#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 0.73 -4.70 2.46 4.77 -1.26 -4.90 117.00 114.11 1n8j n LEU 2 Ca 0.00 -0.27 -0.44 0.00 -0.03 0.00 0.00 56.01 55.27 1n8j n LEU 2 Cb 0.00 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1n8j n LEU 2 CO 0.00 0.13 1.15 0.00 -1.33 0.00 0.00 177.39 177.35 1n8j n ILE 3 N -0.38 0.72 -1.42 -0.08 0.13 -1.26 -2.02 119.36 115.04 1n8j n ILE 3 Ca 0.19 -0.18 -0.09 0.00 -1.10 0.00 0.00 62.75 61.57 1n8j n ILE 3 Cb 0.21 -1.68 -0.03 0.00 -0.84 0.00 0.00 39.64 37.29 1n8j n ILE 3 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 1n8j n ASN 4 N 2.55 -3.97 -4.52 9.51 4.05 0.30 -4.97 115.26 118.21 1n8j n ASN 4 Ca 0.12 0.19 -0.25 0.00 0.45 0.00 0.00 54.58 55.09 1n8j n ASN 4 Cb 0.33 -2.45 -0.10 0.00 1.23 0.00 0.00 39.78 38.79 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 -2.37 2.79 -0.02 -0.44 -4.23 -0.86 -4.81 115.64 105.71 1n8j s THR 5 Ca 0.00 -2.07 -0.28 0.00 -1.18 0.00 0.00 61.69 58.16 1n8j s THR 5 Cb 0.00 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 1n8j s THR 5 CO 0.00 -0.27 0.89 -0.75 -0.54 0.00 0.00 174.62 173.95 1n8j s LYS 6 N -3.22 4.52 0.56 3.99 2.20 -1.26 -1.41 119.74 125.13 1n8j s LYS 6 Ca 0.27 1.25 -0.21 0.00 -0.36 0.00 0.00 55.97 56.92 1n8j s LYS 6 Cb -0.07 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1n8j s LYS 6 CO 0.15 -0.01 1.25 0.44 -0.36 0.00 0.00 175.35 176.82 1n8j n ILE 7 N 3.84 3.86 -2.72 5.43 -5.35 0.28 -4.97 119.36 119.74 1n8j n ILE 7 Ca 0.04 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.71 1n8j n ILE 7 Cb 0.51 -1.50 -0.03 0.00 -1.74 0.00 0.00 39.64 36.88 1n8j n ILE 7 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1n8j s LYS 8 N -2.86 3.80 0.70 6.28 1.02 -1.26 -5.03 119.74 122.38 1n8j s LYS 8 Ca 0.73 0.57 -0.17 0.00 0.02 0.00 0.00 55.97 57.13 1n8j s LYS 8 Cb -0.42 -2.33 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1n8j s LYS 8 CO 0.48 -0.11 1.26 -1.25 -0.92 0.00 0.00 175.35 174.82 1n8j s PRO 9 N -3.96 2.28 0.14 -1.68 0.04 -1.26 -4.87 135.00 125.69 1n8j s PRO 9 Ca 0.53 1.95 -0.23 0.00 0.04 0.00 0.00 61.00 63.29 1n8j s PRO 9 Cb -0.10 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.68 1n8j s PRO 9 CO 0.32 -1.77 0.58 -0.59 0.04 0.00 0.00 177.00 175.58 1n8j s PHE 10 N -1.65 -0.50 -0.20 0.56 -0.12 -1.26 -4.97 117.98 109.83 1n8j s PHE 10 Ca 0.79 0.32 -0.04 0.00 -0.05 0.00 0.00 56.93 57.95 1n8j s PHE 10 Cb -0.34 0.51 0.09 0.00 -0.63 0.00 0.00 43.02 42.65 1n8j s PHE 10 CO 0.43 -0.81 0.23 0.21 -0.05 0.00 0.00 175.22 175.22 1n8j s LYS 11 N -3.59 0.20 0.08 1.99 2.20 -1.26 -3.07 119.74 116.28 1n8j s LYS 11 Ca 0.00 0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1n8j s LYS 11 Cb -0.01 -1.17 -0.04 0.00 -1.51 0.00 0.00 37.83 35.11 1n8j s LYS 11 CO -0.11 -0.65 -0.07 -0.80 -0.36 0.00 0.00 175.35 173.36 1n8j s ASN 12 N 2.33 1.06 0.28 1.43 -0.87 -0.34 -4.98 114.94 113.86 1n8j s ASN 12 Ca 0.07 -0.88 -0.09 0.00 -1.57 0.00 0.00 52.86 50.38 1n8j s ASN 12 Cb -0.16 0.08 -0.07 0.00 -0.02 0.00 0.00 41.25 41.08 1n8j s ASN 12 CO -0.12 -0.40 0.61 -1.10 -2.57 0.00 0.00 177.10 173.52 1n8j s GLN 13 N -3.23 3.79 0.16 -0.60 -1.52 -1.26 -0.14 119.66 116.86 1n8j s GLN 13 Ca 0.06 0.30 -0.11 0.00 -1.95 0.00 0.00 55.36 53.66 1n8j s GLN 13 Cb 0.01 -2.57 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 1n8j s GLN 13 CO -0.03 0.21 0.33 0.00 -0.25 0.00 0.00 175.29 175.55 1n8j s ALA 14 N -1.99 -0.24 -0.14 6.09 0.00 0.07 -0.97 121.76 124.58 1n8j s ALA 14 Ca 0.48 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 1n8j s ALA 14 Cb -0.11 0.82 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1n8j s ALA 14 CO 0.24 -0.67 -0.11 0.12 0.00 0.00 0.00 175.76 175.34 1n8j s PHE 15 N -3.93 2.85 -0.20 0.00 5.36 0.19 -1.94 117.98 120.31 1n8j s PHE 15 Ca 0.14 -0.59 -0.04 0.00 -0.96 0.00 0.00 56.93 55.48 1n8j s PHE 15 Cb 0.02 -1.87 0.10 0.00 -0.34 0.00 0.00 43.02 40.94 1n8j s PHE 15 CO -0.02 -0.19 0.29 0.21 -1.46 0.00 0.00 175.22 174.05 1n8j s LYS 16 N 0.38 0.24 -0.50 10.12 2.20 -0.55 -0.12 119.74 131.51 1n8j s LYS 16 Ca -0.09 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1n8j s LYS 16 Cb -0.16 -0.69 0.01 0.00 -1.51 0.00 0.00 37.83 35.48 1n8j s LYS 16 CO 0.05 -0.57 0.40 0.09 -0.36 0.00 0.00 175.35 174.96 1n8j n ASN 17 N 5.34 -3.17 0.00 1.43 3.02 -1.26 -2.15 115.26 118.47 1n8j n ASN 17 Ca -0.05 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1n8j n ASN 17 Cb 0.50 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -1.06 2.71 3.17 7.41 0.00 -1.26 -5.03 105.19 111.12 1n8j n GLY 18 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.52 0.96 -0.19 1.61 -1.05 -0.92 -5.14 118.70 113.45 1n8j s GLU 19 Ca 0.00 -1.46 -0.12 0.00 -0.15 0.00 0.00 54.97 53.24 1n8j s GLU 19 Cb 0.00 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 1n8j s GLU 19 CO 0.00 -0.24 0.21 -0.06 0.95 0.00 0.00 175.26 176.11 1n8j s PHE 20 N -3.99 3.41 0.32 4.83 0.08 -1.26 -1.48 117.98 119.89 1n8j s PHE 20 Ca 0.24 0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.75 1n8j s PHE 20 Cb 0.07 -2.26 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 1n8j s PHE 20 CO 0.02 0.21 0.07 0.96 -0.10 0.00 0.00 175.22 176.38 1n8j s ILE 21 N 0.58 1.08 -0.05 0.64 -4.36 -0.82 -4.97 121.20 113.30 1n8j s ILE 21 Ca 0.11 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1n8j s ILE 21 Cb -0.12 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1n8j s ILE 21 CO 0.02 0.00 -0.10 -0.70 0.24 0.00 0.00 174.94 174.39 1n8j s GLU 22 N -3.91 2.60 -0.09 0.37 2.12 -1.26 -0.75 118.70 117.78 1n8j s GLU 22 Ca 0.36 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 55.08 1n8j s GLU 22 Cb 0.08 -2.48 0.01 0.00 0.26 0.00 0.00 34.13 32.00 1n8j s GLU 22 CO 0.15 0.64 -0.17 0.08 -0.54 0.00 0.00 175.26 175.42 1n8j s VAL 23 N -0.80 1.52 0.29 3.70 1.01 0.80 -4.96 120.40 121.94 1n8j s VAL 23 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1n8j s VAL 23 Cb -0.11 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.86 1n8j s VAL 23 CO 0.02 0.44 -0.01 0.42 0.00 0.00 0.00 175.10 175.97 1n8j s THR 24 N 0.64 1.36 0.59 3.92 -4.23 -1.26 -1.20 115.64 115.47 1n8j s THR 24 Ca -0.14 -2.06 0.29 0.00 -1.18 0.00 0.00 61.69 58.60 1n8j s THR 24 Cb -0.16 -2.56 0.36 0.00 1.34 0.00 0.00 72.50 71.48 1n8j s THR 24 CO 0.04 -0.20 2.11 1.05 -0.54 0.00 0.00 174.62 177.08 1n8j h GLU 25 N 2.25 0.00 0.00 3.99 9.09 -1.87 0.11 114.58 128.15 1n8j h GLU 25 Ca -0.40 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.00 1n8j h GLU 25 Cb 1.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 1n8j h GLU 25 CO 0.68 0.00 -0.06 0.87 0.05 0.00 0.00 179.01 180.55 1n8j h LYS 26 N 0.00 0.00 0.00 1.06 6.56 -1.95 -1.16 116.57 121.08 1n8j h LYS 26 Ca 0.08 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.64 1n8j h LYS 26 Cb 0.47 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1n8j h LYS 26 CO -0.00 0.06 -0.14 -0.44 -2.06 0.00 0.00 179.45 176.87 1n8j h ASP 27 N 0.00 0.00 0.62 0.86 3.32 -1.37 -3.14 116.42 116.71 1n8j h ASP 27 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1n8j h ASP 27 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1n8j h ASP 27 CO 0.01 0.14 -0.96 0.35 -1.72 0.00 0.00 179.24 177.06 1n8j n THR 28 N -3.20 0.28 -1.84 0.35 -2.24 -0.46 -4.88 114.28 102.29 1n8j n THR 28 Ca 0.02 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 1n8j n THR 28 Cb 0.47 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 1n8j n THR 28 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n8j s GLU 29 N -3.23 4.18 0.00 -0.78 2.02 -1.09 -2.25 118.70 117.54 1n8j s GLU 29 Ca 0.03 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1n8j s GLU 29 Cb 0.13 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1n8j s GLU 29 CO 0.78 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 175.75 1n8j n GLY 30 N 3.97 0.75 3.11 -1.39 0.00 -0.72 -5.05 105.19 105.85 1n8j n GLY 30 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.45 0.65 0.06 1.61 0.52 -0.95 -4.84 118.95 115.54 1n8j s ARG 31 Ca 0.00 -1.18 -0.28 0.00 -0.52 0.00 0.00 55.73 53.75 1n8j s ARG 31 Cb 0.00 0.23 -0.05 0.00 0.52 0.00 0.00 34.95 35.65 1n8j s ARG 31 CO 0.00 -0.14 0.90 -1.58 0.02 0.00 0.00 175.30 174.50 1n8j s TRP 32 N -3.91 3.75 0.13 -0.53 0.52 -1.22 -2.74 118.94 114.94 1n8j s TRP 32 Ca 0.07 1.66 0.09 0.00 0.02 0.00 0.00 56.10 57.94 1n8j s TRP 32 Cb 0.07 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.36 1n8j s TRP 32 CO -0.10 0.17 -0.23 -1.12 0.02 0.00 0.00 176.95 175.69 1n8j s SER 33 N 0.24 2.90 -0.16 2.95 0.01 0.19 -1.28 113.70 118.55 1n8j s SER 33 Ca 0.45 -0.75 -0.01 0.00 1.31 0.00 0.00 55.95 56.96 1n8j s SER 33 Cb -0.22 -0.18 0.04 0.00 0.21 0.00 0.00 66.02 65.87 1n8j s SER 33 CO 0.27 0.09 -0.05 -0.69 0.41 0.00 0.00 173.24 173.27 1n8j s VAL 34 N -1.30 1.03 -0.44 3.43 1.01 -0.54 -0.62 120.40 122.97 1n8j s VAL 34 Ca 0.12 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1n8j s VAL 34 Cb -0.09 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 35.14 1n8j s VAL 34 CO 0.06 0.15 0.34 -0.36 0.00 0.00 0.00 175.10 175.28 1n8j s PHE 35 N 1.67 3.25 -0.47 5.22 0.40 -0.02 -0.52 117.98 127.51 1n8j s PHE 35 Ca 0.01 -0.90 -0.15 0.00 -0.60 0.00 0.00 56.93 55.30 1n8j s PHE 35 Cb -0.15 -2.92 0.08 0.00 0.51 0.00 0.00 43.02 40.54 1n8j s PHE 35 CO -0.08 -0.73 0.39 0.12 0.70 0.00 0.00 175.22 175.62 1n8j s PHE 36 N 1.62 3.26 -0.04 0.36 5.36 0.12 -1.16 117.98 127.49 1n8j s PHE 36 Ca 0.04 -1.05 -0.14 0.00 -0.96 0.00 0.00 56.93 54.82 1n8j s PHE 36 Cb -0.22 -3.22 -0.05 0.00 -0.34 0.00 0.00 43.02 39.18 1n8j s PHE 36 CO 0.07 -0.83 0.37 -0.06 -1.46 0.00 0.00 175.22 173.31 1n8j s PHE 37 N 1.61 3.66 0.01 10.12 0.40 0.89 0.99 117.98 135.67 1n8j s PHE 37 Ca 0.04 0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 57.22 1n8j s PHE 37 Cb -0.25 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.00 1n8j s PHE 37 CO 0.06 0.57 0.04 1.52 0.70 0.00 0.00 175.22 178.11 1n8j s TYR 38 N -0.76 0.17 0.07 0.36 -0.85 -0.11 -2.55 117.35 113.69 1n8j s TYR 38 Ca 0.22 -0.36 -0.20 0.00 -0.52 0.00 0.00 57.07 56.21 1n8j s TYR 38 Cb -0.16 -0.13 -0.07 0.00 0.38 0.00 0.00 41.96 41.98 1n8j s TYR 38 CO 0.11 -0.22 1.33 -1.35 -1.52 0.00 0.00 175.55 173.89 1n8j h PRO 39 N 4.53 -0.31 -2.07 -3.49 0.11 -1.78 -3.38 132.00 125.61 1n8j h PRO 39 Ca -0.31 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 1n8j h PRO 39 Cb 1.20 0.07 -0.19 0.00 0.11 0.00 0.00 31.00 32.20 1n8j h PRO 39 CO 0.41 -0.21 0.25 0.00 -0.21 0.00 0.00 178.00 178.24 1n8j s ALA 40 N -4.86 -1.77 0.85 -0.75 0.00 -1.26 -4.29 121.76 109.68 1n8j s ALA 40 Ca -0.09 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1n8j s ALA 40 Cb 0.04 0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.29 1n8j s ALA 40 CO 0.37 -0.42 1.10 -0.51 0.00 0.00 0.00 175.76 176.30 1n8j s ASP 41 N -1.40 3.75 -1.64 0.00 1.11 -1.26 -3.67 116.67 113.55 1n8j s ASP 41 Ca -0.08 1.80 -0.01 0.00 0.18 0.00 0.00 52.55 54.45 1n8j s ASP 41 Cb -0.00 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.56 1n8j s ASP 41 CO 0.06 -2.51 0.11 0.49 1.18 0.00 0.00 175.17 174.49 1n8j n PHE 42 N -3.83 -1.10 -1.93 4.23 3.01 -1.26 -5.00 117.46 111.58 1n8j n PHE 42 Ca 0.09 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1n8j n PHE 42 Cb 0.53 -3.89 0.00 0.00 -0.01 0.00 0.00 39.48 36.11 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 -4.10 0.00 -0.03 4.37 -2.24 -1.24 -5.12 114.28 105.92 1n8j n THR 43 Ca -0.21 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.53 1n8j n THR 43 Cb 0.67 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1n8j n THR 43 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1n8j n PHE 44 N 0.00 0.00 -0.03 4.78 3.72 -1.26 -4.64 117.46 120.04 1n8j n PHE 44 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 1n8j n PHE 44 Cb 0.00 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.25 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 -0.44 1.20 -0.80 -4.37 2.07 -1.97 -3.29 116.25 108.65 1n8j h VAL 45 Ca 0.00 -0.63 0.17 0.00 0.82 0.00 0.00 66.70 67.06 1n8j h VAL 45 Cb 0.44 1.43 -0.15 0.00 -1.52 0.00 0.00 31.29 31.49 1n8j h VAL 45 CO 0.00 0.18 -0.14 0.28 0.02 0.00 0.00 177.57 177.91 1n8j h SER 46 N -0.05 -0.64 -0.84 0.57 0.02 -1.90 0.16 113.55 110.87 1n8j h SER 46 Ca 0.03 0.23 0.12 0.00 -0.84 0.00 0.00 61.79 61.34 1n8j h SER 46 Cb 0.26 0.46 -0.08 0.00 0.14 0.00 0.00 62.40 63.18 1n8j h SER 46 CO 0.00 -0.25 0.45 -0.65 -1.14 0.00 0.00 176.83 175.24 1n8j h PRO 47 N 0.02 0.67 -0.43 3.45 0.11 -1.82 -0.14 132.00 133.85 1n8j h PRO 47 Ca 0.40 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.42 1n8j h PRO 47 Cb 0.65 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1n8j h PRO 47 CO -0.79 0.45 0.08 1.79 -0.21 0.00 0.00 178.00 179.32 1n8j h THR 48 N 0.69 1.20 -0.04 -1.15 1.35 -1.11 0.21 112.91 114.06 1n8j h THR 48 Ca 0.44 -0.74 -0.12 0.00 -0.55 0.00 0.00 66.41 65.44 1n8j h THR 48 Cb 0.53 0.78 0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1n8j h THR 48 CO -0.31 0.27 -0.42 -0.33 -0.25 0.00 0.00 175.52 174.47 1n8j h GLU 49 N 0.63 0.36 -0.18 4.72 5.08 -1.00 -0.71 114.58 123.49 1n8j h GLU 49 Ca 0.14 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1n8j h GLU 49 Cb 0.27 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1n8j h GLU 49 CO 0.00 0.99 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.78 1n8j h LEU 50 N -0.15 0.28 -0.43 1.33 3.38 -0.91 -1.07 115.31 117.74 1n8j h LEU 50 Ca -0.04 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1n8j h LEU 50 Cb 1.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1n8j h LEU 50 CO 0.09 0.46 -0.76 1.23 0.09 0.00 0.00 178.44 179.55 1n8j h GLY 51 N 0.83 0.27 0.71 0.83 0.00 -0.58 -2.05 103.07 103.09 1n8j h GLY 51 Ca 0.05 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1n8j h GLY 51 CO 0.03 0.37 -0.05 -1.80 0.00 0.00 0.00 176.54 175.08 1n8j h ASP 52 N 0.16 -0.13 -0.51 0.19 -0.00 -0.40 -2.14 116.42 113.59 1n8j h ASP 52 Ca -0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 1n8j h ASP 52 Cb 1.34 0.03 -0.03 0.00 -0.00 0.00 0.00 39.33 40.67 1n8j h ASP 52 CO 0.12 0.18 0.33 0.58 -0.00 0.00 0.00 179.24 180.45 1n8j h VAL 53 N -0.44 1.13 -0.27 2.25 2.07 -1.26 -1.18 116.25 118.55 1n8j h VAL 53 Ca -0.02 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1n8j h VAL 53 Cb 0.36 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1n8j h VAL 53 CO 0.02 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 1n8j h ALA 54 N 1.68 1.46 0.00 1.67 0.00 -1.15 -0.95 119.26 121.96 1n8j h ALA 54 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n8j h ALA 54 Cb -0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1n8j h ALA 54 CO -0.04 0.38 -0.00 -0.44 0.00 0.00 0.00 179.25 179.15 1n8j h ASP 55 N 0.40 0.00 -0.11 0.00 3.32 -0.54 -2.88 116.42 116.62 1n8j h ASP 55 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1n8j h ASP 55 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 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 -3.09 0.13 -0.21 4.55 8.25 -0.62 -4.61 115.22 119.62 1n8j n HIS 56 Ca 0.00 -0.12 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1n8j n HIS 56 Cb 0.29 -0.01 0.37 0.00 1.12 0.00 0.00 29.99 31.76 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 2.47 0.77 -0.18 4.41 3.20 -0.98 0.50 116.97 127.16 1n8j h TYR 57 Ca 0.00 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1n8j h TYR 57 Cb 0.59 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1n8j h TYR 57 CO 0.06 0.37 -0.02 1.49 -1.64 0.00 0.00 178.16 178.42 1n8j h GLU 58 N 0.73 0.03 -0.16 1.82 4.22 -1.81 0.19 114.58 119.60 1n8j h GLU 58 Ca 0.36 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.79 1n8j h GLU 58 Cb 0.43 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1n8j h GLU 58 CO -0.13 0.02 0.07 1.49 -2.18 0.00 0.00 179.01 178.28 1n8j h GLU 59 N 0.03 0.23 -0.61 1.92 4.81 -1.57 -1.44 114.58 117.95 1n8j h GLU 59 Ca 0.09 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1n8j h GLU 59 Cb 0.12 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1n8j h GLU 59 CO -0.16 0.27 0.29 -0.07 -0.73 0.00 0.00 179.01 178.60 1n8j h LEU 60 N 0.12 0.37 -1.29 1.64 3.38 -0.42 0.32 115.31 119.44 1n8j h LEU 60 Ca 0.05 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1n8j h LEU 60 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1n8j h LEU 60 CO -0.01 0.23 -0.35 1.56 0.09 0.00 0.00 178.44 179.96 1n8j h GLN 61 N 0.52 0.00 -0.25 1.13 1.08 -0.49 0.20 115.11 117.29 1n8j h GLN 61 Ca 0.29 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.39 1n8j h GLN 61 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1n8j h GLN 61 CO -0.23 0.35 -0.27 -0.22 -0.95 0.00 0.00 178.83 177.52 1n8j h LYS 62 N 0.00 0.49 -0.25 1.46 3.64 0.08 -1.58 116.57 120.42 1n8j h LYS 62 Ca -0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1n8j h LYS 62 Cb 0.63 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1n8j h LYS 62 CO 0.05 0.72 0.00 1.28 -2.27 0.00 0.00 179.45 179.23 1n8j n LEU 63 N -4.11 1.29 -2.38 5.20 4.77 -0.09 -4.90 117.00 116.79 1n8j n LEU 63 Ca -0.00 -0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 55.16 1n8j n LEU 63 Cb 0.42 -0.16 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1n8j n LEU 63 CO 0.42 0.32 0.02 0.61 -1.33 0.00 0.00 177.39 177.43 1n8j n GLY 64 N 0.87 -0.22 3.35 -0.72 0.00 -0.59 -4.92 105.19 102.95 1n8j n GLY 64 Ca 0.08 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.04 3.32 0.17 1.61 1.01 0.60 -3.37 120.40 120.70 1n8j s VAL 65 Ca 0.25 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1n8j s VAL 65 Cb -0.11 -2.47 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1n8j s VAL 65 CO 0.31 0.46 0.54 -1.81 0.00 0.00 0.00 175.10 174.60 1n8j s ASP 66 N 1.03 6.75 -0.07 3.32 1.01 -0.41 -3.83 116.67 124.47 1n8j s ASP 66 Ca 0.00 1.01 0.04 0.00 0.71 0.00 0.00 52.55 54.31 1n8j s ASP 66 Cb -0.15 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.51 1n8j s ASP 66 CO -0.00 0.05 -0.20 -0.69 0.21 0.00 0.00 175.17 174.54 1n8j s VAL 67 N -1.57 2.47 -0.14 -1.27 1.01 -1.26 -1.46 120.40 118.18 1n8j s VAL 67 Ca 0.40 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1n8j s VAL 67 Cb -0.14 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1n8j s VAL 67 CO 0.20 0.57 -0.05 -0.31 0.00 0.00 0.00 175.10 175.50 1n8j s TYR 68 N -0.18 1.51 0.15 5.22 1.51 0.32 -3.34 117.35 122.54 1n8j s TYR 68 Ca -0.02 -0.89 -0.14 0.00 -1.01 0.00 0.00 57.07 55.01 1n8j s TYR 68 Cb -0.14 -1.23 -0.07 0.00 -0.11 0.00 0.00 41.96 40.42 1n8j s TYR 68 CO 0.03 -0.56 0.55 -1.54 -1.11 0.00 0.00 175.55 172.92 1n8j s SER 69 N 1.70 6.81 -0.03 2.29 1.04 -0.91 0.11 113.70 124.71 1n8j s SER 69 Ca 0.02 1.07 -0.00 0.00 0.48 0.00 0.00 55.95 57.52 1n8j s SER 69 Cb -0.14 -2.29 0.03 0.00 0.10 0.00 0.00 66.02 63.72 1n8j s SER 69 CO -0.08 0.09 0.02 -0.69 0.98 0.00 0.00 173.24 173.57 1n8j s VAL 70 N -1.48 0.04 0.15 5.02 1.01 0.28 -0.69 120.40 124.72 1n8j s VAL 70 Ca 0.38 0.19 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 1n8j s VAL 70 Cb -0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1n8j s VAL 70 CO 0.19 0.13 0.12 -0.94 0.00 0.00 0.00 175.10 174.60 1n8j s SER 71 N 1.23 0.22 -0.01 3.32 1.04 -1.22 -0.93 113.70 117.35 1n8j s SER 71 Ca -0.07 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.24 1n8j s SER 71 Cb -0.13 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.39 1n8j s SER 71 CO -0.03 -0.79 0.93 0.35 0.98 0.00 0.00 173.24 174.69 1n8j n THR 72 N -0.14 0.13 -1.88 2.02 -2.24 -1.26 -1.04 114.28 109.87 1n8j n THR 72 Ca -0.05 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1n8j n THR 72 Cb 0.64 -0.10 0.09 0.00 -2.10 0.00 0.00 70.33 68.86 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 -0.74 4.42 0.57 3.42 1.01 -1.26 -3.42 116.67 120.67 1n8j s ASP 73 Ca 0.05 0.78 -0.02 0.00 0.71 0.00 0.00 52.55 54.07 1n8j s ASP 73 Cb 0.03 -1.27 0.03 0.00 1.01 0.00 0.00 42.92 42.72 1n8j s ASP 73 CO 0.03 -1.96 0.83 0.42 0.21 0.00 0.00 175.17 174.70 1n8j s THR 74 N -3.57 2.99 0.15 -1.27 -4.23 -1.26 -2.36 115.64 106.09 1n8j s THR 74 Ca 0.62 -0.43 0.31 0.00 -1.18 0.00 0.00 61.69 61.01 1n8j s THR 74 Cb -0.11 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.91 1n8j s THR 74 CO 0.49 -0.14 1.96 1.12 -0.54 0.00 0.00 174.62 177.52 1n8j h HIS 75 N -0.07 0.00 -0.34 3.99 2.07 -1.89 -2.49 115.15 116.43 1n8j h HIS 75 Ca -0.44 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.00 1n8j h HIS 75 Cb 1.29 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO 0.39 0.07 -0.10 0.74 -3.07 0.00 0.00 177.93 175.97 1n8j h PHE 76 N 0.00 0.74 -0.29 6.12 -1.00 -1.96 -2.55 116.94 118.00 1n8j h PHE 76 Ca -0.00 -0.16 -0.05 0.00 2.81 0.00 0.00 57.97 60.57 1n8j h PHE 76 Cb 0.54 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1n8j h PHE 76 CO 0.00 0.83 -0.03 1.15 -1.61 0.00 0.00 178.31 178.65 1n8j h THR 77 N 0.44 1.19 -0.48 -1.55 2.02 -1.83 -2.31 112.91 110.38 1n8j h THR 77 Ca 0.08 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 1n8j h THR 77 Cb 0.60 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1n8j h THR 77 CO 0.04 0.26 -0.06 0.45 0.37 0.00 0.00 175.52 176.57 1n8j h HIS 78 N 0.44 0.99 -0.38 3.16 3.86 -1.36 -1.11 115.15 120.75 1n8j h HIS 78 Ca 0.09 -0.20 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 1n8j h HIS 78 Cb 0.33 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1n8j h HIS 78 CO 0.01 0.95 0.22 -0.22 0.86 0.00 0.00 177.93 179.76 1n8j h LYS 79 N 0.75 0.44 -0.57 2.45 3.11 -1.09 0.23 116.57 121.88 1n8j h LYS 79 Ca 0.13 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 1n8j h LYS 79 Cb 0.60 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.71 1n8j h LYS 79 CO 0.04 0.29 0.23 0.00 -2.81 0.00 0.00 179.45 177.20 1n8j h ALA 80 N 1.17 0.74 -0.51 5.00 0.00 -1.28 -2.69 119.26 121.69 1n8j h ALA 80 Ca 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n8j h ALA 80 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1n8j h ALA 80 CO -0.07 0.36 -0.00 2.35 0.00 0.00 0.00 179.25 181.89 1n8j h TRP 81 N 0.79 0.93 0.00 0.00 7.01 -0.78 -1.14 115.95 122.76 1n8j h TRP 81 Ca 0.19 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 61.05 1n8j h TRP 81 Cb 0.20 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1n8j h TRP 81 CO 0.01 0.85 0.00 1.25 -2.79 0.00 0.00 178.44 177.76 1n8j h HIS 82 N 0.81 0.00 0.02 2.65 2.76 -0.24 -2.05 115.15 119.10 1n8j h HIS 82 Ca 0.15 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.94 1n8j h HIS 82 Cb 0.48 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.39 1n8j h HIS 82 CO 0.03 0.00 -2.22 0.43 -1.30 0.00 0.00 177.93 174.87 1n8j n SER 83 N -2.30 1.98 0.21 3.26 7.64 -0.52 -3.56 113.62 120.33 1n8j n SER 83 Ca -0.00 0.19 0.14 0.00 1.01 0.00 0.00 58.87 60.20 1n8j n SER 83 Cb 0.11 -0.73 0.41 0.00 -1.01 0.00 0.00 64.21 62.99 1n8j n SER 83 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1n8j h SER 84 N -0.52 0.00 -3.32 6.43 4.64 -1.10 -3.44 113.55 116.24 1n8j h SER 84 Ca -0.56 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.11 1n8j h SER 84 Cb 1.72 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.55 1n8j h SER 84 CO -0.20 0.00 -0.74 -0.55 -0.87 0.00 0.00 176.83 174.46 1n8j s SER 85 N -5.55 4.18 0.19 4.97 0.15 -0.79 -4.99 113.70 111.86 1n8j s SER 85 Ca 0.05 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.29 1n8j s SER 85 Cb 0.08 -1.65 0.11 0.00 -1.71 0.00 0.00 66.02 62.84 1n8j s SER 85 CO 0.58 0.15 1.78 -0.33 1.20 0.00 0.00 173.24 176.62 1n8j h GLU 86 N 6.86 0.95 -0.16 5.44 4.39 -1.89 0.22 114.58 130.39 1n8j h GLU 86 Ca -0.29 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1n8j h GLU 86 Cb 1.20 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1n8j h GLU 86 CO 0.58 0.76 0.02 1.79 -1.16 0.00 0.00 179.01 181.00 1n8j h THR 87 N 0.92 1.22 -0.27 1.13 1.35 -1.95 -3.03 112.91 112.28 1n8j h THR 87 Ca 0.23 -0.72 -0.08 0.00 -0.55 0.00 0.00 66.41 65.29 1n8j h THR 87 Cb 0.12 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 1n8j h THR 87 CO -0.03 0.21 -0.18 0.40 -0.25 0.00 0.00 175.52 175.67 1n8j h ILE 88 N 0.05 1.24 0.00 6.82 1.08 -1.81 -2.70 117.51 122.19 1n8j h ILE 88 Ca 0.05 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1n8j h ILE 88 Cb 0.31 1.24 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1n8j h ILE 88 CO 0.00 0.36 0.07 0.00 -0.69 0.00 0.00 178.15 177.90 1n8j h ALA 89 N 1.38 1.05 0.00 1.87 0.00 -0.44 -1.14 119.26 121.98 1n8j h ALA 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1n8j h ALA 89 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1n8j h ALA 89 CO 0.04 -0.05 -0.71 0.36 0.00 0.00 0.00 179.25 178.88 1n8j n LYS 90 N -2.34 0.02 -1.81 0.00 2.85 -1.02 -4.91 118.16 110.95 1n8j n LYS 90 Ca -0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 1n8j n LYS 90 Cb 0.11 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -3.01 2.50 -0.48 0.58 1.01 -0.43 -4.88 121.20 116.48 1n8j s ILE 91 Ca 0.09 0.22 0.06 0.00 0.00 0.00 0.00 60.65 61.02 1n8j s ILE 91 Cb 0.17 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.48 1n8j s ILE 91 CO 0.77 0.01 0.42 0.29 0.00 0.00 0.00 174.94 176.43 1n8j n LYS 92 N 4.73 3.07 -2.54 2.79 5.02 -1.26 -4.75 118.16 125.22 1n8j n LYS 92 Ca 0.16 -0.35 -0.22 0.00 -2.02 0.00 0.00 58.31 55.88 1n8j n LYS 92 Cb 0.38 -0.91 0.06 0.00 -0.02 0.00 0.00 35.03 34.54 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 -1.14 2.64 0.01 2.13 -0.85 -1.26 -4.68 117.35 114.20 1n8j s TYR 93 Ca 0.04 0.03 -0.30 0.00 -0.52 0.00 0.00 57.07 56.32 1n8j s TYR 93 Cb 0.05 -2.89 -0.05 0.00 0.38 0.00 0.00 41.96 39.45 1n8j s TYR 93 CO 0.17 -1.13 1.28 0.00 -1.52 0.00 0.00 175.55 174.35 1n8j s ALA 94 N -2.93 3.50 -0.39 9.51 0.00 -1.21 -4.70 121.76 125.55 1n8j s ALA 94 Ca 0.60 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1n8j s ALA 94 Cb -0.09 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1n8j s ALA 94 CO 0.41 -0.71 0.26 -1.64 0.00 0.00 0.00 175.76 174.08 1n8j s MET 95 N 1.86 3.05 0.04 0.00 1.00 0.83 -2.13 119.30 123.95 1n8j s MET 95 Ca 0.60 -0.95 -0.16 0.00 0.00 0.00 0.00 55.69 55.18 1n8j s MET 95 Cb -0.29 -3.88 -0.06 0.00 0.00 0.00 0.00 34.83 30.60 1n8j s MET 95 CO 0.26 -0.67 0.47 0.42 0.00 0.00 0.00 175.02 175.50 1n8j s ILE 96 N 1.66 4.93 -0.19 2.53 1.01 0.13 0.57 121.20 131.84 1n8j s ILE 96 Ca 0.05 0.94 -0.09 0.00 0.00 0.00 0.00 60.65 61.54 1n8j s ILE 96 Cb -0.19 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1n8j s ILE 96 CO 0.09 0.53 0.12 -0.83 0.00 0.00 0.00 174.94 174.86 1n8j s GLY 97 N -1.17 2.03 -0.46 6.18 0.00 -0.14 -3.45 107.32 110.31 1n8j s GLY 97 Ca 0.27 -0.69 0.08 0.00 0.00 0.00 0.00 44.72 44.37 1n8j s GLY 97 CO 0.16 0.07 0.98 1.34 0.00 0.00 0.00 173.10 175.65 1n8j n ASP 98 N 3.36 3.61 -0.01 1.64 2.03 -0.20 -4.22 116.55 122.76 1n8j n ASP 98 Ca -0.16 -3.46 0.19 0.00 0.52 0.00 0.00 54.79 51.87 1n8j n ASP 98 Cb 0.52 -0.53 0.66 0.00 -0.72 0.00 0.00 41.12 41.05 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 2.84 0.06 0.00 -0.67 0.13 -1.67 -0.13 132.00 132.56 1n8j h PRO 99 Ca 0.15 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1n8j h PRO 99 Cb 0.82 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1n8j h PRO 99 CO 0.74 0.04 -0.16 1.79 -0.23 0.00 0.00 178.00 180.18 1n8j h THR 100 N 0.06 0.26 0.00 1.56 1.35 -1.92 -3.47 112.91 110.76 1n8j h THR 100 Ca 0.25 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1n8j h THR 100 Cb 0.92 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1n8j h THR 100 CO -0.02 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 1n8j n GLY 101 N 1.14 0.66 0.52 5.82 0.00 -0.06 -4.96 105.19 108.30 1n8j n GLY 101 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.34 -0.78 4.61 0.00 -1.91 0.16 119.26 120.00 1n8j h ALA 102 Ca 0.00 -0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.78 1n8j h ALA 102 Cb 0.00 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 1n8j h ALA 102 CO 0.00 -1.25 0.32 1.25 0.00 0.00 0.00 179.25 179.57 1n8j h LEU 103 N -1.29 0.30 -0.44 0.00 6.46 -1.92 0.31 115.31 118.74 1n8j h LEU 103 Ca -0.13 0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1n8j h LEU 103 Cb 1.00 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.99 1n8j h LEU 103 CO 0.20 0.11 0.12 0.74 -0.62 0.00 0.00 178.44 178.98 1n8j h THR 104 N 0.46 1.23 -0.11 1.05 2.02 -1.87 -2.54 112.91 113.14 1n8j h THR 104 Ca 0.43 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 1n8j h THR 104 Cb 0.66 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1n8j h THR 104 CO -0.41 0.28 -0.30 0.03 0.37 0.00 0.00 175.52 175.48 1n8j h ARG 105 N 0.58 0.22 -0.70 6.66 3.08 0.77 -1.20 114.38 123.79 1n8j h ARG 105 Ca 0.14 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1n8j h ARG 105 Cb 0.30 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1n8j h ARG 105 CO -0.00 0.51 0.46 -0.91 -1.07 0.00 0.00 179.97 178.96 1n8j h ASN 106 N 0.19 0.67 -0.45 7.04 2.35 -0.03 0.14 115.58 125.48 1n8j h ASN 106 Ca 0.03 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1n8j h ASN 106 Cb 0.64 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1n8j h ASN 106 CO 0.05 0.44 0.02 0.49 -1.65 0.00 0.00 177.43 176.78 1n8j n PHE 107 N -4.47 1.64 -4.29 1.19 3.72 -0.89 -4.85 117.46 109.50 1n8j n PHE 107 Ca 0.10 -0.60 -0.34 0.00 -0.05 0.00 0.00 57.45 56.56 1n8j n PHE 107 Cb 0.19 -0.44 -0.06 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 0.42 -0.95 -0.73 4.37 2.03 0.04 -4.85 116.55 116.88 1n8j n ASP 108 Ca 0.22 -1.16 0.06 0.00 0.52 0.00 0.00 54.79 54.43 1n8j n ASP 108 Cb 1.00 -2.13 0.16 0.00 -0.72 0.00 0.00 41.12 39.44 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.74 1.59 -4.72 1.67 4.05 -0.50 -5.02 115.26 109.58 1n8j n ASN 109 Ca -0.12 -3.44 -0.35 0.00 0.45 0.00 0.00 54.58 51.12 1n8j n ASN 109 Cb 0.59 -0.47 -0.08 0.00 1.23 0.00 0.00 39.78 41.04 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 -2.52 4.17 -0.81 1.20 1.75 -1.26 -1.62 119.30 120.22 1n8j s MET 110 Ca 0.36 -0.23 -0.20 0.00 -1.25 0.00 0.00 55.69 54.37 1n8j s MET 110 Cb 0.36 -3.44 0.11 0.00 2.84 0.00 0.00 34.83 34.70 1n8j s MET 110 CO -0.08 0.26 1.03 1.03 -0.65 0.00 0.00 175.02 176.62 1n8j s ARG 111 N 0.47 3.38 0.30 4.11 0.52 -0.04 -4.91 118.95 122.78 1n8j s ARG 111 Ca 0.08 -1.40 0.06 0.00 -0.52 0.00 0.00 55.73 53.96 1n8j s ARG 111 Cb -0.11 -4.62 0.77 0.00 0.52 0.00 0.00 34.95 31.50 1n8j s ARG 111 CO -0.01 -1.77 1.75 0.93 0.02 0.00 0.00 175.30 176.22 1n8j h GLU 112 N 9.13 0.62 0.00 3.54 4.39 -1.95 -0.29 114.58 130.02 1n8j h GLU 112 Ca -0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1n8j h GLU 112 Cb 1.05 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1n8j h GLU 112 CO 1.13 0.41 0.00 -0.40 -1.16 0.00 0.00 179.01 179.00 1n8j n ASP 113 N -4.86 0.00 0.00 1.42 5.75 -1.26 -3.30 116.55 114.31 1n8j n ASP 113 Ca 0.24 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 1n8j n ASP 113 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 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 -0.97 2.27 -1.13 0.11 1.02 -0.30 -5.01 120.64 116.63 1n8j n GLU 114 Ca 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1n8j n GLU 114 Cb 0.07 -0.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 1n8j n GLU 114 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 115 N 1.75 0.73 3.38 0.62 0.00 -0.28 -5.02 105.19 106.38 1n8j n GLY 115 Ca 0.00 -0.86 -0.26 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 -1.05 2.39 0.44 0.99 1.43 -1.23 -4.78 118.68 116.87 1n8j s LEU 116 Ca 0.00 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.10 1n8j s LEU 116 Cb 0.00 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 45.02 1n8j s LEU 116 CO 0.00 0.11 0.93 0.00 0.23 0.00 0.00 176.35 177.62 1n8j s ALA 117 N -1.50 3.08 0.70 4.21 0.00 -1.26 -0.86 121.76 126.13 1n8j s ALA 117 Ca 0.16 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1n8j s ALA 117 Cb -0.08 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1n8j s ALA 117 CO 0.08 0.07 1.07 -0.51 0.00 0.00 0.00 175.76 176.47 1n8j s ASP 118 N -2.40 5.39 -0.70 0.00 -0.00 -0.64 -2.97 116.67 115.35 1n8j s ASP 118 Ca 0.60 1.04 -0.27 0.00 -0.00 0.00 0.00 52.55 53.92 1n8j s ASP 118 Cb -0.09 -1.84 0.01 0.00 -0.00 0.00 0.00 42.92 41.00 1n8j s ASP 118 CO 0.18 -1.35 1.50 -0.13 -0.00 0.00 0.00 175.17 175.38 1n8j s ARG 119 N -5.32 2.99 0.00 8.23 0.52 -1.25 -4.06 118.95 120.05 1n8j s ARG 119 Ca 0.58 0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.82 1n8j s ARG 119 Cb -0.11 -4.30 -0.01 0.00 0.52 0.00 0.00 34.95 31.06 1n8j s ARG 119 CO 0.51 -2.38 0.01 0.00 0.02 0.00 0.00 175.30 173.45 1n8j s ALA 120 N 6.99 -0.00 0.00 2.13 0.00 -1.06 -1.16 121.76 128.67 1n8j s ALA 120 Ca 0.47 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.34 1n8j s ALA 120 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 1n8j s ALA 120 CO 0.16 -0.07 -0.22 0.99 0.00 0.00 0.00 175.76 176.62 1n8j s THR 121 N -0.54 1.75 -0.07 0.00 2.01 0.17 -0.08 115.64 118.89 1n8j s THR 121 Ca -0.06 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1n8j s THR 121 Cb -0.04 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1n8j s THR 121 CO -0.00 0.41 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.90 1n8j s PHE 122 N -0.61 1.10 -0.30 4.92 0.40 -0.31 -1.66 117.98 121.51 1n8j s PHE 122 Ca 0.09 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 1n8j s PHE 122 Cb -0.09 -0.92 -0.03 0.00 0.51 0.00 0.00 43.02 42.50 1n8j s PHE 122 CO 0.00 -0.30 0.19 0.08 0.70 0.00 0.00 175.22 175.89 1n8j s VAL 123 N 1.12 5.06 -0.15 -0.44 1.01 -0.52 -0.84 120.40 125.64 1n8j s VAL 123 Ca -0.07 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1n8j s VAL 123 Cb -0.14 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1n8j s VAL 123 CO -0.01 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.35 1n8j s VAL 124 N 1.70 2.28 0.98 2.92 1.01 0.20 0.14 120.40 129.63 1n8j s VAL 124 Ca 0.06 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 61.01 1n8j s VAL 124 Cb -0.17 -1.94 0.18 0.00 0.00 0.00 0.00 36.38 34.45 1n8j s VAL 124 CO 0.09 0.53 1.14 1.51 0.00 0.00 0.00 175.10 178.37 1n8j s ASP 125 N 0.93 2.87 0.27 3.32 1.47 -0.42 0.53 116.67 125.63 1n8j s ASP 125 Ca -0.04 0.91 0.16 0.00 1.18 0.00 0.00 52.55 54.76 1n8j s ASP 125 Cb -0.15 -1.42 0.87 0.00 -0.34 0.00 0.00 42.92 41.88 1n8j s ASP 125 CO -0.03 -2.95 1.46 -2.65 0.68 0.00 0.00 175.17 171.68 1n8j n PRO 126 N -4.02 0.10 0.00 2.11 -0.02 -1.11 -0.81 135.00 131.26 1n8j n PRO 126 Ca 0.08 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 1n8j n PRO 126 Cb 0.59 -1.92 0.32 0.00 -0.02 0.00 0.00 33.50 32.46 1n8j n PRO 126 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n8j n GLN 127 N -2.07 1.40 -0.58 -0.52 3.00 -1.26 -1.76 117.38 115.58 1n8j n GLN 127 Ca -0.01 -0.95 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1n8j n GLN 127 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 1.30 0.72 3.76 1.08 0.00 0.01 -4.93 105.19 107.14 1n8j n GLY 128 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.18 4.77 -0.44 -0.61 -1.09 -1.26 -0.55 121.20 119.84 1n8j s ILE 129 Ca 0.00 1.41 -0.29 0.00 -2.23 0.00 0.00 60.65 59.54 1n8j s ILE 129 Cb 0.00 -4.01 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1n8j s ILE 129 CO 0.00 0.43 1.13 -0.63 -1.23 0.00 0.00 174.94 174.64 1n8j s ILE 130 N -0.37 4.26 -0.10 2.92 1.01 -0.50 -1.30 121.20 127.13 1n8j s ILE 130 Ca 0.34 1.33 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1n8j s ILE 130 Cb -0.20 -4.56 -0.24 0.00 0.01 0.00 0.00 42.46 37.48 1n8j s ILE 130 CO 0.20 -0.90 0.45 0.00 0.00 0.00 0.00 174.94 174.70 1n8j n GLN 131 N 7.65 0.66 -3.85 2.79 1.13 0.12 -0.54 117.38 125.34 1n8j n GLN 131 Ca 0.12 0.22 -0.12 0.00 -1.94 0.00 0.00 57.00 55.28 1n8j n GLN 131 Cb 0.49 -1.71 -0.12 0.00 0.11 0.00 0.00 30.24 29.01 1n8j n GLN 131 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1n8j s ALA 132 N -2.57 -0.30 -0.04 -1.58 0.00 -1.19 -4.88 121.76 111.21 1n8j s ALA 132 Ca -0.10 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.04 1n8j s ALA 132 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1n8j s ALA 132 CO 0.81 -0.11 -0.08 0.42 0.00 0.00 0.00 175.76 176.79 1n8j s ILE 133 N -0.47 0.77 -0.06 0.00 1.01 -1.26 -1.44 121.20 119.73 1n8j s ILE 133 Ca -0.06 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.29 1n8j s ILE 133 Cb -0.04 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1n8j s ILE 133 CO 0.01 0.26 -0.05 -0.70 0.00 0.00 0.00 174.94 174.45 1n8j s GLU 134 N 0.46 1.03 -0.04 2.79 2.12 -0.66 -4.99 118.70 119.42 1n8j s GLU 134 Ca -0.07 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.11 1n8j s GLU 134 Cb -0.11 -1.08 0.03 0.00 0.26 0.00 0.00 34.13 33.23 1n8j s GLU 134 CO 0.01 -0.14 0.03 0.08 -0.54 0.00 0.00 175.26 174.70 1n8j s VAL 135 N 1.22 0.06 0.21 3.70 1.01 -1.26 0.43 120.40 125.77 1n8j s VAL 135 Ca -0.06 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.23 1n8j s VAL 135 Cb -0.14 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1n8j s VAL 135 CO -0.02 0.16 -0.15 0.42 0.00 0.00 0.00 175.10 175.52 1n8j s THR 136 N 1.56 1.77 0.96 3.92 -4.23 -0.31 -5.01 115.64 114.30 1n8j s THR 136 Ca -0.02 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.15 1n8j s THR 136 Cb -0.13 -2.05 0.17 0.00 1.34 0.00 0.00 72.50 71.83 1n8j s THR 136 CO -0.03 -0.59 1.09 0.00 -0.54 0.00 0.00 174.62 174.55 1n8j s ALA 137 N -2.95 1.07 0.17 3.99 0.00 -1.26 -3.91 121.76 118.87 1n8j s ALA 137 Ca 0.23 0.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.96 1n8j s ALA 137 Cb -0.01 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 1n8j s ALA 137 CO 0.07 -2.77 1.55 1.49 0.00 0.00 0.00 175.76 176.10 1n8j h GLU 138 N -1.86 -0.14 -0.88 0.00 4.57 -2.00 -2.24 114.58 112.02 1n8j h GLU 138 Ca -0.51 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.63 1n8j h GLU 138 Cb 1.29 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 1n8j h GLU 138 CO 0.51 -0.10 0.06 0.41 -1.18 0.00 0.00 179.01 178.71 1n8j n GLY 139 N -1.35 2.28 3.11 1.92 0.00 -1.26 -4.77 105.19 105.11 1n8j n GLY 139 Ca 0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.58 2.41 0.60 -0.61 1.01 -0.85 -5.11 121.20 117.07 1n8j s ILE 140 Ca 0.21 -1.49 -0.16 0.00 0.00 0.00 0.00 60.65 59.21 1n8j s ILE 140 Cb 0.17 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1n8j s ILE 140 CO 0.06 0.01 1.09 -0.83 0.00 0.00 0.00 174.94 175.27 1n8j s GLY 141 N 1.17 2.26 0.30 6.18 0.00 -1.26 -4.64 107.32 111.33 1n8j s GLY 141 Ca -0.07 0.55 -0.00 0.00 0.00 0.00 0.00 44.72 45.20 1n8j s GLY 141 CO -0.05 0.89 0.51 0.50 0.00 0.00 0.00 173.10 174.95 1n8j s ARG 142 N -3.87 3.52 -0.29 2.90 0.52 -1.26 -5.09 118.95 115.38 1n8j s ARG 142 Ca 0.67 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 55.51 1n8j s ARG 142 Cb -0.19 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.57 1n8j s ARG 142 CO 0.36 0.23 0.08 0.34 0.02 0.00 0.00 175.30 176.32 1n8j s ASP 143 N -3.70 5.14 0.20 0.23 2.15 -1.26 -4.87 116.67 114.57 1n8j s ASP 143 Ca 0.40 -0.59 -0.05 0.00 0.43 0.00 0.00 52.55 52.74 1n8j s ASP 143 Cb -0.10 -1.90 0.15 0.00 -0.30 0.00 0.00 42.92 40.77 1n8j s ASP 143 CO 0.33 -0.16 1.60 0.00 -0.17 0.00 0.00 175.17 176.77 1n8j h ALA 144 N 8.24 0.82 -0.96 3.66 0.00 -1.93 -3.00 119.26 126.09 1n8j h ALA 144 Ca -0.33 -0.40 0.08 0.00 0.00 0.00 0.00 54.91 54.26 1n8j h ALA 144 Cb 1.14 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1n8j h ALA 144 CO 0.60 0.64 0.61 0.66 0.00 0.00 0.00 179.25 181.76 1n8j h SER 145 N 0.66 0.95 0.00 0.00 4.64 -1.95 -0.60 113.55 117.26 1n8j h SER 145 Ca 0.08 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 1n8j h SER 145 Cb 0.81 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1n8j h SER 145 CO 0.07 0.59 -0.26 -0.78 -0.87 0.00 0.00 176.83 175.58 1n8j h ASP 146 N 1.08 0.41 -0.08 4.97 3.58 -1.97 -0.95 116.42 123.46 1n8j h ASP 146 Ca 0.43 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 1n8j h ASP 146 Cb 0.24 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 1n8j h ASP 146 CO -0.19 0.66 0.03 0.25 -2.88 0.00 0.00 179.24 177.11 1n8j h LEU 147 N 0.36 0.10 -1.34 2.28 5.85 -1.03 -1.84 115.31 119.69 1n8j h LEU 147 Ca 0.05 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.68 1n8j h LEU 147 Cb 0.65 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1n8j h LEU 147 CO 0.05 0.24 0.50 -0.07 -0.34 0.00 0.00 178.44 178.82 1n8j h LEU 148 N -0.04 0.70 -0.10 2.25 3.38 -0.88 0.05 115.31 120.68 1n8j h LEU 148 Ca 0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1n8j h LEU 148 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1n8j h LEU 148 CO -0.00 0.45 -0.09 -0.09 0.09 0.00 0.00 178.44 178.79 1n8j h ARG 149 N 0.80 -0.11 -0.13 1.13 2.43 -0.61 -1.68 114.38 116.21 1n8j h ARG 149 Ca 0.33 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.41 1n8j h ARG 149 Cb 0.27 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1n8j h ARG 149 CO -0.12 -0.07 -0.36 0.87 -1.51 0.00 0.00 179.97 178.78 1n8j h LYS 150 N -0.11 0.27 -0.53 0.20 1.57 -0.42 -2.52 116.57 115.02 1n8j h LYS 150 Ca 0.07 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1n8j h LYS 150 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1n8j h LYS 150 CO -0.17 0.60 -0.08 0.82 -0.57 0.00 0.00 179.45 180.06 1n8j h ILE 151 N 0.23 1.26 -0.18 1.86 2.04 -0.68 0.46 117.51 122.50 1n8j h ILE 151 Ca 0.03 -1.21 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 1n8j h ILE 151 Cb 0.75 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1n8j h ILE 151 CO 0.06 0.43 -0.40 0.11 0.00 0.00 0.00 178.15 178.34 1n8j h LYS 152 N 0.88 0.41 -0.19 2.37 1.57 -1.19 -1.59 116.57 118.82 1n8j h LYS 152 Ca 0.14 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1n8j h LYS 152 Cb 0.62 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1n8j h LYS 152 CO 0.04 0.75 -0.42 0.00 -0.57 0.00 0.00 179.45 179.25 1n8j h ALA 153 N 1.23 0.31 -0.68 3.86 0.00 -1.19 -2.03 119.26 120.76 1n8j h ALA 153 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1n8j h ALA 153 Cb 0.86 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1n8j h ALA 153 CO 0.07 0.42 0.30 0.00 0.00 0.00 0.00 179.25 180.05 1n8j h ALA 154 N 0.59 1.25 -0.00 0.00 0.00 -0.80 -2.32 119.26 117.97 1n8j h ALA 154 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1n8j h ALA 154 Cb 1.02 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1n8j h ALA 154 CO 0.09 0.56 -0.60 1.96 0.00 0.00 0.00 179.25 181.26 1n8j h GLN 155 N 0.97 0.01 0.24 0.00 4.20 -1.24 -2.15 115.11 117.14 1n8j h GLN 155 Ca 0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1n8j h GLN 155 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1n8j h GLN 155 CO -0.03 0.61 -0.11 -0.92 -0.67 0.00 0.00 178.83 177.71 1n8j h TYR 156 N 0.01 -0.29 -0.04 2.96 3.20 -0.84 -1.50 116.97 120.46 1n8j h TYR 156 Ca -0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1n8j h TYR 156 Cb 1.07 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1n8j h TYR 156 CO 0.00 0.04 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.04 1n8j h VAL 157 N -0.67 1.12 -0.69 1.81 -1.51 -1.49 0.10 116.25 114.93 1n8j h VAL 157 Ca -0.03 -0.57 -0.06 0.00 -1.23 0.00 0.00 66.70 64.80 1n8j h VAL 157 Cb 0.47 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 30.84 1n8j h VAL 157 CO 0.05 0.17 0.18 0.00 -1.23 0.00 0.00 177.57 176.74 1n8j h ALA 158 N 1.80 1.01 -0.51 5.19 0.00 -1.24 -2.71 119.26 122.80 1n8j h ALA 158 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1n8j h ALA 158 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n8j h ALA 158 CO 0.02 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1n8j n ALA 159 N -2.46 2.42 -3.08 0.00 0.00 -0.57 -4.54 120.51 112.29 1n8j n ALA 159 Ca 0.05 -0.94 -0.18 0.00 0.00 0.00 0.00 53.44 52.37 1n8j n ALA 159 Cb 0.25 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N 1.09 -0.90 -1.60 0.00 -0.00 -0.08 -5.04 115.22 108.68 1n8j n HIS 160 Ca 0.18 -3.23 -0.47 0.00 -0.00 0.00 0.00 57.72 54.20 1n8j n HIS 160 Cb 0.46 0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.54 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 0.99 1.40 0.00 -0.41 -0.02 -1.24 -0.97 135.00 134.76 1n8j n PRO 161 Ca 0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1n8j n PRO 161 Cb 0.60 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.97 2.43 3.79 -1.23 0.00 -1.26 -5.05 105.19 105.82 1n8j n GLY 162 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.91 2.86 0.04 1.61 2.02 -0.14 -3.35 118.70 120.84 1n8j s GLU 163 Ca 0.00 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1n8j s GLU 163 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 1n8j s GLU 163 CO 0.00 0.50 -0.05 0.14 0.02 0.00 0.00 175.26 175.87 1n8j s VAL 164 N -1.69 0.34 -0.26 2.63 -7.23 -0.52 -4.80 120.40 108.87 1n8j s VAL 164 Ca 0.30 -1.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.08 1n8j s VAL 164 Cb -0.10 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.96 1n8j s VAL 164 CO 0.23 -0.63 0.11 0.00 -0.31 0.00 0.00 175.10 174.49 1n8j s PRO 166 N 1.62 -0.55 0.54 0.00 0.02 -1.26 -4.93 135.00 130.44 1n8j s PRO 166 Ca 0.06 -0.34 -0.20 0.00 0.02 0.00 0.00 61.00 60.55 1n8j s PRO 166 Cb -0.15 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.59 1n8j s PRO 166 CO 0.06 -3.22 0.81 0.00 -0.33 0.00 0.00 177.00 174.32 1n8j n ALA 167 N -4.35 -0.34 -3.76 -1.55 0.00 -1.26 -3.07 120.51 106.17 1n8j n ALA 167 Ca 0.16 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1n8j n ALA 167 Cb 0.59 -1.99 0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 -0.36 -1.00 -3.90 0.00 5.02 -1.26 -4.95 118.16 111.71 1n8j n LYS 168 Ca 0.12 0.38 -0.36 0.00 -2.02 0.00 0.00 58.31 56.43 1n8j n LYS 168 Cb 0.45 -3.78 -0.07 0.00 -0.02 0.00 0.00 35.03 31.61 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 -3.47 3.46 0.05 2.13 -0.00 -1.18 -5.09 118.94 114.84 1n8j s TRP 169 Ca 0.48 0.38 0.04 0.00 -0.00 0.00 0.00 56.10 57.00 1n8j s TRP 169 Cb -0.19 -2.01 -0.02 0.00 -0.00 0.00 0.00 33.47 31.24 1n8j s TRP 169 CO 0.88 0.51 -0.12 0.15 -0.00 0.00 0.00 176.95 178.38 1n8j s LYS 170 N -0.42 0.72 -0.46 5.86 1.02 -1.26 -4.92 119.74 120.27 1n8j s LYS 170 Ca 0.11 -0.81 -0.35 0.00 0.02 0.00 0.00 55.97 54.95 1n8j s LYS 170 Cb -0.12 -0.65 -0.13 0.00 -0.52 0.00 0.00 37.83 36.42 1n8j s LYS 170 CO 0.02 0.14 2.28 0.39 -0.92 0.00 0.00 175.35 177.26 1n8j n GLU 171 N 1.55 0.82 0.00 1.68 1.02 -1.26 -1.84 120.64 122.61 1n8j n GLU 171 Ca -0.21 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1n8j n GLU 171 Cb 0.55 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 172 N 6.58 1.54 3.66 0.62 0.00 -1.26 -5.14 105.19 111.21 1n8j n GLY 172 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.13 2.04 -0.06 1.61 2.02 -0.76 -5.09 118.70 118.32 1n8j s GLU 173 Ca 0.00 -2.12 -0.30 0.00 0.02 0.00 0.00 54.97 52.57 1n8j s GLU 173 Cb 0.00 -1.67 -0.06 0.00 0.10 0.00 0.00 34.13 32.50 1n8j s GLU 173 CO 0.00 -0.12 1.69 0.00 0.02 0.00 0.00 175.26 176.85 1n8j s ALA 174 N -2.73 3.58 0.20 5.21 0.00 -1.26 -4.96 121.76 121.80 1n8j s ALA 174 Ca 0.31 0.94 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1n8j s ALA 174 Cb 0.08 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.46 1n8j s ALA 174 CO 0.16 -1.48 0.24 0.25 0.00 0.00 0.00 175.76 174.94 1n8j n THR 175 N 5.59 0.00 -4.37 0.00 -2.24 -1.26 -4.73 114.28 107.26 1n8j n THR 175 Ca 0.18 -0.72 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1n8j n THR 175 Cb 0.43 -0.67 -0.11 0.00 -2.10 0.00 0.00 70.33 67.88 1n8j n THR 175 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8j s LEU 176 N 0.00 2.65 -0.40 3.22 1.43 -0.37 -4.98 118.68 120.23 1n8j s LEU 176 Ca 0.19 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1n8j s LEU 176 Cb -0.01 -1.37 0.11 0.00 0.03 0.00 0.00 46.19 44.95 1n8j s LEU 176 CO 0.12 0.12 0.14 0.00 0.23 0.00 0.00 176.35 176.95 1n8j s ALA 177 N -1.67 2.69 -0.32 4.21 0.00 -1.26 -1.44 121.76 123.96 1n8j s ALA 177 Ca 0.22 -2.61 -0.36 0.00 0.00 0.00 0.00 51.96 49.22 1n8j s ALA 177 Cb -0.08 -1.96 -0.12 0.00 0.00 0.00 0.00 23.12 20.96 1n8j s ALA 177 CO 0.12 -1.83 2.13 -2.30 0.00 0.00 0.00 175.76 173.88 1n8j n PRO 178 N 3.93 1.16 -4.25 0.00 -0.02 -1.21 -4.92 135.00 129.69 1n8j n PRO 178 Ca 0.04 0.34 -0.17 0.00 -2.02 0.00 0.00 63.50 61.69 1n8j n PRO 178 Cb 0.38 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.34 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 6.76 1.20 0.17 2.55 1.04 -1.26 -5.04 113.70 119.11 1n8j s SER 179 Ca 1.07 -1.64 0.16 0.00 0.48 0.00 0.00 55.95 56.03 1n8j s SER 179 Cb -0.87 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1n8j s SER 179 CO 0.51 -1.01 1.13 0.25 0.98 0.00 0.00 173.24 175.10 1n8j h LEU 180 N 2.28 0.00 -0.23 2.42 6.46 -1.98 -3.30 115.31 120.95 1n8j h LEU 180 Ca -0.28 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.30 1n8j h LEU 180 Cb 1.24 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 1n8j h LEU 180 CO 0.41 0.52 -0.85 -0.78 -0.62 0.00 0.00 178.44 177.12 1n8j h ASP 181 N 0.00 0.00 1.75 1.25 1.82 -1.97 -3.20 116.42 116.07 1n8j h ASP 181 Ca -0.08 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1n8j h ASP 181 Cb 1.47 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.48 1n8j h ASP 181 CO 0.05 0.85 -0.05 0.25 -1.61 0.00 0.00 179.24 178.74 1n8j h LEU 182 N 0.00 0.00 -9.33 2.28 6.46 -1.92 -3.44 115.31 109.35 1n8j h LEU 182 Ca -0.01 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.16 1n8j h LEU 182 Cb 1.54 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.49 1n8j h LEU 182 CO 0.11 0.05 1.11 0.52 -0.62 0.00 0.00 178.44 179.60 1n8j n VAL 183 N -3.12 0.56 0.00 1.05 0.31 -1.21 -1.63 118.33 114.28 1n8j n VAL 183 Ca 0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1n8j n VAL 183 Cb 0.50 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 4.34 1.84 0.07 2.92 0.00 -1.26 -4.92 105.19 108.18 1n8j n GLY 184 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 2.81 0.00 0.00 1.61 1.57 -1.60 -3.55 116.57 117.40 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 0.67 0.00 -0.89 -0.57 0.00 0.00 179.45 178.66