#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5j s VAL 3 N 0.00 1.02 -0.02 -3.33 1.01 -1.26 -1.12 120.40 116.70 3g5j s VAL 3 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3g5j s VAL 3 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3g5j s VAL 3 CO 0.00 -0.10 0.08 -0.51 0.00 0.00 0.00 175.10 174.57 3g5j s ILE 4 N -1.00 0.03 0.43 2.22 2.07 -0.18 -4.87 121.20 119.89 3g5j s ILE 4 Ca -0.01 -0.27 -0.13 0.00 -1.41 0.00 0.00 60.65 58.84 3g5j s ILE 4 Cb -0.08 -0.21 -0.07 0.00 0.13 0.00 0.00 42.46 42.23 3g5j s ILE 4 CO 0.01 -0.15 0.83 -0.54 -1.91 0.00 0.00 174.94 173.19 3g5j s LYS 5 N -0.44 3.86 0.26 3.50 1.02 -1.26 -0.81 119.74 125.86 3g5j s LYS 5 Ca -0.05 0.64 -0.02 0.00 0.02 0.00 0.00 55.97 56.55 3g5j s LYS 5 Cb -0.03 -2.32 0.33 0.00 -0.52 0.00 0.00 37.83 35.28 3g5j s LYS 5 CO 0.00 -0.08 1.77 0.97 -0.92 0.00 0.00 175.35 177.09 3g5j h ILE 6 N 1.16 1.24 -0.84 2.17 6.09 -1.93 0.00 117.51 125.40 3g5j h ILE 6 Ca -0.47 -0.96 0.05 0.00 -1.37 0.00 0.00 64.86 62.11 3g5j h ILE 6 Cb 1.18 0.80 -0.06 0.00 0.47 0.00 0.00 36.82 39.22 3g5j h ILE 6 CO 0.63 0.34 0.53 1.05 -3.07 0.00 0.00 178.15 177.64 3g5j h GLU 7 N 0.79 0.97 -0.00 2.19 9.09 -1.96 -1.71 114.58 123.94 3g5j h GLU 7 Ca 0.16 -0.06 -0.24 0.00 0.05 0.00 0.00 59.36 59.27 3g5j h GLU 7 Cb 0.41 -0.22 0.02 0.00 -1.65 0.00 0.00 28.75 27.31 3g5j h GLU 7 CO 0.01 0.64 -0.94 -0.22 0.05 0.00 0.00 179.01 178.56 3g5j h LYS 8 N 1.00 0.64 -0.63 1.06 3.64 -1.83 -3.35 116.57 117.10 3g5j h LYS 8 Ca 0.35 -0.69 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 3g5j h LYS 8 Cb 0.10 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3g5j h LYS 8 CO -0.15 1.28 0.32 0.00 -2.27 0.00 0.00 179.45 178.63 3g5j h ALA 9 N 0.38 0.84 -0.07 5.00 0.00 -0.53 -2.55 119.26 122.34 3g5j h ALA 9 Ca -0.12 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3g5j h ALA 9 Cb 1.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3g5j h ALA 9 CO 0.19 -0.04 -0.15 -0.07 0.00 0.00 0.00 179.25 179.17 3g5j h LEU 10 N 0.58 0.11 -1.07 0.00 3.38 -1.45 -2.50 115.31 114.35 3g5j h LEU 10 Ca 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3g5j h LEU 10 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3g5j h LEU 10 CO -0.22 0.27 -0.01 0.29 0.09 0.00 0.00 178.44 178.87 3g5j n LYS 11 N -4.31 1.73 -2.00 1.13 5.02 -1.00 -4.97 118.16 113.77 3g5j n LYS 11 Ca -0.02 -1.07 -0.39 0.00 -2.02 0.00 0.00 58.31 54.81 3g5j n LYS 11 Cb 0.25 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3g5j n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3g5j s LEU 12 N -2.01 4.13 0.26 -0.35 1.43 -0.95 -4.96 118.68 116.23 3g5j s LEU 12 Ca 0.36 2.68 -0.31 0.00 -1.03 0.00 0.00 54.13 55.83 3g5j s LEU 12 Cb 0.21 -3.99 -0.12 0.00 0.03 0.00 0.00 46.19 42.32 3g5j s LEU 12 CO 0.34 -1.01 1.65 0.47 0.23 0.00 0.00 176.35 178.02 3g5j n ASP 13 N -0.15 3.91 -3.94 2.29 8.00 -1.26 -3.50 116.55 121.90 3g5j n ASP 13 Ca 0.05 1.11 -0.27 0.00 0.71 0.00 0.00 54.79 56.39 3g5j n ASP 13 Cb 0.44 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.12 39.94 3g5j n ASP 13 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g5j n LYS 14 N 2.85 -2.81 -3.43 -1.24 5.02 -1.26 -4.13 118.16 113.16 3g5j n LYS 14 Ca 0.11 0.38 -0.35 0.00 -2.02 0.00 0.00 58.31 56.43 3g5j n LYS 14 Cb 0.36 -4.36 -0.06 0.00 -0.02 0.00 0.00 35.03 30.96 3g5j n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g5j s VAL 15 N -3.91 4.93 -0.06 -0.18 0.11 -1.23 -1.04 120.40 119.02 3g5j s VAL 15 Ca 0.08 0.74 0.02 0.00 -2.93 0.00 0.00 61.98 59.89 3g5j s VAL 15 Cb -0.03 -3.71 0.01 0.00 -1.53 0.00 0.00 36.38 31.12 3g5j s VAL 15 CO 0.89 0.29 -0.12 -0.51 -3.33 0.00 0.00 175.10 172.32 3g5j s ILE 16 N -1.41 1.13 -0.08 7.04 1.10 -0.44 -4.98 121.20 123.55 3g5j s ILE 16 Ca 0.35 -0.48 -0.19 0.00 -0.51 0.00 0.00 60.65 59.82 3g5j s ILE 16 Cb -0.15 -1.03 -0.04 0.00 0.15 0.00 0.00 42.46 41.39 3g5j s ILE 16 CO 0.18 0.35 0.52 -0.36 -2.11 0.00 0.00 174.94 173.53 3g5j s PHE 17 N 0.61 3.56 -0.20 3.50 0.08 -1.26 -0.59 117.98 123.69 3g5j s PHE 17 Ca -0.14 1.00 0.01 0.00 0.12 0.00 0.00 56.93 57.93 3g5j s PHE 17 Cb -0.15 -2.58 0.04 0.00 -0.57 0.00 0.00 43.02 39.75 3g5j s PHE 17 CO 0.03 0.22 -0.14 0.08 -0.10 0.00 0.00 175.22 175.32 3g5j s VAL 18 N 0.40 1.88 -0.34 -0.44 1.01 0.03 -1.24 120.40 121.70 3g5j s VAL 18 Ca 0.28 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3g5j s VAL 18 Cb -0.16 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 3g5j s VAL 18 CO 0.13 0.27 0.54 -0.62 0.00 0.00 0.00 175.10 175.42 3g5j s ASP 19 N 1.31 6.36 0.00 3.32 -1.08 0.36 -0.61 116.67 126.32 3g5j s ASP 19 Ca -0.00 0.09 0.21 0.00 -0.52 0.00 0.00 52.55 52.32 3g5j s ASP 19 Cb -0.16 -2.28 0.53 0.00 -1.46 0.00 0.00 42.92 39.55 3g5j s ASP 19 CO -0.09 -0.48 1.44 1.33 0.52 0.00 0.00 175.17 177.90 3g5j n VAL 20 N 5.42 0.58 -1.16 1.11 0.24 -0.44 -4.17 118.33 119.91 3g5j n VAL 20 Ca -0.04 -0.69 -0.29 0.00 -2.04 0.00 0.00 64.34 61.28 3g5j n VAL 20 Cb 0.49 0.61 0.21 0.00 -1.47 0.00 0.00 33.84 33.68 3g5j n VAL 20 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3g5j s ARG 21 N -1.42 -0.53 0.84 7.34 0.52 -1.26 -2.19 118.95 122.24 3g5j s ARG 21 Ca 0.38 0.12 -0.10 0.00 -0.52 0.00 0.00 55.73 55.60 3g5j s ARG 21 Cb 0.21 -1.66 0.10 0.00 0.52 0.00 0.00 34.95 34.11 3g5j s ARG 21 CO 0.29 -3.29 1.11 0.95 0.02 0.00 0.00 175.30 174.37 3g5j s THR 22 N -3.04 2.84 0.30 0.02 -4.23 -1.26 -4.00 115.64 106.27 3g5j s THR 22 Ca 0.69 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 3g5j s THR 22 Cb -0.13 -2.60 0.28 0.00 1.34 0.00 0.00 72.50 71.39 3g5j s THR 22 CO 0.56 -0.36 1.92 -0.33 -0.54 0.00 0.00 174.62 175.88 3g5j h GLU 23 N -1.44 1.01 -0.58 3.99 5.08 -1.95 -1.12 114.58 119.57 3g5j h GLU 23 Ca -0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3g5j h GLU 23 Cb 1.25 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3g5j h GLU 23 CO 0.48 0.67 0.37 0.78 -1.00 0.00 0.00 179.01 180.31 3g5j h GLY 24 N 1.04 0.82 0.90 -3.84 0.00 -1.96 0.84 103.07 100.87 3g5j h GLY 24 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3g5j h GLY 24 CO -0.13 0.31 0.10 0.83 0.00 0.00 0.00 176.54 177.65 3g5j h GLU 25 N 0.78 0.42 -0.13 4.80 5.08 -1.78 -2.42 114.58 121.33 3g5j h GLU 25 Ca 0.21 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3g5j h GLU 25 Cb -0.06 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3g5j h GLU 25 CO -0.04 0.47 0.06 -0.92 -1.00 0.00 0.00 179.01 177.57 3g5j h TYR 26 N 0.29 0.11 -0.87 4.33 3.20 -0.97 -2.17 116.97 120.89 3g5j h TYR 26 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3g5j h TYR 26 Cb 0.21 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3g5j h TYR 26 CO -0.00 0.06 0.57 0.93 -1.64 0.00 0.00 178.16 178.08 3g5j h GLU 27 N 0.13 1.02 -0.37 1.82 5.08 -0.82 -2.82 114.58 118.63 3g5j h GLU 27 Ca 0.05 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3g5j h GLU 27 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3g5j h GLU 27 CO -0.04 0.67 0.04 1.49 -1.00 0.00 0.00 179.01 180.18 3g5j h GLU 28 N 1.05 0.62 -1.67 2.33 4.81 -0.89 -3.46 114.58 117.37 3g5j h GLU 28 Ca 0.35 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3g5j h GLU 28 Cb 0.08 -0.07 -0.25 0.00 0.63 0.00 0.00 28.75 29.15 3g5j h GLU 28 CO -0.11 0.69 0.41 -0.51 -0.73 0.00 0.00 179.01 178.76 3g5j s ASP 29 N -6.05 -0.49 0.18 1.04 1.01 -0.97 -5.13 116.67 106.26 3g5j s ASP 29 Ca -0.13 0.87 -0.14 0.00 0.71 0.00 0.00 52.55 53.86 3g5j s ASP 29 Cb 0.09 0.85 0.01 0.00 1.01 0.00 0.00 42.92 44.89 3g5j s ASP 29 CO 0.77 -0.22 0.42 -1.38 0.21 0.00 0.00 175.17 174.97 3g5j s HIS 30 N -0.03 0.11 0.27 4.23 -3.43 -1.25 -4.33 115.29 110.86 3g5j s HIS 30 Ca 0.01 -0.46 -0.30 0.00 -0.80 0.00 0.00 55.06 53.50 3g5j s HIS 30 Cb -0.04 0.20 -0.12 0.00 -1.43 0.00 0.00 32.58 31.19 3g5j s HIS 30 CO -0.03 -0.83 1.64 0.42 -2.00 0.00 0.00 174.74 173.94 3g5j s ILE 31 N -3.92 2.01 -0.39 -5.38 1.01 -1.26 -4.88 121.20 108.39 3g5j s ILE 31 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 60.65 60.36 3g5j s ILE 31 Cb 0.01 -3.00 -0.17 0.00 0.01 0.00 0.00 42.46 39.30 3g5j s ILE 31 CO -0.01 0.00 1.79 -0.11 0.00 0.00 0.00 174.94 176.61 3g5j n LEU 32 N 2.66 1.78 0.00 2.97 7.94 -1.26 -0.29 117.00 130.79 3g5j n LEU 32 Ca 0.10 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 3g5j n LEU 32 Cb 0.37 -1.04 0.00 0.00 0.53 0.00 0.00 43.42 43.28 3g5j n LEU 32 CO 0.64 -0.63 0.00 0.59 -1.11 0.00 0.00 177.39 176.88 3g5j n ASN 33 N 5.64 -1.82 -4.79 1.96 3.02 -1.26 -4.94 115.26 113.07 3g5j n ASN 33 Ca 0.33 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.53 3g5j n ASN 33 Cb 0.06 -0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3g5j n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g5j s ALA 34 N -2.78 2.87 0.37 5.41 0.00 0.60 -4.68 121.76 123.56 3g5j s ALA 34 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 51.96 52.76 3g5j s ALA 34 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3g5j s ALA 34 CO 0.00 -0.45 0.27 0.96 0.00 0.00 0.00 175.76 176.54 3g5j s ILE 35 N -1.82 3.07 0.51 0.00 -4.36 -0.37 -4.96 121.20 113.28 3g5j s ILE 35 Ca 0.67 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.63 3g5j s ILE 35 Cb -0.21 -3.07 0.01 0.00 1.25 0.00 0.00 42.46 40.44 3g5j s ILE 35 CO 0.25 -0.11 0.22 0.21 0.24 0.00 0.00 174.94 175.74 3g5j s ASN 36 N -3.99 4.40 -0.25 4.36 2.47 -1.26 -0.49 114.94 120.18 3g5j s ASN 36 Ca 0.42 -1.39 -0.11 0.00 0.42 0.00 0.00 52.86 52.20 3g5j s ASN 36 Cb -0.04 0.35 0.09 0.00 -1.45 0.00 0.00 41.25 40.20 3g5j s ASN 36 CO 0.26 -0.93 0.57 -2.16 -3.72 0.00 0.00 177.10 171.11 3g5j s PRO 38 N -4.07 0.53 0.21 0.43 0.04 -1.26 -4.95 135.00 125.94 3g5j s PRO 38 Ca 0.24 1.17 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 3g5j s PRO 38 Cb 0.00 0.35 0.15 0.00 0.04 0.00 0.00 34.50 35.04 3g5j s PRO 38 CO 0.14 -0.19 1.67 -0.07 0.04 0.00 0.00 177.00 178.60 3g5j h LEU 39 N 7.53 0.95 -8.59 -3.56 3.38 -1.65 -3.45 115.31 109.92 3g5j h LEU 39 Ca -0.25 -0.27 -0.64 0.00 0.09 0.00 0.00 57.88 56.81 3g5j h LEU 39 Cb 1.16 -0.26 -0.28 0.00 0.09 0.00 0.00 40.66 41.38 3g5j h LEU 39 CO 0.16 1.02 -0.87 -0.36 0.09 0.00 0.00 178.44 178.49 3g5j s PHE 40 N -4.97 2.07 0.89 1.13 0.08 -1.26 -4.57 117.98 111.34 3g5j s PHE 40 Ca -0.11 -0.39 -0.11 0.00 0.12 0.00 0.00 56.93 56.44 3g5j s PHE 40 Cb 0.14 -1.27 0.12 0.00 -0.57 0.00 0.00 43.02 41.44 3g5j s PHE 40 CO 0.84 0.05 1.09 0.15 -0.10 0.00 0.00 175.22 177.26 3g5j s LYS 41 N -0.93 1.33 0.16 0.44 1.02 -1.26 -4.51 119.74 115.99 3g5j s LYS 41 Ca 0.09 0.95 -0.15 0.00 0.02 0.00 0.00 55.97 56.88 3g5j s LYS 41 Cb -0.09 -1.81 0.09 0.00 -0.52 0.00 0.00 37.83 35.50 3g5j s LYS 41 CO 0.01 -2.23 1.74 -0.97 -0.92 0.00 0.00 175.35 172.98 3g5j h ASN 42 N -1.54 0.06 -0.49 2.83 -0.73 -1.99 0.23 115.58 113.95 3g5j h ASN 42 Ca -0.48 0.06 -0.03 0.00 1.87 0.00 0.00 56.30 57.71 3g5j h ASN 42 Cb 1.27 0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.91 3g5j h ASN 42 CO 0.53 0.07 0.17 -0.55 -0.37 0.00 0.00 177.43 177.28 3g5j h ASN 43 N 0.24 0.70 -0.61 1.15 -1.07 -2.00 -1.39 115.58 112.60 3g5j h ASN 43 Ca 0.18 -0.19 -0.01 0.00 0.07 0.00 0.00 56.30 56.35 3g5j h ASN 43 Cb 0.20 -0.18 -0.03 0.00 -2.07 0.00 0.00 38.32 36.24 3g5j h ASN 43 CO -0.22 0.71 0.34 -0.33 0.07 0.00 0.00 177.43 177.99 3g5j h GLU 44 N 0.66 0.85 -0.69 4.14 5.08 -1.83 -1.21 114.58 121.58 3g5j h GLU 44 Ca 0.16 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3g5j h GLU 44 Cb 0.24 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3g5j h GLU 44 CO -0.01 0.64 0.45 1.25 -1.00 0.00 0.00 179.01 180.35 3g5j h HIS 45 N 0.83 0.86 -0.45 4.33 2.76 -0.68 -1.27 115.15 121.53 3g5j h HIS 45 Ca 0.22 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3g5j h HIS 45 Cb 0.04 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 3g5j h HIS 45 CO -0.01 0.54 0.20 -0.91 -1.30 0.00 0.00 177.93 176.44 3g5j h ASN 46 N 0.93 0.61 0.04 3.26 2.35 -0.45 -1.39 115.58 120.94 3g5j h ASN 46 Ca 0.25 -0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3g5j h ASN 46 Cb -0.10 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.11 3g5j h ASN 46 CO -0.06 0.60 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.22 3g5j h GLU 47 N 0.59 -0.05 -0.89 0.81 4.81 -0.99 -0.95 114.58 117.90 3g5j h GLU 47 Ca 0.15 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3g5j h GLU 47 Cb 0.16 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3g5j h GLU 47 CO -0.02 -0.02 0.49 0.28 -0.73 0.00 0.00 179.01 179.01 3g5j h VAL 48 N -0.07 1.26 -0.44 0.32 2.07 -1.22 -0.93 116.25 117.25 3g5j h VAL 48 Ca -0.01 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3g5j h VAL 48 Cb 0.05 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 3g5j h VAL 48 CO 0.01 0.29 0.23 1.23 0.02 0.00 0.00 177.57 179.35 3g5j h GLY 49 N 1.25 0.66 1.00 2.17 0.00 -1.03 -1.16 103.07 105.96 3g5j h GLY 49 Ca 0.31 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3g5j h GLY 49 CO -0.05 0.30 0.10 -0.84 0.00 0.00 0.00 176.54 176.05 3g5j h THR 50 N 0.57 1.25 -0.79 4.70 2.02 -0.94 -1.80 112.91 117.92 3g5j h THR 50 Ca 0.15 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.38 3g5j h THR 50 Cb 0.08 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3g5j h THR 50 CO -0.02 0.34 0.43 0.40 0.37 0.00 0.00 175.52 177.03 3g5j h ILE 51 N 0.78 1.24 -0.51 3.11 2.04 -0.94 -2.74 117.51 120.48 3g5j h ILE 51 Ca 0.17 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 3g5j h ILE 51 Cb 0.39 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3g5j h ILE 51 CO 0.01 0.27 0.29 0.22 0.00 0.00 0.00 178.15 178.94 3g5j h TYR 52 N 1.09 0.69 0.00 1.37 3.20 -0.96 0.92 116.97 123.30 3g5j h TYR 52 Ca 0.28 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3g5j h TYR 52 Cb 0.04 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3g5j h TYR 52 CO 0.00 0.50 0.00 1.17 -1.64 0.00 0.00 178.16 178.19 3g5j n LYS 53 N -4.66 0.42 0.04 1.82 4.81 -0.70 -2.21 118.16 117.68 3g5j n LYS 53 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3g5j n LYS 53 Cb 0.07 -1.12 0.00 0.00 0.02 0.00 0.00 35.03 34.00 3g5j n LYS 53 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3g5j n GLN 55 N -0.62 0.00 0.00 1.64 6.02 0.25 -5.11 117.38 119.57 3g5j n GLN 55 Ca 0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3g5j n GLN 55 Cb 0.01 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 30.79 3g5j n GLN 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g5j n GLY 56 N -0.48 -2.86 0.25 1.08 0.00 -0.77 -4.60 105.19 97.80 3g5j n GLY 56 Ca 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 3g5j n GLY 56 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g5j h LYS 57 N 1.91 0.84 -0.58 1.61 3.64 -1.88 -1.93 116.57 120.18 3g5j h LYS 57 Ca 0.00 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3g5j h LYS 57 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 3g5j h LYS 57 CO 0.00 0.83 0.24 1.25 -2.27 0.00 0.00 179.45 179.50 3g5j h HIS 58 N 0.72 0.88 -0.06 1.91 2.76 -1.98 -0.59 115.15 118.79 3g5j h HIS 58 Ca 0.15 -0.06 -0.20 0.00 -2.20 0.00 0.00 60.37 58.07 3g5j h HIS 58 Cb 0.40 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 3g5j h HIS 58 CO 0.03 0.70 -0.79 0.93 -1.30 0.00 0.00 177.93 177.50 3g5j h GLU 59 N 0.80 0.43 -0.76 5.26 4.39 -1.79 -3.01 114.58 119.90 3g5j h GLU 59 Ca 0.19 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.47 3g5j h GLU 59 Cb 0.19 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 3g5j h GLU 59 CO -0.02 1.02 0.29 0.00 -1.16 0.00 0.00 179.01 179.14 3g5j h ALA 60 N 0.86 0.99 -0.58 3.43 0.00 -1.03 -1.81 119.26 121.12 3g5j h ALA 60 Ca -0.04 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.70 3g5j h ALA 60 Cb 1.38 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3g5j h ALA 60 CO 0.14 0.62 0.33 0.82 0.00 0.00 0.00 179.25 181.16 3g5j h ILE 61 N 1.10 1.02 -0.44 0.00 2.04 -1.15 0.22 117.51 120.30 3g5j h ILE 61 Ca 0.25 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3g5j h ILE 61 Cb 0.24 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3g5j h ILE 61 CO -0.02 0.12 0.23 1.56 0.00 0.00 0.00 178.15 180.04 3g5j h GLN 62 N 0.65 0.62 -0.63 2.37 4.20 -1.35 -0.52 115.11 120.45 3g5j h GLN 62 Ca 0.24 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.82 3g5j h GLN 62 Cb 0.08 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3g5j h GLN 62 CO -0.13 0.52 0.20 -0.22 -0.67 0.00 0.00 178.83 178.52 3g5j h LYS 63 N 0.57 0.99 -0.50 1.46 1.63 -1.03 -2.44 116.57 117.25 3g5j h LYS 63 Ca 0.15 -0.22 0.10 0.00 -0.85 0.00 0.00 60.65 59.83 3g5j h LYS 63 Cb 0.09 -0.14 -0.08 0.00 -0.60 0.00 0.00 32.23 31.49 3g5j h LYS 63 CO -0.02 0.87 0.00 0.78 -3.45 0.00 0.00 179.45 177.64 3g5j h GLY 64 N 0.92 0.52 0.62 5.01 0.00 -0.17 -1.58 103.07 108.38 3g5j h GLY 64 Ca 0.20 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.67 3g5j h GLY 64 CO -0.01 -0.14 0.42 0.74 0.00 0.00 0.00 176.54 177.56 3g5j h PHE 65 N 0.12 0.77 -0.62 5.60 0.04 -0.87 0.16 116.94 122.13 3g5j h PHE 65 Ca 0.25 0.03 0.05 0.00 2.80 0.00 0.00 57.97 61.10 3g5j h PHE 65 Cb 0.38 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 3g5j h PHE 65 CO -0.31 0.35 0.41 -0.44 -0.60 0.00 0.00 178.31 177.72 3g5j h ASP 66 N 0.75 0.58 0.07 2.17 3.32 -0.82 -1.69 116.42 120.80 3g5j h ASP 66 Ca 0.34 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3g5j h ASP 66 Cb 0.25 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 3g5j h ASP 66 CO -0.21 0.39 -1.93 -1.22 -1.72 0.00 0.00 179.24 174.55 3g5j n TYR 67 N -4.47 0.07 -0.05 4.55 4.01 -0.57 -4.52 117.16 116.19 3g5j n TYR 67 Ca 0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 57.90 57.83 3g5j n TYR 67 Cb 0.19 -0.54 -0.15 0.00 -0.31 0.00 0.00 39.34 38.53 3g5j n TYR 67 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3g5j n VAL 68 N -2.29 0.88 -0.26 -0.72 0.24 0.45 -4.56 118.33 112.07 3g5j n VAL 68 Ca -0.04 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3g5j n VAL 68 Cb 0.57 -0.34 0.13 0.00 -1.47 0.00 0.00 33.84 32.73 3g5j n VAL 68 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3g5j h SER 69 N 0.00 0.62 0.32 -1.34 0.02 -1.50 0.15 113.55 111.81 3g5j h SER 69 Ca -0.31 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3g5j h SER 69 Cb 1.73 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3g5j h SER 69 CO 0.02 0.38 0.00 0.00 -1.14 0.00 0.00 176.83 176.09 3g5j n TYR 70 N -4.76 0.25 0.57 3.45 0.18 -1.26 -2.70 117.16 112.89 3g5j n TYR 70 Ca 0.11 0.11 0.06 0.00 1.88 0.00 0.00 57.90 60.05 3g5j n TYR 70 Cb 0.21 -0.68 -0.06 0.00 -0.38 0.00 0.00 39.34 38.44 3g5j n TYR 70 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3g5j n LYS 71 N -1.74 2.78 -0.17 -3.48 5.02 0.47 -4.71 118.16 116.33 3g5j n LYS 71 Ca 0.01 -0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 3g5j n LYS 71 Cb 0.11 -1.09 0.02 0.00 -0.02 0.00 0.00 35.03 34.05 3g5j n LYS 71 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3g5j h LEU 72 N 0.27 0.59 -0.45 -0.35 3.38 -1.24 -1.60 115.31 115.92 3g5j h LEU 72 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g5j h LEU 72 Cb 0.32 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3g5j h LEU 72 CO 0.00 0.44 0.26 0.50 0.09 0.00 0.00 178.44 179.73 3g5j h LYS 73 N 0.69 0.51 -0.66 1.13 3.64 -1.84 -1.00 116.57 119.05 3g5j h LYS 73 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3g5j h LYS 73 Cb -0.07 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 3g5j h LYS 73 CO -0.04 0.34 0.36 0.22 -2.27 0.00 0.00 179.45 178.06 3g5j h ASP 74 N 0.53 0.80 -0.30 4.20 3.58 -1.82 0.40 116.42 123.82 3g5j h ASP 74 Ca 0.18 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 3g5j h ASP 74 Cb 0.02 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 3g5j h ASP 74 CO -0.09 0.65 0.07 0.40 -2.88 0.00 0.00 179.24 177.39 3g5j h ILE 75 N 0.91 1.22 -0.46 2.25 2.04 -0.83 -0.43 117.51 122.22 3g5j h ILE 75 Ca 0.23 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.39 3g5j h ILE 75 Cb 0.02 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3g5j h ILE 75 CO -0.04 0.24 0.21 0.22 0.00 0.00 0.00 178.15 178.79 3g5j h TYR 76 N 0.32 0.39 -0.65 1.37 3.20 -0.75 -0.90 116.97 119.95 3g5j h TYR 76 Ca 0.09 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3g5j h TYR 76 Cb 0.30 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3g5j h TYR 76 CO 0.02 0.18 0.06 -0.07 -1.64 0.00 0.00 178.16 176.71 3g5j h LEU 77 N 0.43 1.07 -0.35 2.82 3.38 -0.68 0.69 115.31 122.67 3g5j h LEU 77 Ca 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3g5j h LEU 77 Cb 0.14 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3g5j h LEU 77 CO -0.16 1.09 0.10 1.56 0.09 0.00 0.00 178.44 181.12 3g5j h GLN 78 N 1.02 0.55 -0.66 1.13 4.20 -0.80 -2.23 115.11 118.32 3g5j h GLN 78 Ca 0.19 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3g5j h GLN 78 Cb 0.50 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3g5j h GLN 78 CO 0.02 0.59 0.09 0.00 -0.67 0.00 0.00 178.83 178.86 3g5j h ALA 79 N 0.94 0.90 -0.68 3.87 0.00 -0.82 -0.90 119.26 122.58 3g5j h ALA 79 Ca 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3g5j h ALA 79 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3g5j h ALA 79 CO -0.00 0.67 0.29 0.00 0.00 0.00 0.00 179.25 180.20 3g5j h ALA 80 N 1.05 1.23 -0.20 0.00 0.00 -0.73 -1.02 119.26 119.59 3g5j h ALA 80 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3g5j h ALA 80 Cb 0.46 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g5j h ALA 80 CO 0.02 0.57 -0.17 1.49 0.00 0.00 0.00 179.25 181.16 3g5j h GLU 81 N 0.97 0.48 -0.81 0.00 4.57 -1.14 -2.62 114.58 116.03 3g5j h GLU 81 Ca 0.23 -0.24 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3g5j h GLU 81 Cb 0.16 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 3g5j h GLU 81 CO -0.02 0.81 0.53 -0.07 -1.18 0.00 0.00 179.01 179.07 3g5j h LEU 82 N 0.16 0.68 -2.12 1.64 3.38 -0.87 -1.97 115.31 116.21 3g5j h LEU 82 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3g5j h LEU 82 Cb 0.70 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3g5j h LEU 82 CO 0.04 0.41 -0.04 0.00 0.09 0.00 0.00 178.44 178.95 3g5j h ALA 83 N 1.59 1.09 0.00 1.53 0.00 -0.81 0.20 119.26 122.87 3g5j h ALA 83 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 3g5j h ALA 83 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3g5j h ALA 83 CO -0.14 0.05 -0.21 -0.07 0.00 0.00 0.00 179.25 178.87 3g5j h LEU 84 N 0.00 0.00 0.00 0.00 3.38 -1.27 -3.34 115.31 114.07 3g5j h LEU 84 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3g5j h LEU 84 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3g5j h LEU 84 CO 0.01 0.21 -1.15 0.59 0.09 0.00 0.00 178.44 178.19 3g5j n ASN 85 N -4.04 4.34 -4.36 -0.43 4.13 -0.44 -5.02 115.26 109.44 3g5j n ASN 85 Ca -0.02 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.92 3g5j n ASN 85 Cb 0.29 0.91 -0.15 0.00 -1.54 0.00 0.00 39.78 39.29 3g5j n ASN 85 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3g5j s TYR 86 N -2.15 2.45 -0.03 3.10 2.02 -0.07 -4.99 117.35 117.69 3g5j s TYR 86 Ca -0.01 -0.36 0.12 0.00 -0.37 0.00 0.00 57.07 56.45 3g5j s TYR 86 Cb 0.01 -1.55 -0.13 0.00 -0.40 0.00 0.00 41.96 39.90 3g5j s TYR 86 CO 0.12 0.02 1.13 -0.44 -1.57 0.00 0.00 175.55 174.81 3g5j h ASP 87 N 5.47 0.00 -3.37 2.29 3.32 -1.29 -3.38 116.42 119.46 3g5j h ASP 87 Ca -0.44 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.22 3g5j h ASP 87 Cb 1.13 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.32 3g5j h ASP 87 CO 0.48 0.79 -0.76 0.20 -1.72 0.00 0.00 179.24 178.23 3g5j s ASN 88 N -6.36 1.05 -0.28 6.45 -0.87 -1.02 -4.81 114.94 109.10 3g5j s ASN 88 Ca 0.00 -0.05 -0.01 0.00 -1.57 0.00 0.00 52.86 51.24 3g5j s ASN 88 Cb 0.09 -0.32 0.05 0.00 -0.02 0.00 0.00 41.25 41.04 3g5j s ASN 88 CO 0.80 -0.15 -0.03 -0.63 -2.57 0.00 0.00 177.10 174.51 3g5j s ILE 89 N 1.55 2.80 -0.36 0.60 1.01 -0.86 -1.33 121.20 124.61 3g5j s ILE 89 Ca -0.02 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 3g5j s ILE 89 Cb -0.13 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.76 3g5j s ILE 89 CO -0.03 -0.04 0.24 -0.69 0.00 0.00 0.00 174.94 174.42 3g5j s VAL 90 N 1.23 5.09 -0.14 2.92 1.01 0.25 -1.27 120.40 129.49 3g5j s VAL 90 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3g5j s VAL 90 Cb -0.19 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3g5j s VAL 90 CO -0.02 -0.09 0.17 -0.63 0.00 0.00 0.00 175.10 174.53 3g5j s ILE 91 N 1.68 5.42 0.02 2.22 1.01 0.30 -0.79 121.20 131.06 3g5j s ILE 91 Ca 0.05 0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 3g5j s ILE 91 Cb -0.18 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3g5j s ILE 91 CO 0.09 0.55 -0.03 -0.72 0.00 0.00 0.00 174.94 174.83 3g5j s TYR 92 N -0.52 0.25 0.00 3.97 -0.85 0.22 -1.21 117.35 119.20 3g5j s TYR 92 Ca 0.14 -0.50 0.00 0.00 -0.52 0.00 0.00 57.07 56.19 3g5j s TYR 92 Cb -0.12 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.04 3g5j s TYR 92 CO 0.03 -0.19 0.00 0.00 -1.52 0.00 0.00 175.55 173.88 3g5j h ALA 94 N 1.00 0.37 0.00 0.00 0.00 -1.94 -0.30 119.26 118.38 3g5j h ALA 94 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g5j h ALA 94 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3g5j h ALA 94 CO 0.00 -0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.68 3g5j n ARG 95 N -4.83 0.81 -1.99 0.00 1.74 -1.26 -2.00 116.66 109.13 3g5j n ARG 95 Ca -0.02 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.30 3g5j n ARG 95 Cb 0.07 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 3g5j n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g5j n GLY 96 N -0.14 0.86 0.00 -0.13 0.00 -1.25 -3.85 105.19 100.68 3g5j n GLY 96 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3g5j n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5j n GLY 97 N -0.50 -0.43 3.71 -0.02 0.00 -1.26 -4.62 105.19 102.07 3g5j n GLY 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g5j n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5j n ARG 99 N -1.56 0.00 0.06 1.61 1.74 -1.26 -1.33 116.66 115.93 3g5j n ARG 99 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 3g5j n ARG 99 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3g5j n ARG 99 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3g5j h SER 100 N 0.00 0.57 -0.68 0.55 4.64 -1.92 -3.19 113.55 113.51 3g5j h SER 100 Ca 0.00 -0.46 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 3g5j h SER 100 Cb 0.00 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 3g5j h SER 100 CO 0.00 1.26 0.22 1.23 -0.87 0.00 0.00 176.83 178.67 3g5j h GLY 101 N 1.16 1.14 0.96 -0.77 0.00 -1.54 -0.49 103.07 103.53 3g5j h GLY 101 Ca -0.09 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 3g5j h GLY 101 CO 0.17 0.63 -0.37 1.48 0.00 0.00 0.00 176.54 178.45 3g5j h SER 102 N 1.00 0.73 -0.56 0.19 4.64 -1.82 -1.78 113.55 115.94 3g5j h SER 102 Ca 0.22 -0.52 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 3g5j h SER 102 Cb 0.30 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3g5j h SER 102 CO -0.01 1.11 0.18 0.40 -0.87 0.00 0.00 176.83 177.64 3g5j h ILE 103 N 0.37 1.24 0.00 0.95 1.08 -1.50 -1.19 117.51 118.46 3g5j h ILE 103 Ca 0.02 -0.80 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3g5j h ILE 103 Cb 0.96 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.41 3g5j h ILE 103 CO 0.08 0.30 -0.00 0.58 -0.69 0.00 0.00 178.15 178.42 3g5j h VAL 104 N 0.78 1.06 -0.70 1.67 2.07 -1.04 -1.22 116.25 118.86 3g5j h VAL 104 Ca 0.18 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3g5j h VAL 104 Cb 0.28 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3g5j h VAL 104 CO -0.01 0.05 0.43 0.78 0.02 0.00 0.00 177.57 178.85 3g5j h ASN 105 N -0.08 0.71 -0.08 0.57 -0.26 -1.23 0.87 115.58 116.08 3g5j h ASN 105 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3g5j h ASN 105 Cb 0.08 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3g5j h ASN 105 CO 0.00 0.49 0.00 0.25 -1.06 0.00 0.00 177.43 177.11 3g5j h LEU 106 N 0.84 0.14 -0.69 1.61 5.85 -1.09 -2.43 115.31 119.54 3g5j h LEU 106 Ca 0.28 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 3g5j h LEU 106 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3g5j h LEU 106 CO -0.12 0.41 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.04 3g5j h LEU 107 N -0.13 0.73 -1.18 2.25 3.38 -1.02 -2.44 115.31 116.89 3g5j h LEU 107 Ca 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3g5j h LEU 107 Cb 0.33 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3g5j h LEU 107 CO 0.00 0.97 0.44 -1.28 0.09 0.00 0.00 178.44 178.66 3g5j h SER 108 N 0.61 0.88 1.11 -0.43 0.87 -0.84 -1.73 113.55 114.03 3g5j h SER 108 Ca 0.08 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3g5j h SER 108 Cb 0.78 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3g5j h SER 108 CO 0.06 0.68 -0.10 0.77 -0.53 0.00 0.00 176.83 177.71 3g5j h SER 109 N 1.01 0.00 -0.53 6.23 4.64 -0.97 -1.89 113.55 122.04 3g5j h SER 109 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3g5j h SER 109 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3g5j h SER 109 CO -0.05 0.10 0.00 0.18 -0.87 0.00 0.00 176.83 176.20 3g5j n LEU 110 N -3.22 2.91 0.00 5.97 4.77 -0.74 -4.95 117.00 121.75 3g5j n LEU 110 Ca 0.01 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 3g5j n LEU 110 Cb 0.39 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3g5j n LEU 110 CO 0.31 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3g5j n GLY 111 N 1.33 0.77 3.78 -0.72 0.00 -0.71 -5.06 105.19 104.58 3g5j n GLY 111 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3g5j n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5j s VAL 112 N -2.22 4.95 -1.26 1.61 1.01 -0.73 -4.97 120.40 118.80 3g5j s VAL 112 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 3g5j s VAL 112 Cb 0.00 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3g5j s VAL 112 CO 0.00 0.47 1.69 0.21 0.00 0.00 0.00 175.10 177.47 3g5j s ASN 113 N -0.45 6.80 0.14 3.32 3.04 -1.26 -4.00 114.94 122.52 3g5j s ASN 113 Ca 0.28 -2.32 0.08 0.00 0.04 0.00 0.00 52.86 50.94 3g5j s ASN 113 Cb -0.18 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 3g5j s ASN 113 CO 0.15 -1.21 -0.13 0.68 -3.04 0.00 0.00 177.10 173.56 3g5j s VAL 114 N 4.26 3.12 0.01 -5.21 -7.23 -1.26 -2.02 120.40 112.07 3g5j s VAL 114 Ca 0.53 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 59.21 3g5j s VAL 114 Cb 0.03 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 3g5j s VAL 114 CO 0.05 0.01 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.46 3g5j s TYR 115 N -1.40 0.74 0.01 2.82 2.02 -0.40 -4.77 117.35 116.38 3g5j s TYR 115 Ca 0.22 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.41 3g5j s TYR 115 Cb -0.10 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 3g5j s TYR 115 CO 0.13 -0.02 0.82 -1.14 -1.57 0.00 0.00 175.55 173.78 3g5j s GLN 116 N -0.66 4.52 -0.17 -0.62 0.74 -0.27 -0.54 119.66 122.65 3g5j s GLN 116 Ca -0.00 1.15 -0.29 0.00 0.05 0.00 0.00 55.36 56.26 3g5j s GLN 116 Cb -0.05 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 3g5j s GLN 116 CO 0.00 0.14 1.27 -1.17 -0.55 0.00 0.00 175.29 174.98 3g5j s LEU 117 N 0.44 4.17 0.02 3.68 2.96 -0.35 -1.01 118.68 128.58 3g5j s LEU 117 Ca 0.42 1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 55.71 3g5j s LEU 117 Cb -0.20 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.88 3g5j s LEU 117 CO 0.24 -0.78 1.69 -0.70 -1.32 0.00 0.00 176.35 175.47 3g5j s GLU 118 N 3.55 4.19 0.00 1.98 2.12 0.01 -1.73 118.70 128.82 3g5j s GLU 118 Ca 0.55 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.19 3g5j s GLU 118 Cb -0.22 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.36 3g5j s GLU 118 CO 0.15 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 3g5j n GLY 119 N 4.11 0.91 7.00 -1.50 0.00 -1.26 -4.64 105.19 109.81 3g5j n GLY 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3g5j n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5j n GLY 120 N -2.11 0.91 0.37 -0.02 0.00 -0.70 -2.30 105.19 101.33 3g5j n GLY 120 Ca 0.00 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.47 3g5j n GLY 120 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g5j h TYR 121 N 0.00 0.85 -0.95 1.61 3.20 -0.66 -0.62 116.97 120.40 3g5j h TYR 121 Ca 0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3g5j h TYR 121 Cb 0.00 -0.27 -0.07 0.00 1.54 0.00 0.00 36.73 37.94 3g5j h TYR 121 CO 0.00 0.32 0.61 -0.22 -1.64 0.00 0.00 178.16 177.23 3g5j h LYS 122 N 0.72 1.03 -0.37 1.82 3.64 -1.37 -0.57 116.57 121.47 3g5j h LYS 122 Ca 0.45 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3g5j h LYS 122 Cb 0.69 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3g5j h LYS 122 CO -0.21 0.68 -0.02 0.00 -2.27 0.00 0.00 179.45 177.63 3g5j h ALA 123 N 1.50 1.27 -0.15 5.00 0.00 -0.68 -1.33 119.26 124.86 3g5j h ALA 123 Ca 0.42 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3g5j h ALA 123 Cb 0.24 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g5j h ALA 123 CO -0.17 0.49 -0.13 -0.92 0.00 0.00 0.00 179.25 178.52 3g5j h TYR 124 N 0.57 0.42 -0.57 0.00 3.20 -1.24 -0.79 116.97 118.57 3g5j h TYR 124 Ca 0.12 -0.12 0.09 0.00 3.14 0.00 0.00 58.73 61.95 3g5j h TYR 124 Cb 0.40 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 3g5j h TYR 124 CO 0.02 0.72 0.20 0.00 -1.64 0.00 0.00 178.16 177.46 3g5j h ARG 125 N -0.00 0.37 -0.60 1.82 3.08 -0.82 -1.61 114.38 116.62 3g5j h ARG 125 Ca 0.03 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3g5j h ARG 125 Cb 0.64 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3g5j h ARG 125 CO 0.03 0.24 0.25 -0.91 -1.07 0.00 0.00 179.97 178.51 3g5j h ASN 126 N 0.38 0.83 -0.66 7.04 2.35 -1.14 -2.54 115.58 121.84 3g5j h ASN 126 Ca 0.28 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3g5j h ASN 126 Cb 0.34 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 3g5j h ASN 126 CO -0.29 0.77 0.40 0.15 -1.65 0.00 0.00 177.43 176.81 3g5j h PHE 127 N 0.84 0.74 -0.38 1.19 3.57 -0.42 -3.03 116.94 119.45 3g5j h PHE 127 Ca 0.20 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3g5j h PHE 127 Cb 0.20 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 3g5j h PHE 127 CO 0.01 0.40 -0.36 0.28 -2.23 0.00 0.00 178.31 176.41 3g5j h VAL 128 N 0.76 1.27 -2.71 1.41 2.07 -1.20 -3.43 116.25 114.43 3g5j h VAL 128 Ca 0.28 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3g5j h VAL 128 Cb 0.08 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3g5j h VAL 128 CO -0.13 0.51 0.00 0.18 0.02 0.00 0.00 177.57 178.15 3g5j n LEU 129 N -4.06 0.00 0.00 2.57 4.77 -0.97 -5.13 117.00 114.18 3g5j n LEU 129 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3g5j n LEU 129 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3g5j n LEU 129 CO 0.48 -0.23 0.00 -0.62 -1.33 0.00 0.00 177.39 175.69