#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3p s VAL 11 N 0.00 1.94 -0.16 0.52 1.01 -0.39 -4.09 120.40 119.23 2q3p s VAL 11 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.90 2q3p s VAL 11 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2q3p s VAL 11 CO 0.00 0.54 0.03 -0.54 0.00 0.00 0.00 175.10 175.14 2q3p s LYS 12 N -0.30 3.80 -0.48 2.72 1.02 -0.47 -1.19 119.74 124.84 2q3p s LYS 12 Ca 0.01 -0.38 -0.13 0.00 0.02 0.00 0.00 55.97 55.49 2q3p s LYS 12 Cb -0.12 -3.10 0.10 0.00 -0.52 0.00 0.00 37.83 34.19 2q3p s LYS 12 CO 0.02 0.32 0.39 -1.58 -0.92 0.00 0.00 175.35 173.58 2q3p s HIS 13 N 0.21 3.30 -0.24 3.18 5.65 0.37 -2.33 115.29 125.43 2q3p s HIS 13 Ca 0.02 -1.34 -0.10 0.00 0.25 0.00 0.00 55.06 53.89 2q3p s HIS 13 Cb -0.13 -3.37 -0.05 0.00 -1.18 0.00 0.00 32.58 27.85 2q3p s HIS 13 CO 0.01 -0.91 0.15 0.08 -0.65 0.00 0.00 174.74 173.42 2q3p s VAL 14 N 1.53 5.28 -0.10 0.89 1.01 -1.06 -1.25 120.40 126.69 2q3p s VAL 14 Ca 0.04 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2q3p s VAL 14 Cb -0.26 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2q3p s VAL 14 CO 0.03 0.35 -0.15 -0.22 0.00 0.00 0.00 175.10 175.12 2q3p s LEU 15 N 1.02 1.71 -0.03 3.92 0.20 0.87 -1.88 118.68 124.48 2q3p s LEU 15 Ca 0.07 -0.40 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 2q3p s LEU 15 Cb -0.13 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 2q3p s LEU 15 CO 0.04 0.02 0.08 -0.76 -0.29 0.00 0.00 176.35 175.44 2q3p s LEU 16 N 0.90 3.90 0.13 -0.68 1.43 -0.02 -0.10 118.68 124.24 2q3p s LEU 16 Ca -0.09 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 2q3p s LEU 16 Cb -0.15 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2q3p s LEU 16 CO 0.00 0.30 0.05 0.00 0.23 0.00 0.00 176.35 176.93 2q3p s ALA 17 N -1.13 0.88 -0.03 4.21 0.00 -0.23 -1.53 121.76 123.92 2q3p s ALA 17 Ca 0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2q3p s ALA 17 Cb -0.12 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.83 2q3p s ALA 17 CO 0.11 -0.47 0.04 0.45 0.00 0.00 0.00 175.76 175.89 2q3p s SER 18 N -3.05 0.65 0.18 0.00 0.15 0.15 -2.44 113.70 109.34 2q3p s SER 18 Ca 0.23 0.04 -0.26 0.00 0.70 0.00 0.00 55.95 56.66 2q3p s SER 18 Cb 0.07 -0.14 -0.08 0.00 -1.71 0.00 0.00 66.02 64.16 2q3p s SER 18 CO 0.01 -0.18 0.82 -0.36 1.20 0.00 0.00 173.24 174.73 2q3p s PHE 19 N 1.58 3.93 0.82 3.44 0.08 -1.26 0.28 117.98 126.85 2q3p s PHE 19 Ca -0.02 1.70 -0.10 0.00 0.12 0.00 0.00 56.93 58.64 2q3p s PHE 19 Cb -0.13 -2.82 0.13 0.00 -0.57 0.00 0.00 43.02 39.64 2q3p s PHE 19 CO -0.03 0.50 1.15 -1.59 -0.10 0.00 0.00 175.22 175.15 2q3p s LYS 20 N -1.14 1.43 0.11 0.44 -2.85 -0.96 -4.42 119.74 112.35 2q3p s LYS 20 Ca 0.37 -0.48 -0.31 0.00 -1.00 0.00 0.00 55.97 54.55 2q3p s LYS 20 Cb -0.24 -2.06 -0.09 0.00 -2.06 0.00 0.00 37.83 33.38 2q3p s LYS 20 CO 0.28 -1.79 1.67 -0.51 0.10 0.00 0.00 175.35 175.09 2q3p s ASP 21 N -4.72 6.56 0.00 0.03 1.01 -1.26 -2.93 116.67 115.36 2q3p s ASP 21 Ca 0.67 2.58 0.00 0.00 0.71 0.00 0.00 52.55 56.51 2q3p s ASP 21 Cb -0.07 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.29 2q3p s ASP 21 CO 0.48 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.58 2q3p n GLY 22 N 3.98 0.87 3.63 0.21 0.00 -1.26 -5.09 105.19 107.53 2q3p n GLY 22 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2q3p n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3p s VAL 23 N -2.00 5.30 0.54 1.61 1.01 -1.15 -5.09 120.40 120.62 2q3p s VAL 23 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2q3p s VAL 23 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.81 2q3p s VAL 23 CO 0.00 0.28 0.84 -0.94 0.00 0.00 0.00 175.10 175.28 2q3p s SER 24 N 1.38 5.91 0.47 3.32 1.04 -1.26 -4.96 113.70 119.60 2q3p s SER 24 Ca 0.09 0.81 0.12 0.00 0.48 0.00 0.00 55.95 57.45 2q3p s SER 24 Cb -0.15 -1.95 1.09 0.00 0.10 0.00 0.00 66.02 65.10 2q3p s SER 24 CO 0.08 -0.83 2.10 -0.65 0.98 0.00 0.00 173.24 174.92 2q3p h PRO 25 N 0.02 0.22 0.07 4.02 0.11 -2.00 -1.65 132.00 132.79 2q3p h PRO 25 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2q3p h PRO 25 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2q3p h PRO 25 CO 0.61 0.16 -0.04 0.93 -0.21 0.00 0.00 178.00 179.45 2q3p h GLU 26 N 0.22 -0.09 0.00 1.05 3.07 -2.00 -2.71 114.58 114.11 2q3p h GLU 26 Ca 0.06 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2q3p h GLU 26 Cb -0.00 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 2q3p h GLU 26 CO -0.01 0.24 -0.00 -0.22 -1.40 0.00 0.00 179.01 177.62 2q3p h LYS 27 N -0.44 0.00 0.38 2.33 1.63 -1.72 -1.55 116.57 117.20 2q3p h LYS 27 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2q3p h LYS 27 Cb 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2q3p h LYS 27 CO 0.02 0.00 -0.18 0.82 -3.45 0.00 0.00 179.45 176.65 2q3p h ILE 28 N 0.00 0.00 -0.14 2.00 2.04 -1.04 -0.90 117.51 119.47 2q3p h ILE 28 Ca -0.00 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.42 2q3p h ILE 28 Cb 0.00 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 2q3p h ILE 28 CO 0.00 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.98 2q3p h GLU 29 N -0.99 0.00 -0.12 2.37 4.39 -1.31 0.80 114.58 119.72 2q3p h GLU 29 Ca -0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2q3p h GLU 29 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2q3p h GLU 29 CO 0.09 0.00 -0.13 1.49 -1.16 0.00 0.00 179.01 179.30 2q3p h GLU 30 N 0.00 0.30 -0.13 2.33 4.81 -1.23 -2.69 114.58 117.97 2q3p h GLU 30 Ca 0.07 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2q3p h GLU 30 Cb 0.39 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2q3p h GLU 30 CO -0.00 0.71 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.80 2q3p h LEU 31 N -0.10 0.33 -1.91 1.64 3.38 0.41 -2.74 115.31 116.33 2q3p h LEU 31 Ca 0.02 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.62 2q3p h LEU 31 Cb 0.66 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2q3p h LEU 31 CO 0.03 0.73 0.30 0.40 0.09 0.00 0.00 178.44 179.99 2q3p h ILE 32 N -0.07 0.84 -0.05 1.22 2.04 -1.01 0.14 117.51 120.61 2q3p h ILE 32 Ca 0.02 -0.03 -0.25 0.00 1.00 0.00 0.00 64.86 65.60 2q3p h ILE 32 Cb 0.63 0.73 0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2q3p h ILE 32 CO 0.03 0.02 -0.95 0.11 0.00 0.00 0.00 178.15 177.36 2q3p h LYS 33 N 0.10 0.72 -0.03 2.37 1.57 -1.40 -2.22 116.57 117.68 2q3p h LYS 33 Ca 0.20 -0.70 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2q3p h LYS 33 Cb 0.66 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 2q3p h LYS 33 CO -0.02 1.29 0.00 0.78 -0.57 0.00 0.00 179.45 180.93 2q3p h GLY 34 N 0.51 0.05 0.59 3.86 0.00 -0.67 0.13 103.07 107.53 2q3p h GLY 34 Ca -0.10 -0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.23 2q3p h GLY 34 CO 0.19 0.03 -0.14 -1.82 0.00 0.00 0.00 176.54 174.80 2q3p h TYR 35 N -0.24 -0.35 -0.81 5.60 -0.00 -0.92 -1.45 116.97 118.80 2q3p h TYR 35 Ca 0.01 0.02 0.05 0.00 -0.00 0.00 0.00 58.73 58.80 2q3p h TYR 35 Cb 0.30 0.17 -0.05 0.00 -0.00 0.00 0.00 36.73 37.14 2q3p h TYR 35 CO 0.02 -0.20 0.53 0.00 -0.00 0.00 0.00 178.16 178.51 2q3p h ALA 36 N 0.80 1.55 -0.19 1.82 0.00 -1.35 -1.39 119.26 120.50 2q3p h ALA 36 Ca 0.07 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2q3p h ALA 36 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2q3p h ALA 36 CO -0.18 0.35 0.19 -0.97 0.00 0.00 0.00 179.25 178.64 2q3p h ASN 37 N 0.95 0.00 0.00 0.00 -1.24 0.37 -1.34 115.58 114.32 2q3p h ASN 37 Ca 0.33 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.34 2q3p h ASN 37 Cb 0.12 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.17 2q3p h ASN 37 CO -0.11 0.00 0.15 -0.07 -1.29 0.00 0.00 177.43 176.11 2q3p h LEU 38 N 0.00 0.00 0.03 0.34 3.38 -1.07 0.85 115.31 118.84 2q3p h LEU 38 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2q3p h LEU 38 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2q3p h LEU 38 CO -0.00 0.00 -0.02 0.58 0.09 0.00 0.00 178.44 179.09 2q3p h VAL 39 N 0.00 1.07 0.64 1.22 2.07 -1.43 0.45 116.25 120.27 2q3p h VAL 39 Ca 0.00 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2q3p h VAL 39 Cb 0.30 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2q3p h VAL 39 CO 0.00 0.08 -0.31 0.78 0.02 0.00 0.00 177.57 178.14 2q3p h ASN 40 N -0.18 -0.75 0.23 0.57 2.35 -1.04 -3.35 115.58 113.42 2q3p h ASN 40 Ca -0.00 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2q3p h ASN 40 Cb 0.16 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 2q3p h ASN 40 CO 0.01 -0.53 -0.14 -0.07 -1.65 0.00 0.00 177.43 175.04 2q3p h LEU 41 N -0.87 -0.37 -8.88 1.61 3.38 -1.45 -3.42 115.31 105.32 2q3p h LEU 41 Ca -0.09 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.34 2q3p h LEU 41 Cb 0.67 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2q3p h LEU 41 CO 0.14 -0.22 0.93 -0.63 0.09 0.00 0.00 178.44 178.75 2q3p s ILE 42 N -3.85 4.25 0.16 1.22 1.01 0.14 -4.97 121.20 119.17 2q3p s ILE 42 Ca -0.06 1.38 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 2q3p s ILE 42 Cb 0.01 -4.37 0.05 0.00 0.01 0.00 0.00 42.46 38.16 2q3p s ILE 42 CO 0.17 -0.65 1.60 -0.08 0.00 0.00 0.00 174.94 175.98 2q3p h GLU 43 N 9.03 -0.26 -4.44 2.79 4.57 -1.82 -3.44 114.58 121.01 2q3p h GLU 43 Ca -0.24 0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 57.72 2q3p h GLU 43 Cb 1.08 0.06 0.06 0.00 -0.16 0.00 0.00 28.75 29.79 2q3p h GLU 43 CO 1.06 -0.17 1.09 -0.35 -1.18 0.00 0.00 179.01 179.46 2q3p n PRO 44 N -5.42 0.00 0.00 0.92 -0.04 -1.26 -5.07 135.00 124.13 2q3p n PRO 44 Ca 0.01 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2q3p n PRO 44 Cb 0.34 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2q3p n PRO 44 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2q3p n LYS 46 N 6.07 0.00 -3.63 0.54 4.76 -0.59 -4.46 118.16 120.85 2q3p n LYS 46 Ca 0.19 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 2q3p n LYS 46 Cb 0.18 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.31 2q3p n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2q3p s ALA 47 N -0.74 -1.11 -0.06 7.82 0.00 -1.26 -4.95 121.76 121.47 2q3p s ALA 47 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2q3p s ALA 47 Cb 0.00 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.53 2q3p s ALA 47 CO 0.00 -0.48 0.14 0.12 0.00 0.00 0.00 175.76 175.54 2q3p s PHE 48 N -2.51 -0.16 0.04 0.00 5.36 -1.26 -1.11 117.98 118.34 2q3p s PHE 48 Ca -0.05 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.37 2q3p s PHE 48 Cb -0.01 -0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.57 2q3p s PHE 48 CO -0.03 -0.15 -0.02 -1.01 -1.46 0.00 0.00 175.22 172.55 2q3p s HIS 49 N 1.05 0.39 0.33 10.12 3.76 -0.06 -5.02 115.29 125.87 2q3p s HIS 49 Ca -0.08 -0.81 0.07 0.00 -0.15 0.00 0.00 55.06 54.09 2q3p s HIS 49 Cb -0.10 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.27 2q3p s HIS 49 CO -0.05 -0.30 0.27 1.67 -0.85 0.00 0.00 174.74 175.47 2q3p s TRP 50 N -2.83 1.75 -0.16 1.40 1.48 -1.26 -0.76 118.94 118.56 2q3p s TRP 50 Ca -0.03 -1.64 -0.30 0.00 -1.06 0.00 0.00 56.10 53.07 2q3p s TRP 50 Cb 0.00 -0.74 0.13 0.00 -1.16 0.00 0.00 33.47 31.70 2q3p s TRP 50 CO -0.06 -0.84 0.99 0.20 -4.06 0.00 0.00 176.95 173.19 2q3p s GLY 51 N -3.38 -0.27 -0.14 3.67 0.00 -0.34 -4.98 107.32 101.88 2q3p s GLY 51 Ca 0.40 2.01 -0.05 0.00 0.00 0.00 0.00 44.72 47.07 2q3p s GLY 51 CO 0.27 1.02 0.05 1.25 0.00 0.00 0.00 173.10 175.68 2q3p s LYS 52 N -1.15 3.52 0.18 2.90 2.20 -1.26 -0.57 119.74 125.56 2q3p s LYS 52 Ca -0.02 -0.33 -0.32 0.00 -0.36 0.00 0.00 55.97 54.94 2q3p s LYS 52 Cb -0.00 -3.05 -0.11 0.00 -1.51 0.00 0.00 37.83 33.15 2q3p s LYS 52 CO 0.01 0.52 1.72 0.34 -0.36 0.00 0.00 175.35 177.59 2q3p s ASP 53 N -0.34 6.42 -0.12 1.43 2.15 0.29 -4.89 116.67 121.61 2q3p s ASP 53 Ca 0.08 2.80 0.14 0.00 0.43 0.00 0.00 52.55 56.01 2q3p s ASP 53 Cb -0.12 -2.59 0.31 0.00 -0.30 0.00 0.00 42.92 40.21 2q3p s ASP 53 CO 0.02 -0.96 1.15 1.33 -0.17 0.00 0.00 175.17 176.54 2q3p n VAL 54 N 4.17 1.51 -0.91 1.11 0.24 -1.26 -5.00 118.33 118.18 2q3p n VAL 54 Ca 0.16 -2.12 -0.31 0.00 -2.04 0.00 0.00 64.34 60.03 2q3p n VAL 54 Cb 0.36 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 32.88 2q3p n VAL 54 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2q3p s SER 55 N -2.63 3.47 -0.03 -1.34 1.04 -1.26 -4.99 113.70 107.97 2q3p s SER 55 Ca 0.30 2.09 0.04 0.00 0.48 0.00 0.00 55.95 58.85 2q3p s SER 55 Cb 0.28 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 2q3p s SER 55 CO -0.03 -2.73 0.04 -0.38 0.98 0.00 0.00 173.24 171.11 2q3p n ILE 56 N -3.93 0.19 0.16 -1.02 5.41 -1.26 -4.72 119.36 114.20 2q3p n ILE 56 Ca 0.11 -0.15 0.09 0.00 1.00 0.00 0.00 62.75 63.81 2q3p n ILE 56 Cb 0.52 -0.53 0.50 0.00 -0.71 0.00 0.00 39.64 39.42 2q3p n ILE 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2q3p n GLU 57 N -2.00 0.12 -3.54 0.38 1.02 -1.26 -4.83 120.64 110.52 2q3p n GLU 57 Ca -0.05 0.61 -0.22 0.00 -0.02 0.00 0.00 57.16 57.48 2q3p n GLU 57 Cb 0.48 -1.99 0.08 0.00 -0.02 0.00 0.00 31.44 29.99 2q3p n GLU 57 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2q3p n ASN 58 N -2.16 -5.18 -0.07 1.62 5.15 -1.26 -4.90 115.26 108.46 2q3p n ASN 58 Ca -0.01 -0.55 0.01 0.00 -0.60 0.00 0.00 54.58 53.42 2q3p n ASN 58 Cb 0.13 -5.01 0.01 0.00 -0.53 0.00 0.00 39.78 34.38 2q3p n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2q3p n LEU 59 N -4.73 1.67 0.29 1.20 4.77 -1.26 -4.70 117.00 114.25 2q3p n LEU 59 Ca -0.07 -1.56 0.14 0.00 -0.03 0.00 0.00 56.01 54.49 2q3p n LEU 59 Cb 0.59 -0.02 0.86 0.00 -2.33 0.00 0.00 43.42 42.53 2q3p n LEU 59 CO 0.63 0.41 1.11 1.12 -1.33 0.00 0.00 177.39 179.33 2q3p h HIS 60 N 0.26 0.00 -4.70 -1.77 2.07 -1.90 -3.47 115.15 105.64 2q3p h HIS 60 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 2q3p h HIS 60 Cb 0.32 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.39 2q3p h HIS 60 CO 0.02 0.01 -0.57 1.04 -3.07 0.00 0.00 177.93 175.35 2q3p n GLN 61 N -3.94 -5.84 -0.03 5.12 1.13 -1.26 -2.76 117.38 109.80 2q3p n GLN 61 Ca -0.03 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 2q3p n GLN 61 Cb 0.09 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 24.98 2q3p n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2q3p n GLY 62 N -1.66 1.08 3.85 1.08 0.00 -1.26 -5.05 105.19 103.24 2q3p n GLY 62 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2q3p n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q3p s TYR 63 N -2.41 3.58 0.00 1.61 2.02 -1.11 -4.67 117.35 116.37 2q3p s TYR 63 Ca 0.00 0.95 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 2q3p s TYR 63 Cb 0.00 -2.28 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 2q3p s TYR 63 CO 0.00 0.45 0.00 0.25 -1.57 0.00 0.00 175.55 174.68 2q3p n THR 64 N 0.75 0.00 -4.11 -0.71 -2.24 -1.02 -4.86 114.28 102.09 2q3p n THR 64 Ca -0.06 -0.17 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 2q3p n THR 64 Cb 0.52 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.62 2q3p n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2q3p s HIS 65 N -0.33 0.39 -0.01 4.78 3.76 -1.16 0.10 115.29 122.82 2q3p s HIS 65 Ca 0.00 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 54.91 2q3p s HIS 65 Cb 0.00 -0.25 -0.02 0.00 1.11 0.00 0.00 32.58 33.42 2q3p s HIS 65 CO 0.00 -0.01 -0.23 -1.50 -0.85 0.00 0.00 174.74 172.15 2q3p s ILE 66 N -0.09 1.84 -0.08 0.60 2.07 0.27 -1.07 121.20 124.74 2q3p s ILE 66 Ca 0.02 -1.03 0.01 0.00 -1.41 0.00 0.00 60.65 58.23 2q3p s ILE 66 Cb -0.02 -1.54 0.02 0.00 0.13 0.00 0.00 42.46 41.05 2q3p s ILE 66 CO -0.00 0.49 -0.08 -0.36 -1.91 0.00 0.00 174.94 173.08 2q3p s PHE 67 N -0.58 1.29 -0.08 3.50 0.08 0.85 -1.20 117.98 121.85 2q3p s PHE 67 Ca 0.09 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.63 2q3p s PHE 67 Cb -0.09 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.31 2q3p s PHE 67 CO -0.01 -0.37 -0.19 -2.00 -0.10 0.00 0.00 175.22 172.56 2q3p s GLU 68 N 1.27 2.37 0.18 0.44 2.12 0.06 -0.09 118.70 125.04 2q3p s GLU 68 Ca -0.04 -0.67 0.09 0.00 0.36 0.00 0.00 54.97 54.71 2q3p s GLU 68 Cb -0.14 -1.87 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 2q3p s GLU 68 CO -0.03 0.14 -0.18 -1.54 -0.54 0.00 0.00 175.26 173.11 2q3p s SER 69 N 0.41 2.75 -0.08 -1.70 1.04 -0.38 -0.88 113.70 114.86 2q3p s SER 69 Ca -0.15 -0.90 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 2q3p s SER 69 Cb -0.16 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.76 2q3p s SER 69 CO 0.06 -0.05 -0.03 -0.89 0.98 0.00 0.00 173.24 173.31 2q3p s THR 70 N -2.22 4.04 0.04 2.02 2.01 -0.27 -0.48 115.64 120.80 2q3p s THR 70 Ca 0.18 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2q3p s THR 70 Cb -0.05 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2q3p s THR 70 CO 0.07 0.60 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.21 2q3p s PHE 71 N -0.82 0.47 -0.27 4.92 0.08 -0.33 -1.55 117.98 120.48 2q3p s PHE 71 Ca 0.12 -0.92 0.20 0.00 0.12 0.00 0.00 56.93 56.45 2q3p s PHE 71 Cb -0.11 -0.34 0.31 0.00 -0.57 0.00 0.00 43.02 42.31 2q3p s PHE 71 CO 0.02 -0.32 1.58 0.93 -0.10 0.00 0.00 175.22 177.32 2q3p h GLU 72 N 3.53 0.00 -1.85 0.44 5.08 -1.85 -1.03 114.58 118.90 2q3p h GLU 72 Ca -0.34 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.33 2q3p h GLU 72 Cb 1.16 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 2q3p h GLU 72 CO 0.59 0.21 0.82 -1.54 -1.00 0.00 0.00 179.01 178.09 2q3p s SER 73 N -6.28 -0.03 0.35 1.42 1.04 -1.26 -4.24 113.70 104.69 2q3p s SER 73 Ca 0.05 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.29 2q3p s SER 73 Cb 0.06 0.20 0.65 0.00 0.10 0.00 0.00 66.02 67.04 2q3p s SER 73 CO 0.69 -0.39 1.98 0.11 0.98 0.00 0.00 173.24 176.61 2q3p h LYS 74 N 2.00 0.83 -0.47 4.02 1.57 -1.98 -1.72 116.57 120.81 2q3p h LYS 74 Ca -0.27 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 2q3p h LYS 74 Cb 1.20 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2q3p h LYS 74 CO 0.30 0.55 0.12 0.93 -0.57 0.00 0.00 179.45 180.78 2q3p h GLU 75 N 0.86 0.75 0.00 3.15 3.07 -1.99 -0.39 114.58 120.03 2q3p h GLU 75 Ca 0.28 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.95 2q3p h GLU 75 Cb 0.05 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2q3p h GLU 75 CO -0.08 0.73 -0.04 0.00 -1.40 0.00 0.00 179.01 178.23 2q3p h ALA 76 N 0.98 1.40 0.13 3.43 0.00 -1.72 0.18 119.26 123.67 2q3p h ALA 76 Ca 0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 2q3p h ALA 76 Cb 0.32 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.13 2q3p h ALA 76 CO 0.00 0.05 -1.02 0.28 0.00 0.00 0.00 179.25 178.55 2q3p h VAL 77 N 0.00 1.39 -0.05 0.00 2.07 -0.82 -2.02 116.25 116.82 2q3p h VAL 77 Ca -0.00 -2.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 2q3p h VAL 77 Cb 0.11 2.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2q3p h VAL 77 CO 0.00 0.72 0.03 0.00 0.02 0.00 0.00 177.57 178.34 2q3p h ALA 78 N 0.19 0.06 -0.34 1.67 0.00 0.15 0.28 119.26 121.28 2q3p h ALA 78 Ca -0.17 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.76 2q3p h ALA 78 Cb 1.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 2q3p h ALA 78 CO 0.19 -0.39 -0.07 0.93 0.00 0.00 0.00 179.25 179.91 2q3p h GLU 79 N -0.01 0.01 -0.16 0.00 5.08 -0.77 0.99 114.58 119.72 2q3p h GLU 79 Ca 0.02 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2q3p h GLU 79 Cb 0.08 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2q3p h GLU 79 CO -0.00 0.01 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.01 2q3p h TYR 80 N 0.01 -0.20 -0.79 4.33 3.20 -0.94 0.94 116.97 123.52 2q3p h TYR 80 Ca 0.16 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.11 2q3p h TYR 80 Cb 0.24 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 2q3p h TYR 80 CO -0.30 -0.13 0.52 0.82 -1.64 0.00 0.00 178.16 177.43 2q3p h ILE 81 N -0.07 1.06 -0.01 1.81 1.08 0.54 -1.33 117.51 120.58 2q3p h ILE 81 Ca 0.09 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2q3p h ILE 81 Cb 0.21 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2q3p h ILE 81 CO -0.21 0.16 -0.30 0.00 -0.69 0.00 0.00 178.15 177.11 2q3p n ALA 82 N -2.43 3.18 -1.98 1.87 0.00 0.25 -4.29 120.51 117.11 2q3p n ALA 82 Ca 0.11 -0.48 -0.41 0.00 0.00 0.00 0.00 53.44 52.66 2q3p n ALA 82 Cb 0.19 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 2q3p n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2q3p s HIS 83 N -2.45 3.28 0.48 0.00 5.04 0.32 -4.83 115.29 117.13 2q3p s HIS 83 Ca 0.23 1.30 0.22 0.00 -1.54 0.00 0.00 55.06 55.27 2q3p s HIS 83 Cb 0.19 -3.56 1.26 0.00 0.04 0.00 0.00 32.58 30.50 2q3p s HIS 83 CO 0.52 -1.70 1.94 -1.00 -2.34 0.00 0.00 174.74 172.17 2q3p h PRO 84 N 5.11 0.18 -0.37 2.88 0.13 -1.88 0.28 132.00 138.32 2q3p h PRO 84 Ca -0.45 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2q3p h PRO 84 Cb 1.22 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2q3p h PRO 84 CO 0.75 0.12 -0.22 0.00 -0.23 0.00 0.00 178.00 178.43 2q3p h ALA 85 N 1.67 0.92 0.17 -0.56 0.00 -1.91 -2.20 119.26 117.35 2q3p h ALA 85 Ca 0.33 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2q3p h ALA 85 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2q3p h ALA 85 CO -0.06 0.62 -0.08 1.25 0.00 0.00 0.00 179.25 180.98 2q3p h HIS 86 N 0.64 -0.21 -0.94 0.00 -0.00 -1.25 -2.51 115.15 110.89 2q3p h HIS 86 Ca 0.09 -0.00 0.23 0.00 -0.00 0.00 0.00 60.37 60.69 2q3p h HIS 86 Cb 0.71 0.07 -0.13 0.00 -0.00 0.00 0.00 27.41 28.06 2q3p h HIS 86 CO 0.03 -0.03 0.47 0.28 -0.00 0.00 0.00 177.93 178.68 2q3p h VAL 87 N -1.04 0.49 -0.09 5.26 2.07 -1.12 0.56 116.25 122.38 2q3p h VAL 87 Ca -0.02 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2q3p h VAL 87 Cb 0.27 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2q3p h VAL 87 CO 0.04 0.08 -0.23 -0.08 0.02 0.00 0.00 177.57 177.40 2q3p h GLU 88 N 0.46 0.31 -0.19 1.57 4.81 -1.52 -3.27 114.58 116.75 2q3p h GLU 88 Ca 0.60 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 59.51 2q3p h GLU 88 Cb 1.14 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2q3p h GLU 88 CO -0.51 0.83 -0.27 0.35 -0.73 0.00 0.00 179.01 178.68 2q3p h PHE 89 N -0.16 0.64 -1.31 0.92 3.57 -0.76 -3.09 116.94 116.74 2q3p h PHE 89 Ca -0.00 -0.21 0.38 0.00 3.53 0.00 0.00 57.97 61.66 2q3p h PHE 89 Cb 0.85 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 2q3p h PHE 89 CO 0.12 0.91 0.93 0.00 -2.23 0.00 0.00 178.31 178.04 2q3p h ALA 90 N 0.61 3.11 -0.67 2.41 0.00 -0.05 0.70 119.26 125.37 2q3p h ALA 90 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2q3p h ALA 90 Cb 0.84 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2q3p h ALA 90 CO 0.06 -1.51 0.15 1.15 0.00 0.00 0.00 179.25 179.10 2q3p h THR 91 N 0.06 1.26 0.20 0.00 2.02 -1.59 -1.48 112.91 113.38 2q3p h THR 91 Ca 0.65 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2q3p h THR 91 Cb 2.45 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2q3p h THR 91 CO -0.08 0.37 -0.10 0.40 0.37 0.00 0.00 175.52 176.49 2q3p h ILE 92 N 1.02 0.89 0.18 3.11 2.04 0.30 -2.87 117.51 122.18 2q3p h ILE 92 Ca 0.21 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2q3p h ILE 92 Cb 0.39 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2q3p h ILE 92 CO 0.01 0.14 -0.19 0.15 0.00 0.00 0.00 178.15 178.26 2q3p h PHE 93 N -0.60 -0.50 -0.02 1.37 3.57 -1.40 -1.16 116.94 118.19 2q3p h PHE 93 Ca -0.03 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.48 2q3p h PHE 93 Cb 0.44 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2q3p h PHE 93 CO 0.03 -0.29 0.08 -0.07 -2.23 0.00 0.00 178.31 175.83 2q3p h LEU 94 N -0.41 0.00 0.00 0.59 3.38 -1.37 0.64 115.31 118.14 2q3p h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q3p h LEU 94 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2q3p h LEU 94 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2q3p n GLY 95 N -1.17 -0.92 0.02 0.83 0.00 -0.44 -2.81 105.19 100.71 2q3p n GLY 95 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.96 2q3p n GLY 95 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q3p n SER 96 N -1.47 1.73 -4.87 1.61 7.64 0.22 -5.05 113.62 113.43 2q3p n SER 96 Ca 0.04 -2.01 -0.34 0.00 1.01 0.00 0.00 58.87 57.56 2q3p n SER 96 Cb 0.15 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 2q3p n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2q3p s LEU 97 N -1.09 4.25 -0.24 -3.43 1.43 -1.12 -2.27 118.68 116.20 2q3p s LEU 97 Ca 0.04 0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 53.29 2q3p s LEU 97 Cb 0.04 -2.42 -0.14 0.00 0.03 0.00 0.00 46.19 43.69 2q3p s LEU 97 CO 0.00 0.29 -0.12 -0.67 0.23 0.00 0.00 176.35 176.09 2q3p n ASP 98 N 1.21 1.91 -4.12 2.29 4.64 0.79 -4.54 116.55 118.73 2q3p n ASP 98 Ca -0.13 0.38 -0.21 0.00 -1.38 0.00 0.00 54.79 53.45 2q3p n ASP 98 Cb 0.53 -0.88 -0.14 0.00 -1.04 0.00 0.00 41.12 39.59 2q3p n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 2q3p s LYS 99 N -2.46 1.04 0.04 -0.67 1.02 -1.03 -4.94 119.74 112.74 2q3p s LYS 99 Ca -0.34 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.00 2q3p s LYS 99 Cb 0.10 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 2q3p s LYS 99 CO 0.52 0.27 0.10 0.54 -0.92 0.00 0.00 175.35 175.87 2q3p s VAL 100 N -0.52 0.13 -0.24 3.17 0.11 -1.26 0.30 120.40 122.10 2q3p s VAL 100 Ca 0.04 -1.06 -0.20 0.00 -2.93 0.00 0.00 61.98 57.83 2q3p s VAL 100 Cb -0.06 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2q3p s VAL 100 CO 0.00 -0.58 0.62 -0.22 -3.33 0.00 0.00 175.10 171.59 2q3p s LEU 101 N -2.09 -0.45 -0.02 2.54 0.20 -0.58 -4.96 118.68 113.32 2q3p s LEU 101 Ca -0.05 1.27 0.03 0.00 0.69 0.00 0.00 54.13 56.06 2q3p s LEU 101 Cb -0.01 2.12 0.00 0.00 -0.43 0.00 0.00 46.19 47.87 2q3p s LEU 101 CO -0.04 -0.22 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.01 2q3p s VAL 102 N 0.61 0.85 -0.15 1.68 1.01 -1.26 -0.84 120.40 122.30 2q3p s VAL 102 Ca -0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2q3p s VAL 102 Cb -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 36.38 35.66 2q3p s VAL 102 CO -0.03 0.26 0.33 -0.63 0.00 0.00 0.00 175.10 175.02 2q3p s ILE 103 N 0.12 -0.38 0.20 2.22 1.01 -0.79 -5.03 121.20 118.55 2q3p s ILE 103 Ca -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 2q3p s ILE 103 Cb -0.08 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 2q3p s ILE 103 CO 0.00 0.08 0.44 -1.81 0.00 0.00 0.00 174.94 173.65 2q3p s ASP 104 N 2.17 6.47 0.01 3.58 1.01 -1.26 -2.57 116.67 126.08 2q3p s ASP 104 Ca -0.03 0.60 -0.28 0.00 0.71 0.00 0.00 52.55 53.55 2q3p s ASP 104 Cb -0.11 -2.09 0.08 0.00 1.01 0.00 0.00 42.92 41.80 2q3p s ASP 104 CO -0.10 -0.04 0.72 -0.72 0.21 0.00 0.00 175.17 175.24 2q3p s TYR 105 N -1.82 -0.54 -0.40 4.23 -0.85 -0.98 -4.99 117.35 111.99 2q3p s TYR 105 Ca 0.42 0.68 -0.13 0.00 -0.52 0.00 0.00 57.07 57.52 2q3p s TYR 105 Cb -0.11 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.73 2q3p s TYR 105 CO 0.27 -0.65 0.26 0.15 -1.52 0.00 0.00 175.55 174.06 2q3p s LYS 106 N -2.28 2.89 0.00 -3.49 1.02 -1.26 -1.37 119.74 115.25 2q3p s LYS 106 Ca -0.04 -1.07 -0.36 0.00 0.02 0.00 0.00 55.97 54.52 2q3p s LYS 106 Cb -0.01 -3.87 -0.14 0.00 -0.52 0.00 0.00 37.83 33.29 2q3p s LYS 106 CO -0.01 -0.75 1.63 -2.30 -0.92 0.00 0.00 175.35 173.00 2q3p n PRO 107 N 5.09 1.76 -4.42 -1.68 -0.02 -1.26 -5.00 135.00 129.47 2q3p n PRO 107 Ca -0.11 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 2q3p n PRO 107 Cb 0.46 -2.38 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2q3p n PRO 107 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2q3p s THR 108 N 2.09 2.18 0.07 3.45 2.01 -1.26 -5.06 115.64 119.11 2q3p s THR 108 Ca 0.87 -2.33 -0.26 0.00 0.31 0.00 0.00 61.69 60.28 2q3p s THR 108 Cb -0.81 -2.19 0.07 0.00 0.01 0.00 0.00 72.50 69.58 2q3p s THR 108 CO 0.48 -0.48 0.64 -0.94 -0.69 0.00 0.00 174.62 173.63 2q3p s SER 109 N -3.42 -0.60 -0.66 3.53 1.04 -1.26 -5.07 113.70 107.26 2q3p s SER 109 Ca 0.27 0.30 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 2q3p s SER 109 Cb -0.03 0.57 -0.12 0.00 0.10 0.00 0.00 66.02 66.54 2q3p s SER 109 CO 0.12 -0.81 2.43 0.52 0.98 0.00 0.00 173.24 176.47 2q3p n VAL 110 N 0.15 -0.05 -4.07 5.02 0.31 -1.26 -4.86 118.33 113.58 2q3p n VAL 110 Ca -0.18 -0.62 -0.12 0.00 -0.01 0.00 0.00 64.34 63.41 2q3p n VAL 110 Cb 0.62 -2.21 -0.11 0.00 -0.91 0.00 0.00 33.84 31.23 2q3p n VAL 110 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2q3p s SER 111 N 10.94 0.78 0.00 4.52 1.04 -1.26 -5.38 113.70 124.34 2q3p s SER 111 Ca 1.02 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 56.87 2q3p s SER 111 Cb -0.30 0.06 0.04 0.00 0.10 0.00 0.00 66.02 65.93 2q3p s SER 111 CO 0.24 -0.28 0.67 0.18 0.98 0.00 0.00 173.24 175.03