#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 1.59 -4.72 2.46 4.77 -1.26 -4.92 117.00 114.92 1n8j n LEU 2 Ca 0.00 -0.62 -0.43 0.00 -0.03 0.00 0.00 56.01 54.94 1n8j n LEU 2 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1n8j n LEU 2 CO 0.00 0.31 1.15 0.00 -1.33 0.00 0.00 177.39 177.52 1n8j n ILE 3 N 0.25 1.08 -1.95 -0.08 0.13 -1.26 -1.71 119.36 115.82 1n8j n ILE 3 Ca 0.17 -0.27 -0.16 0.00 -1.10 0.00 0.00 62.75 61.40 1n8j n ILE 3 Cb 0.34 -1.79 -0.03 0.00 -0.84 0.00 0.00 39.64 37.31 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 2.03 -4.77 -4.52 9.51 4.05 0.12 -4.98 115.26 116.71 1n8j n ASN 4 Ca 0.09 0.15 -0.26 0.00 0.45 0.00 0.00 54.58 55.01 1n8j n ASN 4 Cb 0.35 -3.79 -0.10 0.00 1.23 0.00 0.00 39.78 37.47 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 -2.70 2.84 0.19 -0.44 -4.23 -0.69 -4.85 115.64 105.76 1n8j s THR 5 Ca 0.00 -1.91 -0.27 0.00 -1.18 0.00 0.00 61.69 58.33 1n8j s THR 5 Cb 0.00 -2.42 -0.08 0.00 1.34 0.00 0.00 72.50 71.34 1n8j s THR 5 CO 0.00 -0.18 0.85 -0.75 -0.54 0.00 0.00 174.62 174.00 1n8j s LYS 6 N -2.96 4.69 0.57 3.99 2.20 -1.26 -1.64 119.74 125.32 1n8j s LYS 6 Ca 0.25 1.30 -0.20 0.00 -0.36 0.00 0.00 55.97 56.96 1n8j s LYS 6 Cb -0.08 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1n8j s LYS 6 CO 0.14 0.52 1.20 0.96 -0.36 0.00 0.00 175.35 177.81 1n8j s ILE 7 N -1.04 2.72 0.27 5.43 -4.36 0.34 -4.97 121.20 119.58 1n8j s ILE 7 Ca 0.39 0.46 -0.05 0.00 -0.26 0.00 0.00 60.65 61.19 1n8j s ILE 7 Cb -0.24 -3.20 -0.05 0.00 1.25 0.00 0.00 42.46 40.22 1n8j s ILE 7 CO 0.29 -0.08 0.52 -0.54 0.24 0.00 0.00 174.94 175.37 1n8j s LYS 8 N -3.22 3.62 0.52 0.37 1.02 -1.26 -5.04 119.74 115.76 1n8j s LYS 8 Ca 0.75 -0.03 -0.22 0.00 0.02 0.00 0.00 55.97 56.49 1n8j s LYS 8 Cb -0.30 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.26 1n8j s LYS 8 CO 0.33 0.26 1.08 -0.35 -0.92 0.00 0.00 175.35 175.75 1n8j n PRO 9 N -0.82 1.30 -3.44 -1.68 -0.04 -1.26 -4.87 135.00 124.20 1n8j n PRO 9 Ca -0.02 0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 63.79 1n8j n PRO 9 Cb 0.54 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1n8j s PHE 10 N -1.37 -0.56 -0.18 0.54 -0.12 -1.26 -4.98 117.98 110.06 1n8j s PHE 10 Ca 0.70 0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 58.00 1n8j s PHE 10 Cb -0.47 0.53 0.08 0.00 -0.63 0.00 0.00 43.02 42.54 1n8j s PHE 10 CO 0.52 -0.81 0.22 0.21 -0.05 0.00 0.00 175.22 175.31 1n8j s LYS 11 N -3.31 0.16 0.04 1.99 2.20 -1.26 -3.13 119.74 116.44 1n8j s LYS 11 Ca -0.01 0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1n8j s LYS 11 Cb -0.01 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 1n8j s LYS 11 CO -0.09 -0.55 -0.05 -0.80 -0.36 0.00 0.00 175.35 173.50 1n8j s ASN 12 N 2.34 0.57 0.23 1.43 -0.87 -0.40 -4.99 114.94 113.26 1n8j s ASN 12 Ca 0.06 -0.68 -0.12 0.00 -1.57 0.00 0.00 52.86 50.55 1n8j s ASN 12 Cb -0.15 0.10 -0.08 0.00 -0.02 0.00 0.00 41.25 41.11 1n8j s ASN 12 CO -0.11 -0.36 0.59 -1.10 -2.57 0.00 0.00 177.10 173.56 1n8j s GLN 13 N -2.29 3.88 0.19 -0.60 -1.52 -1.26 -0.58 119.66 117.48 1n8j s GLN 13 Ca -0.06 0.40 -0.10 0.00 -1.95 0.00 0.00 55.36 53.65 1n8j s GLN 13 Cb -0.04 -2.66 -0.01 0.00 -0.22 0.00 0.00 33.01 30.08 1n8j s GLN 13 CO -0.03 0.31 0.35 0.00 -0.25 0.00 0.00 175.29 175.67 1n8j s ALA 14 N -1.78 -0.06 -0.12 6.09 0.00 0.02 -1.26 121.76 124.65 1n8j s ALA 14 Ca 0.47 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1n8j s ALA 14 Cb -0.12 0.96 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1n8j s ALA 14 CO 0.20 -0.71 -0.07 0.12 0.00 0.00 0.00 175.76 175.29 1n8j s PHE 15 N -3.99 2.94 -0.17 0.00 5.36 -0.36 -1.44 117.98 120.32 1n8j s PHE 15 Ca 0.20 -0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 55.84 1n8j s PHE 15 Cb 0.02 -1.84 0.08 0.00 -0.34 0.00 0.00 43.02 40.94 1n8j s PHE 15 CO 0.03 0.06 0.37 0.21 -1.46 0.00 0.00 175.22 174.43 1n8j s LYS 16 N -0.08 0.28 -0.98 10.12 2.20 0.22 -0.95 119.74 130.54 1n8j s LYS 16 Ca 0.00 0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 56.26 1n8j s LYS 16 Cb -0.13 0.19 0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1n8j s LYS 16 CO 0.03 -0.25 0.55 0.09 -0.36 0.00 0.00 175.35 175.41 1n8j n ASN 17 N 5.26 -3.35 0.00 1.43 3.02 -1.26 -1.23 115.26 119.13 1n8j n ASN 17 Ca -0.09 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1n8j n ASN 17 Cb 0.50 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 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 -1.88 1.15 3.11 7.41 0.00 -1.26 -5.03 105.19 108.68 1n8j n GLY 18 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.23 0.62 -0.23 1.61 -1.05 -0.36 -5.14 118.70 113.92 1n8j s GLU 19 Ca 0.00 -0.97 -0.15 0.00 -0.15 0.00 0.00 54.97 53.70 1n8j s GLU 19 Cb 0.00 0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 1n8j s GLU 19 CO 0.00 -0.15 0.35 -0.06 0.95 0.00 0.00 175.26 176.35 1n8j s PHE 20 N -3.29 3.32 0.37 4.83 0.08 -1.26 -0.61 117.98 121.42 1n8j s PHE 20 Ca 0.01 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.59 1n8j s PHE 20 Cb 0.03 -2.50 -0.05 0.00 -0.57 0.00 0.00 43.02 39.93 1n8j s PHE 20 CO -0.08 -0.07 0.06 0.96 -0.10 0.00 0.00 175.22 175.99 1n8j s ILE 21 N 1.51 1.24 -0.08 0.64 -4.36 -0.52 -4.95 121.20 114.67 1n8j s ILE 21 Ca 0.16 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1n8j s ILE 21 Cb -0.15 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.84 1n8j s ILE 21 CO 0.08 0.00 -0.09 -0.70 0.24 0.00 0.00 174.94 174.47 1n8j s GLU 22 N -3.83 2.90 -0.05 0.37 2.12 -1.26 -0.80 118.70 118.15 1n8j s GLU 22 Ca 0.31 -0.59 0.06 0.00 0.36 0.00 0.00 54.97 55.11 1n8j s GLU 22 Cb 0.07 -2.60 -0.01 0.00 0.26 0.00 0.00 34.13 31.85 1n8j s GLU 22 CO 0.15 0.55 -0.22 0.08 -0.54 0.00 0.00 175.26 175.27 1n8j s VAL 23 N -0.50 1.84 0.37 3.70 1.01 0.25 -4.98 120.40 122.09 1n8j s VAL 23 Ca 0.07 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1n8j s VAL 23 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1n8j s VAL 23 CO 0.02 0.52 0.16 0.42 0.00 0.00 0.00 175.10 176.22 1n8j s THR 24 N -0.13 0.44 0.22 3.92 -4.23 -1.26 -1.27 115.64 113.33 1n8j s THR 24 Ca -0.03 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.83 1n8j s THR 24 Cb -0.13 -2.42 0.38 0.00 1.34 0.00 0.00 72.50 71.67 1n8j s THR 24 CO 0.03 0.00 2.04 1.05 -0.54 0.00 0.00 174.62 177.20 1n8j h GLU 25 N 1.96 0.00 -0.22 3.99 9.09 -1.88 -2.17 114.58 125.35 1n8j h GLU 25 Ca -0.33 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.07 1n8j h GLU 25 Cb 1.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 1n8j h GLU 25 CO 0.52 0.03 0.10 0.87 0.05 0.00 0.00 179.01 180.58 1n8j h LYS 26 N 0.00 0.29 0.00 1.06 6.56 -1.96 -1.14 116.57 121.39 1n8j h LYS 26 Ca -0.00 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1n8j h LYS 26 Cb 0.43 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 1n8j h LYS 26 CO 0.00 0.24 0.00 -0.44 -2.06 0.00 0.00 179.45 177.19 1n8j h ASP 27 N 0.30 0.00 0.37 0.86 3.32 -1.79 -3.12 116.42 116.35 1n8j h ASP 27 Ca 0.08 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1n8j h ASP 27 Cb 0.04 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1n8j h ASP 27 CO -0.01 0.00 -1.72 0.35 -1.72 0.00 0.00 179.24 176.14 1n8j n THR 28 N -3.08 0.66 -1.68 0.35 -2.24 -0.47 -4.89 114.28 102.93 1n8j n THR 28 Ca 0.00 -0.62 -0.45 0.00 -2.27 0.00 0.00 64.05 60.72 1n8j n THR 28 Cb 0.30 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.58 2.23 -0.99 -0.78 1.02 -0.98 -1.63 120.64 116.94 1n8j n GLU 29 Ca -0.10 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 1n8j n GLU 29 Cb 0.73 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 2.92 0.74 3.23 0.62 0.00 -0.29 -5.02 105.19 107.39 1n8j n GLY 30 Ca 0.14 0.00 -0.13 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 1.00 0.06 1.61 0.52 -0.64 -4.84 118.95 116.65 1n8j s ARG 31 Ca 0.00 -1.42 -0.23 0.00 -0.52 0.00 0.00 55.73 53.56 1n8j s ARG 31 Cb 0.00 -0.52 -0.06 0.00 0.52 0.00 0.00 34.95 34.89 1n8j s ARG 31 CO 0.00 0.05 0.69 -1.58 0.02 0.00 0.00 175.30 174.48 1n8j s TRP 32 N -3.40 3.77 0.02 -0.53 0.52 -1.20 -3.07 118.94 115.05 1n8j s TRP 32 Ca 0.15 1.40 0.04 0.00 0.02 0.00 0.00 56.10 57.71 1n8j s TRP 32 Cb 0.03 -2.70 -0.02 0.00 -1.15 0.00 0.00 33.47 29.64 1n8j s TRP 32 CO -0.01 0.40 -0.11 -1.12 0.02 0.00 0.00 176.95 176.14 1n8j s SER 33 N -0.51 1.26 -0.20 2.95 0.01 0.32 -0.63 113.70 116.90 1n8j s SER 33 Ca 0.34 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.25 1n8j s SER 33 Cb -0.20 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1n8j s SER 33 CO 0.21 0.01 -0.17 -0.69 0.41 0.00 0.00 173.24 173.01 1n8j s VAL 34 N -0.72 2.07 -0.37 3.43 1.01 -0.14 0.34 120.40 126.03 1n8j s VAL 34 Ca -0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 1n8j s VAL 34 Cb -0.07 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1n8j s VAL 34 CO 0.01 0.38 0.45 -0.36 0.00 0.00 0.00 175.10 175.58 1n8j s PHE 35 N 1.25 3.18 -0.57 5.22 0.40 0.44 -1.19 117.98 126.71 1n8j s PHE 35 Ca 0.01 -0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.20 1n8j s PHE 35 Cb -0.15 -2.86 0.14 0.00 0.51 0.00 0.00 43.02 40.67 1n8j s PHE 35 CO -0.11 -0.56 0.46 0.12 0.70 0.00 0.00 175.22 175.82 1n8j s PHE 36 N 2.23 3.46 0.17 0.36 5.36 0.42 -1.23 117.98 128.75 1n8j s PHE 36 Ca 0.15 -1.94 -0.20 0.00 -0.96 0.00 0.00 56.93 53.99 1n8j s PHE 36 Cb -0.16 -3.56 -0.08 0.00 -0.34 0.00 0.00 43.02 38.89 1n8j s PHE 36 CO 0.13 -0.98 0.67 -0.06 -1.46 0.00 0.00 175.22 173.53 1n8j s PHE 37 N 0.98 3.72 0.03 10.12 0.40 0.45 -0.10 117.98 133.57 1n8j s PHE 37 Ca 0.09 1.35 -0.08 0.00 -0.60 0.00 0.00 56.93 57.69 1n8j s PHE 37 Cb -0.23 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.72 1n8j s PHE 37 CO -0.02 0.43 0.16 1.52 0.70 0.00 0.00 175.22 178.01 1n8j s TYR 38 N -1.37 0.09 0.07 0.36 -0.85 -0.31 -3.01 117.35 112.32 1n8j s TYR 38 Ca 0.38 -0.30 -0.28 0.00 -0.52 0.00 0.00 57.07 56.36 1n8j s TYR 38 Cb -0.18 -0.06 -0.13 0.00 0.38 0.00 0.00 41.96 41.96 1n8j s TYR 38 CO 0.21 -0.38 1.43 -1.35 -1.52 0.00 0.00 175.55 173.94 1n8j h PRO 39 N 3.69 -0.74 -2.61 -3.49 0.11 -1.76 -3.38 132.00 123.82 1n8j h PRO 39 Ca -0.32 0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1n8j h PRO 39 Cb 1.19 0.17 -0.16 0.00 0.11 0.00 0.00 31.00 32.31 1n8j h PRO 39 CO 0.47 -0.50 0.11 0.00 -0.21 0.00 0.00 178.00 177.88 1n8j s ALA 40 N -5.24 -1.50 0.92 -0.75 0.00 -1.26 -4.21 121.76 109.71 1n8j s ALA 40 Ca -0.14 0.77 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1n8j s ALA 40 Cb 0.03 0.38 0.14 0.00 0.00 0.00 0.00 23.12 23.68 1n8j s ALA 40 CO 0.46 -0.52 1.10 -0.51 0.00 0.00 0.00 175.76 176.29 1n8j s ASP 41 N -1.92 3.35 -1.66 0.00 1.11 -1.26 -3.74 116.67 112.55 1n8j s ASP 41 Ca -0.06 1.27 0.00 0.00 0.18 0.00 0.00 52.55 53.95 1n8j s ASP 41 Cb -0.01 -1.94 0.00 0.00 1.07 0.00 0.00 42.92 42.04 1n8j s ASP 41 CO -0.01 -2.69 0.00 0.49 1.18 0.00 0.00 175.17 174.14 1n8j n PHE 42 N -3.89 -0.84 -1.69 4.23 3.01 -1.26 -4.97 117.46 112.05 1n8j n PHE 42 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1n8j n PHE 42 Cb 0.57 -3.46 0.00 0.00 -0.01 0.00 0.00 39.48 36.58 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 -3.33 0.00 -0.04 4.37 -2.24 -1.25 -5.11 114.28 106.68 1n8j n THR 43 Ca -0.21 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 1n8j n THR 43 Cb 0.64 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.03 4.78 3.72 -1.26 -4.61 117.46 120.06 1n8j n PHE 44 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1n8j n PHE 44 Cb 0.00 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.08 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 -0.53 1.46 -0.86 -4.37 2.07 -1.97 -3.32 116.25 108.72 1n8j h VAL 45 Ca -0.14 -1.53 0.22 0.00 0.82 0.00 0.00 66.70 66.07 1n8j h VAL 45 Cb 0.83 2.38 -0.14 0.00 -1.52 0.00 0.00 31.29 32.84 1n8j h VAL 45 CO -0.09 0.42 0.16 0.28 0.02 0.00 0.00 177.57 178.36 1n8j h SER 46 N -0.41 -0.13 -0.66 0.57 0.02 -1.90 -0.25 113.55 110.78 1n8j h SER 46 Ca -0.00 0.21 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1n8j h SER 46 Cb 0.74 0.31 -0.07 0.00 0.14 0.00 0.00 62.40 63.52 1n8j h SER 46 CO 0.02 -0.18 0.29 -0.65 -1.14 0.00 0.00 176.83 175.17 1n8j h PRO 47 N 0.16 0.49 -0.40 3.45 0.11 -1.82 -0.32 132.00 133.67 1n8j h PRO 47 Ca 0.53 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.52 1n8j h PRO 47 Cb 1.04 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 1n8j h PRO 47 CO -0.69 0.32 -0.11 1.79 -0.21 0.00 0.00 178.00 179.11 1n8j h THR 48 N 0.51 1.25 -0.44 -1.15 1.35 -1.20 -0.40 112.91 112.82 1n8j h THR 48 Ca 0.33 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.94 1n8j h THR 48 Cb 0.38 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 1n8j h THR 48 CO -0.29 0.38 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.84 1n8j h GLU 49 N 0.64 0.91 -0.46 4.72 5.08 -1.00 -1.15 114.58 123.34 1n8j h GLU 49 Ca 0.11 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1n8j h GLU 49 Cb 0.56 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1n8j h GLU 49 CO 0.03 1.05 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.77 1n8j h LEU 50 N 0.74 1.00 -0.49 1.33 3.38 -0.83 -2.18 115.31 118.27 1n8j h LEU 50 Ca 0.10 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 1n8j h LEU 50 Cb 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1n8j h LEU 50 CO 0.06 1.19 0.07 1.23 0.09 0.00 0.00 178.44 181.08 1n8j h GLY 51 N 0.87 0.88 0.71 0.83 0.00 -1.02 -0.28 103.07 105.06 1n8j h GLY 51 Ca 0.10 -0.59 0.05 0.00 0.00 0.00 0.00 47.33 46.89 1n8j h GLY 51 CO 0.07 0.55 0.35 -1.80 0.00 0.00 0.00 176.54 175.70 1n8j h ASP 52 N 0.69 0.51 -0.37 0.19 -0.00 -1.10 0.39 116.42 116.74 1n8j h ASP 52 Ca 0.15 0.03 -0.06 0.00 -0.00 0.00 0.00 57.03 57.14 1n8j h ASP 52 Cb 0.40 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 1n8j h ASP 52 CO 0.01 0.34 -0.02 0.58 -0.00 0.00 0.00 179.24 180.15 1n8j h VAL 53 N 0.65 1.26 -0.13 2.25 2.07 -1.15 -2.38 116.25 118.81 1n8j h VAL 53 Ca 0.28 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1n8j h VAL 53 Cb 0.15 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1n8j h VAL 53 CO -0.17 0.34 0.08 0.00 0.02 0.00 0.00 177.57 177.85 1n8j h ALA 54 N 0.86 1.89 0.00 1.67 0.00 0.06 0.14 119.26 123.89 1n8j h ALA 54 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n8j h ALA 54 Cb 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n8j h ALA 54 CO 0.02 0.10 -0.21 -0.44 0.00 0.00 0.00 179.25 178.72 1n8j h ASP 55 N 0.18 0.00 -0.35 0.00 3.32 0.26 -2.69 116.42 117.14 1n8j h ASP 55 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1n8j h ASP 55 Cb -0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1n8j h ASP 55 CO -0.01 0.21 0.00 1.41 -1.72 0.00 0.00 179.24 179.13 1n8j n HIS 56 N -3.79 0.45 -0.19 4.55 8.25 -0.08 -4.60 115.22 119.82 1n8j n HIS 56 Ca -0.02 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1n8j n HIS 56 Cb 0.31 -0.01 0.25 0.00 1.12 0.00 0.00 29.99 31.66 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 0.90 -0.49 4.41 3.20 -0.89 -0.21 116.97 127.30 1n8j h TYR 57 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1n8j h TYR 57 Cb 0.83 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1n8j h TYR 57 CO 0.22 0.60 0.23 1.49 -1.64 0.00 0.00 178.16 179.06 1n8j h GLU 58 N 0.96 0.43 -0.21 1.82 4.81 -1.81 -0.07 114.58 120.51 1n8j h GLU 58 Ca 0.25 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1n8j h GLU 58 Cb -0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1n8j h GLU 58 CO -0.05 0.28 0.06 1.49 -0.73 0.00 0.00 179.01 180.06 1n8j h GLU 59 N 0.44 0.32 -0.74 1.92 4.81 -1.70 -2.07 114.58 117.57 1n8j h GLU 59 Ca 0.22 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1n8j h GLU 59 Cb 0.16 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1n8j h GLU 59 CO -0.18 0.43 0.42 -0.07 -0.73 0.00 0.00 179.01 178.89 1n8j h LEU 60 N 0.15 0.90 -0.47 1.64 3.38 -0.83 -1.98 115.31 118.10 1n8j h LEU 60 Ca 0.07 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1n8j h LEU 60 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1n8j h LEU 60 CO -0.00 0.71 -0.14 1.56 0.09 0.00 0.00 178.44 180.66 1n8j h GLN 61 N 1.02 0.93 -0.24 1.13 1.08 -0.87 0.24 115.11 118.40 1n8j h GLN 61 Ca 0.26 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1n8j h GLN 61 Cb -0.00 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1n8j h GLN 61 CO -0.05 1.02 0.11 0.87 -0.95 0.00 0.00 178.83 179.84 1n8j h LYS 62 N 0.78 0.32 0.00 1.46 1.57 -0.97 0.16 116.57 119.89 1n8j h LYS 62 Ca 0.12 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1n8j h LYS 62 Cb 0.70 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1n8j h LYS 62 CO 0.05 0.26 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 1n8j n LEU 63 N -4.45 0.00 -1.23 2.94 4.77 -0.78 -4.89 117.00 113.36 1n8j n LEU 63 Ca 0.00 0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1n8j n LEU 63 Cb 0.11 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1n8j n LEU 63 CO 0.35 -0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.99 1n8j n GLY 64 N 0.99 0.15 3.42 -0.72 0.00 0.58 -4.96 105.19 104.65 1n8j n GLY 64 Ca 0.20 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1n8j n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n8j s VAL 65 N -2.67 3.59 0.02 1.61 1.01 0.77 -3.24 120.40 121.49 1n8j s VAL 65 Ca 0.08 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1n8j s VAL 65 Cb -0.04 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1n8j s VAL 65 CO 0.10 0.48 0.30 -1.81 0.00 0.00 0.00 175.10 174.18 1n8j s ASP 66 N 0.67 6.54 -0.07 3.32 1.01 0.20 -4.00 116.67 124.34 1n8j s ASP 66 Ca -0.03 0.63 0.04 0.00 0.71 0.00 0.00 52.55 53.90 1n8j s ASP 66 Cb -0.15 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 1n8j s ASP 66 CO 0.02 0.24 -0.19 -0.69 0.21 0.00 0.00 175.17 174.76 1n8j s VAL 67 N -1.31 2.62 -0.26 -1.27 1.01 -1.26 -0.96 120.40 118.96 1n8j s VAL 67 Ca 0.29 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1n8j s VAL 67 Cb -0.13 -2.01 0.08 0.00 0.00 0.00 0.00 36.38 34.31 1n8j s VAL 67 CO 0.16 0.57 0.02 -0.31 0.00 0.00 0.00 175.10 175.54 1n8j s TYR 68 N -0.27 2.05 0.34 5.22 1.51 -0.33 -3.50 117.35 122.37 1n8j s TYR 68 Ca 0.01 -1.70 -0.24 0.00 -1.01 0.00 0.00 57.07 54.13 1n8j s TYR 68 Cb -0.13 -1.65 -0.10 0.00 -0.11 0.00 0.00 41.96 39.97 1n8j s TYR 68 CO 0.03 -0.79 0.92 -1.54 -1.11 0.00 0.00 175.55 173.06 1n8j s SER 69 N 1.51 7.19 -0.02 2.29 1.04 -0.89 -0.43 113.70 124.39 1n8j s SER 69 Ca 0.02 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1n8j s SER 69 Cb -0.18 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.41 1n8j s SER 69 CO -0.13 -0.14 0.01 -0.69 0.98 0.00 0.00 173.24 173.28 1n8j s VAL 70 N -1.78 0.02 0.14 5.02 1.01 0.85 -0.33 120.40 125.34 1n8j s VAL 70 Ca 0.53 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 1n8j s VAL 70 Cb -0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.09 1n8j s VAL 70 CO 0.20 0.08 0.21 -0.94 0.00 0.00 0.00 175.10 174.66 1n8j s SER 71 N 0.79 0.13 0.00 3.32 1.04 -1.20 -1.16 113.70 116.62 1n8j s SER 71 Ca -0.07 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 55.52 1n8j s SER 71 Cb -0.10 0.38 0.52 0.00 0.10 0.00 0.00 66.02 66.92 1n8j s SER 71 CO -0.02 -0.83 1.34 0.35 0.98 0.00 0.00 173.24 175.06 1n8j n THR 72 N -0.16 0.03 -1.74 2.02 -2.24 -1.26 -1.19 114.28 109.74 1n8j n THR 72 Ca -0.08 -0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 1n8j n THR 72 Cb 0.63 -0.09 0.11 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.27 4.04 0.74 3.42 1.01 -1.26 -3.34 116.67 120.01 1n8j s ASP 73 Ca 0.14 0.85 -0.06 0.00 0.71 0.00 0.00 52.55 54.19 1n8j s ASP 73 Cb 0.07 -1.36 0.10 0.00 1.01 0.00 0.00 42.92 42.74 1n8j s ASP 73 CO 0.11 -2.21 1.05 0.42 0.21 0.00 0.00 175.17 174.75 1n8j s THR 74 N -3.46 2.22 0.01 -1.27 -4.23 -1.26 -2.00 115.64 105.65 1n8j s THR 74 Ca 0.63 -0.34 0.21 0.00 -1.18 0.00 0.00 61.69 61.00 1n8j s THR 74 Cb -0.12 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1n8j s THR 74 CO 0.51 0.00 1.69 1.12 -0.54 0.00 0.00 174.62 177.40 1n8j h HIS 75 N -0.72 0.00 -0.34 3.99 2.07 -1.88 -2.85 115.15 115.41 1n8j h HIS 75 Ca -0.42 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.07 1n8j h HIS 75 Cb 1.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.25 1n8j h HIS 75 CO -0.09 0.30 0.11 0.74 -3.07 0.00 0.00 177.93 175.92 1n8j h PHE 76 N 0.00 0.55 -0.88 6.12 -1.00 -1.96 -1.77 116.94 117.99 1n8j h PHE 76 Ca -0.00 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1n8j h PHE 76 Cb 0.96 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1n8j h PHE 76 CO 0.00 0.53 0.55 1.15 -1.61 0.00 0.00 178.31 178.93 1n8j h THR 77 N 0.40 1.24 -0.44 -1.55 2.02 -1.91 -1.46 112.91 111.22 1n8j h THR 77 Ca 0.11 -0.51 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1n8j h THR 77 Cb 0.24 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 1n8j h THR 77 CO -0.00 0.25 0.27 0.45 0.37 0.00 0.00 175.52 176.85 1n8j h HIS 78 N 1.21 0.57 -0.47 3.16 3.86 -1.26 0.17 115.15 122.40 1n8j h HIS 78 Ca 0.32 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.55 1n8j h HIS 78 Cb -0.07 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1n8j h HIS 78 CO -0.00 0.39 0.29 -0.22 0.86 0.00 0.00 177.93 179.24 1n8j h LYS 79 N 0.58 0.56 -0.48 2.45 3.64 -0.80 0.22 116.57 122.75 1n8j h LYS 79 Ca 0.16 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1n8j h LYS 79 Cb -0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1n8j h LYS 79 CO -0.03 0.37 0.13 0.00 -2.27 0.00 0.00 179.45 177.65 1n8j h ALA 80 N 1.19 1.33 -0.32 5.00 0.00 -0.87 -2.35 119.26 123.25 1n8j h ALA 80 Ca 0.18 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1n8j h ALA 80 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1n8j h ALA 80 CO -0.07 0.48 -0.42 2.35 0.00 0.00 0.00 179.25 181.59 1n8j h TRP 81 N 0.70 0.95 0.00 0.00 7.01 0.02 -2.08 115.95 122.55 1n8j h TRP 81 Ca 0.16 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 60.87 1n8j h TRP 81 Cb 0.24 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1n8j h TRP 81 CO 0.01 1.07 0.00 1.25 -2.79 0.00 0.00 178.44 177.98 1n8j h HIS 82 N 0.64 0.00 0.01 2.65 2.76 -0.09 -1.59 115.15 119.53 1n8j h HIS 82 Ca 0.05 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 57.87 1n8j h HIS 82 Cb 0.99 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.89 1n8j h HIS 82 CO 0.05 0.00 -2.14 0.43 -1.30 0.00 0.00 177.93 174.97 1n8j n SER 83 N -2.95 0.53 0.05 3.26 7.64 -0.99 -3.71 113.62 117.45 1n8j n SER 83 Ca -0.01 0.15 0.11 0.00 1.01 0.00 0.00 58.87 60.13 1n8j n SER 83 Cb 0.17 0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1n8j n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n8j n SER 84 N -2.92 0.57 -4.46 6.43 3.41 -0.82 -4.88 113.62 110.95 1n8j n SER 84 Ca -0.28 0.11 -0.34 0.00 -0.26 0.00 0.00 58.87 58.09 1n8j n SER 84 Cb 1.11 0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 65.86 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 -4.77 4.82 0.40 4.04 0.15 -0.62 -4.99 113.70 112.73 1n8j s SER 85 Ca -0.01 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 56.62 1n8j s SER 85 Cb 0.12 -1.81 0.85 0.00 -1.71 0.00 0.00 66.02 63.47 1n8j s SER 85 CO 0.82 0.10 1.86 -0.33 1.20 0.00 0.00 173.24 176.89 1n8j h GLU 86 N 7.23 0.00 0.08 5.44 4.39 -1.89 0.84 114.58 130.66 1n8j h GLU 86 Ca -0.34 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.06 1n8j h GLU 86 Cb 1.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1n8j h GLU 86 CO 0.62 0.32 -1.51 1.79 -1.16 0.00 0.00 179.01 179.07 1n8j h THR 87 N 0.00 1.15 0.00 1.13 1.35 -1.95 -3.28 112.91 111.32 1n8j h THR 87 Ca -0.00 -2.85 -0.10 0.00 -0.55 0.00 0.00 66.41 62.91 1n8j h THR 87 Cb 0.63 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 1n8j h THR 87 CO 0.04 0.78 -0.48 0.40 -0.25 0.00 0.00 175.52 176.01 1n8j h ILE 88 N 0.05 1.12 0.00 6.82 1.08 -1.82 -2.75 117.51 122.01 1n8j h ILE 88 Ca -0.23 -1.79 -0.00 0.00 -0.39 0.00 0.00 64.86 62.45 1n8j h ILE 88 Cb 1.98 2.03 -0.00 0.00 -3.07 0.00 0.00 36.82 37.76 1n8j h ILE 88 CO 0.14 0.47 -0.00 0.00 -0.69 0.00 0.00 178.15 178.07 1n8j h ALA 89 N 1.52 1.02 -0.24 1.87 0.00 -0.88 -1.46 119.26 121.08 1n8j h ALA 89 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n8j h ALA 89 Cb 0.99 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1n8j h ALA 89 CO 0.06 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.68 1n8j n LYS 90 N -3.11 1.79 -2.64 0.00 2.85 -1.04 -4.83 118.16 111.19 1n8j n LYS 90 Ca -0.02 -1.21 -0.43 0.00 -1.05 0.00 0.00 58.31 55.60 1n8j n LYS 90 Cb 0.12 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.69 4.52 -1.77 0.58 1.01 -0.55 -4.87 121.20 118.44 1n8j s ILE 91 Ca 0.30 1.77 0.16 0.00 0.00 0.00 0.00 60.65 62.88 1n8j s ILE 91 Cb 0.16 -4.40 0.25 0.00 0.01 0.00 0.00 42.46 38.48 1n8j s ILE 91 CO 0.23 -0.44 1.15 0.29 0.00 0.00 0.00 174.94 176.17 1n8j n LYS 92 N 6.80 1.85 -2.95 2.79 5.02 -1.26 -4.69 118.16 125.72 1n8j n LYS 92 Ca 0.12 -1.78 -0.18 0.00 -2.02 0.00 0.00 58.31 54.44 1n8j n LYS 92 Cb 0.47 -1.34 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 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 -1.22 2.60 0.18 2.13 -0.85 -1.26 -4.70 117.35 114.23 1n8j s TYR 93 Ca 0.25 -0.38 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 1n8j s TYR 93 Cb 0.15 -2.43 -0.08 0.00 0.38 0.00 0.00 41.96 39.98 1n8j s TYR 93 CO 0.21 -0.61 1.27 0.00 -1.52 0.00 0.00 175.55 174.90 1n8j s ALA 94 N -2.47 3.49 -0.40 9.51 0.00 -1.23 -4.70 121.76 125.97 1n8j s ALA 94 Ca 0.57 1.04 -0.05 0.00 0.00 0.00 0.00 51.96 53.52 1n8j s ALA 94 Cb -0.09 -3.46 0.09 0.00 0.00 0.00 0.00 23.12 19.66 1n8j s ALA 94 CO 0.35 -0.48 0.20 -1.64 0.00 0.00 0.00 175.76 174.18 1n8j s MET 95 N -0.01 2.30 0.08 0.00 1.00 -0.12 -2.09 119.30 120.46 1n8j s MET 95 Ca 0.56 -1.60 -0.27 0.00 0.00 0.00 0.00 55.69 54.38 1n8j s MET 95 Cb -0.35 -3.60 -0.06 0.00 0.00 0.00 0.00 34.83 30.82 1n8j s MET 95 CO 0.37 -0.96 0.85 0.42 0.00 0.00 0.00 175.02 175.70 1n8j s ILE 96 N 1.27 4.62 -0.12 2.53 1.01 0.55 -1.22 121.20 129.83 1n8j s ILE 96 Ca 0.04 1.83 -0.11 0.00 0.00 0.00 0.00 60.65 62.41 1n8j s ILE 96 Cb -0.23 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1n8j s ILE 96 CO -0.01 0.35 0.22 -0.83 0.00 0.00 0.00 174.94 174.67 1n8j s GLY 97 N -0.08 2.21 -0.43 6.18 0.00 -0.39 -3.26 107.32 111.57 1n8j s GLY 97 Ca 0.42 -0.53 0.10 0.00 0.00 0.00 0.00 44.72 44.72 1n8j s GLY 97 CO 0.26 -0.01 0.81 1.34 0.00 0.00 0.00 173.10 175.50 1n8j n ASP 98 N 2.57 1.97 0.15 1.64 2.03 -0.33 -4.23 116.55 120.36 1n8j n ASP 98 Ca -0.16 -3.20 0.15 0.00 0.52 0.00 0.00 54.79 52.10 1n8j n ASP 98 Cb 0.53 -0.59 0.70 0.00 -0.72 0.00 0.00 41.12 41.04 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 2.98 0.00 0.00 -0.67 0.13 -1.66 -0.40 132.00 132.38 1n8j h PRO 99 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1n8j h PRO 99 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1n8j h PRO 99 CO 0.60 0.00 -0.19 0.25 -0.23 0.00 0.00 178.00 178.43 1n8j n THR 100 N -4.32 0.02 -0.94 1.56 -2.24 -1.26 -4.93 114.28 102.18 1n8j n THR 100 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1n8j n THR 100 Cb 0.34 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.49 0.34 0.11 3.38 0.00 -0.16 -4.92 105.19 105.43 1n8j n GLY 101 Ca 0.06 0.00 -0.13 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 -0.17 -0.34 4.61 0.00 -1.92 0.28 119.26 121.73 1n8j h ALA 102 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1n8j h ALA 102 Cb 0.35 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1n8j h ALA 102 CO 0.00 -0.56 0.15 1.25 0.00 0.00 0.00 179.25 180.10 1n8j h LEU 103 N -0.26 0.21 -0.88 0.00 6.46 -1.91 0.22 115.31 119.16 1n8j h LEU 103 Ca -0.02 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1n8j h LEU 103 Cb 0.20 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 1n8j h LEU 103 CO 0.03 0.16 0.57 0.74 -0.62 0.00 0.00 178.44 179.32 1n8j h THR 104 N 0.32 1.15 0.00 1.05 2.02 -1.89 -1.68 112.91 113.88 1n8j h THR 104 Ca 0.14 -0.38 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1n8j h THR 104 Cb 0.07 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 1n8j h THR 104 CO -0.11 0.20 -0.50 0.03 0.37 0.00 0.00 175.52 175.50 1n8j h ARG 105 N 1.10 0.00 -0.72 6.66 3.08 -0.13 -0.55 114.38 123.83 1n8j h ARG 105 Ca 0.35 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.42 1n8j h ARG 105 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1n8j h ARG 105 CO -0.12 0.50 0.46 -0.91 -1.07 0.00 0.00 179.97 178.84 1n8j h ASN 106 N 0.00 0.78 -0.21 7.04 2.35 0.35 -0.28 115.58 125.62 1n8j h ASN 106 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1n8j h ASN 106 Cb 1.10 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1n8j h ASN 106 CO 0.07 0.55 0.00 0.49 -1.65 0.00 0.00 177.43 176.89 1n8j n PHE 107 N -4.62 0.69 -4.20 1.19 3.72 -1.02 -4.90 117.46 108.32 1n8j n PHE 107 Ca 0.07 -0.24 -0.31 0.00 -0.05 0.00 0.00 57.45 56.92 1n8j n PHE 107 Cb 0.05 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.30 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 0.22 0.20 -0.61 4.37 2.03 -0.12 -4.85 116.55 117.80 1n8j n ASP 108 Ca 0.10 -1.21 0.06 0.00 0.52 0.00 0.00 54.79 54.25 1n8j n ASP 108 Cb 0.54 -1.98 0.11 0.00 -0.72 0.00 0.00 41.12 39.07 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 -2.86 1.44 -4.73 1.67 4.05 -0.23 -5.02 115.26 109.58 1n8j n ASN 109 Ca -0.31 -2.93 -0.36 0.00 0.45 0.00 0.00 54.58 51.43 1n8j n ASN 109 Cb 0.69 -0.39 -0.07 0.00 1.23 0.00 0.00 39.78 41.23 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 -1.88 4.26 -0.69 1.20 1.75 -1.25 -1.43 119.30 121.25 1n8j s MET 110 Ca 0.28 0.10 -0.23 0.00 -1.25 0.00 0.00 55.69 54.60 1n8j s MET 110 Cb 0.28 -3.43 0.07 0.00 2.84 0.00 0.00 34.83 34.59 1n8j s MET 110 CO -0.05 0.23 1.01 1.03 -0.65 0.00 0.00 175.02 176.60 1n8j s ARG 111 N 0.48 3.15 0.43 4.11 0.52 -0.27 -4.90 118.95 122.47 1n8j s ARG 111 Ca 0.17 -0.84 0.11 0.00 -0.52 0.00 0.00 55.73 54.64 1n8j s ARG 111 Cb -0.13 -4.28 0.97 0.00 0.52 0.00 0.00 34.95 32.03 1n8j s ARG 111 CO 0.04 -1.85 2.04 0.93 0.02 0.00 0.00 175.30 176.48 1n8j h GLU 112 N 9.57 0.42 0.00 3.54 4.39 -1.95 -0.56 114.58 130.00 1n8j h GLU 112 Ca -0.25 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1n8j h GLU 112 Cb 1.06 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 1n8j h GLU 112 CO 1.19 0.28 0.00 -0.40 -1.16 0.00 0.00 179.01 178.92 1n8j n ASP 113 N -4.48 0.00 0.00 1.42 5.68 -1.26 -3.50 116.55 114.41 1n8j n ASP 113 Ca 0.05 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1n8j n ASP 113 Cb 0.17 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.81 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 -1.34 2.38 -1.35 0.11 1.02 -0.67 -5.00 120.64 115.77 1n8j n GLU 114 Ca 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 1n8j n GLU 114 Cb 0.19 -0.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 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 1.73 1.10 3.39 0.62 0.00 -0.30 -5.01 105.19 106.72 1n8j n GLY 115 Ca 0.00 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.38 2.34 0.41 0.99 1.43 -1.23 -4.77 118.68 115.47 1n8j s LEU 116 Ca 0.00 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.11 1n8j s LEU 116 Cb 0.00 -1.21 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 1n8j s LEU 116 CO 0.00 0.17 0.96 0.00 0.23 0.00 0.00 176.35 177.71 1n8j s ALA 117 N -1.15 3.06 0.83 4.21 0.00 -1.26 -1.11 121.76 126.34 1n8j s ALA 117 Ca 0.15 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1n8j s ALA 117 Cb -0.10 -3.17 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1n8j s ALA 117 CO 0.07 0.09 1.14 -0.51 0.00 0.00 0.00 175.76 176.55 1n8j s ASP 118 N -2.02 4.26 -0.96 0.00 1.11 -0.52 -2.81 116.67 115.73 1n8j s ASP 118 Ca 0.60 0.98 -0.24 0.00 0.18 0.00 0.00 52.55 54.07 1n8j s ASP 118 Cb -0.12 -1.59 0.05 0.00 1.07 0.00 0.00 42.92 42.33 1n8j s ASP 118 CO 0.16 -2.08 1.42 -0.60 1.18 0.00 0.00 175.17 175.25 1n8j s ARG 119 N -5.37 3.50 0.05 8.23 3.52 -1.26 -4.04 118.95 123.59 1n8j s ARG 119 Ca 0.62 -0.93 0.03 0.00 -0.13 0.00 0.00 55.73 55.31 1n8j s ARG 119 Cb -0.13 -5.12 -0.03 0.00 -1.56 0.00 0.00 34.95 28.12 1n8j s ARG 119 CO 0.52 -2.20 -0.08 0.00 -0.81 0.00 0.00 175.30 172.72 1n8j s ALA 120 N 5.16 0.68 -0.03 6.12 0.00 -1.16 -1.14 121.76 131.38 1n8j s ALA 120 Ca 0.44 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1n8j s ALA 120 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1n8j s ALA 120 CO -0.05 -0.02 -0.11 0.99 0.00 0.00 0.00 175.76 176.57 1n8j s THR 121 N -1.56 0.98 -0.07 0.00 2.01 0.46 -0.41 115.64 117.05 1n8j s THR 121 Ca -0.07 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.48 1n8j s THR 121 Cb -0.09 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1n8j s THR 121 CO 0.00 0.30 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.74 1n8j s PHE 122 N 0.15 1.53 -0.27 4.92 0.40 -0.37 -1.59 117.98 122.75 1n8j s PHE 122 Ca -0.03 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.62 1n8j s PHE 122 Cb -0.09 -1.12 -0.04 0.00 0.51 0.00 0.00 43.02 42.28 1n8j s PHE 122 CO 0.01 -0.30 0.15 0.08 0.70 0.00 0.00 175.22 175.86 1n8j s VAL 123 N 0.69 4.98 -0.07 -0.44 1.01 -0.52 -0.42 120.40 125.63 1n8j s VAL 123 Ca -0.14 0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1n8j s VAL 123 Cb -0.16 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1n8j s VAL 123 CO 0.03 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.53 1n8j s VAL 124 N 1.68 2.49 0.94 2.92 1.01 0.15 -0.71 120.40 128.88 1n8j s VAL 124 Ca 0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 1n8j s VAL 124 Cb -0.16 -1.95 0.22 0.00 0.00 0.00 0.00 36.38 34.49 1n8j s VAL 124 CO 0.08 0.57 1.28 -0.90 0.00 0.00 0.00 175.10 176.13 1n8j n ASP 125 N 2.94 0.15 0.28 3.32 5.68 -0.03 -0.52 116.55 128.36 1n8j n ASP 125 Ca -0.18 -1.49 0.13 0.00 -0.50 0.00 0.00 54.79 52.75 1n8j n ASP 125 Cb 0.52 -0.97 0.80 0.00 -1.14 0.00 0.00 41.12 40.33 1n8j n ASP 125 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 1n8j h PRO 126 N 0.00 0.00 -0.12 0.11 0.11 -1.86 -1.00 132.00 129.23 1n8j h PRO 126 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1n8j h PRO 126 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1n8j h PRO 126 CO 0.30 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.19 1n8j n GLN 127 N -3.82 1.43 -0.99 1.05 3.00 -1.26 -1.14 117.38 115.65 1n8j n GLN 127 Ca -0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 1n8j n GLN 127 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.09 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 0.95 0.46 3.78 1.08 0.00 -0.38 -4.91 105.19 106.16 1n8j n GLY 128 Ca 0.13 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 5.09 -0.24 -0.61 -1.09 -1.26 -0.51 121.20 120.58 1n8j s ILE 129 Ca 0.00 0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 59.03 1n8j s ILE 129 Cb 0.00 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 1n8j s ILE 129 CO 0.00 0.45 1.21 -0.63 -1.23 0.00 0.00 174.94 174.74 1n8j s ILE 130 N -0.23 4.34 -0.12 2.92 1.01 -0.65 -0.85 121.20 127.62 1n8j s ILE 130 Ca 0.25 1.58 0.15 0.00 0.00 0.00 0.00 60.65 62.62 1n8j s ILE 130 Cb -0.16 -4.17 -0.22 0.00 0.01 0.00 0.00 42.46 37.92 1n8j s ILE 130 CO 0.12 -0.31 0.37 0.00 0.00 0.00 0.00 174.94 175.12 1n8j n GLN 131 N 6.83 0.72 -3.74 2.79 1.13 0.11 0.13 117.38 125.35 1n8j n GLN 131 Ca 0.14 -0.12 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1n8j n GLN 131 Cb 0.46 -1.33 -0.10 0.00 0.11 0.00 0.00 30.24 29.38 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 -2.94 -0.97 -0.01 -1.58 0.00 -1.22 -4.92 121.76 110.12 1n8j s ALA 132 Ca -0.04 0.97 0.01 0.00 0.00 0.00 0.00 51.96 52.90 1n8j s ALA 132 Cb 0.10 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.73 1n8j s ALA 132 CO 0.62 -0.21 -0.05 0.42 0.00 0.00 0.00 175.76 176.55 1n8j s ILE 133 N -0.14 0.36 -0.03 0.00 1.01 -1.26 -1.43 121.20 119.71 1n8j s ILE 133 Ca -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1n8j s ILE 133 Cb -0.03 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.14 1n8j s ILE 133 CO 0.02 0.11 -0.02 -0.70 0.00 0.00 0.00 174.94 174.35 1n8j s GLU 134 N -0.06 0.46 -0.02 2.79 2.12 -0.62 -4.99 118.70 118.38 1n8j s GLU 134 Ca 0.01 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.33 1n8j s GLU 134 Cb -0.02 -0.56 0.03 0.00 0.26 0.00 0.00 34.13 33.83 1n8j s GLU 134 CO -0.00 -0.09 0.04 0.08 -0.54 0.00 0.00 175.26 174.75 1n8j s VAL 135 N 0.84 -0.06 0.17 3.70 1.01 -1.26 -0.40 120.40 124.40 1n8j s VAL 135 Ca -0.09 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1n8j s VAL 135 Cb -0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 36.38 36.11 1n8j s VAL 135 CO -0.01 0.09 -0.12 0.42 0.00 0.00 0.00 175.10 175.49 1n8j s THR 136 N 1.15 1.39 0.86 3.92 -4.23 -0.29 -5.01 115.64 113.43 1n8j s THR 136 Ca -0.08 -2.12 -0.10 0.00 -1.18 0.00 0.00 61.69 58.20 1n8j s THR 136 Cb -0.13 -1.94 0.11 0.00 1.34 0.00 0.00 72.50 71.89 1n8j s THR 136 CO -0.03 -0.68 1.11 0.00 -0.54 0.00 0.00 174.62 174.48 1n8j s ALA 137 N -3.19 1.72 0.27 3.99 0.00 -1.26 -3.99 121.76 119.30 1n8j s ALA 137 Ca 0.19 0.38 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 1n8j s ALA 137 Cb 0.01 -3.35 0.49 0.00 0.00 0.00 0.00 23.12 20.27 1n8j s ALA 137 CO 0.03 -2.36 1.59 1.49 0.00 0.00 0.00 175.76 176.50 1n8j h GLU 138 N -1.57 0.02 -0.29 0.00 4.57 -2.01 -2.07 114.58 113.23 1n8j h GLU 138 Ca -0.44 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1n8j h GLU 138 Cb 1.26 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1n8j h GLU 138 CO 0.47 0.01 0.00 0.41 -1.18 0.00 0.00 179.01 178.72 1n8j n GLY 139 N -1.53 0.40 3.38 1.92 0.00 -1.26 -4.85 105.19 103.25 1n8j n GLY 139 Ca 0.16 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.62 3.67 0.25 -0.61 1.01 -0.78 -5.08 121.20 118.03 1n8j s ILE 140 Ca 0.22 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 1n8j s ILE 140 Cb 0.12 -2.67 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 1n8j s ILE 140 CO 0.16 0.42 0.81 -0.83 0.00 0.00 0.00 174.94 175.50 1n8j s GLY 141 N 1.29 2.74 0.71 6.18 0.00 -1.26 -4.71 107.32 112.27 1n8j s GLY 141 Ca 0.04 0.33 -0.10 0.00 0.00 0.00 0.00 44.72 44.99 1n8j s GLY 141 CO -0.00 0.75 1.07 0.50 0.00 0.00 0.00 173.10 175.42 1n8j s ARG 142 N -1.83 2.53 -0.21 2.90 0.52 -1.26 -5.07 118.95 116.53 1n8j s ARG 142 Ca 0.44 0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1n8j s ARG 142 Cb -0.19 -2.07 0.04 0.00 0.52 0.00 0.00 34.95 33.25 1n8j s ARG 142 CO 0.23 -1.15 -0.16 0.34 0.02 0.00 0.00 175.30 174.58 1n8j s ASP 143 N -4.43 3.61 0.44 0.23 -1.08 -1.26 -4.87 116.67 109.31 1n8j s ASP 143 Ca 0.59 -0.93 0.12 0.00 -0.52 0.00 0.00 52.55 51.81 1n8j s ASP 143 Cb -0.11 -1.48 0.98 0.00 -1.46 0.00 0.00 42.92 40.85 1n8j s ASP 143 CO 0.49 -0.08 2.01 0.00 0.52 0.00 0.00 175.17 178.11 1n8j h ALA 144 N 7.89 1.71 -0.70 3.66 0.00 -1.92 -2.40 119.26 127.50 1n8j h ALA 144 Ca -0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1n8j h ALA 144 Cb 1.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1n8j h ALA 144 CO 0.56 0.22 0.41 0.66 0.00 0.00 0.00 179.25 181.09 1n8j h SER 145 N 0.13 0.85 -0.49 0.00 4.64 -1.95 -1.14 113.55 115.59 1n8j h SER 145 Ca 0.03 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 1n8j h SER 145 Cb 0.22 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1n8j h SER 145 CO 0.01 0.67 -0.01 -0.78 -0.87 0.00 0.00 176.83 175.84 1n8j h ASP 146 N 0.97 0.86 -0.52 4.97 3.58 -1.87 -2.41 116.42 122.00 1n8j h ASP 146 Ca 0.25 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.41 1n8j h ASP 146 Cb -0.01 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1n8j h ASP 146 CO -0.04 0.97 0.32 0.25 -2.88 0.00 0.00 179.24 177.85 1n8j h LEU 147 N 0.74 0.52 -0.72 2.28 5.85 -1.24 -2.40 115.31 120.33 1n8j h LEU 147 Ca 0.14 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1n8j h LEU 147 Cb 0.53 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1n8j h LEU 147 CO 0.03 0.37 0.45 -0.07 -0.34 0.00 0.00 178.44 178.88 1n8j h LEU 148 N 0.64 0.73 -0.23 2.25 3.38 -1.04 -1.36 115.31 119.67 1n8j h LEU 148 Ca 0.21 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1n8j h LEU 148 Cb 0.00 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1n8j h LEU 148 CO -0.08 0.50 0.09 -0.09 0.09 0.00 0.00 178.44 178.95 1n8j h ARG 149 N 0.87 0.20 -0.83 1.13 2.43 -1.03 -1.01 114.38 116.15 1n8j h ARG 149 Ca 0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1n8j h ARG 149 Cb 0.04 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1n8j h ARG 149 CO -0.12 0.13 0.50 0.87 -1.51 0.00 0.00 179.97 179.84 1n8j h LYS 150 N 0.21 1.12 -0.37 0.20 1.79 -1.03 -1.10 116.57 117.40 1n8j h LYS 150 Ca 0.10 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1n8j h LYS 150 Cb 0.06 -0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1n8j h LYS 150 CO -0.09 0.79 0.23 0.82 -1.08 0.00 0.00 179.45 180.12 1n8j h ILE 151 N 1.13 1.11 -0.48 1.86 2.04 -0.76 0.48 117.51 122.90 1n8j h ILE 151 Ca 0.30 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 1n8j h ILE 151 Cb -0.04 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1n8j h ILE 151 CO -0.06 0.11 0.04 0.11 0.00 0.00 0.00 178.15 178.35 1n8j h LYS 152 N 0.49 0.77 -0.24 2.37 1.57 -0.81 0.14 116.57 120.86 1n8j h LYS 152 Ca 0.13 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1n8j h LYS 152 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1n8j h LYS 152 CO -0.03 0.75 -0.04 0.00 -0.57 0.00 0.00 179.45 179.57 1n8j h ALA 153 N 1.31 0.33 -0.85 3.86 0.00 -0.79 -0.85 119.26 122.27 1n8j h ALA 153 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n8j h ALA 153 Cb 0.39 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1n8j h ALA 153 CO 0.01 0.10 0.52 0.00 0.00 0.00 0.00 179.25 179.89 1n8j h ALA 154 N 0.77 1.33 -0.09 0.00 0.00 -0.53 -1.14 119.26 119.61 1n8j h ALA 154 Ca 0.06 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 154 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n8j h ALA 154 CO 0.02 0.59 -0.47 1.96 0.00 0.00 0.00 179.25 181.34 1n8j h GLN 155 N 1.16 0.21 0.13 0.00 4.20 -0.57 -2.21 115.11 118.03 1n8j h GLN 155 Ca 0.31 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1n8j h GLN 155 Cb -0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1n8j h GLN 155 CO -0.06 0.65 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.76 1n8j h TYR 156 N 0.17 -0.17 0.00 2.96 3.20 -0.22 -2.15 116.97 120.77 1n8j h TYR 156 Ca 0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1n8j h TYR 156 Cb 0.91 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1n8j h TYR 156 CO 0.01 0.25 -0.09 -0.39 -1.64 0.00 0.00 178.16 176.31 1n8j h VAL 157 N -0.65 0.61 0.02 1.81 -1.51 -1.27 0.01 116.25 115.27 1n8j h VAL 157 Ca -0.02 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1n8j h VAL 157 Cb 0.49 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1n8j h VAL 157 CO 0.03 0.09 -0.01 0.00 -1.23 0.00 0.00 177.57 176.45 1n8j h ALA 158 N 1.91 -0.03 0.00 5.19 0.00 -1.28 -3.17 119.26 121.88 1n8j h ALA 158 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1n8j h ALA 158 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1n8j h ALA 158 CO 0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 179.25 178.85 1n8j n ALA 159 N -2.28 2.48 -3.41 0.00 0.00 -0.82 -4.40 120.51 112.08 1n8j n ALA 159 Ca -0.08 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 1n8j n ALA 159 Cb 0.18 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.52 0.99 -1.58 0.00 -0.00 -0.06 -5.09 115.22 107.95 1n8j n HIS 160 Ca 0.07 -3.75 -0.37 0.00 -0.00 0.00 0.00 57.72 53.66 1n8j n HIS 160 Cb 0.34 -0.28 0.05 0.00 -0.00 0.00 0.00 29.99 30.11 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 1.74 0.79 0.00 -0.41 -0.02 -1.24 -1.90 135.00 133.96 1n8j n PRO 161 Ca 0.25 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1n8j n PRO 161 Cb 0.46 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.35 2.75 3.55 -1.23 0.00 -1.26 -4.99 105.19 105.36 1n8j n GLY 162 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 2.80 0.10 1.61 2.02 -0.80 -3.48 118.70 120.78 1n8j s GLU 163 Ca 0.00 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1n8j s GLU 163 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 34.13 31.62 1n8j s GLU 163 CO 0.00 0.61 -0.18 0.14 0.02 0.00 0.00 175.26 175.85 1n8j s VAL 164 N -0.67 1.51 -0.26 2.63 -7.23 -0.14 -4.69 120.40 111.57 1n8j s VAL 164 Ca 0.10 -1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1n8j s VAL 164 Cb -0.11 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 1n8j s VAL 164 CO 0.02 -0.15 0.49 0.00 -0.31 0.00 0.00 175.10 175.14 1n8j s PRO 166 N 2.19 -0.10 0.40 0.00 0.04 -1.26 -4.90 135.00 131.36 1n8j s PRO 166 Ca 0.20 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.94 1n8j s PRO 166 Cb -0.16 -1.73 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1n8j s PRO 166 CO 0.09 -2.97 1.28 0.00 0.04 0.00 0.00 177.00 175.44 1n8j n ALA 167 N -4.24 1.33 -1.00 8.56 0.00 -1.26 -2.01 120.51 121.89 1n8j n ALA 167 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1n8j n ALA 167 Cb 0.59 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N 0.20 -1.13 -1.74 0.00 5.02 -1.26 -4.96 118.16 114.28 1n8j n LYS 168 Ca 0.06 0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1n8j n LYS 168 Cb 0.39 -4.13 -0.01 0.00 -0.02 0.00 0.00 35.03 31.25 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 -2.43 2.72 -4.30 2.13 -0.00 -0.85 -5.01 117.44 109.70 1n8j n TRP 169 Ca 0.00 0.39 -0.16 0.00 -0.00 0.00 0.00 57.50 57.74 1n8j n TRP 169 Cb 0.28 -2.53 -0.10 0.00 -0.00 0.00 0.00 31.31 28.96 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -1.30 1.31 -0.25 5.87 1.02 -1.26 -4.93 119.74 120.21 1n8j s LYS 170 Ca 0.59 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.60 1n8j s LYS 170 Cb -0.52 -0.32 -0.07 0.00 -0.52 0.00 0.00 37.83 36.40 1n8j s LYS 170 CO 0.56 -0.22 2.22 0.39 -0.92 0.00 0.00 175.35 177.39 1n8j n GLU 171 N -0.39 1.74 0.00 1.68 -0.58 -1.26 -1.97 120.64 119.86 1n8j n GLU 171 Ca -0.03 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1n8j n GLU 171 Cb 0.65 -3.05 0.00 0.00 -0.57 0.00 0.00 31.44 28.47 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n8j n GLY 172 N 5.97 2.05 3.76 0.62 0.00 -1.26 -5.10 105.19 111.23 1n8j n GLY 172 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.19 1.32 0.24 1.61 2.02 -0.83 -4.98 118.70 117.89 1n8j s GLU 173 Ca 0.00 0.54 -0.30 0.00 0.02 0.00 0.00 54.97 55.22 1n8j s GLU 173 Cb 0.00 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.29 1n8j s GLU 173 CO 0.00 -2.13 1.45 0.00 0.02 0.00 0.00 175.26 174.60 1n8j s ALA 174 N -3.12 3.64 0.48 5.21 0.00 -1.26 -4.90 121.76 121.80 1n8j s ALA 174 Ca 0.63 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.97 1n8j s ALA 174 Cb -0.16 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.45 1n8j s ALA 174 CO 0.55 -0.74 0.46 0.25 0.00 0.00 0.00 175.76 176.28 1n8j n THR 175 N 2.52 0.00 -5.24 0.00 -2.24 -1.26 -4.66 114.28 103.40 1n8j n THR 175 Ca 0.07 -1.80 -0.31 0.00 -2.27 0.00 0.00 64.05 59.74 1n8j n THR 175 Cb 0.40 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 68.22 1n8j n THR 175 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8j s LEU 176 N 0.00 2.15 -0.71 3.22 1.43 -0.44 -4.98 118.68 119.35 1n8j s LEU 176 Ca 0.35 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1n8j s LEU 176 Cb -0.03 -1.38 0.18 0.00 0.03 0.00 0.00 46.19 44.99 1n8j s LEU 176 CO 0.22 0.30 0.55 0.00 0.23 0.00 0.00 176.35 177.64 1n8j s ALA 177 N -0.47 3.79 -0.32 4.21 0.00 -1.26 -0.96 121.76 126.75 1n8j s ALA 177 Ca 0.06 -3.46 -0.39 0.00 0.00 0.00 0.00 51.96 48.16 1n8j s ALA 177 Cb -0.11 -2.71 -0.15 0.00 0.00 0.00 0.00 23.12 20.15 1n8j s ALA 177 CO 0.01 -2.13 1.92 -2.30 0.00 0.00 0.00 175.76 173.26 1n8j n PRO 178 N 3.09 1.04 -4.07 0.00 -0.02 -1.23 -4.95 135.00 128.86 1n8j n PRO 178 Ca 0.12 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 1n8j n PRO 178 Cb 0.38 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 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 4.93 0.21 0.32 2.55 1.04 -1.26 -5.03 113.70 116.46 1n8j s SER 179 Ca 1.04 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1n8j s SER 179 Cb -1.04 0.35 0.55 0.00 0.10 0.00 0.00 66.02 65.97 1n8j s SER 179 CO 0.61 -0.79 1.85 0.25 0.98 0.00 0.00 173.24 176.14 1n8j h LEU 180 N 2.75 0.54 -0.51 2.42 6.46 -1.99 -3.06 115.31 121.92 1n8j h LEU 180 Ca -0.34 -0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 57.20 1n8j h LEU 180 Cb 1.21 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1n8j h LEU 180 CO 0.55 0.61 -0.13 -0.78 -0.62 0.00 0.00 178.44 178.07 1n8j h ASP 181 N 0.54 0.99 0.69 1.25 1.82 -1.98 -2.92 116.42 116.82 1n8j h ASP 181 Ca 0.11 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.39 1n8j h ASP 181 Cb 0.36 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.10 1n8j h ASP 181 CO 0.01 1.13 0.00 -0.07 -1.61 0.00 0.00 179.24 178.70 1n8j h LEU 182 N 0.84 0.00 -8.79 2.28 3.38 -1.91 -3.43 115.31 107.68 1n8j h LEU 182 Ca 0.13 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.42 1n8j h LEU 182 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1n8j h LEU 182 CO 0.05 0.00 1.26 0.52 0.09 0.00 0.00 178.44 180.36 1n8j n VAL 183 N -3.01 0.28 -0.22 1.22 0.31 -1.10 -0.81 118.33 114.99 1n8j n VAL 183 Ca -0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1n8j n VAL 183 Cb 0.23 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 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 5.69 1.87 0.08 2.92 0.00 -1.26 -4.90 105.19 109.59 1n8j n GLY 184 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 2.78 0.07 0.00 1.61 1.57 -1.25 -3.55 116.57 117.80 1n8j h LYS 185 Ca 0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1n8j h LYS 185 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1n8j h LYS 185 CO 0.00 0.84 0.00 -0.89 -0.57 0.00 0.00 179.45 178.83