#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 1.65 -4.67 1.04 4.77 -1.26 -4.94 117.00 113.59 1n8j n LEU 2 Ca 0.00 -0.69 -0.45 0.00 -0.03 0.00 0.00 56.01 54.84 1n8j n LEU 2 Cb 0.00 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1n8j n LEU 2 CO 0.00 0.35 1.02 0.00 -1.33 0.00 0.00 177.39 177.43 1n8j n ILE 3 N 0.31 0.94 -1.99 -0.08 0.13 -1.26 -1.70 119.36 115.71 1n8j n ILE 3 Ca 0.16 -0.24 -0.14 0.00 -1.10 0.00 0.00 62.75 61.43 1n8j n ILE 3 Cb 0.32 -1.49 -0.02 0.00 -0.84 0.00 0.00 39.64 37.61 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 2.17 -4.48 -4.48 9.51 4.05 -0.13 -4.99 115.26 116.90 1n8j n ASN 4 Ca 0.12 0.11 -0.24 0.00 0.45 0.00 0.00 54.58 55.01 1n8j n ASN 4 Cb 0.32 -3.51 -0.10 0.00 1.23 0.00 0.00 39.78 37.71 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 -2.65 2.53 -0.03 -0.44 -4.23 -0.69 -4.85 115.64 105.28 1n8j s THR 5 Ca 0.00 -2.35 -0.23 0.00 -1.18 0.00 0.00 61.69 57.93 1n8j s THR 5 Cb 0.00 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.47 1n8j s THR 5 CO 0.00 -0.38 0.68 -0.75 -0.54 0.00 0.00 174.62 173.63 1n8j s LYS 6 N -3.47 4.42 0.73 3.99 2.20 -1.26 -1.36 119.74 125.00 1n8j s LYS 6 Ca 0.30 0.87 -0.15 0.00 -0.36 0.00 0.00 55.97 56.62 1n8j s LYS 6 Cb -0.05 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 1n8j s LYS 6 CO 0.15 0.18 1.24 0.96 -0.36 0.00 0.00 175.35 177.52 1n8j s ILE 7 N 0.41 2.07 0.28 5.43 -4.36 -0.30 -4.99 121.20 119.74 1n8j s ILE 7 Ca 0.36 0.04 -0.06 0.00 -0.26 0.00 0.00 60.65 60.72 1n8j s ILE 7 Cb -0.18 -2.71 -0.06 0.00 1.25 0.00 0.00 42.46 40.76 1n8j s ILE 7 CO 0.19 -0.02 0.56 -0.54 0.24 0.00 0.00 174.94 175.37 1n8j s LYS 8 N -3.79 3.67 0.70 0.37 1.02 -1.26 -5.05 119.74 115.41 1n8j s LYS 8 Ca 0.77 0.09 -0.16 0.00 0.02 0.00 0.00 55.97 56.68 1n8j s LYS 8 Cb -0.32 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1n8j s LYS 8 CO 0.45 0.23 1.22 -0.35 -0.92 0.00 0.00 175.35 175.97 1n8j n PRO 9 N -0.77 0.78 -3.67 -1.68 -0.04 -1.26 -4.88 135.00 123.47 1n8j n PRO 9 Ca -0.01 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.69 1n8j n PRO 9 Cb 0.54 -2.46 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1n8j s PHE 10 N -1.64 -0.33 -0.27 0.54 -0.12 -1.26 -4.97 117.98 109.93 1n8j s PHE 10 Ca 0.79 -0.02 -0.00 0.00 -0.05 0.00 0.00 56.93 57.64 1n8j s PHE 10 Cb -0.35 0.64 0.15 0.00 -0.63 0.00 0.00 43.02 42.82 1n8j s PHE 10 CO 0.44 -1.07 0.40 0.21 -0.05 0.00 0.00 175.22 175.16 1n8j s LYS 11 N -3.85 0.39 0.21 1.99 2.20 -1.26 -3.10 119.74 116.33 1n8j s LYS 11 Ca 0.07 0.37 0.07 0.00 -0.36 0.00 0.00 55.97 56.11 1n8j s LYS 11 Cb -0.04 -0.35 -0.05 0.00 -1.51 0.00 0.00 37.83 35.88 1n8j s LYS 11 CO -0.02 -0.82 -0.11 -0.80 -0.36 0.00 0.00 175.35 173.24 1n8j s ASN 12 N 2.56 2.46 -0.06 1.43 -0.87 -0.46 -4.96 114.94 115.03 1n8j s ASN 12 Ca 0.12 -1.07 -0.13 0.00 -1.57 0.00 0.00 52.86 50.21 1n8j s ASN 12 Cb -0.14 -0.12 -0.05 0.00 -0.02 0.00 0.00 41.25 40.92 1n8j s ASN 12 CO -0.23 -0.25 0.32 -1.10 -2.57 0.00 0.00 177.10 173.28 1n8j s GLN 13 N -3.69 3.86 0.11 -0.60 -1.52 -1.26 -0.05 119.66 116.51 1n8j s GLN 13 Ca 0.24 0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.87 1n8j s GLN 13 Cb 0.01 -3.25 -0.04 0.00 -0.22 0.00 0.00 33.01 29.50 1n8j s GLN 13 CO 0.07 0.62 -0.02 0.00 -0.25 0.00 0.00 175.29 175.72 1n8j s ALA 14 N -0.76 0.90 -0.14 6.09 0.00 -0.18 -0.93 121.76 126.75 1n8j s ALA 14 Ca 0.20 -1.39 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 1n8j s ALA 14 Cb -0.15 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1n8j s ALA 14 CO 0.09 -0.34 -0.06 0.12 0.00 0.00 0.00 175.76 175.57 1n8j s PHE 15 N -3.80 2.98 -0.19 0.00 5.36 0.15 -1.75 117.98 120.72 1n8j s PHE 15 Ca 0.15 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 1n8j s PHE 15 Cb 0.07 -1.91 0.10 0.00 -0.34 0.00 0.00 43.02 40.93 1n8j s PHE 15 CO -0.03 -0.03 0.30 0.21 -1.46 0.00 0.00 175.22 174.21 1n8j s LYS 16 N 0.24 0.24 -0.89 10.12 2.20 -0.10 0.28 119.74 131.83 1n8j s LYS 16 Ca -0.04 0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1n8j s LYS 16 Cb -0.14 -0.49 0.01 0.00 -1.51 0.00 0.00 37.83 35.69 1n8j s LYS 16 CO 0.03 -0.50 0.64 0.09 -0.36 0.00 0.00 175.35 175.24 1n8j n ASN 17 N 5.35 -5.12 0.00 1.43 3.02 -1.26 -2.22 115.26 116.46 1n8j n ASN 17 Ca -0.05 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1n8j n ASN 17 Cb 0.50 -2.19 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 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 -1.73 0.70 3.13 7.41 0.00 -1.26 -5.00 105.19 108.45 1n8j n GLY 18 Ca -0.24 0.00 -0.09 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 -0.30 0.84 -0.21 1.61 -1.05 -0.94 -5.14 118.70 113.51 1n8j s GLU 19 Ca 0.00 -1.38 -0.09 0.00 -0.15 0.00 0.00 54.97 53.35 1n8j s GLU 19 Cb 0.00 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 1n8j s GLU 19 CO 0.00 -0.22 0.11 -0.06 0.95 0.00 0.00 175.26 176.05 1n8j s PHE 20 N -4.01 3.31 0.27 4.83 0.08 -1.26 -0.92 117.98 120.28 1n8j s PHE 20 Ca 0.19 0.18 0.03 0.00 0.12 0.00 0.00 56.93 57.45 1n8j s PHE 20 Cb 0.08 -2.17 -0.06 0.00 -0.57 0.00 0.00 43.02 40.30 1n8j s PHE 20 CO -0.01 0.15 0.05 0.96 -0.10 0.00 0.00 175.22 176.26 1n8j s ILE 21 N 0.64 0.92 -0.07 0.64 -4.36 -0.72 -4.99 121.20 113.25 1n8j s ILE 21 Ca 0.06 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 1n8j s ILE 21 Cb -0.12 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1n8j s ILE 21 CO 0.01 -0.11 0.02 -0.70 0.24 0.00 0.00 174.94 174.40 1n8j s GLU 22 N -3.93 3.01 -0.14 0.37 2.12 -1.26 -1.01 118.70 117.85 1n8j s GLU 22 Ca 0.34 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1n8j s GLU 22 Cb 0.07 -2.82 0.02 0.00 0.26 0.00 0.00 34.13 31.67 1n8j s GLU 22 CO 0.13 0.70 -0.12 0.08 -0.54 0.00 0.00 175.26 175.50 1n8j s VAL 23 N -0.94 1.41 0.43 3.70 1.01 0.93 -4.94 120.40 122.00 1n8j s VAL 23 Ca 0.15 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1n8j s VAL 23 Cb -0.11 -1.36 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 1n8j s VAL 23 CO 0.04 0.42 0.01 0.42 0.00 0.00 0.00 175.10 175.99 1n8j s THR 24 N 1.55 1.85 -1.01 3.92 -4.23 -1.26 -1.36 115.64 115.10 1n8j s THR 24 Ca 0.05 -1.99 0.11 0.00 -1.18 0.00 0.00 61.69 58.67 1n8j s THR 24 Cb -0.13 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 70.96 1n8j s THR 24 CO -0.10 0.00 1.35 -1.84 -0.54 0.00 0.00 174.62 173.49 1n8j n GLU 25 N -1.03 0.00 0.17 3.99 0.00 -1.18 -1.44 120.64 121.15 1n8j n GLU 25 Ca -0.08 0.31 0.04 0.00 0.00 0.00 0.00 57.16 57.43 1n8j n GLU 25 Cb 0.67 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.88 1n8j n GLU 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1n8j h LYS 26 N 0.00 0.00 0.00 3.44 6.56 -1.95 -2.80 116.57 121.82 1n8j h LYS 26 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1n8j h LYS 26 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1n8j h LYS 26 CO 0.00 0.44 0.00 -0.25 -2.06 0.00 0.00 179.45 177.58 1n8j n ASP 27 N -3.56 0.62 -0.04 0.86 8.00 -0.52 -3.30 116.55 118.61 1n8j n ASP 27 Ca -0.00 0.59 -0.06 0.00 0.71 0.00 0.00 54.79 56.02 1n8j n ASP 27 Cb 0.55 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.77 1n8j n ASP 27 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1n8j n THR 28 N -2.11 1.37 -1.68 -3.53 -2.24 -1.07 -4.90 114.28 100.12 1n8j n THR 28 Ca 0.05 -0.78 -0.45 0.00 -2.27 0.00 0.00 64.05 60.59 1n8j n THR 28 Cb 0.34 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 1n8j n THR 28 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n8j n GLU 29 N -2.87 2.24 -0.43 -0.78 1.02 -1.16 -1.62 120.64 117.04 1n8j n GLU 29 Ca -0.21 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1n8j n GLU 29 Cb 1.03 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1n8j n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n8j n GLY 30 N 3.50 0.77 3.41 0.62 0.00 -0.90 -5.05 105.19 107.53 1n8j n GLY 30 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.57 1.28 -0.03 1.61 0.52 -0.64 -4.91 118.95 116.20 1n8j s ARG 31 Ca 0.00 -1.19 -0.21 0.00 -0.52 0.00 0.00 55.73 53.80 1n8j s ARG 31 Cb 0.00 0.41 -0.05 0.00 0.52 0.00 0.00 34.95 35.83 1n8j s ARG 31 CO 0.00 -0.49 0.62 -1.58 0.02 0.00 0.00 175.30 173.87 1n8j s TRP 32 N -3.98 3.64 0.10 -0.53 0.52 -1.17 -2.61 118.94 114.91 1n8j s TRP 32 Ca 0.19 1.20 0.07 0.00 0.02 0.00 0.00 56.10 57.58 1n8j s TRP 32 Cb 0.02 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.64 1n8j s TRP 32 CO 0.03 0.26 -0.17 -1.12 0.02 0.00 0.00 176.95 175.96 1n8j s SER 33 N 0.16 2.18 -0.14 2.95 0.01 0.56 -0.00 113.70 119.41 1n8j s SER 33 Ca 0.33 -0.71 -0.00 0.00 1.31 0.00 0.00 55.95 56.88 1n8j s SER 33 Cb -0.18 -0.10 0.03 0.00 0.21 0.00 0.00 66.02 65.98 1n8j s SER 33 CO 0.17 -0.03 -0.09 -0.69 0.41 0.00 0.00 173.24 173.01 1n8j s VAL 34 N -1.48 1.26 -0.41 3.43 1.01 -0.01 -0.12 120.40 124.07 1n8j s VAL 34 Ca 0.05 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.36 1n8j s VAL 34 Cb -0.09 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.04 1n8j s VAL 34 CO 0.04 0.32 0.30 -0.36 0.00 0.00 0.00 175.10 175.40 1n8j s PHE 35 N 1.60 3.24 -0.50 5.22 0.40 0.43 -1.33 117.98 127.05 1n8j s PHE 35 Ca 0.03 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.57 1n8j s PHE 35 Cb -0.14 -2.64 0.12 0.00 0.51 0.00 0.00 43.02 40.88 1n8j s PHE 35 CO -0.09 -0.62 0.41 0.12 0.70 0.00 0.00 175.22 175.74 1n8j s PHE 36 N 1.66 3.33 0.03 0.36 5.36 0.53 -0.70 117.98 128.57 1n8j s PHE 36 Ca 0.05 -1.54 -0.19 0.00 -0.96 0.00 0.00 56.93 54.29 1n8j s PHE 36 Cb -0.20 -3.56 -0.06 0.00 -0.34 0.00 0.00 43.02 38.86 1n8j s PHE 36 CO 0.09 -0.98 0.54 -0.06 -1.46 0.00 0.00 175.22 173.35 1n8j s PHE 37 N 1.49 3.75 -0.02 10.12 0.40 0.18 0.11 117.98 134.01 1n8j s PHE 37 Ca 0.04 1.19 -0.09 0.00 -0.60 0.00 0.00 56.93 57.47 1n8j s PHE 37 Cb -0.27 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.78 1n8j s PHE 37 CO 0.02 0.53 0.19 1.52 0.70 0.00 0.00 175.22 178.17 1n8j s TYR 38 N -0.82 -0.06 0.01 0.36 -0.85 0.44 -2.87 117.35 113.55 1n8j s TYR 38 Ca 0.28 0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.90 1n8j s TYR 38 Cb -0.19 0.01 -0.00 0.00 0.38 0.00 0.00 41.96 42.16 1n8j s TYR 38 CO 0.17 -0.27 1.03 -1.35 -1.52 0.00 0.00 175.55 173.60 1n8j h PRO 39 N 4.49 -0.01 -2.73 -3.49 0.11 -1.75 -3.37 132.00 125.25 1n8j h PRO 39 Ca -0.30 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1n8j h PRO 39 Cb 1.19 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.13 1n8j h PRO 39 CO 0.40 -0.01 -0.03 0.00 -0.21 0.00 0.00 178.00 178.15 1n8j s ALA 40 N -3.87 -1.23 1.08 -0.75 0.00 -1.26 -4.07 121.76 111.66 1n8j s ALA 40 Ca -0.01 0.62 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 1n8j s ALA 40 Cb 0.00 0.24 0.23 0.00 0.00 0.00 0.00 23.12 23.59 1n8j s ALA 40 CO 0.03 -0.42 1.09 -0.51 0.00 0.00 0.00 175.76 175.94 1n8j s ASP 41 N -1.70 1.91 -1.23 0.00 1.11 -1.26 -3.88 116.67 111.62 1n8j s ASP 41 Ca -0.08 1.06 -0.00 0.00 0.18 0.00 0.00 52.55 53.71 1n8j s ASP 41 Cb -0.01 -1.64 0.00 0.00 1.07 0.00 0.00 42.92 42.34 1n8j s ASP 41 CO 0.02 -3.56 0.00 0.49 1.18 0.00 0.00 175.17 173.29 1n8j n PHE 42 N -4.44 -1.32 -1.99 4.23 3.01 -1.26 -4.95 117.46 110.73 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 0.58 -3.05 0.00 0.00 -0.01 0.00 0.00 39.48 37.00 1n8j n PHE 42 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1n8j n THR 43 N -3.54 0.00 -0.02 4.37 -2.24 -1.25 -5.13 114.28 106.47 1n8j n THR 43 Ca -0.17 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1n8j n THR 43 Cb 0.63 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.18 4.78 3.72 -1.26 -4.62 117.46 119.90 1n8j n PHE 44 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 1n8j n PHE 44 Cb 0.00 -0.12 0.01 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.23 1.21 -0.58 -4.37 2.07 -1.98 -3.28 116.25 109.09 1n8j h VAL 45 Ca 0.00 -0.62 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1n8j h VAL 45 Cb 0.23 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 1n8j h VAL 45 CO 0.00 0.24 -0.08 0.28 0.02 0.00 0.00 177.57 178.02 1n8j h SER 46 N 0.68 -0.42 -0.47 0.57 0.02 -1.90 -2.21 113.55 109.81 1n8j h SER 46 Ca 0.17 0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1n8j h SER 46 Cb 0.17 0.32 -0.05 0.00 0.14 0.00 0.00 62.40 62.97 1n8j h SER 46 CO -0.02 -0.16 0.16 -0.65 -1.14 0.00 0.00 176.83 175.02 1n8j h PRO 47 N 0.04 0.31 -0.56 3.45 0.11 -1.82 0.39 132.00 133.93 1n8j h PRO 47 Ca 0.29 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.40 1n8j h PRO 47 Cb 0.45 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.46 1n8j h PRO 47 CO -0.55 0.21 0.37 1.79 -0.21 0.00 0.00 178.00 179.60 1n8j h THR 48 N 0.32 1.12 -0.02 -1.15 1.35 -1.54 0.47 112.91 113.45 1n8j h THR 48 Ca 0.22 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.81 1n8j h THR 48 Cb 0.24 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1n8j h THR 48 CO -0.24 0.13 -0.09 -0.33 -0.25 0.00 0.00 175.52 174.75 1n8j h GLU 49 N 0.72 0.10 -0.23 4.72 5.08 -0.75 -0.14 114.58 124.08 1n8j h GLU 49 Ca 0.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1n8j h GLU 49 Cb -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1n8j h GLU 49 CO -0.05 0.71 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.59 1n8j h LEU 50 N -0.49 0.32 -0.13 1.33 3.38 0.14 -1.79 115.31 118.07 1n8j h LEU 50 Ca -0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1n8j h LEU 50 Cb 0.73 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1n8j h LEU 50 CO 0.02 0.38 -0.41 1.23 0.09 0.00 0.00 178.44 179.75 1n8j h GLY 51 N 0.66 0.56 0.43 0.83 0.00 -0.04 -2.15 103.07 103.37 1n8j h GLY 51 Ca 0.08 -0.73 0.05 0.00 0.00 0.00 0.00 47.33 46.72 1n8j h GLY 51 CO 0.01 0.66 -0.15 -1.80 0.00 0.00 0.00 176.54 175.25 1n8j h ASP 52 N 0.12 -0.47 -0.58 0.19 -0.00 -0.62 0.54 116.42 115.61 1n8j h ASP 52 Ca -0.01 0.09 0.06 0.00 -0.00 0.00 0.00 57.03 57.17 1n8j h ASP 52 Cb 1.04 0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 40.56 1n8j h ASP 52 CO 0.09 -0.19 0.39 0.58 -0.00 0.00 0.00 179.24 180.10 1n8j h VAL 53 N -0.17 0.99 -0.03 2.25 2.07 -1.35 0.12 116.25 120.13 1n8j h VAL 53 Ca 0.10 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1n8j h VAL 53 Cb 0.32 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1n8j h VAL 53 CO -0.26 0.10 -0.42 0.00 0.02 0.00 0.00 177.57 177.01 1n8j h ALA 54 N 1.68 1.24 0.00 1.67 0.00 -0.33 -1.94 119.26 121.59 1n8j h ALA 54 Ca 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 54 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1n8j h ALA 54 CO -0.07 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 1n8j n ASP 55 N -4.03 0.00 0.00 0.00 8.00 0.41 -2.44 116.55 118.49 1n8j n ASP 55 Ca -0.02 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1n8j n ASP 55 Cb 0.46 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1n8j n ASP 55 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1n8j n HIS 56 N -1.47 0.00 -0.22 1.24 8.25 -0.88 -4.76 115.22 117.38 1n8j n HIS 56 Ca 0.05 -0.39 -0.02 0.00 -0.26 0.00 0.00 57.72 57.10 1n8j n HIS 56 Cb 0.21 -0.04 0.09 0.00 1.12 0.00 0.00 29.99 31.37 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 0.00 0.63 -0.04 4.41 3.20 -1.03 -1.80 116.97 122.34 1n8j h TYR 57 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1n8j h TYR 57 Cb 0.43 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 1n8j h TYR 57 CO 0.00 0.29 -0.37 0.93 -1.64 0.00 0.00 178.16 177.38 1n8j h GLU 58 N 0.64 -0.48 -0.62 1.82 5.08 -1.86 0.15 114.58 119.30 1n8j h GLU 58 Ca 0.29 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.76 1n8j h GLU 58 Cb 0.19 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1n8j h GLU 58 CO -0.19 -0.32 0.27 1.49 -1.00 0.00 0.00 179.01 179.27 1n8j h GLU 59 N -0.50 0.47 -0.46 2.33 4.81 -1.84 -1.86 114.58 117.54 1n8j h GLU 59 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1n8j h GLU 59 Cb 0.60 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1n8j h GLU 59 CO -0.32 0.31 0.16 -0.07 -0.73 0.00 0.00 179.01 178.36 1n8j h LEU 60 N 0.49 0.65 -1.06 1.64 3.38 -0.66 -2.22 115.31 117.53 1n8j h LEU 60 Ca 0.30 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n8j h LEU 60 Cb 0.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1n8j h LEU 60 CO -0.27 0.67 0.52 1.56 0.09 0.00 0.00 178.44 181.01 1n8j h GLN 61 N 0.60 1.16 -0.90 1.13 1.08 -0.35 0.19 115.11 118.02 1n8j h GLN 61 Ca 0.15 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1n8j h GLN 61 Cb 0.24 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1n8j h GLN 61 CO -0.01 0.81 0.51 0.87 -0.95 0.00 0.00 178.83 180.07 1n8j h LYS 62 N 1.18 1.23 -0.08 1.46 1.57 -1.08 -0.65 116.57 120.21 1n8j h LYS 62 Ca 0.31 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1n8j h LYS 62 Cb -0.05 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.01 1n8j h LYS 62 CO -0.06 0.88 0.00 1.28 -0.57 0.00 0.00 179.45 180.99 1n8j n LEU 63 N -4.34 0.10 -1.80 2.94 4.77 -0.60 -4.85 117.00 113.21 1n8j n LEU 63 Ca 0.10 -0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1n8j n LEU 63 Cb 0.08 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1n8j n LEU 63 CO 0.38 0.02 -0.13 0.61 -1.33 0.00 0.00 177.39 176.95 1n8j n GLY 64 N 0.47 -0.21 3.69 -0.72 0.00 -0.25 -4.92 105.19 103.25 1n8j n GLY 64 Ca 0.00 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.80 4.81 -0.12 1.61 1.01 0.56 -3.05 120.40 122.42 1n8j s VAL 65 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1n8j s VAL 65 Cb -0.03 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1n8j s VAL 65 CO 0.08 0.52 -0.01 -1.81 0.00 0.00 0.00 175.10 173.88 1n8j s ASP 66 N -0.15 5.08 -0.14 3.32 1.01 1.00 -3.97 116.67 122.82 1n8j s ASP 66 Ca 0.07 0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.32 1n8j s ASP 66 Cb -0.12 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.14 1n8j s ASP 66 CO 0.01 0.27 -0.03 -0.69 0.21 0.00 0.00 175.17 174.95 1n8j s VAL 67 N -0.23 4.03 -0.15 -1.27 1.01 -1.26 -0.83 120.40 121.69 1n8j s VAL 67 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1n8j s VAL 67 Cb -0.12 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.55 1n8j s VAL 67 CO 0.02 0.52 -0.05 -0.31 0.00 0.00 0.00 175.10 175.28 1n8j s TYR 68 N 0.03 1.54 0.25 5.22 1.51 -0.45 -3.41 117.35 122.05 1n8j s TYR 68 Ca 0.01 -0.94 -0.13 0.00 -1.01 0.00 0.00 57.07 55.00 1n8j s TYR 68 Cb -0.13 -1.24 -0.08 0.00 -0.11 0.00 0.00 41.96 40.40 1n8j s TYR 68 CO 0.02 -0.58 0.64 -1.54 -1.11 0.00 0.00 175.55 172.99 1n8j s SER 69 N 1.69 6.76 -0.04 2.29 1.04 -0.82 -0.34 113.70 124.28 1n8j s SER 69 Ca 0.02 1.13 -0.01 0.00 0.48 0.00 0.00 55.95 57.57 1n8j s SER 69 Cb -0.15 -2.31 0.03 0.00 0.10 0.00 0.00 66.02 63.69 1n8j s SER 69 CO -0.08 -0.08 0.07 -0.69 0.98 0.00 0.00 173.24 173.45 1n8j s VAL 70 N -1.78 -0.05 0.16 5.02 1.01 0.31 -0.97 120.40 124.09 1n8j s VAL 70 Ca 0.48 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 1n8j s VAL 70 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1n8j s VAL 70 CO 0.19 0.08 0.16 -0.94 0.00 0.00 0.00 175.10 174.59 1n8j s SER 71 N 1.05 0.18 0.00 3.32 1.04 -1.21 -0.42 113.70 117.66 1n8j s SER 71 Ca -0.08 -1.11 0.11 0.00 0.48 0.00 0.00 55.95 55.35 1n8j s SER 71 Cb -0.12 0.37 0.51 0.00 0.10 0.00 0.00 66.02 66.88 1n8j s SER 71 CO -0.04 -0.82 1.36 0.35 0.98 0.00 0.00 173.24 175.07 1n8j n THR 72 N -0.17 0.14 -1.63 2.02 -2.24 -1.26 -1.10 114.28 110.04 1n8j n THR 72 Ca -0.05 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 1n8j n THR 72 Cb 0.64 0.04 0.13 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.27 3.57 0.67 3.42 1.01 -1.26 -3.33 116.67 119.48 1n8j s ASP 73 Ca 0.19 0.85 -0.04 0.00 0.71 0.00 0.00 52.55 54.26 1n8j s ASP 73 Cb 0.09 -1.34 0.06 0.00 1.01 0.00 0.00 42.92 42.75 1n8j s ASP 73 CO 0.14 -2.50 0.95 0.42 0.21 0.00 0.00 175.17 174.39 1n8j s THR 74 N -3.38 2.37 0.02 -1.27 -4.23 -1.26 -2.45 115.64 105.44 1n8j s THR 74 Ca 0.65 -0.42 0.28 0.00 -1.18 0.00 0.00 61.69 61.01 1n8j s THR 74 Cb -0.13 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.07 1n8j s THR 74 CO 0.52 0.00 1.85 1.12 -0.54 0.00 0.00 174.62 177.57 1n8j h HIS 75 N -0.41 0.00 -0.25 3.99 2.07 -1.88 -2.68 115.15 115.98 1n8j h HIS 75 Ca -0.43 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.02 1n8j h HIS 75 Cb 1.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.27 1n8j h HIS 75 CO 0.23 0.11 -0.14 0.74 -3.07 0.00 0.00 177.93 175.79 1n8j h PHE 76 N 0.00 0.63 -0.88 6.12 -1.00 -1.96 -2.30 116.94 117.55 1n8j h PHE 76 Ca -0.00 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.61 1n8j h PHE 76 Cb 0.71 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 1n8j h PHE 76 CO 0.00 0.81 0.53 1.15 -1.61 0.00 0.00 178.31 179.19 1n8j h THR 77 N 0.27 1.24 -0.38 -1.55 2.02 -1.88 -2.00 112.91 110.63 1n8j h THR 77 Ca 0.05 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.71 1n8j h THR 77 Cb 0.65 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1n8j h THR 77 CO 0.04 0.26 0.24 0.45 0.37 0.00 0.00 175.52 176.88 1n8j h HIS 78 N 1.21 0.46 -0.40 3.16 3.86 -1.37 0.27 115.15 122.34 1n8j h HIS 78 Ca 0.32 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.58 1n8j h HIS 78 Cb -0.05 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.23 1n8j h HIS 78 CO 0.00 0.28 0.17 -0.22 0.86 0.00 0.00 177.93 179.02 1n8j h LYS 79 N 0.49 0.34 -0.25 2.45 3.64 -0.98 0.87 116.57 123.14 1n8j h LYS 79 Ca 0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1n8j h LYS 79 Cb -0.04 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1n8j h LYS 79 CO -0.04 0.23 -0.05 0.00 -2.27 0.00 0.00 179.45 177.32 1n8j h ALA 80 N 1.24 1.47 -0.03 5.00 0.00 -0.88 -2.33 119.26 123.73 1n8j h ALA 80 Ca 0.18 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1n8j h ALA 80 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1n8j h ALA 80 CO -0.15 0.38 -0.87 2.35 0.00 0.00 0.00 179.25 180.96 1n8j h TRP 81 N 0.36 0.59 -0.21 0.00 7.01 -0.20 -2.31 115.95 121.19 1n8j h TRP 81 Ca 0.08 -0.30 0.04 0.00 2.11 0.00 0.00 58.89 60.82 1n8j h TRP 81 Cb 0.32 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1n8j h TRP 81 CO 0.01 1.10 -0.01 1.25 -2.79 0.00 0.00 178.44 178.00 1n8j h HIS 82 N 0.25 -0.03 -0.27 2.65 2.76 -0.41 -2.20 115.15 117.90 1n8j h HIS 82 Ca -0.06 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1n8j h HIS 82 Cb 1.48 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.47 1n8j h HIS 82 CO 0.05 -0.04 0.15 0.77 -1.30 0.00 0.00 177.93 177.56 1n8j h SER 83 N 0.06 0.34 1.18 3.26 0.02 -1.39 -3.16 113.55 113.85 1n8j h SER 83 Ca 0.10 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1n8j h SER 83 Cb 0.13 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1n8j h SER 83 CO -0.18 0.33 0.00 -1.54 -1.14 0.00 0.00 176.83 174.30 1n8j n SER 84 N -4.84 0.59 -4.34 3.07 3.41 -0.88 -4.85 113.62 105.79 1n8j n SER 84 Ca -0.02 0.58 -0.32 0.00 -0.26 0.00 0.00 58.87 58.85 1n8j n SER 84 Cb 0.08 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.15 1n8j n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n8j s SER 85 N -4.10 3.30 0.08 4.04 0.15 -0.84 -5.02 113.70 111.30 1n8j s SER 85 Ca 0.10 -0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.15 1n8j s SER 85 Cb 0.13 -0.61 -0.09 0.00 -1.71 0.00 0.00 66.02 63.74 1n8j s SER 85 CO 0.52 0.30 1.48 -0.33 1.20 0.00 0.00 173.24 176.41 1n8j h GLU 86 N 5.63 0.46 -0.11 5.44 4.39 -1.88 -0.77 114.58 127.74 1n8j h GLU 86 Ca -0.41 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 58.97 1n8j h GLU 86 Cb 1.14 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1n8j h GLU 86 CO 0.48 0.68 -0.59 0.00 -1.16 0.00 0.00 179.01 178.42 1n8j h THR 87 N 0.20 1.36 -0.10 1.13 1.03 -1.95 -3.21 112.91 111.38 1n8j h THR 87 Ca 0.06 -1.92 -0.20 0.00 -0.01 0.00 0.00 66.41 64.34 1n8j h THR 87 Cb 0.51 1.93 0.00 0.00 -1.07 0.00 0.00 68.15 69.51 1n8j h THR 87 CO 0.02 0.58 -0.76 0.40 -0.01 0.00 0.00 175.52 175.75 1n8j h ILE 88 N 0.27 1.35 -0.13 0.00 1.08 -1.85 -3.15 117.51 115.08 1n8j h ILE 88 Ca -0.00 -2.11 0.04 0.00 -0.39 0.00 0.00 64.86 62.40 1n8j h ILE 88 Cb 1.11 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.95 1n8j h ILE 88 CO 0.10 0.64 0.20 0.00 -0.69 0.00 0.00 178.15 178.40 1n8j h ALA 89 N 0.79 1.60 -0.30 1.87 0.00 -1.10 -0.57 119.26 121.56 1n8j h ALA 89 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n8j h ALA 89 Cb 1.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1n8j h ALA 89 CO 0.14 -0.26 0.00 0.36 0.00 0.00 0.00 179.25 179.49 1n8j n LYS 90 N -3.52 2.07 -3.07 0.00 2.85 -1.19 -4.82 118.16 110.49 1n8j n LYS 90 Ca 0.00 -1.23 -0.41 0.00 -1.05 0.00 0.00 58.31 55.63 1n8j n LYS 90 Cb 0.30 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 33.17 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 -1.64 4.97 -1.40 0.58 1.01 -0.22 -4.89 121.20 119.60 1n8j s ILE 91 Ca 0.22 1.25 0.15 0.00 0.00 0.00 0.00 60.65 62.27 1n8j s ILE 91 Cb 0.14 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1n8j s ILE 91 CO 0.12 0.05 0.82 0.29 0.00 0.00 0.00 174.94 176.22 1n8j n LYS 92 N 5.46 1.69 -2.59 2.79 5.02 -1.26 -4.69 118.16 124.58 1n8j n LYS 92 Ca 0.00 -0.85 -0.22 0.00 -2.02 0.00 0.00 58.31 55.23 1n8j n LYS 92 Cb 0.49 -1.23 0.05 0.00 -0.02 0.00 0.00 35.03 34.32 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 -1.68 2.66 0.12 2.13 -0.85 -1.26 -4.55 117.35 113.91 1n8j s TYR 93 Ca 0.13 -0.02 -0.31 0.00 -0.52 0.00 0.00 57.07 56.35 1n8j s TYR 93 Cb 0.12 -2.83 -0.07 0.00 0.38 0.00 0.00 41.96 39.56 1n8j s TYR 93 CO 0.34 -1.05 1.29 0.00 -1.52 0.00 0.00 175.55 174.61 1n8j s ALA 94 N -2.86 3.50 -0.40 9.51 0.00 -1.22 -4.64 121.76 125.65 1n8j s ALA 94 Ca 0.59 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 1n8j s ALA 94 Cb -0.10 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.60 1n8j s ALA 94 CO 0.40 -0.51 0.22 -1.64 0.00 0.00 0.00 175.76 174.23 1n8j s MET 95 N 0.71 2.64 0.02 0.00 -1.94 0.14 -1.94 119.30 118.93 1n8j s MET 95 Ca 0.60 -1.35 -0.23 0.00 -1.71 0.00 0.00 55.69 53.00 1n8j s MET 95 Cb -0.34 -3.72 -0.05 0.00 2.01 0.00 0.00 34.83 32.73 1n8j s MET 95 CO 0.32 -0.86 0.68 0.42 -0.01 0.00 0.00 175.02 175.57 1n8j s ILE 96 N 1.44 4.83 -0.21 2.53 1.01 -0.15 0.32 121.20 130.96 1n8j s ILE 96 Ca 0.02 1.44 -0.10 0.00 0.00 0.00 0.00 60.65 62.02 1n8j s ILE 96 Cb -0.22 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1n8j s ILE 96 CO 0.03 0.38 0.13 -0.83 0.00 0.00 0.00 174.94 174.65 1n8j s GLY 97 N -0.09 1.99 -0.56 6.18 0.00 -0.10 -3.32 107.32 111.41 1n8j s GLY 97 Ca 0.35 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 44.35 1n8j s GLY 97 CO 0.20 0.24 0.77 1.34 0.00 0.00 0.00 173.10 175.65 1n8j n ASP 98 N 3.86 3.17 0.22 1.64 2.03 -0.26 -4.15 116.55 123.06 1n8j n ASP 98 Ca -0.16 -3.36 0.07 0.00 0.52 0.00 0.00 54.79 51.86 1n8j n ASP 98 Cb 0.52 -0.63 0.51 0.00 -0.72 0.00 0.00 41.12 40.80 1n8j n ASP 98 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1n8j h PRO 99 N 3.70 0.00 0.00 -0.67 0.13 -1.69 -2.35 132.00 131.12 1n8j h PRO 99 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1n8j h PRO 99 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1n8j h PRO 99 CO 0.75 0.25 0.00 1.79 -0.23 0.00 0.00 178.00 180.55 1n8j h THR 100 N 0.00 0.00 0.00 1.56 1.35 -1.91 -3.47 112.91 110.44 1n8j h THR 100 Ca -0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1n8j h THR 100 Cb 0.51 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1n8j h THR 100 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1n8j n GLY 101 N 1.16 2.00 0.22 5.82 0.00 -0.89 -4.93 105.19 108.58 1n8j n GLY 101 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1n8j n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n8j h ALA 102 N 0.00 0.02 -0.27 4.61 0.00 -1.91 0.14 119.26 121.85 1n8j h ALA 102 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1n8j h ALA 102 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1n8j h ALA 102 CO 0.00 -0.58 0.17 1.25 0.00 0.00 0.00 179.25 180.10 1n8j h LEU 103 N -0.15 0.32 -1.26 0.00 7.12 -1.91 0.36 115.31 119.79 1n8j h LEU 103 Ca 0.15 -0.03 0.03 0.00 0.13 0.00 0.00 57.88 58.16 1n8j h LEU 103 Cb 0.37 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.38 1n8j h LEU 103 CO -0.37 0.25 0.52 0.74 -0.13 0.00 0.00 178.44 179.45 1n8j h THR 104 N 0.36 1.13 0.01 1.05 2.02 -1.81 -2.04 112.91 113.62 1n8j h THR 104 Ca 0.10 -0.33 -0.19 0.00 0.77 0.00 0.00 66.41 66.75 1n8j h THR 104 Cb -0.02 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 1n8j h THR 104 CO -0.02 0.18 -0.89 0.03 0.37 0.00 0.00 175.52 175.19 1n8j h ARG 105 N 0.97 0.09 -0.24 6.66 3.08 0.08 0.79 114.38 125.81 1n8j h ARG 105 Ca 0.31 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1n8j h ARG 105 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1n8j h ARG 105 CO -0.09 0.92 0.16 -0.91 -1.07 0.00 0.00 179.97 178.98 1n8j h ASN 106 N 0.05 0.17 -0.51 7.04 2.35 0.41 -0.05 115.58 125.03 1n8j h ASN 106 Ca -0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1n8j h ASN 106 Cb 1.54 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.87 1n8j h ASN 106 CO 0.13 0.12 0.00 0.49 -1.65 0.00 0.00 177.43 176.51 1n8j n PHE 107 N -4.50 1.67 -4.22 1.19 3.72 -1.06 -4.82 117.46 109.44 1n8j n PHE 107 Ca 0.01 -0.60 -0.32 0.00 -0.05 0.00 0.00 57.45 56.50 1n8j n PHE 107 Cb 0.17 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.65 -0.46 -0.11 4.37 2.03 -0.03 -4.85 116.55 118.14 1n8j n ASP 108 Ca 0.24 -1.15 0.08 0.00 0.52 0.00 0.00 54.79 54.48 1n8j n ASP 108 Cb 1.00 -2.22 0.12 0.00 -0.72 0.00 0.00 41.12 39.29 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.83 2.07 -4.80 1.67 4.05 0.26 -5.02 115.26 110.67 1n8j n ASN 109 Ca -0.20 -2.90 -0.39 0.00 0.45 0.00 0.00 54.58 51.55 1n8j n ASN 109 Cb 0.63 -0.38 -0.06 0.00 1.23 0.00 0.00 39.78 41.20 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 -2.45 4.24 -0.79 1.20 1.75 -1.25 -1.78 119.30 120.23 1n8j s MET 110 Ca 0.27 0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 55.30 1n8j s MET 110 Cb 0.23 -3.27 0.20 0.00 2.84 0.00 0.00 34.83 34.83 1n8j s MET 110 CO 0.02 0.57 0.76 1.03 -0.65 0.00 0.00 175.02 176.75 1n8j s ARG 111 N -0.87 3.51 0.24 4.11 0.52 -0.35 -4.90 118.95 121.21 1n8j s ARG 111 Ca 0.30 -2.27 -0.05 0.00 -0.52 0.00 0.00 55.73 53.19 1n8j s ARG 111 Cb -0.19 -4.45 0.46 0.00 0.52 0.00 0.00 34.95 31.29 1n8j s ARG 111 CO 0.19 -1.34 1.69 0.93 0.02 0.00 0.00 175.30 176.78 1n8j h GLU 112 N 8.06 0.26 0.00 3.54 4.39 -1.95 0.91 114.58 129.79 1n8j h GLU 112 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1n8j h GLU 112 Cb 1.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1n8j h GLU 112 CO 0.83 0.17 0.00 -0.40 -1.16 0.00 0.00 179.01 178.45 1n8j n ASP 113 N -5.16 0.00 -0.00 1.42 5.75 -1.26 -3.19 116.55 114.11 1n8j n ASP 113 Ca 0.14 0.45 0.01 0.00 -0.01 0.00 0.00 54.79 55.39 1n8j n ASP 113 Cb 0.46 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.05 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 -1.47 0.26 -1.06 0.11 1.02 -0.37 -5.00 120.64 114.13 1n8j n GLU 114 Ca 0.04 -0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1n8j n GLU 114 Cb 0.15 -1.07 -0.01 0.00 -0.02 0.00 0.00 31.44 30.50 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 2.36 0.54 3.45 0.62 0.00 0.17 -5.02 105.19 107.32 1n8j n GLY 115 Ca -0.01 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.45 2.55 0.52 0.99 1.43 -1.23 -4.78 118.68 117.71 1n8j s LEU 116 Ca 0.00 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.14 1n8j s LEU 116 Cb 0.00 -1.27 -0.07 0.00 0.03 0.00 0.00 46.19 44.89 1n8j s LEU 116 CO 0.00 0.11 0.96 0.00 0.23 0.00 0.00 176.35 177.66 1n8j s ALA 117 N -1.71 3.12 0.77 4.21 0.00 -1.26 -1.22 121.76 125.68 1n8j s ALA 117 Ca 0.22 0.05 -0.10 0.00 0.00 0.00 0.00 51.96 52.14 1n8j s ALA 117 Cb -0.08 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.08 1n8j s ALA 117 CO 0.11 -0.31 1.11 -0.51 0.00 0.00 0.00 175.76 176.16 1n8j s ASP 118 N -3.36 4.53 -1.02 0.00 1.11 -0.73 -2.83 116.67 114.36 1n8j s ASP 118 Ca 0.57 0.57 -0.23 0.00 0.18 0.00 0.00 52.55 53.64 1n8j s ASP 118 Cb -0.10 -1.10 0.05 0.00 1.07 0.00 0.00 42.92 42.84 1n8j s ASP 118 CO 0.37 -1.84 1.45 -0.13 1.18 0.00 0.00 175.17 176.21 1n8j s ARG 119 N -5.45 3.58 0.03 8.23 0.52 -1.26 -3.88 118.95 120.72 1n8j s ARG 119 Ca 0.62 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1n8j s ARG 119 Cb -0.10 -5.35 -0.02 0.00 0.52 0.00 0.00 34.95 30.00 1n8j s ARG 119 CO 0.47 -2.22 -0.10 0.00 0.02 0.00 0.00 175.30 173.47 1n8j s ALA 120 N 5.03 0.82 -0.06 2.13 0.00 -1.14 -1.31 121.76 127.23 1n8j s ALA 120 Ca 0.46 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1n8j s ALA 120 Cb -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1n8j s ALA 120 CO -0.10 0.13 -0.17 0.99 0.00 0.00 0.00 175.76 176.62 1n8j s THR 121 N -0.76 1.43 -0.09 0.00 2.01 0.11 -0.65 115.64 117.69 1n8j s THR 121 Ca -0.01 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1n8j s THR 121 Cb -0.07 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.19 1n8j s THR 121 CO 0.01 0.42 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.79 1n8j s PHE 122 N 0.33 2.24 -0.32 4.92 0.40 0.13 -1.37 117.98 124.30 1n8j s PHE 122 Ca -0.11 -0.93 -0.12 0.00 -0.60 0.00 0.00 56.93 55.18 1n8j s PHE 122 Cb -0.14 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1n8j s PHE 122 CO 0.04 -0.40 0.21 0.08 0.70 0.00 0.00 175.22 175.85 1n8j s VAL 123 N 0.50 5.14 -0.12 -0.44 1.01 -0.34 -0.42 120.40 125.72 1n8j s VAL 123 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1n8j s VAL 123 Cb -0.17 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1n8j s VAL 123 CO 0.06 0.05 -0.13 -0.69 0.00 0.00 0.00 175.10 174.39 1n8j s VAL 124 N 1.70 3.08 0.86 2.92 1.01 0.83 0.17 120.40 130.97 1n8j s VAL 124 Ca 0.06 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1n8j s VAL 124 Cb -0.17 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.05 1n8j s VAL 124 CO 0.10 0.53 1.22 1.51 0.00 0.00 0.00 175.10 178.46 1n8j s ASP 125 N 0.24 3.96 0.62 3.32 1.47 0.06 -0.32 116.67 126.03 1n8j s ASP 125 Ca -0.09 0.53 0.29 0.00 1.18 0.00 0.00 52.55 54.46 1n8j s ASP 125 Cb -0.15 -0.85 1.52 0.00 -0.34 0.00 0.00 42.92 43.09 1n8j s ASP 125 CO 0.05 -2.22 1.90 -0.65 0.68 0.00 0.00 175.17 174.93 1n8j h PRO 126 N -1.26 0.00 -0.22 2.11 0.11 -1.83 0.17 132.00 131.09 1n8j h PRO 126 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1n8j h PRO 126 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1n8j h PRO 126 CO 0.54 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.37 1n8j n GLN 127 N -3.34 2.00 -0.67 1.05 3.00 -1.26 -2.13 117.38 116.02 1n8j n GLN 127 Ca 0.04 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 1n8j n GLN 127 Cb 0.54 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.34 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 1.26 0.69 3.75 1.08 0.00 0.59 -4.95 105.19 107.61 1n8j n GLY 128 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.23 4.92 -0.16 -0.61 -1.09 -1.26 -1.15 121.20 119.62 1n8j s ILE 129 Ca 0.00 1.34 -0.29 0.00 -2.23 0.00 0.00 60.65 59.46 1n8j s ILE 129 Cb 0.00 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1n8j s ILE 129 CO 0.00 0.37 1.20 -0.63 -1.23 0.00 0.00 174.94 174.65 1n8j s ILE 130 N 0.08 4.37 -0.08 2.92 1.01 -0.46 -0.76 121.20 128.28 1n8j s ILE 130 Ca 0.33 1.67 0.16 0.00 0.00 0.00 0.00 60.65 62.81 1n8j s ILE 130 Cb -0.18 -4.07 -0.23 0.00 0.01 0.00 0.00 42.46 37.98 1n8j s ILE 130 CO 0.18 -0.12 0.23 0.00 0.00 0.00 0.00 174.94 175.23 1n8j n GLN 131 N 6.28 0.91 -3.76 2.79 1.13 0.13 -0.96 117.38 123.90 1n8j n GLN 131 Ca 0.13 -0.09 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 1n8j n GLN 131 Cb 0.45 -1.40 -0.10 0.00 0.11 0.00 0.00 30.24 29.30 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 -2.83 -0.84 -0.02 -1.58 0.00 -1.21 -4.89 121.76 110.39 1n8j s ALA 132 Ca -0.07 0.82 0.03 0.00 0.00 0.00 0.00 51.96 52.74 1n8j s ALA 132 Cb 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 1n8j s ALA 132 CO 0.68 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 176.56 1n8j s ILE 133 N -0.18 0.91 -0.04 0.00 1.01 -1.26 -1.20 121.20 120.44 1n8j s ILE 133 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1n8j s ILE 133 Cb -0.03 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.68 1n8j s ILE 133 CO 0.01 0.27 -0.04 -0.70 0.00 0.00 0.00 174.94 174.48 1n8j s GLU 134 N -0.05 0.80 -0.02 2.79 2.12 -0.47 -4.98 118.70 118.88 1n8j s GLU 134 Ca 0.00 -0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.24 1n8j s GLU 134 Cb -0.07 -0.83 0.03 0.00 0.26 0.00 0.00 34.13 33.52 1n8j s GLU 134 CO 0.00 -0.09 0.03 0.08 -0.54 0.00 0.00 175.26 174.74 1n8j s VAL 135 N 0.96 -0.01 0.17 3.70 1.01 -1.26 0.07 120.40 125.04 1n8j s VAL 135 Ca -0.10 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1n8j s VAL 135 Cb -0.14 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1n8j s VAL 135 CO -0.00 0.11 -0.13 0.42 0.00 0.00 0.00 175.10 175.50 1n8j s THR 136 N 1.21 1.50 0.94 3.92 -4.23 -0.43 -5.02 115.64 113.53 1n8j s THR 136 Ca -0.07 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 1n8j s THR 136 Cb -0.13 -1.91 0.16 0.00 1.34 0.00 0.00 72.50 71.96 1n8j s THR 136 CO -0.03 -0.62 1.10 0.00 -0.54 0.00 0.00 174.62 174.53 1n8j s ALA 137 N -2.97 1.17 0.27 3.99 0.00 -1.26 -4.03 121.76 118.93 1n8j s ALA 137 Ca 0.19 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 1n8j s ALA 137 Cb -0.00 -3.32 0.63 0.00 0.00 0.00 0.00 23.12 20.43 1n8j s ALA 137 CO 0.04 -2.76 1.65 1.49 0.00 0.00 0.00 175.76 176.19 1n8j h GLU 138 N -1.85 0.21 -1.01 0.00 4.57 -2.01 -2.09 114.58 112.39 1n8j h GLU 138 Ca -0.49 -0.01 -0.52 0.00 -1.18 0.00 0.00 59.36 57.16 1n8j h GLU 138 Cb 1.28 -0.05 -0.29 0.00 -0.16 0.00 0.00 28.75 29.53 1n8j h GLU 138 CO 0.48 0.14 0.66 0.41 -1.18 0.00 0.00 179.01 179.52 1n8j n GLY 139 N -1.38 4.58 2.84 1.92 0.00 -1.26 -4.81 105.19 107.07 1n8j n GLY 139 Ca 0.19 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.36 1.18 0.43 -0.61 1.01 -0.79 -5.12 121.20 113.95 1n8j s ILE 140 Ca 0.55 -1.22 -0.23 0.00 0.00 0.00 0.00 60.65 59.75 1n8j s ILE 140 Cb 0.46 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 41.18 1n8j s ILE 140 CO 0.09 -0.34 1.07 -0.83 0.00 0.00 0.00 174.94 174.93 1n8j s GLY 141 N 1.52 2.69 0.59 6.18 0.00 -1.26 -4.58 107.32 112.46 1n8j s GLY 141 Ca 0.01 0.73 -0.06 0.00 0.00 0.00 0.00 44.72 45.40 1n8j s GLY 141 CO -0.12 1.13 0.90 0.50 0.00 0.00 0.00 173.10 175.51 1n8j s ARG 142 N -2.72 2.88 -0.27 2.90 0.52 -1.26 -5.08 118.95 115.91 1n8j s ARG 142 Ca 0.61 -0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.81 1n8j s ARG 142 Cb -0.22 -2.27 0.06 0.00 0.52 0.00 0.00 34.95 33.03 1n8j s ARG 142 CO 0.27 -0.72 -0.09 0.34 0.02 0.00 0.00 175.30 175.12 1n8j s ASP 143 N -4.32 4.52 0.49 0.23 -1.08 -1.26 -4.91 116.67 110.35 1n8j s ASP 143 Ca 0.54 -1.36 0.22 0.00 -0.52 0.00 0.00 52.55 51.44 1n8j s ASP 143 Cb -0.11 -1.58 1.28 0.00 -1.46 0.00 0.00 42.92 41.06 1n8j s ASP 143 CO 0.45 -0.20 1.96 0.00 0.52 0.00 0.00 175.17 177.90 1n8j h ALA 144 N 7.82 2.39 -0.21 3.66 0.00 -1.93 -1.64 119.26 129.36 1n8j h ALA 144 Ca -0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n8j h ALA 144 Cb 1.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1n8j h ALA 144 CO 0.48 -0.57 0.06 0.66 0.00 0.00 0.00 179.25 179.87 1n8j h SER 145 N 0.14 0.05 -0.13 0.00 4.64 -1.95 -1.01 113.55 115.30 1n8j h SER 145 Ca 0.31 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1n8j h SER 145 Cb 1.01 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1n8j h SER 145 CO -0.04 0.06 -0.05 -0.78 -0.87 0.00 0.00 176.83 175.15 1n8j h ASP 146 N 0.15 0.37 -0.57 4.97 3.58 -1.74 -2.03 116.42 121.15 1n8j h ASP 146 Ca 0.09 -0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.48 1n8j h ASP 146 Cb 0.07 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1n8j h ASP 146 CO -0.10 0.47 0.38 0.25 -2.88 0.00 0.00 179.24 177.35 1n8j h LEU 147 N 0.38 0.65 -0.38 2.28 5.85 -1.06 -2.36 115.31 120.66 1n8j h LEU 147 Ca 0.08 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1n8j h LEU 147 Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1n8j h LEU 147 CO 0.01 0.47 0.14 -0.07 -0.34 0.00 0.00 178.44 178.66 1n8j h LEU 148 N 0.77 0.54 -0.86 2.25 3.38 -0.54 -0.41 115.31 120.44 1n8j h LEU 148 Ca 0.21 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1n8j h LEU 148 Cb -0.09 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 1n8j h LEU 148 CO -0.04 0.57 0.52 -0.09 0.09 0.00 0.00 178.44 179.48 1n8j h ARG 149 N 0.47 0.88 -0.32 1.13 2.43 -1.17 -0.56 114.38 117.25 1n8j h ARG 149 Ca 0.13 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1n8j h ARG 149 Cb 0.21 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1n8j h ARG 149 CO -0.01 0.58 -0.41 0.87 -1.51 0.00 0.00 179.97 179.49 1n8j h LYS 150 N 0.90 0.78 -0.65 0.20 1.57 -1.15 -1.96 116.57 116.26 1n8j h LYS 150 Ca 0.39 -0.42 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1n8j h LYS 150 Cb 0.27 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1n8j h LYS 150 CO -0.21 1.04 0.37 0.82 -0.57 0.00 0.00 179.45 180.91 1n8j h ILE 151 N 0.63 1.20 -0.39 1.86 2.04 -0.31 -0.70 117.51 121.84 1n8j h ILE 151 Ca 0.05 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1n8j h ILE 151 Cb 0.97 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1n8j h ILE 151 CO 0.09 0.21 0.13 0.11 0.00 0.00 0.00 178.15 178.69 1n8j h LYS 152 N 0.88 0.59 -0.82 2.37 1.57 -1.01 -0.94 116.57 119.22 1n8j h LYS 152 Ca 0.23 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1n8j h LYS 152 Cb 0.01 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 1n8j h LYS 152 CO -0.04 0.59 0.54 0.00 -0.57 0.00 0.00 179.45 179.97 1n8j h ALA 153 N 0.98 1.04 -0.64 3.86 0.00 -1.06 0.94 119.26 124.37 1n8j h ALA 153 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1n8j h ALA 153 Cb 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1n8j h ALA 153 CO -0.01 0.44 0.25 0.00 0.00 0.00 0.00 179.25 179.93 1n8j h ALA 154 N 1.30 0.84 0.00 0.00 0.00 -0.85 -2.06 119.26 118.49 1n8j h ALA 154 Ca 0.30 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1n8j h ALA 154 Cb -0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1n8j h ALA 154 CO -0.07 0.47 -0.37 1.96 0.00 0.00 0.00 179.25 181.23 1n8j h GLN 155 N 0.91 0.00 0.04 0.00 4.20 -0.44 -2.39 115.11 117.43 1n8j h GLN 155 Ca 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1n8j h GLN 155 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1n8j h GLN 155 CO -0.02 0.37 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.58 1n8j h TYR 156 N 0.00 -0.05 -0.20 2.96 3.20 -0.29 -2.68 116.97 119.91 1n8j h TYR 156 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1n8j h TYR 156 Cb 0.76 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1n8j h TYR 156 CO 0.00 0.47 -0.00 -0.39 -1.64 0.00 0.00 178.16 176.59 1n8j h VAL 157 N -0.60 1.13 -0.40 1.81 -1.51 -1.37 -0.58 116.25 114.74 1n8j h VAL 157 Ca -0.01 -0.51 -0.10 0.00 -1.23 0.00 0.00 66.70 64.85 1n8j h VAL 157 Cb 0.54 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1n8j h VAL 157 CO 0.01 0.17 -0.15 0.00 -1.23 0.00 0.00 177.57 176.37 1n8j h ALA 158 N 1.72 0.99 -0.18 5.19 0.00 -1.41 -2.88 119.26 122.69 1n8j h ALA 158 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1n8j h ALA 158 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1n8j h ALA 158 CO 0.00 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1n8j n ALA 159 N -2.49 2.49 -3.18 0.00 0.00 -0.88 -4.44 120.51 112.01 1n8j n ALA 159 Ca 0.01 -0.69 -0.21 0.00 0.00 0.00 0.00 53.44 52.55 1n8j n ALA 159 Cb 0.38 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 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 0.88 -0.19 -1.60 0.00 -0.00 -0.28 -5.07 115.22 108.97 1n8j n HIS 160 Ca 0.17 -3.64 -0.40 0.00 -0.00 0.00 0.00 57.72 53.86 1n8j n HIS 160 Cb 0.48 -0.33 0.03 0.00 -0.00 0.00 0.00 29.99 30.17 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 0.87 1.09 0.00 -0.41 -0.02 -1.21 -1.62 135.00 133.71 1n8j n PRO 161 Ca 0.23 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1n8j n PRO 161 Cb 0.59 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 1.28 3.19 3.74 -1.23 0.00 -1.26 -5.01 105.19 105.91 1n8j n GLY 162 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1n8j n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1n8j s GLU 163 N -0.47 2.74 0.05 1.61 2.02 -0.64 -3.33 118.70 120.68 1n8j s GLU 163 Ca 0.00 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.24 1n8j s GLU 163 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 1n8j s GLU 163 CO 0.00 0.54 -0.10 0.14 0.02 0.00 0.00 175.26 175.87 1n8j s VAL 164 N -1.42 0.71 -0.29 2.63 -7.23 0.15 -4.75 120.40 110.21 1n8j s VAL 164 Ca 0.28 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 59.11 1n8j s VAL 164 Cb -0.12 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1n8j s VAL 164 CO 0.21 -0.35 0.49 0.00 -0.31 0.00 0.00 175.10 175.14 1n8j s PRO 166 N 2.30 -0.93 0.21 0.00 0.02 -1.26 -4.85 135.00 130.49 1n8j s PRO 166 Ca 0.19 0.12 -0.32 0.00 0.02 0.00 0.00 61.00 61.02 1n8j s PRO 166 Cb -0.16 -1.61 -0.13 0.00 0.02 0.00 0.00 34.50 32.62 1n8j s PRO 166 CO 0.11 -3.55 1.49 0.00 -0.33 0.00 0.00 177.00 174.72 1n8j n ALA 167 N -4.68 1.35 -0.86 -1.55 0.00 -1.26 -1.66 120.51 111.84 1n8j n ALA 167 Ca 0.10 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1n8j n ALA 167 Cb 0.59 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 2.62 -0.01 -1.46 0.00 5.02 -1.26 -4.98 118.16 118.09 1n8j n LYS 168 Ca 0.14 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.04 1n8j n LYS 168 Cb 0.31 -3.05 0.03 0.00 -0.02 0.00 0.00 35.03 32.30 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 -2.01 -0.76 -3.61 2.13 -0.00 -0.67 -5.02 117.44 107.50 1n8j n TRP 169 Ca 0.00 0.46 -0.14 0.00 -0.00 0.00 0.00 57.50 57.82 1n8j n TRP 169 Cb 0.00 -1.95 -0.06 0.00 -0.00 0.00 0.00 31.31 29.30 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 -1.96 0.97 -0.17 5.87 1.02 -1.26 -4.96 119.74 119.24 1n8j s LYS 170 Ca 0.67 -0.19 -0.35 0.00 0.02 0.00 0.00 55.97 56.13 1n8j s LYS 170 Cb -0.47 0.44 -0.16 0.00 -0.52 0.00 0.00 37.83 37.12 1n8j s LYS 170 CO 0.55 -0.33 1.04 0.39 -0.92 0.00 0.00 175.35 176.09 1n8j n GLU 171 N 0.61 0.00 -1.76 1.68 -0.58 -1.26 -1.77 120.64 117.57 1n8j n GLU 171 Ca -0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 1n8j n GLU 171 Cb 0.59 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 1n8j n GLU 171 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1n8j n GLY 172 N 2.07 0.39 3.37 0.62 0.00 -1.26 -5.07 105.19 105.31 1n8j n GLY 172 Ca 0.20 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.52 1.40 -0.00 1.61 2.02 -0.73 -5.09 118.70 114.39 1n8j s GLU 173 Ca 0.00 -1.63 -0.34 0.00 0.02 0.00 0.00 54.97 53.02 1n8j s GLU 173 Cb 0.00 -1.23 -0.12 0.00 0.10 0.00 0.00 34.13 32.88 1n8j s GLU 173 CO 0.00 0.20 1.81 0.00 0.02 0.00 0.00 175.26 177.29 1n8j n ALA 174 N -0.43 1.15 -3.23 5.21 0.00 -1.26 -4.90 120.51 117.05 1n8j n ALA 174 Ca -0.07 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 1n8j n ALA 174 Cb 0.60 -2.48 0.02 0.00 0.00 0.00 0.00 19.45 17.59 1n8j n ALA 174 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n8j n THR 175 N 4.72 0.00 -4.53 0.00 -2.24 -1.26 -4.65 114.28 106.33 1n8j n THR 175 Ca 0.21 -0.87 -0.27 0.00 -2.27 0.00 0.00 64.05 60.84 1n8j n THR 175 Cb 0.31 -0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 67.77 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 2.25 -0.53 3.22 1.43 0.14 -4.95 118.68 120.25 1n8j s LEU 176 Ca 0.22 -0.66 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1n8j s LEU 176 Cb -0.02 -1.12 0.13 0.00 0.03 0.00 0.00 46.19 45.22 1n8j s LEU 176 CO 0.14 0.17 0.27 0.00 0.23 0.00 0.00 176.35 177.16 1n8j s ALA 177 N -0.98 3.30 0.18 4.21 0.00 -1.26 -0.67 121.76 126.53 1n8j s ALA 177 Ca 0.11 -3.29 -0.33 0.00 0.00 0.00 0.00 51.96 48.45 1n8j s ALA 177 Cb -0.10 -2.15 -0.15 0.00 0.00 0.00 0.00 23.12 20.72 1n8j s ALA 177 CO 0.04 -2.03 1.28 -2.30 0.00 0.00 0.00 175.76 172.76 1n8j n PRO 178 N 3.05 1.47 -3.80 0.00 -0.02 -1.21 -4.93 135.00 129.56 1n8j n PRO 178 Ca 0.06 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 1n8j n PRO 178 Cb 0.32 -2.11 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1n8j n PRO 178 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n8j s SER 179 N 0.20 -0.29 0.43 2.55 1.04 -1.26 -5.01 113.70 111.36 1n8j s SER 179 Ca 0.74 -0.54 0.20 0.00 0.48 0.00 0.00 55.95 56.83 1n8j s SER 179 Cb -0.80 0.69 0.96 0.00 0.10 0.00 0.00 66.02 66.97 1n8j s SER 179 CO 0.50 -1.26 1.88 0.25 0.98 0.00 0.00 173.24 175.59 1n8j h LEU 180 N 2.04 0.00 -0.53 2.42 6.46 -2.00 -3.05 115.31 120.65 1n8j h LEU 180 Ca -0.22 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.40 1n8j h LEU 180 Cb 1.26 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1n8j h LEU 180 CO 0.27 0.28 -0.27 -0.78 -0.62 0.00 0.00 178.44 177.32 1n8j h ASP 181 N 0.00 0.94 0.90 1.25 -0.00 -1.97 -3.14 116.42 114.40 1n8j h ASP 181 Ca -0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 1n8j h ASP 181 Cb 0.62 -0.26 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 1n8j h ASP 181 CO 0.04 1.14 0.00 -0.07 -0.00 0.00 0.00 179.24 180.35 1n8j h LEU 182 N 0.77 0.00 -8.52 2.28 3.38 -1.89 -3.44 115.31 107.88 1n8j h LEU 182 Ca 0.09 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.39 1n8j h LEU 182 Cb 0.83 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1n8j h LEU 182 CO 0.07 0.00 1.41 0.52 0.09 0.00 0.00 178.44 180.54 1n8j n VAL 183 N -2.55 0.18 -1.02 1.22 0.31 -1.19 -0.34 118.33 114.95 1n8j n VAL 183 Ca 0.02 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.09 1n8j n VAL 183 Cb 0.27 -1.60 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 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 6.58 0.44 0.02 2.92 0.00 -1.26 -4.92 105.19 108.96 1n8j n GLY 184 Ca 0.42 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.97 0.94 0.00 1.61 5.02 0.54 -5.25 118.16 118.05 1n8j n LYS 185 Ca -0.01 -0.06 0.16 0.00 -2.02 0.00 0.00 58.31 56.37 1n8j n LYS 185 Cb 0.02 -1.23 0.85 0.00 -0.02 0.00 0.00 35.03 34.64 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99