#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ikj n THR 3 N 0.96 0.00 -4.64 0.00 -2.24 -1.26 -4.99 114.28 102.10 1ikj n THR 3 Ca -0.10 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 1ikj n THR 3 Cb 0.53 1.27 -0.13 0.00 -2.10 0.00 0.00 70.33 69.89 1ikj n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ikj s LYS 4 N -0.22 3.24 -0.75 -0.78 -0.14 -1.26 -5.04 119.74 114.78 1ikj s LYS 4 Ca 0.00 -0.61 -0.15 0.00 -1.36 0.00 0.00 55.97 53.85 1ikj s LYS 4 Cb 0.00 -2.68 0.18 0.00 -1.68 0.00 0.00 37.83 33.65 1ikj s LYS 4 CO 0.00 0.37 0.75 1.21 -0.76 0.00 0.00 175.35 176.91 1ikj s ASN 5 N -0.02 6.57 0.33 2.83 2.47 -1.26 -5.05 114.94 120.80 1ikj s ASN 5 Ca -0.01 -2.29 -0.29 0.00 0.42 0.00 0.00 52.86 50.69 1ikj s ASN 5 Cb -0.14 -2.24 -0.10 0.00 -1.45 0.00 0.00 41.25 37.32 1ikj s ASN 5 CO 0.03 -0.75 1.29 0.00 -3.72 0.00 0.00 177.10 173.96 1ikj s ALA 6 N 1.03 3.49 -0.19 1.71 0.00 -1.26 -4.99 121.76 121.55 1ikj s ALA 6 Ca 0.16 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 1ikj s ALA 6 Cb -0.15 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 1ikj s ALA 6 CO -0.05 -0.60 0.19 0.42 0.00 0.00 0.00 175.76 175.72 1ikj s ILE 7 N -1.12 5.36 0.60 0.00 -1.09 -1.26 -5.01 121.20 118.68 1ikj s ILE 7 Ca 0.49 0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 59.06 1ikj s ILE 7 Cb -0.39 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 1ikj s ILE 7 CO 0.52 0.40 1.10 0.00 -1.23 0.00 0.00 174.94 175.73 1ikj s ALA 8 N 0.54 2.61 0.16 9.38 0.00 -1.26 -4.34 121.76 128.85 1ikj s ALA 8 Ca 0.11 0.62 -0.34 0.00 0.00 0.00 0.00 51.96 52.35 1ikj s ALA 8 Cb -0.12 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1ikj s ALA 8 CO 0.01 -0.98 1.59 0.94 0.00 0.00 0.00 175.76 177.32 1ikj n GLN 9 N -1.91 2.18 -1.70 0.00 7.27 -0.27 -4.91 117.38 118.04 1ikj n GLN 9 Ca 0.10 0.79 -0.43 0.00 0.07 0.00 0.00 57.00 57.53 1ikj n GLN 9 Cb 0.52 -2.56 -0.03 0.00 2.41 0.00 0.00 30.24 30.57 1ikj n GLN 9 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1ikj n THR 10 N 3.49 0.12 -1.07 1.69 -1.04 -1.26 -2.34 114.28 113.87 1ikj n THR 10 Ca 0.17 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.05 62.13 1ikj n THR 10 Cb 0.29 -1.95 -0.01 0.00 -1.82 0.00 0.00 70.33 66.84 1ikj n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ikj n GLY 11 N 3.97 0.58 3.61 3.41 0.00 -1.26 -4.94 105.19 110.56 1ikj n GLY 11 Ca 0.17 -0.70 -0.49 0.00 0.00 0.00 0.00 46.02 45.00 1ikj n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ikj n PHE 12 N -2.89 1.71 -3.36 1.61 7.35 -0.99 -4.91 117.46 115.98 1ikj n PHE 12 Ca -0.02 0.54 -0.46 0.00 -0.76 0.00 0.00 57.45 56.75 1ikj n PHE 12 Cb 0.10 -2.38 -0.04 0.00 0.35 0.00 0.00 39.48 37.51 1ikj n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1ikj s ASN 13 N 0.41 6.40 0.24 -2.13 3.84 -1.26 -4.94 114.94 117.50 1ikj s ASN 13 Ca 0.78 -2.34 -0.02 0.00 0.21 0.00 0.00 52.86 51.49 1ikj s ASN 13 Cb -0.82 -2.17 0.28 0.00 -0.55 0.00 0.00 41.25 37.99 1ikj s ASN 13 CO 0.47 -0.67 1.70 0.07 -2.79 0.00 0.00 177.10 175.88 1ikj h LYS 14 N 8.16 0.74 -0.25 0.43 2.10 -2.00 -2.45 116.57 123.30 1ikj h LYS 14 Ca -0.06 -0.25 -0.10 0.00 -2.00 0.00 0.00 60.65 58.24 1ikj h LYS 14 Cb 1.06 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 1ikj h LYS 14 CO 0.86 0.84 -0.27 -0.44 -2.00 0.00 0.00 179.45 178.43 1ikj h ASP 15 N 0.67 0.50 -0.33 7.07 3.32 -1.92 0.17 116.42 125.90 1ikj h ASP 15 Ca 0.11 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1ikj h ASP 15 Cb 0.60 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1ikj h ASP 15 CO 0.04 0.76 -0.21 0.11 -1.72 0.00 0.00 179.24 178.23 1ikj h LYS 16 N 0.43 0.73 0.07 3.56 1.57 -1.96 -3.16 116.57 117.82 1ikj h LYS 16 Ca 0.06 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ikj h LYS 16 Cb 0.71 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1ikj h LYS 16 CO 0.05 0.95 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.93 1ikj h TYR 17 N 0.50 -0.09 -1.27 -1.35 3.20 -1.19 -3.29 116.97 113.48 1ikj h TYR 17 Ca 0.07 -0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.20 1ikj h TYR 17 Cb 0.76 0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.91 1ikj h TYR 17 CO 0.06 0.25 2.19 1.19 -1.64 0.00 0.00 178.16 180.21 1ikj n PHE 18 N -4.98 2.58 0.35 -3.82 3.72 0.03 -4.61 117.46 110.73 1ikj n PHE 18 Ca -0.08 -2.76 0.09 0.00 -0.05 0.00 0.00 57.45 54.65 1ikj n PHE 18 Cb 0.20 -1.75 0.15 0.00 -0.94 0.00 0.00 39.48 37.14 1ikj n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1ikj n ASN 19 N 1.49 2.97 0.00 4.37 6.94 -1.10 -3.72 115.26 126.20 1ikj n ASN 19 Ca 0.60 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 1ikj n ASN 19 Cb 0.26 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 1ikj n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ikj n GLY 20 N 1.12 0.66 4.01 4.83 0.00 0.76 -4.94 105.19 111.62 1ikj n GLY 20 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1ikj n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ikj s ASP 21 N -2.75 4.37 -0.05 1.61 2.15 -1.24 -4.68 116.67 116.08 1ikj s ASP 21 Ca 0.00 -0.58 -0.08 0.00 0.43 0.00 0.00 52.55 52.31 1ikj s ASP 21 Cb 0.00 0.26 -0.05 0.00 -0.30 0.00 0.00 42.92 42.83 1ikj s ASP 21 CO 0.00 -1.86 0.24 -0.69 -0.17 0.00 0.00 175.17 172.68 1ikj s VAL 22 N -3.08 5.34 -0.08 1.11 1.01 -1.26 -2.59 120.40 120.85 1ikj s VAL 22 Ca 0.67 0.32 0.05 0.00 0.00 0.00 0.00 61.98 63.02 1ikj s VAL 22 Cb -0.04 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1ikj s VAL 22 CO 0.44 0.53 -0.23 0.26 0.00 0.00 0.00 175.10 176.10 1ikj s TRP 23 N -1.13 2.40 -0.14 5.22 0.52 0.58 -4.63 118.94 121.76 1ikj s TRP 23 Ca 0.21 -0.88 -0.08 0.00 0.02 0.00 0.00 56.10 55.37 1ikj s TRP 23 Cb -0.13 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1ikj s TRP 23 CO 0.10 -0.33 0.13 0.71 0.02 0.00 0.00 176.95 177.58 1ikj s TYR 24 N 0.18 3.51 -0.21 -1.98 2.02 -0.21 -0.96 117.35 119.71 1ikj s TYR 24 Ca -0.13 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.72 1ikj s TYR 24 Cb -0.16 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.39 1ikj s TYR 24 CO 0.07 0.58 1.24 0.08 -1.57 0.00 0.00 175.55 175.95 1ikj s VAL 25 N -0.59 4.29 -0.12 0.71 1.01 -0.51 -1.00 120.40 124.19 1ikj s VAL 25 Ca 0.13 1.54 0.20 0.00 0.00 0.00 0.00 61.98 63.84 1ikj s VAL 25 Cb -0.12 -4.08 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 1ikj s VAL 25 CO 0.02 -0.24 0.26 0.35 0.00 0.00 0.00 175.10 175.49 1ikj n THR 26 N 5.60 0.77 -3.73 3.92 -2.24 0.11 -4.68 114.28 114.03 1ikj n THR 26 Ca 0.14 -0.70 -0.14 0.00 -2.27 0.00 0.00 64.05 61.08 1ikj n THR 26 Cb 0.45 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1ikj n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ikj s ASP 27 N -5.06 -0.33 0.08 3.42 1.11 -1.19 -1.02 116.67 113.68 1ikj s ASP 27 Ca -0.09 0.45 -0.05 0.00 0.18 0.00 0.00 52.55 53.04 1ikj s ASP 27 Cb 0.10 0.55 -0.02 0.00 1.07 0.00 0.00 42.92 44.61 1ikj s ASP 27 CO 0.87 -0.33 0.09 -0.72 1.18 0.00 0.00 175.17 176.26 1ikj s TYR 28 N -0.66 0.35 -0.13 4.23 1.13 -0.20 -0.97 117.35 121.11 1ikj s TYR 28 Ca -0.08 -0.83 -0.04 0.00 -1.41 0.00 0.00 57.07 54.72 1ikj s TYR 28 Cb -0.04 -0.22 0.06 0.00 -1.10 0.00 0.00 41.96 40.66 1ikj s TYR 28 CO 0.03 -0.48 0.17 -1.17 -2.51 0.00 0.00 175.55 171.60 1ikj s LEU 29 N -2.90 -0.05 -0.20 -3.49 2.96 -0.07 -0.33 118.68 114.60 1ikj s LEU 29 Ca 0.07 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.00 1ikj s LEU 29 Cb 0.06 0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.97 1ikj s LEU 29 CO -0.10 -0.28 0.08 -0.62 -1.32 0.00 0.00 176.35 174.11 1ikj s ASP 30 N 2.29 5.68 0.23 3.68 3.68 -1.26 -0.51 116.67 130.47 1ikj s ASP 30 Ca 0.04 0.07 0.25 0.00 2.13 0.00 0.00 52.55 55.03 1ikj s ASP 30 Cb -0.13 -1.99 0.92 0.00 -1.45 0.00 0.00 42.92 40.27 1ikj s ASP 30 CO -0.08 0.14 1.74 0.18 0.13 0.00 0.00 175.17 177.28 1ikj n LEU 31 N 3.75 0.70 -4.07 -1.34 4.77 -0.13 -2.75 117.00 117.93 1ikj n LEU 31 Ca -0.16 0.63 -0.35 0.00 -0.03 0.00 0.00 56.01 56.09 1ikj n LEU 31 Cb 0.52 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1ikj n LEU 31 CO 0.35 -0.40 0.24 -1.61 -1.33 0.00 0.00 177.39 174.64 1ikj s GLU 32 N -3.22 3.05 0.61 3.23 2.02 -1.26 -4.97 118.70 118.15 1ikj s GLU 32 Ca 0.07 -3.19 0.33 0.00 0.02 0.00 0.00 54.97 52.21 1ikj s GLU 32 Cb 0.11 -3.84 1.96 0.00 0.10 0.00 0.00 34.13 32.45 1ikj s GLU 32 CO 0.47 -1.25 2.27 -1.00 0.02 0.00 0.00 175.26 175.76 1ikj h PRO 33 N 6.06 0.00 0.00 0.39 0.13 -1.91 -0.20 132.00 136.47 1ikj h PRO 33 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ikj h PRO 33 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ikj h PRO 33 CO 0.81 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.33 1ikj n ASP 34 N -3.64 0.00 0.24 1.44 10.43 -1.26 -3.58 116.55 120.18 1ikj n ASP 34 Ca -0.03 -0.62 0.13 0.00 2.57 0.00 0.00 54.79 56.84 1ikj n ASP 34 Cb 0.11 -0.12 0.54 0.00 1.84 0.00 0.00 41.12 43.48 1ikj n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1ikj h ASP 35 N 0.00 0.00 -4.74 -2.24 5.19 -1.42 -3.45 116.42 109.76 1ikj h ASP 35 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1ikj h ASP 35 Cb 0.12 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.43 1ikj h ASP 35 CO 0.00 0.13 -0.72 0.68 -3.12 0.00 0.00 179.24 176.21 1ikj s VAL 36 N -3.65 0.56 0.83 -1.35 -7.23 -1.24 -5.07 120.40 103.25 1ikj s VAL 36 Ca 0.01 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.75 1ikj s VAL 36 Cb 0.10 -0.89 0.09 0.00 0.56 0.00 0.00 36.38 36.23 1ikj s VAL 36 CO 0.60 -0.53 1.16 -2.84 -0.31 0.00 0.00 175.10 173.18 1ikj s PRO 37 N -2.21 1.62 0.00 4.82 0.02 -1.26 -4.93 135.00 133.06 1ikj s PRO 37 Ca -0.04 1.55 0.29 0.00 0.02 0.00 0.00 61.00 62.81 1ikj s PRO 37 Cb -0.06 -1.79 1.22 0.00 0.02 0.00 0.00 34.50 33.89 1ikj s PRO 37 CO -0.01 -2.19 1.88 1.63 -0.33 0.00 0.00 177.00 177.98 1ikj n LYS 38 N -3.60 0.34 -4.18 5.54 5.02 -1.26 -4.64 118.16 115.38 1ikj n LYS 38 Ca 0.12 -0.07 -0.26 0.00 -2.02 0.00 0.00 58.31 56.08 1ikj n LYS 38 Cb 0.52 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 1ikj n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ikj s ARG 39 N -2.71 1.57 -0.03 1.97 1.81 -1.26 -4.96 118.95 115.33 1ikj s ARG 39 Ca 0.22 -0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 53.63 1ikj s ARG 39 Cb 0.19 -1.49 0.10 0.00 -0.45 0.00 0.00 34.95 33.31 1ikj s ARG 39 CO 0.51 -0.14 0.85 -0.47 -0.68 0.00 0.00 175.30 175.37 1ikj s TYR 40 N 1.27 -0.42 0.01 -0.53 6.14 -1.26 -4.51 117.35 118.04 1ikj s TYR 40 Ca -0.03 0.47 0.02 0.00 0.64 0.00 0.00 57.07 58.17 1ikj s TYR 40 Cb -0.14 0.50 -0.01 0.00 0.42 0.00 0.00 41.96 42.73 1ikj s TYR 40 CO -0.03 -0.54 -0.07 0.00 0.64 0.00 0.00 175.55 175.55 1ikj s ALA 42 N -0.56 -1.01 0.23 0.00 0.00 -1.26 -1.04 121.76 118.12 1ikj s ALA 42 Ca -0.02 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1ikj s ALA 42 Cb -0.05 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1ikj s ALA 42 CO 0.00 -0.28 0.54 0.00 0.00 0.00 0.00 175.76 176.01 1ikj s ALA 43 N -1.24 -0.71 0.09 0.00 0.00 -0.65 -1.43 121.76 117.82 1ikj s ALA 43 Ca -0.13 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1ikj s ALA 43 Cb -0.04 0.93 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1ikj s ALA 43 CO 0.05 -0.86 0.29 -0.48 0.00 0.00 0.00 175.76 174.76 1ikj s LEU 44 N -2.94 0.93 0.16 0.00 2.34 -0.13 -0.90 118.68 118.15 1ikj s LEU 44 Ca 0.14 -0.42 0.08 0.00 0.06 0.00 0.00 54.13 53.99 1ikj s LEU 44 Cb -0.02 1.40 -0.04 0.00 -0.56 0.00 0.00 46.19 46.97 1ikj s LEU 44 CO 0.03 -0.74 -0.05 0.00 -1.06 0.00 0.00 176.35 174.52 1ikj s ALA 45 N -3.52 3.06 -0.09 1.48 0.00 0.44 -0.31 121.76 122.82 1ikj s ALA 45 Ca 0.02 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 1ikj s ALA 45 Cb 0.02 -0.89 0.05 0.00 0.00 0.00 0.00 23.12 22.31 1ikj s ALA 45 CO -0.09 0.51 0.20 0.00 0.00 0.00 0.00 175.76 176.38 1ikj s ALA 46 N -1.61 -0.40 0.04 0.00 0.00 -1.07 -1.22 121.76 117.50 1ikj s ALA 46 Ca 0.25 0.82 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 1ikj s ALA 46 Cb -0.10 -0.68 0.10 0.00 0.00 0.00 0.00 23.12 22.45 1ikj s ALA 46 CO 0.16 -0.33 1.19 0.20 0.00 0.00 0.00 175.76 176.99 1ikj s GLY 47 N 1.61 -0.29 -0.17 0.00 0.00 -0.70 -0.17 107.32 107.61 1ikj s GLY 47 Ca -0.05 0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.94 1ikj s GLY 47 CO -0.07 0.90 0.24 -1.59 0.00 0.00 0.00 173.10 172.57 1ikj s THR 48 N -2.56 5.34 -0.20 0.90 2.01 -1.24 -0.69 115.64 119.21 1ikj s THR 48 Ca 0.16 0.42 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1ikj s THR 48 Cb 0.02 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 69.01 1ikj s THR 48 CO -0.01 0.42 -0.09 0.00 -0.69 0.00 0.00 174.62 174.25 1ikj s ALA 49 N 0.30 1.91 -1.44 7.40 0.00 -0.07 -4.77 121.76 125.09 1ikj s ALA 49 Ca 0.14 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1ikj s ALA 49 Cb -0.12 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.77 1ikj s ALA 49 CO 0.02 -0.85 0.73 0.45 0.00 0.00 0.00 175.76 176.12 1ikj n SER 50 N 4.71 -2.31 0.00 0.00 2.88 -1.26 -1.25 113.62 116.39 1ikj n SER 50 Ca -0.14 -0.87 0.00 0.00 -1.33 0.00 0.00 58.87 56.53 1ikj n SER 50 Cb 0.46 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 1ikj n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ikj n GLY 51 N -1.69 1.80 3.67 0.46 0.00 -1.26 -5.02 105.19 103.16 1ikj n GLY 51 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1ikj n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ikj s LYS 52 N -0.02 3.55 -0.18 1.61 -0.14 -0.38 -5.07 119.74 119.11 1ikj s LYS 52 Ca 0.00 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 53.98 1ikj s LYS 52 Cb 0.00 -3.05 -0.00 0.00 -1.68 0.00 0.00 37.83 33.10 1ikj s LYS 52 CO 0.00 0.48 0.98 -1.17 -0.76 0.00 0.00 175.35 174.88 1ikj s LEU 53 N -0.24 4.16 0.07 3.17 2.96 -1.26 -0.90 118.68 126.64 1ikj s LEU 53 Ca 0.07 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.40 1ikj s LEU 53 Cb -0.12 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1ikj s LEU 53 CO 0.02 -0.54 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.84 1ikj s LYS 54 N 2.60 0.78 0.02 1.98 -0.14 0.14 -0.92 119.74 124.20 1ikj s LYS 54 Ca 0.44 -0.96 0.04 0.00 -1.36 0.00 0.00 55.97 54.13 1ikj s LYS 54 Cb -0.16 -0.72 -0.02 0.00 -1.68 0.00 0.00 37.83 35.25 1ikj s LYS 54 CO 0.11 0.15 -0.11 -1.21 -0.76 0.00 0.00 175.35 173.53 1ikj s GLU 55 N -1.86 0.80 -0.11 1.68 2.02 -0.73 -1.72 118.70 118.79 1ikj s GLU 55 Ca -0.02 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.38 1ikj s GLU 55 Cb -0.09 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.37 1ikj s GLU 55 CO 0.02 0.19 -0.19 0.00 0.02 0.00 0.00 175.26 175.30 1ikj s ALA 56 N -0.72 2.39 0.13 5.21 0.00 -0.36 -1.16 121.76 127.25 1ikj s ALA 56 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1ikj s ALA 56 Cb -0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ikj s ALA 56 CO 0.01 0.29 -0.12 -0.51 0.00 0.00 0.00 175.76 175.42 1ikj s LEU 57 N 0.28 2.91 -0.04 0.00 1.43 0.20 -0.42 118.68 123.04 1ikj s LEU 57 Ca -0.14 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ikj s LEU 57 Cb -0.17 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1ikj s LEU 57 CO 0.07 0.15 -0.04 -0.47 0.23 0.00 0.00 176.35 176.30 1ikj s TYR 58 N -1.36 0.63 -0.02 0.29 5.04 -0.08 -1.54 117.35 120.31 1ikj s TYR 58 Ca 0.22 -0.15 0.06 0.00 -2.44 0.00 0.00 57.07 54.75 1ikj s TYR 58 Cb -0.10 -0.58 -0.01 0.00 0.35 0.00 0.00 41.96 41.62 1ikj s TYR 58 CO 0.13 -0.16 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.97 1ikj s HIS 59 N 0.86 1.80 -0.17 4.97 3.76 -0.39 -1.63 115.29 124.49 1ikj s HIS 59 Ca -0.11 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.34 1ikj s HIS 59 Cb -0.14 -1.17 0.07 0.00 1.11 0.00 0.00 32.58 32.46 1ikj s HIS 59 CO -0.00 -0.07 0.38 -0.47 -0.85 0.00 0.00 174.74 173.74 1ikj s TYR 60 N -0.35 -0.65 -0.43 1.40 5.04 -0.21 -1.75 117.35 120.40 1ikj s TYR 60 Ca 0.05 1.32 -0.23 0.00 -2.44 0.00 0.00 57.07 55.77 1ikj s TYR 60 Cb -0.09 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.47 1ikj s TYR 60 CO 0.00 -0.40 0.80 0.34 -1.34 0.00 0.00 175.55 174.95 1ikj s ASP 61 N 2.10 6.45 0.24 4.32 -1.08 -0.14 -0.89 116.67 127.66 1ikj s ASP 61 Ca -0.04 0.02 0.23 0.00 -0.52 0.00 0.00 52.55 52.24 1ikj s ASP 61 Cb -0.11 -2.40 0.95 0.00 -1.46 0.00 0.00 42.92 39.91 1ikj s ASP 61 CO -0.12 -0.89 1.70 -0.81 0.52 0.00 0.00 175.17 175.57 1ikj n PRO 62 N 6.71 0.19 -0.09 4.34 -0.04 -1.26 -0.33 135.00 144.51 1ikj n PRO 62 Ca 0.03 0.40 -0.23 0.00 -0.04 0.00 0.00 63.50 63.66 1ikj n PRO 62 Cb 0.48 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 31.98 1ikj n PRO 62 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ikj n LYS 63 N -2.19 0.61 0.09 0.54 4.76 -1.26 -4.54 118.16 116.17 1ikj n LYS 63 Ca 0.02 0.45 0.12 0.00 -2.87 0.00 0.00 58.31 56.03 1ikj n LYS 63 Cb 0.24 -1.69 0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1ikj n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1ikj h THR 64 N -0.76 0.00 0.00 -0.18 1.35 -1.96 -3.48 112.91 107.88 1ikj h THR 64 Ca -0.43 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1ikj h THR 64 Cb 1.52 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1ikj h THR 64 CO -0.19 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.08 1ikj n GLN 65 N -2.53 -0.46 -1.70 4.72 6.02 0.55 -5.00 117.38 118.99 1ikj n GLN 65 Ca 0.01 0.11 -0.57 0.00 -0.01 0.00 0.00 57.00 56.54 1ikj n GLN 65 Cb 0.52 -3.60 -0.07 0.00 1.02 0.00 0.00 30.24 28.11 1ikj n GLN 65 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ikj n ASP 66 N -0.23 2.29 -3.98 1.08 2.03 -1.25 -4.75 116.55 111.73 1ikj n ASP 66 Ca 0.00 1.08 -0.19 0.00 0.52 0.00 0.00 54.79 56.20 1ikj n ASP 66 Cb 0.11 -1.14 -0.15 0.00 -0.72 0.00 0.00 41.12 39.22 1ikj n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ikj s THR 67 N 3.19 0.67 -0.04 5.18 2.01 -1.26 -0.97 115.64 124.41 1ikj s THR 67 Ca 0.97 -0.31 -0.26 0.00 0.31 0.00 0.00 61.69 62.39 1ikj s THR 67 Cb -1.06 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 70.91 1ikj s THR 67 CO 0.64 0.21 0.58 0.72 -0.69 0.00 0.00 174.62 176.07 1ikj s PHE 68 N 0.13 -0.53 0.11 4.92 -0.71 -0.72 -5.02 117.98 116.16 1ikj s PHE 68 Ca -0.02 0.91 0.07 0.00 -1.04 0.00 0.00 56.93 56.85 1ikj s PHE 68 Cb -0.07 0.32 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1ikj s PHE 68 CO 0.00 -0.54 -0.11 0.71 -1.34 0.00 0.00 175.22 173.94 1ikj s TYR 69 N -1.19 2.72 0.06 3.49 1.51 -1.24 -1.26 117.35 121.44 1ikj s TYR 69 Ca -0.11 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1ikj s TYR 69 Cb -0.02 -1.42 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1ikj s TYR 69 CO 0.08 0.43 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.36 1ikj s ASP 70 N -2.23 0.99 -0.03 2.29 1.11 -0.59 -1.52 116.67 116.69 1ikj s ASP 70 Ca 0.21 -0.65 0.05 0.00 0.18 0.00 0.00 52.55 52.35 1ikj s ASP 70 Cb -0.11 0.04 -0.01 0.00 1.07 0.00 0.00 42.92 43.91 1ikj s ASP 70 CO 0.13 -0.24 -0.19 -0.69 1.18 0.00 0.00 175.17 175.36 1ikj s VAL 71 N -1.80 1.56 -0.01 -1.27 1.01 -0.38 -0.63 120.40 118.88 1ikj s VAL 71 Ca -0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1ikj s VAL 71 Cb -0.07 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 1ikj s VAL 71 CO -0.00 0.44 -0.06 -0.44 0.00 0.00 0.00 175.10 175.04 1ikj s SER 72 N -0.22 0.71 -0.14 3.32 0.01 -0.31 -1.15 113.70 115.92 1ikj s SER 72 Ca 0.02 -0.11 -0.18 0.00 1.31 0.00 0.00 55.95 56.99 1ikj s SER 72 Cb -0.10 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1ikj s SER 72 CO 0.01 0.06 0.49 -1.61 0.41 0.00 0.00 173.24 172.60 1ikj s GLU 73 N -0.07 4.30 -0.08 12.44 2.02 -1.26 -1.77 118.70 134.28 1ikj s GLU 73 Ca 0.01 0.43 -0.14 0.00 0.02 0.00 0.00 54.97 55.29 1ikj s GLU 73 Cb -0.03 -3.47 -0.05 0.00 0.10 0.00 0.00 34.13 30.68 1ikj s GLU 73 CO -0.00 0.07 0.36 -0.51 0.02 0.00 0.00 175.26 175.20 1ikj s LEU 74 N 0.91 4.35 -0.01 1.80 1.02 -0.10 -3.10 118.68 123.55 1ikj s LEU 74 Ca 0.25 0.75 -0.02 0.00 0.02 0.00 0.00 54.13 55.13 1ikj s LEU 74 Cb -0.15 -2.50 -0.04 0.00 0.02 0.00 0.00 46.19 43.52 1ikj s LEU 74 CO 0.10 0.20 0.12 -1.10 0.02 0.00 0.00 176.35 175.68 1ikj s GLN 75 N -0.24 3.21 -0.15 1.70 -1.52 0.04 -4.59 119.66 118.11 1ikj s GLN 75 Ca 0.21 -0.41 -0.22 0.00 -1.95 0.00 0.00 55.36 52.99 1ikj s GLN 75 Cb -0.15 -2.95 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 1ikj s GLN 75 CO 0.09 0.66 0.68 0.08 -0.25 0.00 0.00 175.29 176.55 1ikj s VAL 76 N -1.23 5.01 -0.19 1.09 1.01 -1.26 -1.32 120.40 123.51 1ikj s VAL 76 Ca 0.24 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 1ikj s VAL 76 Cb -0.12 -4.00 -0.21 0.00 0.00 0.00 0.00 36.38 32.04 1ikj s VAL 76 CO 0.15 0.14 0.07 -0.62 0.00 0.00 0.00 175.10 174.84 1ikj n GLU 77 N 4.68 0.70 -3.83 2.72 -0.58 -0.22 -4.94 120.64 119.16 1ikj n GLU 77 Ca -0.00 0.23 -0.04 0.00 -0.42 0.00 0.00 57.16 56.93 1ikj n GLU 77 Cb 0.50 -1.62 0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1ikj n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ikj s SER 78 N -6.84 -0.06 0.07 1.62 1.04 -1.03 -5.02 113.70 103.49 1ikj s SER 78 Ca -0.29 -0.63 -0.31 0.00 0.48 0.00 0.00 55.95 55.20 1ikj s SER 78 Cb 0.08 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 1ikj s SER 78 CO 0.68 -1.05 1.68 -0.22 0.98 0.00 0.00 173.24 175.30 1ikj s LEU 79 N -3.19 4.37 0.00 2.42 2.96 -1.26 -1.46 118.68 122.52 1ikj s LEU 79 Ca 0.17 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1ikj s LEU 79 Cb -0.02 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1ikj s LEU 79 CO 0.05 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 174.79 1ikj n GLY 80 N 4.03 0.45 2.86 7.98 0.00 -1.26 -4.78 105.19 114.46 1ikj n GLY 80 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1ikj n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ikj s LYS 81 N -0.22 1.01 0.10 1.61 2.20 -0.53 -1.03 119.74 122.88 1ikj s LYS 81 Ca 0.00 -0.08 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1ikj s LYS 81 Cb 0.00 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 1ikj s LYS 81 CO 0.00 -0.22 -0.09 0.71 -0.36 0.00 0.00 175.35 175.38 1ikj s TYR 82 N 1.58 1.05 -0.12 4.03 2.02 -0.16 -1.06 117.35 124.70 1ikj s TYR 82 Ca 0.00 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.02 1ikj s TYR 82 Cb -0.13 -0.57 -0.00 0.00 -0.40 0.00 0.00 41.96 40.86 1ikj s TYR 82 CO -0.04 -0.02 -0.21 0.99 -1.57 0.00 0.00 175.55 174.70 1ikj s THR 83 N -2.74 2.25 -0.18 -0.71 2.01 -0.43 -0.94 115.64 114.90 1ikj s THR 83 Ca 0.08 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.14 1ikj s THR 83 Cb -0.01 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1ikj s THR 83 CO -0.01 0.55 -0.18 0.00 -0.69 0.00 0.00 174.62 174.29 1ikj s ALA 84 N 0.47 2.26 1.07 7.40 0.00 0.31 -0.78 121.76 132.49 1ikj s ALA 84 Ca -0.15 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.49 1ikj s ALA 84 Cb -0.17 -1.18 0.23 0.00 0.00 0.00 0.00 23.12 22.00 1ikj s ALA 84 CO 0.06 -0.41 1.07 0.54 0.00 0.00 0.00 175.76 177.01 1ikj s ASN 85 N 1.31 1.89 0.00 0.00 2.20 -1.18 -0.92 114.94 118.25 1ikj s ASN 85 Ca 0.04 1.29 -0.11 0.00 -0.94 0.00 0.00 52.86 53.14 1ikj s ASN 85 Cb -0.13 -2.01 0.01 0.00 -2.00 0.00 0.00 41.25 37.12 1ikj s ASN 85 CO -0.12 -3.60 0.23 0.72 -2.94 0.00 0.00 177.10 171.39 1ikj s PHE 86 N -2.77 -0.07 -0.05 1.54 -0.12 -1.20 -4.25 117.98 111.07 1ikj s PHE 86 Ca 0.67 0.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.64 1ikj s PHE 86 Cb -0.21 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 1ikj s PHE 86 CO 0.60 -0.36 -0.23 -1.59 -0.05 0.00 0.00 175.22 173.59 1ikj s LYS 87 N -1.55 2.35 0.05 1.99 -2.85 -0.30 -4.20 119.74 115.23 1ikj s LYS 87 Ca -0.13 -0.84 -0.29 0.00 -1.00 0.00 0.00 55.97 53.72 1ikj s LYS 87 Cb -0.05 -2.01 -0.05 0.00 -2.06 0.00 0.00 37.83 33.66 1ikj s LYS 87 CO 0.02 0.36 0.92 0.21 0.10 0.00 0.00 175.35 176.96 1ikj s LYS 88 N -0.14 4.61 0.10 1.78 2.20 -0.60 -1.25 119.74 126.44 1ikj s LYS 88 Ca -0.03 1.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.95 1ikj s LYS 88 Cb -0.13 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1ikj s LYS 88 CO 0.03 0.12 -0.07 0.14 -0.36 0.00 0.00 175.35 175.22 1ikj s VAL 89 N 0.38 0.73 1.03 4.02 -7.23 -0.58 -0.25 120.40 118.51 1ikj s VAL 89 Ca 0.47 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.53 1ikj s VAL 89 Cb -0.22 -1.69 0.24 0.00 0.56 0.00 0.00 36.38 35.27 1ikj s VAL 89 CO 0.27 -0.86 1.31 1.51 -0.31 0.00 0.00 175.10 177.02 1ikj s ASP 90 N -3.04 2.48 0.53 4.85 1.47 -0.53 -3.62 116.67 118.81 1ikj s ASP 90 Ca 0.12 0.24 0.36 0.00 1.18 0.00 0.00 52.55 54.45 1ikj s ASP 90 Cb 0.05 -0.24 1.75 0.00 -0.34 0.00 0.00 42.92 44.15 1ikj s ASP 90 CO -0.04 -3.13 2.07 0.07 0.68 0.00 0.00 175.17 174.82 1ikj h LYS 91 N -1.92 0.00 -0.24 2.11 2.10 -1.96 -1.03 116.57 115.64 1ikj h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1ikj h LYS 91 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1ikj h LYS 91 CO 0.32 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.86 1ikj n ASN 92 N -2.87 2.58 0.00 7.07 3.02 -1.26 -4.78 115.26 119.03 1ikj n ASN 92 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1ikj n ASN 92 Cb 0.16 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1ikj n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ikj n GLY 93 N 1.32 0.73 3.73 7.41 0.00 -0.39 -5.00 105.19 112.99 1ikj n GLY 93 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ikj n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ikj s ASN 94 N -2.71 7.18 -0.01 1.61 0.01 -1.26 -4.78 114.94 114.97 1ikj s ASN 94 Ca 0.00 2.09 -0.30 0.00 -0.71 0.00 0.00 52.86 53.94 1ikj s ASN 94 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1ikj s ASN 94 CO 0.00 -0.32 1.18 -0.69 -1.51 0.00 0.00 177.10 175.75 1ikj s VAL 95 N 0.17 4.25 -0.24 1.60 1.01 -1.26 -1.45 120.40 124.48 1ikj s VAL 95 Ca 0.53 1.59 0.04 0.00 0.00 0.00 0.00 61.98 64.14 1ikj s VAL 95 Cb -0.30 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 31.89 1ikj s VAL 95 CO 0.34 0.05 -0.18 0.29 0.00 0.00 0.00 175.10 175.60 1ikj n LYS 96 N 4.64 0.65 -3.70 2.72 5.02 0.66 -4.93 118.16 123.21 1ikj n LYS 96 Ca 0.10 0.12 -0.23 0.00 -2.02 0.00 0.00 58.31 56.27 1ikj n LYS 96 Cb 0.47 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.81 1ikj n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ikj s VAL 97 N -2.49 0.14 0.83 -0.18 1.01 -0.92 -4.98 120.40 113.81 1ikj s VAL 97 Ca -0.30 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1ikj s VAL 97 Cb 0.08 -0.49 0.09 0.00 0.00 0.00 0.00 36.38 36.05 1ikj s VAL 97 CO 0.60 0.04 1.09 0.00 0.00 0.00 0.00 175.10 176.83 1ikj s ALA 98 N 2.06 1.96 0.34 5.51 0.00 -1.26 -1.56 121.76 128.81 1ikj s ALA 98 Ca 0.03 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 1ikj s ALA 98 Cb -0.14 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1ikj s ALA 98 CO -0.06 -1.99 1.28 0.28 0.00 0.00 0.00 175.76 175.26 1ikj n VAL 99 N -3.65 2.02 -3.75 0.00 0.31 -1.26 -4.80 118.33 107.20 1ikj n VAL 99 Ca 0.08 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.78 1ikj n VAL 99 Cb 0.54 -1.54 -0.12 0.00 -0.91 0.00 0.00 33.84 31.81 1ikj n VAL 99 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ikj s THR 100 N -1.10 -0.02 0.34 2.52 2.01 -1.26 -5.07 115.64 113.06 1ikj s THR 100 Ca 0.56 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 62.33 1ikj s THR 100 Cb -0.57 -0.42 -0.12 0.00 0.01 0.00 0.00 72.50 71.40 1ikj s THR 100 CO 0.62 0.02 1.30 0.00 -0.69 0.00 0.00 174.62 175.88 1ikj n ALA 101 N 3.51 1.34 0.00 7.40 0.00 -1.26 -1.32 120.51 130.18 1ikj n ALA 101 Ca -0.18 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ikj n ALA 101 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ikj n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ikj n GLY 102 N 0.82 3.47 3.29 0.00 0.00 -1.26 -4.95 105.19 106.56 1ikj n GLY 102 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1ikj n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ikj s ASN 103 N -1.00 6.26 0.13 1.61 -0.87 -0.43 -3.79 114.94 116.84 1ikj s ASN 103 Ca 0.00 -2.16 -0.15 0.00 -1.57 0.00 0.00 52.86 48.98 1ikj s ASN 103 Cb 0.00 -2.16 0.03 0.00 -0.02 0.00 0.00 41.25 39.09 1ikj s ASN 103 CO 0.00 -0.72 0.38 -0.72 -2.57 0.00 0.00 177.10 173.47 1ikj s TYR 104 N 1.01 -0.13 0.03 2.20 1.13 -0.73 -3.21 117.35 117.65 1ikj s TYR 104 Ca 0.09 -0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.59 1ikj s TYR 104 Cb -0.22 0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1ikj s TYR 104 CO -0.02 -0.70 -0.16 1.52 -2.51 0.00 0.00 175.55 173.68 1ikj s TYR 105 N -3.82 1.40 0.41 -3.49 1.13 -0.09 -0.41 117.35 112.48 1ikj s TYR 105 Ca 0.04 -0.34 -0.14 0.00 -1.41 0.00 0.00 57.07 55.23 1ikj s TYR 105 Cb 0.02 -0.84 -0.08 0.00 -1.10 0.00 0.00 41.96 39.96 1ikj s TYR 105 CO -0.11 0.04 0.83 0.95 -2.51 0.00 0.00 175.55 174.75 1ikj s THR 106 N -0.74 4.67 -0.10 -3.49 -4.23 -0.52 -0.53 115.64 110.70 1ikj s THR 106 Ca 0.04 0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 61.43 1ikj s THR 106 Cb -0.08 -3.69 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1ikj s THR 106 CO 0.01 -0.47 0.18 0.12 -0.54 0.00 0.00 174.62 173.92 1ikj s PHE 107 N -2.33 -0.21 -0.11 3.99 5.36 -0.11 -2.80 117.98 121.77 1ikj s PHE 107 Ca 0.55 0.62 0.02 0.00 -0.96 0.00 0.00 56.93 57.15 1ikj s PHE 107 Cb -0.10 -0.25 0.01 0.00 -0.34 0.00 0.00 43.02 42.35 1ikj s PHE 107 CO 0.27 -0.31 -0.16 0.99 -1.46 0.00 0.00 175.22 174.54 1ikj s THR 108 N 2.31 1.57 -0.55 0.12 2.01 -0.16 -0.99 115.64 119.95 1ikj s THR 108 Ca 0.03 -0.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1ikj s THR 108 Cb -0.12 -1.42 0.06 0.00 0.01 0.00 0.00 72.50 71.02 1ikj s THR 108 CO -0.07 0.45 0.78 -0.69 -0.69 0.00 0.00 174.62 174.41 1ikj s VAL 109 N 0.91 4.64 -0.01 3.82 1.01 -0.20 -1.25 120.40 129.32 1ikj s VAL 109 Ca -0.08 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.76 1ikj s VAL 109 Cb -0.15 -4.44 -0.12 0.00 0.00 0.00 0.00 36.38 31.67 1ikj s VAL 109 CO -0.01 -1.01 1.22 0.24 0.00 0.00 0.00 175.10 175.54 1ikj h MET 110 N 9.18 0.00 -2.41 2.72 2.86 -1.12 -0.69 114.93 125.47 1ikj h MET 110 Ca -0.27 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.28 1ikj h MET 110 Cb 1.08 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.53 1ikj h MET 110 CO 1.04 0.72 -0.03 -0.47 1.06 0.00 0.00 176.91 179.23 1ikj s TYR 111 N -2.80 -0.53 -0.14 -0.22 5.04 -1.09 -3.08 117.35 114.53 1ikj s TYR 111 Ca 0.01 1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 55.48 1ikj s TYR 111 Cb 0.09 0.24 0.08 0.00 0.35 0.00 0.00 41.96 42.72 1ikj s TYR 111 CO 0.80 -0.41 0.73 0.00 -1.34 0.00 0.00 175.55 175.32 1ikj s ALA 112 N -0.49 -1.79 0.00 3.97 0.00 -1.26 -1.21 121.76 120.98 1ikj s ALA 112 Ca -0.06 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1ikj s ALA 112 Cb -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1ikj s ALA 112 CO 0.04 -0.35 0.00 -0.40 0.00 0.00 0.00 175.76 175.05 1ikj n ASP 113 N 1.55 0.60 0.24 0.00 5.68 0.02 -4.96 116.55 119.68 1ikj n ASP 113 Ca -0.17 -0.29 0.12 0.00 -0.50 0.00 0.00 54.79 53.96 1ikj n ASP 113 Cb 0.56 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.12 1ikj n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ikj h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.32 116.42 113.28 1ikj h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ikj h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ikj h ASP 114 CO 0.00 0.16 -0.97 -1.20 -1.72 0.00 0.00 179.24 175.50 1ikj n SER 115 N -3.39 3.37 -3.91 6.45 7.64 -1.26 -4.86 113.62 117.67 1ikj n SER 115 Ca -0.00 -0.11 -0.09 0.00 1.01 0.00 0.00 58.87 59.67 1ikj n SER 115 Cb 0.35 1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 64.60 1ikj n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ikj s SER 116 N -2.21 0.15 0.11 6.43 1.04 -1.25 -1.03 113.70 116.94 1ikj s SER 116 Ca -0.01 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 55.66 1ikj s SER 116 Cb 0.02 0.26 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1ikj s SER 116 CO 0.15 -0.57 0.54 0.00 0.98 0.00 0.00 173.24 174.34 1ikj s ALA 117 N -2.93 -1.39 -0.11 5.32 0.00 -0.84 -0.80 121.76 121.01 1ikj s ALA 117 Ca -0.02 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.40 1ikj s ALA 117 Cb 0.01 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1ikj s ALA 117 CO -0.06 -0.65 -0.15 -1.17 0.00 0.00 0.00 175.76 173.73 1ikj s LEU 118 N -2.46 1.71 0.21 0.00 2.96 -0.35 -0.49 118.68 120.27 1ikj s LEU 118 Ca -0.01 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1ikj s LEU 118 Cb -0.00 -1.09 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 1ikj s LEU 118 CO -0.08 0.01 -0.17 0.27 -1.32 0.00 0.00 176.35 175.05 1ikj s ILE 119 N 1.05 1.95 -0.01 6.68 -5.25 -0.42 -0.72 121.20 124.48 1ikj s ILE 119 Ca -0.05 -2.20 0.08 0.00 -0.99 0.00 0.00 60.65 57.49 1ikj s ILE 119 Cb -0.15 -2.07 -0.02 0.00 2.95 0.00 0.00 42.46 43.18 1ikj s ILE 119 CO -0.03 -0.48 -0.26 -2.28 -1.79 0.00 0.00 174.94 170.11 1ikj s HIS 120 N -2.64 2.34 -0.00 1.37 5.65 -0.38 -1.29 115.29 120.33 1ikj s HIS 120 Ca 0.23 -0.42 0.01 0.00 0.25 0.00 0.00 55.06 55.13 1ikj s HIS 120 Cb -0.03 -1.48 -0.00 0.00 -1.18 0.00 0.00 32.58 29.88 1ikj s HIS 120 CO 0.09 0.00 -0.04 -0.08 -0.65 0.00 0.00 174.74 174.06 1ikj s THR 121 N -0.66 0.36 -0.36 0.89 -1.32 0.08 -0.99 115.64 113.64 1ikj s THR 121 Ca 0.10 -0.19 -0.05 0.00 -1.21 0.00 0.00 61.69 60.35 1ikj s THR 121 Cb -0.10 -0.31 0.07 0.00 -1.51 0.00 0.00 72.50 70.65 1ikj s THR 121 CO -0.00 0.10 0.13 0.00 -2.21 0.00 0.00 174.62 172.64 1ikj s LEU 123 N 1.30 4.32 -0.14 0.00 2.96 -1.26 -1.44 118.68 124.42 1ikj s LEU 123 Ca 0.01 1.16 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 1ikj s LEU 123 Cb -0.21 -3.05 0.01 0.00 0.50 0.00 0.00 46.19 43.44 1ikj s LEU 123 CO -0.00 -0.10 -0.22 -1.00 -1.32 0.00 0.00 176.35 173.72 1ikj s HIS 124 N 0.73 2.67 -0.22 5.38 3.76 0.45 -4.54 115.29 123.52 1ikj s HIS 124 Ca 0.36 -1.29 -0.03 0.00 -0.15 0.00 0.00 55.06 53.95 1ikj s HIS 124 Cb -0.18 -1.81 0.11 0.00 1.11 0.00 0.00 32.58 31.82 1ikj s HIS 124 CO 0.18 -0.58 0.30 0.21 -0.85 0.00 0.00 174.74 173.99 1ikj s LYS 125 N 0.76 0.27 4.96 1.40 2.20 -1.25 -1.78 119.74 126.30 1ikj s LYS 125 Ca -0.08 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.89 1ikj s LYS 125 Cb -0.16 -0.87 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 1ikj s LYS 125 CO -0.01 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.74 1ikj n GLY 126 N 5.34 2.77 1.81 5.54 0.00 -1.25 -2.01 105.19 117.39 1ikj n GLY 126 Ca -0.05 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1ikj n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ikj n ASN 127 N 1.10 3.72 0.13 1.61 2.04 -1.26 -4.82 115.26 117.78 1ikj n ASN 127 Ca 0.00 -3.06 0.05 0.00 -0.44 0.00 0.00 54.58 51.13 1ikj n ASN 127 Cb 0.00 -0.72 0.03 0.00 -2.53 0.00 0.00 39.78 36.56 1ikj n ASN 127 CO 0.00 0.00 0.00 0.11 -0.44 0.00 0.00 177.26 176.93 1ikj h LYS 128 N 1.16 0.00 -5.72 -3.83 1.57 -1.83 -3.49 116.57 104.43 1ikj h LYS 128 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1ikj h LYS 128 Cb 2.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.50 1ikj h LYS 128 CO 0.71 0.31 -0.99 -3.47 -0.57 0.00 0.00 179.45 175.44 1ikj n ASP 129 N -3.09 -7.20 -4.63 0.86 2.03 -1.26 -5.02 116.55 98.24 1ikj n ASP 129 Ca 0.00 0.96 -0.28 0.00 0.52 0.00 0.00 54.79 55.99 1ikj n ASP 129 Cb 0.69 -3.56 -0.11 0.00 -0.72 0.00 0.00 41.12 37.43 1ikj n ASP 129 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ikj s LEU 130 N -1.29 2.82 0.46 -2.67 1.43 -1.26 -4.52 118.68 113.64 1ikj s LEU 130 Ca -0.01 -1.39 0.05 0.00 -1.03 0.00 0.00 54.13 51.75 1ikj s LEU 130 Cb 0.00 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1ikj s LEU 130 CO 0.41 -0.48 0.12 -0.83 0.23 0.00 0.00 176.35 175.80 1ikj s GLY 131 N -3.72 2.58 0.22 -3.19 0.00 -1.26 -1.24 107.32 100.72 1ikj s GLY 131 Ca 0.33 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.19 1ikj s GLY 131 CO 0.17 -2.05 1.38 0.99 0.00 0.00 0.00 173.10 173.59 1ikj s ASP 132 N -3.90 6.77 -0.12 1.64 1.01 -1.26 -4.50 116.67 116.32 1ikj s ASP 132 Ca 0.29 2.53 0.02 0.00 0.71 0.00 0.00 52.55 56.10 1ikj s ASP 132 Cb 0.04 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.37 1ikj s ASP 132 CO 0.16 -0.62 -0.19 -0.22 0.21 0.00 0.00 175.17 174.51 1ikj s LEU 133 N -0.15 1.91 -0.05 1.23 0.20 -0.67 -0.96 118.68 120.19 1ikj s LEU 133 Ca 0.59 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.88 1ikj s LEU 133 Cb -0.39 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1ikj s LEU 133 CO 0.40 0.06 0.06 -0.31 -0.29 0.00 0.00 176.35 176.27 1ikj s TYR 134 N 0.83 3.27 -0.02 5.38 2.02 0.34 -0.74 117.35 128.43 1ikj s TYR 134 Ca -0.09 0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 1ikj s TYR 134 Cb -0.16 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1ikj s TYR 134 CO -0.00 0.55 0.00 0.00 -1.57 0.00 0.00 175.55 174.53 1ikj s ALA 135 N -1.06 0.16 -0.18 3.71 0.00 -0.41 -0.89 121.76 123.09 1ikj s ALA 135 Ca 0.18 0.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1ikj s ALA 135 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1ikj s ALA 135 CO 0.08 -0.04 0.49 0.08 0.00 0.00 0.00 175.76 176.37 1ikj s VAL 136 N 0.63 5.14 0.13 0.00 1.01 -0.14 -1.30 120.40 125.88 1ikj s VAL 136 Ca -0.06 0.91 0.08 0.00 0.00 0.00 0.00 61.98 62.92 1ikj s VAL 136 Cb -0.08 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1ikj s VAL 136 CO -0.01 0.23 -0.12 -0.76 0.00 0.00 0.00 175.10 174.44 1ikj s LEU 137 N 1.31 2.93 0.03 3.92 1.43 0.36 -0.72 118.68 127.94 1ikj s LEU 137 Ca 0.24 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1ikj s LEU 137 Cb -0.15 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1ikj s LEU 137 CO 0.09 0.15 0.03 0.21 0.23 0.00 0.00 176.35 177.07 1ikj s ASN 138 N -2.39 0.22 0.42 2.29 3.84 -0.17 -1.98 114.94 117.17 1ikj s ASN 138 Ca 0.22 -0.53 0.21 0.00 0.21 0.00 0.00 52.86 52.96 1ikj s ASN 138 Cb -0.10 0.17 0.89 0.00 -0.55 0.00 0.00 41.25 41.66 1ikj s ASN 138 CO 0.13 -0.41 1.83 0.03 -2.79 0.00 0.00 177.10 175.89 1ikj h ARG 139 N 4.10 0.00 -5.01 0.43 2.47 -1.34 -0.55 114.38 114.49 1ikj h ARG 139 Ca -0.32 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.76 1ikj h ARG 139 Cb 1.19 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.31 1ikj h ARG 139 CO 0.47 0.29 -0.58 1.21 0.56 0.00 0.00 179.97 181.92 1ikj s ASN 140 N -6.40 5.47 0.60 7.04 2.47 -1.26 -4.81 114.94 118.04 1ikj s ASN 140 Ca -0.01 -0.10 0.38 0.00 0.42 0.00 0.00 52.86 53.55 1ikj s ASN 140 Cb 0.12 -1.98 1.82 0.00 -1.45 0.00 0.00 41.25 39.76 1ikj s ASN 140 CO 0.66 0.01 2.16 0.07 -3.72 0.00 0.00 177.10 176.27 1ikj h LYS 141 N 7.95 0.00 -0.40 0.43 2.10 -1.94 -2.14 116.57 122.56 1ikj h LYS 141 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1ikj h LYS 141 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1ikj h LYS 141 CO 0.60 0.01 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1ikj n ASP 142 N -3.14 3.39 -4.68 7.07 8.00 -1.26 -4.91 116.55 121.01 1ikj n ASP 142 Ca -0.01 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.10 1ikj n ASP 142 Cb 0.20 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.01 1ikj n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ikj s ALA 143 N -1.35 3.57 0.50 2.24 0.00 -0.81 -5.01 121.76 120.91 1ikj s ALA 143 Ca 0.37 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.90 1ikj s ALA 143 Cb 0.21 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1ikj s ALA 143 CO 0.29 -0.92 1.26 0.00 0.00 0.00 0.00 175.76 176.39 1ikj s ALA 144 N 2.52 2.89 0.08 0.00 0.00 -1.26 -4.94 121.76 121.05 1ikj s ALA 144 Ca 0.62 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.40 1ikj s ALA 144 Cb -0.29 -3.47 -0.08 0.00 0.00 0.00 0.00 23.12 19.27 1ikj s ALA 144 CO 0.25 -1.02 1.61 0.00 0.00 0.00 0.00 175.76 176.60 1ikj s ALA 145 N -1.43 3.68 0.87 0.00 0.00 -1.26 -4.99 121.76 118.64 1ikj s ALA 145 Ca 0.68 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.72 1ikj s ALA 145 Cb -0.34 -3.67 0.16 0.00 0.00 0.00 0.00 23.12 19.26 1ikj s ALA 145 CO 0.41 -1.04 1.21 0.20 0.00 0.00 0.00 175.76 176.55 1ikj s GLY 146 N 2.17 1.75 0.33 0.00 0.00 -1.26 -4.87 107.32 105.45 1ikj s GLY 146 Ca 0.72 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 44.28 1ikj s GLY 146 CO 0.32 -0.56 1.81 -0.55 0.00 0.00 0.00 173.10 174.11 1ikj h ASP 147 N -1.26 0.31 0.28 1.64 3.45 -1.98 -1.23 116.42 117.63 1ikj h ASP 147 Ca -0.43 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 56.93 1ikj h ASP 147 Cb 1.26 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 1ikj h ASP 147 CO 0.43 0.54 -0.13 0.50 -1.57 0.00 0.00 179.24 179.01 1ikj h LYS 148 N 0.29 -0.36 -0.11 3.56 3.64 -1.99 0.10 116.57 121.70 1ikj h LYS 148 Ca 0.05 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 1ikj h LYS 148 Cb 0.55 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1ikj h LYS 148 CO 0.04 -0.21 -0.54 -0.24 -2.27 0.00 0.00 179.45 176.23 1ikj h VAL 149 N -0.41 1.35 -0.40 2.00 3.04 -1.94 -2.24 116.25 117.66 1ikj h VAL 149 Ca -0.04 -1.81 -0.08 0.00 -1.01 0.00 0.00 66.70 63.76 1ikj h VAL 149 Cb 0.31 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.43 1ikj h VAL 149 CO 0.06 0.54 -0.09 0.11 -1.01 0.00 0.00 177.57 177.19 1ikj h LYS 150 N 0.25 0.69 -0.83 4.17 1.57 -1.12 -0.99 116.57 120.30 1ikj h LYS 150 Ca 0.01 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 1ikj h LYS 150 Cb 1.02 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.23 1ikj h LYS 150 CO 0.09 0.77 0.39 0.77 -0.57 0.00 0.00 179.45 180.89 1ikj h SER 151 N 0.63 1.09 -0.71 0.86 0.02 -0.63 -1.64 113.55 113.16 1ikj h SER 151 Ca 0.11 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1ikj h SER 151 Cb 0.53 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1ikj h SER 151 CO 0.03 0.92 0.34 0.00 -1.14 0.00 0.00 176.83 176.98 1ikj h ALA 152 N 1.24 1.22 -0.28 3.77 0.00 -0.81 0.18 119.26 124.59 1ikj h ALA 152 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ikj h ALA 152 Cb 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ikj h ALA 152 CO -0.03 0.59 0.17 0.28 0.00 0.00 0.00 179.25 180.26 1ikj h VAL 153 N 1.04 1.10 -0.93 0.00 2.07 -0.59 -1.80 116.25 117.13 1ikj h VAL 153 Ca 0.25 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1ikj h VAL 153 Cb 0.12 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1ikj h VAL 153 CO -0.03 0.09 0.54 -1.28 0.02 0.00 0.00 177.57 176.91 1ikj h SER 154 N 0.36 1.14 0.38 0.57 0.87 -0.68 -2.38 113.55 113.82 1ikj h SER 154 Ca 0.10 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1ikj h SER 154 Cb 0.00 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1ikj h SER 154 CO -0.02 0.89 -0.12 0.00 -0.53 0.00 0.00 176.83 177.06 1ikj h ALA 155 N 1.30 1.27 -0.09 6.23 0.00 -0.18 0.23 119.26 128.02 1ikj h ALA 155 Ca 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ikj h ALA 155 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ikj h ALA 155 CO -0.06 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.34 1ikj n ALA 156 N -2.27 2.52 -3.48 0.00 0.00 -0.72 -4.91 120.51 111.65 1ikj n ALA 156 Ca -0.02 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 1ikj n ALA 156 Cb 0.24 -1.09 0.07 0.00 0.00 0.00 0.00 19.45 18.67 1ikj n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ikj n THR 157 N -0.29 -2.77 -4.45 0.00 -1.04 0.07 -5.03 114.28 100.77 1ikj n THR 157 Ca 0.08 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.83 1ikj n THR 157 Cb 0.12 -3.77 -0.10 0.00 -1.82 0.00 0.00 70.33 64.76 1ikj n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ikj s LEU 158 N -6.63 2.75 -0.25 -4.42 1.43 -0.94 -5.04 118.68 105.59 1ikj s LEU 158 Ca 0.51 -1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1ikj s LEU 158 Cb -0.23 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1ikj s LEU 158 CO 0.65 -0.08 -0.04 -1.61 0.23 0.00 0.00 176.35 175.51 1ikj s GLU 159 N -3.59 3.01 0.55 1.70 0.41 -1.26 -3.65 118.70 115.87 1ikj s GLU 159 Ca 0.32 -0.87 0.25 0.00 -0.41 0.00 0.00 54.97 54.25 1ikj s GLU 159 Cb -0.02 -3.04 1.46 0.00 -1.78 0.00 0.00 34.13 30.74 1ikj s GLU 159 CO 0.17 -0.35 2.06 0.35 -0.49 0.00 0.00 175.26 176.99 1ikj h PHE 160 N 8.07 0.00 0.00 1.61 3.57 -1.90 -0.61 116.94 127.68 1ikj h PHE 160 Ca -0.35 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1ikj h PHE 160 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1ikj h PHE 160 CO 0.58 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 177.32 1ikj h SER 161 N 0.00 0.00 0.61 0.41 4.64 -2.01 -0.50 113.55 116.70 1ikj h SER 161 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ikj h SER 161 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1ikj h SER 161 CO -0.00 0.00 -0.79 0.29 -0.87 0.00 0.00 176.83 175.45 1ikj n LYS 162 N -2.95 0.25 -2.15 4.77 5.02 -0.24 -4.90 118.16 117.96 1ikj n LYS 162 Ca -0.02 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 1ikj n LYS 162 Cb 0.10 -1.62 -0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1ikj n LYS 162 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ikj s PHE 163 N -3.15 2.82 -0.19 2.13 0.40 -0.20 -4.91 117.98 114.87 1ikj s PHE 163 Ca 0.06 1.49 -0.15 0.00 -0.60 0.00 0.00 56.93 57.73 1ikj s PHE 163 Cb 0.14 -3.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.12 1ikj s PHE 163 CO 0.76 -1.80 0.34 0.42 0.70 0.00 0.00 175.22 175.64 1ikj s ILE 164 N -1.42 5.25 0.41 0.64 1.01 0.55 -4.84 121.20 122.80 1ikj s ILE 164 Ca 0.62 0.60 -0.22 0.00 0.00 0.00 0.00 60.65 61.64 1ikj s ILE 164 Cb -0.33 -3.67 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 1ikj s ILE 164 CO 0.41 0.30 0.97 -0.55 0.00 0.00 0.00 174.94 176.07 1ikj s SER 165 N 0.88 6.93 0.00 3.58 0.15 -1.26 -1.03 113.70 122.95 1ikj s SER 165 Ca 0.17 1.78 0.25 0.00 0.70 0.00 0.00 55.95 58.85 1ikj s SER 165 Cb -0.14 -2.55 0.47 0.00 -1.71 0.00 0.00 66.02 62.08 1ikj s SER 165 CO 0.06 -0.37 1.41 0.35 1.20 0.00 0.00 173.24 175.90 1ikj n THR 166 N -0.38 0.00 0.15 6.45 -2.24 -0.19 -4.68 114.28 113.39 1ikj n THR 166 Ca 0.06 -0.37 0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1ikj n THR 166 Cb 0.53 1.08 0.08 0.00 -2.10 0.00 0.00 70.33 69.91 1ikj n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ikj h LYS 167 N 3.44 0.00 -0.65 -0.78 2.10 -1.90 -3.04 116.57 115.74 1ikj h LYS 167 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ikj h LYS 167 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 1ikj h LYS 167 CO 0.00 0.44 0.00 0.39 -2.00 0.00 0.00 179.45 178.28 1ikj n GLU 168 N -3.24 4.18 -0.17 0.07 1.02 -1.26 -4.35 120.64 116.88 1ikj n GLU 168 Ca 0.02 -2.61 0.09 0.00 -0.02 0.00 0.00 57.16 54.64 1ikj n GLU 168 Cb 0.69 -2.11 0.18 0.00 -0.02 0.00 0.00 31.44 30.19 1ikj n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ikj n ASN 169 N 0.56 3.16 -3.20 1.62 3.02 -1.15 -4.97 115.26 114.30 1ikj n ASN 169 Ca 0.23 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.64 1ikj n ASN 169 Cb 1.02 -0.23 0.01 0.00 -0.61 0.00 0.00 39.78 39.97 1ikj n ASN 169 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ikj n ASN 170 N 1.16 -4.78 -4.80 6.41 5.03 -1.26 -4.90 115.26 112.11 1ikj n ASN 170 Ca 0.16 -0.34 -0.35 0.00 0.87 0.00 0.00 54.58 54.92 1ikj n ASN 170 Cb 0.52 -3.91 -0.07 0.00 -1.02 0.00 0.00 39.78 35.31 1ikj n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ikj s ALA 172 N -1.84 1.56 0.13 0.00 0.00 -1.26 -5.15 121.76 115.20 1ikj s ALA 172 Ca 0.54 -0.78 0.10 0.00 0.00 0.00 0.00 51.96 51.83 1ikj s ALA 172 Cb -0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1ikj s ALA 172 CO 0.19 0.35 -0.25 0.71 0.00 0.00 0.00 175.76 176.77 1ikj s TYR 173 N -0.31 2.37 -0.79 0.00 2.02 -1.26 -5.07 117.35 114.31 1ikj s TYR 173 Ca 0.04 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.28 1ikj s TYR 173 Cb -0.08 -1.27 0.21 0.00 -0.40 0.00 0.00 41.96 40.41 1ikj s TYR 173 CO 0.00 0.36 0.70 0.34 -1.57 0.00 0.00 175.55 175.38 1ikj s ASP 174 N -2.10 6.40 0.36 2.29 -1.08 -1.26 -4.88 116.67 116.41 1ikj s ASP 174 Ca 0.15 -2.77 0.07 0.00 -0.52 0.00 0.00 52.55 49.48 1ikj s ASP 174 Cb -0.10 -2.12 0.70 0.00 -1.46 0.00 0.00 42.92 39.94 1ikj s ASP 174 CO 0.07 -0.51 1.90 0.78 0.52 0.00 0.00 175.17 177.93 1ikj h ASN 175 N 7.54 0.35 -0.51 -0.34 4.21 -2.00 -2.35 115.58 122.50 1ikj h ASN 175 Ca 0.08 -0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 1ikj h ASN 175 Cb 1.01 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.10 1ikj h ASN 175 CO 0.75 0.46 0.24 0.44 -1.29 0.00 0.00 177.43 178.03 1ikj h ASP 176 N 0.36 0.66 -0.54 5.81 3.32 -2.00 -1.25 116.42 122.79 1ikj h ASP 176 Ca 0.08 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1ikj h ASP 176 Cb 0.34 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ikj h ASP 176 CO 0.02 0.61 0.23 -1.28 -1.72 0.00 0.00 179.24 177.09 1ikj h SER 177 N 0.67 0.73 -0.75 6.45 0.87 -1.80 -1.12 113.55 118.60 1ikj h SER 177 Ca 0.17 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1ikj h SER 177 Cb 0.12 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1ikj h SER 177 CO -0.02 0.69 0.47 -0.07 -0.53 0.00 0.00 176.83 177.37 1ikj h LEU 178 N 0.73 0.77 -0.25 2.23 3.38 -1.12 0.25 115.31 121.29 1ikj h LEU 178 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1ikj h LEU 178 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1ikj h LEU 178 CO -0.02 0.53 -0.00 0.11 0.09 0.00 0.00 178.44 179.15 1ikj h LYS 179 N 0.91 0.45 -0.04 1.13 1.57 -1.08 -3.03 116.57 116.49 1ikj h LYS 179 Ca 0.31 -0.14 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1ikj h LYS 179 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ikj h LYS 179 CO -0.12 0.62 -0.42 0.66 -0.57 0.00 0.00 179.45 179.62 1ikj h SER 180 N 0.23 0.09 0.18 0.86 4.64 -0.83 -2.78 113.55 115.94 1ikj h SER 180 Ca 0.07 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1ikj h SER 180 Cb 0.42 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ikj h SER 180 CO 0.01 0.50 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.38 1ikj h LEU 181 N 0.07 0.00 -2.25 5.97 3.38 -0.83 -1.91 115.31 119.74 1ikj h LEU 181 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ikj h LEU 181 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ikj h LEU 181 CO 0.06 0.02 0.15 -0.07 0.09 0.00 0.00 178.44 178.68 1ikj h LEU 182 N 0.00 0.00 -0.62 1.67 3.38 -1.50 -1.16 115.31 117.08 1ikj h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ikj h LEU 182 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ikj h LEU 182 CO 0.00 0.00 -0.12 0.35 0.09 0.00 0.00 178.44 178.76 1ikj n THR 183 N -3.93 0.00 0.92 0.22 -2.24 -0.72 -4.71 114.28 103.83 1ikj n THR 183 Ca 0.01 -0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1ikj n THR 183 Cb 0.26 0.32 0.09 0.00 -2.10 0.00 0.00 70.33 68.91 1ikj n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79