#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 2.96 -0.19 2.62 2.01 -1.26 -0.92 115.64 120.86 2q5b s THR 2 Ca 0.00 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.27 2q5b s THR 2 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 2q5b s THR 2 CO 0.00 0.50 0.01 -0.36 -0.69 0.00 0.00 174.62 174.08 2q5b s PHE 3 N 0.72 3.08 -0.13 4.92 0.40 0.22 -4.98 117.98 122.21 2q5b s PHE 3 Ca -0.06 -0.29 -0.12 0.00 -0.60 0.00 0.00 56.93 55.86 2q5b s PHE 3 Cb -0.15 -2.05 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 2q5b s PHE 3 CO 0.02 -0.10 0.27 0.99 0.70 0.00 0.00 175.22 177.10 2q5b s THR 4 N 0.71 5.30 -0.16 0.64 2.01 -1.26 -0.76 115.64 122.12 2q5b s THR 4 Ca 0.00 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.53 2q5b s THR 4 Cb -0.14 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2q5b s THR 4 CO 0.02 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 2q5b s VAL 5 N -0.09 2.00 0.10 3.82 1.01 0.23 -4.46 120.40 123.01 2q5b s VAL 5 Ca 0.17 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2q5b s VAL 5 Cb -0.13 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 2q5b s VAL 5 CO 0.05 0.53 0.99 -0.54 0.00 0.00 0.00 175.10 176.13 2q5b s LYS 6 N 1.10 4.66 -0.51 2.72 1.02 0.47 -0.91 119.74 128.29 2q5b s LYS 6 Ca -0.00 1.49 -0.17 0.00 0.02 0.00 0.00 55.97 57.31 2q5b s LYS 6 Cb -0.14 -3.37 0.09 0.00 -0.52 0.00 0.00 37.83 33.88 2q5b s LYS 6 CO -0.08 0.15 0.51 -1.64 -0.92 0.00 0.00 175.35 173.37 2q5b s MET 7 N 0.11 3.02 0.00 1.68 -1.94 -0.09 -1.12 119.30 120.97 2q5b s MET 7 Ca 0.48 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 2q5b s MET 7 Cb -0.24 -4.18 0.00 0.00 2.01 0.00 0.00 34.83 32.42 2q5b s MET 7 CO 0.30 -1.21 0.00 0.41 -0.01 0.00 0.00 175.02 174.51 2q5b n GLY 8 N 5.22 -0.19 3.83 -0.03 0.00 0.11 -1.27 105.19 112.86 2q5b n GLY 8 Ca -0.11 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.16 2.96 0.50 4.61 0.00 -0.44 -3.87 121.76 125.36 2q5b s ALA 9 Ca 0.00 0.23 0.23 0.00 0.00 0.00 0.00 51.96 52.42 2q5b s ALA 9 Cb 0.00 -3.15 1.31 0.00 0.00 0.00 0.00 23.12 21.28 2q5b s ALA 9 CO 0.00 -0.46 1.97 -0.44 0.00 0.00 0.00 175.76 176.83 2q5b h ASP 10 N 0.66 0.11 0.38 0.00 3.32 -1.96 0.58 116.42 119.51 2q5b h ASP 10 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2q5b h ASP 10 Cb 1.20 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2q5b h ASP 10 CO 0.60 0.05 0.00 -1.54 -1.72 0.00 0.00 179.24 176.64 2q5b n SER 11 N -4.40 0.00 0.00 6.45 3.41 -1.26 -4.88 113.62 112.94 2q5b n SER 11 Ca 0.11 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2q5b n SER 11 Cb 0.61 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.53 0.73 3.77 5.00 0.00 0.19 -5.06 105.19 110.35 2q5b n GLY 12 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.33 -1.33 0.99 1.43 -1.25 -4.77 118.68 118.07 2q5b s LEU 13 Ca 0.00 2.41 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 2q5b s LEU 13 Cb 0.00 -3.85 0.07 0.00 0.03 0.00 0.00 46.19 42.44 2q5b s LEU 13 CO 0.00 -0.53 1.84 0.18 0.23 0.00 0.00 176.35 178.08 2q5b n LEU 14 N 0.49 5.46 -3.95 1.79 4.77 -1.26 -1.33 117.00 122.97 2q5b n LEU 14 Ca 0.02 -4.02 -0.09 0.00 -0.03 0.00 0.00 56.01 51.89 2q5b n LEU 14 Cb 0.45 -1.72 -0.10 0.00 -2.33 0.00 0.00 43.42 39.72 2q5b n LEU 14 CO 0.53 0.44 -0.29 -1.10 -1.33 0.00 0.00 177.39 175.64 2q5b s GLN 15 N 3.75 0.42 0.11 3.23 -0.21 -1.26 -3.62 119.66 122.07 2q5b s GLN 15 Ca 0.51 -0.63 -0.23 0.00 0.02 0.00 0.00 55.36 55.03 2q5b s GLN 15 Cb 0.06 0.16 -0.07 0.00 1.00 0.00 0.00 33.01 34.16 2q5b s GLN 15 CO 0.03 -0.08 0.71 -0.06 -2.12 0.00 0.00 175.29 173.77 2q5b s PHE 16 N -1.80 3.83 -0.18 0.91 0.08 -1.26 -0.71 117.98 118.86 2q5b s PHE 16 Ca -0.12 1.49 -0.03 0.00 0.12 0.00 0.00 56.93 58.38 2q5b s PHE 16 Cb -0.07 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.74 2q5b s PHE 16 CO -0.02 0.47 0.05 -2.00 -0.10 0.00 0.00 175.22 173.62 2q5b s GLU 17 N -0.85 0.50 0.44 0.44 2.12 -0.27 -2.12 118.70 118.97 2q5b s GLU 17 Ca 0.34 -0.29 -0.22 0.00 0.36 0.00 0.00 54.97 55.16 2q5b s GLU 17 Cb -0.21 -1.93 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 2q5b s GLU 17 CO 0.23 -0.61 1.05 -1.25 -0.54 0.00 0.00 175.26 174.14 2q5b s PRO 18 N 1.94 3.98 0.22 4.30 0.04 -1.26 -0.40 135.00 143.82 2q5b s PRO 18 Ca 0.00 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.55 2q5b s PRO 18 Cb -0.16 -2.33 0.19 0.00 0.04 0.00 0.00 34.50 32.24 2q5b s PRO 18 CO -0.08 -0.29 1.52 0.00 0.04 0.00 0.00 177.00 178.18 2q5b h ALA 19 N 2.04 0.78 -3.19 8.56 0.00 -1.76 -3.43 119.26 122.26 2q5b h ALA 19 Ca -0.49 -0.60 -0.67 0.00 0.00 0.00 0.00 54.91 53.15 2q5b h ALA 19 Cb 1.22 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 18.60 2q5b h ALA 19 CO 0.61 0.80 -0.83 -0.80 0.00 0.00 0.00 179.25 179.03 2q5b s ASN 20 N -6.89 3.41 -0.06 0.00 0.01 -1.26 -0.24 114.94 109.91 2q5b s ASN 20 Ca -0.03 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.61 2q5b s ASN 20 Cb 0.12 -1.51 0.01 0.00 0.41 0.00 0.00 41.25 40.28 2q5b s ASN 20 CO 0.80 0.08 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.66 2q5b s VAL 21 N 0.82 1.08 -0.19 1.60 1.01 -0.53 -5.00 120.40 119.20 2q5b s VAL 21 Ca -0.06 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 2q5b s VAL 21 Cb -0.15 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2q5b s VAL 21 CO -0.01 0.34 0.06 -0.89 0.00 0.00 0.00 175.10 174.61 2q5b s THR 22 N 0.65 4.79 0.09 3.92 2.01 -1.26 -0.57 115.64 125.27 2q5b s THR 22 Ca -0.14 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2q5b s THR 22 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2q5b s THR 22 CO 0.03 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 2q5b s VAL 23 N 0.42 1.14 0.12 3.82 1.01 0.94 -4.96 120.40 122.89 2q5b s VAL 23 Ca 0.03 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.53 2q5b s VAL 23 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2q5b s VAL 23 CO 0.00 -0.37 0.13 -1.00 0.00 0.00 0.00 175.10 173.86 2q5b s HIS 24 N -1.84 3.21 0.23 5.22 3.76 -1.26 -1.07 115.29 123.54 2q5b s HIS 24 Ca 0.03 0.04 -0.31 0.00 -0.15 0.00 0.00 55.06 54.68 2q5b s HIS 24 Cb -0.07 -1.58 -0.14 0.00 1.11 0.00 0.00 32.58 31.90 2q5b s HIS 24 CO 0.02 0.52 1.18 -2.30 -0.85 0.00 0.00 174.74 173.32 2q5b n PRO 25 N -0.00 1.47 0.00 8.40 -0.02 -1.26 -1.18 135.00 142.41 2q5b n PRO 25 Ca -0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2q5b n PRO 25 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.76 2.29 3.82 -1.23 0.00 0.52 -4.99 105.19 107.37 2q5b n GLY 26 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.71 5.35 -0.04 1.61 1.01 -0.32 -4.68 116.67 117.89 2q5b s ASP 27 Ca 0.00 1.58 0.06 0.00 0.71 0.00 0.00 52.55 54.89 2q5b s ASP 27 Cb 0.00 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2q5b s ASP 27 CO 0.00 -1.46 -0.20 -0.89 0.21 0.00 0.00 175.17 172.83 2q5b s THR 28 N -3.06 2.53 -0.18 -1.27 2.01 -0.10 -0.83 115.64 114.74 2q5b s THR 28 Ca 0.58 -0.92 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 2q5b s THR 28 Cb -0.14 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2q5b s THR 28 CO 0.55 0.58 0.00 -0.69 -0.69 0.00 0.00 174.62 174.37 2q5b s VAL 29 N -0.60 4.11 -0.24 3.82 1.01 -0.07 -0.61 120.40 127.83 2q5b s VAL 29 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2q5b s VAL 29 Cb -0.11 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.47 2q5b s VAL 29 CO 0.00 0.46 -0.11 -0.75 0.00 0.00 0.00 175.10 174.70 2q5b s LYS 30 N 0.64 2.72 -0.05 2.72 2.20 0.06 -1.13 119.74 126.91 2q5b s LYS 30 Ca -0.00 -1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 54.36 2q5b s LYS 30 Cb -0.14 -2.86 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2q5b s LYS 30 CO 0.02 -0.40 0.60 -1.58 -0.36 0.00 0.00 175.35 173.63 2q5b s TRP 31 N 1.26 3.61 -0.12 4.03 0.51 0.42 -0.60 118.94 128.05 2q5b s TRP 31 Ca -0.01 1.14 0.03 0.00 -2.12 0.00 0.00 56.10 55.14 2q5b s TRP 31 Cb -0.17 -2.65 0.01 0.00 -0.81 0.00 0.00 33.47 29.85 2q5b s TRP 31 CO -0.07 0.24 -0.22 0.14 -0.51 0.00 0.00 176.95 176.53 2q5b s VAL 32 N 0.27 2.01 -0.18 4.03 -7.23 -0.09 -1.59 120.40 117.62 2q5b s VAL 32 Ca 0.32 -0.97 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 2q5b s VAL 32 Cb -0.17 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2q5b s VAL 32 CO 0.16 0.54 1.50 0.21 -0.31 0.00 0.00 175.10 177.21 2q5b s ASN 33 N 0.64 6.60 0.00 4.85 2.47 -0.10 -0.91 114.94 128.49 2q5b s ASN 33 Ca -0.12 1.71 0.00 0.00 0.42 0.00 0.00 52.86 54.87 2q5b s ASN 33 Cb -0.16 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2q5b s ASN 33 CO 0.02 -1.06 0.00 -3.20 -3.72 0.00 0.00 177.10 169.15 2q5b n ASN 34 N 7.66 0.00 -4.30 -4.21 5.15 -0.40 0.01 115.26 119.17 2q5b n ASN 34 Ca 0.17 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.89 2q5b n ASN 34 Cb 0.45 -0.03 -0.13 0.00 -0.53 0.00 0.00 39.78 39.54 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 -0.13 1.25 -1.36 1.20 -0.14 -0.98 -4.80 119.74 114.78 2q5b s LYS 35 Ca 0.00 -1.16 -0.03 0.00 -1.36 0.00 0.00 55.97 53.42 2q5b s LYS 35 Cb 0.00 -1.53 0.02 0.00 -1.68 0.00 0.00 37.83 34.64 2q5b s LYS 35 CO 0.00 0.37 0.77 1.28 -0.76 0.00 0.00 175.35 177.00 2q5b n LEU 36 N 1.21 -2.98 -4.66 3.17 4.77 -1.26 -4.20 117.00 113.05 2q5b n LEU 36 Ca -0.19 -0.81 -0.30 0.00 -0.03 0.00 0.00 56.01 54.69 2q5b n LEU 36 Cb 0.53 -2.64 0.17 0.00 -2.33 0.00 0.00 43.42 39.15 2q5b n LEU 36 CO 0.23 0.43 0.64 -2.16 -1.33 0.00 0.00 177.39 175.19 2q5b s PRO 37 N -6.13 0.77 0.49 3.23 0.04 -1.26 -4.74 135.00 127.39 2q5b s PRO 37 Ca 0.16 1.07 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 2q5b s PRO 37 Cb -0.08 -1.73 -0.07 0.00 0.04 0.00 0.00 34.50 32.66 2q5b s PRO 37 CO 0.82 -2.65 0.91 -1.25 0.04 0.00 0.00 177.00 174.86 2q5b s PRO 38 N -4.74 3.84 0.14 0.56 0.04 -1.26 -5.04 135.00 128.54 2q5b s PRO 38 Ca 0.65 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2q5b s PRO 38 Cb -0.21 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2q5b s PRO 38 CO 0.59 -0.22 -0.10 -1.01 0.04 0.00 0.00 177.00 176.29 2q5b s HIS 39 N -2.61 1.23 0.28 0.56 3.76 -0.93 -4.88 115.29 112.71 2q5b s HIS 39 Ca 0.55 -0.74 0.06 0.00 -0.15 0.00 0.00 55.06 54.79 2q5b s HIS 39 Cb -0.10 -0.64 -0.02 0.00 1.11 0.00 0.00 32.58 32.93 2q5b s HIS 39 CO 0.34 0.07 0.23 0.27 -0.85 0.00 0.00 174.74 174.80 2q5b n ASN 40 N -0.04 -0.58 -3.62 1.40 6.94 -1.26 -0.79 115.26 117.31 2q5b n ASN 40 Ca -0.11 -2.82 -0.29 0.00 -0.02 0.00 0.00 54.58 51.33 2q5b n ASN 40 Cb 0.60 1.39 -0.15 0.00 -2.36 0.00 0.00 39.78 39.26 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 -3.12 0.25 -0.18 1.53 1.01 -0.78 -4.00 121.20 115.90 2q5b s ILE 41 Ca 0.33 -0.88 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 2q5b s ILE 41 Cb 0.02 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.33 2q5b s ILE 41 CO 0.23 -0.64 -0.11 -0.76 0.00 0.00 0.00 174.94 173.66 2q5b s LEU 42 N 1.95 2.63 -0.23 2.97 1.43 0.21 -0.21 118.68 127.43 2q5b s LEU 42 Ca 0.08 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 2q5b s LEU 42 Cb -0.16 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 2q5b s LEU 42 CO -0.29 0.04 0.89 -0.36 0.23 0.00 0.00 176.35 176.85 2q5b s PHE 43 N 1.11 3.33 -0.20 0.29 0.40 -1.26 -0.27 117.98 121.38 2q5b s PHE 43 Ca 0.01 1.24 -0.29 0.00 -0.60 0.00 0.00 56.93 57.29 2q5b s PHE 43 Cb -0.14 -3.11 -0.05 0.00 0.51 0.00 0.00 43.02 40.23 2q5b s PHE 43 CO -0.03 -0.41 2.02 0.34 0.70 0.00 0.00 175.22 177.84 2q5b s ASP 44 N 1.28 5.81 0.00 1.36 -1.08 -0.50 -4.84 116.67 118.71 2q5b s ASP 44 Ca 0.38 1.85 0.18 0.00 -0.52 0.00 0.00 52.55 54.44 2q5b s ASP 44 Cb -0.15 -2.52 0.95 0.00 -1.46 0.00 0.00 42.92 39.74 2q5b s ASP 44 CO 0.07 -1.68 1.53 -0.90 0.52 0.00 0.00 175.17 174.71 2q5b n ASP 45 N 10.37 0.00 -0.98 -0.34 5.68 -1.26 0.02 116.55 130.04 2q5b n ASP 45 Ca 0.25 -0.11 0.10 0.00 -0.50 0.00 0.00 54.79 54.53 2q5b n ASP 45 Cb 0.45 -0.22 0.19 0.00 -1.14 0.00 0.00 41.12 40.40 2q5b n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2q5b n LYS 46 N -1.22 2.32 -1.68 0.11 5.02 -1.26 -3.65 118.16 117.80 2q5b n LYS 46 Ca 0.10 -2.12 -0.06 0.00 -2.02 0.00 0.00 58.31 54.20 2q5b n LYS 46 Cb 0.12 -1.43 0.08 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.21 2.12 -4.41 1.97 6.02 0.10 -4.80 117.38 119.59 2q5b n GLN 47 Ca 0.17 -3.46 -0.24 0.00 -0.01 0.00 0.00 57.00 53.46 2q5b n GLN 47 Cb 0.53 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 2q5b n GLN 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2q5b s VAL 48 N -3.35 2.19 0.25 5.09 -7.23 -1.15 -1.10 120.40 115.09 2q5b s VAL 48 Ca 0.40 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 58.12 2q5b s VAL 48 Cb 0.38 -2.10 -0.13 0.00 0.56 0.00 0.00 36.38 35.09 2q5b s VAL 48 CO -0.04 -0.31 1.47 -2.65 -0.31 0.00 0.00 175.10 173.27 2q5b n PRO 49 N -0.07 2.23 -0.93 4.82 -0.02 -1.24 -0.44 135.00 139.36 2q5b n PRO 49 Ca -0.10 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2q5b n PRO 49 Cb 0.58 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.28 0.69 4.14 -1.23 0.00 -1.26 -3.69 105.19 106.12 2q5b n GLY 50 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.42 -2.60 4.61 0.00 0.42 -4.89 120.51 117.63 2q5b n ALA 51 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2q5b n ALA 51 Cb 0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 19.45 16.26 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 -3.52 6.63 0.21 0.00 0.15 -1.24 -4.73 113.70 111.20 2q5b s SER 52 Ca 0.58 0.51 -0.09 0.00 0.70 0.00 0.00 55.95 57.64 2q5b s SER 52 Cb -0.31 -2.43 0.21 0.00 -1.71 0.00 0.00 66.02 61.78 2q5b s SER 52 CO 0.91 -0.78 1.85 0.50 1.20 0.00 0.00 173.24 176.93 2q5b h LYS 53 N 8.42 0.86 -0.74 5.44 3.64 -1.90 -2.12 116.57 130.17 2q5b h LYS 53 Ca -0.24 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2q5b h LYS 53 Cb 1.09 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 2q5b h LYS 53 CO 0.94 0.57 0.38 1.49 -2.27 0.00 0.00 179.45 180.56 2q5b h GLU 54 N 0.89 1.05 0.03 1.90 4.81 -1.96 0.71 114.58 122.00 2q5b h GLU 54 Ca 0.30 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2q5b h GLU 54 Cb 0.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.22 2q5b h GLU 54 CO -0.12 0.81 -0.01 1.25 -0.73 0.00 0.00 179.01 180.21 2q5b h LEU 55 N 1.03 -0.03 -0.98 1.64 5.85 -1.94 -2.46 115.31 118.43 2q5b h LEU 55 Ca 0.26 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2q5b h LEU 55 Cb 0.08 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2q5b h LEU 55 CO -0.04 0.14 0.64 0.00 -0.34 0.00 0.00 178.44 178.84 2q5b h ALA 56 N 0.77 1.30 -0.16 1.25 0.00 -1.09 -2.34 119.26 118.99 2q5b h ALA 56 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2q5b h ALA 56 Cb 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2q5b h ALA 56 CO 0.01 0.51 0.09 -0.44 0.00 0.00 0.00 179.25 179.41 2q5b h ASP 57 N 1.22 0.15 -0.69 0.00 3.32 -0.68 -0.88 116.42 118.85 2q5b h ASP 57 Ca 0.39 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 2q5b h ASP 57 Cb 0.03 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2q5b h ASP 57 CO -0.13 0.11 0.30 0.11 -1.72 0.00 0.00 179.24 177.91 2q5b h LYS 58 N 0.19 1.05 0.00 3.56 1.57 -1.21 -3.16 116.57 118.58 2q5b h LYS 58 Ca 0.06 -0.17 -0.22 0.00 -1.87 0.00 0.00 60.65 58.45 2q5b h LYS 58 Cb -0.00 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2q5b h LYS 58 CO -0.03 0.84 -1.05 -0.07 -0.57 0.00 0.00 179.45 178.57 2q5b h LEU 59 N 1.03 0.01 -9.75 2.94 3.38 -1.14 -3.46 115.31 108.32 2q5b h LEU 59 Ca 0.24 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.68 2q5b h LEU 59 Cb 0.18 -0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.96 2q5b h LEU 59 CO -0.02 1.01 0.62 -0.44 0.09 0.00 0.00 178.44 179.70 2q5b s SER 60 N -6.68 6.92 -0.92 -0.43 0.01 -0.36 -4.91 113.70 107.33 2q5b s SER 60 Ca 0.01 2.45 -0.06 0.00 1.31 0.00 0.00 55.95 59.65 2q5b s SER 60 Cb 0.10 -2.62 0.23 0.00 0.21 0.00 0.00 66.02 63.94 2q5b s SER 60 CO 0.82 -0.47 0.84 -2.28 0.41 0.00 0.00 173.24 172.56 2q5b s HIS 61 N -0.39 3.93 0.23 2.43 2.46 0.71 -4.91 115.29 119.75 2q5b s HIS 61 Ca 0.53 -2.72 0.21 0.00 0.47 0.00 0.00 55.06 53.56 2q5b s HIS 61 Cb -0.37 -3.52 0.90 0.00 -0.13 0.00 0.00 32.58 29.47 2q5b s HIS 61 CO 0.42 -0.86 1.83 0.66 -2.47 0.00 0.00 174.74 174.33 2q5b h SER 62 N 6.64 0.00 -3.99 9.88 4.64 -1.94 -2.08 113.55 126.69 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 0.89 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.06 2q5b h SER 62 CO 0.87 0.28 0.54 -1.10 -0.87 0.00 0.00 176.83 176.55 2q5b s GLN 63 N -3.79 3.71 0.18 4.77 -0.21 -1.26 -4.85 119.66 118.22 2q5b s GLN 63 Ca -0.01 1.96 -0.30 0.00 0.02 0.00 0.00 55.36 57.03 2q5b s GLN 63 Cb 0.11 -2.48 -0.08 0.00 1.00 0.00 0.00 33.01 31.57 2q5b s GLN 63 CO 0.66 -0.64 1.03 -0.51 -2.12 0.00 0.00 175.29 173.71 2q5b s LEU 64 N -2.94 4.53 -0.30 2.90 1.43 -1.26 -4.68 118.68 118.36 2q5b s LEU 64 Ca 0.63 2.00 -0.09 0.00 -1.03 0.00 0.00 54.13 55.65 2q5b s LEU 64 Cb -0.33 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.28 2q5b s LEU 64 CO 0.41 -0.10 0.12 -0.04 0.23 0.00 0.00 176.35 176.97 2q5b s MET 65 N -0.53 3.27 -0.05 1.70 -1.94 0.03 -4.94 119.30 116.84 2q5b s MET 65 Ca 0.47 -0.75 0.16 0.00 -1.71 0.00 0.00 55.69 53.85 2q5b s MET 65 Cb -0.27 -3.49 -0.24 0.00 2.01 0.00 0.00 34.83 32.84 2q5b s MET 65 CO 0.34 -0.41 0.29 1.19 -0.01 0.00 0.00 175.02 176.41 2q5b n PHE 66 N 4.94 0.00 -3.30 -0.03 3.01 -1.26 -2.19 117.46 118.64 2q5b n PHE 66 Ca -0.14 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 57.91 2q5b n PHE 66 Cb 0.49 -0.45 -0.08 0.00 -0.01 0.00 0.00 39.48 39.43 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 -4.08 6.31 0.34 4.37 0.15 -1.26 -4.81 113.70 114.71 2q5b s SER 67 Ca -0.06 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.43 2q5b s SER 67 Cb 0.09 -2.25 -0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2q5b s SER 67 CO 0.66 -0.35 1.44 -2.65 1.20 0.00 0.00 173.24 173.53 2q5b n PRO 68 N 5.56 2.44 0.00 5.44 -0.02 -1.26 -2.48 135.00 144.68 2q5b n PRO 68 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2q5b n PRO 68 Cb 0.50 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 1.06 3.13 3.76 -1.23 0.00 0.10 -4.97 105.19 107.05 2q5b n GLY 69 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2q5b n GLY 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q5b s GLU 70 N -0.82 2.63 0.07 1.61 -1.05 -1.03 -4.71 118.70 115.40 2q5b s GLU 70 Ca 0.00 1.49 0.01 0.00 -0.15 0.00 0.00 54.97 56.31 2q5b s GLU 70 Cb 0.00 -1.92 -0.04 0.00 -0.44 0.00 0.00 34.13 31.73 2q5b s GLU 70 CO 0.00 -1.40 -0.05 -1.54 0.95 0.00 0.00 175.26 173.22 2q5b s SER 71 N -2.43 0.85 -0.03 0.83 1.04 -1.26 -0.93 113.70 111.78 2q5b s SER 71 Ca 0.69 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2q5b s SER 71 Cb -0.23 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.04 2q5b s SER 71 CO 0.42 -0.48 -0.01 -0.47 0.98 0.00 0.00 173.24 173.67 2q5b s TYR 72 N -3.43 0.40 0.04 5.02 5.04 -0.62 -4.98 117.35 118.81 2q5b s TYR 72 Ca 0.07 -0.05 0.08 0.00 -2.44 0.00 0.00 57.07 54.73 2q5b s TYR 72 Cb 0.04 -0.43 -0.03 0.00 0.35 0.00 0.00 41.96 41.90 2q5b s TYR 72 CO -0.06 -0.12 -0.24 -1.21 -1.34 0.00 0.00 175.55 172.58 2q5b s GLU 73 N 0.82 1.64 -0.09 4.97 2.02 -1.26 -0.43 118.70 126.36 2q5b s GLU 73 Ca -0.09 -1.02 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2q5b s GLU 73 Cb -0.12 -1.77 0.01 0.00 0.10 0.00 0.00 34.13 32.35 2q5b s GLU 73 CO -0.01 0.46 -0.16 0.42 0.02 0.00 0.00 175.26 175.99 2q5b s ILE 74 N -0.78 1.49 -0.28 -1.63 1.01 -0.28 -5.00 121.20 115.72 2q5b s ILE 74 Ca 0.10 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 2q5b s ILE 74 Cb -0.09 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2q5b s ILE 74 CO 0.02 0.44 0.25 -0.89 0.00 0.00 0.00 174.94 174.76 2q5b s THR 75 N 0.79 5.26 -1.35 2.92 2.01 -1.26 -0.89 115.64 123.12 2q5b s THR 75 Ca -0.11 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 2q5b s THR 75 Cb -0.16 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 68.87 2q5b s THR 75 CO 0.02 0.20 2.06 0.49 -0.69 0.00 0.00 174.62 176.70 2q5b n PHE 76 N 5.16 3.08 -0.72 4.92 3.01 -0.01 -4.95 117.46 127.94 2q5b n PHE 76 Ca -0.12 -2.86 -0.30 0.00 1.01 0.00 0.00 57.45 55.18 2q5b n PHE 76 Cb 0.51 -2.16 0.26 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 1.63 0.00 0.28 4.37 1.04 -1.26 -0.35 113.70 119.41 2q5b s SER 77 Ca 0.44 0.80 0.23 0.00 0.48 0.00 0.00 55.95 57.89 2q5b s SER 77 Cb 0.12 -1.14 1.05 0.00 0.10 0.00 0.00 66.02 66.15 2q5b s SER 77 CO -0.03 -4.70 1.69 -1.54 0.98 0.00 0.00 173.24 169.63 2q5b n SER 78 N -5.18 0.62 0.14 7.02 3.41 -1.26 -1.08 113.62 117.29 2q5b n SER 78 Ca 0.12 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.56 2q5b n SER 78 Cb 0.59 -0.82 0.46 0.00 -0.26 0.00 0.00 64.21 64.19 2q5b n SER 78 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2q5b h ASP 79 N 0.00 0.00 -3.40 4.04 3.32 -1.97 -3.43 116.42 114.98 2q5b h ASP 79 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 2q5b h ASP 79 Cb 0.22 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.67 2q5b h ASP 79 CO 0.00 0.00 -0.14 -0.36 -1.72 0.00 0.00 179.24 177.02 2q5b s PHE 80 N -3.26 3.43 0.62 4.55 2.99 -0.25 -5.06 117.98 121.00 2q5b s PHE 80 Ca 0.06 0.76 -0.18 0.00 0.00 0.00 0.00 56.93 57.57 2q5b s PHE 80 Cb 0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 43.02 40.53 2q5b s PHE 80 CO 0.49 0.05 1.20 -1.25 -0.00 0.00 0.00 175.22 175.71 2q5b s PRO 81 N 1.09 2.85 0.61 0.24 0.04 -1.26 -4.88 135.00 133.70 2q5b s PRO 81 Ca 0.23 1.80 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 2q5b s PRO 81 Cb -0.15 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2q5b s PRO 81 CO 0.09 -1.30 1.11 0.00 0.04 0.00 0.00 177.00 176.94 2q5b s ALA 82 N -1.68 2.58 0.00 8.56 0.00 -1.26 -4.90 121.76 125.06 2q5b s ALA 82 Ca 0.77 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2q5b s ALA 82 Cb -0.30 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2q5b s ALA 82 CO 0.35 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2q5b n GLY 83 N -0.38 0.71 3.83 0.00 0.00 -0.37 -4.82 105.19 104.15 2q5b n GLY 83 Ca 0.10 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.34 5.24 -0.28 2.61 -4.23 -1.26 -0.87 115.64 115.51 2q5b s THR 84 Ca 0.00 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.64 2q5b s THR 84 Cb 0.00 -3.27 0.08 0.00 1.34 0.00 0.00 72.50 70.64 2q5b s THR 84 CO 0.00 0.61 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.35 2q5b s TYR 85 N -0.97 3.12 -0.10 3.99 1.51 0.56 -3.60 117.35 121.86 2q5b s TYR 85 Ca 0.14 -2.38 -0.13 0.00 -1.01 0.00 0.00 57.07 53.69 2q5b s TYR 85 Cb -0.12 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.52 2q5b s TYR 85 CO 0.04 -0.88 0.32 0.99 -1.11 0.00 0.00 175.55 174.91 2q5b s THR 86 N 1.14 5.24 0.17 -0.71 2.01 -0.26 -0.97 115.64 122.26 2q5b s THR 86 Ca -0.00 0.63 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2q5b s THR 86 Cb -0.19 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2q5b s THR 86 CO -0.08 0.48 0.02 -0.72 -0.69 0.00 0.00 174.62 173.63 2q5b s TYR 87 N -0.23 1.16 0.13 4.92 1.13 -0.08 -1.41 117.35 122.97 2q5b s TYR 87 Ca 0.19 -1.07 -0.09 0.00 -1.41 0.00 0.00 57.07 54.69 2q5b s TYR 87 Cb -0.14 -0.66 -0.00 0.00 -1.10 0.00 0.00 41.96 40.06 2q5b s TYR 87 CO 0.07 -0.28 0.25 1.52 -2.51 0.00 0.00 175.55 174.61 2q5b s TYR 88 N -3.74 0.26 -0.25 -3.49 1.13 0.63 -0.37 117.35 111.53 2q5b s TYR 88 Ca 0.25 -0.65 -0.13 0.00 -1.41 0.00 0.00 57.07 55.12 2q5b s TYR 88 Cb 0.06 -0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 2q5b s TYR 88 CO 0.04 -0.65 0.28 0.00 -2.51 0.00 0.00 175.55 172.71 2q5b h ALA 90 N 7.83 -0.37 -0.07 0.00 0.00 -1.90 0.81 119.26 125.57 2q5b h ALA 90 Ca -0.35 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2q5b h ALA 90 Cb 1.17 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2q5b h ALA 90 CO 0.64 -0.71 0.07 -1.00 0.00 0.00 0.00 179.25 178.26 2q5b h PRO 91 N -0.37 0.00 -0.01 0.00 0.13 -1.95 -2.98 132.00 126.82 2q5b h PRO 91 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2q5b h PRO 91 Cb 0.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.42 2q5b h PRO 91 CO 0.05 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.54 2q5b n HIS 92 N -3.93 0.04 -0.10 1.56 8.25 -1.08 -4.75 115.22 115.21 2q5b n HIS 92 Ca -0.01 -0.96 -0.06 0.00 -0.26 0.00 0.00 57.72 56.43 2q5b n HIS 92 Cb 0.17 -0.15 0.02 0.00 1.12 0.00 0.00 29.99 31.15 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 0.08 0.24 0.00 -0.41 2.43 -0.67 -1.51 114.38 114.53 2q5b h ARG 93 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2q5b h ARG 93 Cb 0.98 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2q5b h ARG 93 CO 0.01 0.16 0.00 0.78 -1.51 0.00 0.00 179.97 179.41 2q5b h GLY 94 N 0.25 0.00 0.75 2.80 0.00 -1.85 -2.09 103.07 102.93 2q5b h GLY 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2q5b h GLY 94 CO -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 176.54 176.10 2q5b n ALA 95 N -1.84 3.05 -0.05 3.60 0.00 -0.62 -4.93 120.51 119.72 2q5b n ALA 95 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2q5b n ALA 95 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 1.38 0.97 3.56 0.00 0.00 -0.78 -4.93 105.19 105.39 2q5b n GLY 96 Ca 0.11 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.37 3.84 0.01 1.61 -2.45 -0.90 -4.88 119.30 116.15 2q5b s MET 97 Ca 0.00 -1.71 0.02 0.00 -1.25 0.00 0.00 55.69 52.75 2q5b s MET 97 Cb 0.00 -5.42 -0.01 0.00 1.25 0.00 0.00 34.83 30.65 2q5b s MET 97 CO 0.00 -2.19 -0.05 0.08 1.05 0.00 0.00 175.02 173.90 2q5b s VAL 98 N 4.28 0.40 0.23 10.11 1.01 -1.26 -1.37 120.40 133.80 2q5b s VAL 98 Ca 0.50 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2q5b s VAL 98 Cb 0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2q5b s VAL 98 CO 0.00 -0.01 0.16 -0.83 0.00 0.00 0.00 175.10 174.42 2q5b s GLY 99 N -0.46 1.66 -0.07 4.51 0.00 0.50 -4.62 107.32 108.85 2q5b s GLY 99 Ca -0.01 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 42.89 2q5b s GLY 99 CO -0.00 -1.44 0.16 1.25 0.00 0.00 0.00 173.10 173.07 2q5b s LYS 100 N -4.00 0.13 -0.19 2.90 2.20 0.67 -0.90 119.74 120.55 2q5b s LYS 100 Ca 0.39 0.36 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 2q5b s LYS 100 Cb 0.06 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 2q5b s LYS 100 CO 0.15 -0.13 -0.02 0.42 -0.36 0.00 0.00 175.35 175.40 2q5b s ILE 101 N 0.96 3.80 -0.24 5.43 -1.09 -0.14 -1.45 121.20 128.47 2q5b s ILE 101 Ca -0.07 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 57.91 2q5b s ILE 101 Cb -0.09 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.06 2q5b s ILE 101 CO -0.05 0.45 0.06 -0.89 -1.23 0.00 0.00 174.94 173.28 2q5b s THR 102 N 0.86 4.28 -0.32 2.92 2.01 0.26 -0.32 115.64 125.34 2q5b s THR 102 Ca -0.00 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.67 2q5b s THR 102 Cb -0.14 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2q5b s THR 102 CO 0.02 0.35 0.35 -0.69 -0.69 0.00 0.00 174.62 173.96 2q5b s VAL 103 N 1.50 5.18 0.58 3.82 1.01 -0.05 -0.04 120.40 132.40 2q5b s VAL 103 Ca 0.06 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 2q5b s VAL 103 Cb -0.15 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2q5b s VAL 103 CO 0.03 0.01 1.05 -1.61 0.00 0.00 0.00 175.10 174.58 2q5b s GLU 104 N 2.01 3.40 0.00 2.72 2.02 -0.23 -1.24 118.70 127.37 2q5b s GLU 104 Ca 0.12 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.33 2q5b s GLU 104 Cb -0.16 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2q5b s GLU 104 CO 0.11 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 175.05