#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8j n LEU 2 N 0.00 0.97 -4.65 2.46 4.77 -1.26 -4.91 117.00 114.38 1n8j n LEU 2 Ca 0.00 -0.24 -0.46 0.00 -0.03 0.00 0.00 56.01 55.28 1n8j n LEU 2 Cb 0.00 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1n8j n LEU 2 CO 0.00 0.18 0.93 0.00 -1.33 0.00 0.00 177.39 177.17 1n8j n ILE 3 N -0.58 0.93 -1.26 -0.08 0.13 -1.26 -1.35 119.36 115.89 1n8j n ILE 3 Ca 0.14 -0.23 -0.09 0.00 -1.10 0.00 0.00 62.75 61.47 1n8j n ILE 3 Cb 0.33 -1.31 -0.04 0.00 -0.84 0.00 0.00 39.64 37.78 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 2.12 -4.49 -4.67 9.51 4.05 -0.23 -4.98 115.26 116.57 1n8j n ASN 4 Ca 0.12 0.23 -0.24 0.00 0.45 0.00 0.00 54.58 55.15 1n8j n ASN 4 Cb 0.30 -2.79 -0.07 0.00 1.23 0.00 0.00 39.78 38.45 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 -2.21 3.61 0.10 -0.44 -4.23 -0.45 -4.84 115.64 107.18 1n8j s THR 5 Ca 0.00 -1.76 -0.21 0.00 -1.18 0.00 0.00 61.69 58.54 1n8j s THR 5 Cb 0.00 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.86 1n8j s THR 5 CO 0.00 -0.32 0.63 -0.75 -0.54 0.00 0.00 174.62 173.64 1n8j s LYS 6 N -3.55 4.31 0.65 3.99 2.20 -1.26 -1.59 119.74 124.49 1n8j s LYS 6 Ca 0.31 0.87 -0.16 0.00 -0.36 0.00 0.00 55.97 56.62 1n8j s LYS 6 Cb -0.07 -3.25 -0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1n8j s LYS 6 CO 0.20 0.62 1.16 0.96 -0.36 0.00 0.00 175.35 177.93 1n8j s ILE 7 N -1.12 2.82 0.31 5.43 -4.36 -0.31 -4.98 121.20 118.99 1n8j s ILE 7 Ca 0.31 0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 61.09 1n8j s ILE 7 Cb -0.21 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.43 1n8j s ILE 7 CO 0.21 -0.19 0.57 -0.54 0.24 0.00 0.00 174.94 175.23 1n8j s LYS 8 N -3.76 3.61 0.52 0.37 1.02 -1.26 -5.05 119.74 115.19 1n8j s LYS 8 Ca 0.72 -0.02 -0.22 0.00 0.02 0.00 0.00 55.97 56.47 1n8j s LYS 8 Cb -0.26 -2.63 -0.06 0.00 -0.52 0.00 0.00 37.83 34.36 1n8j s LYS 8 CO 0.39 0.18 1.25 -2.30 -0.92 0.00 0.00 175.35 173.94 1n8j n PRO 9 N -1.12 1.60 -3.80 -1.68 -0.02 -1.26 -4.84 135.00 123.88 1n8j n PRO 9 Ca -0.02 0.58 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1n8j n PRO 9 Cb 0.54 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 1n8j n PRO 9 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1n8j s PHE 10 N -1.30 -0.00 -0.26 6.00 -0.12 -1.26 -4.96 117.98 116.07 1n8j s PHE 10 Ca 0.69 -0.35 -0.01 0.00 -0.05 0.00 0.00 56.93 57.21 1n8j s PHE 10 Cb -0.45 0.32 0.15 0.00 -0.63 0.00 0.00 43.02 42.41 1n8j s PHE 10 CO 0.51 -0.90 0.41 0.21 -0.05 0.00 0.00 175.22 175.40 1n8j s LYS 11 N -3.90 0.39 0.07 1.99 2.20 -1.26 -3.09 119.74 116.15 1n8j s LYS 11 Ca 0.11 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.22 1n8j s LYS 11 Cb -0.00 -0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.95 1n8j s LYS 11 CO -0.01 -0.75 -0.09 -0.80 -0.36 0.00 0.00 175.35 173.34 1n8j s ASN 12 N 2.58 1.18 0.10 1.43 -0.87 -0.29 -4.98 114.94 114.09 1n8j s ASN 12 Ca 0.13 -0.73 -0.18 0.00 -1.57 0.00 0.00 52.86 50.51 1n8j s ASN 12 Cb -0.15 0.03 -0.07 0.00 -0.02 0.00 0.00 41.25 41.05 1n8j s ASN 12 CO -0.20 -0.26 0.57 -1.10 -2.57 0.00 0.00 177.10 173.54 1n8j s GLN 13 N -2.43 4.14 0.18 -0.60 -1.52 -1.26 -0.42 119.66 117.75 1n8j s GLN 13 Ca 0.00 0.67 0.01 0.00 -1.95 0.00 0.00 55.36 54.09 1n8j s GLN 13 Cb -0.05 -3.12 -0.05 0.00 -0.22 0.00 0.00 33.01 29.58 1n8j s GLN 13 CO -0.01 0.58 0.05 0.00 -0.25 0.00 0.00 175.29 175.66 1n8j s ALA 14 N -1.24 1.30 -0.11 6.09 0.00 0.18 -1.64 121.76 126.34 1n8j s ALA 14 Ca 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1n8j s ALA 14 Cb -0.18 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1n8j s ALA 14 CO 0.19 -0.41 -0.12 0.12 0.00 0.00 0.00 175.76 175.54 1n8j s PHE 15 N -3.81 2.82 -0.20 0.00 5.36 0.27 -1.05 117.98 121.37 1n8j s PHE 15 Ca 0.28 -0.44 -0.08 0.00 -0.96 0.00 0.00 56.93 55.74 1n8j s PHE 15 Cb 0.07 -1.80 0.09 0.00 -0.34 0.00 0.00 43.02 41.04 1n8j s PHE 15 CO 0.06 -0.06 0.43 0.21 -1.46 0.00 0.00 175.22 174.40 1n8j s LYS 16 N 0.01 0.35 -1.27 10.12 2.20 0.45 -0.18 119.74 131.43 1n8j s LYS 16 Ca -0.03 1.00 -0.26 0.00 -0.36 0.00 0.00 55.97 56.32 1n8j s LYS 16 Cb -0.14 0.27 0.04 0.00 -1.51 0.00 0.00 37.83 36.49 1n8j s LYS 16 CO 0.04 -0.23 0.49 0.09 -0.36 0.00 0.00 175.35 175.38 1n8j n ASN 17 N 5.15 -2.68 0.00 1.43 3.02 -1.26 -0.90 115.26 120.03 1n8j n ASN 17 Ca -0.12 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1n8j n ASN 17 Cb 0.51 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.14 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 -2.20 2.26 3.27 7.41 0.00 -1.26 -5.03 105.19 109.64 1n8j n GLY 18 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1n8j n GLY 18 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1n8j s GLU 19 N -0.34 1.11 -0.07 1.61 -1.05 -0.07 -5.13 118.70 114.75 1n8j s GLU 19 Ca 0.00 -1.48 -0.16 0.00 -0.15 0.00 0.00 54.97 53.18 1n8j s GLU 19 Cb 0.00 -0.71 -0.05 0.00 -0.44 0.00 0.00 34.13 32.93 1n8j s GLU 19 CO 0.00 0.09 0.43 -0.06 0.95 0.00 0.00 175.26 176.67 1n8j s PHE 20 N -3.27 3.60 0.13 4.83 0.08 -1.26 -0.41 117.98 121.69 1n8j s PHE 20 Ca 0.18 0.90 -0.01 0.00 0.12 0.00 0.00 56.93 58.12 1n8j s PHE 20 Cb 0.02 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1n8j s PHE 20 CO 0.02 0.38 0.05 0.96 -0.10 0.00 0.00 175.22 176.53 1n8j s ILE 21 N -0.11 0.15 -0.13 0.64 -4.36 -0.22 -4.97 121.20 112.21 1n8j s ILE 21 Ca 0.24 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.67 1n8j s ILE 21 Cb -0.16 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1n8j s ILE 21 CO 0.11 -0.46 0.04 -0.70 0.24 0.00 0.00 174.94 174.16 1n8j s GLU 22 N -4.04 3.42 -0.03 0.37 2.12 -1.26 0.52 118.70 119.80 1n8j s GLU 22 Ca 0.24 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.29 1n8j s GLU 22 Cb 0.07 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.46 1n8j s GLU 22 CO 0.02 0.55 -0.24 0.08 -0.54 0.00 0.00 175.26 175.13 1n8j s VAL 23 N -0.42 1.90 0.32 3.70 1.01 0.44 -4.95 120.40 122.41 1n8j s VAL 23 Ca 0.09 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1n8j s VAL 23 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1n8j s VAL 23 CO 0.02 0.54 0.19 0.42 0.00 0.00 0.00 175.10 176.27 1n8j s THR 24 N -0.46 0.23 -0.81 3.92 -4.23 -1.26 -1.13 115.64 111.89 1n8j s THR 24 Ca 0.06 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.74 1n8j s THR 24 Cb -0.10 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.41 1n8j s THR 24 CO 0.00 0.00 1.51 -1.84 -0.54 0.00 0.00 174.62 173.75 1n8j n GLU 25 N -0.62 0.06 -0.07 3.99 0.00 -1.18 -2.00 120.64 120.83 1n8j n GLU 25 Ca 0.02 0.34 -0.07 0.00 0.00 0.00 0.00 57.16 57.44 1n8j n GLU 25 Cb 0.64 -1.63 0.10 0.00 0.00 0.00 0.00 31.44 30.55 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 0.73 0.00 3.44 6.56 -1.95 -2.67 116.57 122.68 1n8j h LYS 26 Ca 0.00 -0.30 -0.01 0.00 -1.06 0.00 0.00 60.65 59.28 1n8j h LYS 26 Cb 0.26 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.89 1n8j h LYS 26 CO 0.00 0.91 -0.03 -0.44 -2.06 0.00 0.00 179.45 177.82 1n8j h ASP 27 N 0.64 0.00 0.89 0.86 3.32 -1.81 -2.48 116.42 117.84 1n8j h ASP 27 Ca 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1n8j h ASP 27 Cb 0.75 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1n8j h ASP 27 CO 0.06 0.03 -1.11 0.35 -1.72 0.00 0.00 179.24 176.85 1n8j n THR 28 N -3.28 0.57 -1.70 0.35 -2.24 -1.02 -4.82 114.28 102.15 1n8j n THR 28 Ca -0.02 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 1n8j n THR 28 Cb 0.18 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.64 2.65 -0.93 -0.78 1.02 -0.94 -1.42 120.64 117.60 1n8j n GLU 29 Ca -0.01 0.96 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1n8j n GLU 29 Cb 0.56 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.17 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 4.00 0.76 3.21 0.62 0.00 -0.65 -5.02 105.19 108.11 1n8j n GLY 30 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.07 0.94 0.26 1.61 0.52 -0.51 -4.84 118.95 116.87 1n8j s ARG 31 Ca 0.00 -1.21 -0.27 0.00 -0.52 0.00 0.00 55.73 53.73 1n8j s ARG 31 Cb 0.00 -0.72 -0.09 0.00 0.52 0.00 0.00 34.95 34.66 1n8j s ARG 31 CO 0.00 0.13 0.90 -1.58 0.02 0.00 0.00 175.30 174.76 1n8j s TRP 32 N -2.33 3.81 0.04 -0.53 0.52 -1.15 -3.17 118.94 116.13 1n8j s TRP 32 Ca 0.08 1.77 0.02 0.00 0.02 0.00 0.00 56.10 57.98 1n8j s TRP 32 Cb -0.04 -2.89 -0.02 0.00 -1.15 0.00 0.00 33.47 29.37 1n8j s TRP 32 CO 0.02 0.35 -0.07 -1.12 0.02 0.00 0.00 176.95 176.14 1n8j s SER 33 N -1.42 0.79 -0.14 2.95 0.01 0.13 -1.29 113.70 114.73 1n8j s SER 33 Ca 0.45 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1n8j s SER 33 Cb -0.21 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1n8j s SER 33 CO 0.26 -0.24 -0.12 -0.69 0.41 0.00 0.00 173.24 172.87 1n8j s VAL 34 N -1.56 1.42 -0.34 3.43 1.01 -0.16 0.18 120.40 124.37 1n8j s VAL 34 Ca -0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1n8j s VAL 34 Cb -0.09 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1n8j s VAL 34 CO -0.00 0.43 0.21 -0.36 0.00 0.00 0.00 175.10 175.38 1n8j s PHE 35 N 1.55 3.21 -0.44 5.22 0.40 0.47 -1.06 117.98 127.34 1n8j s PHE 35 Ca 0.05 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.86 1n8j s PHE 35 Cb -0.13 -2.44 0.11 0.00 0.51 0.00 0.00 43.02 41.08 1n8j s PHE 35 CO -0.10 -0.45 0.28 0.12 0.70 0.00 0.00 175.22 175.78 1n8j s PHE 36 N 1.66 3.49 0.17 0.36 5.36 0.20 -0.40 117.98 128.82 1n8j s PHE 36 Ca 0.05 -2.08 -0.14 0.00 -0.96 0.00 0.00 56.93 53.80 1n8j s PHE 36 Cb -0.18 -3.36 -0.07 0.00 -0.34 0.00 0.00 43.02 39.07 1n8j s PHE 36 CO 0.09 -0.98 0.56 -0.06 -1.46 0.00 0.00 175.22 173.37 1n8j s PHE 37 N 1.28 3.57 0.01 10.12 0.40 0.79 0.28 117.98 134.42 1n8j s PHE 37 Ca 0.07 1.05 -0.13 0.00 -0.60 0.00 0.00 56.93 57.32 1n8j s PHE 37 Cb -0.25 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 40.93 1n8j s PHE 37 CO -0.02 0.39 0.26 1.52 0.70 0.00 0.00 175.22 178.07 1n8j s TYR 38 N -1.54 -0.09 0.08 0.36 -0.85 -0.53 -3.04 117.35 111.74 1n8j s TYR 38 Ca 0.40 0.04 -0.34 0.00 -0.52 0.00 0.00 57.07 56.65 1n8j s TYR 38 Cb -0.14 0.05 -0.17 0.00 0.38 0.00 0.00 41.96 42.08 1n8j s TYR 38 CO 0.19 -0.41 1.59 -1.35 -1.52 0.00 0.00 175.55 174.05 1n8j h PRO 39 N 3.68 -0.94 -2.08 -3.49 0.11 -1.76 -3.39 132.00 124.12 1n8j h PRO 39 Ca -0.31 0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.81 1n8j h PRO 39 Cb 1.19 0.21 -0.18 0.00 0.11 0.00 0.00 31.00 32.33 1n8j h PRO 39 CO 0.43 -0.63 0.19 0.00 -0.21 0.00 0.00 178.00 177.78 1n8j s ALA 40 N -5.97 -1.76 0.77 -0.75 0.00 -1.26 -4.26 121.76 108.53 1n8j s ALA 40 Ca -0.18 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1n8j s ALA 40 Cb 0.04 0.07 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1n8j s ALA 40 CO 0.62 -0.40 1.11 -0.51 0.00 0.00 0.00 175.76 176.57 1n8j s ASP 41 N -1.32 4.35 -1.80 0.00 1.11 -1.26 -3.57 116.67 114.18 1n8j s ASP 41 Ca -0.10 1.95 0.00 0.00 0.18 0.00 0.00 52.55 54.58 1n8j s ASP 41 Cb -0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 1n8j s ASP 41 CO 0.08 -2.14 0.00 0.49 1.18 0.00 0.00 175.17 174.78 1n8j n PHE 42 N -3.37 -0.00 -0.93 4.23 3.01 -1.26 -4.99 117.46 114.14 1n8j n PHE 42 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1n8j n PHE 42 Cb 0.52 -2.93 0.00 0.00 -0.01 0.00 0.00 39.48 37.06 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 -2.51 0.00 -0.01 4.37 -2.24 -1.23 -5.11 114.28 107.54 1n8j n THR 43 Ca -0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 1n8j n THR 43 Cb 0.56 -0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.06 4.78 3.72 -1.26 -4.59 117.46 120.05 1n8j n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1n8j n PHE 44 Cb 0.00 -0.19 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 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 -0.28 1.34 -0.62 -4.37 2.07 -1.97 -3.33 116.25 109.09 1n8j h VAL 45 Ca -0.08 -1.39 0.12 0.00 0.82 0.00 0.00 66.70 66.18 1n8j h VAL 45 Cb 0.64 1.86 -0.12 0.00 -1.52 0.00 0.00 31.29 32.15 1n8j h VAL 45 CO -0.05 0.42 -0.14 0.28 0.02 0.00 0.00 177.57 178.10 1n8j h SER 46 N 0.08 -0.54 -0.94 0.57 0.02 -1.89 -1.42 113.55 109.42 1n8j h SER 46 Ca 0.02 0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1n8j h SER 46 Cb 0.75 0.37 -0.05 0.00 0.14 0.00 0.00 62.40 63.62 1n8j h SER 46 CO 0.05 -0.20 0.58 1.55 -1.14 0.00 0.00 176.83 177.67 1n8j h PRO 47 N 0.01 1.26 -0.66 3.45 0.13 -1.81 0.95 132.00 135.33 1n8j h PRO 47 Ca 0.30 -0.10 -0.05 0.00 -0.87 0.00 0.00 66.00 65.28 1n8j h PRO 47 Cb 0.46 -0.27 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 1n8j h PRO 47 CO -0.63 0.87 0.22 1.79 -0.23 0.00 0.00 178.00 180.02 1n8j h THR 48 N 1.29 1.24 -0.12 1.56 1.35 -1.41 0.15 112.91 116.97 1n8j h THR 48 Ca 0.34 -0.82 -0.02 0.00 -0.55 0.00 0.00 66.41 65.36 1n8j h THR 48 Cb -0.08 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1n8j h THR 48 CO -0.07 0.32 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.19 1n8j h GLU 49 N 0.98 0.21 -0.24 4.72 5.08 -0.52 0.79 114.58 125.60 1n8j h GLU 49 Ca 0.22 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1n8j h GLU 49 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1n8j h GLU 49 CO -0.01 0.48 0.03 -0.07 -1.00 0.00 0.00 179.01 178.44 1n8j h LEU 50 N -0.08 0.31 -0.38 1.33 3.38 -0.60 -1.35 115.31 117.93 1n8j h LEU 50 Ca 0.03 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1n8j h LEU 50 Cb 0.39 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n8j h LEU 50 CO 0.01 0.35 -0.52 1.23 0.09 0.00 0.00 178.44 179.59 1n8j h GLY 51 N 0.60 0.86 0.99 0.83 0.00 -0.48 -2.10 103.07 103.77 1n8j h GLY 51 Ca 0.08 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1n8j h GLY 51 CO 0.00 0.88 0.31 -1.80 0.00 0.00 0.00 176.54 175.93 1n8j h ASP 52 N 0.61 0.68 -0.35 0.19 -0.00 0.09 -1.64 116.42 116.01 1n8j h ASP 52 Ca 0.02 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.03 56.89 1n8j h ASP 52 Cb 1.11 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 40.25 1n8j h ASP 52 CO 0.11 0.57 -0.02 0.58 -0.00 0.00 0.00 179.24 180.48 1n8j h VAL 53 N 0.74 1.24 -0.50 2.25 2.07 -1.19 -2.02 116.25 118.84 1n8j h VAL 53 Ca 0.19 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1n8j h VAL 53 Cb 0.04 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1n8j h VAL 53 CO -0.03 0.35 0.16 0.00 0.02 0.00 0.00 177.57 178.06 1n8j h ALA 54 N 1.30 1.35 0.00 1.67 0.00 -0.92 -0.85 119.26 121.81 1n8j h ALA 54 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1n8j h ALA 54 Cb 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1n8j h ALA 54 CO 0.02 0.48 0.00 -0.44 0.00 0.00 0.00 179.25 179.31 1n8j h ASP 55 N 0.72 0.00 -0.20 0.00 3.32 -0.55 -2.13 116.42 117.59 1n8j h ASP 55 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1n8j h ASP 55 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1n8j h ASP 55 CO -0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.92 1n8j n HIS 56 N -2.93 0.26 -0.08 4.55 8.25 -0.43 -4.72 115.22 120.12 1n8j n HIS 56 Ca -0.01 -0.40 -0.04 0.00 -0.26 0.00 0.00 57.72 57.01 1n8j n HIS 56 Cb 0.15 -0.03 0.18 0.00 1.12 0.00 0.00 29.99 31.41 1n8j n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1n8j h TYR 57 N 1.43 0.76 -0.64 4.41 3.20 -0.55 0.77 116.97 126.36 1n8j h TYR 57 Ca 0.00 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 1n8j h TYR 57 Cb 0.59 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1n8j h TYR 57 CO 0.13 0.75 0.15 0.93 -1.64 0.00 0.00 178.16 178.48 1n8j h GLU 58 N 0.66 1.03 -0.43 1.82 5.08 -1.85 0.77 114.58 121.67 1n8j h GLU 58 Ca 0.12 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1n8j h GLU 58 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1n8j h GLU 58 CO 0.03 0.93 -0.05 1.49 -1.00 0.00 0.00 179.01 180.40 1n8j h GLU 59 N 0.95 0.79 -0.61 2.33 4.81 -1.81 -1.61 114.58 119.43 1n8j h GLU 59 Ca 0.20 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1n8j h GLU 59 Cb 0.37 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1n8j h GLU 59 CO 0.00 0.89 0.39 -0.07 -0.73 0.00 0.00 179.01 179.50 1n8j h LEU 60 N 0.62 0.72 -1.31 1.64 3.38 -0.42 -1.89 115.31 118.04 1n8j h LEU 60 Ca 0.12 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1n8j h LEU 60 Cb 0.57 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1n8j h LEU 60 CO 0.03 0.54 0.04 1.56 0.09 0.00 0.00 178.44 180.70 1n8j h GLN 61 N 0.83 0.51 0.00 1.13 1.08 -0.63 -0.81 115.11 117.22 1n8j h GLN 61 Ca 0.22 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1n8j h GLN 61 Cb -0.07 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1n8j h GLN 61 CO -0.05 0.50 -0.29 0.87 -0.95 0.00 0.00 178.83 178.91 1n8j h LYS 62 N 0.49 0.00 -0.03 1.46 1.57 -0.64 -2.20 116.57 117.22 1n8j h LYS 62 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1n8j h LYS 62 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1n8j h LYS 62 CO 0.00 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 1n8j n LEU 63 N -3.52 0.62 -0.25 2.94 4.77 -0.48 -4.89 117.00 116.20 1n8j n LEU 63 Ca -0.00 -0.23 -0.03 0.00 -0.03 0.00 0.00 56.01 55.72 1n8j n LEU 63 Cb 0.45 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 1n8j n LEU 63 CO 0.35 0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 1n8j n GLY 64 N 1.00 0.50 3.48 -0.72 0.00 -0.83 -4.95 105.19 103.67 1n8j n GLY 64 Ca 0.19 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.12 4.51 0.20 1.61 1.01 -0.43 -2.94 120.40 122.24 1n8j s VAL 65 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1n8j s VAL 65 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 1n8j s VAL 65 CO 0.00 0.32 0.54 -1.81 0.00 0.00 0.00 175.10 174.15 1n8j s ASP 66 N 1.62 6.66 -0.07 3.32 1.01 -0.41 -3.74 116.67 125.05 1n8j s ASP 66 Ca 0.06 0.93 0.05 0.00 0.71 0.00 0.00 52.55 54.31 1n8j s ASP 66 Cb -0.15 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.54 1n8j s ASP 66 CO 0.05 -0.02 -0.24 -0.69 0.21 0.00 0.00 175.17 174.48 1n8j s VAL 67 N -1.72 2.12 -0.19 -1.27 1.01 -1.26 -0.99 120.40 118.10 1n8j s VAL 67 Ca 0.44 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1n8j s VAL 67 Cb -0.12 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.53 1n8j s VAL 67 CO 0.21 0.57 -0.03 -0.31 0.00 0.00 0.00 175.10 175.54 1n8j s TYR 68 N -0.04 1.69 0.42 5.22 1.51 -0.22 -3.37 117.35 122.55 1n8j s TYR 68 Ca -0.07 -1.19 -0.13 0.00 -1.01 0.00 0.00 57.07 54.67 1n8j s TYR 68 Cb -0.15 -1.30 -0.07 0.00 -0.11 0.00 0.00 41.96 40.33 1n8j s TYR 68 CO 0.05 -0.65 0.82 -1.54 -1.11 0.00 0.00 175.55 173.12 1n8j s SER 69 N 1.64 6.60 -0.09 2.29 1.04 -0.75 -0.63 113.70 123.80 1n8j s SER 69 Ca -0.02 1.28 -0.05 0.00 0.48 0.00 0.00 55.95 57.65 1n8j s SER 69 Cb -0.17 -2.38 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1n8j s SER 69 CO -0.07 -0.41 0.22 -0.69 0.98 0.00 0.00 173.24 173.27 1n8j s VAL 70 N -2.35 -0.05 0.16 5.02 1.01 0.14 -0.86 120.40 123.46 1n8j s VAL 70 Ca 0.54 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1n8j s VAL 70 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1n8j s VAL 70 CO 0.28 0.07 0.22 -0.94 0.00 0.00 0.00 175.10 174.73 1n8j s SER 71 N 1.28 0.11 0.00 3.32 1.04 -1.18 -1.45 113.70 116.82 1n8j s SER 71 Ca -0.09 -1.02 0.08 0.00 0.48 0.00 0.00 55.95 55.40 1n8j s SER 71 Cb -0.11 0.40 0.33 0.00 0.10 0.00 0.00 66.02 66.74 1n8j s SER 71 CO -0.08 -0.86 1.23 0.35 0.98 0.00 0.00 173.24 174.86 1n8j n THR 72 N -0.20 0.16 -1.90 2.02 -2.24 -1.26 -0.89 114.28 109.97 1n8j n THR 72 Ca -0.06 -0.17 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 1n8j n THR 72 Cb 0.63 0.06 0.07 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.14 4.86 0.68 3.42 1.01 -1.26 -3.54 116.67 120.70 1n8j s ASP 73 Ca 0.14 0.90 -0.05 0.00 0.71 0.00 0.00 52.55 54.26 1n8j s ASP 73 Cb 0.07 -1.51 0.06 0.00 1.01 0.00 0.00 42.92 42.55 1n8j s ASP 73 CO 0.10 -1.69 0.97 0.42 0.21 0.00 0.00 175.17 175.19 1n8j s THR 74 N -3.49 2.34 0.35 -1.27 -4.23 -1.26 -3.00 115.64 105.07 1n8j s THR 74 Ca 0.61 -0.36 0.18 0.00 -1.18 0.00 0.00 61.69 60.93 1n8j s THR 74 Cb -0.11 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.92 1n8j s THR 74 CO 0.50 0.00 1.89 1.12 -0.54 0.00 0.00 174.62 177.59 1n8j h HIS 75 N -0.49 0.00 -0.52 3.99 2.07 -1.88 -2.42 115.15 115.90 1n8j h HIS 75 Ca -0.43 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1n8j h HIS 75 Cb 1.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.26 1n8j h HIS 75 CO 0.26 0.28 0.32 0.74 -3.07 0.00 0.00 177.93 176.46 1n8j h PHE 76 N 0.00 0.68 -0.67 6.12 -1.00 -1.96 0.50 116.94 120.61 1n8j h PHE 76 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1n8j h PHE 76 Cb 0.58 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 1n8j h PHE 76 CO 0.00 0.47 0.15 1.15 -1.61 0.00 0.00 178.31 178.46 1n8j h THR 77 N 0.70 1.26 -0.76 -1.55 2.02 -1.86 -0.90 112.91 111.82 1n8j h THR 77 Ca 0.19 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 1n8j h THR 77 Cb -0.02 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1n8j h THR 77 CO -0.04 0.37 0.34 0.45 0.37 0.00 0.00 175.52 177.01 1n8j h HIS 78 N 1.01 1.13 -0.43 3.16 3.86 -0.94 0.35 115.15 123.29 1n8j h HIS 78 Ca 0.21 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1n8j h HIS 78 Cb 0.38 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1n8j h HIS 78 CO 0.03 0.84 0.09 -0.22 0.86 0.00 0.00 177.93 179.53 1n8j h LYS 79 N 1.09 0.70 -0.73 2.45 3.64 -0.43 -1.29 116.57 122.00 1n8j h LYS 79 Ca 0.26 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1n8j h LYS 79 Cb 0.16 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1n8j h LYS 79 CO -0.03 0.71 0.30 0.00 -2.27 0.00 0.00 179.45 178.17 1n8j h ALA 80 N 0.95 0.95 -0.37 5.00 0.00 -0.73 -2.35 119.26 122.71 1n8j h ALA 80 Ca 0.13 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1n8j h ALA 80 Cb 0.34 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1n8j h ALA 80 CO 0.00 0.56 -0.17 2.35 0.00 0.00 0.00 179.25 182.00 1n8j h TRP 81 N 1.04 0.75 0.00 0.00 7.01 -0.82 -2.02 115.95 121.92 1n8j h TRP 81 Ca 0.24 -0.15 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1n8j h TRP 81 Cb 0.20 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.07 1n8j h TRP 81 CO 0.02 0.80 -0.04 1.25 -2.79 0.00 0.00 178.44 177.68 1n8j h HIS 82 N 0.61 0.00 0.00 2.65 2.76 -0.71 -2.24 115.15 118.22 1n8j h HIS 82 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1n8j h HIS 82 Cb 0.63 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.59 1n8j h HIS 82 CO 0.03 0.04 -1.39 0.43 -1.30 0.00 0.00 177.93 175.74 1n8j n SER 83 N -3.45 0.50 -0.00 3.26 7.64 -0.79 -3.84 113.62 116.94 1n8j n SER 83 Ca -0.02 0.13 0.07 0.00 1.01 0.00 0.00 58.87 60.06 1n8j n SER 83 Cb 0.15 1.09 -0.09 0.00 -1.01 0.00 0.00 64.21 64.35 1n8j n SER 83 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1n8j n SER 84 N -2.42 0.92 -4.45 6.43 3.41 -0.98 -4.96 113.62 111.57 1n8j n SER 84 Ca -0.01 -0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 57.64 1n8j n SER 84 Cb 0.54 1.18 -0.13 0.00 -0.26 0.00 0.00 64.21 65.54 1n8j n SER 84 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1n8j s SER 85 N -2.72 4.33 0.11 4.04 0.15 -0.88 -5.01 113.70 113.71 1n8j s SER 85 Ca 0.03 -0.22 -0.19 0.00 0.70 0.00 0.00 55.95 56.27 1n8j s SER 85 Cb 0.11 -1.53 -0.06 0.00 -1.71 0.00 0.00 66.02 62.83 1n8j s SER 85 CO 0.60 0.21 1.70 -0.33 1.20 0.00 0.00 173.24 176.62 1n8j h GLU 86 N 6.37 0.36 -0.12 5.44 5.08 -1.92 -1.44 114.58 128.35 1n8j h GLU 86 Ca -0.32 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 57.85 1n8j h GLU 86 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1n8j h GLU 86 CO 0.57 0.34 -0.54 1.79 -1.00 0.00 0.00 179.01 180.17 1n8j h THR 87 N 0.28 1.35 0.00 1.13 1.35 -1.95 -3.06 112.91 112.01 1n8j h THR 87 Ca 0.09 -1.82 -0.12 0.00 -0.55 0.00 0.00 66.41 64.01 1n8j h THR 87 Cb 0.09 1.85 -0.02 0.00 -1.73 0.00 0.00 68.15 68.34 1n8j h THR 87 CO -0.01 0.55 -0.56 0.40 -0.25 0.00 0.00 175.52 175.65 1n8j h ILE 88 N 0.28 1.26 -0.08 6.82 1.08 -1.85 -3.19 117.51 121.83 1n8j h ILE 88 Ca 0.01 -2.00 -0.02 0.00 -0.39 0.00 0.00 64.86 62.46 1n8j h ILE 88 Cb 1.04 2.12 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 1n8j h ILE 88 CO 0.09 0.55 -0.03 0.00 -0.69 0.00 0.00 178.15 178.07 1n8j h ALA 89 N 1.44 1.81 0.00 1.87 0.00 -1.15 -1.77 119.26 121.46 1n8j h ALA 89 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1n8j h ALA 89 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1n8j h ALA 89 CO 0.07 0.15 0.00 0.36 0.00 0.00 0.00 179.25 179.83 1n8j n LYS 90 N -4.44 0.81 -2.33 0.00 2.85 -1.20 -4.80 118.16 109.05 1n8j n LYS 90 Ca -0.02 0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 1n8j n LYS 90 Cb 0.15 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.01 1n8j n LYS 90 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n8j s ILE 91 N -2.10 4.02 -1.01 0.58 1.01 -0.67 -4.88 121.20 118.16 1n8j s ILE 91 Ca 0.40 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.46 1n8j s ILE 91 Cb 0.19 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.86 1n8j s ILE 91 CO 0.35 -0.05 0.72 0.29 0.00 0.00 0.00 174.94 176.25 1n8j n LYS 92 N 5.89 0.76 -2.65 2.79 5.02 -1.26 -4.67 118.16 124.03 1n8j n LYS 92 Ca 0.13 -0.90 -0.22 0.00 -2.02 0.00 0.00 58.31 55.31 1n8j n LYS 92 Cb 0.45 -1.13 0.04 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.86 2.90 0.20 2.13 -0.85 -1.26 -4.57 117.35 115.04 1n8j s TYR 93 Ca 0.09 0.04 -0.30 0.00 -0.52 0.00 0.00 57.07 56.39 1n8j s TYR 93 Cb 0.07 -2.74 -0.08 0.00 0.38 0.00 0.00 41.96 39.59 1n8j s TYR 93 CO 0.14 -0.85 1.26 0.00 -1.52 0.00 0.00 175.55 174.57 1n8j s ALA 94 N -2.77 3.49 -0.38 9.51 0.00 -1.22 -4.65 121.76 125.74 1n8j s ALA 94 Ca 0.57 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 53.52 1n8j s ALA 94 Cb -0.10 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.65 1n8j s ALA 94 CO 0.39 -0.47 0.17 -1.64 0.00 0.00 0.00 175.76 174.21 1n8j s MET 95 N -0.23 2.34 0.13 0.00 1.00 0.75 -1.80 119.30 121.49 1n8j s MET 95 Ca 0.55 -1.53 -0.24 0.00 0.00 0.00 0.00 55.69 54.46 1n8j s MET 95 Cb -0.35 -3.56 -0.07 0.00 0.00 0.00 0.00 34.83 30.85 1n8j s MET 95 CO 0.38 -0.91 0.75 0.42 0.00 0.00 0.00 175.02 175.66 1n8j s ILE 96 N 1.28 4.49 -0.21 2.53 1.01 -0.04 -0.57 121.20 129.69 1n8j s ILE 96 Ca 0.03 1.63 -0.07 0.00 0.00 0.00 0.00 60.65 62.24 1n8j s ILE 96 Cb -0.22 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1n8j s ILE 96 CO -0.01 0.49 0.06 -0.83 0.00 0.00 0.00 174.94 174.65 1n8j s GLY 97 N -0.90 1.83 -0.53 6.18 0.00 -0.65 -3.10 107.32 110.14 1n8j s GLY 97 Ca 0.35 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 44.23 1n8j s GLY 97 CO 0.25 0.23 0.91 1.34 0.00 0.00 0.00 173.10 175.83 1n8j n ASP 98 N 4.09 3.71 0.15 1.64 2.03 -0.07 -4.21 116.55 123.89 1n8j n ASP 98 Ca -0.16 -3.54 0.14 0.00 0.52 0.00 0.00 54.79 51.74 1n8j n ASP 98 Cb 0.52 -0.57 0.68 0.00 -0.72 0.00 0.00 41.12 41.02 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 2.98 0.00 0.00 -0.67 0.13 -1.72 -0.35 132.00 132.37 1n8j h PRO 99 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1n8j h PRO 99 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1n8j h PRO 99 CO 0.75 0.00 -0.26 0.25 -0.23 0.00 0.00 178.00 178.51 1n8j n THR 100 N -4.42 0.19 -0.97 1.56 -2.24 -1.26 -4.93 114.28 102.21 1n8j n THR 100 Ca 0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n8j n THR 100 Cb 0.31 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1n8j n THR 100 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n8j n GLY 101 N 1.43 0.40 0.16 3.38 0.00 -0.14 -4.92 105.19 105.49 1n8j n GLY 101 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.34 -0.33 4.61 0.00 -1.92 0.31 119.26 122.26 1n8j h ALA 102 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1n8j h ALA 102 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1n8j h ALA 102 CO 0.00 0.08 0.20 1.25 0.00 0.00 0.00 179.25 180.78 1n8j h LEU 103 N 0.22 0.33 -0.80 0.00 6.46 -1.91 0.15 115.31 119.75 1n8j h LEU 103 Ca 0.07 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 1n8j h LEU 103 Cb 0.43 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1n8j h LEU 103 CO 0.01 0.24 0.52 0.74 -0.62 0.00 0.00 178.44 179.34 1n8j h THR 104 N 0.41 1.21 -0.05 1.05 2.02 -1.88 -2.42 112.91 113.25 1n8j h THR 104 Ca 0.13 -0.41 -0.12 0.00 0.77 0.00 0.00 66.41 66.79 1n8j h THR 104 Cb -0.01 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1n8j h THR 104 CO -0.05 0.21 -0.50 0.03 0.37 0.00 0.00 175.52 175.58 1n8j h ARG 105 N 1.09 0.13 -0.13 6.66 3.08 -0.47 0.31 114.38 125.06 1n8j h ARG 105 Ca 0.29 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1n8j h ARG 105 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1n8j h ARG 105 CO -0.06 0.61 0.06 -0.91 -1.07 0.00 0.00 179.97 178.59 1n8j h ASN 106 N 0.11 0.15 -0.59 7.04 2.35 -0.48 0.19 115.58 124.34 1n8j h ASN 106 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1n8j h ASN 106 Cb 0.92 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.26 1n8j h ASN 106 CO 0.07 0.14 0.00 0.49 -1.65 0.00 0.00 177.43 176.48 1n8j n PHE 107 N -4.49 1.66 -4.22 1.19 3.72 -1.05 -4.86 117.46 109.41 1n8j n PHE 107 Ca -0.01 -0.62 -0.31 0.00 -0.05 0.00 0.00 57.45 56.47 1n8j n PHE 107 Cb 0.10 -0.34 -0.07 0.00 -0.94 0.00 0.00 39.48 38.23 1n8j n PHE 107 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1n8j n ASP 108 N 0.88 0.12 -0.48 4.37 2.03 0.68 -4.85 116.55 119.29 1n8j n ASP 108 Ca 0.25 -1.18 0.07 0.00 0.52 0.00 0.00 54.79 54.45 1n8j n ASP 108 Cb 0.98 -2.09 0.16 0.00 -0.72 0.00 0.00 41.12 39.44 1n8j n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1n8j n ASN 109 N -2.87 1.79 -4.79 1.67 4.05 0.07 -5.00 115.26 110.17 1n8j n ASN 109 Ca -0.26 -3.38 -0.37 0.00 0.45 0.00 0.00 54.58 51.02 1n8j n ASN 109 Cb 0.66 -0.46 -0.06 0.00 1.23 0.00 0.00 39.78 41.15 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 -2.69 3.97 -0.68 1.20 1.75 -1.26 -1.61 119.30 119.99 1n8j s MET 110 Ca 0.34 0.16 -0.20 0.00 -1.25 0.00 0.00 55.69 54.74 1n8j s MET 110 Cb 0.32 -3.31 0.11 0.00 2.84 0.00 0.00 34.83 34.79 1n8j s MET 110 CO -0.04 0.50 0.84 1.03 -0.65 0.00 0.00 175.02 176.70 1n8j s ARG 111 N -0.34 3.18 0.29 4.11 0.52 0.05 -4.90 118.95 121.85 1n8j s ARG 111 Ca 0.19 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 54.06 1n8j s ARG 111 Cb -0.14 -4.37 0.48 0.00 0.52 0.00 0.00 34.95 31.44 1n8j s ARG 111 CO 0.07 -1.64 1.89 0.93 0.02 0.00 0.00 175.30 176.58 1n8j h GLU 112 N 9.15 1.06 0.00 3.54 4.39 -1.95 -0.08 114.58 130.69 1n8j h GLU 112 Ca -0.20 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1n8j h GLU 112 Cb 1.07 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1n8j h GLU 112 CO 1.10 0.70 0.00 -0.40 -1.16 0.00 0.00 179.01 179.26 1n8j n ASP 113 N -4.50 0.00 -0.00 1.42 5.68 -1.26 -3.39 116.55 114.50 1n8j n ASP 113 Ca 0.15 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.56 1n8j n ASP 113 Cb 0.20 -0.34 -0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1n8j n ASP 113 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n8j n GLU 114 N -1.34 1.14 -2.14 0.11 1.02 -0.83 -5.01 120.64 113.59 1n8j n GLU 114 Ca 0.08 -0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 1n8j n GLU 114 Cb 0.18 -0.92 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 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 2.25 0.01 3.25 0.62 0.00 -0.10 -5.00 105.19 106.22 1n8j n GLY 115 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.57 2.42 0.33 0.99 1.43 -1.22 -4.82 118.68 114.24 1n8j s LEU 116 Ca 0.00 -0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 52.10 1n8j s LEU 116 Cb 0.00 -0.56 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 1n8j s LEU 116 CO 0.00 -0.15 0.78 0.00 0.23 0.00 0.00 176.35 177.21 1n8j s ALA 117 N -2.22 3.28 0.77 4.21 0.00 -1.26 -0.77 121.76 125.77 1n8j s ALA 117 Ca 0.10 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 1n8j s ALA 117 Cb -0.04 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.28 1n8j s ALA 117 CO 0.03 0.29 1.10 -0.51 0.00 0.00 0.00 175.76 176.68 1n8j s ASP 118 N -2.17 4.76 -1.01 0.00 1.11 -0.63 -2.75 116.67 115.98 1n8j s ASP 118 Ca 0.54 1.21 -0.23 0.00 0.18 0.00 0.00 52.55 54.25 1n8j s ASP 118 Cb -0.11 -1.95 0.00 0.00 1.07 0.00 0.00 42.92 41.94 1n8j s ASP 118 CO 0.17 -1.79 1.71 -0.60 1.18 0.00 0.00 175.17 175.85 1n8j s ARG 119 N -5.25 3.12 0.02 8.23 3.52 -1.25 -4.05 118.95 123.30 1n8j s ARG 119 Ca 0.60 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1n8j s ARG 119 Cb -0.13 -5.25 -0.02 0.00 -1.56 0.00 0.00 34.95 28.00 1n8j s ARG 119 CO 0.53 -2.83 -0.07 0.00 -0.81 0.00 0.00 175.30 172.13 1n8j s ALA 120 N 7.45 0.53 -0.03 6.12 0.00 -1.17 -0.33 121.76 134.33 1n8j s ALA 120 Ca 0.58 -0.53 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1n8j s ALA 120 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1n8j s ALA 120 CO -0.03 0.04 -0.20 0.99 0.00 0.00 0.00 175.76 176.57 1n8j s THR 121 N -0.81 1.59 -0.06 0.00 2.01 0.41 -0.15 115.64 118.62 1n8j s THR 121 Ca -0.04 -0.83 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1n8j s THR 121 Cb -0.06 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1n8j s THR 121 CO 0.00 0.45 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.88 1n8j s PHE 122 N -0.26 1.61 -0.25 4.92 0.40 0.46 -1.88 117.98 122.98 1n8j s PHE 122 Ca 0.02 -0.58 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1n8j s PHE 122 Cb -0.10 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.24 1n8j s PHE 122 CO 0.01 -0.27 0.16 0.08 0.70 0.00 0.00 175.22 175.90 1n8j s VAL 123 N 0.49 5.23 -0.13 -0.44 1.01 -0.54 -0.39 120.40 125.63 1n8j s VAL 123 Ca -0.13 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1n8j s VAL 123 Cb -0.15 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1n8j s VAL 123 CO 0.04 0.32 -0.22 -0.69 0.00 0.00 0.00 175.10 174.55 1n8j s VAL 124 N 1.29 2.03 0.96 2.92 1.01 0.13 -0.48 120.40 128.26 1n8j s VAL 124 Ca 0.07 -0.97 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1n8j s VAL 124 Cb -0.14 -1.79 0.18 0.00 0.00 0.00 0.00 36.38 34.63 1n8j s VAL 124 CO 0.06 0.55 1.26 1.51 0.00 0.00 0.00 175.10 178.48 1n8j s ASP 125 N 0.74 3.14 0.62 3.32 1.47 -0.43 0.17 116.67 125.70 1n8j s ASP 125 Ca -0.09 0.44 0.31 0.00 1.18 0.00 0.00 52.55 54.39 1n8j s ASP 125 Cb -0.16 -0.61 1.70 0.00 -0.34 0.00 0.00 42.92 43.51 1n8j s ASP 125 CO -0.00 -2.73 2.03 -0.65 0.68 0.00 0.00 175.17 174.50 1n8j h PRO 126 N -1.63 0.00 -0.37 2.11 0.11 -1.86 0.26 132.00 130.61 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1n8j h PRO 126 CO 0.44 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.27 1n8j n GLN 127 N -3.42 2.14 -0.86 1.05 3.00 -1.26 -1.63 117.38 116.40 1n8j n GLN 127 Ca 0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 1n8j n GLN 127 Cb 0.38 -1.43 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 1.31 0.62 3.72 1.08 0.00 0.08 -4.91 105.19 107.10 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 -2.24 5.05 0.01 -0.61 -1.09 -1.26 -1.16 121.20 119.90 1n8j s ILE 129 Ca 0.00 1.31 -0.30 0.00 -2.23 0.00 0.00 60.65 59.43 1n8j s ILE 129 Cb 0.00 -3.98 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1n8j s ILE 129 CO 0.00 0.29 1.37 -0.63 -1.23 0.00 0.00 174.94 174.74 1n8j s ILE 130 N 0.61 3.75 -0.30 2.92 1.01 -0.62 -1.32 121.20 127.25 1n8j s ILE 130 Ca 0.34 1.15 0.05 0.00 0.00 0.00 0.00 60.65 62.19 1n8j s ILE 130 Cb -0.17 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1n8j s ILE 130 CO 0.16 0.01 0.27 0.00 0.00 0.00 0.00 174.94 175.38 1n8j n GLN 131 N 5.15 4.72 -3.63 2.79 1.13 0.37 -1.07 117.38 126.84 1n8j n GLN 131 Ca 0.13 -0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 54.98 1n8j n GLN 131 Cb 0.44 -0.78 -0.07 0.00 0.11 0.00 0.00 30.24 29.94 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 -1.38 -1.87 0.03 -1.58 0.00 -1.25 -4.96 121.76 110.74 1n8j s ALA 132 Ca 0.02 2.02 0.02 0.00 0.00 0.00 0.00 51.96 54.03 1n8j s ALA 132 Cb 0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1n8j s ALA 132 CO 0.20 -0.31 -0.08 0.42 0.00 0.00 0.00 175.76 175.99 1n8j s ILE 133 N 0.48 0.59 -0.09 0.00 1.01 -1.26 -1.47 121.20 120.45 1n8j s ILE 133 Ca -0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1n8j s ILE 133 Cb -0.05 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.87 1n8j s ILE 133 CO -0.04 -0.17 0.22 -0.70 0.00 0.00 0.00 174.94 174.25 1n8j s GLU 134 N -1.06 0.18 -0.04 2.79 2.12 -0.79 -4.99 118.70 116.91 1n8j s GLU 134 Ca -0.04 0.47 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1n8j s GLU 134 Cb -0.07 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.22 1n8j s GLU 134 CO 0.00 -0.15 -0.08 0.08 -0.54 0.00 0.00 175.26 174.57 1n8j s VAL 135 N 1.14 0.78 0.19 3.70 1.01 -1.26 -0.45 120.40 125.51 1n8j s VAL 135 Ca -0.08 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.66 1n8j s VAL 135 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 1n8j s VAL 135 CO -0.07 0.26 -0.13 0.42 0.00 0.00 0.00 175.10 175.59 1n8j s THR 136 N 0.58 1.53 0.81 3.92 -4.23 0.55 -5.00 115.64 113.79 1n8j s THR 136 Ca -0.09 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.13 1n8j s THR 136 Cb -0.13 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 71.81 1n8j s THR 136 CO 0.01 -0.64 1.17 0.00 -0.54 0.00 0.00 174.62 174.62 1n8j s ALA 137 N -3.10 1.89 0.30 3.99 0.00 -1.26 -3.92 121.76 119.65 1n8j s ALA 137 Ca 0.21 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.90 1n8j s ALA 137 Cb 0.01 -3.44 0.77 0.00 0.00 0.00 0.00 23.12 20.45 1n8j s ALA 137 CO 0.05 -2.21 1.64 1.49 0.00 0.00 0.00 175.76 176.73 1n8j h GLU 138 N -1.00 0.19 -0.56 0.00 4.57 -2.00 -1.54 114.58 114.24 1n8j h GLU 138 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1n8j h GLU 138 Cb 1.28 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1n8j h GLU 138 CO 0.47 0.12 0.00 0.41 -1.18 0.00 0.00 179.01 178.83 1n8j n GLY 139 N -1.38 1.65 3.11 1.92 0.00 -1.26 -4.82 105.19 104.41 1n8j n GLY 139 Ca 0.23 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1n8j n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n8j s ILE 140 N -1.58 2.41 0.41 -0.61 1.01 -0.58 -5.09 121.20 117.17 1n8j s ILE 140 Ca 0.34 -1.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.27 1n8j s ILE 140 Cb 0.20 -2.37 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1n8j s ILE 140 CO 0.19 0.01 1.09 -0.83 0.00 0.00 0.00 174.94 175.40 1n8j s GLY 141 N 1.17 2.76 0.78 6.18 0.00 -1.26 -4.58 107.32 112.37 1n8j s GLY 141 Ca -0.06 0.78 -0.10 0.00 0.00 0.00 0.00 44.72 45.33 1n8j s GLY 141 CO -0.05 1.23 1.13 0.50 0.00 0.00 0.00 173.10 175.91 1n8j s ARG 142 N -2.49 1.94 -0.25 2.90 0.52 -1.26 -5.08 118.95 115.23 1n8j s ARG 142 Ca 0.59 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.72 1n8j s ARG 142 Cb -0.24 -2.03 0.07 0.00 0.52 0.00 0.00 34.95 33.27 1n8j s ARG 142 CO 0.30 -1.53 -0.02 0.34 0.02 0.00 0.00 175.30 174.41 1n8j s ASP 143 N -4.58 3.84 0.50 0.23 -1.08 -1.26 -4.91 116.67 109.41 1n8j s ASP 143 Ca 0.62 -1.27 0.20 0.00 -0.52 0.00 0.00 52.55 51.58 1n8j s ASP 143 Cb -0.10 -1.11 1.25 0.00 -1.46 0.00 0.00 42.92 41.50 1n8j s ASP 143 CO 0.48 -0.28 2.01 0.00 0.52 0.00 0.00 175.17 177.90 1n8j h ALA 144 N 7.97 2.26 -0.11 3.66 0.00 -1.93 -1.21 119.26 129.91 1n8j h ALA 144 Ca -0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1n8j h ALA 144 Cb 1.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1n8j h ALA 144 CO 0.42 -0.39 -0.18 0.66 0.00 0.00 0.00 179.25 179.76 1n8j h SER 145 N 0.14 0.17 -0.29 0.00 4.64 -1.95 -0.55 113.55 115.72 1n8j h SER 145 Ca 0.23 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 1n8j h SER 145 Cb 0.71 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1n8j h SER 145 CO -0.03 0.37 -0.34 0.44 -0.87 0.00 0.00 176.83 176.40 1n8j h ASP 146 N 0.17 0.87 -0.07 4.97 3.45 -1.66 -2.55 116.42 121.60 1n8j h ASP 146 Ca 0.03 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.12 1n8j h ASP 146 Cb 0.42 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1n8j h ASP 146 CO 0.03 1.13 0.04 0.25 -1.57 0.00 0.00 179.24 179.11 1n8j h LEU 147 N 0.69 0.09 -0.92 1.55 5.85 -1.19 -2.66 115.31 118.72 1n8j h LEU 147 Ca 0.07 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1n8j h LEU 147 Cb 0.90 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1n8j h LEU 147 CO 0.08 0.16 0.57 -0.07 -0.34 0.00 0.00 178.44 178.84 1n8j h LEU 148 N 0.02 0.88 -0.92 2.25 3.38 -0.98 -0.63 115.31 119.32 1n8j h LEU 148 Ca 0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1n8j h LEU 148 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1n8j h LEU 148 CO -0.00 0.54 0.33 -0.09 0.09 0.00 0.00 178.44 179.31 1n8j h ARG 149 N 1.01 1.11 -0.36 1.13 2.43 -1.27 -0.39 114.38 118.03 1n8j h ARG 149 Ca 0.41 -0.18 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1n8j h ARG 149 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1n8j h ARG 149 CO -0.20 0.88 -0.39 0.87 -1.51 0.00 0.00 179.97 179.62 1n8j h LYS 150 N 1.09 0.88 -0.36 0.20 1.57 -0.97 -1.83 116.57 117.16 1n8j h LYS 150 Ca 0.26 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1n8j h LYS 150 Cb 0.17 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1n8j h LYS 150 CO -0.03 1.11 0.22 0.82 -0.57 0.00 0.00 179.45 181.01 1n8j h ILE 151 N 0.72 1.11 -0.52 1.86 2.04 -0.75 0.89 117.51 122.85 1n8j h ILE 151 Ca 0.06 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1n8j h ILE 151 Cb 0.97 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1n8j h ILE 151 CO 0.09 0.11 0.15 0.11 0.00 0.00 0.00 178.15 178.61 1n8j h LYS 152 N 0.47 0.78 -0.34 2.37 1.57 -0.98 0.29 116.57 120.74 1n8j h LYS 152 Ca 0.13 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1n8j h LYS 152 Cb -0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1n8j h LYS 152 CO -0.03 0.69 -0.40 0.00 -0.57 0.00 0.00 179.45 179.14 1n8j h ALA 153 N 1.40 0.64 -0.45 3.86 0.00 -0.84 -0.89 119.26 122.98 1n8j h ALA 153 Ca 0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1n8j h ALA 153 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1n8j h ALA 153 CO -0.01 0.67 0.13 0.00 0.00 0.00 0.00 179.25 180.05 1n8j h ALA 154 N 0.85 0.60 -0.10 0.00 0.00 -0.28 -1.70 119.26 118.63 1n8j h ALA 154 Ca 0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1n8j h ALA 154 Cb 0.98 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1n8j h ALA 154 CO 0.09 0.26 -0.24 1.96 0.00 0.00 0.00 179.25 181.32 1n8j h GLN 155 N 0.60 0.17 -0.14 0.00 4.20 -0.88 -2.48 115.11 116.57 1n8j h GLN 155 Ca 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 1n8j h GLN 155 Cb 0.28 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1n8j h GLN 155 CO -0.00 0.40 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.47 1n8j h TYR 156 N 0.15 0.45 0.00 2.96 3.20 -0.72 -2.81 116.97 120.20 1n8j h TYR 156 Ca 0.03 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.69 1n8j h TYR 156 Cb 0.51 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 1n8j h TYR 156 CO 0.01 0.78 -0.28 -0.39 -1.64 0.00 0.00 178.16 176.64 1n8j h VAL 157 N -0.02 0.74 -0.03 1.81 -1.51 -1.25 -1.45 116.25 114.55 1n8j h VAL 157 Ca 0.02 -1.21 -0.11 0.00 -1.23 0.00 0.00 66.70 64.17 1n8j h VAL 157 Cb 0.72 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1n8j h VAL 157 CO 0.04 0.28 -0.49 0.00 -1.23 0.00 0.00 177.57 176.17 1n8j h ALA 158 N 1.72 1.14 0.00 5.19 0.00 -1.42 -3.00 119.26 122.89 1n8j h ALA 158 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n8j h ALA 158 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n8j h ALA 158 CO 0.04 0.62 -0.71 0.00 0.00 0.00 0.00 179.25 179.20 1n8j n ALA 159 N -2.45 3.68 -3.45 0.00 0.00 -0.96 -4.53 120.51 112.79 1n8j n ALA 159 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 1n8j n ALA 159 Cb 0.51 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.84 1n8j n ALA 159 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n8j n HIS 160 N -1.65 0.64 -2.06 0.00 -0.00 -0.58 -5.10 115.22 106.47 1n8j n HIS 160 Ca 0.04 -3.68 -0.39 0.00 -0.00 0.00 0.00 57.72 53.69 1n8j n HIS 160 Cb 0.36 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.99 30.18 1n8j n HIS 160 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1n8j s PRO 161 N -0.88 3.90 0.00 -0.41 0.02 -1.23 -1.89 135.00 134.51 1n8j s PRO 161 Ca 0.33 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1n8j s PRO 161 Cb 0.07 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1n8j s PRO 161 CO -0.15 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.39 1n8j n GLY 162 N 0.65 0.67 3.13 0.52 0.00 -1.26 -5.05 105.19 103.85 1n8j n GLY 162 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.72 1.11 0.17 1.61 2.02 -0.79 -3.80 118.70 118.30 1n8j s GLU 163 Ca 0.00 -0.62 0.08 0.00 0.02 0.00 0.00 54.97 54.45 1n8j s GLU 163 Cb 0.00 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 1n8j s GLU 163 CO 0.00 0.29 -0.17 0.14 0.02 0.00 0.00 175.26 175.54 1n8j s VAL 164 N -0.52 1.75 -0.32 2.63 -7.23 0.13 -4.77 120.40 112.06 1n8j s VAL 164 Ca 0.04 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.15 1n8j s VAL 164 Cb -0.06 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 1n8j s VAL 164 CO 0.00 -0.38 0.19 0.00 -0.31 0.00 0.00 175.10 174.59 1n8j s PRO 166 N 1.65 -1.08 0.38 0.00 0.04 -1.26 -4.88 135.00 129.85 1n8j s PRO 166 Ca 0.05 0.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.00 1n8j s PRO 166 Cb -0.17 -1.59 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 1n8j s PRO 166 CO 0.08 -3.66 1.27 0.00 0.04 0.00 0.00 177.00 174.73 1n8j n ALA 167 N -4.77 1.28 -0.62 8.56 0.00 -1.26 -2.22 120.51 121.48 1n8j n ALA 167 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1n8j n ALA 167 Cb 0.59 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.78 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 0.29 0.00 -1.57 0.00 5.02 -1.26 -4.96 118.16 115.67 1n8j n LYS 168 Ca 0.06 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 1n8j n LYS 168 Cb 0.38 -3.24 -0.02 0.00 -0.02 0.00 0.00 35.03 32.13 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 -2.00 1.10 -3.95 2.13 -0.00 -0.94 -5.02 117.44 108.76 1n8j n TRP 169 Ca 0.00 0.73 -0.09 0.00 -0.00 0.00 0.00 57.50 58.14 1n8j n TRP 169 Cb 0.00 -2.22 -0.10 0.00 -0.00 0.00 0.00 31.31 28.99 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 -1.48 0.55 0.16 5.87 1.02 -1.26 -4.93 119.74 119.68 1n8j s LYS 170 Ca 0.59 -0.77 -0.33 0.00 0.02 0.00 0.00 55.97 55.49 1n8j s LYS 170 Cb -0.73 0.21 -0.16 0.00 -0.52 0.00 0.00 37.83 36.63 1n8j s LYS 170 CO 0.59 -0.13 1.00 0.39 -0.92 0.00 0.00 175.35 176.29 1n8j n GLU 171 N 0.83 0.77 -0.32 1.68 -0.58 -1.26 -1.84 120.64 119.91 1n8j n GLU 171 Ca -0.19 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1n8j n GLU 171 Cb 0.58 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.85 0.91 3.97 0.62 0.00 -1.26 -5.06 105.19 106.22 1n8j n GLY 172 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.55 2.93 0.31 1.61 2.02 -0.77 -5.07 118.70 119.18 1n8j s GLU 173 Ca 0.00 -1.17 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 1n8j s GLU 173 Cb 0.00 -2.72 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 1n8j s GLU 173 CO 0.00 -0.07 1.34 0.00 0.02 0.00 0.00 175.26 176.55 1n8j s ALA 174 N -2.27 3.53 0.51 5.21 0.00 -1.26 -4.95 121.76 122.52 1n8j s ALA 174 Ca 0.48 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.77 1n8j s ALA 174 Cb -0.09 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.54 1n8j s ALA 174 CO 0.31 -0.67 0.29 0.95 0.00 0.00 0.00 175.76 176.64 1n8j s THR 175 N -0.83 1.74 0.01 0.00 -4.23 -1.26 -4.69 115.64 106.37 1n8j s THR 175 Ca 0.52 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1n8j s THR 175 Cb -0.40 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1n8j s THR 175 CO 0.50 0.00 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.73 1n8j s LEU 176 N -4.13 3.06 -0.53 4.79 1.43 -0.49 -4.96 118.68 117.85 1n8j s LEU 176 Ca 0.31 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1n8j s LEU 176 Cb -0.00 -1.76 0.14 0.00 0.03 0.00 0.00 46.19 44.60 1n8j s LEU 176 CO 0.18 0.28 0.32 0.00 0.23 0.00 0.00 176.35 177.36 1n8j s ALA 177 N -0.98 3.38 0.26 4.21 0.00 -1.26 -0.69 121.76 126.68 1n8j s ALA 177 Ca 0.16 -3.05 -0.29 0.00 0.00 0.00 0.00 51.96 48.78 1n8j s ALA 177 Cb -0.11 -2.45 -0.14 0.00 0.00 0.00 0.00 23.12 20.42 1n8j s ALA 177 CO 0.07 -1.99 1.10 -2.30 0.00 0.00 0.00 175.76 172.64 1n8j n PRO 178 N 3.70 1.45 -3.53 0.00 -0.02 -1.25 -4.90 135.00 130.44 1n8j n PRO 178 Ca 0.05 0.51 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1n8j n PRO 178 Cb 0.38 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 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 -0.34 -0.31 0.21 2.55 1.04 -1.26 -5.01 113.70 110.58 1n8j s SER 179 Ca 0.62 0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.98 1n8j s SER 179 Cb -0.72 0.32 0.25 0.00 0.10 0.00 0.00 66.02 65.98 1n8j s SER 179 CO 0.57 -0.51 1.79 0.25 0.98 0.00 0.00 173.24 176.33 1n8j h LEU 180 N 2.03 0.46 -1.33 2.42 6.46 -1.98 -2.16 115.31 121.20 1n8j h LEU 180 Ca -0.18 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1n8j h LEU 180 Cb 1.22 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1n8j h LEU 180 CO 0.29 0.29 0.30 -0.78 -0.62 0.00 0.00 178.44 177.92 1n8j h ASP 181 N 0.60 0.67 0.97 1.25 1.82 -1.98 -2.14 116.42 117.61 1n8j h ASP 181 Ca 0.30 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1n8j h ASP 181 Cb 0.25 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1n8j h ASP 181 CO -0.22 0.55 -0.18 0.25 -1.61 0.00 0.00 179.24 178.03 1n8j h LEU 182 N 0.77 0.00 -8.82 2.28 6.46 -1.75 -3.43 115.31 110.82 1n8j h LEU 182 Ca 0.20 0.00 -0.65 0.00 -0.12 0.00 0.00 57.88 57.31 1n8j h LEU 182 Cb 0.02 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1n8j h LEU 182 CO -0.03 0.18 1.33 0.52 -0.62 0.00 0.00 178.44 179.82 1n8j n VAL 183 N -3.34 0.31 -0.06 1.05 0.31 -0.81 -1.50 118.33 114.30 1n8j n VAL 183 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1n8j n VAL 183 Cb 0.41 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 5.78 1.72 0.01 2.92 0.00 -1.26 -4.89 105.19 109.48 1n8j n GLY 184 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 0.08 0.00 1.61 5.02 -0.56 -5.26 118.16 117.05 1n8j n LYS 185 Ca 0.00 0.01 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 1n8j n LYS 185 Cb 0.00 -1.53 0.67 0.00 -0.02 0.00 0.00 35.03 34.14 1n8j n LYS 185 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99