#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 2.28 -4.69 2.46 4.77 -1.26 -4.94 117.00 115.62 1n8j n LEU 2 Ca 0.00 -0.76 -0.44 0.00 -0.03 0.00 0.00 56.01 54.78 1n8j n LEU 2 Cb 0.00 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 1n8j n LEU 2 CO 0.00 0.38 1.20 0.00 -1.33 0.00 0.00 177.39 177.64 1n8j n ILE 3 N 0.72 0.39 -1.67 -0.08 0.13 -1.26 -1.72 119.36 115.87 1n8j n ILE 3 Ca 0.15 -0.10 -0.11 0.00 -1.10 0.00 0.00 62.75 61.60 1n8j n ILE 3 Cb 0.49 -1.68 -0.03 0.00 -0.84 0.00 0.00 39.64 37.57 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 3.03 -4.02 -4.52 9.51 4.05 -0.13 -4.99 115.26 118.19 1n8j n ASN 4 Ca 0.14 0.16 -0.27 0.00 0.45 0.00 0.00 54.58 55.06 1n8j n ASN 4 Cb 0.32 -2.79 -0.10 0.00 1.23 0.00 0.00 39.78 38.44 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 -2.46 2.89 0.11 -0.44 -4.23 -0.70 -4.84 115.64 105.97 1n8j s THR 5 Ca 0.00 -1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 58.41 1n8j s THR 5 Cb 0.00 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.35 1n8j s THR 5 CO 0.00 -0.13 0.91 -0.75 -0.54 0.00 0.00 174.62 174.11 1n8j s LYS 6 N -2.82 4.67 0.75 3.99 2.20 -1.26 -1.80 119.74 125.46 1n8j s LYS 6 Ca 0.24 1.36 -0.14 0.00 -0.36 0.00 0.00 55.97 57.07 1n8j s LYS 6 Cb -0.08 -3.36 0.05 0.00 -1.51 0.00 0.00 37.83 32.93 1n8j s LYS 6 CO 0.13 0.28 1.16 0.96 -0.36 0.00 0.00 175.35 177.53 1n8j s ILE 7 N -0.21 2.60 0.25 5.43 -4.36 -0.32 -4.98 121.20 119.61 1n8j s ILE 7 Ca 0.44 0.26 -0.05 0.00 -0.26 0.00 0.00 60.65 61.04 1n8j s ILE 7 Cb -0.23 -2.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.70 1n8j s ILE 7 CO 0.28 -0.19 0.52 -0.54 0.24 0.00 0.00 174.94 175.25 1n8j s LYS 8 N -4.18 3.65 0.69 0.37 1.02 -1.26 -5.05 119.74 114.98 1n8j s LYS 8 Ca 0.70 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.54 1n8j s LYS 8 Cb -0.25 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1n8j s LYS 8 CO 0.48 0.28 1.26 -0.35 -0.92 0.00 0.00 175.35 176.10 1n8j n PRO 9 N -0.62 0.84 -3.62 -1.68 -0.04 -1.26 -4.84 135.00 123.78 1n8j n PRO 9 Ca -0.02 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1n8j n PRO 9 Cb 0.53 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 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 -1.60 -0.34 -0.15 0.54 -0.12 -1.26 -4.97 117.98 110.09 1n8j s PHE 10 Ca 0.80 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 57.66 1n8j s PHE 10 Cb -0.36 0.56 0.08 0.00 -0.63 0.00 0.00 43.02 42.67 1n8j s PHE 10 CO 0.43 -0.97 0.25 0.21 -0.05 0.00 0.00 175.22 175.09 1n8j s LYS 11 N -3.83 0.16 0.03 1.99 2.20 -1.26 -3.23 119.74 115.80 1n8j s LYS 11 Ca 0.06 0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 56.19 1n8j s LYS 11 Cb -0.02 -0.42 -0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1n8j s LYS 11 CO -0.05 -0.42 0.06 -0.80 -0.36 0.00 0.00 175.35 173.78 1n8j s ASN 12 N 2.39 0.22 0.37 1.43 -0.87 -0.21 -4.99 114.94 113.28 1n8j s ASN 12 Ca 0.04 -0.56 -0.12 0.00 -1.57 0.00 0.00 52.86 50.64 1n8j s ASN 12 Cb -0.13 0.20 -0.07 0.00 -0.02 0.00 0.00 41.25 41.22 1n8j s ASN 12 CO -0.10 -0.47 0.75 -1.10 -2.57 0.00 0.00 177.10 173.61 1n8j s GLN 13 N -2.46 3.87 0.07 -0.60 -1.52 -1.26 -0.25 119.66 117.51 1n8j s GLN 13 Ca -0.06 0.55 -0.11 0.00 -1.95 0.00 0.00 55.36 53.78 1n8j s GLN 13 Cb -0.02 -2.41 0.01 0.00 -0.22 0.00 0.00 33.01 30.37 1n8j s GLN 13 CO -0.04 0.05 0.25 0.00 -0.25 0.00 0.00 175.29 175.30 1n8j s ALA 14 N -2.20 -0.48 -0.14 6.09 0.00 -0.04 -1.49 121.76 123.50 1n8j s ALA 14 Ca 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.16 1n8j s ALA 14 Cb -0.10 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1n8j s ALA 14 CO 0.25 -0.46 0.02 0.12 0.00 0.00 0.00 175.76 175.69 1n8j s PHE 15 N -3.15 3.17 -0.23 0.00 5.36 -0.33 -1.11 117.98 121.70 1n8j s PHE 15 Ca -0.01 0.02 -0.04 0.00 -0.96 0.00 0.00 56.93 55.94 1n8j s PHE 15 Cb 0.01 -1.95 0.12 0.00 -0.34 0.00 0.00 43.02 40.87 1n8j s PHE 15 CO -0.07 0.22 0.39 0.21 -1.46 0.00 0.00 175.22 174.50 1n8j s LYS 16 N -0.07 0.34 -1.27 10.12 2.20 0.11 -0.78 119.74 130.39 1n8j s LYS 16 Ca 0.04 0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 56.23 1n8j s LYS 16 Cb -0.13 -0.25 -0.00 0.00 -1.51 0.00 0.00 37.83 35.94 1n8j s LYS 16 CO 0.02 -0.53 0.62 0.09 -0.36 0.00 0.00 175.35 175.18 1n8j n ASN 17 N 5.37 -2.63 0.00 1.43 3.02 -1.26 -2.08 115.26 119.11 1n8j n ASN 17 Ca -0.05 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1n8j n ASN 17 Cb 0.50 -3.29 0.00 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 -1.81 1.48 3.20 7.41 0.00 -1.26 -5.03 105.19 109.18 1n8j n GLY 18 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.17 0.90 -0.08 1.61 -1.05 -0.88 -5.13 118.70 113.90 1n8j s GLU 19 Ca 0.00 -1.34 -0.13 0.00 -0.15 0.00 0.00 54.97 53.35 1n8j s GLU 19 Cb 0.00 -0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.25 1n8j s GLU 19 CO 0.00 0.03 0.32 -0.06 0.95 0.00 0.00 175.26 176.50 1n8j s PHE 20 N -3.30 3.61 0.29 4.83 0.08 -1.26 -0.71 117.98 121.51 1n8j s PHE 20 Ca 0.12 0.77 0.03 0.00 0.12 0.00 0.00 56.93 57.98 1n8j s PHE 20 Cb 0.03 -2.25 -0.04 0.00 -0.57 0.00 0.00 43.02 40.19 1n8j s PHE 20 CO -0.02 0.51 0.19 0.96 -0.10 0.00 0.00 175.22 176.76 1n8j s ILE 21 N -0.49 0.15 -0.09 0.64 -4.36 -0.27 -4.97 121.20 111.81 1n8j s ILE 21 Ca 0.20 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1n8j s ILE 21 Cb -0.15 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.04 1n8j s ILE 21 CO 0.08 0.00 -0.15 -0.70 0.24 0.00 0.00 174.94 174.42 1n8j s GLU 22 N -3.79 2.94 -0.03 0.37 2.12 -1.26 -0.86 118.70 118.18 1n8j s GLU 22 Ca 0.38 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 55.06 1n8j s GLU 22 Cb 0.05 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.94 1n8j s GLU 22 CO 0.19 0.40 -0.23 0.08 -0.54 0.00 0.00 175.26 175.16 1n8j s VAL 23 N -0.15 2.27 0.20 3.70 1.01 0.65 -4.97 120.40 123.11 1n8j s VAL 23 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1n8j s VAL 23 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1n8j s VAL 23 CO 0.03 0.58 0.13 0.42 0.00 0.00 0.00 175.10 176.27 1n8j s THR 24 N -0.57 0.00 0.48 3.92 -4.23 -1.26 -1.05 115.64 112.94 1n8j s THR 24 Ca 0.08 -1.99 0.38 0.00 -1.18 0.00 0.00 61.69 58.99 1n8j s THR 24 Cb -0.11 -2.48 0.38 0.00 1.34 0.00 0.00 72.50 71.63 1n8j s THR 24 CO -0.00 -0.02 2.16 1.05 -0.54 0.00 0.00 174.62 177.28 1n8j h GLU 25 N 2.62 0.00 -0.13 3.99 9.09 -1.87 0.78 114.58 129.05 1n8j h GLU 25 Ca -0.36 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 58.99 1n8j h GLU 25 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1n8j h GLU 25 CO 0.53 0.00 -0.21 0.87 0.05 0.00 0.00 179.01 180.25 1n8j h LYS 26 N 0.00 0.23 0.00 1.06 6.56 -1.95 -2.03 116.57 120.44 1n8j h LYS 26 Ca 0.00 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 1n8j h LYS 26 Cb 0.08 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 1n8j h LYS 26 CO 0.00 0.44 -0.02 -0.44 -2.06 0.00 0.00 179.45 177.37 1n8j h ASP 27 N 0.21 0.00 0.57 0.86 3.32 -1.24 -2.94 116.42 117.20 1n8j h ASP 27 Ca 0.04 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.89 1n8j h ASP 27 Cb 0.50 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1n8j h ASP 27 CO 0.03 0.02 -1.58 0.35 -1.72 0.00 0.00 179.24 176.35 1n8j n THR 28 N -3.15 1.21 -1.63 0.35 -2.24 -0.79 -4.84 114.28 103.19 1n8j n THR 28 Ca -0.00 -0.71 -0.48 0.00 -2.27 0.00 0.00 64.05 60.59 1n8j n THR 28 Cb 0.27 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.87 1.66 -0.96 -0.78 1.02 -1.05 -0.62 120.64 117.04 1n8j n GLU 29 Ca -0.13 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1n8j n GLU 29 Cb 0.89 -2.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 2.64 1.02 3.40 0.62 0.00 -0.73 -5.01 105.19 107.13 1n8j n GLY 30 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.02 1.47 0.08 1.61 0.52 0.21 -4.80 118.95 118.03 1n8j s ARG 31 Ca 0.00 -1.71 -0.19 0.00 -0.52 0.00 0.00 55.73 53.31 1n8j s ARG 31 Cb 0.00 -1.14 -0.07 0.00 0.52 0.00 0.00 34.95 34.26 1n8j s ARG 31 CO 0.00 0.10 0.57 -1.58 0.02 0.00 0.00 175.30 174.40 1n8j s TRP 32 N -3.00 3.78 0.04 -0.53 0.52 -1.19 -2.31 118.94 116.26 1n8j s TRP 32 Ca 0.27 1.24 0.02 0.00 0.02 0.00 0.00 56.10 57.65 1n8j s TRP 32 Cb 0.02 -2.48 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1n8j s TRP 32 CO 0.10 0.57 -0.07 -1.12 0.02 0.00 0.00 176.95 176.45 1n8j s SER 33 N -1.19 0.76 -0.17 2.95 0.01 0.60 -0.94 113.70 115.71 1n8j s SER 33 Ca 0.30 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.00 1n8j s SER 33 Cb -0.19 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.12 1n8j s SER 33 CO 0.19 -0.24 -0.16 -0.69 0.41 0.00 0.00 173.24 172.75 1n8j s VAL 34 N -1.55 1.78 -0.42 3.43 1.01 0.21 -0.13 120.40 124.73 1n8j s VAL 34 Ca -0.10 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1n8j s VAL 34 Cb -0.09 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1n8j s VAL 34 CO -0.00 0.43 0.32 -0.36 0.00 0.00 0.00 175.10 175.49 1n8j s PHE 35 N 1.39 3.23 -0.45 5.22 0.40 0.11 -0.65 117.98 127.24 1n8j s PHE 35 Ca 0.04 -0.59 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1n8j s PHE 35 Cb -0.14 -2.66 0.10 0.00 0.51 0.00 0.00 43.02 40.83 1n8j s PHE 35 CO -0.11 -0.62 0.32 0.12 0.70 0.00 0.00 175.22 175.63 1n8j s PHE 36 N 1.72 3.36 0.08 0.36 5.36 0.53 -1.05 117.98 128.34 1n8j s PHE 36 Ca 0.06 -1.60 -0.14 0.00 -0.96 0.00 0.00 56.93 54.29 1n8j s PHE 36 Cb -0.19 -3.23 -0.06 0.00 -0.34 0.00 0.00 43.02 39.20 1n8j s PHE 36 CO 0.10 -0.91 0.47 -0.06 -1.46 0.00 0.00 175.22 173.36 1n8j s PHE 37 N 1.43 3.65 0.05 10.12 0.40 0.13 0.39 117.98 134.14 1n8j s PHE 37 Ca 0.04 0.99 -0.08 0.00 -0.60 0.00 0.00 56.93 57.28 1n8j s PHE 37 Cb -0.25 -2.30 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 1n8j s PHE 37 CO 0.01 0.52 0.16 1.52 0.70 0.00 0.00 175.22 178.14 1n8j s TYR 38 N -1.32 0.13 0.07 0.36 -0.85 -0.63 -2.84 117.35 112.27 1n8j s TYR 38 Ca 0.32 -0.43 -0.34 0.00 -0.52 0.00 0.00 57.07 56.10 1n8j s TYR 38 Cb -0.16 -0.08 -0.19 0.00 0.38 0.00 0.00 41.96 41.92 1n8j s TYR 38 CO 0.17 -0.43 1.61 -1.35 -1.52 0.00 0.00 175.55 174.03 1n8j h PRO 39 N 3.36 -0.98 -2.06 -3.49 0.11 -1.80 -3.39 132.00 123.75 1n8j h PRO 39 Ca -0.33 0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1n8j h PRO 39 Cb 1.19 0.22 -0.19 0.00 0.11 0.00 0.00 31.00 32.33 1n8j h PRO 39 CO 0.51 -0.65 0.16 0.00 -0.21 0.00 0.00 178.00 177.80 1n8j s ALA 40 N -6.03 -1.71 0.81 -0.75 0.00 -1.26 -4.31 121.76 108.50 1n8j s ALA 40 Ca -0.18 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 1n8j s ALA 40 Cb 0.03 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 23.09 1n8j s ALA 40 CO 0.62 -0.36 1.13 -0.51 0.00 0.00 0.00 175.76 176.64 1n8j s ASP 41 N -1.00 3.91 -1.91 0.00 1.11 -1.26 -3.46 116.67 114.06 1n8j s ASP 41 Ca -0.10 2.07 0.00 0.00 0.18 0.00 0.00 52.55 54.70 1n8j s ASP 41 Cb -0.01 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1n8j s ASP 41 CO 0.09 -2.44 0.00 0.49 1.18 0.00 0.00 175.17 174.48 1n8j n PHE 42 N -3.55 -0.51 -1.66 4.23 3.01 -1.26 -4.99 117.46 112.73 1n8j n PHE 42 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1n8j n PHE 42 Cb 0.52 -3.64 0.00 0.00 -0.01 0.00 0.00 39.48 36.35 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 -3.28 0.00 -0.07 4.37 -2.24 -1.22 -5.10 114.28 106.74 1n8j n THR 43 Ca -0.22 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.44 1n8j n THR 43 Cb 0.67 -0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.04 4.78 3.72 -1.26 -4.56 117.46 120.10 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 -0.49 -0.08 0.00 -0.94 0.00 0.00 39.48 37.97 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 -0.75 1.39 -0.62 -4.37 2.07 -1.97 -3.36 116.25 108.65 1n8j h VAL 45 Ca -0.16 -1.55 0.13 0.00 0.82 0.00 0.00 66.70 65.93 1n8j h VAL 45 Cb 0.97 2.14 -0.11 0.00 -1.52 0.00 0.00 31.29 32.77 1n8j h VAL 45 CO -0.10 0.45 -0.06 0.28 0.02 0.00 0.00 177.57 178.16 1n8j h SER 46 N -0.11 -0.39 -0.96 0.57 0.02 -1.89 -1.63 113.55 109.16 1n8j h SER 46 Ca -0.00 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1n8j h SER 46 Cb 0.84 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1n8j h SER 46 CO 0.05 -0.15 0.63 1.55 -1.14 0.00 0.00 176.83 177.77 1n8j h PRO 47 N 0.07 1.23 -0.17 3.45 0.13 -1.80 0.67 132.00 135.58 1n8j h PRO 47 Ca 0.31 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.31 1n8j h PRO 47 Cb 0.50 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1n8j h PRO 47 CO -0.57 0.82 -0.17 1.79 -0.23 0.00 0.00 178.00 179.63 1n8j h THR 48 N 1.27 1.21 -0.14 1.56 1.35 -1.47 0.37 112.91 117.06 1n8j h THR 48 Ca 0.36 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 65.20 1n8j h THR 48 Cb -0.09 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1n8j h THR 48 CO -0.09 0.30 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.94 1n8j h GLU 49 N 0.27 0.38 -0.14 4.72 5.08 -0.65 -1.15 114.58 123.09 1n8j h GLU 49 Ca 0.05 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1n8j h GLU 49 Cb 0.47 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1n8j h GLU 49 CO 0.03 0.81 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.60 1n8j h LEU 50 N -0.01 0.22 -0.39 1.33 3.38 -0.53 -1.52 115.31 117.79 1n8j h LEU 50 Ca 0.01 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1n8j h LEU 50 Cb 0.77 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1n8j h LEU 50 CO 0.05 0.42 -0.27 1.23 0.09 0.00 0.00 178.44 179.95 1n8j h GLY 51 N 0.81 0.95 0.98 0.83 0.00 -0.18 -1.74 103.07 104.72 1n8j h GLY 51 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 47.33 46.47 1n8j h GLY 51 CO 0.03 0.82 0.26 -1.80 0.00 0.00 0.00 176.54 175.85 1n8j h ASP 52 N 0.69 0.44 -0.77 0.19 -0.00 -0.61 -0.85 116.42 115.51 1n8j h ASP 52 Ca 0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 57.06 1n8j h ASP 52 Cb 0.85 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 40.04 1n8j h ASP 52 CO 0.07 0.32 0.34 0.58 -0.00 0.00 0.00 179.24 180.55 1n8j h VAL 53 N 0.53 1.25 -0.96 2.25 2.07 -1.20 -1.78 116.25 118.41 1n8j h VAL 53 Ca 0.15 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.96 1n8j h VAL 53 Cb -0.04 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1n8j h VAL 53 CO -0.04 0.31 0.62 0.00 0.02 0.00 0.00 177.57 178.48 1n8j h ALA 54 N 1.17 1.42 0.00 1.67 0.00 -0.65 -0.53 119.26 122.34 1n8j h ALA 54 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n8j h ALA 54 Cb 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1n8j h ALA 54 CO -0.03 0.46 0.00 -0.44 0.00 0.00 0.00 179.25 179.25 1n8j h ASP 55 N 1.16 0.00 -0.08 0.00 3.32 -0.26 -2.03 116.42 118.52 1n8j h ASP 55 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1n8j h ASP 55 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1n8j h ASP 55 CO -0.14 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.79 1n8j n HIS 56 N -2.31 0.11 -0.07 4.55 8.25 -0.29 -4.77 115.22 120.69 1n8j n HIS 56 Ca -0.01 -0.34 -0.03 0.00 -0.26 0.00 0.00 57.72 57.09 1n8j n HIS 56 Cb 0.09 -0.03 0.22 0.00 1.12 0.00 0.00 29.99 31.39 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 0.72 0.73 -0.38 4.41 3.20 -0.56 -0.34 116.97 124.75 1n8j h TYR 57 Ca 0.00 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.69 1n8j h TYR 57 Cb 0.44 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1n8j h TYR 57 CO 0.05 0.68 -0.15 0.93 -1.64 0.00 0.00 178.16 178.03 1n8j h GLU 58 N 0.66 0.69 -0.28 1.82 5.08 -1.86 -0.02 114.58 120.68 1n8j h GLU 58 Ca 0.14 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1n8j h GLU 58 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1n8j h GLU 58 CO 0.01 0.81 -0.47 1.49 -1.00 0.00 0.00 179.01 179.85 1n8j h GLU 59 N 0.63 0.74 -0.45 2.33 4.81 -1.80 -2.10 114.58 118.73 1n8j h GLU 59 Ca 0.10 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1n8j h GLU 59 Cb 0.61 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1n8j h GLU 59 CO 0.04 1.05 0.07 -0.07 -0.73 0.00 0.00 179.01 179.37 1n8j h LEU 60 N 0.59 0.72 -0.70 1.64 3.38 -0.65 -1.92 115.31 118.36 1n8j h LEU 60 Ca 0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1n8j h LEU 60 Cb 1.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1n8j h LEU 60 CO 0.10 0.80 0.27 1.56 0.09 0.00 0.00 178.44 181.26 1n8j h GLN 61 N 0.61 1.06 0.00 1.13 1.08 -0.98 0.26 115.11 118.27 1n8j h GLN 61 Ca 0.14 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1n8j h GLN 61 Cb 0.38 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1n8j h GLN 61 CO 0.01 0.88 -0.11 0.87 -0.95 0.00 0.00 178.83 179.53 1n8j h LYS 62 N 1.01 0.00 -0.17 1.46 1.57 -1.14 0.20 116.57 119.50 1n8j h LYS 62 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1n8j h LYS 62 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1n8j h LYS 62 CO -0.02 0.11 0.00 1.28 -0.57 0.00 0.00 179.45 180.25 1n8j n LEU 63 N -4.15 1.25 -0.86 2.94 4.77 -0.54 -4.88 117.00 115.53 1n8j n LEU 63 Ca -0.03 -0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 55.30 1n8j n LEU 63 Cb 0.19 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 1n8j n LEU 63 CO 0.33 0.28 -0.10 0.61 -1.33 0.00 0.00 177.39 177.19 1n8j n GLY 64 N 0.98 0.34 3.49 -0.72 0.00 0.71 -4.95 105.19 105.04 1n8j n GLY 64 Ca 0.13 -0.57 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.38 4.39 0.26 1.61 1.01 0.82 -3.16 120.40 122.95 1n8j s VAL 65 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1n8j s VAL 65 Cb 0.00 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1n8j s VAL 65 CO 0.00 0.37 0.53 -1.81 0.00 0.00 0.00 175.10 174.19 1n8j s ASP 66 N 1.27 6.47 -0.04 3.32 1.01 -0.11 -3.59 116.67 125.00 1n8j s ASP 66 Ca 0.05 0.72 0.05 0.00 0.71 0.00 0.00 52.55 54.07 1n8j s ASP 66 Cb -0.15 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.63 1n8j s ASP 66 CO 0.03 -0.15 -0.18 -0.69 0.21 0.00 0.00 175.17 174.39 1n8j s VAL 67 N -1.99 1.51 -0.19 -1.27 1.01 -1.26 -0.62 120.40 117.58 1n8j s VAL 67 Ca 0.44 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1n8j s VAL 67 Cb -0.11 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.04 1n8j s VAL 67 CO 0.28 0.43 -0.02 -0.31 0.00 0.00 0.00 175.10 175.48 1n8j s TYR 68 N -0.09 1.65 0.23 5.22 1.51 0.18 -3.33 117.35 122.71 1n8j s TYR 68 Ca -0.01 -1.17 -0.15 0.00 -1.01 0.00 0.00 57.07 54.73 1n8j s TYR 68 Cb -0.11 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.38 1n8j s TYR 68 CO 0.02 -0.65 0.65 -1.54 -1.11 0.00 0.00 175.55 172.92 1n8j s SER 69 N 1.65 6.85 -0.03 2.29 1.04 -0.64 -0.35 113.70 124.51 1n8j s SER 69 Ca -0.02 1.20 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1n8j s SER 69 Cb -0.17 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.64 1n8j s SER 69 CO -0.07 -0.03 0.00 -0.69 0.98 0.00 0.00 173.24 173.43 1n8j s VAL 70 N -1.67 0.14 0.14 5.02 1.01 0.16 -0.19 120.40 125.01 1n8j s VAL 70 Ca 0.45 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.48 1n8j s VAL 70 Cb -0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1n8j s VAL 70 CO 0.20 0.13 0.14 -0.94 0.00 0.00 0.00 175.10 174.63 1n8j s SER 71 N 0.94 0.21 0.00 3.32 1.04 -1.19 -1.61 113.70 116.41 1n8j s SER 71 Ca -0.09 -1.09 0.10 0.00 0.48 0.00 0.00 55.95 55.34 1n8j s SER 71 Cb -0.13 0.35 0.58 0.00 0.10 0.00 0.00 66.02 66.93 1n8j s SER 71 CO -0.02 -0.79 1.38 0.35 0.98 0.00 0.00 173.24 175.14 1n8j n THR 72 N -0.14 0.00 -1.83 2.02 -2.24 -1.26 -1.15 114.28 109.68 1n8j n THR 72 Ca -0.06 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1n8j n THR 72 Cb 0.63 -0.15 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.31 4.59 0.57 3.42 1.01 -1.26 -3.48 116.67 120.21 1n8j s ASP 73 Ca 0.15 0.91 -0.06 0.00 0.71 0.00 0.00 52.55 54.26 1n8j s ASP 73 Cb 0.07 -1.49 0.00 0.00 1.01 0.00 0.00 42.92 42.51 1n8j s ASP 73 CO 0.11 -1.87 0.88 0.42 0.21 0.00 0.00 175.17 174.93 1n8j s THR 74 N -3.47 3.84 0.45 -1.27 -4.23 -1.26 -2.84 115.64 106.86 1n8j s THR 74 Ca 0.61 0.02 0.23 0.00 -1.18 0.00 0.00 61.69 61.38 1n8j s THR 74 Cb -0.12 -3.51 0.26 0.00 1.34 0.00 0.00 72.50 70.48 1n8j s THR 74 CO 0.50 -0.52 2.07 1.12 -0.54 0.00 0.00 174.62 177.25 1n8j h HIS 75 N -0.11 0.00 -0.65 3.99 2.07 -1.89 -1.59 115.15 116.97 1n8j h HIS 75 Ca -0.46 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.01 1n8j h HIS 75 Cb 1.25 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.20 1n8j h HIS 75 CO 0.49 0.12 0.18 0.74 -3.07 0.00 0.00 177.93 176.39 1n8j h PHE 76 N 0.00 1.05 -0.40 6.12 -1.00 -1.97 -0.81 116.94 119.93 1n8j h PHE 76 Ca -0.00 -0.10 -0.06 0.00 2.81 0.00 0.00 57.97 60.61 1n8j h PHE 76 Cb 0.28 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1n8j h PHE 76 CO 0.00 0.85 0.01 1.15 -1.61 0.00 0.00 178.31 178.71 1n8j h THR 77 N 0.97 1.26 -0.42 -1.55 2.02 -1.68 -1.91 112.91 111.60 1n8j h THR 77 Ca 0.21 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.43 1n8j h THR 77 Cb 0.31 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1n8j h THR 77 CO -0.00 0.34 0.22 0.45 0.37 0.00 0.00 175.52 176.89 1n8j h HIS 78 N 0.53 0.41 -0.26 3.16 3.86 -1.06 0.68 115.15 122.47 1n8j h HIS 78 Ca 0.11 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.40 1n8j h HIS 78 Cb 0.46 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 1n8j h HIS 78 CO 0.04 0.22 -0.14 -0.22 0.86 0.00 0.00 177.93 178.69 1n8j h LYS 79 N 0.45 -0.11 -0.62 2.45 1.63 -0.97 0.85 116.57 120.26 1n8j h LYS 79 Ca 0.17 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1n8j h LYS 79 Cb 0.06 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1n8j h LYS 79 CO -0.11 -0.07 0.22 0.00 -3.45 0.00 0.00 179.45 176.04 1n8j h ALA 80 N 1.09 1.22 -0.67 5.00 0.00 -0.70 -2.49 119.26 122.71 1n8j h ALA 80 Ca 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1n8j h ALA 80 Cb 0.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1n8j h ALA 80 CO -0.33 0.56 0.11 2.35 0.00 0.00 0.00 179.25 181.93 1n8j h TRP 81 N 0.90 1.18 0.00 0.00 7.01 -0.12 -2.39 115.95 122.53 1n8j h TRP 81 Ca 0.21 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1n8j h TRP 81 Cb 0.22 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1n8j h TRP 81 CO 0.02 0.98 -0.10 1.25 -2.79 0.00 0.00 178.44 177.80 1n8j h HIS 82 N 1.04 0.00 0.00 2.65 2.76 -0.42 -1.83 115.15 119.34 1n8j h HIS 82 Ca 0.20 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 58.18 1n8j h HIS 82 Cb 0.44 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 1n8j h HIS 82 CO 0.03 0.10 -1.22 0.77 -1.30 0.00 0.00 177.93 176.31 1n8j h SER 83 N 0.00 0.00 0.18 3.26 0.02 -1.12 -3.28 113.55 112.60 1n8j h SER 83 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n8j h SER 83 Cb 0.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1n8j h SER 83 CO 0.01 0.75 -1.82 -1.54 -1.14 0.00 0.00 176.83 173.09 1n8j n SER 84 N -3.09 0.15 -4.48 3.07 3.41 -0.94 -4.91 113.62 106.83 1n8j n SER 84 Ca -0.07 0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.26 1n8j n SER 84 Cb 0.89 1.72 -0.13 0.00 -0.26 0.00 0.00 64.21 66.44 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 -4.67 4.48 0.36 4.04 0.15 -0.71 -5.00 113.70 112.35 1n8j s SER 85 Ca -0.07 -0.16 0.18 0.00 0.70 0.00 0.00 55.95 56.60 1n8j s SER 85 Cb 0.13 -1.52 0.63 0.00 -1.71 0.00 0.00 66.02 63.55 1n8j s SER 85 CO 0.89 0.23 1.72 -0.33 1.20 0.00 0.00 173.24 176.94 1n8j h GLU 86 N 6.25 0.00 0.00 5.44 4.39 -1.89 -1.07 114.58 127.70 1n8j h GLU 86 Ca -0.35 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.14 1n8j h GLU 86 Cb 1.19 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1n8j h GLU 86 CO 0.57 0.40 -1.04 1.79 -1.16 0.00 0.00 179.01 179.58 1n8j h THR 87 N 0.00 1.51 0.00 1.13 1.35 -1.95 -3.20 112.91 111.75 1n8j h THR 87 Ca -0.00 -3.19 -0.16 0.00 -0.55 0.00 0.00 66.41 62.50 1n8j h THR 87 Cb 0.93 2.74 -0.02 0.00 -1.73 0.00 0.00 68.15 70.06 1n8j h THR 87 CO 0.05 0.86 -0.76 0.40 -0.25 0.00 0.00 175.52 175.82 1n8j h ILE 88 N 0.00 1.39 0.00 6.82 1.08 -1.84 -3.17 117.51 121.79 1n8j h ILE 88 Ca -0.04 -2.73 -0.00 0.00 -0.39 0.00 0.00 64.86 61.69 1n8j h ILE 88 Cb 1.75 2.54 -0.00 0.00 -3.07 0.00 0.00 36.82 38.04 1n8j h ILE 88 CO 0.12 0.74 -0.01 0.00 -0.69 0.00 0.00 178.15 178.31 1n8j h ALA 89 N 1.24 1.92 0.00 1.87 0.00 -1.19 -1.16 119.26 121.95 1n8j h ALA 89 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 89 Cb 1.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1n8j h ALA 89 CO 0.10 0.01 0.00 0.36 0.00 0.00 0.00 179.25 179.72 1n8j n LYS 90 N -4.44 0.44 -2.25 0.00 2.85 -1.20 -4.81 118.16 108.75 1n8j n LYS 90 Ca -0.03 0.02 -0.42 0.00 -1.05 0.00 0.00 58.31 56.83 1n8j n LYS 90 Cb 0.10 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 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 -2.52 3.74 -0.03 0.58 1.01 -0.44 -4.90 121.20 118.64 1n8j s ILE 91 Ca 0.28 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.08 1n8j s ILE 91 Cb 0.19 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1n8j s ILE 91 CO 0.42 0.01 0.83 0.29 0.00 0.00 0.00 174.94 176.50 1n8j n LYS 92 N 5.09 1.60 -2.78 2.79 5.02 -1.26 -4.71 118.16 123.91 1n8j n LYS 92 Ca 0.12 -1.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.05 1n8j n LYS 92 Cb 0.44 -1.01 0.05 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.65 2.36 0.02 2.13 -0.85 -1.26 -4.61 117.35 114.48 1n8j s TYR 93 Ca 0.00 -0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 55.98 1n8j s TYR 93 Cb 0.00 -2.62 -0.05 0.00 0.38 0.00 0.00 41.96 39.67 1n8j s TYR 93 CO 0.00 -0.98 1.24 0.00 -1.52 0.00 0.00 175.55 174.29 1n8j s ALA 94 N -2.72 3.46 -0.48 9.51 0.00 -1.21 -4.65 121.76 125.66 1n8j s ALA 94 Ca 0.59 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1n8j s ALA 94 Cb -0.08 -3.49 0.11 0.00 0.00 0.00 0.00 23.12 19.65 1n8j s ALA 94 CO 0.38 -0.61 0.38 -1.64 0.00 0.00 0.00 175.76 174.28 1n8j s MET 95 N 1.58 2.71 0.13 0.00 1.00 0.04 -1.62 119.30 123.15 1n8j s MET 95 Ca 0.59 -1.65 -0.29 0.00 0.00 0.00 0.00 55.69 54.34 1n8j s MET 95 Cb -0.29 -4.04 -0.07 0.00 0.00 0.00 0.00 34.83 30.44 1n8j s MET 95 CO 0.27 -1.17 0.91 0.42 0.00 0.00 0.00 175.02 175.44 1n8j s ILE 96 N 1.48 4.44 -0.15 2.53 1.01 0.73 -1.19 121.20 130.05 1n8j s ILE 96 Ca 0.04 1.97 -0.09 0.00 0.00 0.00 0.00 60.65 62.57 1n8j s ILE 96 Cb -0.27 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1n8j s ILE 96 CO 0.02 0.38 0.16 -0.83 0.00 0.00 0.00 174.94 174.67 1n8j s GLY 97 N -0.34 2.13 -0.43 6.18 0.00 -0.55 -3.15 107.32 111.16 1n8j s GLY 97 Ca 0.43 -0.62 0.10 0.00 0.00 0.00 0.00 44.72 44.63 1n8j s GLY 97 CO 0.29 -0.09 0.84 1.34 0.00 0.00 0.00 173.10 175.48 1n8j n ASP 98 N 2.69 2.15 0.16 1.64 2.03 -0.30 -4.28 116.55 120.64 1n8j n ASP 98 Ca -0.18 -3.21 0.10 0.00 0.52 0.00 0.00 54.79 52.03 1n8j n ASP 98 Cb 0.53 -0.58 0.62 0.00 -0.72 0.00 0.00 41.12 40.97 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 2.97 0.08 0.00 -0.67 0.13 -1.71 -0.33 132.00 132.46 1n8j h PRO 99 Ca 0.10 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1n8j h PRO 99 Cb 0.86 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1n8j h PRO 99 CO 0.61 0.05 -0.01 1.79 -0.23 0.00 0.00 178.00 180.21 1n8j h THR 100 N 0.08 0.00 0.00 1.56 1.35 -1.92 -3.47 112.91 110.51 1n8j h THR 100 Ca 0.09 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1n8j h THR 100 Cb 0.25 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1n8j h THR 100 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1n8j n GLY 101 N 1.14 0.79 0.32 5.82 0.00 -0.14 -4.93 105.19 108.19 1n8j n GLY 101 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.92 -0.30 4.61 0.00 -1.91 0.34 119.26 122.92 1n8j h ALA 102 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1n8j h ALA 102 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1n8j h ALA 102 CO 0.00 0.67 0.00 1.25 0.00 0.00 0.00 179.25 181.17 1n8j h LEU 103 N 1.05 0.51 -0.52 0.00 6.46 -1.92 0.52 115.31 121.43 1n8j h LEU 103 Ca 0.21 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1n8j h LEU 103 Cb 0.43 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1n8j h LEU 103 CO 0.01 0.70 0.29 0.74 -0.62 0.00 0.00 178.44 179.56 1n8j h THR 104 N 0.32 1.17 -0.06 1.05 2.02 -1.87 -2.36 112.91 113.19 1n8j h THR 104 Ca 0.08 -0.44 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 1n8j h THR 104 Cb 0.43 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1n8j h THR 104 CO 0.02 0.19 -0.42 0.03 0.37 0.00 0.00 175.52 175.70 1n8j h ARG 105 N 0.69 0.12 -0.73 6.66 3.08 -0.79 -0.63 114.38 122.78 1n8j h ARG 105 Ca 0.18 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1n8j h ARG 105 Cb 0.04 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1n8j h ARG 105 CO -0.03 0.52 0.48 -0.91 -1.07 0.00 0.00 179.97 178.97 1n8j h ASN 106 N 0.10 0.74 -0.44 7.04 2.35 -0.38 0.18 115.58 125.17 1n8j h ASN 106 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n8j h ASN 106 Cb 0.79 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1n8j h ASN 106 CO 0.06 0.50 0.00 0.49 -1.65 0.00 0.00 177.43 176.83 1n8j n PHE 107 N -4.46 1.05 -4.03 1.19 3.72 -0.80 -4.87 117.46 109.26 1n8j n PHE 107 Ca 0.10 -0.41 -0.33 0.00 -0.05 0.00 0.00 57.45 56.76 1n8j n PHE 107 Cb 0.15 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.50 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 0.69 -4.20 -0.20 4.37 2.03 0.05 -4.87 116.55 114.41 1n8j n ASP 108 Ca 0.18 -0.86 0.09 0.00 0.52 0.00 0.00 54.79 54.72 1n8j n ASP 108 Cb 0.66 -3.39 0.16 0.00 -0.72 0.00 0.00 41.12 37.83 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 -2.74 2.19 -4.75 1.67 4.05 -0.31 -5.01 115.26 110.36 1n8j n ASN 109 Ca 0.06 -3.28 -0.37 0.00 0.45 0.00 0.00 54.58 51.44 1n8j n ASN 109 Cb 0.51 -0.45 -0.07 0.00 1.23 0.00 0.00 39.78 41.00 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -2.95 4.18 -0.77 1.20 1.75 -1.26 -0.67 119.30 120.78 1n8j s MET 110 Ca 0.33 0.23 -0.20 0.00 -1.25 0.00 0.00 55.69 54.81 1n8j s MET 110 Cb 0.30 -3.38 0.11 0.00 2.84 0.00 0.00 34.83 34.70 1n8j s MET 110 CO 0.01 0.33 0.99 1.03 -0.65 0.00 0.00 175.02 176.72 1n8j s ARG 111 N 0.15 3.32 0.27 4.11 0.52 -0.02 -4.90 118.95 122.41 1n8j s ARG 111 Ca 0.20 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1n8j s ARG 111 Cb -0.14 -4.53 0.58 0.00 0.52 0.00 0.00 34.95 31.38 1n8j s ARG 111 CO 0.07 -1.74 1.75 0.93 0.02 0.00 0.00 175.30 176.33 1n8j h GLU 112 N 9.15 0.57 0.00 3.54 4.39 -1.95 -0.79 114.58 129.48 1n8j h GLU 112 Ca -0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n8j h GLU 112 Cb 1.05 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1n8j h GLU 112 CO 1.13 0.37 0.00 -0.40 -1.16 0.00 0.00 179.01 178.95 1n8j n ASP 113 N -4.90 0.00 0.00 1.42 5.68 -1.26 -3.20 116.55 114.29 1n8j n ASP 113 Ca 0.18 -0.53 0.00 0.00 -0.50 0.00 0.00 54.79 53.94 1n8j n ASP 113 Cb 0.49 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 -1.02 1.50 -1.15 0.11 1.02 -0.41 -5.01 120.64 115.68 1n8j n GLU 114 Ca 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1n8j n GLU 114 Cb 0.07 -0.90 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 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 2.05 0.78 3.37 0.62 0.00 -0.55 -5.02 105.19 106.44 1n8j n GLY 115 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1n8j n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n8j s LEU 116 N -1.17 2.34 0.44 0.99 1.43 -1.24 -4.78 118.68 116.69 1n8j s LEU 116 Ca 0.00 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.12 1n8j s LEU 116 Cb 0.00 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 1n8j s LEU 116 CO 0.00 0.13 0.99 0.00 0.23 0.00 0.00 176.35 177.70 1n8j s ALA 117 N -1.25 3.00 0.73 4.21 0.00 -1.26 -0.84 121.76 126.36 1n8j s ALA 117 Ca 0.14 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1n8j s ALA 117 Cb -0.09 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1n8j s ALA 117 CO 0.06 -0.05 1.08 -0.51 0.00 0.00 0.00 175.76 176.35 1n8j s ASP 118 N -1.99 5.16 -1.14 0.00 1.11 0.15 -3.13 116.67 116.83 1n8j s ASP 118 Ca 0.62 1.31 -0.22 0.00 0.18 0.00 0.00 52.55 54.45 1n8j s ASP 118 Cb -0.14 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.72 1n8j s ASP 118 CO 0.18 -1.54 1.79 -0.60 1.18 0.00 0.00 175.17 176.18 1n8j s ARG 119 N -5.21 3.16 0.09 8.23 3.52 -1.26 -4.05 118.95 123.44 1n8j s ARG 119 Ca 0.59 -1.25 0.06 0.00 -0.13 0.00 0.00 55.73 55.00 1n8j s ARG 119 Cb -0.13 -5.32 -0.03 0.00 -1.56 0.00 0.00 34.95 27.91 1n8j s ARG 119 CO 0.53 -3.03 -0.16 0.00 -0.81 0.00 0.00 175.30 171.84 1n8j s ALA 120 N 7.68 1.46 -0.03 6.12 0.00 -1.13 -1.39 121.76 134.48 1n8j s ALA 120 Ca 0.60 -1.15 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1n8j s ALA 120 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1n8j s ALA 120 CO 0.05 0.21 -0.15 0.99 0.00 0.00 0.00 175.76 176.86 1n8j s THR 121 N -1.46 1.25 -0.06 0.00 2.01 0.12 0.21 115.64 117.71 1n8j s THR 121 Ca 0.03 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.42 1n8j s THR 121 Cb -0.09 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.37 1n8j s THR 121 CO 0.03 0.36 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.85 1n8j s PHE 122 N -0.06 1.39 -0.24 4.92 0.40 -0.22 -1.48 117.98 122.70 1n8j s PHE 122 Ca -0.01 -0.50 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 1n8j s PHE 122 Cb -0.09 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1n8j s PHE 122 CO 0.01 -0.26 0.11 0.08 0.70 0.00 0.00 175.22 175.86 1n8j s VAL 123 N 0.66 4.87 -0.14 -0.44 1.01 -0.57 -0.71 120.40 125.08 1n8j s VAL 123 Ca -0.14 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1n8j s VAL 123 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1n8j s VAL 123 CO 0.03 0.35 -0.22 -0.69 0.00 0.00 0.00 175.10 174.58 1n8j s VAL 124 N 1.21 2.12 0.85 2.92 1.01 0.81 -0.22 120.40 129.10 1n8j s VAL 124 Ca 0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1n8j s VAL 124 Cb -0.14 -1.84 0.11 0.00 0.00 0.00 0.00 36.38 34.50 1n8j s VAL 124 CO 0.05 0.55 1.20 1.51 0.00 0.00 0.00 175.10 178.41 1n8j s ASP 125 N 0.75 4.12 0.52 3.32 1.47 -0.17 -0.29 116.67 126.39 1n8j s ASP 125 Ca -0.08 0.70 0.29 0.00 1.18 0.00 0.00 52.55 54.64 1n8j s ASP 125 Cb -0.16 -1.11 1.42 0.00 -0.34 0.00 0.00 42.92 42.73 1n8j s ASP 125 CO -0.00 -2.14 1.89 -0.65 0.68 0.00 0.00 175.17 174.94 1n8j h PRO 126 N -1.22 0.06 -0.40 2.11 0.11 -1.77 0.39 132.00 131.28 1n8j h PRO 126 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1n8j h PRO 126 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.60 0.04 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 1n8j n GLN 127 N -4.31 1.89 -1.03 1.05 3.00 -1.26 -1.78 117.38 114.94 1n8j n GLN 127 Ca 0.18 -1.20 -0.01 0.00 -0.01 0.00 0.00 57.00 55.97 1n8j n GLN 127 Cb 0.91 -1.34 -0.00 0.00 0.00 0.00 0.00 30.24 29.81 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 0.90 0.47 3.76 1.08 0.00 0.14 -4.92 105.19 106.62 1n8j n GLY 128 Ca 0.11 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -1.86 4.90 -0.12 -0.61 -1.09 -1.25 -1.17 121.20 119.99 1n8j s ILE 129 Ca 0.00 1.30 -0.30 0.00 -2.23 0.00 0.00 60.65 59.43 1n8j s ILE 129 Cb 0.00 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.90 1n8j s ILE 129 CO 0.00 0.40 1.23 -0.63 -1.23 0.00 0.00 174.94 174.71 1n8j s ILE 130 N -0.10 4.27 -0.43 2.92 1.01 -0.74 -1.00 121.20 127.13 1n8j s ILE 130 Ca 0.32 1.56 0.12 0.00 0.00 0.00 0.00 60.65 62.66 1n8j s ILE 130 Cb -0.18 -4.01 -0.15 0.00 0.01 0.00 0.00 42.46 38.13 1n8j s ILE 130 CO 0.18 -0.08 0.45 0.00 0.00 0.00 0.00 174.94 175.50 1n8j n GLN 131 N 5.98 2.28 -3.62 2.79 1.13 0.69 -0.96 117.38 125.67 1n8j n GLN 131 Ca 0.13 -0.03 -0.15 0.00 -1.94 0.00 0.00 57.00 55.01 1n8j n GLN 131 Cb 0.45 -1.14 -0.07 0.00 0.11 0.00 0.00 30.24 29.60 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 -2.35 -1.70 -0.00 -1.58 0.00 -1.24 -4.97 121.76 109.92 1n8j s ALA 132 Ca 0.02 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.82 1n8j s ALA 132 Cb 0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1n8j s ALA 132 CO 0.51 -0.33 -0.06 0.42 0.00 0.00 0.00 175.76 176.30 1n8j s ILE 133 N 0.08 0.44 -0.02 0.00 1.01 -1.26 -1.52 121.20 119.94 1n8j s ILE 133 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1n8j s ILE 133 Cb -0.04 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.06 1n8j s ILE 133 CO 0.03 0.09 0.00 -0.70 0.00 0.00 0.00 174.94 174.36 1n8j s GLU 134 N -0.24 0.19 -0.03 2.79 2.12 -0.55 -4.99 118.70 118.00 1n8j s GLU 134 Ca 0.01 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.42 1n8j s GLU 134 Cb -0.03 -0.36 0.03 0.00 0.26 0.00 0.00 34.13 34.03 1n8j s GLU 134 CO -0.00 -0.11 0.00 0.08 -0.54 0.00 0.00 175.26 174.69 1n8j s VAL 135 N 0.83 0.17 0.18 3.70 1.01 -1.26 0.14 120.40 125.17 1n8j s VAL 135 Ca -0.08 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1n8j s VAL 135 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1n8j s VAL 135 CO -0.02 0.15 -0.15 0.42 0.00 0.00 0.00 175.10 175.50 1n8j s THR 136 N 1.08 1.63 1.00 3.92 -4.23 -0.48 -5.01 115.64 113.55 1n8j s THR 136 Ca -0.09 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.26 1n8j s THR 136 Cb -0.13 -1.89 0.17 0.00 1.34 0.00 0.00 72.50 71.98 1n8j s THR 136 CO -0.02 -0.51 0.97 0.00 -0.54 0.00 0.00 174.62 174.52 1n8j n ALA 137 N -0.05 -1.73 -0.26 3.99 0.00 -1.26 -4.10 120.51 117.10 1n8j n ALA 137 Ca -0.11 -0.76 0.07 0.00 0.00 0.00 0.00 53.44 52.65 1n8j n ALA 137 Cb 0.59 -2.07 0.20 0.00 0.00 0.00 0.00 19.45 18.18 1n8j n ALA 137 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n8j h GLU 138 N -2.07 0.28 -0.41 0.00 4.57 -2.01 -2.36 114.58 112.59 1n8j h GLU 138 Ca -0.48 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1n8j h GLU 138 Cb 1.29 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1n8j h GLU 138 CO 0.42 0.18 0.00 0.41 -1.18 0.00 0.00 179.01 178.84 1n8j n GLY 139 N -1.35 0.87 3.16 1.92 0.00 -1.26 -4.80 105.19 103.72 1n8j n GLY 139 Ca 0.16 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.52 2.90 0.55 -0.61 1.01 -0.89 -5.09 121.20 117.54 1n8j s ILE 140 Ca 0.25 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.28 1n8j s ILE 140 Cb 0.14 -2.68 -0.06 0.00 0.01 0.00 0.00 42.46 39.87 1n8j s ILE 140 CO 0.17 -0.12 1.11 -0.83 0.00 0.00 0.00 174.94 175.26 1n8j s GLY 141 N 1.25 2.54 0.74 6.18 0.00 -1.26 -4.62 107.32 112.14 1n8j s GLY 141 Ca -0.05 0.73 -0.05 0.00 0.00 0.00 0.00 44.72 45.36 1n8j s GLY 141 CO -0.02 1.08 1.03 0.50 0.00 0.00 0.00 173.10 175.69 1n8j s ARG 142 N -3.39 1.74 -0.20 2.90 0.52 -1.26 -5.10 118.95 114.16 1n8j s ARG 142 Ca 0.71 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 55.16 1n8j s ARG 142 Cb -0.22 -2.23 0.05 0.00 0.52 0.00 0.00 34.95 33.08 1n8j s ARG 142 CO 0.27 -1.47 -0.02 0.34 0.02 0.00 0.00 175.30 174.44 1n8j s ASP 143 N -4.67 3.16 0.47 0.23 -1.08 -1.26 -4.92 116.67 108.60 1n8j s ASP 143 Ca 0.65 -0.87 0.16 0.00 -0.52 0.00 0.00 52.55 51.97 1n8j s ASP 143 Cb -0.07 -0.89 1.14 0.00 -1.46 0.00 0.00 42.92 41.64 1n8j s ASP 143 CO 0.45 -0.24 2.04 0.00 0.52 0.00 0.00 175.17 177.94 1n8j h ALA 144 N 8.11 2.06 -0.12 3.66 0.00 -1.93 -1.69 119.26 129.35 1n8j h ALA 144 Ca -0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1n8j h ALA 144 Cb 1.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1n8j h ALA 144 CO 0.38 -0.15 -0.25 0.66 0.00 0.00 0.00 179.25 179.89 1n8j h SER 145 N 0.24 0.22 -0.38 0.00 4.64 -1.95 -1.05 113.55 115.27 1n8j h SER 145 Ca 0.18 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.33 1n8j h SER 145 Cb 0.40 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1n8j h SER 145 CO -0.03 0.48 -0.17 0.44 -0.87 0.00 0.00 176.83 176.67 1n8j h ASP 146 N 0.20 0.81 -0.43 4.97 3.32 -1.75 -2.42 116.42 121.12 1n8j h ASP 146 Ca 0.03 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 56.72 1n8j h ASP 146 Cb 0.56 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1n8j h ASP 146 CO 0.04 1.03 0.21 0.25 -1.72 0.00 0.00 179.24 179.06 1n8j h LEU 147 N 0.59 0.31 -0.71 1.55 5.85 -1.25 -2.19 115.31 119.46 1n8j h LEU 147 Ca 0.09 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1n8j h LEU 147 Cb 0.72 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1n8j h LEU 147 CO 0.05 0.22 0.46 -0.07 -0.34 0.00 0.00 178.44 178.77 1n8j h LEU 148 N 0.43 0.78 -0.74 2.25 3.38 -1.11 -0.84 115.31 119.46 1n8j h LEU 148 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1n8j h LEU 148 Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1n8j h LEU 148 CO -0.13 0.56 0.41 -0.09 0.09 0.00 0.00 178.44 179.27 1n8j h ARG 149 N 0.93 1.03 -0.49 1.13 2.43 -1.04 -0.91 114.38 117.46 1n8j h ARG 149 Ca 0.27 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1n8j h ARG 149 Cb -0.06 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 1n8j h ARG 149 CO -0.08 0.76 -0.10 0.87 -1.51 0.00 0.00 179.97 179.92 1n8j h LYS 150 N 1.02 0.89 -0.64 0.20 1.57 -0.93 -2.29 116.57 116.38 1n8j h LYS 150 Ca 0.26 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1n8j h LYS 150 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1n8j h LYS 150 CO -0.04 0.95 0.16 0.82 -0.57 0.00 0.00 179.45 180.76 1n8j h ILE 151 N 0.80 1.26 -0.48 1.86 2.04 -0.67 -0.97 117.51 121.35 1n8j h ILE 151 Ca 0.13 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 64.97 1n8j h ILE 151 Cb 0.62 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1n8j h ILE 151 CO 0.04 0.35 -0.07 0.11 0.00 0.00 0.00 178.15 178.58 1n8j h LYS 152 N 0.95 0.85 -0.24 2.37 1.57 -1.02 0.48 116.57 121.53 1n8j h LYS 152 Ca 0.20 -0.27 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1n8j h LYS 152 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1n8j h LYS 152 CO 0.00 0.90 -0.41 0.00 -0.57 0.00 0.00 179.45 179.37 1n8j h ALA 153 N 1.14 0.84 -0.48 3.86 0.00 -1.21 0.13 119.26 123.54 1n8j h ALA 153 Ca 0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1n8j h ALA 153 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1n8j h ALA 153 CO 0.03 0.65 -0.09 0.00 0.00 0.00 0.00 179.25 179.84 1n8j h ALA 154 N 1.08 0.66 -0.26 0.00 0.00 -0.76 0.01 119.26 119.99 1n8j h ALA 154 Ca 0.04 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1n8j h ALA 154 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1n8j h ALA 154 CO 0.08 0.55 -0.34 1.96 0.00 0.00 0.00 179.25 181.49 1n8j h GLN 155 N 0.76 0.57 -0.32 0.00 4.20 -0.76 -2.00 115.11 117.56 1n8j h GLN 155 Ca 0.12 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1n8j h GLN 155 Cb 0.64 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1n8j h GLN 155 CO 0.04 0.84 0.04 -0.92 -0.67 0.00 0.00 178.83 178.16 1n8j h TYR 156 N 0.48 0.57 -0.15 2.96 3.20 -0.38 -2.55 116.97 121.10 1n8j h TYR 156 Ca 0.05 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 1n8j h TYR 156 Cb 0.83 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1n8j h TYR 156 CO 0.03 0.62 -0.32 -0.39 -1.64 0.00 0.00 178.16 176.46 1n8j h VAL 157 N 0.36 1.28 -0.42 1.81 -1.51 -0.88 -1.50 116.25 115.39 1n8j h VAL 157 Ca 0.10 -1.33 -0.04 0.00 -1.23 0.00 0.00 66.70 64.20 1n8j h VAL 157 Cb 0.36 1.53 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1n8j h VAL 157 CO 0.01 0.40 0.09 0.00 -1.23 0.00 0.00 177.57 176.84 1n8j h ALA 158 N 1.41 1.38 0.00 5.19 0.00 -1.21 -2.54 119.26 123.49 1n8j h ALA 158 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 158 Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n8j h ALA 158 CO 0.05 0.45 -0.47 0.00 0.00 0.00 0.00 179.25 179.28 1n8j n ALA 159 N -2.47 3.46 -3.36 0.00 0.00 -0.98 -4.53 120.51 112.63 1n8j n ALA 159 Ca 0.03 -0.33 -0.26 0.00 0.00 0.00 0.00 53.44 52.88 1n8j n ALA 159 Cb 0.21 -1.14 -0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.51 1.11 -1.75 0.00 -0.00 -0.59 -5.09 115.22 107.38 1n8j n HIS 160 Ca 0.06 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.72 53.58 1n8j n HIS 160 Cb 0.34 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.99 29.97 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 1.51 2.60 0.00 -0.41 -0.02 -1.24 -1.62 135.00 135.82 1n8j n PRO 161 Ca 0.25 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 1n8j n PRO 161 Cb 0.47 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.20 0.98 3.55 -1.23 0.00 -1.26 -5.05 105.19 103.37 1n8j n GLY 162 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.94 1.97 0.05 1.61 2.02 -0.64 -3.47 118.70 119.30 1n8j s GLU 163 Ca 0.00 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 53.68 1n8j s GLU 163 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1n8j s GLU 163 CO 0.00 0.42 -0.06 0.14 0.02 0.00 0.00 175.26 175.79 1n8j s VAL 164 N -1.73 0.45 -0.36 2.63 -7.23 0.60 -4.86 120.40 109.91 1n8j s VAL 164 Ca 0.24 -1.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 1n8j s VAL 164 Cb -0.08 -0.92 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 1n8j s VAL 164 CO 0.14 -0.60 0.31 0.00 -0.31 0.00 0.00 175.10 174.64 1n8j s PRO 166 N 1.84 -1.70 0.50 0.00 0.02 -1.26 -4.85 135.00 129.56 1n8j s PRO 166 Ca 0.08 0.65 -0.23 0.00 0.02 0.00 0.00 61.00 61.52 1n8j s PRO 166 Cb -0.17 -1.48 -0.07 0.00 0.02 0.00 0.00 34.50 32.80 1n8j s PRO 166 CO 0.11 -4.19 1.24 0.00 -0.33 0.00 0.00 177.00 173.82 1n8j n ALA 167 N -5.22 1.15 -0.39 -1.55 0.00 -1.26 -2.16 120.51 111.08 1n8j n ALA 167 Ca 0.05 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1n8j n ALA 167 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.55 0.00 -1.44 0.00 5.02 -1.26 -4.94 118.16 115.00 1n8j n LYS 168 Ca 0.09 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.93 1n8j n LYS 168 Cb 0.43 -3.45 -0.02 0.00 -0.02 0.00 0.00 35.03 31.97 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 -2.00 -0.28 -3.87 2.13 -0.00 -0.92 -5.01 117.44 107.50 1n8j n TRP 169 Ca 0.00 0.84 -0.10 0.00 -0.00 0.00 0.00 57.50 58.23 1n8j n TRP 169 Cb 0.00 -2.01 -0.09 0.00 -0.00 0.00 0.00 31.31 29.22 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 -1.18 0.64 0.10 5.87 1.02 -1.26 -4.95 119.74 119.99 1n8j s LYS 170 Ca 0.62 -0.63 -0.36 0.00 0.02 0.00 0.00 55.97 55.62 1n8j s LYS 170 Cb -0.81 0.26 -0.16 0.00 -0.52 0.00 0.00 37.83 36.59 1n8j s LYS 170 CO 0.58 -0.18 1.30 0.39 -0.92 0.00 0.00 175.35 176.52 1n8j n GLU 171 N 0.80 1.15 0.00 1.68 1.02 -1.26 -0.98 120.64 123.05 1n8j n GLU 171 Ca -0.19 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1n8j n GLU 171 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 2.42 3.28 3.89 0.62 0.00 -1.26 -5.06 105.19 109.08 1n8j n GLY 172 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1n8j n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 173 N -0.66 2.80 0.42 1.61 2.02 -0.16 -5.03 118.70 119.71 1n8j s GLU 173 Ca 0.00 0.39 -0.24 0.00 0.02 0.00 0.00 54.97 55.14 1n8j s GLU 173 Cb 0.00 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 32.11 1n8j s GLU 173 CO 0.00 -1.04 1.13 0.00 0.02 0.00 0.00 175.26 175.38 1n8j s ALA 174 N -3.34 3.07 0.51 5.21 0.00 -1.26 -4.91 121.76 121.05 1n8j s ALA 174 Ca 0.58 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.45 1n8j s ALA 174 Cb -0.11 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1n8j s ALA 174 CO 0.51 -0.49 0.14 0.95 0.00 0.00 0.00 175.76 176.87 1n8j s THR 175 N -1.53 1.41 -0.01 0.00 -4.23 -1.26 -4.65 115.64 105.38 1n8j s THR 175 Ca 0.59 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 1n8j s THR 175 Cb -0.28 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1n8j s THR 175 CO 0.34 0.00 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.51 1n8j s LEU 176 N -4.00 2.69 -0.60 4.79 1.43 -0.55 -4.95 118.68 117.49 1n8j s LEU 176 Ca 0.18 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1n8j s LEU 176 Cb 0.01 -1.56 0.15 0.00 0.03 0.00 0.00 46.19 44.82 1n8j s LEU 176 CO 0.10 0.31 0.39 0.00 0.23 0.00 0.00 176.35 177.38 1n8j s ALA 177 N -0.82 3.52 -0.06 4.21 0.00 -1.26 -0.29 121.76 127.07 1n8j s ALA 177 Ca 0.13 -3.35 -0.40 0.00 0.00 0.00 0.00 51.96 48.34 1n8j s ALA 177 Cb -0.11 -2.44 -0.19 0.00 0.00 0.00 0.00 23.12 20.38 1n8j s ALA 177 CO 0.03 -2.08 1.21 -2.30 0.00 0.00 0.00 175.76 172.62 1n8j n PRO 178 N 3.16 0.25 -3.70 0.00 -0.02 -1.23 -4.95 135.00 128.51 1n8j n PRO 178 Ca 0.08 0.09 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 1n8j n PRO 178 Cb 0.35 -1.62 -0.04 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.60 -0.23 0.37 2.55 1.04 -1.26 -5.04 113.70 111.73 1n8j s SER 179 Ca 0.92 -0.43 0.17 0.00 0.48 0.00 0.00 55.95 57.09 1n8j s SER 179 Cb -1.23 0.52 0.72 0.00 0.10 0.00 0.00 66.02 66.13 1n8j s SER 179 CO 0.59 -0.95 1.77 0.25 0.98 0.00 0.00 173.24 175.87 1n8j h LEU 180 N 2.29 0.00 -0.37 2.42 6.46 -1.98 -2.97 115.31 121.16 1n8j h LEU 180 Ca -0.31 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.27 1n8j h LEU 180 Cb 1.26 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 1n8j h LEU 180 CO 0.42 0.39 -0.82 -0.78 -0.62 0.00 0.00 178.44 177.03 1n8j h ASP 181 N 0.00 0.12 0.92 1.25 1.82 -1.98 -3.11 116.42 115.44 1n8j h ASP 181 Ca -0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1n8j h ASP 181 Cb 0.81 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.78 1n8j h ASP 181 CO 0.05 0.88 0.00 0.18 -1.61 0.00 0.00 179.24 178.75 1n8j n LEU 182 N -3.63 0.44 -4.64 2.28 4.77 -1.13 -4.65 117.00 110.45 1n8j n LEU 182 Ca -0.02 0.58 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 1n8j n LEU 182 Cb 0.78 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1n8j n LEU 182 CO 0.46 -0.29 1.64 -0.69 -1.33 0.00 0.00 177.39 177.17 1n8j s VAL 183 N -3.14 3.12 0.00 4.08 1.01 -1.18 -1.85 120.40 122.45 1n8j s VAL 183 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1n8j s VAL 183 Cb 0.12 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1n8j s VAL 183 CO 0.44 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1n8j n GLY 184 N 4.91 2.16 0.01 4.51 0.00 -1.26 -4.89 105.19 110.62 1n8j n GLY 184 Ca 0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1n8j n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8j n LYS 185 N -2.00 0.03 0.00 1.61 5.02 -0.77 -5.26 118.16 116.78 1n8j n LYS 185 Ca 0.00 -0.02 0.14 0.00 -2.02 0.00 0.00 58.31 56.41 1n8j n LYS 185 Cb 0.00 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.00 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99