#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 -0.22 6.31 2.01 -1.26 -0.79 115.64 125.14 2q5b s THR 2 Ca 0.00 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 2q5b s THR 2 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2q5b s THR 2 CO 0.00 0.47 0.05 -0.36 -0.69 0.00 0.00 174.62 174.09 2q5b s PHE 3 N 0.83 3.10 -0.18 4.92 0.40 0.26 -4.98 117.98 122.33 2q5b s PHE 3 Ca -0.02 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.80 2q5b s PHE 3 Cb -0.15 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2q5b s PHE 3 CO 0.01 -0.24 0.45 0.99 0.70 0.00 0.00 175.22 177.13 2q5b s THR 4 N 1.22 5.18 -0.25 0.64 2.01 -1.26 -0.57 115.64 122.61 2q5b s THR 4 Ca 0.04 0.83 -0.04 0.00 0.31 0.00 0.00 61.69 62.84 2q5b s THR 4 Cb -0.14 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.59 2q5b s THR 4 CO 0.03 0.26 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.51 2q5b s VAL 5 N 1.17 3.39 0.08 3.82 1.01 0.00 -4.45 120.40 125.43 2q5b s VAL 5 Ca 0.22 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2q5b s VAL 5 Cb -0.15 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 2q5b s VAL 5 CO 0.09 0.25 1.11 -0.54 0.00 0.00 0.00 175.10 176.00 2q5b s LYS 6 N 1.43 4.52 -0.54 2.72 1.02 0.80 -1.15 119.74 128.55 2q5b s LYS 6 Ca 0.03 1.66 -0.19 0.00 0.02 0.00 0.00 55.97 57.49 2q5b s LYS 6 Cb -0.16 -3.35 0.07 0.00 -0.52 0.00 0.00 37.83 33.87 2q5b s LYS 6 CO -0.02 -0.09 0.65 -1.64 -0.92 0.00 0.00 175.35 173.33 2q5b s MET 7 N 0.58 3.09 0.00 1.68 -1.94 -0.08 -0.63 119.30 121.99 2q5b s MET 7 Ca 0.54 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 53.46 2q5b s MET 7 Cb -0.27 -4.16 0.00 0.00 2.01 0.00 0.00 34.83 32.41 2q5b s MET 7 CO 0.31 -1.33 0.00 0.41 -0.01 0.00 0.00 175.02 174.39 2q5b n GLY 8 N 5.21 -0.38 3.80 -0.03 0.00 0.08 -0.87 105.19 112.99 2q5b n GLY 8 Ca -0.08 -1.12 -0.33 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 -0.15 2.77 0.38 4.61 0.00 -0.07 -3.74 121.76 125.56 2q5b s ALA 9 Ca 0.00 0.54 0.10 0.00 0.00 0.00 0.00 51.96 52.60 2q5b s ALA 9 Cb 0.00 -3.26 0.87 0.00 0.00 0.00 0.00 23.12 20.73 2q5b s ALA 9 CO 0.00 -0.65 1.93 -0.44 0.00 0.00 0.00 175.76 176.60 2q5b h ASP 10 N 0.92 0.56 0.36 0.00 3.32 -1.94 0.01 116.42 119.65 2q5b h ASP 10 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2q5b h ASP 10 Cb 1.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2q5b h ASP 10 CO 0.58 0.32 0.00 -1.54 -1.72 0.00 0.00 179.24 176.88 2q5b n SER 11 N -4.50 0.00 0.00 6.45 3.41 -1.26 -4.86 113.62 112.86 2q5b n SER 11 Ca 0.13 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2q5b n SER 11 Cb 0.38 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.20 0.89 3.86 5.00 0.00 -0.01 -5.08 105.19 109.64 2q5b n GLY 12 Ca 0.04 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 4.36 -1.34 0.99 1.43 -1.25 -4.90 118.68 117.98 2q5b s LEU 13 Ca 0.00 0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 53.87 2q5b s LEU 13 Cb 0.00 -3.05 0.10 0.00 0.03 0.00 0.00 46.19 43.27 2q5b s LEU 13 CO 0.00 0.16 1.88 0.18 0.23 0.00 0.00 176.35 178.80 2q5b n LEU 14 N 0.95 5.98 -3.97 1.79 4.77 -1.26 -0.89 117.00 124.37 2q5b n LEU 14 Ca -0.08 -4.23 -0.10 0.00 -0.03 0.00 0.00 56.01 51.58 2q5b n LEU 14 Cb 0.52 -1.64 -0.11 0.00 -2.33 0.00 0.00 43.42 39.85 2q5b n LEU 14 CO 0.42 0.82 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.83 2q5b s GLN 15 N 2.67 0.28 0.18 3.23 -0.21 -1.26 -3.99 119.66 120.56 2q5b s GLN 15 Ca 0.47 -0.53 -0.30 0.00 0.02 0.00 0.00 55.36 55.02 2q5b s GLN 15 Cb 0.07 0.08 -0.07 0.00 1.00 0.00 0.00 33.01 34.09 2q5b s GLN 15 CO -0.01 -0.04 1.01 -0.06 -2.12 0.00 0.00 175.29 174.08 2q5b s PHE 16 N -1.25 3.76 -0.21 0.91 0.08 -1.26 -0.75 117.98 119.27 2q5b s PHE 16 Ca -0.13 1.75 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 2q5b s PHE 16 Cb -0.09 -3.13 0.07 0.00 -0.57 0.00 0.00 43.02 39.30 2q5b s PHE 16 CO -0.01 -0.07 0.04 -2.00 -0.10 0.00 0.00 175.22 173.09 2q5b s GLU 17 N -0.51 0.65 0.36 0.44 2.12 0.19 -2.13 118.70 119.83 2q5b s GLU 17 Ca 0.46 -0.51 -0.25 0.00 0.36 0.00 0.00 54.97 55.03 2q5b s GLU 17 Cb -0.27 -2.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.96 2q5b s GLU 17 CO 0.33 -0.69 1.04 -1.25 -0.54 0.00 0.00 175.26 174.14 2q5b s PRO 18 N 1.84 4.33 0.16 4.30 0.04 -1.26 -0.14 135.00 144.26 2q5b s PRO 18 Ca 0.00 1.52 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2q5b s PRO 18 Cb -0.17 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2q5b s PRO 18 CO -0.11 0.00 1.54 0.00 0.04 0.00 0.00 177.00 178.47 2q5b h ALA 19 N 2.85 0.68 -3.23 8.56 0.00 -1.74 -3.43 119.26 122.95 2q5b h ALA 19 Ca -0.48 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.36 2q5b h ALA 19 Cb 1.21 -0.16 -0.29 0.00 0.00 0.00 0.00 17.79 18.55 2q5b h ALA 19 CO 0.64 0.67 -0.79 -0.80 0.00 0.00 0.00 179.25 178.97 2q5b s ASN 20 N -6.76 3.77 -0.01 0.00 0.01 -1.26 -0.60 114.94 110.09 2q5b s ASN 20 Ca -0.11 -0.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.66 2q5b s ASN 20 Cb 0.12 -1.58 -0.01 0.00 0.41 0.00 0.00 41.25 40.19 2q5b s ASN 20 CO 0.87 0.11 -0.15 0.68 -1.51 0.00 0.00 177.10 177.10 2q5b s VAL 21 N 0.68 1.17 -0.23 1.60 -7.23 -0.56 -4.99 120.40 110.84 2q5b s VAL 21 Ca -0.07 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2q5b s VAL 21 Cb -0.16 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.83 2q5b s VAL 21 CO 0.02 0.33 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.17 2q5b s THR 22 N -0.36 2.83 0.16 5.32 2.01 -1.26 -0.93 115.64 123.41 2q5b s THR 22 Ca 0.06 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2q5b s THR 22 Cb -0.06 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2q5b s THR 22 CO -0.01 0.28 -0.14 0.68 -0.69 0.00 0.00 174.62 174.74 2q5b s VAL 23 N 1.34 2.96 0.19 3.82 -7.23 0.26 -4.97 120.40 116.78 2q5b s VAL 23 Ca 0.02 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 2q5b s VAL 23 Cb -0.16 -2.43 -0.07 0.00 0.56 0.00 0.00 36.38 34.28 2q5b s VAL 23 CO -0.05 -0.04 0.60 -1.00 -0.31 0.00 0.00 175.10 174.29 2q5b s HIS 24 N -1.53 3.56 0.16 2.82 3.76 -1.26 -1.19 115.29 121.62 2q5b s HIS 24 Ca 0.22 1.11 -0.34 0.00 -0.15 0.00 0.00 55.06 55.90 2q5b s HIS 24 Cb -0.09 -2.42 -0.15 0.00 1.11 0.00 0.00 32.58 31.03 2q5b s HIS 24 CO 0.13 0.35 1.33 -2.30 -0.85 0.00 0.00 174.74 173.40 2q5b n PRO 25 N 0.51 1.52 0.00 8.40 -0.02 -1.26 -0.92 135.00 143.22 2q5b n PRO 25 Ca -0.03 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2q5b n PRO 25 Cb 0.52 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.40 1.85 3.82 -1.23 0.00 0.69 -4.89 105.19 107.83 2q5b n GLY 26 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.52 5.86 -0.06 1.61 1.01 -0.10 -4.61 116.67 118.86 2q5b s ASP 27 Ca 0.00 1.68 0.03 0.00 0.71 0.00 0.00 52.55 54.97 2q5b s ASP 27 Cb 0.00 -2.51 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2q5b s ASP 27 CO 0.00 -1.11 -0.14 -0.89 0.21 0.00 0.00 175.17 173.24 2q5b s THR 28 N -2.72 3.09 -0.19 -1.27 2.01 0.03 -0.33 115.64 116.27 2q5b s THR 28 Ca 0.60 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.85 2q5b s THR 28 Cb -0.14 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 2q5b s THR 28 CO 0.42 0.59 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.23 2q5b s VAL 29 N -0.64 3.81 -0.23 3.82 1.01 -0.05 -0.58 120.40 127.55 2q5b s VAL 29 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2q5b s VAL 29 Cb -0.11 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.60 2q5b s VAL 29 CO 0.01 0.44 -0.14 -0.75 0.00 0.00 0.00 175.10 174.66 2q5b s LYS 30 N 0.95 2.64 0.05 2.72 2.20 0.26 -1.24 119.74 127.32 2q5b s LYS 30 Ca 0.01 -1.08 -0.24 0.00 -0.36 0.00 0.00 55.97 54.30 2q5b s LYS 30 Cb -0.14 -2.78 -0.06 0.00 -1.51 0.00 0.00 37.83 33.34 2q5b s LYS 30 CO 0.01 -0.40 0.71 -1.58 -0.36 0.00 0.00 175.35 173.74 2q5b s TRP 31 N 1.21 3.75 -0.09 4.03 0.51 0.69 -0.82 118.94 128.22 2q5b s TRP 31 Ca -0.02 1.41 0.01 0.00 -2.12 0.00 0.00 56.10 55.39 2q5b s TRP 31 Cb -0.17 -2.75 0.02 0.00 -0.81 0.00 0.00 33.47 29.77 2q5b s TRP 31 CO -0.08 0.34 -0.11 0.08 -0.51 0.00 0.00 176.95 176.66 2q5b s VAL 32 N -0.26 1.16 -0.18 4.03 1.01 -0.30 -1.72 120.40 124.13 2q5b s VAL 32 Ca 0.36 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2q5b s VAL 32 Cb -0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2q5b s VAL 32 CO 0.22 0.37 1.63 0.21 0.00 0.00 0.00 175.10 177.53 2q5b s ASN 33 N 1.05 6.43 -0.03 3.32 2.47 0.13 -0.90 114.94 127.40 2q5b s ASN 33 Ca -0.07 1.76 -0.05 0.00 0.42 0.00 0.00 52.86 54.92 2q5b s ASN 33 Cb -0.15 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.10 2q5b s ASN 33 CO -0.01 -1.19 -0.10 -3.20 -3.72 0.00 0.00 177.10 168.87 2q5b n ASN 34 N 8.21 0.98 -3.80 -4.21 5.15 -0.05 -0.23 115.26 121.31 2q5b n ASN 34 Ca 0.19 0.15 -0.12 0.00 -0.60 0.00 0.00 54.58 54.19 2q5b n ASN 34 Cb 0.45 -0.35 -0.09 0.00 -0.53 0.00 0.00 39.78 39.25 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 -2.21 0.60 -1.30 1.20 -0.14 -0.83 -4.93 119.74 112.13 2q5b s LYS 35 Ca -0.10 -0.29 -0.02 0.00 -1.36 0.00 0.00 55.97 54.20 2q5b s LYS 35 Cb 0.03 0.26 -0.00 0.00 -1.68 0.00 0.00 37.83 36.44 2q5b s LYS 35 CO 0.14 -0.16 0.67 1.28 -0.76 0.00 0.00 175.35 176.52 2q5b n LEU 36 N 1.30 -3.05 -4.66 3.17 4.77 -1.26 -4.10 117.00 113.18 2q5b n LEU 36 Ca -0.22 -0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 54.61 2q5b n LEU 36 Cb 0.56 -2.60 0.17 0.00 -2.33 0.00 0.00 43.42 39.22 2q5b n LEU 36 CO 0.22 0.41 0.64 -2.16 -1.33 0.00 0.00 177.39 175.16 2q5b s PRO 37 N -6.01 0.71 0.42 3.23 0.04 -1.26 -4.77 135.00 127.36 2q5b s PRO 37 Ca 0.05 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2q5b s PRO 37 Cb -0.01 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2q5b s PRO 37 CO 0.82 -2.67 0.79 -1.25 0.04 0.00 0.00 177.00 174.73 2q5b s PRO 38 N -4.76 3.78 0.12 0.56 0.04 -1.26 -5.05 135.00 128.43 2q5b s PRO 38 Ca 0.65 0.50 0.05 0.00 0.04 0.00 0.00 61.00 62.24 2q5b s PRO 38 Cb -0.21 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2q5b s PRO 38 CO 0.59 -0.06 -0.12 -1.01 0.04 0.00 0.00 177.00 176.43 2q5b s HIS 39 N -2.40 1.27 0.31 0.56 3.76 -0.95 -4.81 115.29 113.04 2q5b s HIS 39 Ca 0.52 -0.60 0.06 0.00 -0.15 0.00 0.00 55.06 54.88 2q5b s HIS 39 Cb -0.10 -0.67 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2q5b s HIS 39 CO 0.32 0.09 0.21 0.27 -0.85 0.00 0.00 174.74 174.78 2q5b n ASN 40 N 0.49 -0.07 -3.64 1.40 6.94 -1.26 -0.82 115.26 118.31 2q5b n ASN 40 Ca -0.15 -2.92 -0.29 0.00 -0.02 0.00 0.00 54.58 51.20 2q5b n ASN 40 Cb 0.57 1.29 -0.15 0.00 -2.36 0.00 0.00 39.78 39.14 2q5b n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2q5b s ILE 41 N -3.10 0.36 -0.14 1.53 1.01 -0.77 -4.03 121.20 116.06 2q5b s ILE 41 Ca 0.30 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2q5b s ILE 41 Cb 0.01 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2q5b s ILE 41 CO 0.21 -0.65 -0.11 -0.76 0.00 0.00 0.00 174.94 173.63 2q5b s LEU 42 N 1.89 2.81 -0.28 2.97 1.43 -0.07 -0.04 118.68 127.39 2q5b s LEU 42 Ca 0.08 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2q5b s LEU 42 Cb -0.17 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2q5b s LEU 42 CO -0.29 0.15 0.09 -0.36 0.23 0.00 0.00 176.35 176.17 2q5b s PHE 43 N 0.42 3.12 0.64 0.29 0.40 -1.26 -1.40 117.98 120.19 2q5b s PHE 43 Ca -0.09 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.37 2q5b s PHE 43 Cb -0.16 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 2q5b s PHE 43 CO 0.05 -0.48 1.12 0.34 0.70 0.00 0.00 175.22 176.94 2q5b s ASP 44 N 1.56 5.19 0.49 1.36 2.15 -1.26 -4.56 116.67 121.60 2q5b s ASP 44 Ca 0.04 2.05 0.16 0.00 0.43 0.00 0.00 52.55 55.23 2q5b s ASP 44 Cb -0.16 -2.56 1.19 0.00 -0.30 0.00 0.00 42.92 41.09 2q5b s ASP 44 CO 0.03 -1.58 2.07 -2.24 -0.17 0.00 0.00 175.17 173.29 2q5b h ASP 45 N 0.24 0.14 0.77 -0.34 2.03 -1.91 -1.11 116.42 116.25 2q5b h ASP 45 Ca -0.47 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 2q5b h ASP 45 Cb 1.25 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2q5b h ASP 45 CO 0.54 0.09 0.00 0.29 -1.03 0.00 0.00 179.24 179.14 2q5b n LYS 46 N -4.48 0.12 -0.26 4.15 4.76 -1.26 -3.00 118.16 118.19 2q5b n LYS 46 Ca 0.03 0.05 0.07 0.00 -2.87 0.00 0.00 58.31 55.59 2q5b n LYS 46 Cb 0.25 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.12 2q5b n LYS 46 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2q5b n GLN 47 N -1.43 2.70 -4.36 1.97 1.13 -0.42 -4.70 117.38 112.27 2q5b n GLN 47 Ca 0.08 -2.41 -0.19 0.00 -1.94 0.00 0.00 57.00 52.54 2q5b n GLN 47 Cb 0.28 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 29.00 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 -2.05 1.81 0.32 5.09 -7.23 -1.25 -1.19 120.40 115.90 2q5b s VAL 48 Ca 0.30 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 2q5b s VAL 48 Cb 0.23 -2.09 -0.12 0.00 0.56 0.00 0.00 36.38 34.95 2q5b s VAL 48 CO 0.09 -0.56 1.33 -2.65 -0.31 0.00 0.00 175.10 173.00 2q5b n PRO 49 N -0.41 2.15 -0.81 4.82 -0.02 -1.25 -1.09 135.00 138.39 2q5b n PRO 49 Ca -0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2q5b n PRO 49 Cb 0.60 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.12 1.17 4.09 -1.23 0.00 -1.26 -3.78 105.19 105.29 2q5b n GLY 50 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 0.87 -1.53 -2.60 4.61 0.00 -0.25 -4.91 120.51 116.71 2q5b n ALA 51 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2q5b n ALA 51 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 16.47 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 -3.68 6.57 0.29 0.00 0.15 -1.16 -4.63 113.70 111.24 2q5b s SER 52 Ca 0.47 0.50 -0.01 0.00 0.70 0.00 0.00 55.95 57.61 2q5b s SER 52 Cb -0.25 -2.38 0.44 0.00 -1.71 0.00 0.00 66.02 62.12 2q5b s SER 52 CO 0.90 -0.59 1.86 0.50 1.20 0.00 0.00 173.24 177.11 2q5b h LYS 53 N 8.23 0.84 -0.26 5.44 3.64 -1.91 -1.04 116.57 131.51 2q5b h LYS 53 Ca -0.25 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2q5b h LYS 53 Cb 1.10 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2q5b h LYS 53 CO 0.86 0.71 0.16 1.49 -2.27 0.00 0.00 179.45 180.40 2q5b h GLU 54 N 0.82 0.35 -0.24 1.90 4.81 -1.96 0.10 114.58 120.36 2q5b h GLU 54 Ca 0.19 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2q5b h GLU 54 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2q5b h GLU 54 CO -0.01 0.26 0.04 1.25 -0.73 0.00 0.00 179.01 179.82 2q5b h LEU 55 N 0.33 0.38 -0.90 1.64 5.85 -1.93 -2.18 115.31 118.50 2q5b h LEU 55 Ca 0.09 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2q5b h LEU 55 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2q5b h LEU 55 CO -0.02 0.54 0.38 0.00 -0.34 0.00 0.00 178.44 179.01 2q5b h ALA 56 N 0.85 1.14 -0.42 1.25 0.00 -0.97 -2.00 119.26 119.11 2q5b h ALA 56 Ca 0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2q5b h ALA 56 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2q5b h ALA 56 CO 0.00 0.65 -0.30 -0.44 0.00 0.00 0.00 179.25 179.16 2q5b h ASP 57 N 1.16 0.95 0.67 0.00 3.32 -0.75 -1.54 116.42 120.23 2q5b h ASP 57 Ca 0.28 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2q5b h ASP 57 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2q5b h ASP 57 CO -0.03 1.17 -0.43 0.07 -1.72 0.00 0.00 179.24 178.30 2q5b h LYS 58 N 0.77 0.00 0.00 3.56 2.10 -1.19 -3.02 116.57 118.79 2q5b h LYS 58 Ca 0.08 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.66 2q5b h LYS 58 Cb 0.87 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 2q5b h LYS 58 CO 0.08 0.43 -0.73 -0.07 -2.00 0.00 0.00 179.45 177.16 2q5b h LEU 59 N 0.00 0.00 -9.95 7.07 3.38 -1.15 -3.46 115.31 111.19 2q5b h LEU 59 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 2q5b h LEU 59 Cb 0.88 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.71 2q5b h LEU 59 CO 0.06 0.30 0.59 -0.44 0.09 0.00 0.00 178.44 179.03 2q5b s SER 60 N -5.99 6.31 -0.77 -0.43 0.01 -0.60 -4.91 113.70 107.32 2q5b s SER 60 Ca 0.02 2.58 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 2q5b s SER 60 Cb 0.08 -2.63 0.19 0.00 0.21 0.00 0.00 66.02 63.87 2q5b s SER 60 CO 0.76 -0.85 0.63 -2.28 0.41 0.00 0.00 173.24 171.91 2q5b s HIS 61 N -1.30 3.65 0.04 2.43 2.46 0.94 -4.95 115.29 118.56 2q5b s HIS 61 Ca 0.58 -2.75 0.18 0.00 0.47 0.00 0.00 55.06 53.54 2q5b s HIS 61 Cb -0.36 -3.31 0.49 0.00 -0.13 0.00 0.00 32.58 29.27 2q5b s HIS 61 CO 0.46 -0.82 1.64 0.66 -2.47 0.00 0.00 174.74 174.21 2q5b h SER 62 N 6.71 0.00 -3.93 9.88 4.64 -1.94 -2.04 113.55 126.86 2q5b h SER 62 Ca 0.07 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.88 2q5b h SER 62 Cb 0.91 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.05 2q5b h SER 62 CO 0.78 0.40 0.51 -1.10 -0.87 0.00 0.00 176.83 176.54 2q5b s GLN 63 N -3.37 4.11 0.21 4.77 -0.21 -1.26 -4.85 119.66 119.07 2q5b s GLN 63 Ca 0.02 1.86 -0.30 0.00 0.02 0.00 0.00 55.36 56.96 2q5b s GLN 63 Cb 0.10 -2.73 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 2q5b s GLN 63 CO 0.70 -0.27 1.23 -0.51 -2.12 0.00 0.00 175.29 174.32 2q5b s LEU 64 N -2.38 4.45 -0.28 2.90 1.43 -1.26 -4.66 118.68 118.87 2q5b s LEU 64 Ca 0.56 2.32 -0.07 0.00 -1.03 0.00 0.00 54.13 55.90 2q5b s LEU 64 Cb -0.31 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2q5b s LEU 64 CO 0.40 -0.41 0.08 -0.04 0.23 0.00 0.00 176.35 176.60 2q5b s MET 65 N -0.40 3.23 -0.04 1.70 -1.94 0.00 -4.93 119.30 116.92 2q5b s MET 65 Ca 0.53 -0.77 0.16 0.00 -1.71 0.00 0.00 55.69 53.90 2q5b s MET 65 Cb -0.34 -3.36 -0.24 0.00 2.01 0.00 0.00 34.83 32.90 2q5b s MET 65 CO 0.39 -0.38 0.31 1.19 -0.01 0.00 0.00 175.02 176.51 2q5b n PHE 66 N 4.88 0.00 -3.15 -0.03 3.01 -1.26 -2.23 117.46 118.69 2q5b n PHE 66 Ca -0.15 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.92 2q5b n PHE 66 Cb 0.49 -0.41 -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 -1.12 1.01 0.00 0.00 176.76 176.65 2q5b s SER 67 N -3.95 7.07 0.30 4.37 0.01 -1.26 -4.83 113.70 115.40 2q5b s SER 67 Ca -0.06 1.27 -0.30 0.00 1.31 0.00 0.00 55.95 58.17 2q5b s SER 67 Cb 0.09 -2.40 -0.11 0.00 0.21 0.00 0.00 66.02 63.82 2q5b s SER 67 CO 0.65 0.11 1.50 -2.84 0.41 0.00 0.00 173.24 173.08 2q5b s PRO 68 N -0.32 4.18 0.00 12.44 0.02 -1.26 -2.12 135.00 147.94 2q5b s PRO 68 Ca 0.33 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.81 2q5b s PRO 68 Cb -0.19 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2q5b s PRO 68 CO 0.19 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 2q5b n GLY 69 N 1.75 2.29 3.65 0.52 0.00 0.69 -4.95 105.19 109.14 2q5b n GLY 69 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 2q5b n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2q5b n GLU 70 N -2.00 1.86 -4.24 1.61 2.13 -0.90 -4.49 120.64 114.60 2q5b n GLU 70 Ca 0.00 0.66 -0.16 0.00 0.66 0.00 0.00 57.16 58.32 2q5b n GLU 70 Cb 0.00 -2.25 -0.10 0.00 0.27 0.00 0.00 31.44 29.36 2q5b n GLU 70 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2q5b s SER 71 N 0.04 1.85 -0.06 4.31 1.04 -1.26 -0.69 113.70 118.92 2q5b s SER 71 Ca 0.65 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 2q5b s SER 71 Cb -0.67 -0.03 0.02 0.00 0.10 0.00 0.00 66.02 65.44 2q5b s SER 71 CO 0.54 -0.25 0.16 -0.47 0.98 0.00 0.00 173.24 174.20 2q5b s TYR 72 N -2.76 -0.17 0.02 5.02 5.04 -0.70 -5.00 117.35 118.80 2q5b s TYR 72 Ca 0.12 0.43 0.04 0.00 -2.44 0.00 0.00 57.07 55.22 2q5b s TYR 72 Cb -0.01 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.33 2q5b s TYR 72 CO 0.02 -0.09 -0.11 -1.21 -1.34 0.00 0.00 175.55 172.82 2q5b s GLU 73 N 0.17 0.80 -0.08 4.97 2.02 -1.26 -0.22 118.70 125.09 2q5b s GLU 73 Ca -0.01 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.43 2q5b s GLU 73 Cb -0.02 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.47 2q5b s GLU 73 CO -0.00 0.19 -0.12 0.42 0.02 0.00 0.00 175.26 175.76 2q5b s ILE 74 N -0.65 1.22 -0.36 -1.63 1.01 -0.38 -5.00 121.20 115.42 2q5b s ILE 74 Ca 0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 2q5b s ILE 74 Cb -0.06 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.27 2q5b s ILE 74 CO 0.00 0.38 0.35 0.42 0.00 0.00 0.00 174.94 176.09 2q5b s THR 75 N 0.87 5.18 -1.40 2.92 -4.23 -1.26 -0.87 115.64 116.86 2q5b s THR 75 Ca -0.10 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2q5b s THR 75 Cb -0.15 -3.85 0.08 0.00 1.34 0.00 0.00 72.50 69.92 2q5b s THR 75 CO 0.01 -0.15 2.36 0.49 -0.54 0.00 0.00 174.62 176.79 2q5b n PHE 76 N 5.35 2.76 -0.82 3.99 3.01 0.55 -4.96 117.46 127.34 2q5b n PHE 76 Ca -0.10 -2.89 -0.28 0.00 1.01 0.00 0.00 57.45 55.19 2q5b n PHE 76 Cb 0.49 -2.10 0.22 0.00 -0.01 0.00 0.00 39.48 38.09 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 1.23 1.53 0.00 4.37 1.04 -1.26 -0.22 113.70 120.38 2q5b s SER 77 Ca 0.53 1.30 0.18 0.00 0.48 0.00 0.00 55.95 58.44 2q5b s SER 77 Cb 0.15 -2.03 0.93 0.00 0.10 0.00 0.00 66.02 65.17 2q5b s SER 77 CO -0.06 -3.83 1.53 -1.20 0.98 0.00 0.00 173.24 170.66 2q5b n SER 78 N -4.65 0.00 0.02 7.02 7.64 -1.26 -0.84 113.62 121.55 2q5b n SER 78 Ca 0.04 -0.06 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2q5b n SER 78 Cb 0.56 -0.24 0.54 0.00 -1.01 0.00 0.00 64.21 64.05 2q5b n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2q5b n ASP 79 N -1.24 0.16 -4.79 6.43 5.75 -1.26 -4.73 116.55 116.87 2q5b n ASP 79 Ca 0.09 0.52 -0.39 0.00 -0.01 0.00 0.00 54.79 55.00 2q5b n ASP 79 Cb 0.13 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.60 2q5b n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2q5b s PHE 80 N -3.03 3.79 0.38 2.11 0.40 -0.02 -5.06 117.98 116.55 2q5b s PHE 80 Ca 0.12 1.30 -0.27 0.00 -0.60 0.00 0.00 56.93 57.49 2q5b s PHE 80 Cb 0.16 -2.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.04 2q5b s PHE 80 CO 0.50 0.52 1.28 -1.25 0.70 0.00 0.00 175.22 176.97 2q5b s PRO 81 N -0.87 4.10 0.78 0.24 0.04 -1.26 -4.92 135.00 133.10 2q5b s PRO 81 Ca 0.30 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.34 2q5b s PRO 81 Cb -0.20 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.58 2q5b s PRO 81 CO 0.19 -0.37 1.15 0.00 0.04 0.00 0.00 177.00 178.01 2q5b s ALA 82 N -1.25 2.01 0.00 8.56 0.00 -1.26 -4.87 121.76 124.95 2q5b s ALA 82 Ca 0.55 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2q5b s ALA 82 Cb -0.37 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2q5b s ALA 82 CO 0.48 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.62 2q5b n GLY 83 N -0.14 0.62 3.77 0.00 0.00 -0.61 -4.86 105.19 103.97 2q5b n GLY 83 Ca 0.12 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.99 4.75 -0.29 2.61 -4.23 -1.26 -0.44 115.64 115.79 2q5b s THR 84 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2q5b s THR 84 Cb 0.00 -3.11 0.09 0.00 1.34 0.00 0.00 72.50 70.82 2q5b s THR 84 CO 0.00 0.47 0.05 -0.31 -0.54 0.00 0.00 174.62 174.28 2q5b s TYR 85 N -1.08 2.21 -0.16 3.99 1.51 0.35 -3.84 117.35 120.34 2q5b s TYR 85 Ca 0.19 -1.90 -0.08 0.00 -1.01 0.00 0.00 57.07 54.27 2q5b s TYR 85 Cb -0.12 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 2q5b s TYR 85 CO 0.09 -0.84 0.10 0.99 -1.11 0.00 0.00 175.55 174.78 2q5b s THR 86 N 1.45 5.15 0.22 -0.71 2.01 -0.33 -1.09 115.64 122.34 2q5b s THR 86 Ca 0.05 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.14 2q5b s THR 86 Cb -0.18 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 2q5b s THR 86 CO -0.15 0.52 0.10 -0.72 -0.69 0.00 0.00 174.62 173.67 2q5b s TYR 87 N -0.17 1.33 0.15 4.92 1.13 -0.28 -4.32 117.35 120.11 2q5b s TYR 87 Ca 0.09 -1.24 -0.16 0.00 -1.41 0.00 0.00 57.07 54.36 2q5b s TYR 87 Cb -0.12 -0.74 0.03 0.00 -1.10 0.00 0.00 41.96 40.03 2q5b s TYR 87 CO 0.01 -0.44 0.42 1.52 -2.51 0.00 0.00 175.55 174.55 2q5b s TYR 88 N -3.90 -0.10 -0.23 -3.49 1.13 -0.49 -0.97 117.35 109.29 2q5b s TYR 88 Ca 0.36 -0.23 -0.14 0.00 -1.41 0.00 0.00 57.07 55.66 2q5b s TYR 88 Cb 0.07 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 2q5b s TYR 88 CO 0.11 -0.77 0.30 0.00 -2.51 0.00 0.00 175.55 172.69 2q5b h ALA 90 N 7.60 0.08 -0.61 0.00 0.00 -1.89 -0.35 119.26 124.08 2q5b h ALA 90 Ca -0.36 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.51 2q5b h ALA 90 Cb 1.17 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2q5b h ALA 90 CO 0.67 -0.22 0.42 -1.35 0.00 0.00 0.00 179.25 178.78 2q5b h PRO 91 N -0.23 0.15 -0.15 0.00 0.11 -1.95 -2.56 132.00 127.38 2q5b h PRO 91 Ca 0.01 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 2q5b h PRO 91 Cb 0.39 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 2q5b h PRO 91 CO 0.00 0.10 -0.12 0.72 -0.21 0.00 0.00 178.00 178.49 2q5b n HIS 92 N -4.41 0.49 -0.26 0.65 8.25 -1.16 -4.71 115.22 114.06 2q5b n HIS 92 Ca 0.11 -1.22 -0.02 0.00 -0.26 0.00 0.00 57.72 56.33 2q5b n HIS 92 Cb 0.57 -0.29 0.09 0.00 1.12 0.00 0.00 29.99 31.48 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 0.88 0.82 0.00 -0.41 2.43 -0.62 -0.82 114.38 116.66 2q5b h ARG 93 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2q5b h ARG 93 Cb 1.27 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2q5b h ARG 93 CO 0.15 0.54 0.00 0.78 -1.51 0.00 0.00 179.97 179.93 2q5b h GLY 94 N 0.85 0.00 0.36 2.80 0.00 -1.84 -0.75 103.07 104.49 2q5b h GLY 94 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2q5b h GLY 94 CO -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.17 2q5b n ALA 95 N -1.92 3.03 -1.68 3.60 0.00 -0.34 -4.94 120.51 118.26 2q5b n ALA 95 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2q5b n ALA 95 Cb 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.33 0.53 3.56 0.00 0.00 -0.29 -4.96 105.19 105.36 2q5b n GLY 96 Ca 0.12 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.45 3.49 0.15 1.61 -2.45 -1.06 -4.91 119.30 112.68 2q5b s MET 97 Ca 0.00 -1.15 0.05 0.00 -1.25 0.00 0.00 55.69 53.34 2q5b s MET 97 Cb 0.00 -5.35 -0.04 0.00 1.25 0.00 0.00 34.83 30.69 2q5b s MET 97 CO 0.00 -2.41 -0.11 0.14 1.05 0.00 0.00 175.02 173.69 2q5b s VAL 98 N 5.66 1.24 0.31 10.11 -7.23 -1.26 -1.26 120.40 127.96 2q5b s VAL 98 Ca 0.51 -2.07 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 2q5b s VAL 98 Cb -0.00 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 35.09 2q5b s VAL 98 CO -0.06 -0.72 0.58 -0.83 -0.31 0.00 0.00 175.10 173.77 2q5b s GLY 99 N -3.16 0.65 -0.13 2.32 0.00 -0.14 -4.48 107.32 102.38 2q5b s GLY 99 Ca 0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 2q5b s GLY 99 CO 0.01 -0.57 0.34 1.25 0.00 0.00 0.00 173.10 174.13 2q5b s LYS 100 N -3.37 0.36 -0.15 2.90 2.20 0.23 -1.13 119.74 120.77 2q5b s LYS 100 Ca 0.21 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.36 2q5b s LYS 100 Cb -0.02 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2q5b s LYS 100 CO 0.12 -0.09 -0.11 0.42 -0.36 0.00 0.00 175.35 175.33 2q5b s ILE 101 N 0.64 3.14 -0.24 5.43 -1.09 -0.25 -1.50 121.20 127.32 2q5b s ILE 101 Ca -0.04 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 57.71 2q5b s ILE 101 Cb -0.05 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 2q5b s ILE 101 CO -0.04 0.50 0.03 -0.89 -1.23 0.00 0.00 174.94 173.31 2q5b s THR 102 N 0.61 3.93 -0.27 2.92 2.01 -0.11 -0.49 115.64 124.24 2q5b s THR 102 Ca -0.06 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 2q5b s THR 102 Cb -0.15 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 2q5b s THR 102 CO 0.03 0.35 0.55 -0.69 -0.69 0.00 0.00 174.62 174.17 2q5b s VAL 103 N 1.56 5.03 0.39 3.82 1.01 0.41 -0.57 120.40 132.05 2q5b s VAL 103 Ca 0.06 0.88 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 2q5b s VAL 103 Cb -0.15 -3.89 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2q5b s VAL 103 CO 0.01 0.01 1.39 -1.61 0.00 0.00 0.00 175.10 174.91 2q5b s GLU 104 N 2.40 4.01 0.00 2.72 2.02 -0.33 -1.58 118.70 127.95 2q5b s GLU 104 Ca 0.22 2.36 0.17 0.00 0.02 0.00 0.00 54.97 57.74 2q5b s GLU 104 Cb -0.15 -2.86 0.13 0.00 0.10 0.00 0.00 34.13 31.35 2q5b s GLU 104 CO 0.10 -0.53 1.02 0.41 0.02 0.00 0.00 175.26 176.28