#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 1.84 -4.70 2.46 4.77 -1.26 -4.94 117.00 115.18 1n8j n LEU 2 Ca 0.00 -0.61 -0.44 0.00 -0.03 0.00 0.00 56.01 54.93 1n8j n LEU 2 Cb 0.00 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1n8j n LEU 2 CO 0.00 0.32 1.13 0.00 -1.33 0.00 0.00 177.39 177.51 1n8j n ILE 3 N 0.22 0.78 -1.96 -0.08 0.13 -1.26 -1.81 119.36 115.38 1n8j n ILE 3 Ca 0.14 -0.20 -0.13 0.00 -1.10 0.00 0.00 62.75 61.47 1n8j n ILE 3 Cb 0.43 -1.66 -0.02 0.00 -0.84 0.00 0.00 39.64 37.55 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 2.44 -4.17 -4.47 9.51 4.05 0.24 -4.98 115.26 117.87 1n8j n ASN 4 Ca 0.12 0.09 -0.24 0.00 0.45 0.00 0.00 54.58 54.99 1n8j n ASN 4 Cb 0.33 -3.18 -0.10 0.00 1.23 0.00 0.00 39.78 38.05 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 -2.58 2.52 0.06 -0.44 -4.23 -0.75 -4.86 115.64 105.36 1n8j s THR 5 Ca 0.00 -2.30 -0.24 0.00 -1.18 0.00 0.00 61.69 57.97 1n8j s THR 5 Cb 0.00 -2.31 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 1n8j s THR 5 CO 0.00 -0.34 0.73 -0.75 -0.54 0.00 0.00 174.62 173.71 1n8j s LYS 6 N -3.36 4.46 0.51 3.99 2.20 -1.26 -1.59 119.74 124.69 1n8j s LYS 6 Ca 0.28 1.01 -0.22 0.00 -0.36 0.00 0.00 55.97 56.68 1n8j s LYS 6 Cb -0.06 -3.33 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 1n8j s LYS 6 CO 0.14 0.38 1.26 0.96 -0.36 0.00 0.00 175.35 177.73 1n8j s ILE 7 N -0.37 2.60 0.40 5.43 -4.36 -0.02 -4.98 121.20 119.89 1n8j s ILE 7 Ca 0.36 0.44 -0.11 0.00 -0.26 0.00 0.00 60.65 61.08 1n8j s ILE 7 Cb -0.21 -3.22 -0.07 0.00 1.25 0.00 0.00 42.46 40.22 1n8j s ILE 7 CO 0.22 -0.01 0.77 -0.54 0.24 0.00 0.00 174.94 175.62 1n8j s LYS 8 N -2.86 3.80 0.61 0.37 1.02 -1.26 -5.03 119.74 116.39 1n8j s LYS 8 Ca 0.69 0.49 -0.19 0.00 0.02 0.00 0.00 55.97 56.97 1n8j s LYS 8 Cb -0.34 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1n8j s LYS 8 CO 0.40 -0.02 1.32 -1.25 -0.92 0.00 0.00 175.35 174.89 1n8j s PRO 9 N -3.76 2.76 0.11 -1.68 0.04 -1.26 -4.82 135.00 126.40 1n8j s PRO 9 Ca 0.51 2.13 -0.20 0.00 0.04 0.00 0.00 61.00 63.49 1n8j s PRO 9 Cb -0.10 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.49 1n8j s PRO 9 CO 0.30 -1.45 0.50 -0.59 0.04 0.00 0.00 177.00 175.80 1n8j s PHE 10 N -1.36 -0.38 -0.16 0.56 -0.12 -1.26 -4.94 117.98 110.33 1n8j s PHE 10 Ca 0.79 0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 57.82 1n8j s PHE 10 Cb -0.39 0.38 0.07 0.00 -0.63 0.00 0.00 43.02 42.45 1n8j s PHE 10 CO 0.43 -0.73 0.15 0.21 -0.05 0.00 0.00 175.22 175.23 1n8j s LYS 11 N -3.40 0.10 0.05 1.99 2.20 -1.26 -2.97 119.74 116.44 1n8j s LYS 11 Ca -0.00 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1n8j s LYS 11 Cb 0.00 -1.20 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 1n8j s LYS 11 CO -0.09 -0.57 -0.04 -0.80 -0.36 0.00 0.00 175.35 173.48 1n8j s ASN 12 N 2.24 0.61 0.14 1.43 -0.87 -0.10 -4.99 114.94 113.41 1n8j s ASN 12 Ca 0.04 -0.82 -0.14 0.00 -1.57 0.00 0.00 52.86 50.37 1n8j s ASN 12 Cb -0.15 0.13 -0.07 0.00 -0.02 0.00 0.00 41.25 41.15 1n8j s ASN 12 CO -0.09 -0.45 0.54 -1.10 -2.57 0.00 0.00 177.10 173.43 1n8j s GLN 13 N -3.01 3.97 0.12 -0.60 -1.52 -1.26 0.13 119.66 117.50 1n8j s GLN 13 Ca 0.00 0.48 -0.01 0.00 -1.95 0.00 0.00 55.36 53.89 1n8j s GLN 13 Cb 0.01 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.82 1n8j s GLN 13 CO -0.05 0.49 0.05 0.00 -0.25 0.00 0.00 175.29 175.52 1n8j s ALA 14 N -1.45 0.84 -0.17 6.09 0.00 0.15 -1.38 121.76 125.84 1n8j s ALA 14 Ca 0.37 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 1n8j s ALA 14 Cb -0.15 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1n8j s ALA 14 CO 0.19 -0.48 -0.09 0.12 0.00 0.00 0.00 175.76 175.51 1n8j s PHE 15 N -4.03 2.90 -0.19 0.00 5.36 -0.31 -1.56 117.98 120.14 1n8j s PHE 15 Ca 0.23 -0.75 -0.04 0.00 -0.96 0.00 0.00 56.93 55.41 1n8j s PHE 15 Cb 0.07 -1.96 0.08 0.00 -0.34 0.00 0.00 43.02 40.87 1n8j s PHE 15 CO 0.01 -0.34 0.16 0.21 -1.46 0.00 0.00 175.22 173.80 1n8j s LYS 16 N 0.82 0.13 -1.09 10.12 2.20 0.01 -0.88 119.74 131.05 1n8j s LYS 16 Ca -0.03 0.06 -0.19 0.00 -0.36 0.00 0.00 55.97 55.45 1n8j s LYS 16 Cb -0.15 -1.51 -0.00 0.00 -1.51 0.00 0.00 37.83 34.66 1n8j s LYS 16 CO 0.01 -0.67 0.77 0.09 -0.36 0.00 0.00 175.35 175.19 1n8j n ASN 17 N 5.30 -5.41 -0.10 1.43 3.02 -1.26 -2.69 115.26 115.55 1n8j n ASN 17 Ca -0.06 -0.97 -0.01 0.00 -0.03 0.00 0.00 54.58 53.51 1n8j n ASN 17 Cb 0.49 -3.28 -0.01 0.00 -0.61 0.00 0.00 39.78 36.38 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 -1.71 0.50 3.27 7.41 0.00 -1.26 -5.02 105.19 108.38 1n8j n GLY 18 Ca -0.10 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.01 0.72 -0.11 1.61 -1.05 -1.09 -5.13 118.70 112.62 1n8j s GLU 19 Ca 0.00 -0.17 -0.19 0.00 -0.15 0.00 0.00 54.97 54.46 1n8j s GLU 19 Cb 0.00 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 1n8j s GLU 19 CO 0.00 -0.20 0.51 -0.06 0.95 0.00 0.00 175.26 176.45 1n8j s PHE 20 N -1.41 3.52 0.37 4.83 0.08 -1.26 -0.81 117.98 123.30 1n8j s PHE 20 Ca -0.13 0.94 0.04 0.00 0.12 0.00 0.00 56.93 57.89 1n8j s PHE 20 Cb -0.04 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.79 1n8j s PHE 20 CO 0.04 0.16 0.12 0.96 -0.10 0.00 0.00 175.22 176.40 1n8j s ILE 21 N 0.65 0.66 -0.07 0.64 -4.36 -0.60 -4.97 121.20 113.15 1n8j s ILE 21 Ca 0.27 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1n8j s ILE 21 Cb -0.15 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.06 1n8j s ILE 21 CO 0.11 0.00 -0.20 -0.70 0.24 0.00 0.00 174.94 174.39 1n8j s GLU 22 N -3.78 2.66 0.00 0.37 2.12 -1.26 -0.67 118.70 118.14 1n8j s GLU 22 Ca 0.29 -0.81 0.08 0.00 0.36 0.00 0.00 54.97 54.89 1n8j s GLU 22 Cb 0.04 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 32.11 1n8j s GLU 22 CO 0.15 0.43 -0.26 0.08 -0.54 0.00 0.00 175.26 175.13 1n8j s VAL 23 N -0.26 2.12 0.18 3.70 1.01 0.12 -4.95 120.40 122.32 1n8j s VAL 23 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.75 1n8j s VAL 23 Cb -0.13 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1n8j s VAL 23 CO 0.03 0.51 0.16 0.42 0.00 0.00 0.00 175.10 176.21 1n8j s THR 24 N -0.68 0.03 0.59 3.92 -4.23 -1.26 -0.92 115.64 113.09 1n8j s THR 24 Ca 0.11 -1.86 0.29 0.00 -1.18 0.00 0.00 61.69 59.04 1n8j s THR 24 Cb -0.10 -2.28 0.37 0.00 1.34 0.00 0.00 72.50 71.83 1n8j s THR 24 CO 0.00 -0.15 1.95 1.05 -0.54 0.00 0.00 174.62 176.93 1n8j h GLU 25 N 2.64 0.00 -0.74 3.99 9.09 -1.85 -0.62 114.58 127.08 1n8j h GLU 25 Ca -0.34 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.09 1n8j h GLU 25 Cb 1.23 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.29 1n8j h GLU 25 CO 0.52 0.00 0.49 0.87 0.05 0.00 0.00 179.01 180.95 1n8j h LYS 26 N 0.00 0.91 0.00 1.06 6.56 -1.95 -0.94 116.57 122.21 1n8j h LYS 26 Ca 0.18 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1n8j h LYS 26 Cb 0.97 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1n8j h LYS 26 CO -0.00 0.60 0.00 -0.44 -2.06 0.00 0.00 179.45 177.55 1n8j h ASP 27 N 0.93 0.00 0.70 0.86 3.32 -1.51 -2.83 116.42 117.90 1n8j h ASP 27 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1n8j h ASP 27 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1n8j h ASP 27 CO -0.08 0.00 -1.14 0.35 -1.72 0.00 0.00 179.24 176.65 1n8j n THR 28 N -2.44 0.40 -1.70 0.35 -2.24 -0.38 -4.85 114.28 103.43 1n8j n THR 28 Ca 0.02 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 1n8j n THR 28 Cb 0.25 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.41 2.76 -0.99 -0.78 1.02 -1.07 -1.84 120.64 117.33 1n8j n GLU 29 Ca 0.00 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1n8j n GLU 29 Cb 0.52 -2.87 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 4.09 0.63 3.30 0.62 0.00 -0.58 -5.03 105.19 108.22 1n8j n GLY 30 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.01 1.22 -0.02 1.61 0.52 -0.76 -4.83 118.95 116.67 1n8j s ARG 31 Ca 0.00 -1.56 -0.20 0.00 -0.52 0.00 0.00 55.73 53.44 1n8j s ARG 31 Cb 0.00 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.70 1n8j s ARG 31 CO 0.00 0.03 0.58 -1.58 0.02 0.00 0.00 175.30 174.36 1n8j s TRP 32 N -3.29 3.67 0.09 -0.53 0.52 -1.13 -2.55 118.94 115.71 1n8j s TRP 32 Ca 0.22 1.17 0.07 0.00 0.02 0.00 0.00 56.10 57.58 1n8j s TRP 32 Cb 0.03 -2.60 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 1n8j s TRP 32 CO 0.05 0.33 -0.19 -1.12 0.02 0.00 0.00 176.95 176.04 1n8j s SER 33 N -0.10 2.27 -0.17 2.95 0.01 0.74 -0.73 113.70 118.65 1n8j s SER 33 Ca 0.31 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.93 1n8j s SER 33 Cb -0.18 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 65.96 1n8j s SER 33 CO 0.17 0.03 -0.14 -0.69 0.41 0.00 0.00 173.24 173.02 1n8j s VAL 34 N -1.14 1.71 -0.38 3.43 1.01 -0.37 -0.08 120.40 124.59 1n8j s VAL 34 Ca 0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 1n8j s VAL 34 Cb -0.10 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1n8j s VAL 34 CO 0.03 0.38 0.26 -0.36 0.00 0.00 0.00 175.10 175.41 1n8j s PHE 35 N 1.41 3.23 -0.49 5.22 0.40 0.31 -0.93 117.98 127.12 1n8j s PHE 35 Ca 0.03 -0.54 -0.09 0.00 -0.60 0.00 0.00 56.93 55.73 1n8j s PHE 35 Cb -0.14 -2.52 0.13 0.00 0.51 0.00 0.00 43.02 41.00 1n8j s PHE 35 CO -0.10 -0.53 0.36 0.12 0.70 0.00 0.00 175.22 175.77 1n8j s PHE 36 N 1.67 3.45 0.11 0.36 5.36 0.05 -0.47 117.98 128.51 1n8j s PHE 36 Ca 0.05 -1.95 -0.17 0.00 -0.96 0.00 0.00 56.93 53.89 1n8j s PHE 36 Cb -0.18 -3.48 -0.07 0.00 -0.34 0.00 0.00 43.02 38.94 1n8j s PHE 36 CO 0.09 -0.99 0.57 -0.06 -1.46 0.00 0.00 175.22 173.38 1n8j s PHE 37 N 1.23 3.71 0.05 10.12 0.40 0.79 -0.17 117.98 134.11 1n8j s PHE 37 Ca 0.07 1.20 -0.03 0.00 -0.60 0.00 0.00 56.93 57.57 1n8j s PHE 37 Cb -0.25 -2.46 -0.02 0.00 0.51 0.00 0.00 43.02 40.80 1n8j s PHE 37 CO -0.01 0.50 0.03 1.52 0.70 0.00 0.00 175.22 177.96 1n8j s TYR 38 N -1.29 0.36 0.04 0.36 -0.85 -0.50 -2.77 117.35 112.69 1n8j s TYR 38 Ca 0.34 -0.80 -0.25 0.00 -0.52 0.00 0.00 57.07 55.84 1n8j s TYR 38 Cb -0.17 -0.26 -0.17 0.00 0.38 0.00 0.00 41.96 41.74 1n8j s TYR 38 CO 0.19 -0.38 1.50 -1.35 -1.52 0.00 0.00 175.55 173.99 1n8j h PRO 39 N 3.37 -0.10 -1.99 -3.49 0.11 -1.77 -3.39 132.00 124.75 1n8j h PRO 39 Ca -0.33 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.80 1n8j h PRO 39 Cb 1.17 0.02 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 1n8j h PRO 39 CO 0.58 0.13 0.37 0.00 -0.21 0.00 0.00 178.00 178.87 1n8j s ALA 40 N -5.32 -1.82 0.82 -0.75 0.00 -1.26 -4.28 121.76 109.15 1n8j s ALA 40 Ca -0.14 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 1n8j s ALA 40 Cb 0.04 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.15 1n8j s ALA 40 CO 0.65 -0.44 1.09 -0.51 0.00 0.00 0.00 175.76 176.55 1n8j s ASP 41 N -1.53 4.16 -1.85 0.00 1.11 -1.26 -3.81 116.67 113.49 1n8j s ASP 41 Ca -0.04 1.51 0.00 0.00 0.18 0.00 0.00 52.55 54.20 1n8j s ASP 41 Cb -0.00 -2.23 0.00 0.00 1.07 0.00 0.00 42.92 41.75 1n8j s ASP 41 CO 0.02 -2.21 0.00 0.49 1.18 0.00 0.00 175.17 174.65 1n8j n PHE 42 N -3.61 -0.74 -1.89 4.23 3.01 -1.26 -4.98 117.46 112.22 1n8j n PHE 42 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1n8j n PHE 42 Cb 0.55 -3.74 0.00 0.00 -0.01 0.00 0.00 39.48 36.28 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 -3.48 0.00 -0.04 4.37 -2.24 -1.25 -5.12 114.28 106.53 1n8j n THR 43 Ca -0.23 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.50 1n8j n THR 43 Cb 0.68 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.10 4.78 3.72 -1.26 -4.57 117.46 120.03 1n8j n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1n8j n PHE 44 Cb 0.00 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.20 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 -0.61 1.30 -0.66 -4.37 2.07 -1.97 -3.32 116.25 108.69 1n8j h VAL 45 Ca 0.00 -1.38 0.13 0.00 0.82 0.00 0.00 66.70 66.27 1n8j h VAL 45 Cb 0.61 1.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 1n8j h VAL 45 CO 0.00 0.44 0.17 0.28 0.02 0.00 0.00 177.57 178.48 1n8j h SER 46 N 0.42 0.07 -0.64 0.57 0.02 -1.89 -1.94 113.55 110.15 1n8j h SER 46 Ca 0.05 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1n8j h SER 46 Cb 0.78 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 1n8j h SER 46 CO 0.06 0.02 0.42 1.55 -1.14 0.00 0.00 176.83 177.74 1n8j h PRO 47 N 0.30 0.82 -0.80 3.45 0.13 -1.81 -0.95 132.00 133.15 1n8j h PRO 47 Ca 0.35 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.47 1n8j h PRO 47 Cb 0.54 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 31.44 1n8j h PRO 47 CO -0.42 0.55 0.53 1.79 -0.23 0.00 0.00 178.00 180.21 1n8j h THR 48 N 0.85 1.13 -0.38 1.56 1.35 -1.50 0.14 112.91 116.05 1n8j h THR 48 Ca 0.24 -0.34 -0.14 0.00 -0.55 0.00 0.00 66.41 65.61 1n8j h THR 48 Cb -0.08 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 66.38 1n8j h THR 48 CO -0.06 0.18 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.73 1n8j h GLU 49 N 0.98 0.87 -0.15 4.72 5.08 -0.99 -1.09 114.58 124.01 1n8j h GLU 49 Ca 0.32 -0.42 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1n8j h GLU 49 Cb 0.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1n8j h GLU 49 CO -0.09 1.07 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.40 1n8j h LEU 50 N 0.73 0.45 -0.36 1.33 3.38 -0.47 -2.02 115.31 118.35 1n8j h LEU 50 Ca 0.07 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1n8j h LEU 50 Cb 0.90 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1n8j h LEU 50 CO 0.08 0.89 -0.18 1.23 0.09 0.00 0.00 178.44 180.55 1n8j h GLY 51 N 1.20 0.82 0.69 0.83 0.00 -0.64 -1.27 103.07 104.71 1n8j h GLY 51 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.64 1n8j h GLY 51 CO 0.09 0.68 0.17 -1.80 0.00 0.00 0.00 176.54 175.68 1n8j h ASP 52 N 0.55 0.21 -0.63 0.19 -0.00 -1.07 -0.29 116.42 115.38 1n8j h ASP 52 Ca 0.08 0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.13 1n8j h ASP 52 Cb 0.73 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.03 1n8j h ASP 52 CO 0.05 0.16 0.33 0.58 -0.00 0.00 0.00 179.24 180.37 1n8j h VAL 53 N 0.35 1.21 -0.95 2.25 2.07 -1.18 -2.52 116.25 117.48 1n8j h VAL 53 Ca 0.19 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1n8j h VAL 53 Cb 0.14 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1n8j h VAL 53 CO -0.17 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.27 1n8j h ALA 54 N 1.16 1.32 -0.07 1.67 0.00 -0.46 -0.81 119.26 122.07 1n8j h ALA 54 Ca 0.22 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1n8j h ALA 54 Cb 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1n8j h ALA 54 CO -0.03 0.63 0.05 -0.44 0.00 0.00 0.00 179.25 179.46 1n8j h ASP 55 N 1.29 0.00 -0.58 0.00 3.32 -0.63 -1.28 116.42 118.53 1n8j h ASP 55 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1n8j h ASP 55 Cb -0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1n8j h ASP 55 CO -0.07 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.86 1n8j n HIS 56 N -4.28 0.84 -0.06 4.55 8.25 -0.41 -4.60 115.22 119.52 1n8j n HIS 56 Ca -0.01 -0.52 -0.04 0.00 -0.26 0.00 0.00 57.72 56.89 1n8j n HIS 56 Cb 0.16 -0.04 0.18 0.00 1.12 0.00 0.00 29.99 31.41 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 3.40 0.73 0.43 4.41 3.20 -0.22 -1.16 116.97 127.76 1n8j h TYR 57 Ca 0.00 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1n8j h TYR 57 Cb 0.95 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.03 1n8j h TYR 57 CO 0.42 0.74 -0.23 0.93 -1.64 0.00 0.00 178.16 178.38 1n8j h GLU 58 N 0.63 -0.59 -0.95 1.82 4.39 -1.81 0.45 114.58 118.51 1n8j h GLU 58 Ca 0.11 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.96 1n8j h GLU 58 Cb 0.51 0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 29.22 1n8j h GLU 58 CO 0.03 -0.39 0.59 1.49 -1.16 0.00 0.00 179.01 179.57 1n8j h GLU 59 N -0.61 0.94 -0.32 2.33 4.81 -1.83 -1.25 114.58 118.65 1n8j h GLU 59 Ca -0.05 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 1n8j h GLU 59 Cb 0.48 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1n8j h GLU 59 CO 0.07 0.63 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.82 1n8j h LEU 60 N 0.97 0.63 -1.24 1.64 3.38 -0.77 -2.79 115.31 117.14 1n8j h LEU 60 Ca 0.46 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n8j h LEU 60 Cb 0.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1n8j h LEU 60 CO -0.24 0.86 0.37 1.56 0.09 0.00 0.00 178.44 181.07 1n8j h GLN 61 N 0.39 0.89 0.00 1.13 1.08 -0.34 -0.28 115.11 117.98 1n8j h GLN 61 Ca 0.08 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1n8j h GLN 61 Cb 0.59 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1n8j h GLN 61 CO 0.03 0.64 0.00 1.63 -0.95 0.00 0.00 178.83 180.19 1n8j n LYS 62 N -4.39 0.34 -0.04 1.46 5.02 -0.53 -1.46 118.16 118.56 1n8j n LYS 62 Ca 0.06 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.51 1n8j n LYS 62 Cb 0.09 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1n8j n LYS 62 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1n8j n LEU 63 N -1.24 2.39 -0.53 -0.35 4.77 -0.30 -4.97 117.00 116.78 1n8j n LEU 63 Ca 0.10 -1.18 -0.05 0.00 -0.03 0.00 0.00 56.01 54.86 1n8j n LEU 63 Cb 0.14 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1n8j n LEU 63 CO 0.15 0.47 -0.06 0.61 -1.33 0.00 0.00 177.39 177.23 1n8j n GLY 64 N 0.82 0.19 3.39 -0.72 0.00 -0.54 -4.95 105.19 103.37 1n8j n GLY 64 Ca 0.10 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.24 3.54 0.26 1.61 1.01 -0.27 -2.84 120.40 121.46 1n8j s VAL 65 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1n8j s VAL 65 Cb -0.00 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1n8j s VAL 65 CO 0.00 0.46 0.47 -1.81 0.00 0.00 0.00 175.10 174.22 1n8j s ASP 66 N 0.96 6.37 -0.03 3.32 1.01 0.09 -3.78 116.67 124.61 1n8j s ASP 66 Ca -0.00 0.47 0.03 0.00 0.71 0.00 0.00 52.55 53.76 1n8j s ASP 66 Cb -0.15 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.75 1n8j s ASP 66 CO 0.01 -0.15 -0.13 -0.69 0.21 0.00 0.00 175.17 174.42 1n8j s VAL 67 N -2.04 1.08 -0.20 -1.27 1.01 -1.26 -1.24 120.40 116.48 1n8j s VAL 67 Ca 0.40 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1n8j s VAL 67 Cb -0.10 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.39 1n8j s VAL 67 CO 0.31 0.32 -0.01 -0.31 0.00 0.00 0.00 175.10 175.42 1n8j s TYR 68 N 0.13 1.55 0.30 5.22 1.51 -0.11 -3.35 117.35 122.59 1n8j s TYR 68 Ca -0.03 -1.16 -0.14 0.00 -1.01 0.00 0.00 57.07 54.72 1n8j s TYR 68 Cb -0.10 -1.24 -0.09 0.00 -0.11 0.00 0.00 41.96 40.43 1n8j s TYR 68 CO 0.01 -0.66 0.70 -1.54 -1.11 0.00 0.00 175.55 172.96 1n8j s SER 69 N 1.68 6.76 -0.03 2.29 1.04 -0.84 -0.77 113.70 123.82 1n8j s SER 69 Ca -0.02 1.22 -0.02 0.00 0.48 0.00 0.00 55.95 57.61 1n8j s SER 69 Cb -0.17 -2.35 0.02 0.00 0.10 0.00 0.00 66.02 63.62 1n8j s SER 69 CO -0.07 -0.17 0.07 -0.69 0.98 0.00 0.00 173.24 173.35 1n8j s VAL 70 N -1.94 -0.02 0.15 5.02 1.01 0.76 -0.98 120.40 124.40 1n8j s VAL 70 Ca 0.53 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 1n8j s VAL 70 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 1n8j s VAL 70 CO 0.18 0.03 0.27 -0.94 0.00 0.00 0.00 175.10 174.65 1n8j s SER 71 N 0.47 0.04 0.00 3.32 1.04 -1.21 -1.41 113.70 115.95 1n8j s SER 71 Ca -0.04 -0.80 0.10 0.00 0.48 0.00 0.00 55.95 55.70 1n8j s SER 71 Cb -0.05 0.42 0.61 0.00 0.10 0.00 0.00 66.02 67.10 1n8j s SER 71 CO -0.02 -0.86 1.30 0.35 0.98 0.00 0.00 173.24 174.99 1n8j n THR 72 N -0.19 0.00 -1.53 2.02 -2.24 -1.26 -1.20 114.28 109.88 1n8j n THR 72 Ca -0.09 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1n8j n THR 72 Cb 0.63 -0.24 0.14 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.44 3.37 0.68 3.42 1.01 -1.26 -3.29 116.67 119.15 1n8j s ASP 73 Ca 0.15 0.92 -0.04 0.00 0.71 0.00 0.00 52.55 54.29 1n8j s ASP 73 Cb 0.07 -1.45 0.07 0.00 1.01 0.00 0.00 42.92 42.62 1n8j s ASP 73 CO 0.12 -2.63 0.96 0.42 0.21 0.00 0.00 175.17 174.25 1n8j s THR 74 N -3.29 2.34 0.07 -1.27 -4.23 -1.26 -2.45 115.64 105.54 1n8j s THR 74 Ca 0.65 -0.42 0.25 0.00 -1.18 0.00 0.00 61.69 60.99 1n8j s THR 74 Cb -0.14 -2.93 0.26 0.00 1.34 0.00 0.00 72.50 71.04 1n8j s THR 74 CO 0.53 0.00 1.82 1.12 -0.54 0.00 0.00 174.62 177.55 1n8j h HIS 75 N -0.47 0.00 -0.59 3.99 2.07 -1.88 -2.66 115.15 115.60 1n8j h HIS 75 Ca -0.42 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.00 1n8j h HIS 75 Cb 1.30 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO 0.16 0.18 -0.01 0.74 -3.07 0.00 0.00 177.93 175.93 1n8j h PHE 76 N 0.00 1.13 -0.45 6.12 -1.00 -1.97 -1.49 116.94 119.29 1n8j h PHE 76 Ca -0.00 -0.19 -0.13 0.00 2.81 0.00 0.00 57.97 60.45 1n8j h PHE 76 Cb 0.76 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 1n8j h PHE 76 CO 0.00 1.00 -0.24 1.15 -1.61 0.00 0.00 178.31 178.62 1n8j h THR 77 N 0.95 1.27 -0.51 -1.55 2.02 -1.86 -1.91 112.91 111.32 1n8j h THR 77 Ca 0.17 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1n8j h THR 77 Cb 0.56 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1n8j h THR 77 CO 0.03 0.48 0.28 0.45 0.37 0.00 0.00 175.52 177.13 1n8j h HIS 78 N 0.80 0.69 -0.55 3.16 3.86 -1.21 0.40 115.15 122.30 1n8j h HIS 78 Ca 0.10 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1n8j h HIS 78 Cb 0.80 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 1n8j h HIS 78 CO 0.05 0.51 0.30 -0.22 0.86 0.00 0.00 177.93 179.43 1n8j h LYS 79 N 0.68 0.56 -0.54 2.45 3.64 -1.08 0.13 116.57 122.42 1n8j h LYS 79 Ca 0.18 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1n8j h LYS 79 Cb 0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1n8j h LYS 79 CO -0.03 0.37 0.20 0.00 -2.27 0.00 0.00 179.45 177.72 1n8j h ALA 80 N 1.28 0.70 -0.59 5.00 0.00 -0.80 -2.21 119.26 122.63 1n8j h ALA 80 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1n8j h ALA 80 Cb 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1n8j h ALA 80 CO -0.14 0.32 0.20 2.35 0.00 0.00 0.00 179.25 181.98 1n8j h TRP 81 N 0.73 0.94 -0.08 0.00 7.01 -0.48 -1.95 115.95 122.12 1n8j h TRP 81 Ca 0.18 -0.09 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1n8j h TRP 81 Cb 0.22 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1n8j h TRP 81 CO 0.01 0.77 0.06 1.25 -2.79 0.00 0.00 178.44 177.74 1n8j h HIS 82 N 0.83 0.00 0.00 2.65 2.76 -0.38 -1.78 115.15 119.23 1n8j h HIS 82 Ca 0.19 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1n8j h HIS 82 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 1n8j h HIS 82 CO 0.02 0.00 -0.49 0.77 -1.30 0.00 0.00 177.93 176.93 1n8j h SER 83 N 0.00 0.00 0.00 3.26 0.02 -0.76 -3.29 113.55 112.77 1n8j h SER 83 Ca 0.04 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1n8j h SER 83 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1n8j h SER 83 CO -0.00 0.02 -0.66 -1.54 -1.14 0.00 0.00 176.83 173.51 1n8j n SER 84 N -2.62 1.24 -4.45 3.07 3.41 -0.75 -4.96 113.62 108.55 1n8j n SER 84 Ca 0.03 -0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 57.83 1n8j n SER 84 Cb 0.50 1.11 -0.13 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.07 4.56 0.32 4.04 0.15 -0.75 -4.99 113.70 114.96 1n8j s SER 85 Ca 0.01 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1n8j s SER 85 Cb 0.05 -1.73 0.53 0.00 -1.71 0.00 0.00 66.02 63.16 1n8j s SER 85 CO 0.31 0.16 1.79 -0.33 1.20 0.00 0.00 173.24 176.37 1n8j h GLU 86 N 6.78 0.40 0.03 5.44 5.08 -1.90 -0.80 114.58 129.61 1n8j h GLU 86 Ca -0.30 -0.13 -0.22 0.00 -1.00 0.00 0.00 59.36 57.71 1n8j h GLU 86 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1n8j h GLU 86 CO 0.61 0.59 -1.00 1.79 -1.00 0.00 0.00 179.01 180.00 1n8j h THR 87 N 0.36 1.57 -0.01 1.13 1.35 -1.96 -3.16 112.91 112.20 1n8j h THR 87 Ca 0.06 -2.99 -0.15 0.00 -0.55 0.00 0.00 66.41 62.78 1n8j h THR 87 Cb 0.57 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.67 1n8j h THR 87 CO 0.04 0.86 -0.72 0.40 -0.25 0.00 0.00 175.52 175.86 1n8j h ILE 88 N 0.06 1.49 -0.11 6.82 1.08 -1.81 -3.04 117.51 121.99 1n8j h ILE 88 Ca -0.05 -2.39 0.03 0.00 -0.39 0.00 0.00 64.86 62.06 1n8j h ILE 88 Cb 1.69 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 37.73 1n8j h ILE 88 CO 0.15 0.69 0.10 0.00 -0.69 0.00 0.00 178.15 178.39 1n8j h ALA 89 N 1.24 1.87 0.00 1.87 0.00 -1.11 -0.49 119.26 122.64 1n8j h ALA 89 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 89 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n8j h ALA 89 CO 0.10 -0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.55 1n8j n LYS 90 N -4.13 0.56 -2.18 0.00 2.85 -1.15 -4.79 118.16 109.32 1n8j n LYS 90 Ca -0.00 0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1n8j n LYS 90 Cb 0.21 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 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 -2.43 3.54 -0.31 0.58 1.01 -0.19 -4.88 121.20 118.52 1n8j s ILE 91 Ca 0.32 0.99 0.03 0.00 0.00 0.00 0.00 60.65 62.00 1n8j s ILE 91 Cb 0.20 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1n8j s ILE 91 CO 0.43 0.02 0.43 0.29 0.00 0.00 0.00 174.94 176.10 1n8j n LYS 92 N 5.00 1.84 -2.53 2.79 5.02 -1.26 -4.76 118.16 124.26 1n8j n LYS 92 Ca 0.13 -0.44 -0.23 0.00 -2.02 0.00 0.00 58.31 55.75 1n8j n LYS 92 Cb 0.43 -0.91 0.07 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.63 2.41 0.10 2.13 -0.85 -1.26 -4.69 117.35 114.55 1n8j s TYR 93 Ca 0.03 -0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.26 1n8j s TYR 93 Cb 0.03 -2.94 -0.06 0.00 0.38 0.00 0.00 41.96 39.36 1n8j s TYR 93 CO 0.07 -1.29 1.11 0.00 -1.52 0.00 0.00 175.55 173.91 1n8j s ALA 94 N -3.00 3.33 -0.51 9.51 0.00 -1.21 -4.69 121.76 125.19 1n8j s ALA 94 Ca 0.61 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 53.26 1n8j s ALA 94 Cb -0.09 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.79 1n8j s ALA 94 CO 0.42 -0.28 0.37 -1.64 0.00 0.00 0.00 175.76 174.62 1n8j s MET 95 N 0.44 2.50 0.18 0.00 1.00 -0.06 -1.99 119.30 121.36 1n8j s MET 95 Ca 0.53 -1.92 -0.30 0.00 0.00 0.00 0.00 55.69 54.01 1n8j s MET 95 Cb -0.28 -3.89 -0.08 0.00 0.00 0.00 0.00 34.83 30.58 1n8j s MET 95 CO 0.31 -1.18 1.08 0.42 0.00 0.00 0.00 175.02 175.64 1n8j s ILE 96 N 1.07 3.93 -0.14 2.53 1.01 -0.15 -1.17 121.20 128.29 1n8j s ILE 96 Ca 0.08 1.68 -0.10 0.00 0.00 0.00 0.00 60.65 62.31 1n8j s ILE 96 Cb -0.24 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1n8j s ILE 96 CO -0.02 0.30 0.21 -0.83 0.00 0.00 0.00 174.94 174.60 1n8j s GLY 97 N -0.19 2.18 -0.43 6.18 0.00 -0.48 -3.32 107.32 111.26 1n8j s GLY 97 Ca 0.48 -0.55 0.10 0.00 0.00 0.00 0.00 44.72 44.75 1n8j s GLY 97 CO 0.34 0.03 0.90 1.34 0.00 0.00 0.00 173.10 175.71 1n8j n ASP 98 N 2.77 2.64 -0.08 1.64 2.03 -0.34 -4.32 116.55 120.89 1n8j n ASP 98 Ca -0.16 -3.26 0.14 0.00 0.52 0.00 0.00 54.79 52.03 1n8j n ASP 98 Cb 0.53 -0.56 0.54 0.00 -0.72 0.00 0.00 41.12 40.91 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 2.92 0.32 0.00 -0.67 0.13 -1.67 0.99 132.00 134.02 1n8j h PRO 99 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n8j h PRO 99 Cb 0.87 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1n8j h PRO 99 CO 0.65 0.21 0.00 1.79 -0.23 0.00 0.00 178.00 180.42 1n8j h THR 100 N 0.33 0.00 0.00 1.56 1.35 -1.92 -3.47 112.91 110.75 1n8j h THR 100 Ca 0.29 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1n8j h THR 100 Cb 0.70 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1n8j h THR 100 CO -0.07 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 1n8j n GLY 101 N 1.07 0.62 0.19 5.82 0.00 0.34 -4.92 105.19 108.31 1n8j n GLY 101 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 0.54 -0.42 4.61 0.00 -1.91 0.06 119.26 122.13 1n8j h ALA 102 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n8j h ALA 102 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1n8j h ALA 102 CO 0.00 0.09 0.27 1.25 0.00 0.00 0.00 179.25 180.87 1n8j h LEU 103 N 0.54 0.49 -0.70 0.00 6.46 -1.91 0.17 115.31 120.36 1n8j h LEU 103 Ca 0.14 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1n8j h LEU 103 Cb 0.11 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.88 1n8j h LEU 103 CO -0.02 0.37 0.44 0.74 -0.62 0.00 0.00 178.44 179.36 1n8j h THR 104 N 0.57 1.19 0.00 1.05 2.02 -1.87 -2.09 112.91 113.78 1n8j h THR 104 Ca 0.15 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1n8j h THR 104 Cb -0.04 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1n8j h THR 104 CO -0.03 0.19 -0.60 0.03 0.37 0.00 0.00 175.52 175.48 1n8j h ARG 105 N 0.95 0.00 -0.82 6.66 3.08 -0.57 -0.41 114.38 123.26 1n8j h ARG 105 Ca 0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.36 1n8j h ARG 105 Cb -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1n8j h ARG 105 CO -0.05 0.60 0.54 -0.91 -1.07 0.00 0.00 179.97 179.08 1n8j h ASN 106 N 0.00 0.80 -0.39 7.04 2.35 0.00 0.11 115.58 125.50 1n8j h ASN 106 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n8j h ASN 106 Cb 1.07 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1n8j h ASN 106 CO 0.08 0.52 0.00 0.49 -1.65 0.00 0.00 177.43 176.87 1n8j n PHE 107 N -4.48 0.85 -4.26 1.19 3.72 -0.93 -4.87 117.46 108.67 1n8j n PHE 107 Ca 0.12 -0.34 -0.32 0.00 -0.05 0.00 0.00 57.45 56.85 1n8j n PHE 107 Cb 0.20 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.58 -0.28 -0.44 4.37 2.03 0.39 -4.85 116.55 118.36 1n8j n ASP 108 Ca 0.15 -1.18 0.07 0.00 0.52 0.00 0.00 54.79 54.35 1n8j n ASP 108 Cb 0.55 -2.06 0.18 0.00 -0.72 0.00 0.00 41.12 39.08 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 1.90 -4.74 1.67 4.05 -0.21 -5.01 115.26 110.11 1n8j n ASN 109 Ca -0.20 -3.61 -0.35 0.00 0.45 0.00 0.00 54.58 50.87 1n8j n ASN 109 Cb 0.63 -0.49 -0.08 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 -3.07 4.14 -0.82 1.20 1.75 -1.26 -1.49 119.30 119.76 1n8j s MET 110 Ca 0.36 -0.20 -0.20 0.00 -1.25 0.00 0.00 55.69 54.40 1n8j s MET 110 Cb 0.34 -3.41 0.11 0.00 2.84 0.00 0.00 34.83 34.72 1n8j s MET 110 CO -0.04 0.33 1.04 1.03 -0.65 0.00 0.00 175.02 176.73 1n8j s ARG 111 N 0.27 3.42 0.24 4.11 0.52 -0.27 -4.92 118.95 122.33 1n8j s ARG 111 Ca 0.09 -1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 53.77 1n8j s ARG 111 Cb -0.11 -4.66 0.45 0.00 0.52 0.00 0.00 34.95 31.14 1n8j s ARG 111 CO -0.01 -1.75 1.75 0.93 0.02 0.00 0.00 175.30 176.23 1n8j h GLU 112 N 9.04 0.52 0.00 3.54 4.39 -1.96 0.28 114.58 130.40 1n8j h GLU 112 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1n8j h GLU 112 Cb 1.04 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1n8j h GLU 112 CO 1.12 0.34 0.00 -0.40 -1.16 0.00 0.00 179.01 178.91 1n8j n ASP 113 N -4.93 0.00 0.00 1.42 5.75 -1.26 -2.81 116.55 114.72 1n8j n ASP 113 Ca 0.14 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1n8j n ASP 113 Cb 0.38 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.21 1.96 -1.40 0.11 1.02 -0.47 -5.00 120.64 115.65 1n8j n GLU 114 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1n8j n GLU 114 Cb 0.11 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.64 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 2.00 1.26 3.33 0.62 0.00 -0.03 -5.00 105.19 107.36 1n8j n GLY 115 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.83 2.32 0.41 0.99 1.43 -1.21 -4.79 118.68 114.99 1n8j s LEU 116 Ca 0.00 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 1n8j s LEU 116 Cb 0.00 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 45.11 1n8j s LEU 116 CO 0.00 0.10 0.97 0.00 0.23 0.00 0.00 176.35 177.65 1n8j s ALA 117 N -1.18 3.06 0.82 4.21 0.00 -1.26 -1.11 121.76 126.30 1n8j s ALA 117 Ca 0.10 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1n8j s ALA 117 Cb -0.10 -3.19 0.08 0.00 0.00 0.00 0.00 23.12 19.92 1n8j s ALA 117 CO 0.05 0.04 1.11 -0.51 0.00 0.00 0.00 175.76 176.45 1n8j s ASP 118 N -1.94 4.34 -0.90 0.00 1.11 -0.56 -2.87 116.67 115.85 1n8j s ASP 118 Ca 0.59 1.18 -0.24 0.00 0.18 0.00 0.00 52.55 54.26 1n8j s ASP 118 Cb -0.14 -1.87 0.02 0.00 1.07 0.00 0.00 42.92 42.00 1n8j s ASP 118 CO 0.18 -2.05 1.56 -0.13 1.18 0.00 0.00 175.17 175.91 1n8j s ARG 119 N -5.22 3.19 0.03 8.23 0.52 -1.26 -4.01 118.95 120.44 1n8j s ARG 119 Ca 0.61 -0.60 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 1n8j s ARG 119 Cb -0.14 -4.96 -0.02 0.00 0.52 0.00 0.00 34.95 30.35 1n8j s ARG 119 CO 0.54 -2.50 -0.15 0.00 0.02 0.00 0.00 175.30 173.21 1n8j s ALA 120 N 6.62 1.27 -0.08 2.13 0.00 -1.12 -1.26 121.76 129.33 1n8j s ALA 120 Ca 0.51 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1n8j s ALA 120 Cb -0.04 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1n8j s ALA 120 CO 0.00 0.26 -0.18 0.99 0.00 0.00 0.00 175.76 176.83 1n8j s THR 121 N -0.78 1.57 -0.10 0.00 2.01 0.65 -0.15 115.64 118.84 1n8j s THR 121 Ca 0.03 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1n8j s THR 121 Cb -0.08 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1n8j s THR 121 CO 0.01 0.45 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.83 1n8j s PHE 122 N 0.44 2.22 -0.28 4.92 0.40 0.38 -1.92 117.98 124.15 1n8j s PHE 122 Ca -0.15 -0.93 -0.10 0.00 -0.60 0.00 0.00 56.93 55.15 1n8j s PHE 122 Cb -0.16 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.81 1n8j s PHE 122 CO 0.06 -0.41 0.15 0.08 0.70 0.00 0.00 175.22 175.80 1n8j s VAL 123 N 0.54 4.94 -0.12 -0.44 1.01 -0.76 -0.53 120.40 125.03 1n8j s VAL 123 Ca -0.15 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.84 1n8j s VAL 123 Cb -0.17 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1n8j s VAL 123 CO 0.05 0.25 -0.18 -0.69 0.00 0.00 0.00 175.10 174.53 1n8j s VAL 124 N 1.70 2.53 0.86 2.92 1.01 0.89 -0.71 120.40 129.59 1n8j s VAL 124 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1n8j s VAL 124 Cb -0.16 -2.02 0.12 0.00 0.00 0.00 0.00 36.38 34.32 1n8j s VAL 124 CO 0.08 0.54 1.22 1.51 0.00 0.00 0.00 175.10 178.45 1n8j s ASP 125 N 0.46 4.04 0.56 3.32 1.47 -0.08 -0.19 116.67 126.26 1n8j s ASP 125 Ca -0.13 0.58 0.27 0.00 1.18 0.00 0.00 52.55 54.45 1n8j s ASP 125 Cb -0.17 -0.92 1.49 0.00 -0.34 0.00 0.00 42.92 42.98 1n8j s ASP 125 CO 0.05 -2.17 1.98 -0.65 0.68 0.00 0.00 175.17 175.06 1n8j h PRO 126 N -1.23 0.00 -0.12 2.11 0.11 -1.81 0.19 132.00 131.25 1n8j h PRO 126 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.56 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.39 1n8j n GLN 127 N -4.03 1.54 -0.86 1.05 3.00 -1.26 -1.52 117.38 115.30 1n8j n GLN 127 Ca 0.08 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 1n8j n GLN 127 Cb 0.58 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.45 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 1.04 0.53 3.75 1.08 0.00 0.67 -4.93 105.19 107.34 1n8j n GLY 128 Ca 0.15 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 5.12 -0.22 -0.61 -1.09 -1.25 -0.84 121.20 120.30 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 37.07 1n8j s ILE 129 CO 0.00 0.40 1.34 -0.63 -1.23 0.00 0.00 174.94 174.82 1n8j s ILE 130 N 0.12 4.12 -0.08 2.92 1.01 -0.62 -0.90 121.20 127.77 1n8j s ILE 130 Ca 0.26 1.32 0.17 0.00 0.00 0.00 0.00 60.65 62.40 1n8j s ILE 130 Cb -0.16 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 38.05 1n8j s ILE 130 CO 0.12 -0.29 0.41 0.00 0.00 0.00 0.00 174.94 175.18 1n8j n GLN 131 N 7.04 0.60 -3.74 2.79 1.13 0.11 -0.60 117.38 124.71 1n8j n GLN 131 Ca 0.15 -0.15 -0.14 0.00 -1.94 0.00 0.00 57.00 54.93 1n8j n GLN 131 Cb 0.45 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 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 -3.17 -0.90 -0.04 -1.58 0.00 -1.23 -4.94 121.76 109.90 1n8j s ALA 132 Ca -0.05 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1n8j s ALA 132 Cb 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1n8j s ALA 132 CO 0.72 -0.24 0.09 0.42 0.00 0.00 0.00 175.76 176.75 1n8j s ILE 133 N -0.85 -0.01 -0.02 0.00 1.01 -1.26 -1.83 121.20 118.23 1n8j s ILE 133 Ca -0.09 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1n8j s ILE 133 Cb -0.04 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.30 1n8j s ILE 133 CO 0.04 0.02 -0.00 -0.70 0.00 0.00 0.00 174.94 174.29 1n8j s GLU 134 N 0.32 0.24 -0.02 2.79 2.12 -0.81 -4.99 118.70 118.34 1n8j s GLU 134 Ca -0.02 0.04 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1n8j s GLU 134 Cb -0.03 -0.38 0.01 0.00 0.26 0.00 0.00 34.13 33.99 1n8j s GLU 134 CO -0.01 -0.09 -0.03 0.08 -0.54 0.00 0.00 175.26 174.67 1n8j s VAL 135 N 0.73 0.35 0.23 3.70 1.01 -1.26 -0.25 120.40 124.91 1n8j s VAL 135 Ca -0.07 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1n8j s VAL 135 Cb -0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1n8j s VAL 135 CO -0.01 0.15 -0.06 0.42 0.00 0.00 0.00 175.10 175.60 1n8j s THR 136 N 0.54 1.38 0.90 3.92 -4.23 -0.39 -5.01 115.64 112.74 1n8j s THR 136 Ca -0.06 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.24 1n8j s THR 136 Cb -0.09 -2.26 0.13 0.00 1.34 0.00 0.00 72.50 71.61 1n8j s THR 136 CO -0.01 -0.42 1.10 0.00 -0.54 0.00 0.00 174.62 174.76 1n8j s ALA 137 N -3.19 1.49 0.41 3.99 0.00 -1.26 -4.02 121.76 119.17 1n8j s ALA 137 Ca 0.26 0.24 0.17 0.00 0.00 0.00 0.00 51.96 52.63 1n8j s ALA 137 Cb 0.04 -3.31 1.06 0.00 0.00 0.00 0.00 23.12 20.90 1n8j s ALA 137 CO 0.08 -2.49 1.84 1.49 0.00 0.00 0.00 175.76 176.68 1n8j h GLU 138 N -1.66 0.42 -0.22 0.00 4.57 -2.01 -2.31 114.58 113.38 1n8j h GLU 138 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1n8j h GLU 138 Cb 1.27 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1n8j h GLU 138 CO 0.49 0.28 0.00 0.41 -1.18 0.00 0.00 179.01 179.01 1n8j n GLY 139 N -1.50 0.91 3.23 1.92 0.00 -1.26 -4.82 105.19 103.66 1n8j n GLY 139 Ca 0.20 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.73 3.82 0.55 -0.61 1.01 -0.87 -5.08 121.20 118.28 1n8j s ILE 140 Ca 0.35 -1.50 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 1n8j s ILE 140 Cb 0.20 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1n8j s ILE 140 CO 0.30 -0.45 1.13 -0.83 0.00 0.00 0.00 174.94 175.08 1n8j s GLY 141 N 1.85 2.62 0.73 6.18 0.00 -1.26 -4.59 107.32 112.86 1n8j s GLY 141 Ca 0.02 0.82 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 1n8j s GLY 141 CO 0.00 1.18 1.03 0.50 0.00 0.00 0.00 173.10 175.81 1n8j s ARG 142 N -3.31 1.80 -0.21 2.90 0.52 -1.26 -5.09 118.95 114.29 1n8j s ARG 142 Ca 0.73 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 1n8j s ARG 142 Cb -0.24 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.07 1n8j s ARG 142 CO 0.28 -1.44 -0.06 0.34 0.02 0.00 0.00 175.30 174.44 1n8j s ASP 143 N -4.64 3.47 0.46 0.23 -1.08 -1.26 -4.90 116.67 108.95 1n8j s ASP 143 Ca 0.64 -0.98 0.21 0.00 -0.52 0.00 0.00 52.55 51.90 1n8j s ASP 143 Cb -0.08 -1.09 1.20 0.00 -1.46 0.00 0.00 42.92 41.50 1n8j s ASP 143 CO 0.45 -0.21 1.91 0.00 0.52 0.00 0.00 175.17 177.84 1n8j h ALA 144 N 8.02 2.34 -0.17 3.66 0.00 -1.91 -1.31 119.26 129.88 1n8j h ALA 144 Ca -0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1n8j h ALA 144 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1n8j h ALA 144 CO 0.42 -0.57 -0.01 0.66 0.00 0.00 0.00 179.25 179.75 1n8j h SER 145 N 0.26 0.21 -0.10 0.00 4.64 -1.95 -1.32 113.55 115.30 1n8j h SER 145 Ca 0.39 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 1n8j h SER 145 Cb 1.13 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1n8j h SER 145 CO -0.10 0.27 -0.45 0.44 -0.87 0.00 0.00 176.83 176.12 1n8j h ASP 146 N 0.23 0.70 -0.15 4.97 3.32 -1.68 -2.57 116.42 121.24 1n8j h ASP 146 Ca 0.06 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1n8j h ASP 146 Cb 0.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1n8j h ASP 146 CO 0.00 1.05 0.08 0.25 -1.72 0.00 0.00 179.24 178.90 1n8j h LEU 147 N 0.52 0.20 -0.85 1.55 5.85 -1.26 -2.47 115.31 118.85 1n8j h LEU 147 Ca 0.03 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1n8j h LEU 147 Cb 0.99 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1n8j h LEU 147 CO 0.09 0.25 0.54 -0.07 -0.34 0.00 0.00 178.44 178.92 1n8j h LEU 148 N 0.13 0.91 -0.48 2.25 3.38 -1.20 -0.12 115.31 120.17 1n8j h LEU 148 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1n8j h LEU 148 Cb 0.10 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1n8j h LEU 148 CO -0.01 0.62 0.30 -0.09 0.09 0.00 0.00 178.44 179.35 1n8j h ARG 149 N 1.06 0.58 -0.57 1.13 2.43 -1.29 0.84 114.38 118.57 1n8j h ARG 149 Ca 0.34 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1n8j h ARG 149 Cb 0.00 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1n8j h ARG 149 CO -0.11 0.38 -0.05 0.87 -1.51 0.00 0.00 179.97 179.55 1n8j h LYS 150 N 0.60 1.03 -0.32 0.20 1.57 -0.95 -1.51 116.57 117.20 1n8j h LYS 150 Ca 0.19 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1n8j h LYS 150 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1n8j h LYS 150 CO -0.07 1.04 0.18 0.82 -0.57 0.00 0.00 179.45 180.85 1n8j h ILE 151 N 0.93 1.12 -0.92 1.86 2.04 -0.55 0.18 117.51 122.18 1n8j h ILE 151 Ca 0.16 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1n8j h ILE 151 Cb 0.61 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1n8j h ILE 151 CO 0.04 0.12 0.57 0.11 0.00 0.00 0.00 178.15 178.99 1n8j h LYS 152 N 0.40 1.24 -0.39 2.37 1.57 -0.61 0.75 116.57 121.90 1n8j h LYS 152 Ca 0.11 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1n8j h LYS 152 Cb 0.04 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1n8j h LYS 152 CO -0.02 0.86 -0.31 0.00 -0.57 0.00 0.00 179.45 179.41 1n8j h ALA 153 N 1.36 0.72 -0.61 3.86 0.00 -0.94 -0.91 119.26 122.74 1n8j h ALA 153 Ca 0.33 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1n8j h ALA 153 Cb -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1n8j h ALA 153 CO -0.06 0.66 0.31 0.00 0.00 0.00 0.00 179.25 180.16 1n8j h ALA 154 N 0.93 0.78 -0.25 0.00 0.00 0.12 -1.28 119.26 119.56 1n8j h ALA 154 Ca 0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1n8j h ALA 154 Cb 0.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1n8j h ALA 154 CO 0.08 0.33 -0.43 1.96 0.00 0.00 0.00 179.25 181.19 1n8j h GLN 155 N 0.83 0.62 -0.11 0.00 4.20 -0.76 -2.81 115.11 117.08 1n8j h GLN 155 Ca 0.21 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1n8j h GLN 155 Cb 0.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1n8j h GLN 155 CO -0.03 0.93 0.06 -0.92 -0.67 0.00 0.00 178.83 178.20 1n8j h TYR 156 N 0.51 0.16 0.00 2.96 3.20 -0.72 -2.67 116.97 120.40 1n8j h TYR 156 Ca 0.04 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1n8j h TYR 156 Cb 0.95 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1n8j h TYR 156 CO 0.04 0.20 -0.23 -0.39 -1.64 0.00 0.00 178.16 176.14 1n8j h VAL 157 N 0.07 0.99 -0.01 1.81 -1.51 -1.23 -1.39 116.25 114.97 1n8j h VAL 157 Ca 0.04 -0.85 -0.16 0.00 -1.23 0.00 0.00 66.70 64.49 1n8j h VAL 157 Cb 0.10 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 1n8j h VAL 157 CO -0.01 0.23 -0.75 0.00 -1.23 0.00 0.00 177.57 175.82 1n8j h ALA 158 N 1.77 0.73 -0.01 5.19 0.00 -1.32 -3.18 119.26 122.44 1n8j h ALA 158 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1n8j h ALA 158 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1n8j h ALA 158 CO 0.03 0.87 -0.41 0.00 0.00 0.00 0.00 179.25 179.74 1n8j n ALA 159 N -2.43 3.41 -3.17 0.00 0.00 -1.02 -4.55 120.51 112.75 1n8j n ALA 159 Ca -0.02 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.69 1n8j n ALA 159 Cb 0.72 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.60 1.95 -1.64 0.00 -0.00 -0.55 -5.09 115.22 109.30 1n8j n HIS 160 Ca 0.10 -3.89 -0.44 0.00 -0.00 0.00 0.00 57.72 53.49 1n8j n HIS 160 Cb 0.38 -0.46 -0.01 0.00 -0.00 0.00 0.00 29.99 29.90 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 0.48 1.70 0.00 -0.41 -0.02 -1.25 -1.31 135.00 134.18 1n8j n PRO 161 Ca 0.27 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1n8j n PRO 161 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1n8j n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n8j n GLY 162 N 1.15 1.25 3.46 -1.23 0.00 -1.26 -5.05 105.19 103.51 1n8j n GLY 162 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.91 1.65 0.09 1.61 2.02 -0.43 -3.65 118.70 119.07 1n8j s GLU 163 Ca 0.00 -1.47 0.01 0.00 0.02 0.00 0.00 54.97 53.53 1n8j s GLU 163 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 1n8j s GLU 163 CO 0.00 0.41 -0.05 0.14 0.02 0.00 0.00 175.26 175.78 1n8j s VAL 164 N -1.69 0.53 -0.23 2.63 -7.23 -0.47 -4.82 120.40 109.12 1n8j s VAL 164 Ca 0.22 -1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 58.42 1n8j s VAL 164 Cb -0.08 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 1n8j s VAL 164 CO 0.11 -0.89 0.07 0.00 -0.31 0.00 0.00 175.10 174.09 1n8j s PRO 166 N 1.22 -1.12 0.35 0.00 0.04 -1.26 -4.90 135.00 129.32 1n8j s PRO 166 Ca 0.05 -0.19 -0.29 0.00 0.04 0.00 0.00 61.00 60.61 1n8j s PRO 166 Cb -0.14 -1.62 -0.11 0.00 0.04 0.00 0.00 34.50 32.66 1n8j s PRO 166 CO 0.04 -3.62 1.54 0.00 0.04 0.00 0.00 177.00 174.99 1n8j s ALA 167 N -3.15 3.64 0.00 8.56 0.00 -1.26 -2.46 121.76 127.09 1n8j s ALA 167 Ca 0.72 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.28 1n8j s ALA 167 Cb -0.08 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1n8j s ALA 167 CO 0.55 -1.06 0.00 1.63 0.00 0.00 0.00 175.76 176.89 1n8j n LYS 168 N 1.05 -0.94 -1.69 0.00 5.02 -1.26 -4.95 118.16 115.39 1n8j n LYS 168 Ca 0.04 0.23 -0.44 0.00 -2.02 0.00 0.00 58.31 56.12 1n8j n LYS 168 Cb 0.38 -4.01 -0.03 0.00 -0.02 0.00 0.00 35.03 31.35 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 -2.40 2.40 -4.33 2.13 -0.00 -1.03 -5.01 117.44 109.19 1n8j n TRP 169 Ca 0.00 0.28 -0.17 0.00 -0.00 0.00 0.00 57.50 57.61 1n8j n TRP 169 Cb 0.23 -2.55 -0.10 0.00 -0.00 0.00 0.00 31.31 28.90 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 0.35 1.30 0.07 5.87 1.02 -1.26 -4.88 119.74 122.20 1n8j s LYS 170 Ca 0.73 -1.61 -0.35 0.00 0.02 0.00 0.00 55.97 54.76 1n8j s LYS 170 Cb -0.62 -0.84 -0.14 0.00 -0.52 0.00 0.00 37.83 35.71 1n8j s LYS 170 CO 0.42 0.04 1.59 0.39 -0.92 0.00 0.00 175.35 176.88 1n8j n GLU 171 N -0.38 1.88 0.00 1.68 1.02 -1.26 -1.98 120.64 121.60 1n8j n GLU 171 Ca -0.07 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1n8j n GLU 171 Cb 0.62 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 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 3.45 2.93 3.91 0.62 0.00 -1.26 -5.08 105.19 109.76 1n8j n GLY 172 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.82 2.76 0.32 1.61 2.02 -0.84 -5.03 118.70 118.71 1n8j s GLU 173 Ca 0.00 0.13 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 1n8j s GLU 173 Cb 0.00 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.98 1n8j s GLU 173 CO 0.00 -0.93 1.17 0.00 0.02 0.00 0.00 175.26 175.52 1n8j s ALA 174 N -3.18 3.38 0.50 5.21 0.00 -1.26 -4.94 121.76 121.47 1n8j s ALA 174 Ca 0.57 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.60 1n8j s ALA 174 Cb -0.11 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1n8j s ALA 174 CO 0.48 -0.36 0.45 0.95 0.00 0.00 0.00 175.76 177.28 1n8j s THR 175 N -1.22 2.09 0.01 0.00 -4.23 -1.26 -4.70 115.64 106.33 1n8j s THR 175 Ca 0.48 -1.37 0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1n8j s THR 175 Cb -0.34 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.02 1n8j s THR 175 CO 0.43 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.61 1n8j s LEU 176 N -4.28 2.79 -0.38 4.79 1.43 -0.77 -4.97 118.68 117.29 1n8j s LEU 176 Ca 0.43 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1n8j s LEU 176 Cb -0.03 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.69 1n8j s LEU 176 CO 0.26 0.29 0.13 0.00 0.23 0.00 0.00 176.35 177.26 1n8j s ALA 177 N -0.89 3.03 0.18 4.21 0.00 -1.26 -1.37 121.76 125.66 1n8j s ALA 177 Ca 0.14 -2.52 -0.33 0.00 0.00 0.00 0.00 51.96 49.25 1n8j s ALA 177 Cb -0.11 -2.20 -0.14 0.00 0.00 0.00 0.00 23.12 20.67 1n8j s ALA 177 CO 0.05 -1.74 1.46 -2.30 0.00 0.00 0.00 175.76 173.23 1n8j n PRO 178 N 4.44 1.93 -3.52 0.00 -0.02 -1.24 -4.91 135.00 131.68 1n8j n PRO 178 Ca 0.00 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 62.01 1n8j n PRO 178 Cb 0.42 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.57 -0.61 0.36 2.55 1.04 -1.26 -5.03 113.70 111.31 1n8j s SER 179 Ca 0.75 0.63 0.14 0.00 0.48 0.00 0.00 55.95 57.96 1n8j s SER 179 Cb -0.71 0.51 1.00 0.00 0.10 0.00 0.00 66.02 66.92 1n8j s SER 179 CO 0.44 -0.59 1.76 0.25 0.98 0.00 0.00 173.24 176.07 1n8j h LEU 180 N 2.88 0.56 -1.00 2.42 6.46 -1.98 -1.40 115.31 123.23 1n8j h LEU 180 Ca -0.26 0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.50 1n8j h LEU 180 Cb 1.15 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1n8j h LEU 180 CO 0.38 0.11 -0.47 -0.78 -0.62 0.00 0.00 178.44 177.06 1n8j h ASP 181 N 0.49 0.00 1.60 1.25 1.82 -1.98 -3.07 116.42 116.53 1n8j h ASP 181 Ca 0.61 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 57.22 1n8j h ASP 181 Cb 1.36 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.37 1n8j h ASP 181 CO -0.37 0.47 -0.16 0.25 -1.61 0.00 0.00 179.24 177.82 1n8j h LEU 182 N 0.00 0.00 -8.82 2.28 6.46 -1.60 -3.43 115.31 110.20 1n8j h LEU 182 Ca -0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 1n8j h LEU 182 Cb 0.89 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1n8j h LEU 182 CO 0.06 0.16 1.30 0.52 -0.62 0.00 0.00 178.44 179.86 1n8j n VAL 183 N -3.17 0.30 0.00 1.05 0.31 -1.16 -0.76 118.33 114.90 1n8j n VAL 183 Ca 0.03 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1n8j n VAL 183 Cb 0.54 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 5.73 1.68 0.10 2.92 0.00 -1.26 -4.93 105.19 109.43 1n8j n GLY 184 Ca 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 1n8j n GLY 184 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1n8j h LYS 185 N 3.10 0.22 0.00 1.61 3.64 -1.22 -3.55 116.57 120.36 1n8j h LYS 185 Ca 0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1n8j h LYS 185 Cb 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1n8j h LYS 185 CO 0.00 1.18 0.00 -0.89 -2.27 0.00 0.00 179.45 177.47