#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 2.35 -0.21 0.52 1.01 -0.52 -4.11 120.40 119.43 2q3p s VAL 11 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 2q3p s VAL 11 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2q3p s VAL 11 CO 0.00 0.55 0.09 -0.54 0.00 0.00 0.00 175.10 175.20 2q3p s LYS 12 N 0.24 3.92 -0.39 2.72 1.02 0.78 -0.55 119.74 127.48 2q3p s LYS 12 Ca -0.14 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.36 2q3p s LYS 12 Cb -0.17 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2q3p s LYS 12 CO 0.07 0.10 0.26 -1.58 -0.92 0.00 0.00 175.35 173.29 2q3p s HIS 13 N 0.86 3.24 -0.20 3.18 5.65 0.75 -1.54 115.29 127.23 2q3p s HIS 13 Ca 0.05 -0.69 -0.04 0.00 0.25 0.00 0.00 55.06 54.63 2q3p s HIS 13 Cb -0.13 -2.53 -0.02 0.00 -1.18 0.00 0.00 32.58 28.72 2q3p s HIS 13 CO 0.03 -0.59 -0.03 0.08 -0.65 0.00 0.00 174.74 173.57 2q3p s VAL 14 N 1.64 3.58 -0.10 0.89 1.01 -0.18 0.11 120.40 127.35 2q3p s VAL 14 Ca 0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2q3p s VAL 14 Cb -0.19 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.58 2q3p s VAL 14 CO 0.09 0.44 -0.20 -0.22 0.00 0.00 0.00 175.10 175.21 2q3p s LEU 15 N 1.15 1.94 -0.09 3.92 0.20 -0.63 -1.43 118.68 123.74 2q3p s LEU 15 Ca 0.02 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.31 2q3p s LEU 15 Cb -0.15 -1.25 -0.04 0.00 -0.43 0.00 0.00 46.19 44.33 2q3p s LEU 15 CO -0.00 0.09 0.05 -0.76 -0.29 0.00 0.00 176.35 175.44 2q3p s LEU 16 N 0.64 3.86 0.20 -0.68 1.43 0.89 -0.48 118.68 124.53 2q3p s LEU 16 Ca -0.13 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2q3p s LEU 16 Cb -0.16 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2q3p s LEU 16 CO 0.04 0.38 -0.02 0.00 0.23 0.00 0.00 176.35 176.97 2q3p s ALA 17 N -0.95 1.65 -0.12 4.21 0.00 0.38 -1.37 121.76 125.56 2q3p s ALA 17 Ca 0.14 -1.67 -0.04 0.00 0.00 0.00 0.00 51.96 50.39 2q3p s ALA 17 Cb -0.12 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.46 2q3p s ALA 17 CO 0.04 -0.23 0.10 0.45 0.00 0.00 0.00 175.76 176.12 2q3p s SER 18 N -3.25 1.66 0.38 0.00 0.15 -0.42 -0.30 113.70 111.91 2q3p s SER 18 Ca 0.25 -0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.43 2q3p s SER 18 Cb 0.05 -0.07 -0.10 0.00 -1.71 0.00 0.00 66.02 64.19 2q3p s SER 18 CO 0.06 -0.30 0.98 -0.36 1.20 0.00 0.00 173.24 174.82 2q3p s PHE 19 N 2.19 3.45 0.52 3.44 0.08 -1.26 0.38 117.98 126.78 2q3p s PHE 19 Ca 0.04 1.69 -0.18 0.00 0.12 0.00 0.00 56.93 58.60 2q3p s PHE 19 Cb -0.14 -2.98 -0.07 0.00 -0.57 0.00 0.00 43.02 39.26 2q3p s PHE 19 CO -0.07 -0.17 1.03 -1.59 -0.10 0.00 0.00 175.22 174.32 2q3p s LYS 20 N -2.48 3.70 0.56 0.44 -2.85 -0.66 -4.44 119.74 114.01 2q3p s LYS 20 Ca 0.56 1.22 -0.20 0.00 -1.00 0.00 0.00 55.97 56.55 2q3p s LYS 20 Cb -0.18 -2.09 -0.05 0.00 -2.06 0.00 0.00 37.83 33.45 2q3p s LYS 20 CO 0.22 -0.50 1.12 -0.25 0.10 0.00 0.00 175.35 176.04 2q3p n ASP 21 N -1.40 1.53 0.00 0.03 8.00 -1.26 -1.97 116.55 121.49 2q3p n ASP 21 Ca 0.08 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2q3p n ASP 21 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 2q3p n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q3p n GLY 22 N 1.08 2.96 3.55 0.44 0.00 -1.26 -4.98 105.19 106.99 2q3p n GLY 22 Ca 0.12 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.27 3.25 1.08 1.61 1.01 -0.83 -4.93 120.40 119.32 2q3p s VAL 23 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2q3p s VAL 23 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2q3p s VAL 23 CO 0.00 -0.59 0.15 -1.54 0.00 0.00 0.00 175.10 173.12 2q3p n SER 24 N 14.52 -2.26 -0.24 3.32 3.41 -1.26 -4.73 113.62 126.38 2q3p n SER 24 Ca 0.32 -0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.83 2q3p n SER 24 Cb 0.51 -1.03 0.04 0.00 -0.26 0.00 0.00 64.21 63.46 2q3p n SER 24 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2q3p h PRO 25 N -1.99 1.08 -0.21 4.33 0.11 -2.00 -2.57 132.00 130.76 2q3p h PRO 25 Ca -0.52 -0.27 -0.04 0.00 0.11 0.00 0.00 66.00 65.28 2q3p h PRO 25 Cb 1.34 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2q3p h PRO 25 CO 0.38 0.98 -0.07 0.93 -0.21 0.00 0.00 178.00 180.01 2q3p h GLU 26 N 1.01 0.32 -0.01 1.05 3.07 -1.99 -1.32 114.58 116.70 2q3p h GLU 26 Ca 0.21 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.86 2q3p h GLU 26 Cb 0.40 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 2q3p h GLU 26 CO 0.01 0.40 -0.68 -0.22 -1.40 0.00 0.00 179.01 177.12 2q3p h LYS 27 N 0.30 0.03 0.30 2.33 1.63 -1.82 -1.96 116.57 117.39 2q3p h LYS 27 Ca 0.07 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2q3p h LYS 27 Cb 0.32 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2q3p h LYS 27 CO 0.01 0.69 -0.15 0.82 -3.45 0.00 0.00 179.45 177.38 2q3p h ILE 28 N 0.02 0.67 -0.11 2.00 2.04 -0.92 -0.57 117.51 120.65 2q3p h ILE 28 Ca -0.01 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2q3p h ILE 28 Cb 1.20 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2q3p h ILE 28 CO 0.09 0.12 0.09 -0.33 0.00 0.00 0.00 178.15 178.12 2q3p h GLU 29 N -0.80 0.00 -0.25 2.37 4.39 -1.31 0.89 114.58 119.87 2q3p h GLU 29 Ca -0.04 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2q3p h GLU 29 Cb 0.51 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2q3p h GLU 29 CO 0.07 0.00 -0.16 1.49 -1.16 0.00 0.00 179.01 179.25 2q3p h GLU 30 N 0.00 0.56 -0.20 2.33 4.81 -1.13 -1.88 114.58 119.06 2q3p h GLU 30 Ca 0.05 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.90 2q3p h GLU 30 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2q3p h GLU 30 CO -0.00 0.83 -0.40 -0.07 -0.73 0.00 0.00 179.01 178.64 2q3p h LEU 31 N 0.28 0.49 -0.06 1.64 3.38 0.66 -1.20 115.31 120.51 2q3p h LEU 31 Ca 0.05 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 2q3p h LEU 31 Cb 0.68 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2q3p h LEU 31 CO 0.04 0.84 0.02 0.40 0.09 0.00 0.00 178.44 179.84 2q3p h ILE 32 N 0.39 1.16 -0.85 1.22 2.04 -0.88 0.36 117.51 120.94 2q3p h ILE 32 Ca 0.04 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.47 2q3p h ILE 32 Cb 0.87 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.25 2q3p h ILE 32 CO 0.07 0.13 0.56 0.11 0.00 0.00 0.00 178.15 179.02 2q3p h LYS 33 N -0.07 1.03 -0.33 2.37 1.57 -1.22 0.26 116.57 120.17 2q3p h LYS 33 Ca 0.02 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2q3p h LYS 33 Cb 0.19 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2q3p h LYS 33 CO -0.00 0.68 0.05 0.78 -0.57 0.00 0.00 179.45 180.38 2q3p h GLY 34 N 1.06 0.60 1.06 3.86 0.00 -0.58 -1.23 103.07 107.84 2q3p h GLY 34 Ca 0.34 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.19 2q3p h GLY 34 CO -0.10 0.37 0.09 -1.82 0.00 0.00 0.00 176.54 175.08 2q3p h TYR 35 N 0.38 1.14 -0.07 5.60 -0.00 0.38 -2.90 116.97 121.50 2q3p h TYR 35 Ca 0.10 -0.16 -0.08 0.00 -0.00 0.00 0.00 58.73 58.59 2q3p h TYR 35 Cb 0.36 -0.31 -0.01 0.00 -0.00 0.00 0.00 36.73 36.77 2q3p h TYR 35 CO 0.03 0.97 -0.32 0.00 -0.00 0.00 0.00 178.16 178.84 2q3p h ALA 36 N 1.03 1.35 0.00 1.82 0.00 -0.39 -2.72 119.26 120.35 2q3p h ALA 36 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2q3p h ALA 36 Cb 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2q3p h ALA 36 CO 0.01 0.46 0.00 -1.71 0.00 0.00 0.00 179.25 178.02 2q3p n ASN 37 N -4.13 0.37 0.28 0.00 5.15 -0.47 -2.13 115.26 114.33 2q3p n ASN 37 Ca -0.02 0.65 0.15 0.00 -0.60 0.00 0.00 54.58 54.76 2q3p n ASN 37 Cb 0.39 -0.71 0.83 0.00 -0.53 0.00 0.00 39.78 39.76 2q3p n ASN 37 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2q3p h LEU 38 N 0.00 0.00 -0.03 1.20 3.38 -1.59 -2.06 115.31 116.21 2q3p h LEU 38 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2q3p h LEU 38 Cb 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2q3p h LEU 38 CO 0.00 0.07 -0.15 0.58 0.09 0.00 0.00 178.44 179.03 2q3p h VAL 39 N 0.00 0.63 -0.25 1.22 2.07 -1.67 0.32 116.25 118.57 2q3p h VAL 39 Ca -0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2q3p h VAL 39 Cb 0.24 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2q3p h VAL 39 CO 0.01 0.00 0.15 0.78 0.02 0.00 0.00 177.57 178.53 2q3p h ASN 40 N -0.23 0.25 0.36 0.57 2.35 -1.60 -3.14 115.58 114.14 2q3p h ASN 40 Ca 0.06 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 2q3p h ASN 40 Cb 0.31 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2q3p h ASN 40 CO -0.16 0.18 -0.60 -0.07 -1.65 0.00 0.00 177.43 175.14 2q3p h LEU 41 N 0.31 0.27 -8.96 1.61 3.38 -1.25 -3.45 115.31 107.22 2q3p h LEU 41 Ca 0.10 -0.15 -0.63 0.00 0.09 0.00 0.00 57.88 57.28 2q3p h LEU 41 Cb -0.02 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 40.47 2q3p h LEU 41 CO -0.04 0.80 -0.63 -0.63 0.09 0.00 0.00 178.44 178.03 2q3p s ILE 42 N -3.77 4.20 0.04 1.22 1.01 0.11 -4.99 121.20 119.02 2q3p s ILE 42 Ca -0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2q3p s ILE 42 Cb 0.12 -2.85 -0.16 0.00 0.01 0.00 0.00 42.46 39.58 2q3p s ILE 42 CO 0.80 0.50 1.38 -0.08 0.00 0.00 0.00 174.94 177.53 2q3p h GLU 43 N 6.54 -1.04 -4.02 2.79 4.57 -1.86 -3.44 114.58 118.12 2q3p h GLU 43 Ca -0.35 0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2q3p h GLU 43 Cb 1.18 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2q3p h GLU 43 CO 0.64 -0.69 0.62 -0.35 -1.18 0.00 0.00 179.01 178.05 2q3p n PRO 44 N -5.04 0.00 0.00 0.92 -0.04 -1.26 -5.08 135.00 124.50 2q3p n PRO 44 Ca -0.13 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2q3p n PRO 44 Cb 0.42 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 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 4.07 0.00 -3.53 0.54 4.76 -0.36 -4.38 118.16 119.27 2q3p n LYS 46 Ca 0.01 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 2q3p n LYS 46 Cb 0.01 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.14 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 -0.01 -1.71 -0.02 7.82 0.00 -1.23 -4.96 121.76 121.64 2q3p s ALA 47 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2q3p s ALA 47 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.18 2q3p s ALA 47 CO 0.00 -0.38 0.05 0.12 0.00 0.00 0.00 175.76 175.55 2q3p s PHE 48 N -1.30 -0.04 0.07 0.00 5.36 -1.26 -0.68 117.98 120.13 2q3p s PHE 48 Ca -0.11 0.16 -0.06 0.00 -0.96 0.00 0.00 56.93 55.96 2q3p s PHE 48 Cb -0.00 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.58 2q3p s PHE 48 CO 0.09 -0.06 0.12 -1.01 -1.46 0.00 0.00 175.22 172.90 2q3p s HIS 49 N 0.52 0.26 0.29 10.12 3.76 -1.00 -5.03 115.29 124.21 2q3p s HIS 49 Ca -0.04 -0.71 -0.02 0.00 -0.15 0.00 0.00 55.06 54.14 2q3p s HIS 49 Cb -0.06 -0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 2q3p s HIS 49 CO -0.02 -0.48 0.37 1.67 -0.85 0.00 0.00 174.74 175.43 2q3p s TRP 50 N -3.75 1.07 0.12 1.40 1.48 -1.26 -2.11 118.94 115.89 2q3p s TRP 50 Ca 0.05 -1.27 -0.25 0.00 -1.06 0.00 0.00 56.10 53.57 2q3p s TRP 50 Cb 0.05 -0.24 0.08 0.00 -1.16 0.00 0.00 33.47 32.20 2q3p s TRP 50 CO -0.10 -0.96 0.73 0.20 -4.06 0.00 0.00 176.95 172.76 2q3p s GLY 51 N -3.20 -0.49 -0.14 3.67 0.00 -0.91 -4.99 107.32 101.25 2q3p s GLY 51 Ca 0.32 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.57 2q3p s GLY 51 CO 0.18 0.18 -0.04 1.25 0.00 0.00 0.00 173.10 174.67 2q3p s LYS 52 N -3.53 3.56 -0.04 2.90 2.20 -1.26 -2.42 119.74 121.15 2q3p s LYS 52 Ca 0.04 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2q3p s LYS 52 Cb -0.02 -2.88 -0.06 0.00 -1.51 0.00 0.00 37.83 33.36 2q3p s LYS 52 CO -0.09 0.30 1.78 0.34 -0.36 0.00 0.00 175.35 177.33 2q3p s ASP 53 N 0.19 6.52 -0.18 1.43 2.15 -0.77 -4.84 116.67 121.17 2q3p s ASP 53 Ca -0.02 2.32 0.15 0.00 0.43 0.00 0.00 52.55 55.42 2q3p s ASP 53 Cb -0.14 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.32 2q3p s ASP 53 CO 0.03 -1.04 1.21 1.33 -0.17 0.00 0.00 175.17 176.52 2q3p n VAL 54 N 5.68 2.09 -1.22 1.11 0.24 -1.26 -5.05 118.33 119.92 2q3p n VAL 54 Ca 0.19 -2.76 -0.30 0.00 -2.04 0.00 0.00 64.34 59.42 2q3p n VAL 54 Cb 0.42 -0.24 0.12 0.00 -1.47 0.00 0.00 33.84 32.67 2q3p n VAL 54 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2q3p s SER 55 N -3.01 3.93 -0.26 -1.34 0.15 -1.26 -5.00 113.70 106.91 2q3p s SER 55 Ca 0.36 1.66 0.17 0.00 0.70 0.00 0.00 55.95 58.83 2q3p s SER 55 Cb 0.33 -2.34 0.49 0.00 -1.71 0.00 0.00 66.02 62.79 2q3p s SER 55 CO -0.02 -2.37 1.14 -0.38 1.20 0.00 0.00 173.24 172.81 2q3p n ILE 56 N -3.73 1.73 0.17 6.45 5.41 -1.26 -4.80 119.36 123.34 2q3p n ILE 56 Ca 0.08 -3.36 0.02 0.00 1.00 0.00 0.00 62.75 60.49 2q3p n ILE 56 Cb 0.54 0.33 -0.02 0.00 -0.71 0.00 0.00 39.64 39.78 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 -0.62 5.42 -3.67 0.38 1.02 -1.26 -5.03 120.64 116.87 2q3p n GLU 57 Ca 0.21 -0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 2q3p n GLU 57 Cb 0.87 -0.70 0.04 0.00 -0.02 0.00 0.00 31.44 31.64 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 -1.00 -1.57 0.00 1.62 5.15 -1.26 -4.90 115.26 113.30 2q3p n ASN 58 Ca 0.01 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 2q3p n ASN 58 Cb 0.06 -4.22 0.00 0.00 -0.53 0.00 0.00 39.78 35.09 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 -4.29 1.34 0.02 1.20 4.77 -1.26 -4.77 117.00 114.01 2q3p n LEU 59 Ca -0.27 -1.34 0.07 0.00 -0.03 0.00 0.00 56.01 54.44 2q3p n LEU 59 Cb 0.67 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 42.05 2q3p n LEU 59 CO 0.68 0.33 0.71 0.00 -1.33 0.00 0.00 177.39 177.78 2q3p n HIS 60 N -0.33 0.12 -3.42 -1.77 1.44 -1.26 -4.88 115.22 105.12 2q3p n HIS 60 Ca 0.00 0.05 -0.25 0.00 -2.01 0.00 0.00 57.72 55.51 2q3p n HIS 60 Cb 0.32 -0.58 0.01 0.00 0.12 0.00 0.00 29.99 29.86 2q3p n HIS 60 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2q3p n GLN 61 N -1.61 -3.91 0.00 -1.40 1.13 -1.26 -1.46 117.38 108.87 2q3p n GLN 61 Ca 0.03 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2q3p n GLN 61 Cb 0.15 -5.31 0.00 0.00 0.11 0.00 0.00 30.24 25.19 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 -1.31 3.12 3.76 1.08 0.00 -1.26 -5.05 105.19 105.54 2q3p n GLY 62 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.49 3.90 0.00 1.61 2.02 -0.54 -4.63 117.35 117.23 2q3p s TYR 63 Ca 0.00 1.82 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 2q3p s TYR 63 Cb 0.00 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.65 2q3p s TYR 63 CO 0.00 0.41 0.00 0.25 -1.57 0.00 0.00 175.55 174.64 2q3p n THR 64 N 1.27 0.00 -4.08 -0.71 -2.24 0.59 -4.82 114.28 104.29 2q3p n THR 64 Ca -0.02 -0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 2q3p n THR 64 Cb 0.48 0.66 -0.13 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.57 0.52 0.08 4.78 3.76 -1.05 -1.85 115.29 119.97 2q3p s HIS 65 Ca 0.00 -0.31 0.09 0.00 -0.15 0.00 0.00 55.06 54.69 2q3p s HIS 65 Cb 0.00 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 2q3p s HIS 65 CO 0.00 -0.06 -0.21 -1.50 -0.85 0.00 0.00 174.74 172.13 2q3p s ILE 66 N -0.80 2.64 -0.30 0.60 2.07 -1.02 -0.47 121.20 123.91 2q3p s ILE 66 Ca -0.05 -1.40 -0.03 0.00 -1.41 0.00 0.00 60.65 57.77 2q3p s ILE 66 Cb -0.06 -2.14 0.11 0.00 0.13 0.00 0.00 42.46 40.50 2q3p s ILE 66 CO 0.00 0.23 0.17 -0.36 -1.91 0.00 0.00 174.94 173.07 2q3p s PHE 67 N -0.99 0.26 -0.33 3.50 0.08 0.36 -2.14 117.98 118.72 2q3p s PHE 67 Ca 0.15 -0.90 -0.12 0.00 0.12 0.00 0.00 56.93 56.18 2q3p s PHE 67 Cb -0.10 -0.83 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2q3p s PHE 67 CO 0.06 -0.84 0.22 -2.00 -0.10 0.00 0.00 175.22 172.56 2q3p s GLU 68 N 1.97 3.53 -0.06 0.44 2.12 -0.90 -1.61 118.70 124.19 2q3p s GLU 68 Ca 0.11 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 54.83 2q3p s GLU 68 Cb -0.17 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 2q3p s GLU 68 CO -0.30 -0.40 -0.05 -1.54 -0.54 0.00 0.00 175.26 172.42 2q3p s SER 69 N 1.71 4.76 -0.06 -1.70 1.04 0.12 -2.38 113.70 117.18 2q3p s SER 69 Ca 0.06 0.00 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2q3p s SER 69 Cb -0.17 -1.22 -0.05 0.00 0.10 0.00 0.00 66.02 64.68 2q3p s SER 69 CO 0.10 0.36 0.28 -0.89 0.98 0.00 0.00 173.24 174.07 2q3p s THR 70 N -0.84 5.26 0.23 2.02 2.01 0.14 -0.18 115.64 124.27 2q3p s THR 70 Ca 0.13 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.71 2q3p s THR 70 Cb -0.11 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2q3p s THR 70 CO 0.02 0.59 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.17 2q3p s PHE 71 N -0.98 1.55 -0.52 4.92 0.08 0.29 -1.22 117.98 122.10 2q3p s PHE 71 Ca 0.19 -0.91 0.23 0.00 0.12 0.00 0.00 56.93 56.57 2q3p s PHE 71 Cb -0.14 -0.89 0.15 0.00 -0.57 0.00 0.00 43.02 41.56 2q3p s PHE 71 CO 0.09 -0.03 1.13 0.39 -0.10 0.00 0.00 175.22 176.71 2q3p n GLU 72 N -0.40 0.38 -3.67 0.44 1.02 -1.26 -1.44 120.64 115.70 2q3p n GLU 72 Ca -0.05 0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 2q3p n GLU 72 Cb 0.64 -1.69 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 2q3p n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2q3p s SER 73 N -4.41 -0.26 0.17 1.62 1.04 -1.26 -3.90 113.70 106.69 2q3p s SER 73 Ca 0.03 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 2q3p s SER 73 Cb 0.13 0.48 0.06 0.00 0.10 0.00 0.00 66.02 66.80 2q3p s SER 73 CO 0.77 -0.86 1.74 0.50 0.98 0.00 0.00 173.24 176.36 2q3p h LYS 74 N 2.00 0.83 0.00 4.02 3.64 -1.96 -1.02 116.57 124.08 2q3p h LYS 74 Ca -0.24 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 2q3p h LYS 74 Cb 1.24 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2q3p h LYS 74 CO 0.27 0.70 -0.09 0.93 -2.27 0.00 0.00 179.45 179.00 2q3p h GLU 75 N 0.77 0.00 -0.26 1.90 3.07 -2.00 -1.88 114.58 116.19 2q3p h GLU 75 Ca 0.19 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 2q3p h GLU 75 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 2q3p h GLU 75 CO -0.02 0.09 -0.50 0.00 -1.40 0.00 0.00 179.01 177.17 2q3p h ALA 76 N 1.91 0.41 -0.41 3.43 0.00 -1.59 -2.02 119.26 120.99 2q3p h ALA 76 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2q3p h ALA 76 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2q3p h ALA 76 CO 0.01 0.59 0.23 0.28 0.00 0.00 0.00 179.25 180.36 2q3p h VAL 77 N 0.55 1.15 -0.85 0.00 2.07 -0.74 -1.45 116.25 116.98 2q3p h VAL 77 Ca 0.01 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2q3p h VAL 77 Cb 1.11 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2q3p h VAL 77 CO 0.11 0.16 0.54 0.00 0.02 0.00 0.00 177.57 178.40 2q3p h ALA 78 N 1.08 1.12 -0.33 1.67 0.00 -1.37 -0.29 119.26 121.15 2q3p h ALA 78 Ca 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2q3p h ALA 78 Cb 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2q3p h ALA 78 CO -0.02 0.36 -0.02 0.93 0.00 0.00 0.00 179.25 180.50 2q3p h GLU 79 N 1.04 0.51 -0.28 0.00 5.08 -0.96 -1.53 114.58 118.44 2q3p h GLU 79 Ca 0.34 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2q3p h GLU 79 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2q3p h GLU 79 CO -0.13 0.55 0.03 -0.92 -1.00 0.00 0.00 179.01 177.55 2q3p h TYR 80 N 0.49 0.50 -0.51 4.33 3.20 -0.07 -0.39 116.97 124.52 2q3p h TYR 80 Ca 0.10 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2q3p h TYR 80 Cb 0.35 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2q3p h TYR 80 CO 0.01 0.58 0.22 0.82 -1.64 0.00 0.00 178.16 178.15 2q3p h ILE 81 N 0.28 1.18 0.00 1.81 1.08 -0.63 -2.22 117.51 119.01 2q3p h ILE 81 Ca 0.08 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 2q3p h ILE 81 Cb 0.36 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2q3p h ILE 81 CO 0.01 0.22 -0.05 0.00 -0.69 0.00 0.00 178.15 177.63 2q3p h ALA 82 N 1.52 0.97 -2.55 1.87 0.00 -1.11 -3.42 119.26 116.55 2q3p h ALA 82 Ca 0.18 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.54 2q3p h ALA 82 Cb 0.12 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.98 2q3p h ALA 82 CO -0.02 0.00 0.84 1.58 0.00 0.00 0.00 179.25 181.65 2q3p n HIS 83 N -2.91 2.57 -0.15 0.00 -0.00 -0.17 -4.88 115.22 109.68 2q3p n HIS 83 Ca 0.04 0.24 0.12 0.00 -0.00 0.00 0.00 57.72 58.12 2q3p n HIS 83 Cb 0.51 -2.58 0.46 0.00 -0.00 0.00 0.00 29.99 28.38 2q3p n HIS 83 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2q3p h PRO 84 N 5.38 0.50 -0.31 1.57 0.13 -1.89 -2.17 132.00 135.20 2q3p h PRO 84 Ca -0.45 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2q3p h PRO 84 Cb 1.24 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2q3p h PRO 84 CO 0.85 0.33 -0.04 0.00 -0.23 0.00 0.00 178.00 178.91 2q3p h ALA 85 N 1.65 0.42 -0.35 -0.56 0.00 -1.93 -1.78 119.26 116.71 2q3p h ALA 85 Ca 0.33 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2q3p h ALA 85 Cb 0.59 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2q3p h ALA 85 CO -0.11 0.21 0.13 1.25 0.00 0.00 0.00 179.25 180.73 2q3p h HIS 86 N 0.36 0.22 -0.33 0.00 -0.00 -1.66 -1.61 115.15 112.13 2q3p h HIS 86 Ca 0.08 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.51 2q3p h HIS 86 Cb 0.50 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.83 2q3p h HIS 86 CO 0.04 0.09 0.11 0.28 -0.00 0.00 0.00 177.93 178.46 2q3p h VAL 87 N 0.28 0.90 0.08 5.26 2.07 -1.34 0.21 116.25 123.70 2q3p h VAL 87 Ca 0.16 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 2q3p h VAL 87 Cb 0.13 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 2q3p h VAL 87 CO -0.16 0.05 -0.13 -0.08 0.02 0.00 0.00 177.57 177.26 2q3p h GLU 88 N 0.25 -0.22 0.00 1.57 4.81 -0.89 -2.28 114.58 117.83 2q3p h GLU 88 Ca 0.15 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2q3p h GLU 88 Cb 0.13 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2q3p h GLU 88 CO -0.16 -0.14 0.00 0.35 -0.73 0.00 0.00 179.01 178.33 2q3p h PHE 89 N -0.22 0.00 0.22 0.92 3.57 -1.20 -3.17 116.94 117.06 2q3p h PHE 89 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2q3p h PHE 89 Cb 0.21 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2q3p h PHE 89 CO -0.23 0.00 -0.29 0.00 -2.23 0.00 0.00 178.31 175.56 2q3p h ALA 90 N 2.01 -0.93 -0.68 2.41 0.00 0.04 0.15 119.26 122.26 2q3p h ALA 90 Ca 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.97 2q3p h ALA 90 Cb 0.02 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2q3p h ALA 90 CO 0.00 -0.96 0.46 1.15 0.00 0.00 0.00 179.25 179.90 2q3p h THR 91 N -0.53 0.76 0.49 0.00 2.02 -1.62 -0.98 112.91 113.05 2q3p h THR 91 Ca -0.03 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2q3p h THR 91 Cb 0.47 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2q3p h THR 91 CO -0.07 0.04 -0.23 0.40 0.37 0.00 0.00 175.52 176.03 2q3p h ILE 92 N 0.23 0.00 -0.02 3.11 2.04 -1.35 -1.00 117.51 120.52 2q3p h ILE 92 Ca 0.33 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 2q3p h ILE 92 Cb 0.96 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2q3p h ILE 92 CO -0.07 0.00 0.01 0.15 0.00 0.00 0.00 178.15 178.24 2q3p h PHE 93 N -0.67 0.02 0.00 1.37 3.57 -0.67 -2.45 116.94 118.11 2q3p h PHE 93 Ca -0.07 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2q3p h PHE 93 Cb 0.50 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2q3p h PHE 93 CO 0.11 0.08 0.00 -0.07 -2.23 0.00 0.00 178.31 176.20 2q3p h LEU 94 N -0.04 0.00 -1.13 0.59 3.38 -1.30 -2.75 115.31 114.05 2q3p h LEU 94 Ca 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2q3p h LEU 94 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2q3p h LEU 94 CO -0.00 0.00 -0.10 1.23 0.09 0.00 0.00 178.44 179.66 2q3p h GLY 95 N 1.59 0.52 -2.29 0.83 0.00 -0.66 -2.80 103.07 100.26 2q3p h GLY 95 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2q3p h GLY 95 CO 0.00 0.32 0.00 1.44 0.00 0.00 0.00 176.54 178.30 2q3p n SER 96 N -4.22 3.44 -4.86 0.19 7.64 -1.04 -4.96 113.62 109.81 2q3p n SER 96 Ca 0.01 -1.98 -0.36 0.00 1.01 0.00 0.00 58.87 57.55 2q3p n SER 96 Cb 0.31 -0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 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 -1.39 4.40 0.00 -3.43 1.43 -1.06 -1.65 118.68 116.98 2q3p s LEU 97 Ca 0.40 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2q3p s LEU 97 Cb 0.23 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2q3p s LEU 97 CO 0.32 0.25 0.00 0.47 0.23 0.00 0.00 176.35 177.61 2q3p n ASP 98 N 1.30 0.00 -4.91 2.29 10.43 1.22 -4.64 116.55 122.24 2q3p n ASP 98 Ca -0.11 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 56.96 2q3p n ASP 98 Cb 0.53 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 2q3p n ASP 98 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2q3p s LYS 99 N 0.00 3.61 -0.17 -1.24 1.02 -0.91 -4.91 119.74 117.15 2q3p s LYS 99 Ca 0.00 -0.08 -0.15 0.00 0.02 0.00 0.00 55.97 55.76 2q3p s LYS 99 Cb 0.00 -2.72 0.05 0.00 -0.52 0.00 0.00 37.83 34.64 2q3p s LYS 99 CO 0.00 0.30 0.46 0.54 -0.92 0.00 0.00 175.35 175.73 2q3p s VAL 100 N -1.96 -0.00 -0.04 3.17 0.11 -1.26 -1.30 120.40 119.12 2q3p s VAL 100 Ca 0.42 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.48 2q3p s VAL 100 Cb -0.11 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2q3p s VAL 100 CO 0.28 0.01 0.08 -0.22 -3.33 0.00 0.00 175.10 171.92 2q3p s LEU 101 N 0.47 0.81 -0.03 2.54 0.20 -0.47 -4.97 118.68 117.24 2q3p s LEU 101 Ca -0.02 0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.99 2q3p s LEU 101 Cb -0.04 0.08 -0.01 0.00 -0.43 0.00 0.00 46.19 45.79 2q3p s LEU 101 CO -0.02 -0.15 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.04 2q3p s VAL 102 N 1.28 1.24 0.00 1.68 1.01 -1.26 -0.08 120.40 124.27 2q3p s VAL 102 Ca -0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 2q3p s VAL 102 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2q3p s VAL 102 CO -0.04 0.36 0.14 -0.63 0.00 0.00 0.00 175.10 174.93 2q3p s ILE 103 N -0.14 0.08 -0.05 2.22 1.01 -0.51 -5.02 121.20 118.79 2q3p s ILE 103 Ca 0.01 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2q3p s ILE 103 Cb -0.08 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 2q3p s ILE 103 CO 0.01 -0.38 -0.24 -1.81 0.00 0.00 0.00 174.94 172.51 2q3p s ASP 104 N -1.39 2.97 -0.01 3.58 1.01 -1.26 -1.01 116.67 120.56 2q3p s ASP 104 Ca -0.15 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 52.46 2q3p s ASP 104 Cb -0.08 -0.79 0.03 0.00 1.01 0.00 0.00 42.92 43.09 2q3p s ASP 104 CO 0.02 0.24 0.33 -0.72 0.21 0.00 0.00 175.17 175.25 2q3p s TYR 105 N -0.17 -0.20 -0.35 4.23 -0.85 -0.59 -4.98 117.35 114.45 2q3p s TYR 105 Ca -0.03 0.27 -0.12 0.00 -0.52 0.00 0.00 57.07 56.67 2q3p s TYR 105 Cb -0.13 0.12 -0.00 0.00 0.38 0.00 0.00 41.96 42.32 2q3p s TYR 105 CO 0.03 -0.42 0.22 0.15 -1.52 0.00 0.00 175.55 174.01 2q3p s LYS 106 N -1.52 3.27 -0.07 -3.49 1.02 -1.26 -0.16 119.74 117.53 2q3p s LYS 106 Ca -0.12 -0.79 -0.39 0.00 0.02 0.00 0.00 55.97 54.69 2q3p s LYS 106 Cb -0.04 -3.77 -0.17 0.00 -0.52 0.00 0.00 37.83 33.33 2q3p s LYS 106 CO 0.03 -0.53 1.42 -2.30 -0.92 0.00 0.00 175.35 173.05 2q3p n PRO 107 N 5.07 0.87 -4.30 -1.68 -0.02 -1.26 -4.97 135.00 128.70 2q3p n PRO 107 Ca -0.13 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.46 2q3p n PRO 107 Cb 0.49 -1.93 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.38 0.71 0.32 3.45 2.01 -1.26 -5.05 115.64 117.19 2q3p s THR 108 Ca 0.91 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.69 2q3p s THR 108 Cb -1.08 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 2q3p s THR 108 CO 0.56 0.25 0.10 -0.94 -0.69 0.00 0.00 174.62 173.90 2q3p s SER 109 N 0.67 1.99 -0.84 3.53 1.04 -1.26 -5.07 113.70 113.77 2q3p s SER 109 Ca -0.10 -1.47 -0.25 0.00 0.48 0.00 0.00 55.95 54.61 2q3p s SER 109 Cb -0.13 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.21 2q3p s SER 109 CO 0.01 -0.75 1.32 -0.69 0.98 0.00 0.00 173.24 174.10 2q3p s VAL 110 N -3.46 3.85 0.28 5.02 1.01 -1.26 -4.95 120.40 120.89 2q3p s VAL 110 Ca 0.34 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.27 2q3p s VAL 110 Cb 0.07 -4.95 -0.06 0.00 0.00 0.00 0.00 36.38 31.44 2q3p s VAL 110 CO 0.15 -1.86 -0.00 -0.94 0.00 0.00 0.00 175.10 172.45 2q3p s SER 111 N 4.17 2.29 0.00 3.32 1.04 -1.26 -5.38 113.70 117.88 2q3p s SER 111 Ca 0.38 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2q3p s SER 111 Cb -0.06 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2q3p s SER 111 CO 0.05 -0.49 0.48 0.18 0.98 0.00 0.00 173.24 174.44