#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 0.99 -4.69 2.46 4.77 -1.26 -4.92 117.00 114.35 1n8j n LEU 2 Ca 0.00 -0.32 -0.43 0.00 -0.03 0.00 0.00 56.01 55.23 1n8j n LEU 2 Cb 0.00 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1n8j n LEU 2 CO 0.00 0.17 0.98 0.00 -1.33 0.00 0.00 177.39 177.20 1n8j n ILE 3 N -0.25 1.51 -2.20 -0.08 0.13 -1.26 -1.80 119.36 115.40 1n8j n ILE 3 Ca 0.20 -0.38 -0.17 0.00 -1.10 0.00 0.00 62.75 61.31 1n8j n ILE 3 Cb 0.28 -1.58 -0.02 0.00 -0.84 0.00 0.00 39.64 37.48 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 1.42 -4.97 -4.51 9.51 4.05 0.12 -4.97 115.26 115.90 1n8j n ASN 4 Ca 0.08 0.04 -0.24 0.00 0.45 0.00 0.00 54.58 54.91 1n8j n ASN 4 Cb 0.34 -4.06 -0.10 0.00 1.23 0.00 0.00 39.78 37.20 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 -2.81 2.59 -0.00 -0.44 -4.23 -0.75 -4.85 115.64 105.16 1n8j s THR 5 Ca 0.00 -2.29 -0.19 0.00 -1.18 0.00 0.00 61.69 58.03 1n8j s THR 5 Cb 0.00 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.33 1n8j s THR 5 CO 0.00 -0.36 0.54 -0.75 -0.54 0.00 0.00 174.62 173.52 1n8j s LYS 6 N -3.56 4.23 0.55 3.99 2.20 -1.26 -1.26 119.74 124.63 1n8j s LYS 6 Ca 0.31 0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 56.35 1n8j s LYS 6 Cb -0.04 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1n8j s LYS 6 CO 0.16 0.45 1.29 0.96 -0.36 0.00 0.00 175.35 177.85 1n8j s ILE 7 N -0.42 2.37 0.55 5.43 -4.36 -0.08 -4.98 121.20 119.70 1n8j s ILE 7 Ca 0.29 0.26 -0.07 0.00 -0.26 0.00 0.00 60.65 60.87 1n8j s ILE 7 Cb -0.18 -3.13 -0.03 0.00 1.25 0.00 0.00 42.46 40.38 1n8j s ILE 7 CO 0.16 -0.02 0.89 -0.54 0.24 0.00 0.00 174.94 175.67 1n8j s LYS 8 N -2.98 3.43 0.51 0.37 1.02 -1.26 -5.04 119.74 115.79 1n8j s LYS 8 Ca 0.72 0.34 -0.21 0.00 0.02 0.00 0.00 55.97 56.83 1n8j s LYS 8 Cb -0.36 -2.26 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 1n8j s LYS 8 CO 0.42 -0.43 1.21 -1.25 -0.92 0.00 0.00 175.35 174.39 1n8j s PRO 9 N -4.93 3.42 0.16 -1.68 0.04 -1.26 -4.82 135.00 125.92 1n8j s PRO 9 Ca 0.51 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 1n8j s PRO 9 Cb -0.11 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.22 1n8j s PRO 9 CO 0.48 -0.86 0.43 -0.59 0.04 0.00 0.00 177.00 176.50 1n8j s PHE 10 N -1.52 -0.09 -0.21 0.56 -0.12 -1.26 -4.96 117.98 110.38 1n8j s PHE 10 Ca 0.69 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 57.29 1n8j s PHE 10 Cb -0.31 0.27 0.11 0.00 -0.63 0.00 0.00 43.02 42.45 1n8j s PHE 10 CO 0.37 -0.78 0.32 0.21 -0.05 0.00 0.00 175.22 175.28 1n8j s LYS 11 N -3.85 0.27 0.03 1.99 2.20 -1.26 -3.19 119.74 115.93 1n8j s LYS 11 Ca 0.07 0.55 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1n8j s LYS 11 Cb 0.01 -0.49 -0.02 0.00 -1.51 0.00 0.00 37.83 35.82 1n8j s LYS 11 CO -0.07 -0.54 -0.04 -0.80 -0.36 0.00 0.00 175.35 173.55 1n8j s ASN 12 N 2.48 0.39 0.21 1.43 -0.87 -0.40 -4.99 114.94 113.19 1n8j s ASN 12 Ca 0.07 -0.61 -0.25 0.00 -1.57 0.00 0.00 52.86 50.51 1n8j s ASN 12 Cb -0.14 0.11 -0.08 0.00 -0.02 0.00 0.00 41.25 41.11 1n8j s ASN 12 CO -0.13 -0.35 0.80 -1.10 -2.57 0.00 0.00 177.10 173.75 1n8j s GLN 13 N -2.00 4.52 0.11 -0.60 -1.52 -1.26 -1.09 119.66 117.82 1n8j s GLN 13 Ca -0.10 1.14 0.01 0.00 -1.95 0.00 0.00 55.36 54.46 1n8j s GLN 13 Cb -0.06 -3.11 -0.04 0.00 -0.22 0.00 0.00 33.01 29.57 1n8j s GLN 13 CO -0.03 0.49 -0.04 0.00 -0.25 0.00 0.00 175.29 175.46 1n8j s ALA 14 N -1.30 0.98 -0.13 6.09 0.00 0.80 -1.35 121.76 126.85 1n8j s ALA 14 Ca 0.40 -1.38 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1n8j s ALA 14 Cb -0.21 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1n8j s ALA 14 CO 0.25 -0.29 -0.08 0.12 0.00 0.00 0.00 175.76 175.76 1n8j s PHE 15 N -3.70 2.92 -0.23 0.00 5.36 -0.31 -0.52 117.98 121.49 1n8j s PHE 15 Ca 0.14 -0.39 -0.04 0.00 -0.96 0.00 0.00 56.93 55.69 1n8j s PHE 15 Cb 0.06 -1.87 0.12 0.00 -0.34 0.00 0.00 43.02 40.99 1n8j s PHE 15 CO -0.03 -0.05 0.39 0.21 -1.46 0.00 0.00 175.22 174.27 1n8j s LYS 16 N 0.17 0.34 -0.90 10.12 2.20 0.18 -0.56 119.74 131.29 1n8j s LYS 16 Ca -0.04 0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 56.16 1n8j s LYS 16 Cb -0.14 -0.27 -0.01 0.00 -1.51 0.00 0.00 37.83 35.89 1n8j s LYS 16 CO 0.04 -0.55 0.72 0.09 -0.36 0.00 0.00 175.35 175.30 1n8j n ASN 17 N 5.37 -6.27 0.00 1.43 3.02 -1.26 -2.64 115.26 114.91 1n8j n ASN 17 Ca -0.05 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1n8j n ASN 17 Cb 0.50 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 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 -1.67 2.69 3.41 7.41 0.00 -1.26 -4.99 105.19 110.79 1n8j n GLY 18 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 1.54 -0.08 1.61 -1.05 -1.08 -5.13 118.70 114.50 1n8j s GLU 19 Ca 0.00 -1.82 -0.17 0.00 -0.15 0.00 0.00 54.97 52.84 1n8j s GLU 19 Cb 0.00 -0.89 -0.05 0.00 -0.44 0.00 0.00 34.13 32.76 1n8j s GLU 19 CO 0.00 -0.10 0.44 -0.06 0.95 0.00 0.00 175.26 176.49 1n8j s PHE 20 N -3.24 3.58 0.26 4.83 0.08 -1.26 -0.65 117.98 121.58 1n8j s PHE 20 Ca 0.32 0.90 0.02 0.00 0.12 0.00 0.00 56.93 58.29 1n8j s PHE 20 Cb 0.07 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1n8j s PHE 20 CO 0.13 0.33 0.17 0.96 -0.10 0.00 0.00 175.22 176.70 1n8j s ILE 21 N 0.06 0.12 -0.12 0.64 -4.36 0.32 -4.96 121.20 112.89 1n8j s ILE 21 Ca 0.24 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.65 1n8j s ILE 21 Cb -0.15 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1n8j s ILE 21 CO 0.11 0.00 -0.18 -0.70 0.24 0.00 0.00 174.94 174.41 1n8j s GLU 22 N -3.89 3.21 0.00 0.37 2.12 -1.26 -0.14 118.70 119.10 1n8j s GLU 22 Ca 0.38 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.98 1n8j s GLU 22 Cb 0.05 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1n8j s GLU 22 CO 0.17 0.15 -0.13 0.08 -0.54 0.00 0.00 175.26 174.99 1n8j s VAL 23 N 0.46 3.15 0.28 3.70 1.01 -0.25 -4.97 120.40 123.77 1n8j s VAL 23 Ca -0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1n8j s VAL 23 Cb -0.17 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1n8j s VAL 23 CO 0.05 0.43 0.30 0.42 0.00 0.00 0.00 175.10 176.30 1n8j s THR 24 N -0.89 0.00 0.32 3.92 -4.23 -1.26 -1.27 115.64 112.23 1n8j s THR 24 Ca 0.14 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.83 1n8j s THR 24 Cb -0.11 -2.49 0.28 0.00 1.34 0.00 0.00 72.50 71.52 1n8j s THR 24 CO 0.05 0.00 1.95 1.05 -0.54 0.00 0.00 174.62 177.13 1n8j h GLU 25 N 2.32 0.96 -1.12 3.99 9.09 -1.86 -2.13 114.58 125.81 1n8j h GLU 25 Ca -0.30 -0.06 0.31 0.00 0.05 0.00 0.00 59.36 59.37 1n8j h GLU 25 Cb 1.24 -0.22 -0.09 0.00 -1.65 0.00 0.00 28.75 28.03 1n8j h GLU 25 CO 0.43 0.63 0.74 0.87 0.05 0.00 0.00 179.01 181.73 1n8j h LYS 26 N 0.99 0.26 0.00 1.06 6.56 -1.96 0.67 116.57 124.15 1n8j h LYS 26 Ca 0.33 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1n8j h LYS 26 Cb 0.07 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.67 1n8j h LYS 26 CO -0.10 0.17 0.00 -0.44 -2.06 0.00 0.00 179.45 177.02 1n8j h ASP 27 N 0.27 0.00 0.31 0.86 3.32 -1.79 -3.03 116.42 116.36 1n8j h ASP 27 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1n8j h ASP 27 Cb 1.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1n8j h ASP 27 CO -0.28 0.00 -1.60 0.35 -1.72 0.00 0.00 179.24 175.99 1n8j n THR 28 N -2.32 0.18 -1.73 0.35 -2.24 0.23 -4.89 114.28 103.87 1n8j n THR 28 Ca 0.02 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1n8j n THR 28 Cb 0.22 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.32 2.58 -0.79 -0.78 1.02 -1.15 -1.98 120.64 117.24 1n8j n GLU 29 Ca -0.02 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 1n8j n GLU 29 Cb 0.54 -2.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 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 2.20 1.31 3.56 0.62 0.00 -0.67 -4.99 105.19 107.21 1n8j n GLY 30 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.04 1.90 -0.12 1.61 0.52 -0.84 -4.82 118.95 117.15 1n8j s ARG 31 Ca 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 55.73 52.99 1n8j s ARG 31 Cb 0.00 -1.00 -0.04 0.00 0.52 0.00 0.00 34.95 34.42 1n8j s ARG 31 CO 0.00 -0.31 0.18 -1.58 0.02 0.00 0.00 175.30 173.61 1n8j s TRP 32 N -3.11 3.57 0.05 -0.53 0.52 -1.13 -1.72 118.94 116.59 1n8j s TRP 32 Ca 0.25 0.55 0.05 0.00 0.02 0.00 0.00 56.10 56.98 1n8j s TRP 32 Cb 0.05 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1n8j s TRP 32 CO 0.13 0.62 -0.15 -1.12 0.02 0.00 0.00 176.95 176.44 1n8j s SER 33 N -0.69 1.80 -0.20 2.95 0.01 0.15 -0.25 113.70 117.47 1n8j s SER 33 Ca 0.15 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.89 1n8j s SER 33 Cb -0.12 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.06 1n8j s SER 33 CO 0.04 0.01 -0.07 -0.69 0.41 0.00 0.00 173.24 172.94 1n8j s VAL 34 N -1.00 1.45 -0.37 3.43 1.01 -0.54 0.64 120.40 125.03 1n8j s VAL 34 Ca 0.01 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 1n8j s VAL 34 Cb -0.09 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1n8j s VAL 34 CO 0.02 0.05 0.41 -0.36 0.00 0.00 0.00 175.10 175.21 1n8j s PHE 35 N 1.46 3.19 -0.47 5.22 0.40 -0.04 -1.26 117.98 126.48 1n8j s PHE 35 Ca -0.03 -0.11 -0.08 0.00 -0.60 0.00 0.00 56.93 56.12 1n8j s PHE 35 Cb -0.17 -2.78 0.12 0.00 0.51 0.00 0.00 43.02 40.70 1n8j s PHE 35 CO -0.07 -0.53 0.33 0.12 0.70 0.00 0.00 175.22 175.76 1n8j s PHE 36 N 2.11 3.47 0.17 0.36 5.36 0.72 -1.23 117.98 128.94 1n8j s PHE 36 Ca 0.13 -2.04 -0.17 0.00 -0.96 0.00 0.00 56.93 53.88 1n8j s PHE 36 Cb -0.17 -3.43 -0.07 0.00 -0.34 0.00 0.00 43.02 39.01 1n8j s PHE 36 CO 0.13 -0.98 0.63 -0.06 -1.46 0.00 0.00 175.22 173.47 1n8j s PHE 37 N 1.22 3.64 0.06 10.12 0.40 -0.24 0.31 117.98 133.49 1n8j s PHE 37 Ca 0.07 1.22 -0.07 0.00 -0.60 0.00 0.00 56.93 57.55 1n8j s PHE 37 Cb -0.25 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 40.79 1n8j s PHE 37 CO -0.02 0.40 0.15 1.52 0.70 0.00 0.00 175.22 177.98 1n8j s TYR 38 N -1.46 0.17 0.05 0.36 -0.85 -0.33 -3.21 117.35 112.08 1n8j s TYR 38 Ca 0.39 -0.52 -0.31 0.00 -0.52 0.00 0.00 57.07 56.11 1n8j s TYR 38 Cb -0.16 -0.10 -0.18 0.00 0.38 0.00 0.00 41.96 41.90 1n8j s TYR 38 CO 0.20 -0.45 1.45 -1.35 -1.52 0.00 0.00 175.55 173.88 1n8j h PRO 39 N 3.21 -0.90 -2.27 -3.49 0.11 -1.78 -3.39 132.00 123.50 1n8j h PRO 39 Ca -0.33 0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1n8j h PRO 39 Cb 1.19 0.20 -0.19 0.00 0.11 0.00 0.00 31.00 32.31 1n8j h PRO 39 CO 0.53 -0.57 0.09 0.00 -0.21 0.00 0.00 178.00 177.84 1n8j s ALA 40 N -5.64 -1.55 0.74 -0.75 0.00 -1.26 -4.22 121.76 109.08 1n8j s ALA 40 Ca -0.17 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 1n8j s ALA 40 Cb 0.03 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1n8j s ALA 40 CO 0.56 -0.37 1.08 -0.51 0.00 0.00 0.00 175.76 176.53 1n8j s ASP 41 N -1.30 4.85 -1.46 0.00 1.11 -1.26 -3.79 116.67 114.82 1n8j s ASP 41 Ca -0.11 1.71 0.00 0.00 0.18 0.00 0.00 52.55 54.33 1n8j s ASP 41 Cb -0.01 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.50 1n8j s ASP 41 CO 0.08 -1.80 0.00 0.49 1.18 0.00 0.00 175.17 175.12 1n8j n PHE 42 N -3.36 -0.66 -3.00 4.23 3.01 -1.26 -5.00 117.46 111.42 1n8j n PHE 42 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1n8j n PHE 42 Cb 0.53 -3.26 0.00 0.00 -0.01 0.00 0.00 39.48 36.74 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 -3.78 0.00 -0.10 4.37 -2.24 -1.25 -5.12 114.28 106.16 1n8j n THR 43 Ca -0.19 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1n8j n THR 43 Cb 0.63 -0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.25 0.03 -0.05 4.78 3.72 -1.26 -4.50 117.46 119.94 1n8j n PHE 44 Ca 0.00 0.01 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1n8j n PHE 44 Cb 0.00 -0.60 -0.07 0.00 -0.94 0.00 0.00 39.48 37.87 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 -1.00 1.32 -0.69 -4.37 2.07 -1.97 -3.32 116.25 108.28 1n8j h VAL 45 Ca -0.12 -1.11 0.14 0.00 0.82 0.00 0.00 66.70 66.43 1n8j h VAL 45 Cb 1.09 1.78 -0.13 0.00 -1.52 0.00 0.00 31.29 32.51 1n8j h VAL 45 CO -0.07 0.32 -0.11 0.28 0.02 0.00 0.00 177.57 178.01 1n8j h SER 46 N -0.07 -0.53 -0.59 0.57 0.02 -1.90 -1.69 113.55 109.37 1n8j h SER 46 Ca 0.03 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.26 1n8j h SER 46 Cb 0.54 0.39 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 1n8j h SER 46 CO 0.02 -0.21 0.23 -0.65 -1.14 0.00 0.00 176.83 175.08 1n8j h PRO 47 N 0.03 0.40 -0.31 3.45 0.11 -1.79 -0.07 132.00 133.83 1n8j h PRO 47 Ca 0.35 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.40 1n8j h PRO 47 Cb 0.56 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 1n8j h PRO 47 CO -0.68 0.27 0.05 1.79 -0.21 0.00 0.00 178.00 179.22 1n8j h THR 48 N 0.41 1.16 -0.04 -1.15 1.35 -1.45 0.75 112.91 113.94 1n8j h THR 48 Ca 0.29 -0.58 -0.07 0.00 -0.55 0.00 0.00 66.41 65.50 1n8j h THR 48 Cb 0.34 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1n8j h THR 48 CO -0.29 0.21 -0.26 -0.33 -0.25 0.00 0.00 175.52 174.60 1n8j h GLU 49 N 0.44 0.24 -0.87 4.72 5.08 -0.82 -1.58 114.58 121.78 1n8j h GLU 49 Ca 0.10 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1n8j h GLU 49 Cb 0.21 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1n8j h GLU 49 CO 0.00 0.88 0.57 -0.07 -1.00 0.00 0.00 179.01 179.39 1n8j h LEU 50 N -0.33 0.98 -0.58 1.33 3.38 -0.83 -0.47 115.31 118.79 1n8j h LEU 50 Ca -0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1n8j h LEU 50 Cb 0.94 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1n8j h LEU 50 CO 0.05 0.71 -0.18 1.23 0.09 0.00 0.00 178.44 180.34 1n8j h GLY 51 N 1.16 1.03 1.01 0.83 0.00 -0.86 -1.13 103.07 105.11 1n8j h GLY 51 Ca 0.32 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.79 1n8j h GLY 51 CO -0.07 0.79 0.39 -1.80 0.00 0.00 0.00 176.54 175.84 1n8j h ASP 52 N 0.83 0.67 -0.03 0.19 -0.00 -0.40 -0.48 116.42 117.20 1n8j h ASP 52 Ca 0.12 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.03 57.07 1n8j h ASP 52 Cb 0.73 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 1n8j h ASP 52 CO 0.06 0.49 -0.14 0.58 -0.00 0.00 0.00 179.24 180.22 1n8j h VAL 53 N 0.79 1.21 -0.34 2.25 2.07 -0.81 -2.61 116.25 118.81 1n8j h VAL 53 Ca 0.21 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1n8j h VAL 53 Cb -0.09 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1n8j h VAL 53 CO -0.05 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.90 1n8j h ALA 54 N 1.53 0.45 -0.22 1.67 0.00 -0.16 -2.28 119.26 120.24 1n8j h ALA 54 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1n8j h ALA 54 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n8j h ALA 54 CO 0.03 0.14 0.29 -0.44 0.00 0.00 0.00 179.25 179.28 1n8j h ASP 55 N 0.40 0.00 -0.49 0.00 3.32 -0.73 0.74 116.42 119.66 1n8j h ASP 55 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1n8j h ASP 55 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1n8j h ASP 55 CO 0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 1n8j n HIS 56 N -3.60 0.65 -0.15 4.55 8.25 -0.91 -4.61 115.22 119.40 1n8j n HIS 56 Ca 0.03 -0.49 -0.01 0.00 -0.26 0.00 0.00 57.72 56.99 1n8j n HIS 56 Cb 0.42 -0.02 0.23 0.00 1.12 0.00 0.00 29.99 31.75 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 2.90 0.85 0.57 4.41 3.20 -0.35 -0.92 116.97 127.63 1n8j h TYR 57 Ca 0.00 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1n8j h TYR 57 Cb 0.83 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.84 1n8j h TYR 57 CO 0.32 0.64 -0.28 0.93 -1.64 0.00 0.00 178.16 178.13 1n8j h GLU 58 N 0.85 -0.75 -0.63 1.82 4.39 -1.82 0.24 114.58 118.69 1n8j h GLU 58 Ca 0.21 0.05 0.11 0.00 0.34 0.00 0.00 59.36 60.07 1n8j h GLU 58 Cb 0.12 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 1n8j h GLU 58 CO -0.02 -0.50 0.18 1.49 -1.16 0.00 0.00 179.01 179.00 1n8j h GLU 59 N -0.78 0.31 -0.50 2.33 4.81 -1.83 -0.15 114.58 118.78 1n8j h GLU 59 Ca -0.08 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1n8j h GLU 59 Cb 0.60 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1n8j h GLU 59 CO 0.12 0.21 0.12 -0.07 -0.73 0.00 0.00 179.01 178.66 1n8j h LEU 60 N 0.32 0.76 -0.62 1.64 3.38 -0.87 -2.07 115.31 117.86 1n8j h LEU 60 Ca 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1n8j h LEU 60 Cb 0.47 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1n8j h LEU 60 CO -0.38 0.79 0.23 1.56 0.09 0.00 0.00 178.44 180.73 1n8j h GLN 61 N 0.69 0.93 0.00 1.13 1.08 0.34 0.17 115.11 119.45 1n8j h GLN 61 Ca 0.16 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1n8j h GLN 61 Cb 0.33 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1n8j h GLN 61 CO 0.00 0.80 -0.08 0.87 -0.95 0.00 0.00 178.83 179.48 1n8j h LYS 62 N 0.87 0.00 -0.01 1.46 1.57 -0.90 -0.18 116.57 119.38 1n8j h LYS 62 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 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 -0.01 0.08 -0.18 1.28 -0.57 0.00 0.00 179.45 180.04 1n8j n LEU 63 N -3.49 0.86 0.00 2.94 4.77 -0.51 -4.92 117.00 116.65 1n8j n LEU 63 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1n8j n LEU 63 Cb 0.21 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1n8j n LEU 63 CO 0.28 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1n8j n GLY 64 N 1.30 0.50 3.59 -0.72 0.00 -0.08 -4.98 105.19 104.81 1n8j n GLY 64 Ca 0.14 -0.88 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 4.98 0.14 1.61 1.01 0.48 -2.86 120.40 123.76 1n8j s VAL 65 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1n8j s VAL 65 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.00 1n8j s VAL 65 CO 0.00 0.35 0.45 -1.81 0.00 0.00 0.00 175.10 174.09 1n8j s ASP 66 N 1.19 6.62 -0.12 3.32 1.01 0.66 -3.95 116.67 125.40 1n8j s ASP 66 Ca 0.06 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.16 1n8j s ASP 66 Cb -0.14 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.61 1n8j s ASP 66 CO 0.05 0.07 -0.23 -0.69 0.21 0.00 0.00 175.17 174.58 1n8j s VAL 67 N -1.58 2.02 -0.16 -1.27 1.01 -1.26 -1.47 120.40 117.69 1n8j s VAL 67 Ca 0.39 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1n8j s VAL 67 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1n8j s VAL 67 CO 0.21 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.39 1n8j s TYR 68 N 0.59 2.32 0.11 5.22 1.51 -0.39 -3.21 117.35 123.51 1n8j s TYR 68 Ca -0.13 -1.33 -0.11 0.00 -1.01 0.00 0.00 57.07 54.50 1n8j s TYR 68 Cb -0.17 -1.68 -0.06 0.00 -0.11 0.00 0.00 41.96 39.95 1n8j s TYR 68 CO 0.03 -0.70 0.44 -1.54 -1.11 0.00 0.00 175.55 172.67 1n8j s SER 69 N 1.44 6.67 -0.01 2.29 1.04 -0.80 -0.20 113.70 124.13 1n8j s SER 69 Ca 0.05 0.85 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1n8j s SER 69 Cb -0.13 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.80 1n8j s SER 69 CO -0.11 0.13 -0.01 -0.69 0.98 0.00 0.00 173.24 173.54 1n8j s VAL 70 N -1.46 0.18 0.18 5.02 1.01 0.15 -0.86 120.40 124.62 1n8j s VAL 70 Ca 0.36 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.24 1n8j s VAL 70 Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1n8j s VAL 70 CO 0.19 0.09 0.28 -0.94 0.00 0.00 0.00 175.10 174.71 1n8j s SER 71 N 0.38 0.06 -0.01 3.32 1.04 -1.20 -1.18 113.70 116.11 1n8j s SER 71 Ca -0.04 -1.00 0.04 0.00 0.48 0.00 0.00 55.95 55.43 1n8j s SER 71 Cb -0.06 0.44 0.14 0.00 0.10 0.00 0.00 66.02 66.64 1n8j s SER 71 CO -0.01 -0.92 1.05 0.35 0.98 0.00 0.00 173.24 174.69 1n8j n THR 72 N -0.25 0.26 -1.80 2.02 -2.24 -1.26 -1.39 114.28 109.62 1n8j n THR 72 Ca -0.04 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.23 1n8j n THR 72 Cb 0.63 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.95 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -0.86 4.60 0.73 3.42 1.01 -1.26 -3.61 116.67 120.70 1n8j s ASP 73 Ca 0.10 0.96 -0.08 0.00 0.71 0.00 0.00 52.55 54.24 1n8j s ASP 73 Cb 0.06 -1.57 0.06 0.00 1.01 0.00 0.00 42.92 42.48 1n8j s ASP 73 CO 0.06 -1.86 1.05 0.42 0.21 0.00 0.00 175.17 175.05 1n8j s THR 74 N -3.43 2.22 -0.05 -1.27 -4.23 -1.26 -2.32 115.64 105.31 1n8j s THR 74 Ca 0.61 -0.21 0.29 0.00 -1.18 0.00 0.00 61.69 61.21 1n8j s THR 74 Cb -0.12 -3.00 0.35 0.00 1.34 0.00 0.00 72.50 71.07 1n8j s THR 74 CO 0.51 -0.01 1.85 1.12 -0.54 0.00 0.00 174.62 177.56 1n8j h HIS 75 N -0.70 0.00 -0.27 3.99 2.07 -1.88 -2.77 115.15 115.59 1n8j h HIS 75 Ca -0.45 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.03 1n8j h HIS 75 Cb 1.32 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.29 1n8j h HIS 75 CO 0.33 0.04 -0.01 0.74 -3.07 0.00 0.00 177.93 175.96 1n8j h PHE 76 N 0.00 0.52 -0.75 6.12 -1.00 -1.97 -2.16 116.94 117.71 1n8j h PHE 76 Ca -0.00 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 1n8j h PHE 76 Cb 0.69 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 1n8j h PHE 76 CO 0.00 0.64 0.45 1.15 -1.61 0.00 0.00 178.31 178.94 1n8j h THR 77 N 0.25 1.22 -0.73 -1.55 2.02 -1.89 -2.19 112.91 110.04 1n8j h THR 77 Ca 0.07 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.81 1n8j h THR 77 Cb 0.44 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.98 1n8j h THR 77 CO 0.02 0.23 0.45 0.45 0.37 0.00 0.00 175.52 177.04 1n8j h HIS 78 N 1.03 0.84 -0.18 3.16 3.86 -1.26 0.12 115.15 122.73 1n8j h HIS 78 Ca 0.27 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 1n8j h HIS 78 Cb -0.02 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 1n8j h HIS 78 CO -0.01 0.46 0.08 -0.22 0.86 0.00 0.00 177.93 179.11 1n8j h LYS 79 N 0.87 0.26 -0.19 2.45 3.64 -1.03 0.34 116.57 122.92 1n8j h LYS 79 Ca 0.30 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1n8j h LYS 79 Cb 0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1n8j h LYS 79 CO -0.13 0.31 -0.03 0.00 -2.27 0.00 0.00 179.45 177.32 1n8j h ALA 80 N 0.94 1.60 -0.02 5.00 0.00 -0.91 -1.80 119.26 124.07 1n8j h ALA 80 Ca 0.06 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1n8j h ALA 80 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1n8j h ALA 80 CO -0.01 0.29 -0.78 2.35 0.00 0.00 0.00 179.25 181.10 1n8j h TRP 81 N 0.27 0.27 0.00 0.00 7.01 -0.39 -2.88 115.95 120.23 1n8j h TRP 81 Ca 0.06 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1n8j h TRP 81 Cb 0.24 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1n8j h TRP 81 CO 0.00 0.90 0.00 1.58 -2.79 0.00 0.00 178.44 178.13 1n8j n HIS 82 N -3.72 0.00 -0.13 2.65 -0.00 0.08 -2.59 115.22 111.51 1n8j n HIS 82 Ca -0.03 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.90 1n8j n HIS 82 Cb 0.74 -0.36 -0.10 0.00 -0.12 0.00 0.00 29.99 30.15 1n8j n HIS 82 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1n8j n SER 83 N -1.36 1.93 -0.17 0.26 7.64 -1.02 -3.95 113.62 116.95 1n8j n SER 83 Ca 0.08 0.17 0.15 0.00 1.01 0.00 0.00 58.87 60.27 1n8j n SER 83 Cb 0.18 -0.65 0.68 0.00 -1.01 0.00 0.00 64.21 63.41 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 -3.86 0.58 -4.18 6.43 3.41 -1.12 -4.79 113.62 110.09 1n8j n SER 84 Ca -0.49 -0.88 -0.33 0.00 -0.26 0.00 0.00 58.87 56.91 1n8j n SER 84 Cb 0.90 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.65 1n8j n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n8j s SER 85 N -2.25 3.17 0.15 4.04 0.15 -1.07 -5.00 113.70 112.89 1n8j s SER 85 Ca 0.36 -0.59 -0.14 0.00 0.70 0.00 0.00 55.95 56.28 1n8j s SER 85 Cb 0.21 -1.46 0.04 0.00 -1.71 0.00 0.00 66.02 63.10 1n8j s SER 85 CO 0.42 0.08 1.70 -0.33 1.20 0.00 0.00 173.24 176.31 1n8j h GLU 86 N 7.31 0.77 -0.06 5.44 4.39 -1.89 -0.37 114.58 130.16 1n8j h GLU 86 Ca -0.32 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 1n8j h GLU 86 Cb 1.19 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1n8j h GLU 86 CO 0.55 0.70 0.01 1.79 -1.16 0.00 0.00 179.01 180.90 1n8j h THR 87 N 0.68 1.20 -0.51 1.13 1.35 -1.95 -2.99 112.91 111.83 1n8j h THR 87 Ca 0.17 -0.62 -0.02 0.00 -0.55 0.00 0.00 66.41 65.39 1n8j h THR 87 Cb 0.23 1.50 -0.02 0.00 -1.73 0.00 0.00 68.15 68.12 1n8j h THR 87 CO -0.01 0.17 0.23 0.40 -0.25 0.00 0.00 175.52 176.06 1n8j h ILE 88 N -0.13 1.18 -0.53 6.82 1.08 -1.83 -2.37 117.51 121.72 1n8j h ILE 88 Ca 0.02 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 1n8j h ILE 88 Cb 0.26 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1n8j h ILE 88 CO 0.00 0.21 0.36 0.00 -0.69 0.00 0.00 178.15 178.02 1n8j h ALA 89 N 1.55 1.89 0.00 1.87 0.00 -0.92 -0.60 119.26 123.05 1n8j h ALA 89 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n8j h ALA 89 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1n8j h ALA 89 CO -0.02 0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.60 1n8j n LYS 90 N -4.47 0.83 -2.87 0.00 2.85 -0.89 -4.75 118.16 108.85 1n8j n LYS 90 Ca 0.07 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.93 1n8j n LYS 90 Cb 0.25 -1.19 -0.04 0.00 -0.65 0.00 0.00 35.03 33.40 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 -2.00 4.82 0.00 0.58 1.01 -0.24 -4.89 121.20 120.48 1n8j s ILE 91 Ca 0.15 1.78 0.00 0.00 0.00 0.00 0.00 60.65 62.59 1n8j s ILE 91 Cb 0.07 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1n8j s ILE 91 CO 0.12 0.27 0.76 0.29 0.00 0.00 0.00 174.94 176.37 1n8j n LYS 92 N 3.39 1.60 -3.09 2.79 5.02 -1.26 -4.77 118.16 121.84 1n8j n LYS 92 Ca 0.01 -1.04 -0.18 0.00 -2.02 0.00 0.00 58.31 55.08 1n8j n LYS 92 Cb 0.51 -0.83 0.02 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.56 2.51 0.18 2.13 -0.85 -1.26 -4.69 117.35 114.80 1n8j s TYR 93 Ca 0.00 -0.48 -0.30 0.00 -0.52 0.00 0.00 57.07 55.77 1n8j s TYR 93 Cb 0.00 -2.32 -0.08 0.00 0.38 0.00 0.00 41.96 39.94 1n8j s TYR 93 CO 0.00 -0.53 1.20 0.00 -1.52 0.00 0.00 175.55 174.70 1n8j s ALA 94 N -2.43 3.44 -0.47 9.51 0.00 -1.20 -4.69 121.76 125.92 1n8j s ALA 94 Ca 0.55 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 1n8j s ALA 94 Cb -0.08 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.74 1n8j s ALA 94 CO 0.33 -0.38 0.32 -1.64 0.00 0.00 0.00 175.76 174.39 1n8j s MET 95 N -0.17 2.34 0.14 0.00 -1.94 0.28 -1.90 119.30 118.05 1n8j s MET 95 Ca 0.53 -1.88 -0.30 0.00 -1.71 0.00 0.00 55.69 52.33 1n8j s MET 95 Cb -0.33 -3.80 -0.06 0.00 2.01 0.00 0.00 34.83 32.65 1n8j s MET 95 CO 0.36 -1.15 1.01 0.42 -0.01 0.00 0.00 175.02 175.65 1n8j s ILE 96 N 1.11 4.27 -0.14 2.53 1.01 -0.04 -1.16 121.20 128.78 1n8j s ILE 96 Ca 0.08 1.91 -0.08 0.00 0.00 0.00 0.00 60.65 62.56 1n8j s ILE 96 Cb -0.24 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 37.97 1n8j s ILE 96 CO -0.03 0.31 0.13 -0.83 0.00 0.00 0.00 174.94 174.52 1n8j s GLY 97 N -0.05 2.12 -0.39 6.18 0.00 -0.46 -3.22 107.32 111.51 1n8j s GLY 97 Ca 0.48 -0.66 0.10 0.00 0.00 0.00 0.00 44.72 44.64 1n8j s GLY 97 CO 0.31 -0.24 0.64 1.34 0.00 0.00 0.00 173.10 175.16 1n8j n ASP 98 N 2.41 0.70 0.27 1.64 2.03 -0.49 -4.26 116.55 118.86 1n8j n ASP 98 Ca -0.19 -2.89 0.13 0.00 0.52 0.00 0.00 54.79 52.36 1n8j n ASP 98 Cb 0.54 -0.63 0.78 0.00 -0.72 0.00 0.00 41.12 41.09 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 3.48 0.00 0.00 -0.67 0.13 -1.71 -1.57 132.00 131.66 1n8j h PRO 99 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1n8j h PRO 99 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1n8j h PRO 99 CO 0.50 0.09 -0.04 1.79 -0.23 0.00 0.00 178.00 180.11 1n8j h THR 100 N 0.00 0.00 0.00 1.56 1.35 -1.93 -3.47 112.91 110.42 1n8j h THR 100 Ca -0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1n8j h THR 100 Cb 0.24 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1n8j h THR 100 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1n8j n GLY 101 N 1.24 0.64 0.21 5.82 0.00 -0.59 -4.92 105.19 107.59 1n8j n GLY 101 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 0.53 -0.28 4.61 0.00 -1.91 0.09 119.26 122.31 1n8j h ALA 102 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1n8j h ALA 102 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1n8j h ALA 102 CO 0.00 0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 1n8j h LEU 103 N 0.51 0.53 -1.16 0.00 6.46 -1.91 -1.47 115.31 118.27 1n8j h LEU 103 Ca 0.12 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1n8j h LEU 103 Cb 0.36 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1n8j h LEU 103 CO 0.01 0.76 0.57 0.74 -0.62 0.00 0.00 178.44 179.89 1n8j h THR 104 N 0.29 1.22 0.00 1.05 2.02 -1.89 -2.09 112.91 113.51 1n8j h THR 104 Ca 0.07 -0.40 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1n8j h THR 104 Cb 0.52 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1n8j h THR 104 CO 0.02 0.21 -0.45 0.03 0.37 0.00 0.00 175.52 175.71 1n8j h ARG 105 N 1.16 0.00 -0.69 6.66 3.08 -0.78 -0.97 114.38 122.84 1n8j h ARG 105 Ca 0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 1n8j h ARG 105 Cb -0.13 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1n8j h ARG 105 CO -0.07 0.45 0.32 -0.91 -1.07 0.00 0.00 179.97 178.70 1n8j h ASN 106 N 0.00 0.89 -0.33 7.04 2.35 -0.57 -0.90 115.58 124.06 1n8j h ASN 106 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1n8j h ASN 106 Cb 1.13 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1n8j h ASN 106 CO 0.06 0.76 0.00 0.49 -1.65 0.00 0.00 177.43 177.09 1n8j n PHE 107 N -4.33 0.72 -3.97 1.19 3.72 -1.07 -4.87 117.46 108.84 1n8j n PHE 107 Ca 0.06 -0.29 -0.28 0.00 -0.05 0.00 0.00 57.45 56.90 1n8j n PHE 107 Cb 0.14 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.45 -1.69 -0.72 4.37 2.03 -0.34 -4.89 116.55 115.76 1n8j n ASP 108 Ca 0.13 -0.95 0.06 0.00 0.52 0.00 0.00 54.79 54.54 1n8j n ASP 108 Cb 0.48 -3.24 0.14 0.00 -0.72 0.00 0.00 41.12 37.79 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 -2.90 1.53 -4.79 1.67 4.05 -0.39 -5.02 115.26 109.41 1n8j n ASN 109 Ca -0.18 -3.21 -0.36 0.00 0.45 0.00 0.00 54.58 51.28 1n8j n ASN 109 Cb 0.62 -0.44 -0.07 0.00 1.23 0.00 0.00 39.78 41.12 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 -2.22 3.91 -0.78 1.20 1.75 -1.26 -1.77 119.30 120.13 1n8j s MET 110 Ca 0.34 -0.06 -0.18 0.00 -1.25 0.00 0.00 55.69 54.53 1n8j s MET 110 Cb 0.34 -3.32 0.13 0.00 2.84 0.00 0.00 34.83 34.81 1n8j s MET 110 CO -0.07 0.49 0.93 1.03 -0.65 0.00 0.00 175.02 176.75 1n8j s ARG 111 N -0.25 3.38 0.31 4.11 0.52 -0.00 -4.92 118.95 122.10 1n8j s ARG 111 Ca 0.14 -1.63 0.05 0.00 -0.52 0.00 0.00 55.73 53.77 1n8j s ARG 111 Cb -0.12 -4.56 0.71 0.00 0.52 0.00 0.00 34.95 31.50 1n8j s ARG 111 CO 0.03 -1.63 1.81 0.93 0.02 0.00 0.00 175.30 176.45 1n8j h GLU 112 N 8.85 0.79 0.00 3.54 4.39 -1.95 -0.02 114.58 130.18 1n8j h GLU 112 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1n8j h GLU 112 Cb 1.05 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1n8j h GLU 112 CO 1.06 0.52 0.00 -0.40 -1.16 0.00 0.00 179.01 179.03 1n8j n ASP 113 N -4.69 0.00 -0.00 1.42 5.75 -1.26 -3.41 116.55 114.36 1n8j n ASP 113 Ca 0.21 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 55.13 1n8j n ASP 113 Cb 0.51 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 40.23 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.35 1.32 -1.17 0.11 1.02 -0.59 -5.00 120.64 114.98 1n8j n GLU 114 Ca 0.08 -0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.16 1n8j n GLU 114 Cb 0.19 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 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 2.53 0.75 3.38 0.62 0.00 -0.12 -5.01 105.19 107.33 1n8j n GLY 115 Ca -0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.15 2.35 0.42 0.99 1.43 -1.22 -4.78 118.68 116.73 1n8j s LEU 116 Ca 0.00 -0.78 -0.18 0.00 -1.03 0.00 0.00 54.13 52.15 1n8j s LEU 116 Cb 0.00 -1.14 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1n8j s LEU 116 CO 0.00 0.13 0.89 0.00 0.23 0.00 0.00 176.35 177.61 1n8j s ALA 117 N -1.29 3.14 0.69 4.21 0.00 -1.26 -0.82 121.76 126.43 1n8j s ALA 117 Ca 0.15 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 1n8j s ALA 117 Cb -0.09 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1n8j s ALA 117 CO 0.07 0.09 1.06 -0.51 0.00 0.00 0.00 175.76 176.47 1n8j s ASP 118 N -2.48 5.40 -0.86 0.00 -0.00 -0.73 -2.88 116.67 115.13 1n8j s ASP 118 Ca 0.58 1.01 -0.25 0.00 -0.00 0.00 0.00 52.55 53.89 1n8j s ASP 118 Cb -0.10 -1.83 0.03 0.00 -0.00 0.00 0.00 42.92 41.03 1n8j s ASP 118 CO 0.20 -1.32 1.41 -0.13 -0.00 0.00 0.00 175.17 175.32 1n8j s ARG 119 N -5.30 3.30 0.05 8.23 0.52 -1.26 -4.09 118.95 120.41 1n8j s ARG 119 Ca 0.58 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1n8j s ARG 119 Cb -0.11 -4.73 -0.02 0.00 0.52 0.00 0.00 34.95 30.61 1n8j s ARG 119 CO 0.50 -2.26 -0.12 0.00 0.02 0.00 0.00 175.30 173.44 1n8j s ALA 120 N 5.78 0.94 -0.06 2.13 0.00 -1.20 -1.03 121.76 128.32 1n8j s ALA 120 Ca 0.43 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1n8j s ALA 120 Cb -0.05 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1n8j s ALA 120 CO 0.04 0.11 -0.12 0.99 0.00 0.00 0.00 175.76 176.78 1n8j s THR 121 N -1.17 1.13 -0.03 0.00 2.01 0.63 -1.07 115.64 117.13 1n8j s THR 121 Ca -0.04 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.53 1n8j s THR 121 Cb -0.09 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1n8j s THR 121 CO 0.01 0.35 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.73 1n8j s PHE 122 N 0.60 1.93 -0.23 4.92 0.40 -0.37 -1.76 117.98 123.47 1n8j s PHE 122 Ca -0.13 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1n8j s PHE 122 Cb -0.15 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 1n8j s PHE 122 CO 0.03 -0.11 0.02 0.08 0.70 0.00 0.00 175.22 175.94 1n8j s VAL 123 N -0.25 3.96 -0.13 -0.44 1.01 -0.59 -0.86 120.40 123.11 1n8j s VAL 123 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.72 1n8j s VAL 123 Cb -0.10 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1n8j s VAL 123 CO 0.01 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.61 1n8j s VAL 124 N 1.47 2.48 0.80 2.92 1.01 0.21 -0.23 120.40 129.06 1n8j s VAL 124 Ca 0.05 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1n8j s VAL 124 Cb -0.15 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.33 1n8j s VAL 124 CO 0.01 0.54 1.15 1.51 0.00 0.00 0.00 175.10 178.31 1n8j s ASP 125 N 0.51 4.28 0.59 3.32 1.47 -0.50 0.31 116.67 126.65 1n8j s ASP 125 Ca -0.12 0.48 0.30 0.00 1.18 0.00 0.00 52.55 54.39 1n8j s ASP 125 Cb -0.17 -0.92 1.35 0.00 -0.34 0.00 0.00 42.92 42.85 1n8j s ASP 125 CO 0.05 -1.99 1.72 -0.65 0.68 0.00 0.00 175.17 174.98 1n8j h PRO 126 N -1.01 0.00 -0.37 2.11 0.11 -1.64 0.30 132.00 131.50 1n8j h PRO 126 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n8j h PRO 126 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1n8j h PRO 126 CO 0.56 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.39 1n8j n GLN 127 N -3.64 2.02 -1.00 1.05 3.00 -1.26 -1.67 117.38 115.87 1n8j n GLN 127 Ca 0.15 -1.57 -0.00 0.00 -0.01 0.00 0.00 57.00 55.58 1n8j n GLN 127 Cb 1.00 -1.38 -0.00 0.00 0.00 0.00 0.00 30.24 29.86 1n8j n GLN 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n8j n GLY 128 N 1.23 0.48 3.72 1.08 0.00 0.11 -4.92 105.19 106.88 1n8j n GLY 128 Ca 0.16 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -1.99 5.13 -0.19 -0.61 -1.09 -1.25 -0.90 121.20 120.30 1n8j s ILE 129 Ca 0.00 1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 59.27 1n8j s ILE 129 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1n8j s ILE 129 CO 0.00 0.30 1.24 -0.63 -1.23 0.00 0.00 174.94 174.62 1n8j s ILE 130 N 0.65 4.32 -0.05 2.92 1.01 -0.39 -1.40 121.20 128.26 1n8j s ILE 130 Ca 0.30 1.59 0.19 0.00 0.00 0.00 0.00 60.65 62.73 1n8j s ILE 130 Cb -0.16 -4.05 -0.29 0.00 0.01 0.00 0.00 42.46 37.96 1n8j s ILE 130 CO 0.13 -0.17 0.37 0.00 0.00 0.00 0.00 174.94 175.28 1n8j n GLN 131 N 6.63 0.66 -3.70 2.79 1.13 0.69 0.11 117.38 125.69 1n8j n GLN 131 Ca 0.14 -0.15 -0.14 0.00 -1.94 0.00 0.00 57.00 54.90 1n8j n GLN 131 Cb 0.45 -1.46 -0.09 0.00 0.11 0.00 0.00 30.24 29.25 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -3.22 -1.14 -0.01 -1.58 0.00 -1.23 -4.90 121.76 109.69 1n8j s ALA 132 Ca -0.07 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.92 1n8j s ALA 132 Cb 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 1n8j s ALA 132 CO 0.80 -0.26 -0.05 0.42 0.00 0.00 0.00 175.76 176.68 1n8j s ILE 133 N -0.46 0.38 -0.03 0.00 1.01 -1.26 -1.54 121.20 119.30 1n8j s ILE 133 Ca -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1n8j s ILE 133 Cb -0.03 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.13 1n8j s ILE 133 CO 0.03 0.12 0.05 -0.70 0.00 0.00 0.00 174.94 174.44 1n8j s GLU 134 N -0.01 -0.03 -0.04 2.79 2.12 -0.72 -4.98 118.70 117.82 1n8j s GLU 134 Ca 0.01 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1n8j s GLU 134 Cb -0.03 -0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.07 1n8j s GLU 134 CO -0.00 -0.21 -0.07 0.08 -0.54 0.00 0.00 175.26 174.52 1n8j s VAL 135 N 1.37 0.70 0.17 3.70 1.01 -1.26 -0.27 120.40 125.82 1n8j s VAL 135 Ca -0.05 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1n8j s VAL 135 Cb -0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1n8j s VAL 135 CO -0.03 0.24 -0.16 0.42 0.00 0.00 0.00 175.10 175.57 1n8j s THR 136 N 0.58 1.70 0.94 3.92 -4.23 -0.20 -5.01 115.64 113.34 1n8j s THR 136 Ca -0.09 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1n8j s THR 136 Cb -0.12 -1.86 0.16 0.00 1.34 0.00 0.00 72.50 72.02 1n8j s THR 136 CO 0.01 -0.43 1.11 0.00 -0.54 0.00 0.00 174.62 174.76 1n8j s ALA 137 N -2.39 1.23 0.28 3.99 0.00 -1.26 -4.01 121.76 119.60 1n8j s ALA 137 Ca 0.17 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1n8j s ALA 137 Cb -0.04 -3.35 0.66 0.00 0.00 0.00 0.00 23.12 20.39 1n8j s ALA 137 CO 0.06 -2.76 1.63 1.49 0.00 0.00 0.00 175.76 176.18 1n8j h GLU 138 N -1.86 0.15 -0.21 0.00 4.57 -2.00 -1.79 114.58 113.44 1n8j h GLU 138 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1n8j h GLU 138 Cb 1.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1n8j h GLU 138 CO 0.46 0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.80 1n8j n GLY 139 N -1.40 0.45 3.25 1.92 0.00 -1.26 -4.81 105.19 103.34 1n8j n GLY 139 Ca 0.20 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1n8j n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 140 N -1.73 3.66 0.42 -0.61 1.01 -0.67 -5.09 121.20 118.19 1n8j s ILE 140 Ca 0.32 -1.25 -0.23 0.00 0.00 0.00 0.00 60.65 59.48 1n8j s ILE 140 Cb 0.17 -3.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.43 1n8j s ILE 140 CO 0.25 -0.23 1.05 -0.83 0.00 0.00 0.00 174.94 175.19 1n8j s GLY 141 N 1.47 2.69 0.81 6.18 0.00 -1.26 -4.55 107.32 112.66 1n8j s GLY 141 Ca -0.01 0.69 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1n8j s GLY 141 CO 0.02 1.10 1.16 0.50 0.00 0.00 0.00 173.10 175.88 1n8j s ARG 142 N -2.65 1.74 -0.17 2.90 0.52 -1.26 -5.09 118.95 114.94 1n8j s ARG 142 Ca 0.60 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1n8j s ARG 142 Cb -0.21 -2.00 0.04 0.00 0.52 0.00 0.00 34.95 33.30 1n8j s ARG 142 CO 0.26 -1.67 -0.10 0.34 0.02 0.00 0.00 175.30 174.15 1n8j s ASP 143 N -4.63 3.04 0.32 0.23 -1.08 -1.26 -4.92 116.67 108.36 1n8j s ASP 143 Ca 0.64 -0.71 0.01 0.00 -0.52 0.00 0.00 52.55 51.97 1n8j s ASP 143 Cb -0.09 -1.13 0.55 0.00 -1.46 0.00 0.00 42.92 40.78 1n8j s ASP 143 CO 0.49 -0.13 1.95 0.00 0.52 0.00 0.00 175.17 177.99 1n8j h ALA 144 N 8.03 1.52 -0.77 3.66 0.00 -1.93 -2.53 119.26 127.25 1n8j h ALA 144 Ca -0.30 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1n8j h ALA 144 Cb 1.11 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1n8j h ALA 144 CO 0.47 0.39 0.51 0.66 0.00 0.00 0.00 179.25 181.27 1n8j h SER 145 N 0.99 0.70 0.63 0.00 4.64 -1.95 -0.96 113.55 117.60 1n8j h SER 145 Ca 0.34 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.54 1n8j h SER 145 Cb 0.08 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1n8j h SER 145 CO -0.11 0.44 -0.59 -0.78 -0.87 0.00 0.00 176.83 174.93 1n8j h ASP 146 N 0.79 0.00 0.33 4.97 3.58 -1.90 -2.39 116.42 121.80 1n8j h ASP 146 Ca 0.34 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 1n8j h ASP 146 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1n8j h ASP 146 CO -0.12 0.59 -0.16 0.25 -2.88 0.00 0.00 179.24 176.92 1n8j h LEU 147 N 0.00 -0.37 -0.52 2.28 5.85 -1.18 -2.33 115.31 119.04 1n8j h LEU 147 Ca -0.01 -0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.77 1n8j h LEU 147 Cb 1.07 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1n8j h LEU 147 CO 0.08 -0.18 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.85 1n8j h LEU 148 N -0.54 -0.37 -0.22 2.25 3.38 -1.14 0.91 115.31 119.58 1n8j h LEU 148 Ca -0.05 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1n8j h LEU 148 Cb 0.40 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1n8j h LEU 148 CO 0.07 -0.13 -0.06 -0.09 0.09 0.00 0.00 178.44 178.32 1n8j h ARG 149 N 0.05 -0.01 -0.97 1.13 2.43 -1.33 0.12 114.38 115.80 1n8j h ARG 149 Ca 0.26 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1n8j h ARG 149 Cb 0.40 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.89 1n8j h ARG 149 CO -0.49 -0.01 0.63 0.87 -1.51 0.00 0.00 179.97 179.46 1n8j h LYS 150 N -0.01 1.17 -0.24 0.20 1.57 -0.69 0.43 116.57 119.00 1n8j h LYS 150 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1n8j h LYS 150 Cb 0.17 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1n8j h LYS 150 CO -0.23 0.77 0.10 0.82 -0.57 0.00 0.00 179.45 180.35 1n8j h ILE 151 N 1.20 1.16 -0.76 1.86 2.04 0.13 0.10 117.51 123.25 1n8j h ILE 151 Ca 0.39 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1n8j h ILE 151 Cb 0.03 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 1n8j h ILE 151 CO -0.13 0.16 0.42 0.11 0.00 0.00 0.00 178.15 178.71 1n8j h LYS 152 N 0.24 1.05 -0.43 2.37 1.57 -0.04 0.23 116.57 121.57 1n8j h LYS 152 Ca 0.08 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1n8j h LYS 152 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1n8j h LYS 152 CO -0.01 0.77 -0.11 0.00 -0.57 0.00 0.00 179.45 179.53 1n8j h ALA 153 N 1.40 0.59 -0.47 3.86 0.00 -0.63 0.26 119.26 124.26 1n8j h ALA 153 Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1n8j h ALA 153 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1n8j h ALA 153 CO -0.04 0.48 0.10 0.00 0.00 0.00 0.00 179.25 179.78 1n8j h ALA 154 N 0.86 1.29 -0.07 0.00 0.00 0.06 -1.19 119.26 120.21 1n8j h ALA 154 Ca 0.11 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1n8j h ALA 154 Cb 0.64 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1n8j h ALA 154 CO 0.04 0.50 -0.90 1.96 0.00 0.00 0.00 179.25 180.85 1n8j h GLN 155 N 0.70 0.66 -0.60 0.00 4.20 -0.25 -2.78 115.11 117.05 1n8j h GLN 155 Ca 0.15 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 1n8j h GLN 155 Cb 0.28 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1n8j h GLN 155 CO 0.00 1.23 0.22 -0.92 -0.67 0.00 0.00 178.83 178.69 1n8j h TYR 156 N 0.41 0.92 -0.56 2.96 3.20 -0.11 -1.42 116.97 122.37 1n8j h TYR 156 Ca -0.08 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.60 1n8j h TYR 156 Cb 1.53 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1n8j h TYR 156 CO 0.08 0.75 -0.07 -0.39 -1.64 0.00 0.00 178.16 176.89 1n8j h VAL 157 N 0.83 1.27 -0.74 1.81 -1.51 -1.27 -1.46 116.25 115.18 1n8j h VAL 157 Ca 0.20 -1.22 -0.00 0.00 -1.23 0.00 0.00 66.70 64.44 1n8j h VAL 157 Cb 0.23 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.25 1n8j h VAL 157 CO -0.01 0.44 0.45 0.00 -1.23 0.00 0.00 177.57 177.21 1n8j h ALA 158 N 0.98 1.40 -0.38 5.19 0.00 -1.22 -2.18 119.26 123.04 1n8j h ALA 158 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n8j h ALA 158 Cb 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1n8j h ALA 158 CO 0.04 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1n8j n ALA 159 N -2.43 2.45 -3.11 0.00 0.00 -0.56 -4.44 120.51 112.42 1n8j n ALA 159 Ca 0.08 -0.77 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1n8j n ALA 159 Cb 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N 0.81 -0.72 -1.60 0.00 -0.00 -0.57 -5.04 115.22 108.09 1n8j n HIS 160 Ca 0.16 -3.33 -0.50 0.00 -0.00 0.00 0.00 57.72 54.04 1n8j n HIS 160 Cb 0.41 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.31 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 1.11 1.32 -0.13 -0.41 -0.02 -1.24 -1.78 135.00 133.85 1n8j n PRO 161 Ca 0.20 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1n8j n PRO 161 Cb 0.58 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.56 0.60 3.52 -1.23 0.00 -1.26 -5.06 105.19 104.31 1n8j n GLY 162 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.80 1.86 0.07 1.61 2.02 -0.74 -3.81 118.70 118.91 1n8j s GLU 163 Ca 0.00 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 53.62 1n8j s GLU 163 Cb 0.00 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.17 1n8j s GLU 163 CO 0.00 0.41 -0.09 0.14 0.02 0.00 0.00 175.26 175.74 1n8j s VAL 164 N -1.78 0.72 -0.26 2.63 -7.23 -0.05 -4.85 120.40 109.57 1n8j s VAL 164 Ca 0.24 -1.42 -0.12 0.00 -1.81 0.00 0.00 61.98 58.87 1n8j s VAL 164 Cb -0.08 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 1n8j s VAL 164 CO 0.14 -0.52 0.23 0.00 -0.31 0.00 0.00 175.10 174.64 1n8j s PRO 166 N 1.57 0.43 0.41 0.00 0.02 -1.26 -4.91 135.00 131.27 1n8j s PRO 166 Ca 0.10 0.30 -0.25 0.00 0.02 0.00 0.00 61.00 61.17 1n8j s PRO 166 Cb -0.15 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 1n8j s PRO 166 CO 0.09 -2.68 1.15 0.00 -0.33 0.00 0.00 177.00 175.23 1n8j n ALA 167 N -4.10 0.77 -2.11 -1.55 0.00 -1.26 -2.29 120.51 109.96 1n8j n ALA 167 Ca 0.07 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1n8j n ALA 167 Cb 0.58 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 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 0.13 -1.30 -2.57 0.00 5.02 -1.26 -4.97 118.16 113.21 1n8j n LYS 168 Ca 0.08 0.88 -0.41 0.00 -2.02 0.00 0.00 58.31 56.84 1n8j n LYS 168 Cb 0.39 -5.26 -0.04 0.00 -0.02 0.00 0.00 35.03 30.10 1n8j n LYS 168 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1n8j s TRP 169 N -2.79 3.62 0.05 2.13 -0.00 -0.97 -5.04 118.94 115.94 1n8j s TRP 169 Ca 0.00 1.60 0.02 0.00 -0.00 0.00 0.00 56.10 57.71 1n8j s TRP 169 Cb 0.00 -3.23 -0.03 0.00 -0.00 0.00 0.00 33.47 30.21 1n8j s TRP 169 CO 0.00 -0.48 -0.07 0.15 -0.00 0.00 0.00 176.95 176.55 1n8j s LYS 170 N 0.21 0.55 -0.26 5.86 1.02 -1.26 -4.87 119.74 120.98 1n8j s LYS 170 Ca 0.51 -0.85 -0.40 0.00 0.02 0.00 0.00 55.97 55.25 1n8j s LYS 170 Cb -0.27 -0.19 -0.15 0.00 -0.52 0.00 0.00 37.83 36.69 1n8j s LYS 170 CO 0.32 0.02 1.75 0.39 -0.92 0.00 0.00 175.35 176.91 1n8j n GLU 171 N 1.18 1.23 0.00 1.68 1.02 -1.26 -1.55 120.64 122.94 1n8j n GLU 171 Ca -0.21 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1n8j n GLU 171 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 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 4.21 0.80 3.87 0.62 0.00 -1.26 -5.11 105.19 108.32 1n8j n GLY 172 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.44 2.88 0.48 1.61 2.02 -0.59 -5.08 118.70 119.58 1n8j s GLU 173 Ca 0.00 -1.16 -0.24 0.00 0.02 0.00 0.00 54.97 53.59 1n8j s GLU 173 Cb 0.00 -2.57 -0.07 0.00 0.10 0.00 0.00 34.13 31.59 1n8j s GLU 173 CO 0.00 0.19 1.39 0.00 0.02 0.00 0.00 175.26 176.86 1n8j s ALA 174 N -2.22 3.08 0.51 5.21 0.00 -1.26 -4.92 121.76 122.15 1n8j s ALA 174 Ca 0.39 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.76 1n8j s ALA 174 Cb -0.07 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1n8j s ALA 174 CO 0.27 -1.23 0.07 0.95 0.00 0.00 0.00 175.76 175.83 1n8j s THR 175 N -1.25 1.30 0.02 0.00 -4.23 -1.26 -4.62 115.64 105.59 1n8j s THR 175 Ca 0.65 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.33 1n8j s THR 175 Cb -0.42 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.19 1n8j s THR 175 CO 0.52 0.00 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.60 1n8j s LEU 176 N -3.94 2.25 -0.73 4.79 1.43 -0.64 -4.97 118.68 116.87 1n8j s LEU 176 Ca 0.12 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1n8j s LEU 176 Cb 0.01 -1.36 0.18 0.00 0.03 0.00 0.00 46.19 45.05 1n8j s LEU 176 CO 0.07 0.28 0.54 0.00 0.23 0.00 0.00 176.35 177.47 1n8j s ALA 177 N -0.77 3.87 0.05 4.21 0.00 -1.26 -0.88 121.76 126.99 1n8j s ALA 177 Ca 0.12 -3.76 -0.30 0.00 0.00 0.00 0.00 51.96 48.02 1n8j s ALA 177 Cb -0.10 -2.37 -0.16 0.00 0.00 0.00 0.00 23.12 20.49 1n8j s ALA 177 CO 0.02 -2.10 0.76 -2.30 0.00 0.00 0.00 175.76 172.13 1n8j n PRO 178 N 2.26 0.00 -3.48 0.00 -0.02 -1.25 -4.97 135.00 127.54 1n8j n PRO 178 Ca 0.18 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1n8j n PRO 178 Cb 0.35 -1.13 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.24 -0.48 0.26 2.55 1.04 -1.26 -5.04 113.70 110.52 1n8j s SER 179 Ca 0.69 -0.05 -0.05 0.00 0.48 0.00 0.00 55.95 57.02 1n8j s SER 179 Cb -0.98 0.54 0.28 0.00 0.10 0.00 0.00 66.02 65.97 1n8j s SER 179 CO 0.47 -0.89 1.92 0.25 0.98 0.00 0.00 173.24 175.97 1n8j h LEU 180 N 2.00 1.11 -1.70 2.42 5.85 -1.98 -2.37 115.31 120.63 1n8j h LEU 180 Ca -0.29 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1n8j h LEU 180 Cb 1.28 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1n8j h LEU 180 CO 0.35 0.83 0.08 -0.78 -0.34 0.00 0.00 178.44 178.58 1n8j h ASP 181 N 1.29 0.25 1.65 1.25 1.82 -1.98 -2.41 116.42 118.29 1n8j h ASP 181 Ca 0.34 -0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.96 1n8j h ASP 181 Cb -0.10 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 39.85 1n8j h ASP 181 CO -0.07 0.23 -0.02 -0.07 -1.61 0.00 0.00 179.24 177.69 1n8j h LEU 182 N 0.28 0.00 -9.18 2.28 3.38 -1.81 -3.43 115.31 106.84 1n8j h LEU 182 Ca 0.07 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.40 1n8j h LEU 182 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1n8j h LEU 182 CO -0.01 0.02 1.11 0.52 0.09 0.00 0.00 178.44 180.18 1n8j n VAL 183 N -3.11 0.50 0.00 1.22 0.31 -0.91 -0.52 118.33 115.82 1n8j n VAL 183 Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1n8j n VAL 183 Cb 0.46 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 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 4.62 2.44 0.08 2.92 0.00 -1.26 -4.92 105.19 109.07 1n8j n GLY 184 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 2.32 -0.07 0.00 1.61 1.57 -1.07 -3.55 116.57 117.37 1n8j h LYS 185 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1n8j h LYS 185 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1n8j h LYS 185 CO 0.00 0.49 0.00 -0.89 -0.57 0.00 0.00 179.45 178.48