#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q5b s THR 2 N 0.00 3.45 -0.16 6.31 2.01 -1.26 -1.31 115.64 124.68 2q5b s THR 2 Ca 0.00 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 2q5b s THR 2 Cb 0.00 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 2q5b s THR 2 CO 0.00 0.53 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.02 2q5b s PHE 3 N 0.12 2.91 -0.19 4.92 0.40 -0.03 -4.98 117.98 121.12 2q5b s PHE 3 Ca -0.04 -0.64 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 2q5b s PHE 3 Cb -0.14 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 2q5b s PHE 3 CO 0.04 -0.27 0.20 0.99 0.70 0.00 0.00 175.22 176.88 2q5b s THR 4 N 0.69 5.36 -0.18 0.64 2.01 -1.26 -0.70 115.64 122.20 2q5b s THR 4 Ca -0.04 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.28 2q5b s THR 4 Cb -0.15 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.83 2q5b s THR 4 CO 0.02 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 2q5b s VAL 5 N 0.52 2.67 0.12 3.82 1.01 0.56 -4.52 120.40 124.58 2q5b s VAL 5 Ca 0.11 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2q5b s VAL 5 Cb -0.12 -2.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 2q5b s VAL 5 CO 0.01 0.50 0.80 -0.54 0.00 0.00 0.00 175.10 175.86 2q5b s LYS 6 N 1.19 4.57 -0.46 2.72 1.02 0.46 -0.71 119.74 128.53 2q5b s LYS 6 Ca 0.02 1.17 -0.17 0.00 0.02 0.00 0.00 55.97 57.01 2q5b s LYS 6 Cb -0.14 -3.31 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2q5b s LYS 6 CO -0.06 0.44 0.44 -1.64 -0.92 0.00 0.00 175.35 173.61 2q5b s MET 7 N -0.67 3.03 0.00 1.68 -1.94 0.35 -0.82 119.30 120.93 2q5b s MET 7 Ca 0.38 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 2q5b s MET 7 Cb -0.22 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.54 2q5b s MET 7 CO 0.26 -1.00 0.00 0.41 -0.01 0.00 0.00 175.02 174.68 2q5b n GLY 8 N 5.17 -0.16 3.83 -0.03 0.00 0.04 -1.32 105.19 112.72 2q5b n GLY 8 Ca -0.10 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 2q5b n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5b s ALA 9 N -0.07 2.88 0.41 4.61 0.00 -0.34 -3.98 121.76 125.27 2q5b s ALA 9 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.26 2q5b s ALA 9 Cb 0.00 -3.17 0.87 0.00 0.00 0.00 0.00 23.12 20.82 2q5b s ALA 9 CO 0.00 -0.68 2.03 -0.44 0.00 0.00 0.00 175.76 176.67 2q5b h ASP 10 N 0.31 0.49 0.10 0.00 3.32 -1.96 -0.50 116.42 118.19 2q5b h ASP 10 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2q5b h ASP 10 Cb 1.20 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2q5b h ASP 10 CO 0.59 0.34 0.00 -1.54 -1.72 0.00 0.00 179.24 176.91 2q5b n SER 11 N -4.47 0.27 0.00 6.45 3.41 -1.26 -4.83 113.62 113.19 2q5b n SER 11 Ca 0.06 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2q5b n SER 11 Cb 0.14 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2q5b n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q5b n GLY 12 N -1.18 0.74 3.89 5.00 0.00 -0.20 -5.07 105.19 108.38 2q5b n GLY 12 Ca -0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 2q5b n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q5b s LEU 13 N 0.00 4.34 -1.36 0.99 1.43 -1.25 -4.91 118.68 117.92 2q5b s LEU 13 Ca 0.00 0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 2q5b s LEU 13 Cb 0.00 -2.91 0.08 0.00 0.03 0.00 0.00 46.19 43.39 2q5b s LEU 13 CO 0.00 0.18 1.97 0.18 0.23 0.00 0.00 176.35 178.91 2q5b n LEU 14 N 0.72 6.19 -4.04 1.79 4.77 -1.26 -1.20 117.00 123.97 2q5b n LEU 14 Ca -0.08 -4.21 -0.09 0.00 -0.03 0.00 0.00 56.01 51.60 2q5b n LEU 14 Cb 0.52 -1.65 -0.11 0.00 -2.33 0.00 0.00 43.42 39.86 2q5b n LEU 14 CO 0.45 0.88 -0.37 -1.10 -1.33 0.00 0.00 177.39 175.92 2q5b s GLN 15 N 2.80 0.48 0.15 3.23 -0.21 -1.26 -3.96 119.66 120.89 2q5b s GLN 15 Ca 0.47 -0.87 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 2q5b s GLN 15 Cb 0.09 0.03 -0.07 0.00 1.00 0.00 0.00 33.01 34.07 2q5b s GLN 15 CO -0.02 -0.04 0.94 -0.06 -2.12 0.00 0.00 175.29 173.99 2q5b s PHE 16 N -2.30 3.87 -0.23 0.91 0.08 -1.26 -0.78 117.98 118.26 2q5b s PHE 16 Ca -0.06 1.83 -0.01 0.00 0.12 0.00 0.00 56.93 58.80 2q5b s PHE 16 Cb -0.04 -3.01 0.07 0.00 -0.57 0.00 0.00 43.02 39.47 2q5b s PHE 16 CO -0.03 0.30 0.03 -2.00 -0.10 0.00 0.00 175.22 173.42 2q5b s GLU 17 N -0.43 0.90 0.44 0.44 2.12 0.00 -2.33 118.70 119.84 2q5b s GLU 17 Ca 0.44 -0.73 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2q5b s GLU 17 Cb -0.24 -2.20 -0.09 0.00 0.26 0.00 0.00 34.13 31.85 2q5b s GLU 17 CO 0.30 -0.72 1.02 -1.25 -0.54 0.00 0.00 175.26 174.07 2q5b s PRO 18 N 1.68 4.05 0.13 4.30 0.04 -1.26 -0.40 135.00 143.54 2q5b s PRO 18 Ca 0.01 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 2q5b s PRO 18 Cb -0.18 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 31.97 2q5b s PRO 18 CO -0.12 -0.21 1.30 0.00 0.04 0.00 0.00 177.00 178.01 2q5b h ALA 19 N 2.02 0.38 -3.23 8.56 0.00 -1.79 -3.43 119.26 121.77 2q5b h ALA 19 Ca -0.49 -0.77 -0.65 0.00 0.00 0.00 0.00 54.91 53.00 2q5b h ALA 19 Cb 1.21 -0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.69 2q5b h ALA 19 CO 0.61 0.92 -0.74 -0.80 0.00 0.00 0.00 179.25 179.23 2q5b s ASN 20 N -7.00 4.16 -0.04 0.00 -0.87 -1.26 -0.59 114.94 109.34 2q5b s ASN 20 Ca -0.04 -0.32 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2q5b s ASN 20 Cb 0.09 -1.66 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 2q5b s ASN 20 CO 0.85 0.12 -0.09 -0.69 -2.57 0.00 0.00 177.10 174.72 2q5b s VAL 21 N 0.65 0.82 -0.14 1.60 1.01 -0.59 -4.99 120.40 118.76 2q5b s VAL 21 Ca -0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2q5b s VAL 21 Cb -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 2q5b s VAL 21 CO 0.02 0.27 0.02 -0.89 0.00 0.00 0.00 175.10 174.52 2q5b s THR 22 N 0.40 4.40 0.06 3.92 2.01 -1.26 -0.61 115.64 124.57 2q5b s THR 22 Ca -0.07 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 61.79 2q5b s THR 22 Cb -0.11 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 2q5b s THR 22 CO 0.01 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 2q5b s VAL 23 N -0.07 1.05 0.16 3.82 1.01 0.11 -4.94 120.40 121.53 2q5b s VAL 23 Ca 0.04 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.88 2q5b s VAL 23 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2q5b s VAL 23 CO 0.02 -0.19 -0.01 -1.00 0.00 0.00 0.00 175.10 173.92 2q5b s HIS 24 N -1.18 2.85 0.12 5.22 3.76 -1.26 -0.75 115.29 124.05 2q5b s HIS 24 Ca -0.02 -0.13 -0.35 0.00 -0.15 0.00 0.00 55.06 54.42 2q5b s HIS 24 Cb -0.09 -1.40 -0.16 0.00 1.11 0.00 0.00 32.58 32.03 2q5b s HIS 24 CO 0.02 0.50 1.21 -2.30 -0.85 0.00 0.00 174.74 173.33 2q5b n PRO 25 N 0.04 1.05 0.00 8.40 -0.02 -1.26 -1.29 135.00 141.91 2q5b n PRO 25 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2q5b n PRO 25 Cb 0.54 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2q5b n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q5b n GLY 26 N 2.19 2.39 3.80 -1.23 0.00 0.28 -4.86 105.19 107.77 2q5b n GLY 26 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2q5b n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q5b s ASP 27 N -1.40 5.49 -0.06 1.61 1.01 -0.41 -4.51 116.67 118.39 2q5b s ASP 27 Ca 0.00 1.78 0.04 0.00 0.71 0.00 0.00 52.55 55.08 2q5b s ASP 27 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 2q5b s ASP 27 CO 0.00 -1.37 -0.19 -0.89 0.21 0.00 0.00 175.17 172.94 2q5b s THR 28 N -2.66 2.64 -0.19 -1.27 2.01 -0.42 -0.19 115.64 115.56 2q5b s THR 28 Ca 0.62 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2q5b s THR 28 Cb -0.16 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2q5b s THR 28 CO 0.44 0.57 0.03 -0.69 -0.69 0.00 0.00 174.62 174.29 2q5b s VAL 29 N -0.39 4.38 -0.21 3.82 1.01 -0.16 -0.86 120.40 128.00 2q5b s VAL 29 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2q5b s VAL 29 Cb -0.12 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2q5b s VAL 29 CO 0.02 0.45 -0.14 -0.75 0.00 0.00 0.00 175.10 174.68 2q5b s LYS 30 N 0.62 2.88 -0.06 2.72 2.20 0.12 -1.11 119.74 127.11 2q5b s LYS 30 Ca 0.01 -0.92 -0.18 0.00 -0.36 0.00 0.00 55.97 54.52 2q5b s LYS 30 Cb -0.14 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 2q5b s LYS 30 CO 0.02 -0.31 0.50 -1.58 -0.36 0.00 0.00 175.35 173.62 2q5b s TRP 31 N 1.29 3.61 -0.09 4.03 0.51 0.52 -0.32 118.94 128.48 2q5b s TRP 31 Ca 0.02 1.01 0.03 0.00 -2.12 0.00 0.00 56.10 55.03 2q5b s TRP 31 Cb -0.15 -2.51 0.01 0.00 -0.81 0.00 0.00 33.47 30.01 2q5b s TRP 31 CO -0.09 0.33 -0.18 0.14 -0.51 0.00 0.00 176.95 176.64 2q5b s VAL 32 N -0.01 1.63 -0.06 4.03 -7.23 0.11 -1.71 120.40 117.16 2q5b s VAL 32 Ca 0.27 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2q5b s VAL 32 Cb -0.16 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 2q5b s VAL 32 CO 0.13 0.47 1.42 0.21 -0.31 0.00 0.00 175.10 177.02 2q5b s ASN 33 N 0.58 6.84 0.00 4.85 2.47 -0.03 -0.50 114.94 129.15 2q5b s ASN 33 Ca -0.15 2.01 0.00 0.00 0.42 0.00 0.00 52.86 55.14 2q5b s ASN 33 Cb -0.17 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.09 2q5b s ASN 33 CO 0.05 -0.78 0.00 -3.20 -3.72 0.00 0.00 177.10 169.45 2q5b n ASN 34 N 6.17 0.00 -4.31 -4.21 5.15 -0.44 -0.49 115.26 117.14 2q5b n ASN 34 Ca 0.14 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.88 2q5b n ASN 34 Cb 0.44 -0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.56 2q5b n ASN 34 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2q5b s LYS 35 N -0.03 1.19 -1.24 1.20 -0.14 -1.02 -4.71 119.74 115.00 2q5b s LYS 35 Ca 0.00 -1.25 -0.00 0.00 -1.36 0.00 0.00 55.97 53.36 2q5b s LYS 35 Cb 0.00 -1.43 -0.00 0.00 -1.68 0.00 0.00 37.83 34.72 2q5b s LYS 35 CO 0.00 0.32 0.88 1.28 -0.76 0.00 0.00 175.35 177.08 2q5b n LEU 36 N 0.85 -3.69 -4.62 3.17 4.77 -1.26 -4.16 117.00 112.05 2q5b n LEU 36 Ca -0.18 -0.70 -0.29 0.00 -0.03 0.00 0.00 56.01 54.82 2q5b n LEU 36 Cb 0.54 -2.95 0.20 0.00 -2.33 0.00 0.00 43.42 38.88 2q5b n LEU 36 CO 0.24 0.39 0.61 -2.16 -1.33 0.00 0.00 177.39 175.14 2q5b s PRO 37 N -5.59 -0.18 0.52 3.23 0.04 -1.26 -4.76 135.00 127.00 2q5b s PRO 37 Ca 0.00 0.44 -0.10 0.00 0.04 0.00 0.00 61.00 61.39 2q5b s PRO 37 Cb -0.00 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.82 2q5b s PRO 37 CO 0.76 -3.13 0.89 -1.25 0.04 0.00 0.00 177.00 174.32 2q5b s PRO 38 N -4.95 3.67 0.12 0.56 0.04 -1.26 -5.07 135.00 128.10 2q5b s PRO 38 Ca 0.67 0.54 0.05 0.00 0.04 0.00 0.00 61.00 62.31 2q5b s PRO 38 Cb -0.18 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 2q5b s PRO 38 CO 0.59 -0.30 -0.13 -1.01 0.04 0.00 0.00 177.00 176.18 2q5b s HIS 39 N -2.80 1.35 0.23 0.56 3.76 -0.86 -4.80 115.29 112.74 2q5b s HIS 39 Ca 0.52 -0.59 0.05 0.00 -0.15 0.00 0.00 55.06 54.89 2q5b s HIS 39 Cb -0.10 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 2q5b s HIS 39 CO 0.43 0.13 0.18 0.27 -0.85 0.00 0.00 174.74 174.90 2q5b n ASN 40 N 0.43 -0.26 -3.64 1.40 0.23 -1.26 -0.83 115.26 111.33 2q5b n ASN 40 Ca -0.15 -2.48 -0.29 0.00 -0.53 0.00 0.00 54.58 51.13 2q5b n ASN 40 Cb 0.58 1.08 -0.16 0.00 -2.08 0.00 0.00 39.78 39.20 2q5b n ASN 40 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2q5b s ILE 41 N -2.87 0.33 -0.11 1.53 1.01 -0.86 -4.00 121.20 116.22 2q5b s ILE 41 Ca 0.25 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2q5b s ILE 41 Cb 0.01 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 2q5b s ILE 41 CO 0.18 -0.56 -0.16 -0.76 0.00 0.00 0.00 174.94 173.63 2q5b s LEU 42 N 1.91 2.54 -0.25 2.97 1.43 0.09 -0.09 118.68 127.27 2q5b s LEU 42 Ca 0.07 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 2q5b s LEU 42 Cb -0.17 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2q5b s LEU 42 CO -0.25 0.18 0.03 -0.36 0.23 0.00 0.00 176.35 176.19 2q5b s PHE 43 N 0.23 3.06 0.57 0.29 0.40 -1.26 -1.15 117.98 120.11 2q5b s PHE 43 Ca -0.11 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.24 2q5b s PHE 43 Cb -0.16 -2.19 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 2q5b s PHE 43 CO 0.06 -0.50 1.11 0.34 0.70 0.00 0.00 175.22 176.93 2q5b s ASP 44 N 1.53 5.66 0.44 1.36 2.15 -1.26 -4.58 116.67 121.97 2q5b s ASP 44 Ca 0.05 2.08 0.16 0.00 0.43 0.00 0.00 52.55 55.27 2q5b s ASP 44 Cb -0.15 -2.57 1.08 0.00 -0.30 0.00 0.00 42.92 40.98 2q5b s ASP 44 CO 0.01 -1.26 1.95 -2.24 -0.17 0.00 0.00 175.17 173.46 2q5b h ASP 45 N 0.92 0.34 -0.45 -0.34 2.03 -1.91 -1.01 116.42 116.00 2q5b h ASP 45 Ca -0.49 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 2q5b h ASP 45 Cb 1.25 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2q5b h ASP 45 CO 0.57 0.19 0.00 0.29 -1.03 0.00 0.00 179.24 179.25 2q5b n LYS 46 N -4.46 2.09 -0.16 4.15 5.02 -1.26 -3.27 118.16 120.27 2q5b n LYS 46 Ca 0.12 -1.69 0.06 0.00 -2.02 0.00 0.00 58.31 54.79 2q5b n LYS 46 Cb 0.48 -1.38 0.13 0.00 -0.02 0.00 0.00 35.03 34.24 2q5b n LYS 46 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2q5b n GLN 47 N 0.87 2.42 -4.45 1.97 1.13 -0.38 -4.80 117.38 114.14 2q5b n GLN 47 Ca 0.16 -2.25 -0.23 0.00 -1.94 0.00 0.00 57.00 52.74 2q5b n GLN 47 Cb 0.40 -1.40 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 2q5b n GLN 47 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2q5b s VAL 48 N -2.00 2.25 0.22 5.09 -7.23 -1.25 -1.53 120.40 115.95 2q5b s VAL 48 Ca 0.24 -2.32 -0.32 0.00 -1.81 0.00 0.00 61.98 57.77 2q5b s VAL 48 Cb 0.19 -2.31 -0.14 0.00 0.56 0.00 0.00 36.38 34.68 2q5b s VAL 48 CO 0.06 -0.40 1.35 -2.65 -0.31 0.00 0.00 175.10 173.14 2q5b n PRO 49 N -0.60 1.81 -0.87 4.82 -0.02 -1.23 -1.07 135.00 137.84 2q5b n PRO 49 Ca -0.06 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2q5b n PRO 49 Cb 0.61 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2q5b n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q5b n GLY 50 N 2.13 0.56 3.83 -1.23 0.00 -1.26 -3.64 105.19 105.57 2q5b n GLY 50 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2q5b n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q5b n ALA 51 N 1.00 -1.34 -2.60 4.61 0.00 -0.23 -4.92 120.51 117.02 2q5b n ALA 51 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.24 2q5b n ALA 51 Cb 0.05 -4.59 -0.03 0.00 0.00 0.00 0.00 19.45 14.88 2q5b n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q5b s SER 52 N -3.38 6.68 0.28 0.00 0.15 -1.20 -4.64 113.70 111.60 2q5b s SER 52 Ca 0.61 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.81 2q5b s SER 52 Cb -0.30 -2.51 0.41 0.00 -1.71 0.00 0.00 66.02 61.92 2q5b s SER 52 CO 0.80 -1.05 1.82 0.50 1.20 0.00 0.00 173.24 176.52 2q5b h LYS 53 N 8.78 0.78 -0.70 5.44 3.64 -1.92 -0.94 116.57 131.66 2q5b h LYS 53 Ca -0.23 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2q5b h LYS 53 Cb 1.07 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2q5b h LYS 53 CO 1.06 0.73 0.44 0.93 -2.27 0.00 0.00 179.45 180.34 2q5b h GLU 54 N 0.74 0.94 -0.05 1.90 5.08 -1.96 0.83 114.58 122.07 2q5b h GLU 54 Ca 0.16 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2q5b h GLU 54 Cb 0.33 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2q5b h GLU 54 CO 0.00 0.64 0.01 1.25 -1.00 0.00 0.00 179.01 179.92 2q5b h LEU 55 N 0.95 0.07 -0.96 1.33 5.85 -1.92 -2.60 115.31 118.03 2q5b h LEU 55 Ca 0.25 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2q5b h LEU 55 Cb -0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2q5b h LEU 55 CO -0.05 0.31 0.17 0.00 -0.34 0.00 0.00 178.44 178.53 2q5b h ALA 56 N 0.77 1.16 -0.47 1.25 0.00 -0.89 -2.04 119.26 119.05 2q5b h ALA 56 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2q5b h ALA 56 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2q5b h ALA 56 CO 0.00 0.58 -0.16 -0.44 0.00 0.00 0.00 179.25 179.23 2q5b h ASP 57 N 0.89 0.90 -0.68 0.00 3.32 -0.87 -1.35 116.42 118.64 2q5b h ASP 57 Ca 0.20 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2q5b h ASP 57 Cb 0.28 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2q5b h ASP 57 CO -0.01 1.06 0.34 0.11 -1.72 0.00 0.00 179.24 179.02 2q5b h LYS 58 N 0.79 1.00 0.00 3.56 1.57 -1.05 -3.14 116.57 119.30 2q5b h LYS 58 Ca 0.12 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 2q5b h LYS 58 Cb 0.70 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2q5b h LYS 58 CO 0.05 0.77 -1.03 -0.07 -0.57 0.00 0.00 179.45 178.60 2q5b h LEU 59 N 0.99 0.00 -9.57 2.94 3.38 -1.18 -3.46 115.31 108.41 2q5b h LEU 59 Ca 0.24 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.69 2q5b h LEU 59 Cb 0.09 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.88 2q5b h LEU 59 CO -0.03 0.73 0.82 -0.44 0.09 0.00 0.00 178.44 179.61 2q5b s SER 60 N -6.32 6.68 -0.90 -0.43 0.01 -0.53 -4.91 113.70 107.31 2q5b s SER 60 Ca 0.00 2.49 -0.06 0.00 1.31 0.00 0.00 55.95 59.69 2q5b s SER 60 Cb 0.09 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.95 2q5b s SER 60 CO 0.79 -0.76 0.82 -2.28 0.41 0.00 0.00 173.24 172.23 2q5b s HIS 61 N 1.19 3.91 0.14 2.43 2.46 0.87 -4.90 115.29 121.38 2q5b s HIS 61 Ca 0.68 -2.69 0.25 0.00 0.47 0.00 0.00 55.06 53.77 2q5b s HIS 61 Cb -0.41 -3.52 0.98 0.00 -0.13 0.00 0.00 32.58 29.50 2q5b s HIS 61 CO 0.31 -0.86 1.85 0.66 -2.47 0.00 0.00 174.74 174.22 2q5b h SER 62 N 6.69 0.00 -3.96 9.88 4.64 -1.93 -2.29 113.55 126.57 2q5b h SER 62 Ca 0.13 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.93 2q5b h SER 62 Cb 0.90 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.06 2q5b h SER 62 CO 0.86 0.20 0.56 -1.10 -0.87 0.00 0.00 176.83 176.47 2q5b s GLN 63 N -3.67 3.88 0.14 4.77 -0.21 -1.26 -4.86 119.66 118.45 2q5b s GLN 63 Ca 0.00 2.00 -0.28 0.00 0.02 0.00 0.00 55.36 57.10 2q5b s GLN 63 Cb 0.10 -2.62 -0.07 0.00 1.00 0.00 0.00 33.01 31.42 2q5b s GLN 63 CO 0.63 -0.52 0.90 -0.51 -2.12 0.00 0.00 175.29 173.66 2q5b s LEU 64 N -2.66 4.54 -0.22 2.90 1.43 -1.26 -4.66 118.68 118.74 2q5b s LEU 64 Ca 0.60 1.75 -0.07 0.00 -1.03 0.00 0.00 54.13 55.38 2q5b s LEU 64 Cb -0.34 -3.49 -0.03 0.00 0.03 0.00 0.00 46.19 42.36 2q5b s LEU 64 CO 0.43 0.04 0.05 -0.04 0.23 0.00 0.00 176.35 177.06 2q5b s MET 65 N -0.47 3.69 -0.09 1.70 -1.94 -0.01 -4.94 119.30 117.24 2q5b s MET 65 Ca 0.42 -0.47 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 2q5b s MET 65 Cb -0.23 -3.23 -0.10 0.00 2.01 0.00 0.00 34.83 33.27 2q5b s MET 65 CO 0.29 -0.06 0.02 1.19 -0.01 0.00 0.00 175.02 176.45 2q5b n PHE 66 N 4.52 0.00 -3.56 -0.03 3.01 -1.26 -2.02 117.46 118.12 2q5b n PHE 66 Ca -0.16 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.92 2q5b n PHE 66 Cb 0.52 -0.43 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 2q5b n PHE 66 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2q5b s SER 67 N -4.14 6.58 0.25 4.37 0.15 -1.26 -4.76 113.70 114.89 2q5b s SER 67 Ca -0.05 0.68 -0.31 0.00 0.70 0.00 0.00 55.95 56.97 2q5b s SER 67 Cb 0.03 -2.20 -0.13 0.00 -1.71 0.00 0.00 66.02 62.01 2q5b s SER 67 CO 0.35 0.21 1.39 -2.65 1.20 0.00 0.00 173.24 173.74 2q5b n PRO 68 N 2.75 2.03 0.00 5.44 -0.02 -1.26 -1.92 135.00 142.01 2q5b n PRO 68 Ca -0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2q5b n PRO 68 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2q5b n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q5b n GLY 69 N 1.99 1.42 3.70 -1.23 0.00 0.35 -4.96 105.19 106.46 2q5b n GLY 69 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2q5b n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2q5b n GLU 70 N -2.00 1.67 -4.05 1.61 1.02 -0.81 -4.72 120.64 113.37 2q5b n GLU 70 Ca 0.00 0.61 -0.07 0.00 -0.02 0.00 0.00 57.16 57.67 2q5b n GLU 70 Cb 0.00 -2.42 -0.09 0.00 -0.02 0.00 0.00 31.44 28.91 2q5b n GLU 70 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2q5b s SER 71 N -0.79 0.42 -0.07 1.62 1.04 -1.26 -0.85 113.70 113.81 2q5b s SER 71 Ca 0.67 -0.94 -0.05 0.00 0.48 0.00 0.00 55.95 56.11 2q5b s SER 71 Cb -0.46 0.23 0.03 0.00 0.10 0.00 0.00 66.02 65.92 2q5b s SER 71 CO 0.53 -0.63 0.17 -0.47 0.98 0.00 0.00 173.24 173.82 2q5b s TYR 72 N -3.91 -0.20 0.04 5.02 5.04 -0.70 -5.00 117.35 117.64 2q5b s TYR 72 Ca 0.07 0.51 0.08 0.00 -2.44 0.00 0.00 57.07 55.29 2q5b s TYR 72 Cb 0.07 0.02 -0.03 0.00 0.35 0.00 0.00 41.96 42.38 2q5b s TYR 72 CO -0.10 -0.13 -0.22 -1.21 -1.34 0.00 0.00 175.55 172.55 2q5b s GLU 73 N 0.57 1.49 -0.12 4.97 2.02 -1.26 -0.36 118.70 126.01 2q5b s GLU 73 Ca -0.04 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.00 2q5b s GLU 73 Cb -0.05 -1.62 0.01 0.00 0.10 0.00 0.00 34.13 32.57 2q5b s GLU 73 CO -0.03 0.41 -0.17 0.42 0.02 0.00 0.00 175.26 175.92 2q5b s ILE 74 N -0.79 1.64 -0.36 -1.63 1.01 -0.27 -5.00 121.20 115.80 2q5b s ILE 74 Ca 0.08 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.83 2q5b s ILE 74 Cb -0.09 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.89 2q5b s ILE 74 CO 0.02 0.47 0.50 -0.89 0.00 0.00 0.00 174.94 175.03 2q5b s THR 75 N 1.01 5.03 -1.26 2.92 2.01 -1.26 -0.98 115.64 123.10 2q5b s THR 75 Ca -0.05 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.01 2q5b s THR 75 Cb -0.15 -3.97 0.12 0.00 0.01 0.00 0.00 72.50 68.51 2q5b s THR 75 CO -0.03 -0.25 1.60 0.49 -0.69 0.00 0.00 174.62 175.74 2q5b n PHE 76 N 5.72 4.79 -1.58 4.92 3.01 0.73 -4.96 117.46 130.08 2q5b n PHE 76 Ca -0.05 -3.10 -0.30 0.00 1.01 0.00 0.00 57.45 55.01 2q5b n PHE 76 Cb 0.49 -2.41 0.19 0.00 -0.01 0.00 0.00 39.48 37.74 2q5b n PHE 76 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2q5b s SER 77 N 3.49 2.47 0.00 4.37 1.04 -1.26 0.10 113.70 123.91 2q5b s SER 77 Ca 0.48 0.51 0.04 0.00 0.48 0.00 0.00 55.95 57.46 2q5b s SER 77 Cb 0.01 -0.71 0.18 0.00 0.10 0.00 0.00 66.02 65.60 2q5b s SER 77 CO 0.04 -3.16 1.10 -1.54 0.98 0.00 0.00 173.24 170.67 2q5b n SER 78 N -4.09 0.00 0.16 7.02 3.41 -1.26 -1.14 113.62 117.72 2q5b n SER 78 Ca 0.13 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 2q5b n SER 78 Cb 0.59 -0.46 0.44 0.00 -0.26 0.00 0.00 64.21 64.53 2q5b n SER 78 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2q5b h ASP 79 N 0.00 0.00 -3.36 4.04 3.58 -1.97 -3.45 116.42 115.26 2q5b h ASP 79 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 2q5b h ASP 79 Cb 0.07 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.07 2q5b h ASP 79 CO 0.00 0.00 0.06 -0.36 -2.88 0.00 0.00 179.24 176.06 2q5b s PHE 80 N -3.28 3.67 0.44 0.28 0.40 -0.29 -5.05 117.98 114.15 2q5b s PHE 80 Ca 0.06 1.29 -0.25 0.00 -0.60 0.00 0.00 56.93 57.43 2q5b s PHE 80 Cb 0.10 -2.71 -0.08 0.00 0.51 0.00 0.00 43.02 40.84 2q5b s PHE 80 CO 0.53 0.27 1.27 -2.14 0.70 0.00 0.00 175.22 175.85 2q5b s PRO 81 N 0.08 3.80 0.59 0.24 0.02 -1.26 -4.96 135.00 133.51 2q5b s PRO 81 Ca 0.35 2.06 -0.18 0.00 0.02 0.00 0.00 61.00 63.24 2q5b s PRO 81 Cb -0.19 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 2q5b s PRO 81 CO 0.19 -0.60 1.17 0.00 -0.33 0.00 0.00 177.00 177.43 2q5b s ALA 82 N -1.34 2.57 0.00 -1.55 0.00 -1.26 -4.87 121.76 115.30 2q5b s ALA 82 Ca 0.61 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2q5b s ALA 82 Cb -0.36 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2q5b s ALA 82 CO 0.45 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2q5b n GLY 83 N 0.28 0.71 3.86 0.00 0.00 -0.32 -4.83 105.19 104.90 2q5b n GLY 83 Ca 0.13 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 2q5b n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q5b s THR 84 N -1.37 5.43 -0.30 2.61 -4.23 -1.26 -0.77 115.64 115.75 2q5b s THR 84 Ca 0.00 0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.72 2q5b s THR 84 Cb 0.00 -3.37 0.08 0.00 1.34 0.00 0.00 72.50 70.56 2q5b s THR 84 CO 0.00 0.61 -0.00 -0.31 -0.54 0.00 0.00 174.62 174.38 2q5b s TYR 85 N -0.95 3.17 -0.17 3.99 1.51 0.38 -3.51 117.35 121.79 2q5b s TYR 85 Ca 0.14 -2.48 -0.09 0.00 -1.01 0.00 0.00 57.07 53.64 2q5b s TYR 85 Cb -0.12 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 2q5b s TYR 85 CO 0.04 -0.89 0.14 0.99 -1.11 0.00 0.00 175.55 174.71 2q5b s THR 86 N 1.12 5.45 0.22 -0.71 2.01 -0.58 -0.85 115.64 122.29 2q5b s THR 86 Ca 0.03 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2q5b s THR 86 Cb -0.19 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2q5b s THR 86 CO -0.09 0.51 0.08 -0.72 -0.69 0.00 0.00 174.62 173.72 2q5b s TYR 87 N -0.21 1.36 0.18 4.92 1.13 -0.04 -4.32 117.35 120.36 2q5b s TYR 87 Ca 0.11 -1.19 -0.13 0.00 -1.41 0.00 0.00 57.07 54.45 2q5b s TYR 87 Cb -0.11 -0.77 0.01 0.00 -1.10 0.00 0.00 41.96 39.99 2q5b s TYR 87 CO 0.01 -0.38 0.41 1.52 -2.51 0.00 0.00 175.55 174.59 2q5b s TYR 88 N -3.83 0.13 -0.27 -3.49 1.13 -0.30 -1.15 117.35 109.57 2q5b s TYR 88 Ca 0.34 -0.49 -0.11 0.00 -1.41 0.00 0.00 57.07 55.41 2q5b s TYR 88 Cb 0.07 0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 2q5b s TYR 88 CO 0.11 -0.82 0.18 0.00 -2.51 0.00 0.00 175.55 172.50 2q5b h ALA 90 N 8.07 0.03 -0.88 0.00 0.00 -1.90 -0.35 119.26 124.24 2q5b h ALA 90 Ca -0.36 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 54.67 2q5b h ALA 90 Cb 1.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2q5b h ALA 90 CO 0.59 -0.38 0.59 -1.35 0.00 0.00 0.00 179.25 178.70 2q5b h PRO 91 N -0.12 0.33 -0.07 0.00 0.11 -1.94 -2.52 132.00 127.78 2q5b h PRO 91 Ca 0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2q5b h PRO 91 Cb 0.17 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2q5b h PRO 91 CO -0.00 0.22 -0.23 0.72 -0.21 0.00 0.00 178.00 178.49 2q5b n HIS 92 N -4.47 0.23 -0.27 0.65 8.25 -1.11 -4.73 115.22 113.76 2q5b n HIS 92 Ca 0.19 -1.30 -0.01 0.00 -0.26 0.00 0.00 57.72 56.34 2q5b n HIS 92 Cb 0.72 -0.26 0.12 0.00 1.12 0.00 0.00 29.99 31.69 2q5b n HIS 92 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2q5b h ARG 93 N 0.73 0.83 0.00 -0.41 2.43 -0.60 -1.05 114.38 116.31 2q5b h ARG 93 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2q5b h ARG 93 Cb 1.13 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2q5b h ARG 93 CO 0.07 0.55 0.00 0.78 -1.51 0.00 0.00 179.97 179.86 2q5b h GLY 94 N 0.85 0.00 0.45 2.80 0.00 -1.85 -0.66 103.07 104.67 2q5b h GLY 94 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2q5b h GLY 94 CO -0.17 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.19 2q5b n ALA 95 N -1.83 2.91 -2.09 3.60 0.00 -0.42 -4.94 120.51 117.76 2q5b n ALA 95 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2q5b n ALA 95 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2q5b n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q5b n GLY 96 N 1.30 0.47 3.54 0.00 0.00 -0.25 -4.95 105.19 105.30 2q5b n GLY 96 Ca 0.14 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2q5b n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2q5b s MET 97 N -4.17 3.62 0.08 1.61 -2.45 -1.11 -4.91 119.30 111.97 2q5b s MET 97 Ca 0.00 -1.30 0.02 0.00 -1.25 0.00 0.00 55.69 53.16 2q5b s MET 97 Cb 0.00 -5.29 -0.04 0.00 1.25 0.00 0.00 34.83 30.75 2q5b s MET 97 CO 0.00 -2.13 -0.07 0.14 1.05 0.00 0.00 175.02 174.00 2q5b s VAL 98 N 4.50 0.63 0.28 10.11 -7.23 -1.26 -1.41 120.40 126.03 2q5b s VAL 98 Ca 0.44 -1.61 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 2q5b s VAL 98 Cb -0.01 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.66 2q5b s VAL 98 CO -0.09 -0.69 0.51 -0.83 -0.31 0.00 0.00 175.10 173.70 2q5b s GLY 99 N -2.48 0.69 -0.14 2.32 0.00 -0.30 -4.50 107.32 102.90 2q5b s GLY 99 Ca 0.03 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 2q5b s GLY 99 CO -0.03 -0.66 0.33 1.25 0.00 0.00 0.00 173.10 174.00 2q5b s LYS 100 N -3.68 0.30 -0.19 2.90 2.20 0.24 -0.86 119.74 120.64 2q5b s LYS 100 Ca 0.23 0.68 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 2q5b s LYS 100 Cb -0.01 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 2q5b s LYS 100 CO 0.11 -0.17 0.04 0.42 -0.36 0.00 0.00 175.35 175.40 2q5b s ILE 101 N 1.43 4.51 -0.24 5.43 -1.09 -0.03 -1.53 121.20 129.67 2q5b s ILE 101 Ca -0.09 -0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 58.14 2q5b s ILE 101 Cb -0.10 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 2q5b s ILE 101 CO -0.11 0.45 0.03 -0.89 -1.23 0.00 0.00 174.94 173.19 2q5b s THR 102 N 0.59 3.98 -0.35 2.92 2.01 0.22 -0.47 115.64 124.55 2q5b s THR 102 Ca 0.02 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 2q5b s THR 102 Cb -0.13 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 2q5b s THR 102 CO 0.02 0.36 0.40 -0.69 -0.69 0.00 0.00 174.62 174.02 2q5b s VAL 103 N 1.57 5.13 0.45 3.82 1.01 0.05 0.07 120.40 132.49 2q5b s VAL 103 Ca 0.06 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.93 2q5b s VAL 103 Cb -0.15 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 2q5b s VAL 103 CO 0.01 -0.13 1.01 -1.61 0.00 0.00 0.00 175.10 174.38 2q5b s GLU 104 N 2.11 4.00 0.00 2.72 2.02 0.07 -1.18 118.70 128.44 2q5b s GLU 104 Ca 0.13 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.43 2q5b s GLU 104 Cb -0.16 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.87 2q5b s GLU 104 CO 0.12 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.56