO 0.02 -0.13 -0.16 -0.69 0.21 0.00 0.00 175.17 174.42 1n8j s VAL 67 N -1.99 1.37 -0.20 -1.27 1.01 -1.26 -1.42 120.40 116.64 1n8j s VAL 67 Ca 0.41 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1n8j s VAL 67 Cb -0.11 -1.19 0.06 0.00 0.00 0.00 0.00 36.38 35.14 1n8j s VAL 67 CO 0.30 0.40 -0.02 -0.31 0.00 0.00 0.00 175.10 175.46 1n8j s TYR 68 N 0.18 1.75 0.32 5.22 1.51 -0.12 -3.30 117.35 122.90 1n8j s TYR 68 Ca -0.07 -1.28 -0.19 0.00 -1.01 0.00 0.00 57.07 54.52 1n8j s TYR 68 Cb -0.12 -1.32 -0.09 0.00 -0.11 0.00 0.00 41.96 40.31 1n8j s TYR 68 CO 0.03 -0.68 0.81 -1.54 -1.11 0.00 0.00 175.55 173.05 1n8j s SER 69 N 1.61 6.97 -0.02 2.29 1.04 -0.56 -0.67 113.70 124.36 1n8j s SER 69 Ca -0.03 1.48 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1n8j s SER 69 Cb -0.17 -2.45 0.02 0.00 0.10 0.00 0.00 66.02 63.51 1n8j s SER 69 CO -0.07 -0.15 -0.00 -0.69 0.98 0.00 0.00 173.24 173.31 1n8j s VAL 70 N -1.84 0.13 0.14 5.02 1.01 0.12 -0.38 120.40 124.59 1n8j s VAL 70 Ca 0.52 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1n8j s VAL 70 Cb -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 1n8j s VAL 70 CO 0.18 0.09 0.26 -0.94 0.00 0.00 0.00 175.10 174.70 1n8j s SER 71 N 0.58 0.05 0.00 3.32 1.04 -1.19 -1.57 113.70 115.93 1n8j s SER 71 Ca -0.05 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 55.68 1n8j s SER 71 Cb -0.08 0.41 0.41 0.00 0.10 0.00 0.00 66.02 66.86 1n8j s SER 71 CO -0.01 -0.84 1.27 0.35 0.98 0.00 0.00 173.24 174.99 1n8j n THR 72 N -0.17 0.04 -1.73 2.02 -2.24 -1.26 -1.16 114.28 109.77 1n8j n THR 72 Ca -0.10 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.34 1n8j n THR 72 Cb 0.63 -0.06 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.21 4.77 0.67 3.42 1.01 -1.26 -3.44 116.67 120.63 1n8j s ASP 73 Ca 0.12 1.13 -0.06 0.00 0.71 0.00 0.00 52.55 54.45 1n8j s ASP 73 Cb 0.06 -1.84 0.05 0.00 1.01 0.00 0.00 42.92 42.20 1n8j s ASP 73 CO 0.09 -1.77 0.98 0.42 0.21 0.00 0.00 175.17 175.10 1n8j s THR 74 N -3.31 2.55 0.15 -1.27 -4.23 -1.26 -2.42 115.64 105.85 1n8j s THR 74 Ca 0.60 -0.24 0.28 0.00 -1.18 0.00 0.00 61.69 61.15 1n8j s THR 74 Cb -0.13 -3.08 0.30 0.00 1.34 0.00 0.00 72.50 70.93 1n8j s THR 74 CO 0.52 -0.09 1.91 1.12 -0.54 0.00 0.00 174.62 177.55 1n8j h HIS 75 N -0.48 0.00 -0.35 3.99 2.07 -1.87 -2.53 115.15 115.97 1n8j h HIS 75 Ca -0.44 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 56.98 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 0.36 0.13 -0.17 0.74 -3.07 0.00 0.00 177.93 175.92 1n8j h PHE 76 N 0.00 0.84 -0.26 6.12 -1.00 -1.97 -2.20 116.94 118.48 1n8j h PHE 76 Ca -0.00 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.57 1n8j h PHE 76 Cb 0.62 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1n8j h PHE 76 CO 0.00 0.93 0.17 1.15 -1.61 0.00 0.00 178.31 178.95 1n8j h THR 77 N 0.51 1.08 -0.82 -1.55 2.02 -1.84 -1.59 112.91 110.71 1n8j h THR 77 Ca 0.08 -0.16 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1n8j h THR 77 Cb 0.71 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1n8j h THR 77 CO 0.05 0.07 0.54 0.45 0.37 0.00 0.00 175.52 177.00 1n8j h HIS 78 N 0.34 0.89 -0.23 3.16 3.86 -1.36 0.54 115.15 122.35 1n8j h HIS 78 Ca 0.09 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 1n8j h HIS 78 Cb -0.02 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1n8j h HIS 78 CO -0.05 0.45 0.04 -0.22 0.86 0.00 0.00 177.93 179.01 1n8j h LYS 79 N 0.86 0.39 -0.64 2.45 3.64 -0.74 0.10 116.57 122.63 1n8j h LYS 79 Ca 0.36 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1n8j h LYS 79 Cb 0.29 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 1n8j h LYS 79 CO -0.13 0.51 0.35 0.00 -2.27 0.00 0.00 179.45 177.91 1n8j h ALA 80 N 0.86 1.41 -0.22 5.00 0.00 -0.38 -1.82 119.26 124.10 1n8j h ALA 80 Ca 0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1n8j h ALA 80 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n8j h ALA 80 CO 0.00 0.49 -0.51 2.35 0.00 0.00 0.00 179.25 181.58 1n8j h TRP 81 N 0.89 0.78 -0.07 0.00 7.01 -0.64 -0.95 115.95 122.97 1n8j h TRP 81 Ca 0.23 -0.26 -0.04 0.00 2.11 0.00 0.00 58.89 60.92 1n8j h TRP 81 Cb 0.02 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 1n8j h TRP 81 CO 0.01 1.01 -0.15 1.25 -2.79 0.00 0.00 178.44 177.77 1n8j h HIS 82 N 0.49 0.11 0.13 2.65 2.76 -0.04 -1.59 115.15 119.67 1n8j h HIS 82 Ca 0.02 -0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 57.86 1n8j h HIS 82 Cb 1.06 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 1n8j h HIS 82 CO 0.05 0.26 -1.62 0.77 -1.30 0.00 0.00 177.93 176.09 1n8j h SER 83 N 0.11 0.44 1.25 3.26 0.02 -1.10 -3.30 113.55 114.23 1n8j h SER 83 Ca 0.02 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1n8j h SER 83 Cb 0.33 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1n8j h SER 83 CO 0.02 1.55 -0.52 0.77 -1.14 0.00 0.00 176.83 177.51 1n8j h SER 84 N 0.08 0.00 -3.80 3.07 4.64 -1.01 -3.46 113.55 113.06 1n8j h SER 84 Ca -0.28 -0.07 -0.68 0.00 -0.47 0.00 0.00 61.79 60.29 1n8j h SER 84 Cb 2.04 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.85 1n8j h SER 84 CO 0.16 0.03 -0.82 -0.55 -0.87 0.00 0.00 176.83 174.78 1n8j s SER 85 N -5.10 3.59 0.22 4.97 0.15 -0.61 -5.02 113.70 111.89 1n8j s SER 85 Ca 0.05 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.26 1n8j s SER 85 Cb 0.10 -1.08 0.19 0.00 -1.71 0.00 0.00 66.02 63.52 1n8j s SER 85 CO 0.72 0.25 1.67 -0.33 1.20 0.00 0.00 173.24 176.75 1n8j h GLU 86 N 6.07 0.90 -0.10 5.44 5.08 -1.89 -1.35 114.58 128.73 1n8j h GLU 86 Ca -0.33 -0.30 -0.23 0.00 -1.00 0.00 0.00 59.36 57.50 1n8j h GLU 86 Cb 1.18 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1n8j h GLU 86 CO 0.50 0.94 -0.86 1.79 -1.00 0.00 0.00 179.01 180.38 1n8j h THR 87 N 0.82 1.29 -0.05 1.13 1.35 -1.95 -3.16 112.91 112.33 1n8j h THR 87 Ca 0.14 -2.08 -0.09 0.00 -0.55 0.00 0.00 66.41 63.84 1n8j h THR 87 Cb 0.58 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1n8j h THR 87 CO 0.04 0.65 -0.36 0.40 -0.25 0.00 0.00 175.52 175.99 1n8j h ILE 88 N 0.47 1.28 -0.11 6.82 1.08 -1.85 -2.89 117.51 122.31 1n8j h ILE 88 Ca -0.07 -1.33 0.03 0.00 -0.39 0.00 0.00 64.86 63.10 1n8j h ILE 88 Cb 1.49 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1n8j h ILE 88 CO 0.17 0.39 0.10 0.00 -0.69 0.00 0.00 178.15 178.12 1n8j h ALA 89 N 1.54 1.86 -0.07 1.87 0.00 -1.20 -1.23 119.26 122.03 1n8j h ALA 89 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 89 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1n8j h ALA 89 CO 0.05 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.50 1n8j n LYS 90 N -4.10 1.29 -2.70 0.00 2.85 -1.09 -4.82 118.16 109.59 1n8j n LYS 90 Ca -0.00 -0.43 -0.43 0.00 -1.05 0.00 0.00 58.31 56.40 1n8j n LYS 90 Cb 0.22 -1.31 -0.03 0.00 -0.65 0.00 0.00 35.03 33.26 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 -1.91 4.74 -1.26 0.58 1.01 -0.47 -4.90 121.20 118.99 1n8j s ILE 91 Ca 0.28 1.97 0.11 0.00 0.00 0.00 0.00 60.65 63.01 1n8j s ILE 91 Cb 0.14 -4.29 0.13 0.00 0.01 0.00 0.00 42.46 38.45 1n8j s ILE 91 CO 0.22 -0.09 0.92 0.29 0.00 0.00 0.00 174.94 176.28 1n8j n LYS 92 N 5.74 0.95 -2.75 2.79 5.02 -1.26 -4.68 118.16 123.97 1n8j n LYS 92 Ca 0.10 -1.31 -0.21 0.00 -2.02 0.00 0.00 58.31 54.86 1n8j n LYS 92 Cb 0.47 -1.22 0.07 0.00 -0.02 0.00 0.00 35.03 34.33 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -0.92 2.07 0.16 2.13 -0.85 -1.26 -4.63 117.35 114.05 1n8j s TYR 93 Ca 0.14 -0.31 -0.30 0.00 -0.52 0.00 0.00 57.07 56.09 1n8j s TYR 93 Cb 0.09 -2.68 -0.07 0.00 0.38 0.00 0.00 41.96 39.68 1n8j s TYR 93 CO 0.14 -1.19 1.15 0.00 -1.52 0.00 0.00 175.55 174.12 1n8j s ALA 94 N -2.83 3.39 -0.42 9.51 0.00 -1.21 -4.64 121.76 125.55 1n8j s ALA 94 Ca 0.61 0.86 -0.06 0.00 0.00 0.00 0.00 51.96 53.37 1n8j s ALA 94 Cb -0.07 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1n8j s ALA 94 CO 0.40 -0.30 0.25 -1.64 0.00 0.00 0.00 175.76 174.47 1n8j s MET 95 N -0.05 2.34 0.11 0.00 -1.94 -0.17 -1.50 119.30 118.09 1n8j s MET 95 Ca 0.52 -1.66 -0.29 0.00 -1.71 0.00 0.00 55.69 52.54 1n8j s MET 95 Cb -0.30 -3.72 -0.06 0.00 2.01 0.00 0.00 34.83 32.76 1n8j s MET 95 CO 0.34 -1.05 0.93 0.42 -0.01 0.00 0.00 175.02 175.66 1n8j s ILE 96 N 1.30 4.52 -0.20 2.53 1.01 0.49 -0.95 121.20 129.90 1n8j s ILE 96 Ca 0.05 2.01 -0.10 0.00 0.00 0.00 0.00 60.65 62.60 1n8j s ILE 96 Cb -0.24 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1n8j s ILE 96 CO -0.01 0.33 0.15 -0.83 0.00 0.00 0.00 174.94 174.58 1n8j s GLY 97 N -0.06 2.06 -0.46 6.18 0.00 -0.33 -3.17 107.32 111.54 1n8j s GLY 97 Ca 0.45 -0.67 0.09 0.00 0.00 0.00 0.00 44.72 44.60 1n8j s GLY 97 CO 0.29 0.17 0.81 1.34 0.00 0.00 0.00 173.10 175.71 1n8j n ASP 98 N 3.54 2.37 0.22 1.64 2.03 -0.31 -4.23 116.55 121.81 1n8j n ASP 98 Ca -0.16 -3.28 0.13 0.00 0.52 0.00 0.00 54.79 52.00 1n8j n ASP 98 Cb 0.52 -0.60 0.75 0.00 -0.72 0.00 0.00 41.12 41.07 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 3.09 0.00 0.00 -0.67 0.13 -1.70 0.03 132.00 132.87 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 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1n8j h PRO 99 CO 0.64 0.00 -0.04 1.79 -0.23 0.00 0.00 178.00 180.15 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 0.05 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1n8j h THR 100 Cb 0.24 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1n8j h THR 100 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1n8j n GLY 101 N 1.17 0.41 0.10 5.82 0.00 -0.00 -4.93 105.19 107.76 1n8j n GLY 101 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 0.18 -0.80 4.61 0.00 -1.91 0.58 119.26 121.92 1n8j h ALA 102 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 102 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1n8j h ALA 102 CO 0.00 -0.18 0.53 1.25 0.00 0.00 0.00 179.25 180.85 1n8j h LEU 103 N 0.00 0.90 -0.58 0.00 6.46 -1.91 0.60 115.31 120.78 1n8j h LEU 103 Ca 0.04 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1n8j h LEU 103 Cb 0.28 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 1n8j h LEU 103 CO 0.00 0.64 0.19 0.74 -0.62 0.00 0.00 178.44 179.39 1n8j h THR 104 N 1.06 1.24 0.00 1.05 2.02 -1.87 -2.39 112.91 114.02 1n8j h THR 104 Ca 0.30 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1n8j h THR 104 Cb -0.09 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1n8j h THR 104 CO -0.08 0.30 -0.34 0.03 0.37 0.00 0.00 175.52 175.80 1n8j h ARG 105 N 0.81 0.00 -0.50 6.66 3.08 -0.43 -1.54 114.38 122.46 1n8j h ARG 105 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1n8j h ARG 105 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1n8j h ARG 105 CO -0.01 0.34 0.18 -0.91 -1.07 0.00 0.00 179.97 178.50 1n8j h ASN 106 N 0.00 0.66 -0.41 7.04 2.35 -0.37 -1.26 115.58 123.59 1n8j h ASN 106 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1n8j h ASN 106 Cb 0.90 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1n8j h ASN 106 CO 0.04 0.62 0.00 0.49 -1.65 0.00 0.00 177.43 176.93 1n8j n PHE 107 N -4.33 1.25 -4.09 1.19 3.72 -1.06 -4.87 117.46 109.26 1n8j n PHE 107 Ca 0.04 -0.45 -0.31 0.00 -0.05 0.00 0.00 57.45 56.67 1n8j n PHE 107 Cb 0.17 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.53 -0.76 -0.54 4.37 2.03 -0.48 -4.87 116.55 116.83 1n8j n ASP 108 Ca 0.18 -1.16 0.05 0.00 0.52 0.00 0.00 54.79 54.38 1n8j n ASP 108 Cb 0.79 -2.31 0.08 0.00 -0.72 0.00 0.00 41.12 38.96 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 -2.81 1.20 -4.71 1.67 4.05 -0.60 -5.03 115.26 109.03 1n8j n ASN 109 Ca -0.27 -2.66 -0.38 0.00 0.45 0.00 0.00 54.58 51.73 1n8j n ASN 109 Cb 0.67 -0.34 -0.07 0.00 1.23 0.00 0.00 39.78 41.27 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 -1.45 4.28 -0.90 1.20 1.75 -1.25 -1.26 119.30 121.67 1n8j s MET 110 Ca 0.22 0.32 -0.20 0.00 -1.25 0.00 0.00 55.69 54.78 1n8j s MET 110 Cb 0.21 -3.46 0.10 0.00 2.84 0.00 0.00 34.83 34.53 1n8j s MET 110 CO -0.03 0.12 1.17 1.03 -0.65 0.00 0.00 175.02 176.66 1n8j s ARG 111 N 0.77 3.51 0.39 4.11 0.52 -0.11 -4.89 118.95 123.26 1n8j s ARG 111 Ca 0.22 -1.46 0.17 0.00 -0.52 0.00 0.00 55.73 54.15 1n8j s ARG 111 Cb -0.15 -4.88 1.07 0.00 0.52 0.00 0.00 34.95 31.52 1n8j s ARG 111 CO 0.08 -1.87 1.78 0.93 0.02 0.00 0.00 175.30 176.24 1n8j h GLU 112 N 9.16 0.41 0.00 3.54 4.39 -1.95 -0.27 114.58 129.86 1n8j h GLU 112 Ca 0.09 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1n8j h GLU 112 Cb 1.03 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1n8j h GLU 112 CO 1.18 0.27 0.00 -0.40 -1.16 0.00 0.00 179.01 178.91 1n8j n ASP 113 N -4.63 0.39 -0.00 1.42 5.68 -1.26 -3.68 116.55 114.47 1n8j n ASP 113 Ca 0.25 0.55 0.03 0.00 -0.50 0.00 0.00 54.79 55.12 1n8j n ASP 113 Cb 0.84 -0.65 -0.04 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.88 1.66 -1.65 0.11 1.02 -0.25 -4.99 120.64 114.67 1n8j n GLU 114 Ca 0.05 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.04 1n8j n GLU 114 Cb 0.32 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 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 1.84 0.76 3.30 0.62 0.00 -0.43 -5.00 105.19 106.28 1n8j n GLY 115 Ca -0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.80 2.33 0.50 0.99 1.43 -1.24 -4.79 118.68 115.11 1n8j s LEU 116 Ca 0.00 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 1n8j s LEU 116 Cb 0.00 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 1n8j s LEU 116 CO 0.00 0.04 0.95 0.00 0.23 0.00 0.00 176.35 177.57 1n8j s ALA 117 N -1.36 3.13 0.86 4.21 0.00 -1.26 -0.94 121.76 126.40 1n8j s ALA 117 Ca 0.09 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1n8j s ALA 117 Cb -0.09 -3.03 0.13 0.00 0.00 0.00 0.00 23.12 20.13 1n8j s ALA 117 CO 0.05 -0.23 1.21 -0.51 0.00 0.00 0.00 175.76 176.28 1n8j s ASP 118 N -3.20 3.92 -1.18 0.00 1.11 -0.39 -2.95 116.67 113.98 1n8j s ASP 118 Ca 0.57 0.46 -0.17 0.00 0.18 0.00 0.00 52.55 53.58 1n8j s ASP 118 Cb -0.10 -0.76 0.11 0.00 1.07 0.00 0.00 42.92 43.24 1n8j s ASP 118 CO 0.33 -2.23 1.52 -0.60 1.18 0.00 0.00 175.17 175.37 1n8j s ARG 119 N -5.65 3.92 0.05 8.23 3.52 -1.26 -3.64 118.95 124.12 1n8j s ARG 119 Ca 0.67 -2.06 0.06 0.00 -0.13 0.00 0.00 55.73 54.27 1n8j s ARG 119 Cb -0.07 -5.27 -0.02 0.00 -1.56 0.00 0.00 34.95 28.02 1n8j s ARG 119 CO 0.50 -2.02 -0.16 0.00 -0.81 0.00 0.00 175.30 172.81 1n8j s ALA 120 N 3.21 1.34 -0.02 6.12 0.00 -1.22 -1.00 121.76 130.20 1n8j s ALA 120 Ca 0.46 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1n8j s ALA 120 Cb -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1n8j s ALA 120 CO 0.01 0.27 -0.16 0.99 0.00 0.00 0.00 175.76 176.86 1n8j s THR 121 N -0.88 1.30 -0.05 0.00 2.01 0.14 -0.59 115.64 117.58 1n8j s THR 121 Ca 0.03 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.36 1n8j s THR 121 Cb -0.08 -1.08 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1n8j s THR 121 CO 0.02 0.37 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.85 1n8j s PHE 122 N -0.32 1.23 -0.24 4.92 0.40 -0.67 -0.87 117.98 122.43 1n8j s PHE 122 Ca 0.05 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1n8j s PHE 122 Cb -0.07 -0.90 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1n8j s PHE 122 CO -0.00 -0.19 0.10 0.08 0.70 0.00 0.00 175.22 175.91 1n8j s VAL 123 N 0.45 4.77 -0.13 -0.44 1.01 -0.56 -1.24 120.40 124.26 1n8j s VAL 123 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.89 1n8j s VAL 123 Cb -0.13 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1n8j s VAL 123 CO 0.02 0.35 -0.21 -0.69 0.00 0.00 0.00 175.10 174.57 1n8j s VAL 124 N 1.27 2.25 0.94 2.92 1.01 0.70 -0.27 120.40 129.22 1n8j s VAL 124 Ca 0.06 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1n8j s VAL 124 Cb -0.14 -1.90 0.16 0.00 0.00 0.00 0.00 36.38 34.50 1n8j s VAL 124 CO 0.05 0.55 1.20 1.51 0.00 0.00 0.00 175.10 178.40 1n8j s ASP 125 N 0.60 3.30 0.64 3.32 1.47 0.35 -0.30 116.67 126.04 1n8j s ASP 125 Ca -0.12 0.68 0.32 0.00 1.18 0.00 0.00 52.55 54.62 1n8j s ASP 125 Cb -0.16 -1.05 1.74 0.00 -0.34 0.00 0.00 42.92 43.11 1n8j s ASP 125 CO 0.03 -2.65 2.02 -0.65 0.68 0.00 0.00 175.17 174.60 1n8j h PRO 126 N -1.57 0.00 -0.55 2.11 0.11 -1.85 0.26 132.00 130.50 1n8j h PRO 126 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n8j h PRO 126 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.53 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.36 1n8j n GLN 127 N -3.22 2.31 -1.02 1.05 3.00 -1.26 -0.97 117.38 117.27 1n8j n GLN 127 Ca 0.00 -2.03 -0.01 0.00 -0.01 0.00 0.00 57.00 54.95 1n8j n GLN 127 Cb 0.36 -1.44 -0.00 0.00 0.00 0.00 0.00 30.24 29.15 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 1.40 0.45 3.75 1.08 0.00 0.91 -4.90 105.19 107.89 1n8j n GLY 128 Ca 0.19 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.01 5.26 -0.21 -0.61 -1.09 -1.25 -0.73 121.20 120.56 1n8j s ILE 129 Ca 0.00 0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 58.76 1n8j s ILE 129 Cb 0.00 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1n8j s ILE 129 CO 0.00 0.42 1.31 -0.63 -1.23 0.00 0.00 174.94 174.81 1n8j s ILE 130 N 0.16 4.18 -0.61 2.92 1.01 -0.39 -0.50 121.20 127.98 1n8j s ILE 130 Ca 0.19 1.39 0.15 0.00 0.00 0.00 0.00 60.65 62.39 1n8j s ILE 130 Cb -0.14 -4.01 -0.18 0.00 0.01 0.00 0.00 42.46 38.14 1n8j s ILE 130 CO 0.06 -0.25 0.60 0.00 0.00 0.00 0.00 174.94 175.36 1n8j n GLN 131 N 6.91 1.72 -3.57 2.79 1.13 0.63 -0.58 117.38 126.41 1n8j n GLN 131 Ca 0.15 -0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 55.02 1n8j n GLN 131 Cb 0.45 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 29.49 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 -2.54 -1.78 -0.01 -1.58 0.00 -1.22 -4.96 121.76 109.67 1n8j s ALA 132 Ca 0.04 1.67 0.01 0.00 0.00 0.00 0.00 51.96 53.67 1n8j s ALA 132 Cb 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1n8j s ALA 132 CO 0.63 -0.35 -0.03 0.42 0.00 0.00 0.00 175.76 176.43 1n8j s ILE 133 N -0.43 0.25 -0.02 0.00 1.01 -1.26 -1.50 121.20 119.25 1n8j s ILE 133 Ca -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1n8j s ILE 133 Cb -0.02 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.22 1n8j s ILE 133 CO 0.05 0.09 -0.03 -0.70 0.00 0.00 0.00 174.94 174.35 1n8j s GLU 134 N 0.10 0.46 -0.01 2.79 2.12 -0.05 -4.98 118.70 119.13 1n8j s GLU 134 Ca -0.01 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1n8j s GLU 134 Cb -0.03 -0.52 0.01 0.00 0.26 0.00 0.00 34.13 33.85 1n8j s GLU 134 CO -0.00 -0.03 -0.01 0.08 -0.54 0.00 0.00 175.26 174.76 1n8j s VAL 135 N 0.56 0.12 0.24 3.70 1.01 -1.26 0.29 120.40 125.06 1n8j s VAL 135 Ca -0.06 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1n8j s VAL 135 Cb -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1n8j s VAL 135 CO -0.01 0.08 0.03 0.42 0.00 0.00 0.00 175.10 175.62 1n8j s THR 136 N 0.44 0.88 0.92 3.92 -4.23 -0.17 -5.00 115.64 112.41 1n8j s THR 136 Ca -0.04 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1n8j s THR 136 Cb -0.06 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.49 1n8j s THR 136 CO -0.01 -0.24 1.10 0.00 -0.54 0.00 0.00 174.62 174.94 1n8j s ALA 137 N -3.52 1.48 0.27 3.99 0.00 -1.26 -4.04 121.76 118.68 1n8j s ALA 137 Ca 0.31 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1n8j s ALA 137 Cb 0.07 -3.11 0.61 0.00 0.00 0.00 0.00 23.12 20.68 1n8j s ALA 137 CO 0.10 -2.43 1.73 1.49 0.00 0.00 0.00 175.76 176.65 1n8j h GLU 138 N -1.60 0.48 -0.13 0.00 4.57 -2.01 -2.22 114.58 113.68 1n8j h GLU 138 Ca -0.51 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.64 1n8j h GLU 138 Cb 1.31 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1n8j h GLU 138 CO 0.58 0.32 0.00 0.41 -1.18 0.00 0.00 179.01 179.14 1n8j n GLY 139 N -1.33 0.12 3.21 1.92 0.00 -1.26 -4.82 105.19 103.02 1n8j n GLY 139 Ca 0.19 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.84 3.39 0.57 -0.61 1.01 -0.84 -5.08 121.20 117.80 1n8j s ILE 140 Ca 0.33 -1.35 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1n8j s ILE 140 Cb 0.18 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1n8j s ILE 140 CO 0.27 -0.21 1.14 -0.83 0.00 0.00 0.00 174.94 175.31 1n8j s GLY 141 N 1.41 2.56 0.49 6.18 0.00 -1.26 -4.56 107.32 112.14 1n8j s GLY 141 Ca -0.02 0.80 -0.03 0.00 0.00 0.00 0.00 44.72 45.47 1n8j s GLY 141 CO 0.00 1.16 0.76 0.50 0.00 0.00 0.00 173.10 175.53 1n8j s ARG 142 N -3.44 3.18 -0.31 2.90 0.52 -1.26 -5.08 118.95 115.45 1n8j s ARG 142 Ca 0.72 -0.14 -0.03 0.00 -0.52 0.00 0.00 55.73 55.76 1n8j s ARG 142 Cb -0.24 -2.43 0.05 0.00 0.52 0.00 0.00 34.95 32.85 1n8j s ARG 142 CO 0.30 -0.35 0.03 0.34 0.02 0.00 0.00 175.30 175.64 1n8j s ASP 143 N -4.20 5.02 0.47 0.23 -1.08 -1.26 -4.90 116.67 110.95 1n8j s ASP 143 Ca 0.49 -1.22 0.19 0.00 -0.52 0.00 0.00 52.55 51.48 1n8j s ASP 143 Cb -0.10 -1.76 1.19 0.00 -1.46 0.00 0.00 42.92 40.79 1n8j s ASP 143 CO 0.42 -0.28 1.98 0.00 0.52 0.00 0.00 175.17 177.81 1n8j h ALA 144 N 8.07 2.22 0.00 3.66 0.00 -1.92 -1.52 119.26 129.76 1n8j h ALA 144 Ca -0.22 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1n8j h ALA 144 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1n8j h ALA 144 CO 0.55 -0.36 -0.18 0.66 0.00 0.00 0.00 179.25 179.92 1n8j h SER 145 N 0.23 0.00 0.46 0.00 4.64 -1.94 -1.92 113.55 115.02 1n8j h SER 145 Ca 0.27 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.40 1n8j h SER 145 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1n8j h SER 145 CO -0.05 0.18 -0.81 -0.78 -0.87 0.00 0.00 176.83 174.50 1n8j h ASP 146 N 0.00 0.32 0.58 4.97 3.58 -1.71 -2.55 116.42 121.62 1n8j h ASP 146 Ca -0.00 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 1n8j h ASP 146 Cb 0.58 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 41.54 1n8j h ASP 146 CO 0.02 1.01 -0.28 0.25 -2.88 0.00 0.00 179.24 177.36 1n8j h LEU 147 N 0.16 -0.66 -0.81 2.28 5.85 -1.32 -2.47 115.31 118.34 1n8j h LEU 147 Ca -0.04 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.85 1n8j h LEU 147 Cb 1.41 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 42.51 1n8j h LEU 147 CO 0.13 -0.45 0.36 -0.07 -0.34 0.00 0.00 178.44 178.07 1n8j h LEU 148 N -0.81 0.37 -0.36 2.25 3.38 -1.40 0.13 115.31 118.87 1n8j h LEU 148 Ca -0.08 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1n8j h LEU 148 Cb 0.61 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1n8j h LEU 148 CO 0.13 0.12 0.20 -0.09 0.09 0.00 0.00 178.44 178.89 1n8j h ARG 149 N 0.49 0.39 -0.46 1.13 2.43 -1.29 0.13 114.38 117.20 1n8j h ARG 149 Ca 0.45 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.53 1n8j h ARG 149 Cb 0.70 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1n8j h ARG 149 CO -0.41 0.26 -0.01 0.87 -1.51 0.00 0.00 179.97 179.16 1n8j h LYS 150 N 0.40 0.78 -0.31 0.20 1.57 -0.64 -1.24 116.57 117.32 1n8j h LYS 150 Ca 0.14 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1n8j h LYS 150 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1n8j h LYS 150 CO -0.08 0.79 0.09 0.82 -0.57 0.00 0.00 179.45 180.50 1n8j h ILE 151 N 0.72 1.21 -0.91 1.86 2.04 -0.18 0.10 117.51 122.35 1n8j h ILE 151 Ca 0.14 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 1n8j h ILE 151 Cb 0.46 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1n8j h ILE 151 CO 0.02 0.23 0.55 0.11 0.00 0.00 0.00 178.15 179.06 1n8j h LYS 152 N 0.34 1.23 -0.40 2.37 1.57 -0.46 -0.30 116.57 120.91 1n8j h LYS 152 Ca 0.10 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1n8j h LYS 152 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1n8j h LYS 152 CO -0.00 0.86 -0.26 0.00 -0.57 0.00 0.00 179.45 179.48 1n8j h ALA 153 N 1.36 0.78 -0.73 3.86 0.00 -0.94 -1.23 119.26 122.36 1n8j h ALA 153 Ca 0.33 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1n8j h ALA 153 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1n8j h ALA 153 CO -0.06 0.65 0.21 0.00 0.00 0.00 0.00 179.25 180.06 1n8j h ALA 154 N 0.98 1.00 -0.19 0.00 0.00 -0.03 -2.08 119.26 118.94 1n8j h ALA 154 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1n8j h ALA 154 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1n8j h ALA 154 CO 0.07 0.66 -0.45 1.96 0.00 0.00 0.00 179.25 181.49 1n8j h GLN 155 N 1.09 0.48 -0.01 0.00 4.20 -0.90 -2.58 115.11 117.38 1n8j h GLN 155 Ca 0.23 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1n8j h GLN 155 Cb 0.32 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1n8j h GLN 155 CO -0.01 0.83 0.00 -0.92 -0.67 0.00 0.00 178.83 178.07 1n8j h TYR 156 N 0.39 0.03 0.00 2.96 3.20 -0.85 -1.52 116.97 121.17 1n8j h TYR 156 Ca 0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1n8j h TYR 156 Cb 0.94 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 1n8j h TYR 156 CO 0.03 0.27 -0.16 -0.39 -1.64 0.00 0.00 178.16 176.27 1n8j h VAL 157 N -0.22 0.62 -0.26 1.81 -1.51 -1.41 -1.92 116.25 113.36 1n8j h VAL 157 Ca 0.00 -0.68 -0.19 0.00 -1.23 0.00 0.00 66.70 64.61 1n8j h VAL 157 Cb 0.26 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1n8j h VAL 157 CO 0.00 0.15 -0.56 0.00 -1.23 0.00 0.00 177.57 175.93 1n8j h ALA 158 N 1.84 0.42 -0.07 5.19 0.00 -1.16 -3.17 119.26 122.32 1n8j h ALA 158 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1n8j h ALA 158 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1n8j h ALA 158 CO 0.02 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1n8j n ALA 159 N -2.57 2.57 -3.31 0.00 0.00 -0.60 -4.46 120.51 112.13 1n8j n ALA 159 Ca -0.05 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 1n8j n ALA 159 Cb 0.63 -1.17 -0.09 0.00 0.00 0.00 0.00 19.45 18.82 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N 0.07 -1.08 -1.83 0.00 -0.00 -0.76 -5.07 115.22 106.55 1n8j n HIS 160 Ca 0.18 -3.20 -0.42 0.00 -0.00 0.00 0.00 57.72 54.28 1n8j n HIS 160 Cb 0.31 0.27 -0.03 0.00 -0.00 0.00 0.00 29.99 30.54 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1n8j s PRO 161 N -0.06 3.81 0.00 -0.41 0.02 -1.25 -2.24 135.00 134.87 1n8j s PRO 161 Ca 0.33 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.50 1n8j s PRO 161 Cb 0.06 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.43 1n8j s PRO 161 CO -0.18 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 175.60 1n8j n GLY 162 N 4.80 1.01 3.19 0.52 0.00 -1.26 -5.11 105.19 108.35 1n8j n GLY 162 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.13 1.28 0.08 1.61 2.02 -0.95 -3.90 118.70 118.71 1n8j s GLU 163 Ca 0.00 -0.78 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1n8j s GLU 163 Cb 0.00 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 32.88 1n8j s GLU 163 CO 0.00 0.34 -0.20 0.14 0.02 0.00 0.00 175.26 175.56 1n8j s VAL 164 N -0.67 1.62 -0.26 2.63 -7.23 -0.55 -4.72 120.40 111.22 1n8j s VAL 164 Ca 0.06 -1.38 -0.18 0.00 -1.81 0.00 0.00 61.98 58.67 1n8j s VAL 164 Cb -0.08 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1n8j s VAL 164 CO 0.01 0.02 0.50 0.00 -0.31 0.00 0.00 175.10 175.32 1n8j s PRO 166 N 2.28 -0.95 0.65 0.00 0.02 -1.26 -4.90 135.00 130.83 1n8j s PRO 166 Ca 0.20 0.09 -0.18 0.00 0.02 0.00 0.00 61.00 61.14 1n8j s PRO 166 Cb -0.16 -1.61 -0.01 0.00 0.02 0.00 0.00 34.50 32.74 1n8j s PRO 166 CO 0.09 -3.57 1.29 0.00 -0.33 0.00 0.00 177.00 174.48 1n8j n ALA 167 N -4.69 1.13 -0.90 -1.55 0.00 -1.26 -2.54 120.51 110.72 1n8j n ALA 167 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1n8j n ALA 167 Cb 0.59 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 -1.86 -1.28 -1.68 0.00 5.02 -1.26 -4.91 118.16 112.18 1n8j n LYS 168 Ca 0.16 0.32 -0.45 0.00 -2.02 0.00 0.00 58.31 56.32 1n8j n LYS 168 Cb 0.48 -4.58 -0.04 0.00 -0.02 0.00 0.00 35.03 30.87 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 -2.11 2.44 -4.41 2.13 -0.00 -1.05 -5.01 117.44 109.43 1n8j n TRP 169 Ca 0.00 0.04 -0.27 0.00 -0.00 0.00 0.00 57.50 57.27 1n8j n TRP 169 Cb 0.32 -2.65 -0.12 0.00 -0.00 0.00 0.00 31.31 28.87 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 2.37 1.56 0.23 5.87 1.02 -1.26 -4.90 119.74 124.62 1n8j s LYS 170 Ca 0.83 -1.47 -0.31 0.00 0.02 0.00 0.00 55.97 55.03 1n8j s LYS 170 Cb -0.60 -1.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 1n8j s LYS 170 CO 0.41 0.41 1.35 0.39 -0.92 0.00 0.00 175.35 176.99 1n8j n GLU 171 N 0.34 1.85 0.00 1.68 1.02 -1.26 -1.90 120.64 122.38 1n8j n GLU 171 Ca -0.13 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1n8j n GLU 171 Cb 0.55 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 2.10 2.93 3.81 0.62 0.00 -1.26 -5.06 105.19 108.34 1n8j n GLY 172 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.06 1.42 0.70 1.61 2.02 -0.80 -5.01 118.70 118.59 1n8j s GLU 173 Ca 0.00 0.31 -0.16 0.00 0.02 0.00 0.00 54.97 55.14 1n8j s GLU 173 Cb 0.00 -1.87 0.02 0.00 0.10 0.00 0.00 34.13 32.38 1n8j s GLU 173 CO 0.00 -2.01 1.22 0.00 0.02 0.00 0.00 175.26 174.49 1n8j s ALA 174 N -3.31 2.20 0.40 5.21 0.00 -1.26 -4.94 121.76 120.05 1n8j s ALA 174 Ca 0.63 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.56 1n8j s ALA 174 Cb -0.14 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1n8j s ALA 174 CO 0.53 -1.76 0.11 0.95 0.00 0.00 0.00 175.76 175.58 1n8j s THR 175 N -1.87 0.73 0.17 0.00 -4.23 -1.26 -4.66 115.64 104.53 1n8j s THR 175 Ca 0.76 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.36 1n8j s THR 175 Cb -0.30 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1n8j s THR 175 CO 0.43 0.00 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.64 1n8j s LEU 176 N -3.60 2.93 -0.54 4.79 1.43 -0.57 -4.96 118.68 118.15 1n8j s LEU 176 Ca 0.25 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1n8j s LEU 176 Cb 0.04 -1.63 0.15 0.00 0.03 0.00 0.00 46.19 44.77 1n8j s LEU 176 CO 0.14 0.11 0.33 0.00 0.23 0.00 0.00 176.35 177.16 1n8j s ALA 177 N -1.64 2.94 -0.33 4.21 0.00 -1.26 -1.49 121.76 124.20 1n8j s ALA 177 Ca 0.24 -3.17 -0.43 0.00 0.00 0.00 0.00 51.96 48.60 1n8j s ALA 177 Cb -0.09 -2.03 -0.18 0.00 0.00 0.00 0.00 23.12 20.82 1n8j s ALA 177 CO 0.14 -2.05 1.61 -2.30 0.00 0.00 0.00 175.76 173.16 1n8j n PRO 178 N 2.86 0.59 -4.05 0.00 -0.02 -1.25 -4.95 135.00 128.18 1n8j n PRO 178 Ca 0.13 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.73 1n8j n PRO 178 Cb 0.35 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.87 0.16 0.29 2.55 1.04 -1.26 -5.04 113.70 114.31 1n8j s SER 179 Ca 1.00 -1.03 0.08 0.00 0.48 0.00 0.00 55.95 56.47 1n8j s SER 179 Cb -1.26 0.37 0.45 0.00 0.10 0.00 0.00 66.02 65.68 1n8j s SER 179 CO 0.71 -0.82 1.68 0.25 0.98 0.00 0.00 173.24 176.04 1n8j h LEU 180 N 2.69 0.18 -0.61 2.42 6.46 -2.00 -2.84 115.31 121.60 1n8j h LEU 180 Ca -0.33 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.29 1n8j h LEU 180 Cb 1.22 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 1n8j h LEU 180 CO 0.53 0.62 -0.28 -0.78 -0.62 0.00 0.00 178.44 177.91 1n8j h ASP 181 N 0.14 0.00 -0.06 1.25 1.82 -1.98 -3.05 116.42 114.54 1n8j h ASP 181 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1n8j h ASP 181 Cb 0.88 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.89 1n8j h ASP 181 CO 0.07 0.28 0.00 -0.11 -1.61 0.00 0.00 179.24 177.87 1n8j n LEU 182 N -3.29 0.60 -4.68 2.28 0.00 -1.07 -4.79 117.00 106.06 1n8j n LEU 182 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 56.01 55.34 1n8j n LEU 182 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 43.42 43.89 1n8j n LEU 182 CO 0.36 0.13 1.06 -0.69 0.00 0.00 0.00 177.39 178.24 1n8j s VAL 183 N -1.92 4.13 0.00 1.96 1.01 -1.15 -3.20 120.40 121.22 1n8j s VAL 183 Ca 0.28 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1n8j s VAL 183 Cb 0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1n8j s VAL 183 CO 0.22 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1n8j n GLY 184 N 3.55 0.94 0.10 4.51 0.00 -1.26 -4.91 105.19 108.12 1n8j n GLY 184 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 2.40 -0.11 0.00 1.61 1.57 -1.85 -3.56 116.57 116.63 1n8j h LYS 185 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1n8j h LYS 185 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1n8j h LYS 185 CO 0.00 0.20 0.00 -0.89 -0.57 0.00 0.00 179.45 178.19