#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 1.52 -4.68 2.46 4.77 -1.26 -4.92 117.00 114.90 1n8j n LEU 2 Ca 0.00 -0.61 -0.43 0.00 -0.03 0.00 0.00 56.01 54.94 1n8j n LEU 2 Cb 0.00 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1n8j n LEU 2 CO 0.00 0.31 0.86 0.00 -1.33 0.00 0.00 177.39 177.23 1n8j n ILE 3 N 0.22 1.82 -2.39 -0.08 0.13 -1.26 -1.87 119.36 115.93 1n8j n ILE 3 Ca 0.17 -0.45 -0.20 0.00 -1.10 0.00 0.00 62.75 61.16 1n8j n ILE 3 Cb 0.32 -1.46 -0.01 0.00 -0.84 0.00 0.00 39.64 37.65 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 1.08 -5.83 -4.44 9.51 4.05 0.24 -4.97 115.26 114.91 1n8j n ASN 4 Ca 0.07 -0.02 -0.23 0.00 0.45 0.00 0.00 54.58 54.85 1n8j n ASN 4 Cb 0.35 -4.84 -0.10 0.00 1.23 0.00 0.00 39.78 36.41 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 -3.02 2.33 0.18 -0.44 -4.23 -0.78 -4.84 115.64 104.83 1n8j s THR 5 Ca 0.00 -2.31 -0.22 0.00 -1.18 0.00 0.00 61.69 57.97 1n8j s THR 5 Cb 0.00 -2.22 -0.08 0.00 1.34 0.00 0.00 72.50 71.54 1n8j s THR 5 CO 0.00 -0.39 0.73 -0.75 -0.54 0.00 0.00 174.62 173.67 1n8j s LYS 6 N -3.40 4.40 0.61 3.99 2.20 -1.26 -1.16 119.74 125.12 1n8j s LYS 6 Ca 0.27 0.99 -0.17 0.00 -0.36 0.00 0.00 55.97 56.70 1n8j s LYS 6 Cb -0.05 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.14 1n8j s LYS 6 CO 0.13 0.51 1.15 0.96 -0.36 0.00 0.00 175.35 177.74 1n8j s ILE 7 N -1.29 3.00 0.41 5.43 -4.36 0.26 -4.96 121.20 119.69 1n8j s ILE 7 Ca 0.38 0.55 -0.08 0.00 -0.26 0.00 0.00 60.65 61.23 1n8j s ILE 7 Cb -0.20 -3.14 -0.05 0.00 1.25 0.00 0.00 42.46 40.32 1n8j s ILE 7 CO 0.23 -0.20 0.75 -0.54 0.24 0.00 0.00 174.94 175.42 1n8j s LYS 8 N -3.64 3.69 0.70 0.37 1.02 -1.26 -5.05 119.74 115.57 1n8j s LYS 8 Ca 0.72 0.33 -0.14 0.00 0.02 0.00 0.00 55.97 56.90 1n8j s LYS 8 Cb -0.24 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1n8j s LYS 8 CO 0.35 -0.05 1.14 -1.25 -0.92 0.00 0.00 175.35 174.61 1n8j s PRO 9 N -4.07 2.51 0.10 -1.68 0.04 -1.26 -4.84 135.00 125.78 1n8j s PRO 9 Ca 0.49 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1n8j s PRO 9 Cb -0.10 -1.91 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1n8j s PRO 9 CO 0.35 -1.50 0.70 -0.59 0.04 0.00 0.00 177.00 176.01 1n8j s PHE 10 N -2.29 -0.47 -0.07 0.56 -0.12 -1.26 -4.98 117.98 109.35 1n8j s PHE 10 Ca 0.69 0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 57.85 1n8j s PHE 10 Cb -0.23 0.55 0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1n8j s PHE 10 CO 0.44 -0.74 0.10 0.21 -0.05 0.00 0.00 175.22 175.18 1n8j s LYS 11 N -3.46 -0.03 0.03 1.99 2.20 -1.26 -3.30 119.74 115.91 1n8j s LYS 11 Ca 0.02 0.40 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1n8j s LYS 11 Cb -0.01 -0.56 -0.02 0.00 -1.51 0.00 0.00 37.83 35.73 1n8j s LYS 11 CO -0.11 -0.36 0.02 -0.80 -0.36 0.00 0.00 175.35 173.74 1n8j s ASN 12 N 2.21 0.24 0.24 1.43 -0.87 -0.55 -5.00 114.94 112.64 1n8j s ASN 12 Ca 0.04 -0.54 -0.16 0.00 -1.57 0.00 0.00 52.86 50.63 1n8j s ASN 12 Cb -0.12 0.15 -0.08 0.00 -0.02 0.00 0.00 41.25 41.18 1n8j s ASN 12 CO -0.05 -0.39 0.66 -1.10 -2.57 0.00 0.00 177.10 173.65 1n8j s GLN 13 N -2.04 4.05 0.07 -0.60 -1.52 -1.26 -1.02 119.66 117.34 1n8j s GLN 13 Ca -0.10 0.64 -0.09 0.00 -1.95 0.00 0.00 55.36 53.85 1n8j s GLN 13 Cb -0.05 -2.71 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 1n8j s GLN 13 CO -0.03 0.33 0.20 0.00 -0.25 0.00 0.00 175.29 175.54 1n8j s ALA 14 N -1.70 -0.31 -0.23 6.09 0.00 -0.07 -1.41 121.76 124.13 1n8j s ALA 14 Ca 0.46 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1n8j s ALA 14 Cb -0.13 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1n8j s ALA 14 CO 0.19 -0.44 0.04 0.12 0.00 0.00 0.00 175.76 175.67 1n8j s PHE 15 N -3.25 3.06 -0.13 0.00 5.36 -0.52 -0.30 117.98 122.20 1n8j s PHE 15 Ca 0.00 -0.48 -0.03 0.00 -0.96 0.00 0.00 56.93 55.46 1n8j s PHE 15 Cb 0.02 -2.18 0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1n8j s PHE 15 CO -0.08 -0.34 0.05 0.21 -1.46 0.00 0.00 175.22 173.61 1n8j s LYS 16 N 1.39 0.31 -0.82 10.12 2.20 0.78 -1.51 119.74 132.21 1n8j s LYS 16 Ca 0.05 -0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.61 1n8j s LYS 16 Cb -0.15 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1n8j s LYS 16 CO 0.02 -0.52 0.62 0.09 -0.36 0.00 0.00 175.35 175.20 1n8j n ASN 17 N 5.19 -5.27 0.00 1.43 3.02 -1.26 -2.20 115.26 116.17 1n8j n ASN 17 Ca -0.07 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1n8j n ASN 17 Cb 0.49 -2.22 0.00 0.00 -0.61 0.00 0.00 39.78 37.44 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 -1.68 0.42 3.12 7.41 0.00 -1.26 -5.00 105.19 108.20 1n8j n GLY 18 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.64 0.48 0.06 1.61 -1.05 -0.94 -5.14 118.70 113.09 1n8j s GLU 19 Ca 0.00 -0.31 -0.20 0.00 -0.15 0.00 0.00 54.97 54.31 1n8j s GLU 19 Cb 0.00 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.83 1n8j s GLU 19 CO 0.00 -0.11 0.60 -0.06 0.95 0.00 0.00 175.26 176.64 1n8j s PHE 20 N -1.22 3.78 0.35 4.83 0.08 -1.26 -0.16 117.98 124.39 1n8j s PHE 20 Ca -0.13 1.30 0.07 0.00 0.12 0.00 0.00 56.93 58.29 1n8j s PHE 20 Cb -0.07 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1n8j s PHE 20 CO 0.02 0.51 0.26 0.44 -0.10 0.00 0.00 175.22 176.34 1n8j n ILE 21 N 2.02 0.00 -5.04 0.64 -5.35 0.59 -4.95 119.36 107.26 1n8j n ILE 21 Ca -0.09 -2.45 -0.30 0.00 -0.27 0.00 0.00 62.75 59.65 1n8j n ILE 21 Cb 0.51 1.15 -0.17 0.00 -1.74 0.00 0.00 39.64 39.39 1n8j n ILE 21 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1n8j s GLU 22 N -3.41 2.63 -0.05 6.28 2.12 -1.26 -0.89 118.70 124.12 1n8j s GLU 22 Ca 0.36 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.99 1n8j s GLU 22 Cb 0.02 -2.04 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1n8j s GLU 22 CO 0.26 0.15 -0.19 0.08 -0.54 0.00 0.00 175.26 175.02 1n8j s VAL 23 N 0.39 2.63 0.27 3.70 1.01 -0.19 -4.97 120.40 123.24 1n8j s VAL 23 Ca -0.17 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 60.96 1n8j s VAL 23 Cb -0.17 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1n8j s VAL 23 CO 0.07 0.58 0.14 0.42 0.00 0.00 0.00 175.10 176.31 1n8j s THR 24 N -0.47 0.28 0.60 3.92 -4.23 -1.26 -1.48 115.64 113.00 1n8j s THR 24 Ca 0.06 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.87 1n8j s THR 24 Cb -0.12 -2.54 0.36 0.00 1.34 0.00 0.00 72.50 71.55 1n8j s THR 24 CO 0.01 0.00 2.21 1.05 -0.54 0.00 0.00 174.62 177.35 1n8j h GLU 25 N 2.36 0.00 -0.89 3.99 9.09 -1.88 -0.74 114.58 126.51 1n8j h GLU 25 Ca -0.35 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.14 1n8j h GLU 25 Cb 1.25 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.28 1n8j h GLU 25 CO 0.54 0.00 0.55 0.87 0.05 0.00 0.00 179.01 181.02 1n8j h LYS 26 N 0.00 0.95 0.00 1.06 6.56 -1.95 -0.91 116.57 122.28 1n8j h LYS 26 Ca 0.03 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1n8j h LYS 26 Cb 0.18 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 1n8j h LYS 26 CO -0.00 0.63 0.00 -0.44 -2.06 0.00 0.00 179.45 177.58 1n8j h ASP 27 N 0.97 0.00 0.29 0.86 3.32 -1.53 -2.57 116.42 117.76 1n8j h ASP 27 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1n8j h ASP 27 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1n8j h ASP 27 CO -0.20 0.00 -1.55 0.35 -1.72 0.00 0.00 179.24 176.12 1n8j n THR 28 N -3.07 0.16 -1.71 0.35 -2.24 -0.39 -4.84 114.28 102.54 1n8j n THR 28 Ca -0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1n8j n THR 28 Cb 0.16 0.04 -0.03 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 -2.24 2.74 -0.67 -0.78 1.02 -0.94 -1.67 120.64 118.10 1n8j n GLU 29 Ca -0.02 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 1n8j n GLU 29 Cb 0.53 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 3.99 1.12 3.32 0.62 0.00 -0.39 -5.03 105.19 108.82 1n8j n GLY 30 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.21 1.27 0.06 1.61 0.52 -0.67 -4.81 118.95 116.71 1n8j s ARG 31 Ca 0.00 -1.57 -0.24 0.00 -0.52 0.00 0.00 55.73 53.40 1n8j s ARG 31 Cb 0.00 -0.94 -0.06 0.00 0.52 0.00 0.00 34.95 34.47 1n8j s ARG 31 CO 0.00 0.12 0.72 -1.58 0.02 0.00 0.00 175.30 174.58 1n8j s TRP 32 N -3.11 3.76 0.02 -0.53 0.52 -1.04 -2.77 118.94 115.79 1n8j s TRP 32 Ca 0.22 1.42 0.04 0.00 0.02 0.00 0.00 56.10 57.80 1n8j s TRP 32 Cb 0.01 -2.74 -0.02 0.00 -1.15 0.00 0.00 33.47 29.57 1n8j s TRP 32 CO 0.05 0.35 -0.13 -1.12 0.02 0.00 0.00 176.95 176.13 1n8j s SER 33 N -0.34 1.49 -0.16 2.95 0.01 0.12 -0.60 113.70 117.17 1n8j s SER 33 Ca 0.36 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1n8j s SER 33 Cb -0.20 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 65.93 1n8j s SER 33 CO 0.22 0.06 -0.21 -0.69 0.41 0.00 0.00 173.24 173.03 1n8j s VAL 34 N -0.64 2.06 -0.30 3.43 1.01 0.24 0.51 120.40 126.72 1n8j s VAL 34 Ca 0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1n8j s VAL 34 Cb -0.07 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 1n8j s VAL 34 CO 0.01 0.54 0.14 -0.36 0.00 0.00 0.00 175.10 175.43 1n8j s PHE 35 N 1.10 3.16 -0.47 5.22 0.40 -0.23 -0.73 117.98 126.43 1n8j s PHE 35 Ca 0.00 -0.52 -0.08 0.00 -0.60 0.00 0.00 56.93 55.73 1n8j s PHE 35 Cb -0.14 -2.33 0.12 0.00 0.51 0.00 0.00 43.02 41.18 1n8j s PHE 35 CO -0.08 -0.42 0.33 0.12 0.70 0.00 0.00 175.22 175.86 1n8j s PHE 36 N 1.62 3.46 0.07 0.36 5.36 0.58 -1.43 117.98 127.99 1n8j s PHE 36 Ca 0.05 -1.98 -0.20 0.00 -0.96 0.00 0.00 56.93 53.84 1n8j s PHE 36 Cb -0.17 -3.46 -0.07 0.00 -0.34 0.00 0.00 43.02 38.99 1n8j s PHE 36 CO 0.06 -0.99 0.59 -0.06 -1.46 0.00 0.00 175.22 173.36 1n8j s PHE 37 N 1.28 3.80 0.02 10.12 0.40 0.67 -0.33 117.98 133.94 1n8j s PHE 37 Ca 0.07 1.29 -0.01 0.00 -0.60 0.00 0.00 56.93 57.67 1n8j s PHE 37 Cb -0.25 -2.53 -0.02 0.00 0.51 0.00 0.00 43.02 40.72 1n8j s PHE 37 CO -0.01 0.55 -0.01 1.52 0.70 0.00 0.00 175.22 177.97 1n8j s TYR 38 N -0.97 0.28 0.09 0.36 -0.85 -0.51 -2.49 117.35 113.26 1n8j s TYR 38 Ca 0.30 -0.58 -0.36 0.00 -0.52 0.00 0.00 57.07 55.92 1n8j s TYR 38 Cb -0.20 -0.20 -0.17 0.00 0.38 0.00 0.00 41.96 41.77 1n8j s TYR 38 CO 0.19 -0.24 1.55 -1.35 -1.52 0.00 0.00 175.55 174.18 1n8j h PRO 39 N 4.31 -0.94 -2.30 -3.49 0.11 -1.77 -3.39 132.00 124.53 1n8j h PRO 39 Ca -0.32 0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1n8j h PRO 39 Cb 1.20 0.21 -0.17 0.00 0.11 0.00 0.00 31.00 32.35 1n8j h PRO 39 CO 0.46 -0.63 0.20 0.00 -0.21 0.00 0.00 178.00 177.82 1n8j s ALA 40 N -5.82 -1.72 0.91 -0.75 0.00 -1.26 -4.21 121.76 108.91 1n8j s ALA 40 Ca -0.18 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1n8j s ALA 40 Cb 0.04 0.27 0.13 0.00 0.00 0.00 0.00 23.12 23.57 1n8j s ALA 40 CO 0.60 -0.49 1.09 -0.51 0.00 0.00 0.00 175.76 176.45 1n8j s ASP 41 N -1.66 3.32 -1.52 0.00 1.11 -1.26 -3.57 116.67 113.09 1n8j s ASP 41 Ca -0.07 1.63 0.00 0.00 0.18 0.00 0.00 52.55 54.29 1n8j s ASP 41 Cb -0.00 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.70 1n8j s ASP 41 CO 0.03 -2.76 0.00 0.49 1.18 0.00 0.00 175.17 174.11 1n8j n PHE 42 N -3.97 -1.05 -1.70 4.23 3.01 -1.26 -4.97 117.46 111.75 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 0.54 -3.39 0.00 0.00 -0.01 0.00 0.00 39.48 36.62 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 -3.52 0.00 -0.06 4.37 -2.24 -1.23 -5.11 114.28 106.49 1n8j n THR 43 Ca -0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1n8j n THR 43 Cb 0.64 -0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.01 4.78 3.72 -1.26 -4.62 117.46 120.07 1n8j n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1n8j n PHE 44 Cb 0.00 -0.43 -0.10 0.00 -0.94 0.00 0.00 39.48 38.01 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 -0.59 1.35 -0.91 -4.37 2.07 -1.97 -3.33 116.25 108.50 1n8j h VAL 45 Ca -0.20 -1.39 0.24 0.00 0.82 0.00 0.00 66.70 66.17 1n8j h VAL 45 Cb 0.96 2.25 -0.16 0.00 -1.52 0.00 0.00 31.29 32.82 1n8j h VAL 45 CO -0.12 0.34 0.04 0.28 0.02 0.00 0.00 177.57 178.13 1n8j h SER 46 N -0.68 -0.40 -0.30 0.57 0.02 -1.90 -0.68 113.55 110.18 1n8j h SER 46 Ca -0.01 0.25 0.07 0.00 -0.84 0.00 0.00 61.79 61.26 1n8j h SER 46 Cb 0.60 0.42 -0.08 0.00 0.14 0.00 0.00 62.40 63.49 1n8j h SER 46 CO 0.01 -0.28 -0.30 -0.65 -1.14 0.00 0.00 176.83 174.46 1n8j h PRO 47 N 0.06 -0.27 -0.83 3.45 0.11 -1.82 0.12 132.00 132.81 1n8j h PRO 47 Ca 0.54 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.65 1n8j h PRO 47 Cb 1.05 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1n8j h PRO 47 CO -0.82 -0.18 0.47 1.79 -0.21 0.00 0.00 178.00 179.05 1n8j h THR 48 N -0.28 1.24 -0.45 -1.15 1.35 -1.29 -0.24 112.91 112.09 1n8j h THR 48 Ca 0.15 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.38 1n8j h THR 48 Cb 0.52 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.03 1n8j h THR 48 CO -0.46 0.26 0.06 -0.33 -0.25 0.00 0.00 175.52 174.80 1n8j h GLU 49 N 1.15 0.74 -0.54 4.72 5.08 -0.81 0.04 114.58 124.97 1n8j h GLU 49 Ca 0.29 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1n8j h GLU 49 Cb 0.00 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1n8j h GLU 49 CO -0.05 0.77 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.61 1n8j h LEU 50 N 0.60 0.97 -0.46 1.33 3.38 -0.42 -2.35 115.31 118.37 1n8j h LEU 50 Ca 0.13 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 1n8j h LEU 50 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1n8j h LEU 50 CO 0.01 1.05 -0.27 1.23 0.09 0.00 0.00 178.44 180.56 1n8j h GLY 51 N 0.97 1.07 0.56 0.83 0.00 -0.91 -1.69 103.07 103.90 1n8j h GLY 51 Ca 0.15 -0.99 0.08 0.00 0.00 0.00 0.00 47.33 46.56 1n8j h GLY 51 CO 0.04 0.90 0.34 -1.80 0.00 0.00 0.00 176.54 176.02 1n8j h ASP 52 N 0.83 0.46 -0.52 0.19 -0.00 -0.80 0.56 116.42 117.15 1n8j h ASP 52 Ca 0.10 0.05 -0.08 0.00 -0.00 0.00 0.00 57.03 57.09 1n8j h ASP 52 Cb 0.85 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 40.13 1n8j h ASP 52 CO 0.08 0.28 0.01 0.58 -0.00 0.00 0.00 179.24 180.19 1n8j h VAL 53 N 0.60 1.26 -0.46 2.25 2.07 -1.20 -2.36 116.25 118.41 1n8j h VAL 53 Ca 0.32 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1n8j h VAL 53 Cb 0.28 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1n8j h VAL 53 CO -0.23 0.39 0.11 0.00 0.02 0.00 0.00 177.57 177.86 1n8j h ALA 54 N 1.12 1.33 0.00 1.67 0.00 -0.24 -0.81 119.26 122.33 1n8j h ALA 54 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 54 Cb 0.50 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1n8j h ALA 54 CO 0.02 0.48 0.00 -0.44 0.00 0.00 0.00 179.25 179.31 1n8j h ASP 55 N 0.67 0.00 -0.21 0.00 3.32 -0.39 -1.41 116.42 118.39 1n8j h ASP 55 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1n8j h ASP 55 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1n8j h ASP 55 CO -0.00 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1n8j n HIS 56 N -2.30 0.30 -0.07 4.55 8.25 -0.35 -4.75 115.22 120.86 1n8j n HIS 56 Ca -0.00 -0.52 -0.09 0.00 -0.26 0.00 0.00 57.72 56.85 1n8j n HIS 56 Cb 0.10 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 1.25 0.29 -0.00 4.41 3.20 -0.84 -0.42 116.97 124.86 1n8j h TYR 57 Ca 0.00 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.91 1n8j h TYR 57 Cb 0.67 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.79 1n8j h TYR 57 CO 0.15 0.17 -0.47 0.93 -1.64 0.00 0.00 178.16 177.30 1n8j h GLU 58 N 0.32 -0.60 -0.21 1.82 4.39 -1.85 0.41 114.58 118.85 1n8j h GLU 58 Ca 0.10 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.90 1n8j h GLU 58 Cb -0.00 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1n8j h GLU 58 CO -0.05 -0.40 -0.29 1.49 -1.16 0.00 0.00 179.01 178.60 1n8j h GLU 59 N -0.62 -0.31 -0.47 2.33 4.81 -1.86 0.12 114.58 118.57 1n8j h GLU 59 Ca 0.03 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1n8j h GLU 59 Cb 0.69 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.09 1n8j h GLU 59 CO -0.34 -0.21 0.18 -0.07 -0.73 0.00 0.00 179.01 177.85 1n8j h LEU 60 N -0.32 0.21 -0.18 1.64 3.38 -0.44 -1.88 115.31 117.71 1n8j h LEU 60 Ca 0.12 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1n8j h LEU 60 Cb 0.52 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1n8j h LEU 60 CO -0.40 0.15 0.10 1.56 0.09 0.00 0.00 178.44 179.94 1n8j h GLN 61 N 0.37 0.20 0.00 1.13 1.08 0.53 -0.12 115.11 118.30 1n8j h GLN 61 Ca 0.22 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1n8j h GLN 61 Cb 0.21 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1n8j h GLN 61 CO -0.21 0.14 0.10 0.87 -0.95 0.00 0.00 178.83 178.78 1n8j h LYS 62 N 0.21 0.00 -0.03 1.46 1.57 -0.15 0.19 116.57 119.82 1n8j h LYS 62 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1n8j h LYS 62 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n8j h LYS 62 CO -0.04 0.00 -0.01 1.28 -0.57 0.00 0.00 179.45 180.11 1n8j n LEU 63 N -2.51 2.88 -0.09 2.94 4.77 -0.20 -4.95 117.00 119.85 1n8j n LEU 63 Ca -0.02 -0.96 -0.01 0.00 -0.03 0.00 0.00 56.01 54.99 1n8j n LEU 63 Cb 0.15 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1n8j n LEU 63 CO 0.12 0.48 -0.01 0.61 -1.33 0.00 0.00 177.39 177.26 1n8j n GLY 64 N 1.34 0.39 3.47 -0.72 0.00 0.67 -4.96 105.19 105.37 1n8j n GLY 64 Ca 0.14 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.04 3.99 0.12 1.61 1.01 -0.40 -2.49 120.40 122.19 1n8j s VAL 65 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1n8j s VAL 65 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 1n8j s VAL 65 CO 0.00 0.44 0.22 -1.81 0.00 0.00 0.00 175.10 173.95 1n8j s ASP 66 N 0.86 6.14 -0.05 3.32 1.01 0.23 -3.85 116.67 124.34 1n8j s ASP 66 Ca 0.01 0.14 0.05 0.00 0.71 0.00 0.00 52.55 53.46 1n8j s ASP 66 Cb -0.14 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 41.97 1n8j s ASP 66 CO 0.02 0.10 -0.20 -0.69 0.21 0.00 0.00 175.17 174.61 1n8j s VAL 67 N -1.63 1.68 -0.17 -1.27 1.01 -1.26 -0.59 120.40 118.17 1n8j s VAL 67 Ca 0.34 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1n8j s VAL 67 Cb -0.12 -1.43 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1n8j s VAL 67 CO 0.27 0.48 -0.02 -0.31 0.00 0.00 0.00 175.10 175.51 1n8j s TYR 68 N -0.08 1.45 0.21 5.22 1.51 0.09 -3.13 117.35 122.62 1n8j s TYR 68 Ca -0.03 -0.97 -0.16 0.00 -1.01 0.00 0.00 57.07 54.91 1n8j s TYR 68 Cb -0.12 -1.20 -0.08 0.00 -0.11 0.00 0.00 41.96 40.46 1n8j s TYR 68 CO 0.02 -0.59 0.64 -1.54 -1.11 0.00 0.00 175.55 172.97 1n8j s SER 69 N 1.72 6.87 -0.00 2.29 1.04 -0.45 -0.31 113.70 124.86 1n8j s SER 69 Ca 0.00 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1n8j s SER 69 Cb -0.16 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1n8j s SER 69 CO -0.07 0.01 0.00 -0.69 0.98 0.00 0.00 173.24 173.48 1n8j s VAL 70 N -1.60 -0.00 0.14 5.02 1.01 0.55 -0.53 120.40 124.98 1n8j s VAL 70 Ca 0.43 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 1n8j s VAL 70 Cb -0.14 -0.03 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1n8j s VAL 70 CO 0.20 0.02 0.37 -0.94 0.00 0.00 0.00 175.10 174.74 1n8j s SER 71 N 0.20 -0.14 0.00 3.32 1.04 -1.21 -1.42 113.70 115.49 1n8j s SER 71 Ca -0.02 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1n8j s SER 71 Cb -0.03 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1n8j s SER 71 CO -0.01 -0.87 0.58 0.35 0.98 0.00 0.00 173.24 174.28 1n8j n THR 72 N -0.21 0.00 -2.59 2.02 -2.24 -1.26 -1.63 114.28 108.36 1n8j n THR 72 Ca -0.14 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.38 1n8j n THR 72 Cb 0.63 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.20 6.01 0.69 3.42 1.01 -1.26 -3.64 116.67 122.70 1n8j s ASP 73 Ca 0.00 0.81 -0.10 0.00 0.71 0.00 0.00 52.55 53.96 1n8j s ASP 73 Cb 0.00 -2.02 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1n8j s ASP 73 CO 0.00 -0.74 1.07 0.42 0.21 0.00 0.00 175.17 176.12 1n8j s THR 74 N -2.81 3.45 0.32 -1.27 -4.23 -1.26 -2.38 115.64 107.46 1n8j s THR 74 Ca 0.49 0.38 0.31 0.00 -1.18 0.00 0.00 61.69 61.69 1n8j s THR 74 Cb -0.10 -3.45 0.34 0.00 1.34 0.00 0.00 72.50 70.62 1n8j s THR 74 CO 0.44 -0.57 2.06 1.12 -0.54 0.00 0.00 174.62 177.13 1n8j h HIS 75 N -0.59 0.00 -0.45 3.99 2.07 -1.89 -2.41 115.15 115.87 1n8j h HIS 75 Ca -0.45 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.04 1n8j h HIS 75 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 1n8j h HIS 75 CO 0.49 0.08 0.15 0.74 -3.07 0.00 0.00 177.93 176.32 1n8j h PHE 76 N 0.00 0.72 -0.63 6.12 0.05 -1.97 -1.90 116.94 119.33 1n8j h PHE 76 Ca -0.00 -0.07 -0.03 0.00 3.82 0.00 0.00 57.97 61.69 1n8j h PHE 76 Cb 0.40 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 1n8j h PHE 76 CO 0.00 0.64 0.26 1.15 -0.18 0.00 0.00 178.31 180.17 1n8j h THR 77 N 0.59 1.23 -0.45 -1.55 2.02 -1.81 -2.12 112.91 110.82 1n8j h THR 77 Ca 0.15 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1n8j h THR 77 Cb 0.25 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1n8j h THR 77 CO -0.01 0.28 0.24 0.45 0.37 0.00 0.00 175.52 176.86 1n8j h HIS 78 N 0.87 0.45 -0.05 3.16 3.86 -1.28 0.63 115.15 122.79 1n8j h HIS 78 Ca 0.21 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 1n8j h HIS 78 Cb 0.19 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 1n8j h HIS 78 CO 0.01 0.24 -0.20 -0.22 0.86 0.00 0.00 177.93 178.62 1n8j h LYS 79 N 0.49 -0.29 -0.45 2.45 3.64 -1.05 0.22 116.57 121.58 1n8j h LYS 79 Ca 0.19 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1n8j h LYS 79 Cb 0.06 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1n8j h LYS 79 CO -0.11 -0.19 0.30 0.00 -2.27 0.00 0.00 179.45 177.18 1n8j h ALA 80 N 0.64 1.78 -0.10 5.00 0.00 -0.86 -1.28 119.26 124.44 1n8j h ALA 80 Ca 0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 80 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n8j h ALA 80 CO -0.23 0.18 -0.72 2.35 0.00 0.00 0.00 179.25 180.83 1n8j h TRP 81 N 0.52 0.64 0.00 0.00 7.01 0.12 -2.69 115.95 121.55 1n8j h TRP 81 Ca 0.18 -0.28 0.00 0.00 2.11 0.00 0.00 58.89 60.90 1n8j h TRP 81 Cb 0.07 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.03 1n8j h TRP 81 CO -0.00 1.05 0.00 1.58 -2.79 0.00 0.00 178.44 178.28 1n8j n HIS 82 N -3.86 0.00 0.27 2.65 -0.00 0.68 -2.67 115.22 112.29 1n8j n HIS 82 Ca -0.05 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.17 1n8j n HIS 82 Cb 0.71 -0.39 -0.05 0.00 -0.12 0.00 0.00 29.99 30.13 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 -1.39 1.13 -0.32 0.26 7.64 -0.99 -3.99 113.62 115.95 1n8j n SER 83 Ca 0.05 -0.50 0.03 0.00 1.01 0.00 0.00 58.87 59.46 1n8j n SER 83 Cb 0.13 1.10 0.09 0.00 -1.01 0.00 0.00 64.21 64.52 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 -1.35 2.52 -3.77 6.43 3.41 -1.04 -4.96 113.62 114.86 1n8j n SER 84 Ca 0.01 -2.14 -0.21 0.00 -0.26 0.00 0.00 58.87 56.26 1n8j n SER 84 Cb 0.15 -0.16 -0.17 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.19 1.26 0.22 4.04 0.15 -1.14 -5.02 113.70 112.02 1n8j s SER 85 Ca 0.14 -0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 1n8j s SER 85 Cb 0.09 -0.34 0.30 0.00 -1.71 0.00 0.00 66.02 64.35 1n8j s SER 85 CO 0.07 -0.18 1.81 -0.33 1.20 0.00 0.00 173.24 175.81 1n8j h GLU 86 N 8.10 0.69 -0.01 5.44 4.39 -1.93 -0.44 114.58 130.82 1n8j h GLU 86 Ca -0.23 -0.04 -0.20 0.00 0.34 0.00 0.00 59.36 59.23 1n8j h GLU 86 Cb 1.13 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1n8j h GLU 86 CO 0.29 0.46 -0.86 0.00 -1.16 0.00 0.00 179.01 177.73 1n8j h THR 87 N 0.71 1.44 0.00 1.13 1.03 -1.96 -3.12 112.91 112.13 1n8j h THR 87 Ca 0.33 -2.45 -0.12 0.00 -0.01 0.00 0.00 66.41 64.17 1n8j h THR 87 Cb 0.26 2.37 -0.02 0.00 -1.07 0.00 0.00 68.15 69.69 1n8j h THR 87 CO -0.21 0.72 -0.55 0.40 -0.01 0.00 0.00 175.52 175.87 1n8j h ILE 88 N 0.18 1.26 0.00 0.00 1.08 -1.79 -2.97 117.51 115.28 1n8j h ILE 88 Ca -0.05 -1.99 -0.01 0.00 -0.39 0.00 0.00 64.86 62.42 1n8j h ILE 88 Cb 1.48 2.11 -0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1n8j h ILE 88 CO 0.14 0.54 -0.03 0.00 -0.69 0.00 0.00 178.15 178.12 1n8j h ALA 89 N 1.45 1.36 -0.08 1.87 0.00 -1.02 -1.36 119.26 121.49 1n8j h ALA 89 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n8j h ALA 89 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1n8j h ALA 89 CO 0.07 0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.71 1n8j n LYS 90 N -3.64 1.44 -2.56 0.00 2.85 -1.12 -4.85 118.16 110.28 1n8j n LYS 90 Ca -0.03 -0.65 -0.42 0.00 -1.05 0.00 0.00 58.31 56.16 1n8j n LYS 90 Cb 0.12 -1.39 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -1.90 4.48 -0.92 0.58 1.01 -0.51 -4.91 121.20 119.02 1n8j s ILE 91 Ca 0.33 1.78 0.09 0.00 0.00 0.00 0.00 60.65 62.86 1n8j s ILE 91 Cb 0.17 -4.15 0.02 0.00 0.01 0.00 0.00 42.46 38.51 1n8j s ILE 91 CO 0.27 0.01 0.65 0.29 0.00 0.00 0.00 174.94 176.16 1n8j n LYS 92 N 5.04 1.65 -2.66 2.79 5.02 -1.26 -4.77 118.16 123.96 1n8j n LYS 92 Ca 0.10 -0.70 -0.21 0.00 -2.02 0.00 0.00 58.31 55.47 1n8j n LYS 92 Cb 0.47 -1.09 0.05 0.00 -0.02 0.00 0.00 35.03 34.45 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -1.13 2.51 0.05 2.13 -0.85 -1.26 -4.73 117.35 114.07 1n8j s TYR 93 Ca 0.08 -0.12 -0.31 0.00 -0.52 0.00 0.00 57.07 56.21 1n8j s TYR 93 Cb 0.07 -2.76 -0.06 0.00 0.38 0.00 0.00 41.96 39.60 1n8j s TYR 93 CO 0.20 -1.05 1.22 0.00 -1.52 0.00 0.00 175.55 174.40 1n8j s ALA 94 N -2.82 3.43 -0.57 9.51 0.00 -1.18 -4.72 121.76 125.39 1n8j s ALA 94 Ca 0.59 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 53.27 1n8j s ALA 94 Cb -0.09 -3.47 0.14 0.00 0.00 0.00 0.00 23.12 19.71 1n8j s ALA 94 CO 0.39 -0.50 0.50 -1.64 0.00 0.00 0.00 175.76 174.51 1n8j s MET 95 N 1.23 2.94 0.23 0.00 1.00 -0.57 -1.34 119.30 122.79 1n8j s MET 95 Ca 0.59 -1.88 -0.30 0.00 0.00 0.00 0.00 55.69 54.10 1n8j s MET 95 Cb -0.30 -4.20 -0.09 0.00 0.00 0.00 0.00 34.83 30.25 1n8j s MET 95 CO 0.28 -1.28 0.98 0.42 0.00 0.00 0.00 175.02 175.43 1n8j s ILE 96 N 1.23 4.00 -0.08 2.53 1.01 0.31 -1.43 121.20 128.77 1n8j s ILE 96 Ca 0.07 1.95 -0.04 0.00 0.00 0.00 0.00 60.65 62.63 1n8j s ILE 96 Cb -0.25 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 1n8j s ILE 96 CO -0.00 0.44 0.07 -0.83 0.00 0.00 0.00 174.94 174.62 1n8j s GLY 97 N -0.91 2.01 -0.38 6.18 0.00 -0.50 -3.35 107.32 110.37 1n8j s GLY 97 Ca 0.43 -0.75 0.11 0.00 0.00 0.00 0.00 44.72 44.51 1n8j s GLY 97 CO 0.34 -0.53 0.75 1.34 0.00 0.00 0.00 173.10 174.99 1n8j n ASP 98 N 1.86 0.53 0.32 1.64 2.03 -0.65 -4.29 116.55 117.99 1n8j n ASP 98 Ca -0.18 -3.05 0.20 0.00 0.52 0.00 0.00 54.79 52.28 1n8j n ASP 98 Cb 0.54 -0.40 1.06 0.00 -0.72 0.00 0.00 41.12 41.60 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 3.05 0.00 -0.00 -0.67 0.13 -1.71 0.18 132.00 132.97 1n8j h PRO 99 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1n8j h PRO 99 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1n8j h PRO 99 CO 0.47 0.01 -0.33 0.25 -0.23 0.00 0.00 178.00 178.17 1n8j n THR 100 N -3.22 0.00 -1.03 1.56 -2.24 -1.26 -4.92 114.28 103.17 1n8j n THR 100 Ca -0.02 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1n8j n THR 100 Cb 0.12 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.36 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.49 0.33 0.25 3.38 0.00 0.05 -4.90 105.19 105.79 1n8j n GLY 101 Ca 0.06 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.64 -0.41 4.61 0.00 -1.92 -0.15 119.26 122.03 1n8j h ALA 102 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1n8j h ALA 102 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n8j h ALA 102 CO 0.04 0.49 -0.12 1.25 0.00 0.00 0.00 179.25 180.91 1n8j h LEU 103 N 0.71 0.81 -0.73 0.00 6.46 -1.90 -1.16 115.31 119.50 1n8j h LEU 103 Ca 0.12 -0.37 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 1n8j h LEU 103 Cb 0.60 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1n8j h LEU 103 CO 0.04 1.00 0.32 0.74 -0.62 0.00 0.00 178.44 179.91 1n8j h THR 104 N 0.62 1.25 0.00 1.05 2.02 -1.89 -2.65 112.91 113.30 1n8j h THR 104 Ca 0.10 -0.74 -0.13 0.00 0.77 0.00 0.00 66.41 66.42 1n8j h THR 104 Cb 0.66 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1n8j h THR 104 CO 0.04 0.30 -0.60 0.03 0.37 0.00 0.00 175.52 175.67 1n8j h ARG 105 N 1.04 0.00 -0.12 6.66 3.08 -0.84 -1.40 114.38 122.80 1n8j h ARG 105 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1n8j h ARG 105 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1n8j h ARG 105 CO -0.02 0.60 0.05 -0.91 -1.07 0.00 0.00 179.97 178.61 1n8j h ASN 106 N 0.00 0.15 -0.54 7.04 2.35 -0.86 0.77 115.58 124.48 1n8j h ASN 106 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1n8j h ASN 106 Cb 1.06 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1n8j h ASN 106 CO 0.08 0.14 0.00 0.49 -1.65 0.00 0.00 177.43 176.48 1n8j n PHE 107 N -4.49 1.65 -4.14 1.19 3.72 -1.01 -4.85 117.46 109.53 1n8j n PHE 107 Ca -0.01 -0.60 -0.31 0.00 -0.05 0.00 0.00 57.45 56.48 1n8j n PHE 107 Cb 0.11 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.23 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 0.75 -0.31 -0.93 4.37 2.03 0.26 -4.87 116.55 117.85 1n8j n ASP 108 Ca 0.24 -1.18 0.05 0.00 0.52 0.00 0.00 54.79 54.42 1n8j n ASP 108 Cb 0.98 -2.17 0.12 0.00 -0.72 0.00 0.00 41.12 39.32 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 -2.83 1.38 -4.76 1.67 4.05 -0.56 -5.02 115.26 109.18 1n8j n ASN 109 Ca -0.29 -3.00 -0.36 0.00 0.45 0.00 0.00 54.58 51.39 1n8j n ASN 109 Cb 0.68 -0.42 -0.08 0.00 1.23 0.00 0.00 39.78 41.19 1n8j n ASN 109 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 1n8j s MET 110 N -1.75 3.68 -0.69 1.20 1.75 -1.26 -1.44 119.30 120.79 1n8j s MET 110 Ca 0.34 -0.23 -0.19 0.00 -1.25 0.00 0.00 55.69 54.36 1n8j s MET 110 Cb 0.36 -3.20 0.12 0.00 2.84 0.00 0.00 34.83 34.95 1n8j s MET 110 CO -0.10 0.54 0.82 1.03 -0.65 0.00 0.00 175.02 176.66 1n8j s ARG 111 N -0.37 3.22 0.32 4.11 0.52 -0.46 -4.92 118.95 121.37 1n8j s ARG 111 Ca 0.10 -1.50 0.07 0.00 -0.52 0.00 0.00 55.73 53.88 1n8j s ARG 111 Cb -0.12 -4.40 0.75 0.00 0.52 0.00 0.00 34.95 31.70 1n8j s ARG 111 CO 0.01 -1.58 1.80 0.93 0.02 0.00 0.00 175.30 176.49 1n8j h GLU 112 N 8.98 0.74 0.00 3.54 4.39 -1.96 -1.02 114.58 129.26 1n8j h GLU 112 Ca -0.16 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1n8j h GLU 112 Cb 1.07 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1n8j h GLU 112 CO 1.07 0.49 0.00 -0.40 -1.16 0.00 0.00 179.01 179.01 1n8j n ASP 113 N -4.69 0.00 0.00 1.42 5.68 -1.26 -3.50 116.55 114.20 1n8j n ASP 113 Ca 0.22 -0.19 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1n8j n ASP 113 Cb 0.54 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 -1.21 0.87 -1.48 0.11 1.02 -0.50 -5.01 120.64 114.43 1n8j n GLU 114 Ca 0.11 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1n8j n GLU 114 Cb 0.14 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.60 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 2.19 0.69 3.31 0.62 0.00 -0.51 -5.02 105.19 106.46 1n8j n GLY 115 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.81 2.39 0.53 0.99 1.43 -1.24 -4.76 118.68 116.21 1n8j s LEU 116 Ca 0.00 -0.80 -0.16 0.00 -1.03 0.00 0.00 54.13 52.15 1n8j s LEU 116 Cb 0.00 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.32 1n8j s LEU 116 CO 0.00 -0.01 1.00 0.00 0.23 0.00 0.00 176.35 177.57 1n8j s ALA 117 N -1.74 3.05 0.72 4.21 0.00 -1.26 -1.35 121.76 125.39 1n8j s ALA 117 Ca 0.12 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 1n8j s ALA 117 Cb -0.07 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 19.97 1n8j s ALA 117 CO 0.05 -0.34 1.08 -0.51 0.00 0.00 0.00 175.76 176.05 1n8j s ASP 118 N -3.21 5.10 -0.96 0.00 1.11 -0.52 -3.00 116.67 115.19 1n8j s ASP 118 Ca 0.59 0.87 -0.24 0.00 0.18 0.00 0.00 52.55 53.94 1n8j s ASP 118 Cb -0.10 -1.58 0.02 0.00 1.07 0.00 0.00 42.92 42.32 1n8j s ASP 118 CO 0.35 -1.50 1.58 -0.13 1.18 0.00 0.00 175.17 176.64 1n8j s ARG 119 N -5.35 3.26 0.04 8.23 0.52 -1.25 -4.01 118.95 120.39 1n8j s ARG 119 Ca 0.59 -0.78 0.06 0.00 -0.52 0.00 0.00 55.73 55.08 1n8j s ARG 119 Cb -0.11 -5.16 -0.02 0.00 0.52 0.00 0.00 34.95 30.18 1n8j s ARG 119 CO 0.49 -2.52 -0.18 0.00 0.02 0.00 0.00 175.30 173.11 1n8j s ALA 120 N 6.48 1.52 -0.06 2.13 0.00 -1.04 -0.97 121.76 129.82 1n8j s ALA 120 Ca 0.52 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1n8j s ALA 120 Cb -0.03 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1n8j s ALA 120 CO -0.05 0.32 -0.13 0.99 0.00 0.00 0.00 175.76 176.89 1n8j s THR 121 N -0.84 1.19 -0.08 0.00 2.01 0.95 -0.24 115.64 118.64 1n8j s THR 121 Ca 0.05 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1n8j s THR 121 Cb -0.08 -1.07 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1n8j s THR 121 CO 0.02 0.36 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.78 1n8j s PHE 122 N 0.53 1.90 -0.29 4.92 0.40 -0.52 -1.57 117.98 123.36 1n8j s PHE 122 Ca -0.12 -0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 55.35 1n8j s PHE 122 Cb -0.15 -1.34 -0.02 0.00 0.51 0.00 0.00 43.02 42.02 1n8j s PHE 122 CO 0.04 -0.36 0.13 0.08 0.70 0.00 0.00 175.22 175.81 1n8j s VAL 123 N 0.61 4.64 -0.09 -0.44 1.01 -0.71 -1.07 120.40 124.35 1n8j s VAL 123 Ca -0.15 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1n8j s VAL 123 Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1n8j s VAL 123 CO 0.05 0.18 -0.16 -0.69 0.00 0.00 0.00 175.10 174.48 1n8j s VAL 124 N 1.64 2.87 0.80 2.92 1.01 0.18 -0.53 120.40 129.30 1n8j s VAL 124 Ca 0.06 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1n8j s VAL 124 Cb -0.16 -2.16 0.13 0.00 0.00 0.00 0.00 36.38 34.19 1n8j s VAL 124 CO 0.06 0.55 1.11 1.51 0.00 0.00 0.00 175.10 178.34 1n8j s ASP 125 N -0.06 4.12 0.54 3.32 1.47 -0.13 0.15 116.67 126.08 1n8j s ASP 125 Ca -0.03 0.18 0.32 0.00 1.18 0.00 0.00 52.55 54.19 1n8j s ASP 125 Cb -0.14 -0.55 1.49 0.00 -0.34 0.00 0.00 42.92 43.38 1n8j s ASP 125 CO 0.04 -2.05 1.88 -0.65 0.68 0.00 0.00 175.17 175.07 1n8j h PRO 126 N -0.94 0.00 -0.12 2.11 0.11 -1.82 0.43 132.00 131.77 1n8j h PRO 126 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1n8j h PRO 126 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1n8j h PRO 126 CO 0.48 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.31 1n8j n GLN 127 N -4.22 1.62 -1.04 1.05 3.00 -1.26 -1.26 117.38 115.27 1n8j n GLN 127 Ca 0.18 -0.93 -0.00 0.00 -0.01 0.00 0.00 57.00 56.24 1n8j n GLN 127 Cb 0.97 -1.40 -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 1.10 0.42 3.81 1.08 0.00 0.15 -4.90 105.19 106.85 1n8j n GLY 128 Ca 0.17 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -2.02 5.11 -0.36 -0.61 -1.09 -1.25 -0.57 121.20 120.40 1n8j s ILE 129 Ca 0.00 0.78 -0.28 0.00 -2.23 0.00 0.00 60.65 58.92 1n8j s ILE 129 Cb 0.00 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1n8j s ILE 129 CO 0.00 0.53 1.05 -0.63 -1.23 0.00 0.00 174.94 174.66 1n8j s ILE 130 N -0.68 4.47 -0.06 2.92 1.01 -0.31 -0.95 121.20 127.59 1n8j s ILE 130 Ca 0.23 1.50 0.22 0.00 0.00 0.00 0.00 60.65 62.59 1n8j s ILE 130 Cb -0.16 -4.43 -0.31 0.00 0.01 0.00 0.00 42.46 37.57 1n8j s ILE 130 CO 0.11 -0.60 0.53 0.00 0.00 0.00 0.00 174.94 174.98 1n8j n GLN 131 N 7.05 0.65 -3.68 2.79 1.13 0.31 -0.59 117.38 125.04 1n8j n GLN 131 Ca 0.11 -0.17 -0.14 0.00 -1.94 0.00 0.00 57.00 54.85 1n8j n GLN 131 Cb 0.48 -1.55 -0.08 0.00 0.11 0.00 0.00 30.24 29.20 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 -3.50 -1.24 0.00 -1.58 0.00 -1.21 -4.94 121.76 109.29 1n8j s ALA 132 Ca -0.07 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1n8j s ALA 132 Cb 0.14 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1n8j s ALA 132 CO 0.90 -0.28 -0.04 0.42 0.00 0.00 0.00 175.76 176.76 1n8j s ILE 133 N -0.50 0.31 -0.03 0.00 1.01 -1.26 -1.73 121.20 118.99 1n8j s ILE 133 Ca -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 1n8j s ILE 133 Cb -0.03 -0.29 0.03 0.00 0.01 0.00 0.00 42.46 42.18 1n8j s ILE 133 CO 0.04 0.01 0.06 -0.70 0.00 0.00 0.00 174.94 174.35 1n8j s GLU 134 N -0.29 -0.02 -0.04 2.79 2.12 -0.61 -4.99 118.70 117.66 1n8j s GLU 134 Ca -0.00 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.59 1n8j s GLU 134 Cb -0.03 -0.27 0.02 0.00 0.26 0.00 0.00 34.13 34.12 1n8j s GLU 134 CO -0.00 -0.19 -0.03 0.08 -0.54 0.00 0.00 175.26 174.58 1n8j s VAL 135 N 1.28 0.41 0.19 3.70 1.01 -1.26 -0.03 120.40 125.70 1n8j s VAL 135 Ca -0.07 -0.04 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1n8j s VAL 135 Cb -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1n8j s VAL 135 CO -0.04 0.20 -0.14 0.42 0.00 0.00 0.00 175.10 175.55 1n8j s THR 136 N 1.03 1.62 0.93 3.92 -4.23 -0.14 -5.01 115.64 113.75 1n8j s THR 136 Ca -0.10 -2.15 -0.11 0.00 -1.18 0.00 0.00 61.69 58.16 1n8j s THR 136 Cb -0.14 -1.97 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1n8j s THR 136 CO -0.01 -0.60 1.11 0.00 -0.54 0.00 0.00 174.62 174.58 1n8j s ALA 137 N -2.95 1.26 0.26 3.99 0.00 -1.26 -3.90 121.76 119.16 1n8j s ALA 137 Ca 0.20 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 1n8j s ALA 137 Cb -0.01 -3.34 0.54 0.00 0.00 0.00 0.00 23.12 20.32 1n8j s ALA 137 CO 0.05 -2.72 1.65 1.49 0.00 0.00 0.00 175.76 176.23 1n8j h GLU 138 N -1.83 0.19 -0.43 0.00 4.57 -2.01 -1.94 114.58 113.13 1n8j h GLU 138 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1n8j h GLU 138 Cb 1.28 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1n8j h GLU 138 CO 0.47 0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.83 1n8j n GLY 139 N -1.39 1.00 3.18 1.92 0.00 -1.26 -4.80 105.19 103.84 1n8j n GLY 139 Ca 0.17 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.45 3.27 0.51 -0.61 1.01 -0.73 -5.10 121.20 118.10 1n8j s ILE 140 Ca 0.28 -1.49 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 1n8j s ILE 140 Cb 0.15 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 1n8j s ILE 140 CO 0.19 -0.27 1.10 -0.83 0.00 0.00 0.00 174.94 175.13 1n8j s GLY 141 N 1.44 2.62 0.58 6.18 0.00 -1.26 -4.59 107.32 112.30 1n8j s GLY 141 Ca -0.01 0.77 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 1n8j s GLY 141 CO -0.01 1.13 0.87 0.50 0.00 0.00 0.00 173.10 175.59 1n8j s ARG 142 N -3.15 2.77 -0.26 2.90 0.52 -1.26 -5.08 118.95 115.38 1n8j s ARG 142 Ca 0.69 -0.21 -0.01 0.00 -0.52 0.00 0.00 55.73 55.68 1n8j s ARG 142 Cb -0.22 -2.32 0.04 0.00 0.52 0.00 0.00 34.95 32.97 1n8j s ARG 142 CO 0.26 -0.73 -0.06 0.34 0.02 0.00 0.00 175.30 175.12 1n8j s ASP 143 N -4.34 4.42 0.47 0.23 -1.08 -1.26 -4.89 116.67 110.21 1n8j s ASP 143 Ca 0.54 -1.06 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 1n8j s ASP 143 Cb -0.10 -1.65 1.07 0.00 -1.46 0.00 0.00 42.92 40.78 1n8j s ASP 143 CO 0.43 -0.17 2.10 0.00 0.52 0.00 0.00 175.17 178.05 1n8j h ALA 144 N 7.96 1.88 -0.11 3.66 0.00 -1.92 -2.21 119.26 128.52 1n8j h ALA 144 Ca -0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1n8j h ALA 144 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1n8j h ALA 144 CO 0.55 0.10 -0.16 0.66 0.00 0.00 0.00 179.25 180.40 1n8j h SER 145 N 0.27 0.17 0.39 0.00 4.64 -1.94 -1.40 113.55 115.68 1n8j h SER 145 Ca 0.09 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 1n8j h SER 145 Cb 0.02 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1n8j h SER 145 CO -0.02 0.35 -0.87 -0.78 -0.87 0.00 0.00 176.83 174.64 1n8j h ASP 146 N 0.17 0.43 -0.14 4.97 3.58 -1.84 -2.85 116.42 120.74 1n8j h ASP 146 Ca 0.03 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1n8j h ASP 146 Cb 0.39 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1n8j h ASP 146 CO 0.02 1.11 0.09 0.25 -2.88 0.00 0.00 179.24 177.84 1n8j h LEU 147 N 0.20 0.16 -1.19 2.28 5.85 -1.26 -2.55 115.31 118.81 1n8j h LEU 147 Ca -0.06 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1n8j h LEU 147 Cb 1.48 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1n8j h LEU 147 CO 0.14 0.12 0.58 -0.07 -0.34 0.00 0.00 178.44 178.87 1n8j h LEU 148 N 0.19 0.81 0.19 2.25 3.38 -1.23 -0.95 115.31 119.94 1n8j h LEU 148 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1n8j h LEU 148 Cb -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1n8j h LEU 148 CO -0.01 0.47 -0.09 -0.09 0.09 0.00 0.00 178.44 178.81 1n8j h ARG 149 N 0.89 -0.24 -0.59 1.13 2.43 -1.22 -1.40 114.38 115.37 1n8j h ARG 149 Ca 0.42 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 1n8j h ARG 149 Cb 0.41 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1n8j h ARG 149 CO -0.18 -0.06 0.39 0.87 -1.51 0.00 0.00 179.97 179.48 1n8j h LYS 150 N -0.38 0.69 -0.33 0.20 1.57 -1.12 -0.40 116.57 116.80 1n8j h LYS 150 Ca -0.03 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1n8j h LYS 150 Cb 0.29 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1n8j h LYS 150 CO 0.04 0.46 0.03 0.82 -0.57 0.00 0.00 179.45 180.22 1n8j h ILE 151 N 0.71 1.25 -0.60 1.86 2.04 -0.95 0.04 117.51 121.85 1n8j h ILE 151 Ca 0.23 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 1n8j h ILE 151 Cb 0.05 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1n8j h ILE 151 CO -0.06 0.30 0.02 0.11 0.00 0.00 0.00 178.15 178.52 1n8j h LYS 152 N 0.38 1.04 -0.12 2.37 1.57 -0.47 -0.95 116.57 120.39 1n8j h LYS 152 Ca 0.10 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1n8j h LYS 152 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1n8j h LYS 152 CO 0.01 1.00 -0.35 0.00 -0.57 0.00 0.00 179.45 179.54 1n8j h ALA 153 N 1.06 1.18 -0.32 3.86 0.00 -0.95 -1.33 119.26 122.76 1n8j h ALA 153 Ca 0.18 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1n8j h ALA 153 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1n8j h ALA 153 CO 0.03 0.55 -0.46 0.00 0.00 0.00 0.00 179.25 179.36 1n8j h ALA 154 N 1.42 0.58 -0.00 0.00 0.00 -0.61 -2.17 119.26 118.48 1n8j h ALA 154 Ca 0.02 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1n8j h ALA 154 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1n8j h ALA 154 CO 0.06 0.68 -0.49 1.96 0.00 0.00 0.00 179.25 181.45 1n8j h GLN 155 N 0.67 0.01 -0.05 0.00 4.20 -0.87 -2.87 115.11 116.19 1n8j h GLN 155 Ca 0.04 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1n8j h GLN 155 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1n8j h GLN 155 CO 0.10 0.50 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.74 1n8j h TYR 156 N 0.01 0.21 0.00 2.96 3.20 -1.07 -2.00 116.97 120.27 1n8j h TYR 156 Ca -0.00 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1n8j h TYR 156 Cb 0.87 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1n8j h TYR 156 CO 0.00 0.70 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.68 1n8j h VAL 157 N -0.34 0.93 -0.03 1.81 -1.51 -1.40 -0.90 116.25 114.81 1n8j h VAL 157 Ca 0.00 -0.52 -0.13 0.00 -1.23 0.00 0.00 66.70 64.82 1n8j h VAL 157 Cb 0.68 1.30 0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1n8j h VAL 157 CO 0.02 0.14 -0.50 0.00 -1.23 0.00 0.00 177.57 176.00 1n8j h ALA 158 N 1.86 0.10 -0.18 5.19 0.00 -1.49 -3.22 119.26 121.51 1n8j h ALA 158 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1n8j h ALA 158 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1n8j h ALA 158 CO 0.02 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1n8j n ALA 159 N -2.56 2.48 -3.01 0.00 0.00 -0.75 -4.22 120.51 112.44 1n8j n ALA 159 Ca -0.10 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 1n8j n ALA 159 Cb 0.62 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.04 -1.32 -1.63 0.00 -0.00 -0.37 -5.04 115.22 106.90 1n8j n HIS 160 Ca 0.08 -2.98 -0.41 0.00 -0.00 0.00 0.00 57.72 54.41 1n8j n HIS 160 Cb 0.18 0.41 0.01 0.00 -0.00 0.00 0.00 29.99 30.59 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n8j n PRO 161 N 0.94 1.44 0.00 -0.41 -0.02 -1.24 -1.65 135.00 134.06 1n8j n PRO 161 Ca 0.17 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1n8j n PRO 161 Cb 0.62 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 1.11 1.66 3.48 -1.23 0.00 -1.26 -5.05 105.19 103.91 1n8j n GLY 162 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.87 1.76 0.08 1.61 2.02 -0.66 -3.74 118.70 118.90 1n8j s GLU 163 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.75 1n8j s GLU 163 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 1n8j s GLU 163 CO 0.00 0.46 -0.09 0.14 0.02 0.00 0.00 175.26 175.79 1n8j s VAL 164 N -1.33 0.80 -0.25 2.63 -7.23 -0.69 -4.73 120.40 109.59 1n8j s VAL 164 Ca 0.19 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 58.67 1n8j s VAL 164 Cb -0.10 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 1n8j s VAL 164 CO 0.11 -0.59 0.21 0.00 -0.31 0.00 0.00 175.10 174.51 1n8j s PRO 166 N 1.38 -1.29 0.31 0.00 0.02 -1.26 -4.87 135.00 129.28 1n8j s PRO 166 Ca 0.09 0.09 -0.30 0.00 0.02 0.00 0.00 61.00 60.91 1n8j s PRO 166 Cb -0.15 -1.57 -0.12 0.00 0.02 0.00 0.00 34.50 32.69 1n8j s PRO 166 CO 0.07 -3.79 1.57 0.00 -0.33 0.00 0.00 177.00 174.53 1n8j n ALA 167 N -4.85 2.51 -0.94 -1.55 0.00 -1.26 -2.27 120.51 112.15 1n8j n ALA 167 Ca 0.11 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1n8j n ALA 167 Cb 0.59 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N 1.78 -0.49 -1.66 0.00 5.02 -1.26 -4.96 118.16 116.58 1n8j n LYS 168 Ca 0.07 0.12 -0.46 0.00 -2.02 0.00 0.00 58.31 56.03 1n8j n LYS 168 Cb 0.37 -3.58 -0.03 0.00 -0.02 0.00 0.00 35.03 31.77 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 -2.42 2.04 -4.17 2.13 -0.00 -0.96 -5.01 117.44 109.05 1n8j n TRP 169 Ca 0.00 0.45 -0.17 0.00 -0.00 0.00 0.00 57.50 57.78 1n8j n TRP 169 Cb 0.12 -2.44 -0.12 0.00 -0.00 0.00 0.00 31.31 28.87 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -0.17 0.70 0.17 5.87 1.02 -1.26 -4.90 119.74 121.18 1n8j s LYS 170 Ca 0.71 -0.78 -0.32 0.00 0.02 0.00 0.00 55.97 55.60 1n8j s LYS 170 Cb -0.69 -0.62 -0.16 0.00 -0.52 0.00 0.00 37.83 35.83 1n8j s LYS 170 CO 0.48 0.14 0.93 0.39 -0.92 0.00 0.00 175.35 176.37 1n8j n GLU 171 N 1.61 0.66 -0.56 1.68 1.02 -1.26 -2.07 120.64 121.72 1n8j n GLU 171 Ca -0.20 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1n8j n GLU 171 Cb 0.55 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 1.80 0.73 3.70 0.62 0.00 -1.26 -5.06 105.19 105.71 1n8j n GLY 172 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 2.25 0.36 1.61 2.02 -0.88 -5.09 118.70 118.53 1n8j s GLU 173 Ca 0.00 -1.66 -0.28 0.00 0.02 0.00 0.00 54.97 53.05 1n8j s GLU 173 Cb 0.00 -2.07 -0.12 0.00 0.10 0.00 0.00 34.13 32.05 1n8j s GLU 173 CO 0.00 0.09 1.39 0.00 0.02 0.00 0.00 175.26 176.75 1n8j n ALA 174 N -1.10 1.81 -2.67 5.21 0.00 -1.26 -4.95 120.51 117.55 1n8j n ALA 174 Ca -0.03 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 1n8j n ALA 174 Cb 0.62 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 1n8j n ALA 174 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n8j s THR 175 N -1.07 1.31 -0.04 0.00 -4.23 -1.26 -4.63 115.64 105.72 1n8j s THR 175 Ca 0.55 -1.88 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1n8j s THR 175 Cb -0.53 -2.19 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1n8j s THR 175 CO 0.63 0.00 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.75 1n8j s LEU 176 N -3.97 2.43 -0.62 4.79 1.43 -0.71 -4.98 118.68 117.06 1n8j s LEU 176 Ca 0.13 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1n8j s LEU 176 Cb 0.01 -1.46 0.16 0.00 0.03 0.00 0.00 46.19 44.93 1n8j s LEU 176 CO 0.08 0.33 0.46 0.00 0.23 0.00 0.00 176.35 177.44 1n8j s ALA 177 N -0.63 3.60 -0.17 4.21 0.00 -1.26 -1.71 121.76 125.80 1n8j s ALA 177 Ca 0.10 -3.10 -0.35 0.00 0.00 0.00 0.00 51.96 48.60 1n8j s ALA 177 Cb -0.11 -2.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.09 1n8j s ALA 177 CO 0.00 -2.08 1.91 -2.30 0.00 0.00 0.00 175.76 173.30 1n8j n PRO 178 N 3.86 1.84 -3.90 0.00 -0.02 -1.25 -4.90 135.00 130.64 1n8j n PRO 178 Ca 0.06 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1n8j n PRO 178 Cb 0.40 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N 4.61 -0.14 0.42 2.55 1.04 -1.26 -5.05 113.70 115.87 1n8j s SER 179 Ca 0.96 -0.75 0.11 0.00 0.48 0.00 0.00 55.95 56.75 1n8j s SER 179 Cb -0.77 0.57 0.91 0.00 0.10 0.00 0.00 66.02 66.84 1n8j s SER 179 CO 0.53 -1.09 1.98 0.25 0.98 0.00 0.00 173.24 175.89 1n8j h LEU 180 N 2.26 0.17 -0.26 2.42 6.46 -1.98 -2.93 115.31 121.45 1n8j h LEU 180 Ca -0.27 -0.02 -0.21 0.00 -0.12 0.00 0.00 57.88 57.26 1n8j h LEU 180 Cb 1.25 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1n8j h LEU 180 CO 0.37 0.27 -0.76 0.44 -0.62 0.00 0.00 178.44 178.15 1n8j h ASP 181 N 0.18 0.76 0.88 1.25 3.32 -1.97 -3.12 116.42 117.73 1n8j h ASP 181 Ca 0.04 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1n8j h ASP 181 Cb 0.25 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1n8j h ASP 181 CO 0.01 1.27 0.00 -0.07 -1.72 0.00 0.00 179.24 178.74 1n8j h LEU 182 N 0.44 0.00 -9.03 1.55 3.38 -1.87 -3.42 115.31 106.37 1n8j h LEU 182 Ca -0.04 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 1n8j h LEU 182 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1n8j h LEU 182 CO 0.15 0.00 1.41 0.52 0.09 0.00 0.00 178.44 180.61 1n8j n VAL 183 N -2.71 0.43 0.00 1.22 0.31 -1.15 -1.77 118.33 114.66 1n8j n VAL 183 Ca 0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1n8j n VAL 183 Cb 0.27 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.83 1n8j n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n8j n GLY 184 N 5.53 3.21 0.19 2.92 0.00 -1.26 -4.89 105.19 110.88 1n8j n GLY 184 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 1.49 0.00 -0.01 1.61 1.57 -1.59 -3.55 116.57 116.09 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 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1n8j h LYS 185 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.99