#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 1.85 -4.66 1.04 4.77 -1.26 -4.95 117.00 113.80 1n8j n LEU 2 Ca 0.00 -0.83 -0.46 0.00 -0.03 0.00 0.00 56.01 54.69 1n8j n LEU 2 Cb 0.00 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1n8j n LEU 2 CO 0.00 0.42 1.04 0.00 -1.33 0.00 0.00 177.39 177.52 1n8j n ILE 3 N 0.46 0.54 -1.87 -0.08 0.13 -1.26 -1.46 119.36 115.82 1n8j n ILE 3 Ca 0.15 -0.13 -0.13 0.00 -1.10 0.00 0.00 62.75 61.53 1n8j n ILE 3 Cb 0.34 -1.38 -0.03 0.00 -0.84 0.00 0.00 39.64 37.72 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 2.60 -4.35 -4.55 9.51 4.05 -0.03 -4.99 115.26 117.50 1n8j n ASN 4 Ca 0.14 0.14 -0.26 0.00 0.45 0.00 0.00 54.58 55.05 1n8j n ASN 4 Cb 0.29 -3.31 -0.09 0.00 1.23 0.00 0.00 39.78 37.89 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 -2.59 3.03 0.20 -0.44 -4.23 -0.53 -4.83 115.64 106.24 1n8j s THR 5 Ca 0.00 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 1n8j s THR 5 Cb 0.00 -2.51 -0.08 0.00 1.34 0.00 0.00 72.50 71.24 1n8j s THR 5 CO 0.00 -0.17 0.95 -0.75 -0.54 0.00 0.00 174.62 174.12 1n8j s LYS 6 N -2.96 4.81 0.50 3.99 2.20 -1.26 -2.09 119.74 124.93 1n8j s LYS 6 Ca 0.25 1.49 -0.22 0.00 -0.36 0.00 0.00 55.97 57.14 1n8j s LYS 6 Cb -0.08 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.87 1n8j s LYS 6 CO 0.15 0.42 1.21 0.96 -0.36 0.00 0.00 175.35 177.72 1n8j s ILE 7 N -0.83 2.84 0.42 5.43 -4.36 -0.40 -4.98 121.20 119.33 1n8j s ILE 7 Ca 0.43 0.61 -0.08 0.00 -0.26 0.00 0.00 60.65 61.35 1n8j s ILE 7 Cb -0.25 -3.29 -0.05 0.00 1.25 0.00 0.00 42.46 40.11 1n8j s ILE 7 CO 0.32 -0.03 0.75 -0.54 0.24 0.00 0.00 174.94 175.67 1n8j s LYS 8 N -2.88 3.67 0.61 0.37 1.02 -1.26 -5.04 119.74 116.23 1n8j s LYS 8 Ca 0.68 0.31 -0.19 0.00 0.02 0.00 0.00 55.97 56.79 1n8j s LYS 8 Cb -0.31 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.56 1n8j s LYS 8 CO 0.36 -0.07 1.25 -1.25 -0.92 0.00 0.00 175.35 174.72 1n8j s PRO 9 N -4.16 2.80 0.21 -1.68 0.04 -1.26 -4.86 135.00 126.09 1n8j s PRO 9 Ca 0.49 1.95 -0.18 0.00 0.04 0.00 0.00 61.00 63.29 1n8j s PRO 9 Cb -0.10 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1n8j s PRO 9 CO 0.36 -1.37 0.56 -0.59 0.04 0.00 0.00 177.00 176.00 1n8j s PHE 10 N -1.49 -0.15 -0.24 0.56 -0.12 -1.26 -4.98 117.98 110.31 1n8j s PHE 10 Ca 0.79 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 57.43 1n8j s PHE 10 Cb -0.34 0.45 0.13 0.00 -0.63 0.00 0.00 43.02 42.62 1n8j s PHE 10 CO 0.36 -0.96 0.43 0.21 -0.05 0.00 0.00 175.22 175.21 1n8j s LYS 11 N -3.88 0.37 0.05 1.99 2.20 -1.26 -3.19 119.74 116.03 1n8j s LYS 11 Ca 0.09 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.50 1n8j s LYS 11 Cb -0.02 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 1n8j s LYS 11 CO -0.02 -0.49 -0.04 -0.80 -0.36 0.00 0.00 175.35 173.64 1n8j s ASN 12 N 2.62 0.61 0.17 1.43 -0.87 -0.57 -4.99 114.94 113.33 1n8j s ASN 12 Ca 0.08 -0.85 -0.10 0.00 -1.57 0.00 0.00 52.86 50.42 1n8j s ASN 12 Cb -0.14 0.14 -0.07 0.00 -0.02 0.00 0.00 41.25 41.16 1n8j s ASN 12 CO -0.16 -0.47 0.50 -1.10 -2.57 0.00 0.00 177.10 173.30 1n8j s GLN 13 N -3.15 3.82 0.12 -0.60 -1.52 -1.26 -0.71 119.66 116.36 1n8j s GLN 13 Ca 0.01 0.27 -0.04 0.00 -1.95 0.00 0.00 55.36 53.66 1n8j s GLN 13 Cb 0.02 -2.82 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 1n8j s GLN 13 CO -0.06 0.43 0.11 0.00 -0.25 0.00 0.00 175.29 175.52 1n8j s ALA 14 N -1.62 0.51 -0.17 6.09 0.00 0.24 -0.94 121.76 125.87 1n8j s ALA 14 Ca 0.41 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1n8j s ALA 14 Cb -0.13 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 1n8j s ALA 14 CO 0.20 -0.51 -0.10 0.12 0.00 0.00 0.00 175.76 175.48 1n8j s PHE 15 N -3.99 2.88 -0.10 0.00 5.36 -0.52 -1.29 117.98 120.32 1n8j s PHE 15 Ca 0.18 -0.83 -0.03 0.00 -0.96 0.00 0.00 56.93 55.29 1n8j s PHE 15 Cb 0.06 -1.96 0.05 0.00 -0.34 0.00 0.00 43.02 40.84 1n8j s PHE 15 CO -0.02 -0.39 0.16 0.21 -1.46 0.00 0.00 175.22 173.73 1n8j s LYS 16 N 0.87 0.04 -0.83 10.12 2.20 -0.25 -1.05 119.74 130.84 1n8j s LYS 16 Ca -0.03 0.50 -0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1n8j s LYS 16 Cb -0.15 -0.42 0.01 0.00 -1.51 0.00 0.00 37.83 35.76 1n8j s LYS 16 CO 0.00 -0.35 0.56 0.09 -0.36 0.00 0.00 175.35 175.29 1n8j n ASN 17 N 5.32 -4.16 0.00 1.43 3.02 -1.26 -1.67 115.26 117.94 1n8j n ASN 17 Ca -0.05 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1n8j n ASN 17 Cb 0.50 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 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 -1.64 0.55 3.11 7.41 0.00 -1.26 -5.00 105.19 108.36 1n8j n GLY 18 Ca -0.25 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.45 0.67 -0.19 1.61 -1.05 -0.67 -5.13 118.70 113.49 1n8j s GLU 19 Ca 0.00 -1.23 -0.12 0.00 -0.15 0.00 0.00 54.97 53.48 1n8j s GLU 19 Cb 0.00 0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.71 1n8j s GLU 19 CO 0.00 -0.08 0.21 -0.06 0.95 0.00 0.00 175.26 176.28 1n8j s PHE 20 N -3.69 3.42 0.27 4.83 0.08 -1.26 -1.09 117.98 120.54 1n8j s PHE 20 Ca 0.07 0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.59 1n8j s PHE 20 Cb 0.06 -2.26 -0.06 0.00 -0.57 0.00 0.00 43.02 40.20 1n8j s PHE 20 CO -0.08 0.24 0.05 0.96 -0.10 0.00 0.00 175.22 176.30 1n8j s ILE 21 N 0.49 0.89 -0.12 0.64 -4.36 -0.41 -4.97 121.20 113.37 1n8j s ILE 21 Ca 0.12 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.48 1n8j s ILE 21 Cb -0.12 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 1n8j s ILE 21 CO 0.01 -0.10 -0.03 -0.70 0.24 0.00 0.00 174.94 174.36 1n8j s GLU 22 N -3.94 3.27 -0.07 0.37 2.12 -1.26 -0.59 118.70 118.59 1n8j s GLU 22 Ca 0.34 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 55.24 1n8j s GLU 22 Cb 0.07 -2.81 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 1n8j s GLU 22 CO 0.13 0.48 -0.22 0.08 -0.54 0.00 0.00 175.26 175.19 1n8j s VAL 23 N -0.28 1.83 0.33 3.70 1.01 0.11 -4.97 120.40 122.14 1n8j s VAL 23 Ca 0.05 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1n8j s VAL 23 Cb -0.13 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1n8j s VAL 23 CO 0.02 0.51 0.12 0.42 0.00 0.00 0.00 175.10 176.17 1n8j s THR 24 N 0.13 0.65 0.52 3.92 -4.23 -1.26 -1.52 115.64 113.86 1n8j s THR 24 Ca -0.10 -2.00 0.42 0.00 -1.18 0.00 0.00 61.69 58.83 1n8j s THR 24 Cb -0.15 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.57 1n8j s THR 24 CO 0.05 0.00 2.28 1.05 -0.54 0.00 0.00 174.62 177.46 1n8j h GLU 25 N 2.09 0.00 -0.46 3.99 9.09 -1.88 -1.34 114.58 126.06 1n8j h GLU 25 Ca -0.37 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.02 1n8j h GLU 25 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.33 1n8j h GLU 25 CO 0.59 0.00 0.19 0.87 0.05 0.00 0.00 179.01 180.71 1n8j h LYS 26 N 0.00 0.66 0.00 1.06 6.56 -1.95 -2.04 116.57 120.86 1n8j h LYS 26 Ca -0.00 -0.09 -0.05 0.00 -1.06 0.00 0.00 60.65 59.45 1n8j h LYS 26 Cb 0.13 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1n8j h LYS 26 CO 0.00 0.54 -0.26 -0.44 -2.06 0.00 0.00 179.45 177.23 1n8j h ASP 27 N 0.66 0.00 1.52 0.86 3.32 -1.64 -2.90 116.42 118.23 1n8j h ASP 27 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1n8j h ASP 27 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1n8j h ASP 27 CO -0.02 0.26 -0.49 0.71 -1.72 0.00 0.00 179.24 177.98 1n8j h THR 28 N 0.00 0.32 -2.97 0.35 1.35 -1.48 -3.46 112.91 107.02 1n8j h THR 28 Ca -0.00 -1.48 -0.56 0.00 -0.55 0.00 0.00 66.41 63.82 1n8j h THR 28 Cb 0.50 2.04 0.08 0.00 -1.73 0.00 0.00 68.15 69.04 1n8j h THR 28 CO 0.03 0.18 0.74 -0.62 -0.25 0.00 0.00 175.52 175.60 1n8j n GLU 29 N -3.04 2.36 -1.03 4.72 1.02 -1.10 -1.87 120.64 121.70 1n8j n GLU 29 Ca 0.01 0.84 -0.01 0.00 -0.02 0.00 0.00 57.16 57.98 1n8j n GLU 29 Cb 0.63 -2.55 -0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 2.14 0.48 3.20 0.62 0.00 -0.93 -5.01 105.19 105.69 1n8j n GLY 30 Ca 0.10 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.90 1.12 -0.04 1.61 0.52 -0.78 -4.89 118.95 115.59 1n8j s ARG 31 Ca 0.00 -1.53 -0.15 0.00 -0.52 0.00 0.00 55.73 53.53 1n8j s ARG 31 Cb 0.00 0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.69 1n8j s ARG 31 CO 0.00 -0.36 0.39 -1.58 0.02 0.00 0.00 175.30 173.78 1n8j s TRP 32 N -4.11 3.67 0.05 -0.53 0.52 -1.17 -2.18 118.94 115.20 1n8j s TRP 32 Ca 0.32 0.92 0.05 0.00 0.02 0.00 0.00 56.10 57.41 1n8j s TRP 32 Cb 0.07 -2.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.05 1n8j s TRP 32 CO 0.08 0.55 -0.13 -1.12 0.02 0.00 0.00 176.95 176.35 1n8j s SER 33 N -0.71 1.56 -0.21 2.95 0.01 0.18 -1.04 113.70 116.43 1n8j s SER 33 Ca 0.23 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 57.00 1n8j s SER 33 Cb -0.16 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1n8j s SER 33 CO 0.12 -0.02 -0.13 -0.69 0.41 0.00 0.00 173.24 172.93 1n8j s VAL 34 N -1.00 1.87 -0.39 3.43 1.01 -0.50 0.15 120.40 124.97 1n8j s VAL 34 Ca -0.01 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 60.69 1n8j s VAL 34 Cb -0.08 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1n8j s VAL 34 CO 0.01 0.22 0.38 -0.36 0.00 0.00 0.00 175.10 175.35 1n8j s PHE 35 N 1.30 3.20 -0.57 5.22 0.40 -0.18 -1.17 117.98 126.18 1n8j s PHE 35 Ca -0.01 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1n8j s PHE 35 Cb -0.16 -2.74 0.15 0.00 0.51 0.00 0.00 43.02 40.77 1n8j s PHE 35 CO -0.09 -0.58 0.47 0.12 0.70 0.00 0.00 175.22 175.85 1n8j s PHE 36 N 1.99 3.46 0.15 0.36 5.36 -0.05 -1.14 117.98 128.10 1n8j s PHE 36 Ca 0.10 -1.91 -0.22 0.00 -0.96 0.00 0.00 56.93 53.94 1n8j s PHE 36 Cb -0.17 -3.58 -0.08 0.00 -0.34 0.00 0.00 43.02 38.85 1n8j s PHE 36 CO 0.12 -0.98 0.70 -0.06 -1.46 0.00 0.00 175.22 173.55 1n8j s PHE 37 N 0.98 3.82 0.04 10.12 0.40 0.62 0.13 117.98 134.08 1n8j s PHE 37 Ca 0.09 1.47 -0.03 0.00 -0.60 0.00 0.00 56.93 57.87 1n8j s PHE 37 Cb -0.23 -2.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 1n8j s PHE 37 CO -0.02 0.49 0.02 1.52 0.70 0.00 0.00 175.22 177.94 1n8j s TYR 38 N -1.23 0.31 0.07 0.36 -0.85 0.31 -2.97 117.35 113.35 1n8j s TYR 38 Ca 0.36 -0.68 -0.33 0.00 -0.52 0.00 0.00 57.07 55.89 1n8j s TYR 38 Cb -0.21 -0.23 -0.19 0.00 0.38 0.00 0.00 41.96 41.72 1n8j s TYR 38 CO 0.23 -0.32 1.62 -1.35 -1.52 0.00 0.00 175.55 174.21 1n8j h PRO 39 N 3.78 -0.90 -2.21 -3.49 0.11 -1.80 -3.38 132.00 124.11 1n8j h PRO 39 Ca -0.33 0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1n8j h PRO 39 Cb 1.18 0.20 -0.20 0.00 0.11 0.00 0.00 31.00 32.30 1n8j h PRO 39 CO 0.52 -0.60 0.09 0.00 -0.21 0.00 0.00 178.00 177.81 1n8j s ALA 40 N -6.05 -1.57 0.87 -0.75 0.00 -1.26 -4.30 121.76 108.70 1n8j s ALA 40 Ca -0.18 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1n8j s ALA 40 Cb 0.03 -0.12 0.11 0.00 0.00 0.00 0.00 23.12 23.15 1n8j s ALA 40 CO 0.62 -0.34 1.09 -0.51 0.00 0.00 0.00 175.76 176.62 1n8j s ASP 41 N -1.02 3.76 -2.01 0.00 1.11 -1.26 -3.67 116.67 113.58 1n8j s ASP 41 Ca -0.10 1.49 0.00 0.00 0.18 0.00 0.00 52.55 54.12 1n8j s ASP 41 Cb -0.02 -2.18 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1n8j s ASP 41 CO 0.08 -2.45 0.00 0.49 1.18 0.00 0.00 175.17 174.46 1n8j n PHE 42 N -3.76 -0.22 -1.91 4.23 3.01 -1.26 -4.99 117.46 112.56 1n8j n PHE 42 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1n8j n PHE 42 Cb 0.55 -3.45 0.00 0.00 -0.01 0.00 0.00 39.48 36.57 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 -2.80 0.00 -0.06 4.37 -2.24 -1.24 -5.11 114.28 107.19 1n8j n THR 43 Ca -0.21 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1n8j n THR 43 Cb 0.66 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.14 4.78 3.72 -1.26 -4.51 117.46 120.05 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 -0.43 -0.01 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.71 1.28 -0.06 -4.37 2.07 -1.97 -3.33 116.25 109.16 1n8j h VAL 45 Ca -0.11 -1.30 0.04 0.00 0.82 0.00 0.00 66.70 66.15 1n8j h VAL 45 Cb 0.87 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1n8j h VAL 45 CO -0.07 0.44 -0.36 0.28 0.02 0.00 0.00 177.57 177.88 1n8j h SER 46 N 0.66 -1.11 -0.78 0.57 0.02 -1.90 -2.16 113.55 108.86 1n8j h SER 46 Ca 0.10 0.15 0.13 0.00 -0.84 0.00 0.00 61.79 61.33 1n8j h SER 46 Cb 0.72 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 1n8j h SER 46 CO 0.05 -0.41 0.36 1.55 -1.14 0.00 0.00 176.83 177.25 1n8j h PRO 47 N -0.49 0.53 -0.66 3.45 0.13 -1.79 0.28 132.00 133.45 1n8j h PRO 47 Ca 0.07 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 1n8j h PRO 47 Cb 0.60 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 1n8j h PRO 47 CO -0.33 0.35 0.28 1.79 -0.23 0.00 0.00 178.00 179.86 1n8j h THR 48 N 0.54 1.22 -0.24 1.56 1.35 -1.62 0.27 112.91 116.00 1n8j h THR 48 Ca 0.42 -0.68 -0.06 0.00 -0.55 0.00 0.00 66.41 65.54 1n8j h THR 48 Cb 0.59 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1n8j h THR 48 CO -0.36 0.28 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.79 1n8j h GLU 49 N 0.94 0.46 -0.50 4.72 5.08 -0.38 0.84 114.58 125.75 1n8j h GLU 49 Ca 0.22 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1n8j h GLU 49 Cb 0.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1n8j h GLU 49 CO -0.02 0.70 0.03 -0.07 -1.00 0.00 0.00 179.01 178.65 1n8j h LEU 50 N 0.20 0.77 -0.39 1.33 3.38 -0.03 -1.90 115.31 118.67 1n8j h LEU 50 Ca 0.06 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1n8j h LEU 50 Cb 0.54 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1n8j h LEU 50 CO 0.03 0.82 -0.24 1.23 0.09 0.00 0.00 178.44 180.37 1n8j h GLY 51 N 0.97 0.92 0.31 0.83 0.00 -0.38 -1.24 103.07 104.49 1n8j h GLY 51 Ca 0.15 -0.86 0.10 0.00 0.00 0.00 0.00 47.33 46.72 1n8j h GLY 51 CO 0.02 0.78 0.19 -1.80 0.00 0.00 0.00 176.54 175.73 1n8j h ASP 52 N 0.65 0.15 -0.07 0.19 -0.00 -0.42 0.47 116.42 117.39 1n8j h ASP 52 Ca 0.08 0.09 -0.11 0.00 -0.00 0.00 0.00 57.03 57.09 1n8j h ASP 52 Cb 0.81 0.09 -0.01 0.00 -0.00 0.00 0.00 39.33 40.22 1n8j h ASP 52 CO 0.07 0.09 -0.29 0.58 -0.00 0.00 0.00 179.24 179.68 1n8j h VAL 53 N 0.35 1.28 -0.83 2.25 2.07 -1.17 -2.68 116.25 117.53 1n8j h VAL 53 Ca 0.31 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1n8j h VAL 53 Cb 0.42 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1n8j h VAL 53 CO -0.34 0.43 0.50 0.00 0.02 0.00 0.00 177.57 178.18 1n8j h ALA 54 N 1.23 1.06 -0.09 1.67 0.00 0.16 -1.62 119.26 121.67 1n8j h ALA 54 Ca 0.06 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1n8j h ALA 54 Cb 0.74 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n8j h ALA 54 CO 0.06 0.52 0.08 -0.44 0.00 0.00 0.00 179.25 179.47 1n8j h ASP 55 N 1.14 0.00 -0.57 0.00 3.32 -0.63 -1.58 116.42 118.10 1n8j h ASP 55 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1n8j h ASP 55 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1n8j h ASP 55 CO -0.06 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.87 1n8j n HIS 56 N -4.08 1.19 -0.13 4.55 8.25 -0.64 -4.67 115.22 119.69 1n8j n HIS 56 Ca -0.01 -0.61 -0.09 0.00 -0.26 0.00 0.00 57.72 56.76 1n8j n HIS 56 Cb 0.19 -0.18 -0.00 0.00 1.12 0.00 0.00 29.99 31.12 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 3.53 0.54 -0.15 4.41 3.20 -0.93 -0.80 116.97 126.77 1n8j h TYR 57 Ca 0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1n8j h TYR 57 Cb 1.27 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1n8j h TYR 57 CO 0.61 0.42 -0.07 0.93 -1.64 0.00 0.00 178.16 178.41 1n8j h GLU 58 N 0.51 -0.04 -0.33 1.82 4.39 -1.83 0.38 114.58 119.47 1n8j h GLU 58 Ca 0.14 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1n8j h GLU 58 Cb 0.06 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1n8j h GLU 58 CO -0.02 -0.03 -0.05 1.49 -1.16 0.00 0.00 179.01 179.23 1n8j h GLU 59 N -0.05 0.03 -0.54 2.33 4.81 -1.84 0.10 114.58 119.42 1n8j h GLU 59 Ca 0.08 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1n8j h GLU 59 Cb 0.17 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1n8j h GLU 59 CO -0.18 0.02 0.30 -0.07 -0.73 0.00 0.00 179.01 178.35 1n8j h LEU 60 N 0.03 0.67 -0.80 1.64 3.38 -0.42 -1.93 115.31 117.88 1n8j h LEU 60 Ca 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1n8j h LEU 60 Cb 0.24 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1n8j h LEU 60 CO -0.32 0.57 0.33 1.56 0.09 0.00 0.00 178.44 180.66 1n8j h GLN 61 N 0.73 1.20 -0.06 1.13 1.08 0.37 0.65 115.11 120.21 1n8j h GLN 61 Ca 0.19 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1n8j h GLN 61 Cb 0.04 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1n8j h GLN 61 CO -0.03 0.97 -0.06 0.87 -0.95 0.00 0.00 178.83 179.62 1n8j h LYS 62 N 1.17 0.08 -0.02 1.46 1.57 -0.44 0.20 116.57 120.59 1n8j h LYS 62 Ca 0.27 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1n8j h LYS 62 Cb 0.21 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1n8j h LYS 62 CO -0.02 0.15 0.00 1.28 -0.57 0.00 0.00 179.45 180.29 1n8j n LEU 63 N -4.41 0.33 -0.91 2.94 4.77 -0.57 -4.88 117.00 114.28 1n8j n LEU 63 Ca -0.02 -0.13 -0.07 0.00 -0.03 0.00 0.00 56.01 55.76 1n8j n LEU 63 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1n8j n LEU 63 CO 0.36 0.06 -0.06 0.61 -1.33 0.00 0.00 177.39 177.03 1n8j n GLY 64 N 0.95 0.14 3.36 -0.72 0.00 0.06 -4.95 105.19 104.03 1n8j n GLY 64 Ca 0.19 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.47 3.46 0.04 1.61 1.01 0.12 -3.02 120.40 121.15 1n8j s VAL 65 Ca 0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1n8j s VAL 65 Cb -0.01 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1n8j s VAL 65 CO 0.04 0.44 0.30 -1.81 0.00 0.00 0.00 175.10 174.08 1n8j s ASP 66 N 1.14 6.52 -0.10 3.32 1.01 -0.21 -3.82 116.67 124.53 1n8j s ASP 66 Ca 0.02 0.59 0.03 0.00 0.71 0.00 0.00 52.55 53.91 1n8j s ASP 66 Cb -0.15 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1n8j s ASP 66 CO -0.01 0.21 -0.21 -0.69 0.21 0.00 0.00 175.17 174.69 1n8j s VAL 67 N -1.37 2.38 -0.19 -1.27 1.01 -1.26 -1.41 120.40 118.29 1n8j s VAL 67 Ca 0.30 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1n8j s VAL 67 Cb -0.13 -1.93 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1n8j s VAL 67 CO 0.18 0.55 -0.08 -0.31 0.00 0.00 0.00 175.10 175.45 1n8j s TYR 68 N 0.18 2.10 0.28 5.22 1.51 -0.31 -3.10 117.35 123.23 1n8j s TYR 68 Ca -0.12 -1.38 -0.11 0.00 -1.01 0.00 0.00 57.07 54.44 1n8j s TYR 68 Cb -0.16 -1.49 -0.08 0.00 -0.11 0.00 0.00 41.96 40.12 1n8j s TYR 68 CO 0.07 -0.69 0.63 -1.54 -1.11 0.00 0.00 175.55 172.91 1n8j s SER 69 N 1.50 6.66 -0.01 2.29 1.04 -0.47 -0.87 113.70 123.83 1n8j s SER 69 Ca -0.01 1.05 -0.01 0.00 0.48 0.00 0.00 55.95 57.47 1n8j s SER 69 Cb -0.16 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.69 1n8j s SER 69 CO -0.08 -0.16 0.03 -0.69 0.98 0.00 0.00 173.24 173.32 1n8j s VAL 70 N -1.94 -0.02 0.14 5.02 1.01 0.12 -0.83 120.40 123.89 1n8j s VAL 70 Ca 0.50 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1n8j s VAL 70 Cb -0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1n8j s VAL 70 CO 0.21 0.03 0.26 -0.94 0.00 0.00 0.00 175.10 174.66 1n8j s SER 71 N 0.40 0.05 0.00 3.32 1.04 -1.20 -0.53 113.70 116.78 1n8j s SER 71 Ca -0.03 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 55.67 1n8j s SER 71 Cb -0.05 0.41 0.35 0.00 0.10 0.00 0.00 66.02 66.83 1n8j s SER 71 CO -0.01 -0.84 1.23 0.35 0.98 0.00 0.00 173.24 174.94 1n8j n THR 72 N -0.17 0.01 -1.59 2.02 -2.24 -1.26 -1.28 114.28 109.76 1n8j n THR 72 Ca -0.10 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 1n8j n THR 72 Cb 0.63 -0.08 0.15 0.00 -2.10 0.00 0.00 70.33 68.93 1n8j n THR 72 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1n8j s ASP 73 N -1.18 3.21 0.58 3.42 1.01 -1.26 -3.44 116.67 119.01 1n8j s ASP 73 Ca 0.09 0.77 -0.02 0.00 0.71 0.00 0.00 52.55 54.10 1n8j s ASP 73 Cb 0.04 -1.19 0.03 0.00 1.01 0.00 0.00 42.92 42.82 1n8j s ASP 73 CO 0.07 -2.72 0.84 0.42 0.21 0.00 0.00 175.17 173.99 1n8j s THR 74 N -3.39 2.92 0.17 -1.27 -4.23 -1.26 -2.38 115.64 106.19 1n8j s THR 74 Ca 0.66 -0.45 0.30 0.00 -1.18 0.00 0.00 61.69 61.03 1n8j s THR 74 Cb -0.12 -3.14 0.32 0.00 1.34 0.00 0.00 72.50 70.91 1n8j s THR 74 CO 0.53 -0.12 1.95 1.12 -0.54 0.00 0.00 174.62 177.56 1n8j h HIS 75 N -0.08 0.00 -0.32 3.99 2.07 -1.88 -2.51 115.15 116.42 1n8j h HIS 75 Ca -0.44 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.05 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 0.10 0.06 0.74 -3.07 0.00 0.00 177.93 176.15 1n8j h PHE 76 N 0.00 0.56 -0.49 6.12 -1.00 -1.96 -2.41 116.94 117.75 1n8j h PHE 76 Ca -0.00 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 1n8j h PHE 76 Cb 0.56 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 1n8j h PHE 76 CO 0.00 0.59 0.12 1.15 -1.61 0.00 0.00 178.31 178.56 1n8j h THR 77 N 0.36 1.21 -0.76 -1.55 2.02 -1.84 -2.53 112.91 109.82 1n8j h THR 77 Ca 0.10 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 1n8j h THR 77 Cb 0.33 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1n8j h THR 77 CO 0.00 0.28 0.29 0.45 0.37 0.00 0.00 175.52 176.92 1n8j h HIS 78 N 0.71 1.16 -0.29 3.16 3.86 -1.14 -0.45 115.15 122.17 1n8j h HIS 78 Ca 0.16 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1n8j h HIS 78 Cb 0.27 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 1n8j h HIS 78 CO 0.01 0.89 0.10 -0.22 0.86 0.00 0.00 177.93 179.58 1n8j h LYS 79 N 1.10 0.44 -0.82 2.45 3.64 -1.13 0.34 116.57 122.58 1n8j h LYS 79 Ca 0.25 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1n8j h LYS 79 Cb 0.23 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1n8j h LYS 79 CO -0.02 0.47 0.54 0.00 -2.27 0.00 0.00 179.45 178.18 1n8j h ALA 80 N 0.94 1.48 -0.18 5.00 0.00 -1.17 -1.36 119.26 123.97 1n8j h ALA 80 Ca 0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 80 Cb 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1n8j h ALA 80 CO -0.01 0.44 -0.66 2.35 0.00 0.00 0.00 179.25 181.38 1n8j h TRP 81 N 1.03 0.89 -0.18 0.00 7.01 -0.72 -2.70 115.95 121.29 1n8j h TRP 81 Ca 0.32 -0.36 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1n8j h TRP 81 Cb 0.01 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1n8j h TRP 81 CO -0.00 1.15 0.02 1.25 -2.79 0.00 0.00 178.44 178.07 1n8j h HIS 82 N 0.50 0.26 0.00 2.65 2.76 -0.19 -2.39 115.15 118.74 1n8j h HIS 82 Ca -0.02 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.01 1n8j h HIS 82 Cb 1.25 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1n8j h HIS 82 CO 0.07 0.26 -0.80 0.77 -1.30 0.00 0.00 177.93 176.93 1n8j h SER 83 N 0.26 0.00 -0.01 3.26 0.02 -1.14 -3.27 113.55 112.67 1n8j h SER 83 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1n8j h SER 83 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1n8j h SER 83 CO 0.00 0.57 -0.16 -1.54 -1.14 0.00 0.00 176.83 174.56 1n8j n SER 84 N -3.15 1.87 -4.16 3.07 3.41 -1.03 -4.92 113.62 108.72 1n8j n SER 84 Ca -0.01 -1.44 -0.33 0.00 -0.26 0.00 0.00 58.87 56.83 1n8j n SER 84 Cb 0.78 0.25 -0.16 0.00 -0.26 0.00 0.00 64.21 64.83 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 -1.54 3.20 0.24 4.04 0.15 -0.92 -5.00 113.70 113.87 1n8j s SER 85 Ca 0.15 -0.60 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 1n8j s SER 85 Cb 0.12 -1.48 0.24 0.00 -1.71 0.00 0.00 66.02 63.19 1n8j s SER 85 CO 0.29 0.04 1.90 -0.33 1.20 0.00 0.00 173.24 176.34 1n8j h GLU 86 N 7.60 1.17 -0.05 5.44 4.39 -1.89 0.99 114.58 132.22 1n8j h GLU 86 Ca -0.38 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.06 1n8j h GLU 86 Cb 1.17 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1n8j h GLU 86 CO 0.59 0.77 -0.77 1.79 -1.16 0.00 0.00 179.01 180.24 1n8j h THR 87 N 1.20 1.40 0.00 1.13 1.35 -1.95 -3.11 112.91 112.93 1n8j h THR 87 Ca 0.34 -2.24 -0.13 0.00 -0.55 0.00 0.00 66.41 63.82 1n8j h THR 87 Cb -0.10 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.51 1n8j h THR 87 CO -0.09 0.67 -0.64 0.40 -0.25 0.00 0.00 175.52 175.62 1n8j h ILE 88 N 0.23 1.30 0.00 6.82 1.08 -1.79 -3.03 117.51 122.12 1n8j h ILE 88 Ca -0.04 -2.30 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 1n8j h ILE 88 Cb 1.35 2.29 0.00 0.00 -3.07 0.00 0.00 36.82 37.39 1n8j h ILE 88 CO 0.13 0.62 0.00 0.00 -0.69 0.00 0.00 178.15 178.21 1n8j h ALA 89 N 1.36 1.00 -0.14 1.87 0.00 -0.73 -1.26 119.26 121.36 1n8j h ALA 89 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n8j h ALA 89 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1n8j h ALA 89 CO 0.08 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.69 1n8j n LYS 90 N -2.40 1.70 -2.57 0.00 2.85 -1.15 -4.88 118.16 111.72 1n8j n LYS 90 Ca -0.00 -1.05 -0.42 0.00 -1.05 0.00 0.00 58.31 55.78 1n8j n LYS 90 Cb 0.12 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 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 -1.82 4.45 0.00 0.58 1.01 -0.48 -4.92 121.20 120.03 1n8j s ILE 91 Ca 0.33 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.75 1n8j s ILE 91 Cb 0.18 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1n8j s ILE 91 CO 0.27 0.14 0.83 0.29 0.00 0.00 0.00 174.94 176.47 1n8j n LYS 92 N 3.86 1.71 -3.32 2.79 5.02 -1.26 -4.74 118.16 122.22 1n8j n LYS 92 Ca 0.07 -1.16 -0.20 0.00 -2.02 0.00 0.00 58.31 55.01 1n8j n LYS 92 Cb 0.49 -0.98 -0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1n8j n LYS 92 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1n8j s TYR 93 N -0.66 2.49 0.13 2.13 -0.85 -1.26 -4.74 117.35 114.58 1n8j s TYR 93 Ca 0.00 -0.52 -0.31 0.00 -0.52 0.00 0.00 57.07 55.72 1n8j s TYR 93 Cb 0.00 -2.23 -0.08 0.00 0.38 0.00 0.00 41.96 40.03 1n8j s TYR 93 CO 0.00 -0.39 1.35 0.00 -1.52 0.00 0.00 175.55 174.99 1n8j s ALA 94 N -2.48 3.56 -0.52 9.51 0.00 -1.18 -4.71 121.76 125.94 1n8j s ALA 94 Ca 0.51 1.09 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 1n8j s ALA 94 Cb -0.06 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.68 1n8j s ALA 94 CO 0.31 -0.58 0.40 -1.64 0.00 0.00 0.00 175.76 174.24 1n8j s MET 95 N 0.81 2.59 0.16 0.00 1.00 -0.22 -1.37 119.30 122.27 1n8j s MET 95 Ca 0.62 -1.91 -0.30 0.00 0.00 0.00 0.00 55.69 54.10 1n8j s MET 95 Cb -0.36 -3.95 -0.07 0.00 0.00 0.00 0.00 34.83 30.44 1n8j s MET 95 CO 0.32 -1.20 1.06 0.42 0.00 0.00 0.00 175.02 175.61 1n8j s ILE 96 N 1.10 4.07 -0.18 2.53 1.01 -0.01 -1.44 121.20 128.28 1n8j s ILE 96 Ca 0.08 1.76 -0.09 0.00 0.00 0.00 0.00 60.65 62.40 1n8j s ILE 96 Cb -0.24 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 1n8j s ILE 96 CO -0.02 0.29 0.12 -0.83 0.00 0.00 0.00 174.94 174.50 1n8j s GLY 97 N -0.07 2.05 -0.42 6.18 0.00 -0.11 -3.25 107.32 111.69 1n8j s GLY 97 Ca 0.49 -0.69 0.10 0.00 0.00 0.00 0.00 44.72 44.62 1n8j s GLY 97 CO 0.33 -0.01 0.98 1.34 0.00 0.00 0.00 173.10 175.74 1n8j n ASP 98 N 3.13 3.10 -0.12 1.64 2.03 -0.41 -4.19 116.55 121.74 1n8j n ASP 98 Ca -0.17 -3.30 0.22 0.00 0.52 0.00 0.00 54.79 52.06 1n8j n ASP 98 Cb 0.53 -0.52 0.65 0.00 -0.72 0.00 0.00 41.12 41.06 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 0.11 0.00 -0.67 0.13 -1.66 0.54 132.00 133.29 1n8j h PRO 99 Ca 0.12 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1n8j h PRO 99 Cb 0.94 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 1n8j h PRO 99 CO 0.69 0.08 -0.01 1.79 -0.23 0.00 0.00 178.00 180.31 1n8j h THR 100 N 0.12 0.02 -0.04 1.56 1.35 -1.92 -3.47 112.91 110.54 1n8j h THR 100 Ca 0.36 -0.90 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 1n8j h THR 100 Cb 1.24 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 1n8j h THR 100 CO -0.05 0.01 -0.01 0.61 -0.25 0.00 0.00 175.52 175.83 1n8j n GLY 101 N 0.82 0.47 0.22 5.82 0.00 0.19 -4.93 105.19 107.77 1n8j n GLY 101 Ca 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.51 -0.24 4.61 0.00 -1.91 -0.50 119.26 121.72 1n8j h ALA 102 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1n8j h ALA 102 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n8j h ALA 102 CO 0.02 0.38 0.04 1.25 0.00 0.00 0.00 179.25 180.94 1n8j h LEU 103 N 0.51 0.38 -0.85 0.00 6.46 -1.91 0.29 115.31 120.18 1n8j h LEU 103 Ca 0.09 -0.26 0.03 0.00 -0.12 0.00 0.00 57.88 57.62 1n8j h LEU 103 Cb 0.62 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1n8j h LEU 103 CO 0.04 0.54 0.55 0.74 -0.62 0.00 0.00 178.44 179.69 1n8j h THR 104 N 0.20 1.13 0.00 1.05 2.02 -1.89 -2.04 112.91 113.38 1n8j h THR 104 Ca 0.07 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 1n8j h THR 104 Cb 0.33 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1n8j h THR 104 CO 0.00 0.19 -0.53 0.03 0.37 0.00 0.00 175.52 175.59 1n8j h ARG 105 N 1.06 0.00 -0.03 6.66 3.08 -0.79 -1.08 114.38 123.29 1n8j h ARG 105 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 1n8j h ARG 105 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1n8j h ARG 105 CO -0.12 0.53 -0.09 -0.91 -1.07 0.00 0.00 179.97 178.30 1n8j h ASN 106 N 0.00 0.03 -0.50 7.04 2.35 -0.21 -1.01 115.58 123.29 1n8j h ASN 106 Ca -0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1n8j h ASN 106 Cb 1.06 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1n8j h ASN 106 CO 0.07 0.13 0.00 0.49 -1.65 0.00 0.00 177.43 176.47 1n8j n PHE 107 N -4.41 1.18 -4.17 1.19 3.72 -1.03 -4.85 117.46 109.09 1n8j n PHE 107 Ca -0.02 -0.46 -0.33 0.00 -0.05 0.00 0.00 57.45 56.58 1n8j n PHE 107 Cb 0.18 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 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 0.80 -2.12 -0.55 4.37 2.03 -0.38 -4.86 116.55 115.85 1n8j n ASP 108 Ca 0.20 -1.04 0.07 0.00 0.52 0.00 0.00 54.79 54.54 1n8j n ASP 108 Cb 0.73 -2.72 0.15 0.00 -0.72 0.00 0.00 41.12 38.56 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 -2.76 1.69 -4.80 1.67 4.05 -0.44 -5.03 115.26 109.65 1n8j n ASN 109 Ca -0.06 -3.29 -0.36 0.00 0.45 0.00 0.00 54.58 51.31 1n8j n ASN 109 Cb 0.56 -0.45 -0.07 0.00 1.23 0.00 0.00 39.78 41.05 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 -2.50 3.87 -0.81 1.20 1.75 -1.26 -1.45 119.30 120.10 1n8j s MET 110 Ca 0.33 -0.11 -0.19 0.00 -1.25 0.00 0.00 55.69 54.47 1n8j s MET 110 Cb 0.32 -3.31 0.12 0.00 2.84 0.00 0.00 34.83 34.80 1n8j s MET 110 CO -0.05 0.51 0.99 1.03 -0.65 0.00 0.00 175.02 176.86 1n8j s ARG 111 N -0.28 3.42 0.30 4.11 0.52 -0.01 -4.91 118.95 122.10 1n8j s ARG 111 Ca 0.13 -1.58 0.05 0.00 -0.52 0.00 0.00 55.73 53.80 1n8j s ARG 111 Cb -0.12 -4.63 0.70 0.00 0.52 0.00 0.00 34.95 31.41 1n8j s ARG 111 CO 0.02 -1.70 1.80 0.93 0.02 0.00 0.00 175.30 176.37 1n8j h GLU 112 N 8.93 0.80 0.00 3.54 4.39 -1.96 0.21 114.58 130.49 1n8j h GLU 112 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1n8j h GLU 112 Cb 1.04 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1n8j h GLU 112 CO 1.09 0.53 0.00 -0.40 -1.16 0.00 0.00 179.01 179.07 1n8j n ASP 113 N -4.70 0.00 -0.00 1.42 5.75 -1.26 -3.40 116.55 114.35 1n8j n ASP 113 Ca 0.22 0.48 0.02 0.00 -0.01 0.00 0.00 54.79 55.50 1n8j n ASP 113 Cb 0.51 -0.49 -0.04 0.00 -1.03 0.00 0.00 41.12 40.06 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1n8j n GLU 114 N -1.49 0.45 -1.13 0.11 1.02 -0.35 -5.01 120.64 114.24 1n8j n GLU 114 Ca 0.05 -0.04 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 1n8j n GLU 114 Cb 0.21 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 2.26 0.72 3.31 0.62 0.00 -0.08 -5.03 105.19 106.99 1n8j n GLY 115 Ca -0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.99 2.38 0.56 0.99 1.43 -1.24 -4.79 118.68 117.02 1n8j s LEU 116 Ca 0.00 -0.79 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1n8j s LEU 116 Cb 0.00 -0.84 -0.06 0.00 0.03 0.00 0.00 46.19 45.32 1n8j s LEU 116 CO 0.00 -0.00 1.02 0.00 0.23 0.00 0.00 176.35 177.59 1n8j s ALA 117 N -1.69 2.95 0.63 4.21 0.00 -1.26 -0.83 121.76 125.78 1n8j s ALA 117 Ca 0.12 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 1n8j s ALA 117 Cb -0.07 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1n8j s ALA 117 CO 0.06 -0.50 0.96 -0.51 0.00 0.00 0.00 175.76 175.77 1n8j s ASP 118 N -3.14 5.47 -0.91 0.00 1.11 -0.53 -3.21 116.67 115.45 1n8j s ASP 118 Ca 0.60 0.80 -0.24 0.00 0.18 0.00 0.00 52.55 53.88 1n8j s ASP 118 Cb -0.12 -1.70 -0.01 0.00 1.07 0.00 0.00 42.92 42.16 1n8j s ASP 118 CO 0.37 -1.19 1.74 -0.13 1.18 0.00 0.00 175.17 177.13 1n8j s ARG 119 N -5.12 2.95 0.04 8.23 0.52 -1.25 -4.09 118.95 120.22 1n8j s ARG 119 Ca 0.56 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.30 1n8j s ARG 119 Cb -0.11 -5.07 -0.02 0.00 0.52 0.00 0.00 34.95 30.27 1n8j s ARG 119 CO 0.47 -2.87 -0.12 0.00 0.02 0.00 0.00 175.30 172.80 1n8j s ALA 120 N 8.04 0.99 -0.05 2.13 0.00 -1.16 -1.10 121.76 130.62 1n8j s ALA 120 Ca 0.60 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.83 1n8j s ALA 120 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1n8j s ALA 120 CO -0.02 0.17 -0.14 0.99 0.00 0.00 0.00 175.76 176.76 1n8j s THR 121 N -0.88 1.22 -0.05 0.00 2.01 0.29 -0.28 115.64 117.95 1n8j s THR 121 Ca -0.01 -0.57 0.04 0.00 0.31 0.00 0.00 61.69 61.46 1n8j s THR 121 Cb -0.08 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.35 1n8j s THR 121 CO 0.01 0.37 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.77 1n8j s PHE 122 N 0.32 1.81 -0.26 4.92 0.40 -0.30 -1.54 117.98 123.34 1n8j s PHE 122 Ca -0.08 -0.58 -0.09 0.00 -0.60 0.00 0.00 56.93 55.58 1n8j s PHE 122 Cb -0.13 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1n8j s PHE 122 CO 0.03 -0.22 0.12 0.08 0.70 0.00 0.00 175.22 175.93 1n8j s VAL 123 N 0.16 4.80 -0.16 -0.44 1.01 -0.39 -1.01 120.40 124.37 1n8j s VAL 123 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1n8j s VAL 123 Cb -0.13 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1n8j s VAL 123 CO 0.03 0.31 -0.17 -0.69 0.00 0.00 0.00 175.10 174.59 1n8j s VAL 124 N 1.55 2.47 1.02 2.92 1.01 0.12 0.27 120.40 129.76 1n8j s VAL 124 Ca 0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1n8j s VAL 124 Cb -0.15 -2.03 0.22 0.00 0.00 0.00 0.00 36.38 34.41 1n8j s VAL 124 CO 0.06 0.52 1.27 1.51 0.00 0.00 0.00 175.10 178.47 1n8j s ASP 125 N 0.94 2.61 0.59 3.32 1.47 -0.33 0.48 116.67 125.76 1n8j s ASP 125 Ca -0.03 0.36 0.29 0.00 1.18 0.00 0.00 52.55 54.34 1n8j s ASP 125 Cb -0.15 -0.45 1.67 0.00 -0.34 0.00 0.00 42.92 43.66 1n8j s ASP 125 CO -0.03 -3.05 2.10 -0.65 0.68 0.00 0.00 175.17 174.22 1n8j h PRO 126 N -1.86 0.00 -0.45 2.11 0.11 -1.75 0.43 132.00 130.59 1n8j h PRO 126 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1n8j h PRO 126 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1n8j h PRO 126 CO 0.37 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.20 1n8j n GLN 127 N -3.76 2.07 -1.02 1.05 3.00 -1.26 -2.19 117.38 115.27 1n8j n GLN 127 Ca 0.01 -1.54 -0.01 0.00 -0.01 0.00 0.00 57.00 55.45 1n8j n GLN 127 Cb 0.33 -1.37 -0.00 0.00 0.00 0.00 0.00 30.24 29.19 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 1.12 0.43 3.73 1.08 0.00 0.14 -4.90 105.19 106.80 1n8j n GLY 128 Ca 0.14 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1n8j n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 129 N -1.82 4.90 -0.19 -0.61 -1.09 -1.25 -1.27 121.20 119.86 1n8j s ILE 129 Ca 0.00 1.55 -0.29 0.00 -2.23 0.00 0.00 60.65 59.67 1n8j s ILE 129 Cb 0.00 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1n8j s ILE 129 CO 0.00 0.30 1.20 -0.63 -1.23 0.00 0.00 174.94 174.59 1n8j s ILE 130 N 0.40 4.38 -0.27 2.92 1.01 -0.89 -1.18 121.20 127.57 1n8j s ILE 130 Ca 0.38 1.67 0.18 0.00 0.00 0.00 0.00 60.65 62.88 1n8j s ILE 130 Cb -0.19 -4.09 -0.25 0.00 0.01 0.00 0.00 42.46 37.94 1n8j s ILE 130 CO 0.21 -0.17 0.49 0.00 0.00 0.00 0.00 174.94 175.47 1n8j n GLN 131 N 6.57 0.79 -3.61 2.79 1.13 0.14 -0.85 117.38 124.33 1n8j n GLN 131 Ca 0.13 -0.11 -0.16 0.00 -1.94 0.00 0.00 57.00 54.93 1n8j n GLN 131 Cb 0.45 -1.39 -0.07 0.00 0.11 0.00 0.00 30.24 29.35 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 -3.04 -1.58 -0.01 -1.58 0.00 -1.23 -4.94 121.76 109.39 1n8j s ALA 132 Ca -0.02 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1n8j s ALA 132 Cb 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1n8j s ALA 132 CO 0.73 -0.33 0.00 0.42 0.00 0.00 0.00 175.76 176.58 1n8j s ILE 133 N -0.51 0.04 -0.03 0.00 1.01 -1.26 -1.27 121.20 119.18 1n8j s ILE 133 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 1n8j s ILE 133 Cb -0.03 -0.07 0.03 0.00 0.01 0.00 0.00 42.46 42.40 1n8j s ILE 133 CO 0.05 0.04 0.06 -1.83 0.00 0.00 0.00 174.94 173.26 1n8j s GLU 134 N 0.25 0.01 -0.03 2.79 -1.05 -0.59 -4.98 118.70 115.10 1n8j s GLU 134 Ca -0.02 0.20 0.02 0.00 -0.15 0.00 0.00 54.97 55.02 1n8j s GLU 134 Cb -0.03 -0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.49 1n8j s GLU 134 CO -0.01 -0.13 -0.07 0.08 0.95 0.00 0.00 175.26 176.08 1n8j s VAL 135 N 0.86 0.67 0.18 1.83 1.01 -1.26 -0.55 120.40 123.14 1n8j s VAL 135 Ca -0.07 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1n8j s VAL 135 Cb -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1n8j s VAL 135 CO -0.03 0.22 -0.09 0.42 0.00 0.00 0.00 175.10 175.62 1n8j s THR 136 N 0.37 1.29 0.81 3.92 -4.23 -0.26 -5.01 115.64 112.54 1n8j s THR 136 Ca -0.05 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.25 1n8j s THR 136 Cb -0.10 -1.99 0.09 0.00 1.34 0.00 0.00 72.50 71.84 1n8j s THR 136 CO 0.00 -0.63 1.12 0.00 -0.54 0.00 0.00 174.62 174.58 1n8j s ALA 137 N -3.25 1.96 0.34 3.99 0.00 -1.26 -3.94 121.76 119.59 1n8j s ALA 137 Ca 0.20 0.47 0.13 0.00 0.00 0.00 0.00 51.96 52.76 1n8j s ALA 137 Cb 0.02 -3.36 1.06 0.00 0.00 0.00 0.00 23.12 20.84 1n8j s ALA 137 CO 0.04 -2.13 1.62 1.49 0.00 0.00 0.00 175.76 176.78 1n8j h GLU 138 N -1.26 0.16 -0.09 0.00 4.57 -2.00 -1.39 114.58 114.57 1n8j h GLU 138 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1n8j h GLU 138 Cb 1.25 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1n8j h GLU 138 CO 0.48 0.10 0.00 0.41 -1.18 0.00 0.00 179.01 178.82 1n8j n GLY 139 N -1.32 0.20 3.24 1.92 0.00 -1.26 -4.83 105.19 103.14 1n8j n GLY 139 Ca 0.31 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.90 3.60 0.51 -0.61 1.01 -0.52 -5.06 121.20 118.22 1n8j s ILE 140 Ca 0.35 -1.23 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 1n8j s ILE 140 Cb 0.20 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1n8j s ILE 140 CO 0.30 -0.19 1.08 -0.83 0.00 0.00 0.00 174.94 175.31 1n8j s GLY 141 N 1.41 2.57 0.88 6.18 0.00 -1.26 -4.59 107.32 112.51 1n8j s GLY 141 Ca -0.02 0.72 -0.11 0.00 0.00 0.00 0.00 44.72 45.30 1n8j s GLY 141 CO 0.02 1.06 1.22 0.50 0.00 0.00 0.00 173.10 175.89 1n8j s ARG 142 N -3.25 1.03 -0.17 2.90 0.52 -1.26 -5.09 118.95 113.62 1n8j s ARG 142 Ca 0.70 -0.57 -0.02 0.00 -0.52 0.00 0.00 55.73 55.32 1n8j s ARG 142 Cb -0.20 -1.99 0.05 0.00 0.52 0.00 0.00 34.95 33.33 1n8j s ARG 142 CO 0.23 -2.08 0.02 0.34 0.02 0.00 0.00 175.30 173.83 1n8j s ASP 143 N -4.82 2.72 0.58 0.23 2.15 -1.26 -4.93 116.67 111.33 1n8j s ASP 143 Ca 0.71 -0.70 0.28 0.00 0.43 0.00 0.00 52.55 53.27 1n8j s ASP 143 Cb -0.05 -0.63 1.60 0.00 -0.30 0.00 0.00 42.92 43.54 1n8j s ASP 143 CO 0.50 -0.27 2.07 0.00 -0.17 0.00 0.00 175.17 177.30 1n8j h ALA 144 N 8.23 1.92 -0.31 3.66 0.00 -1.93 -1.43 119.26 129.40 1n8j h ALA 144 Ca -0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1n8j h ALA 144 Cb 1.12 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1n8j h ALA 144 CO 0.33 -0.36 -0.11 0.66 0.00 0.00 0.00 179.25 179.77 1n8j h SER 145 N 0.00 0.51 -0.40 0.00 4.64 -1.95 -1.61 113.55 114.74 1n8j h SER 145 Ca 0.11 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 61.20 1n8j h SER 145 Cb 0.59 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1n8j h SER 145 CO -0.00 0.66 -0.12 0.44 -0.87 0.00 0.00 176.83 176.93 1n8j h ASP 146 N 0.49 0.86 0.48 4.97 3.45 -1.70 -2.46 116.42 122.51 1n8j h ASP 146 Ca 0.09 -0.27 -0.02 0.00 0.43 0.00 0.00 57.03 57.26 1n8j h ASP 146 Cb 0.49 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.03 1n8j h ASP 146 CO 0.03 0.99 -0.23 0.25 -1.57 0.00 0.00 179.24 178.71 1n8j h LEU 147 N 0.77 -0.55 -1.05 1.55 5.85 -1.39 -2.56 115.31 117.93 1n8j h LEU 147 Ca 0.12 -0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.96 1n8j h LEU 147 Cb 0.64 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 1n8j h LEU 147 CO 0.04 -0.30 0.62 -0.07 -0.34 0.00 0.00 178.44 178.39 1n8j h LEU 148 N -0.78 0.83 -0.20 2.25 3.38 -1.25 0.75 115.31 120.29 1n8j h LEU 148 Ca -0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n8j h LEU 148 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1n8j h LEU 148 CO 0.11 0.37 0.13 -0.09 0.09 0.00 0.00 178.44 179.05 1n8j h ARG 149 N 0.85 0.27 -0.25 1.13 2.43 -1.30 0.75 114.38 118.26 1n8j h ARG 149 Ca 0.53 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.55 1n8j h ARG 149 Cb 0.72 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1n8j h ARG 149 CO -0.31 0.19 -0.39 0.87 -1.51 0.00 0.00 179.97 178.82 1n8j h LYS 150 N 0.26 0.58 -0.01 0.20 1.57 -0.90 -1.36 116.57 116.92 1n8j h LYS 150 Ca 0.07 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1n8j h LYS 150 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1n8j h LYS 150 CO -0.02 0.88 0.01 0.82 -0.57 0.00 0.00 179.45 180.57 1n8j h ILE 151 N 0.48 1.07 -0.70 1.86 2.04 -0.51 0.23 117.51 121.99 1n8j h ILE 151 Ca 0.04 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.73 1n8j h ILE 151 Cb 0.90 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1n8j h ILE 151 CO 0.08 0.05 0.44 0.11 0.00 0.00 0.00 178.15 178.84 1n8j h LYS 152 N -0.06 0.85 -0.74 2.37 1.57 -0.75 0.35 116.57 120.17 1n8j h LYS 152 Ca 0.00 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1n8j h LYS 152 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1n8j h LYS 152 CO -0.00 0.57 0.23 0.00 -0.57 0.00 0.00 179.45 179.68 1n8j h ALA 153 N 1.29 0.96 -0.49 3.86 0.00 -1.00 0.74 119.26 124.62 1n8j h ALA 153 Ca 0.27 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1n8j h ALA 153 Cb -0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1n8j h ALA 153 CO -0.09 0.64 0.15 0.00 0.00 0.00 0.00 179.25 179.95 1n8j h ALA 154 N 1.12 0.64 0.00 0.00 0.00 0.50 -1.51 119.26 120.02 1n8j h ALA 154 Ca 0.24 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1n8j h ALA 154 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1n8j h ALA 154 CO -0.01 0.30 -0.35 1.96 0.00 0.00 0.00 179.25 181.16 1n8j h GLN 155 N 0.66 0.00 -0.19 0.00 4.20 0.03 -2.77 115.11 117.05 1n8j h GLN 155 Ca 0.16 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 1n8j h GLN 155 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1n8j h GLN 155 CO -0.00 0.35 -0.43 -0.92 -0.67 0.00 0.00 178.83 177.16 1n8j h TYR 156 N 0.00 0.80 0.00 2.96 3.20 -0.27 -2.82 116.97 120.83 1n8j h TYR 156 Ca -0.00 -0.30 -0.05 0.00 3.14 0.00 0.00 58.73 61.52 1n8j h TYR 156 Cb 0.65 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1n8j h TYR 156 CO 0.00 1.06 -0.25 -0.39 -1.64 0.00 0.00 178.16 176.94 1n8j h VAL 157 N 0.30 0.64 -0.18 1.81 -1.51 -1.18 -2.20 116.25 113.93 1n8j h VAL 157 Ca 0.00 -1.14 -0.21 0.00 -1.23 0.00 0.00 66.70 64.12 1n8j h VAL 157 Cb 1.03 1.75 0.01 0.00 -2.13 0.00 0.00 31.29 31.95 1n8j h VAL 157 CO 0.09 0.24 -0.71 0.00 -1.23 0.00 0.00 177.57 175.96 1n8j h ALA 158 N 1.75 0.38 -0.15 5.19 0.00 -1.48 -3.18 119.26 121.77 1n8j h ALA 158 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1n8j h ALA 158 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1n8j h ALA 158 CO 0.03 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1n8j n ALA 159 N -2.59 2.53 -3.12 0.00 0.00 -1.07 -4.49 120.51 111.77 1n8j n ALA 159 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1n8j n ALA 159 Cb 0.71 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 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 0.28 -1.24 -1.69 0.00 -0.00 -0.84 -5.07 115.22 106.66 1n8j n HIS 160 Ca 0.16 -3.05 -0.43 0.00 -0.00 0.00 0.00 57.72 54.41 1n8j n HIS 160 Cb 0.32 0.23 -0.01 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 1.80 2.04 0.00 -0.41 -0.02 -1.25 -1.89 135.00 135.27 1n8j n PRO 161 Ca 0.20 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1n8j n PRO 161 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.81 2.52 3.57 -1.23 0.00 -1.26 -5.04 105.19 104.55 1n8j n GLY 162 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.81 2.63 0.17 1.61 2.02 -0.79 -3.69 118.70 119.84 1n8j s GLU 163 Ca 0.00 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.44 1n8j s GLU 163 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1n8j s GLU 163 CO 0.00 0.64 -0.17 0.14 0.02 0.00 0.00 175.26 175.88 1n8j s VAL 164 N -0.86 1.78 -0.30 2.63 -7.23 -0.18 -4.73 120.40 111.51 1n8j s VAL 164 Ca 0.14 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 1n8j s VAL 164 Cb -0.11 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1n8j s VAL 164 CO 0.03 -0.36 0.18 0.00 -0.31 0.00 0.00 175.10 174.64 1n8j s PRO 166 N 1.70 -1.57 0.40 0.00 0.04 -1.26 -4.86 135.00 129.45 1n8j s PRO 166 Ca 0.06 0.02 -0.26 0.00 0.04 0.00 0.00 61.00 60.86 1n8j s PRO 166 Cb -0.16 -1.55 -0.11 0.00 0.04 0.00 0.00 34.50 32.72 1n8j s PRO 166 CO 0.09 -3.96 1.20 0.00 0.04 0.00 0.00 177.00 174.37 1n8j n ALA 167 N -4.95 0.94 -0.80 8.56 0.00 -1.26 -2.13 120.51 120.86 1n8j n ALA 167 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1n8j n ALA 167 Cb 0.59 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1n8j n ALA 167 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n8j n LYS 168 N 0.20 -0.53 -1.56 0.00 5.02 -1.26 -4.94 118.16 115.09 1n8j n LYS 168 Ca 0.07 0.13 -0.45 0.00 -2.02 0.00 0.00 58.31 56.04 1n8j n LYS 168 Cb 0.38 -4.04 -0.02 0.00 -0.02 0.00 0.00 35.03 31.34 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 -2.13 1.01 -4.12 2.13 -0.00 -0.91 -5.00 117.44 108.41 1n8j n TRP 169 Ca 0.00 0.74 -0.11 0.00 -0.00 0.00 0.00 57.50 58.14 1n8j n TRP 169 Cb 0.13 -2.21 -0.10 0.00 -0.00 0.00 0.00 31.31 29.13 1n8j n TRP 169 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1n8j s LYS 170 N -1.42 0.71 0.37 5.87 1.02 -1.26 -4.94 119.74 120.09 1n8j s LYS 170 Ca 0.60 -1.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.18 1n8j s LYS 170 Cb -0.74 -0.16 -0.12 0.00 -0.52 0.00 0.00 37.83 36.29 1n8j s LYS 170 CO 0.59 -0.01 1.21 0.39 -0.92 0.00 0.00 175.35 176.61 1n8j n GLU 171 N 0.42 1.87 -0.17 1.68 1.02 -1.26 -2.08 120.64 122.12 1n8j n GLU 171 Ca -0.16 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1n8j n GLU 171 Cb 0.59 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 0.89 1.50 3.96 0.62 0.00 -1.26 -5.04 105.19 105.86 1n8j n GLY 172 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.41 3.11 0.55 1.61 2.02 -0.89 -5.07 118.70 119.62 1n8j s GLU 173 Ca 0.00 -0.55 -0.20 0.00 0.02 0.00 0.00 54.97 54.24 1n8j s GLU 173 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 1n8j s GLU 173 CO 0.00 -0.18 1.17 0.00 0.02 0.00 0.00 175.26 176.27 1n8j s ALA 174 N -2.48 2.68 0.52 5.21 0.00 -1.26 -4.95 121.76 121.48 1n8j s ALA 174 Ca 0.47 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.38 1n8j s ALA 174 Cb -0.10 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1n8j s ALA 174 CO 0.37 -0.93 0.09 0.95 0.00 0.00 0.00 175.76 176.24 1n8j s THR 175 N -1.65 1.25 0.15 0.00 -4.23 -1.26 -4.77 115.64 105.12 1n8j s THR 175 Ca 0.73 -1.88 0.08 0.00 -1.18 0.00 0.00 61.69 59.44 1n8j s THR 175 Cb -0.28 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1n8j s THR 175 CO 0.31 0.00 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.55 1n8j s LEU 176 N -3.98 3.07 -0.43 4.79 1.43 -0.51 -4.96 118.68 118.09 1n8j s LEU 176 Ca 0.11 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1n8j s LEU 176 Cb 0.01 -1.80 0.12 0.00 0.03 0.00 0.00 46.19 44.55 1n8j s LEU 176 CO 0.07 0.13 0.20 0.00 0.23 0.00 0.00 176.35 176.97 1n8j s ALA 177 N -1.51 2.48 -0.10 4.21 0.00 -1.26 -1.01 121.76 124.56 1n8j s ALA 177 Ca 0.24 -2.64 -0.40 0.00 0.00 0.00 0.00 51.96 49.16 1n8j s ALA 177 Cb -0.10 -1.94 -0.18 0.00 0.00 0.00 0.00 23.12 20.90 1n8j s ALA 177 CO 0.15 -1.94 1.37 -2.30 0.00 0.00 0.00 175.76 173.04 1n8j n PRO 178 N 3.71 0.59 -3.78 0.00 -0.02 -1.24 -4.96 135.00 129.29 1n8j n PRO 178 Ca 0.05 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 1n8j n PRO 178 Cb 0.36 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.29 -0.15 0.22 2.55 1.04 -1.26 -5.05 113.70 112.33 1n8j s SER 179 Ca 0.92 -0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.73 1n8j s SER 179 Cb -1.17 0.50 0.18 0.00 0.10 0.00 0.00 66.02 65.64 1n8j s SER 179 CO 0.59 -0.95 1.71 0.25 0.98 0.00 0.00 173.24 175.82 1n8j h LEU 180 N 2.36 0.96 -1.43 2.42 6.46 -1.99 -2.92 115.31 121.17 1n8j h LEU 180 Ca -0.31 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 1n8j h LEU 180 Cb 1.25 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1n8j h LEU 180 CO 0.43 0.98 0.06 -0.78 -0.62 0.00 0.00 178.44 178.52 1n8j h ASP 181 N 0.92 0.40 1.06 1.25 1.82 -1.98 -2.56 116.42 117.33 1n8j h ASP 181 Ca 0.18 -0.05 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1n8j h ASP 181 Cb 0.47 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 1n8j h ASP 181 CO 0.02 0.42 -0.13 0.25 -1.61 0.00 0.00 179.24 178.18 1n8j h LEU 182 N 0.43 0.00 -9.04 2.28 6.46 -1.89 -3.43 115.31 110.13 1n8j h LEU 182 Ca 0.10 0.00 -0.64 0.00 -0.12 0.00 0.00 57.88 57.22 1n8j h LEU 182 Cb 0.19 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1n8j h LEU 182 CO -0.00 0.13 1.21 0.52 -0.62 0.00 0.00 178.44 179.68 1n8j n VAL 183 N -3.26 0.43 -0.10 1.05 0.31 -0.97 -0.88 118.33 114.91 1n8j n VAL 183 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1n8j n VAL 183 Cb 0.40 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 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 5.09 1.76 0.08 2.92 0.00 -1.26 -4.92 105.19 108.86 1n8j n GLY 184 Ca 0.29 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.44 1n8j n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n8j n LYS 185 N -2.00 0.43 0.00 1.61 5.02 -0.06 -5.27 118.16 117.90 1n8j n LYS 185 Ca 0.00 -0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.24 1n8j n LYS 185 Cb 0.00 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.64 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99