#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4r s VAL 11 N 0.00 2.34 -0.19 0.52 1.01 0.13 -4.11 120.40 120.11 1q4r s VAL 11 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1q4r s VAL 11 Cb 0.00 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1q4r s VAL 11 CO 0.00 0.53 0.24 -0.54 0.00 0.00 0.00 175.10 175.33 1q4r s LYS 12 N 0.88 4.21 -0.32 2.72 1.02 -0.17 -0.15 119.74 127.93 1q4r s LYS 12 Ca -0.05 -0.03 -0.07 0.00 0.02 0.00 0.00 55.97 55.85 1q4r s LYS 12 Cb -0.15 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1q4r s LYS 12 CO -0.02 0.21 0.10 -1.58 -0.92 0.00 0.00 175.35 173.13 1q4r s HIS 13 N 0.59 3.20 -0.19 3.18 5.65 0.33 -1.45 115.29 126.60 1q4r s HIS 13 Ca 0.13 -1.19 -0.03 0.00 0.25 0.00 0.00 55.06 54.23 1q4r s HIS 13 Cb -0.13 -2.28 -0.01 0.00 -1.18 0.00 0.00 32.58 28.99 1q4r s HIS 13 CO 0.03 -0.65 -0.08 0.08 -0.65 0.00 0.00 174.74 173.47 1q4r s VAL 14 N 1.46 3.22 -0.13 0.89 1.01 0.60 -0.81 120.40 126.65 1q4r s VAL 14 Ca 0.01 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1q4r s VAL 14 Cb -0.18 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.78 1q4r s VAL 14 CO 0.03 0.46 -0.21 -0.22 0.00 0.00 0.00 175.10 175.15 1q4r s LEU 15 N 1.13 2.05 -0.02 3.92 0.20 0.09 -1.34 118.68 124.70 1q4r s LEU 15 Ca 0.01 -0.57 0.01 0.00 0.69 0.00 0.00 54.13 54.28 1q4r s LEU 15 Cb -0.14 -1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 1q4r s LEU 15 CO -0.02 0.09 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.36 1q4r s LEU 16 N 0.72 3.47 0.04 -0.68 1.43 0.03 -0.51 118.68 123.18 1q4r s LEU 16 Ca -0.10 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1q4r s LEU 16 Cb -0.16 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1q4r s LEU 16 CO 0.01 0.30 0.02 0.00 0.23 0.00 0.00 176.35 176.91 1q4r s ALA 17 N -1.02 0.19 -0.09 4.21 0.00 -0.26 -0.93 121.76 123.86 1q4r s ALA 17 Ca 0.18 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1q4r s ALA 17 Cb -0.11 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1q4r s ALA 17 CO 0.08 -0.31 -0.12 0.45 0.00 0.00 0.00 175.76 175.86 1q4r s SER 18 N -2.32 2.08 0.20 0.00 0.15 -0.56 -0.88 113.70 112.38 1q4r s SER 18 Ca -0.02 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.99 1q4r s SER 18 Cb 0.01 -0.92 -0.08 0.00 -1.71 0.00 0.00 66.02 63.32 1q4r s SER 18 CO -0.06 -0.01 1.00 -0.36 1.20 0.00 0.00 173.24 175.01 1q4r s PHE 19 N 1.00 3.80 0.66 3.44 0.08 -1.26 0.08 117.98 125.78 1q4r s PHE 19 Ca -0.08 1.79 -0.14 0.00 0.12 0.00 0.00 56.93 58.63 1q4r s PHE 19 Cb -0.15 -3.10 -0.00 0.00 -0.57 0.00 0.00 43.02 39.19 1q4r s PHE 19 CO -0.01 0.03 1.07 -1.59 -0.10 0.00 0.00 175.22 174.63 1q4r s LYS 20 N -0.79 2.95 0.08 0.44 -2.85 -0.01 -4.46 119.74 115.10 1q4r s LYS 20 Ca 0.45 1.18 -0.36 0.00 -1.00 0.00 0.00 55.97 56.23 1q4r s LYS 20 Cb -0.27 -1.98 -0.18 0.00 -2.06 0.00 0.00 37.83 33.34 1q4r s LYS 20 CO 0.34 -1.10 1.11 -0.25 0.10 0.00 0.00 175.35 175.54 1q4r n ASP 21 N -2.60 0.60 0.00 0.03 8.00 -1.26 -2.18 116.55 119.15 1q4r n ASP 21 Ca 0.09 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.73 1q4r n ASP 21 Cb 0.53 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1q4r n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q4r n GLY 22 N 1.94 0.82 3.66 0.44 0.00 -1.26 -5.03 105.19 105.76 1q4r n GLY 22 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1q4r n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q4r s VAL 23 N -3.01 4.78 0.72 1.61 1.01 -0.92 -5.04 120.40 119.55 1q4r s VAL 23 Ca 0.00 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.65 1q4r s VAL 23 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1q4r s VAL 23 CO 0.00 -0.09 1.07 -0.94 0.00 0.00 0.00 175.10 175.15 1q4r s SER 24 N 1.24 5.14 0.44 3.32 1.04 -1.26 -4.87 113.70 118.74 1q4r s SER 24 Ca 0.40 1.50 0.10 0.00 0.48 0.00 0.00 55.95 58.43 1q4r s SER 24 Cb -0.16 -2.34 0.96 0.00 0.10 0.00 0.00 66.02 64.58 1q4r s SER 24 CO 0.09 -1.58 2.05 -0.65 0.98 0.00 0.00 173.24 174.13 1q4r h PRO 25 N -0.81 0.33 -0.50 4.02 0.11 -1.99 -0.99 132.00 132.15 1q4r h PRO 25 Ca -0.45 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1q4r h PRO 25 Cb 1.23 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1q4r h PRO 25 CO 0.58 0.26 -0.00 0.93 -0.21 0.00 0.00 178.00 179.56 1q4r h GLU 26 N 0.33 0.89 -0.31 1.05 3.07 -2.00 -1.96 114.58 115.65 1q4r h GLU 26 Ca 0.09 -0.29 -0.12 0.00 -0.50 0.00 0.00 59.36 58.54 1q4r h GLU 26 Cb 0.05 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1q4r h GLU 26 CO -0.01 0.93 -0.30 -0.22 -1.40 0.00 0.00 179.01 178.01 1q4r h LYS 27 N 0.76 0.66 -0.10 2.33 1.63 -1.78 -2.18 116.57 117.89 1q4r h LYS 27 Ca 0.14 -0.29 0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1q4r h LYS 27 Cb 0.53 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1q4r h LYS 27 CO 0.03 0.88 0.02 0.82 -3.45 0.00 0.00 179.45 177.74 1q4r h ILE 28 N 0.56 0.96 -0.27 2.00 2.04 -1.06 0.12 117.51 121.85 1q4r h ILE 28 Ca 0.07 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.83 1q4r h ILE 28 Cb 0.79 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1q4r h ILE 28 CO 0.06 0.01 -0.16 -0.33 0.00 0.00 0.00 178.15 177.74 1q4r h GLU 29 N 0.06 0.48 -0.61 2.37 4.39 -1.22 -0.81 114.58 119.24 1q4r h GLU 29 Ca 0.04 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1q4r h GLU 29 Cb 0.03 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 1q4r h GLU 29 CO -0.06 0.63 0.39 1.49 -1.16 0.00 0.00 179.01 180.30 1q4r h GLU 30 N 0.44 0.80 -0.36 2.33 4.81 -0.99 -1.70 114.58 119.92 1q4r h GLU 30 Ca 0.08 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1q4r h GLU 30 Cb 0.53 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1q4r h GLU 30 CO 0.03 0.54 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.70 1q4r h LEU 31 N 0.82 0.70 -0.91 1.64 3.38 0.11 -2.12 115.31 118.93 1q4r h LEU 31 Ca 0.22 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1q4r h LEU 31 Cb -0.08 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1q4r h LEU 31 CO -0.05 0.90 0.51 0.40 0.09 0.00 0.00 178.44 180.29 1q4r h ILE 32 N 0.48 1.26 -0.47 1.22 2.04 -1.18 -0.31 117.51 120.55 1q4r h ILE 32 Ca 0.09 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 1q4r h ILE 32 Cb 0.60 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1q4r h ILE 32 CO 0.04 0.29 -0.06 0.11 0.00 0.00 0.00 178.15 178.52 1q4r h LYS 33 N 1.27 0.82 -0.55 2.37 1.57 -1.19 -1.71 116.57 119.14 1q4r h LYS 33 Ca 0.32 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1q4r h LYS 33 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1q4r h LYS 33 CO -0.05 0.86 0.15 0.78 -0.57 0.00 0.00 179.45 180.61 1q4r h GLY 34 N 0.98 0.95 0.85 3.86 0.00 -0.78 -1.07 103.07 107.86 1q4r h GLY 34 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1q4r h GLY 34 CO 0.03 0.54 -0.02 -1.82 0.00 0.00 0.00 176.54 175.27 1q4r h TYR 35 N 0.78 -0.06 -0.63 5.60 -0.00 -1.01 -2.40 116.97 119.26 1q4r h TYR 35 Ca 0.18 -0.00 0.11 0.00 -0.00 0.00 0.00 58.73 59.01 1q4r h TYR 35 Cb 0.32 0.02 -0.04 0.00 -0.00 0.00 0.00 36.73 37.03 1q4r h TYR 35 CO 0.02 0.10 0.43 0.00 -0.00 0.00 0.00 178.16 178.71 1q4r h ALA 36 N 0.73 2.04 0.00 1.82 0.00 -1.27 -0.81 119.26 121.77 1q4r h ALA 36 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1q4r h ALA 36 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1q4r h ALA 36 CO 0.01 -0.19 0.00 -1.71 0.00 0.00 0.00 179.25 177.36 1q4r n ASN 37 N -4.47 0.63 0.25 0.00 5.15 -0.41 -2.28 115.26 114.13 1q4r n ASN 37 Ca 0.11 0.73 0.16 0.00 -0.60 0.00 0.00 54.58 54.98 1q4r n ASN 37 Cb 0.41 -0.84 0.68 0.00 -0.53 0.00 0.00 39.78 39.49 1q4r n ASN 37 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1q4r h LEU 38 N 0.00 0.00 -0.43 1.20 3.38 -1.15 -0.41 115.31 117.89 1q4r h LEU 38 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1q4r h LEU 38 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1q4r h LEU 38 CO 0.00 0.00 0.05 0.58 0.09 0.00 0.00 178.44 179.16 1q4r h VAL 39 N 0.00 0.72 -0.17 1.22 2.07 -1.63 0.70 116.25 119.16 1q4r h VAL 39 Ca 0.00 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1q4r h VAL 39 Cb 0.44 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1q4r h VAL 39 CO 0.00 0.03 -0.22 0.78 0.02 0.00 0.00 177.57 178.18 1q4r h ASN 40 N 0.17 0.49 0.79 0.57 2.35 -1.30 -3.28 115.58 115.38 1q4r h ASN 40 Ca 0.22 -0.50 -0.12 0.00 -0.55 0.00 0.00 56.30 55.34 1q4r h ASN 40 Cb 0.29 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1q4r h ASN 40 CO -0.31 0.89 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.74 1q4r h LEU 41 N 0.09 0.00 -7.94 1.61 3.38 -1.29 -3.44 115.31 107.73 1q4r h LEU 41 Ca 0.02 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.33 1q4r h LEU 41 Cb 0.78 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.16 1q4r h LEU 41 CO 0.05 0.55 -0.83 -0.63 0.09 0.00 0.00 178.44 177.68 1q4r s ILE 42 N -3.49 2.06 0.17 1.22 1.01 0.23 -5.02 121.20 117.37 1q4r s ILE 42 Ca -0.00 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.17 1q4r s ILE 42 Cb 0.11 -2.03 0.08 0.00 0.01 0.00 0.00 42.46 40.63 1q4r s ILE 42 CO 0.74 0.23 1.62 -0.08 0.00 0.00 0.00 174.94 177.45 1q4r h GLU 43 N 7.87 -0.18 -4.04 2.79 4.57 -1.85 -3.43 114.58 120.30 1q4r h GLU 43 Ca -0.31 0.01 -0.25 0.00 -1.18 0.00 0.00 59.36 57.63 1q4r h GLU 43 Cb 1.09 0.04 0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1q4r h GLU 43 CO 0.54 -0.12 1.61 -0.35 -1.18 0.00 0.00 179.01 179.50 1q4r n PRO 44 N -5.39 0.70 0.00 0.92 -0.04 -1.26 -5.07 135.00 124.85 1q4r n PRO 44 Ca 0.01 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1q4r n PRO 44 Cb 0.31 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1q4r n PRO 44 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q4r n LYS 46 N 5.42 0.00 -3.59 0.54 4.76 -0.65 -4.45 118.16 120.19 1q4r n LYS 46 Ca 0.24 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.57 1q4r n LYS 46 Cb 0.14 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.30 1q4r n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q4r s ALA 47 N -0.42 -1.39 -0.15 7.82 0.00 -1.24 -4.97 121.76 121.41 1q4r s ALA 47 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.05 1q4r s ALA 47 Cb 0.00 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.05 1q4r s ALA 47 CO 0.00 -0.84 0.36 0.12 0.00 0.00 0.00 175.76 175.40 1q4r s PHE 48 N -3.81 -0.54 0.06 0.00 5.36 -1.26 -1.22 117.98 116.57 1q4r s PHE 48 Ca 0.05 1.16 -0.00 0.00 -0.96 0.00 0.00 56.93 57.18 1q4r s PHE 48 Cb -0.02 0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.82 1q4r s PHE 48 CO -0.06 -0.32 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.32 1q4r s HIS 49 N 1.47 0.62 0.20 10.12 3.76 -0.30 -5.01 115.29 126.15 1q4r s HIS 49 Ca -0.09 -0.97 -0.09 0.00 -0.15 0.00 0.00 55.06 53.76 1q4r s HIS 49 Cb -0.09 -0.41 -0.01 0.00 1.11 0.00 0.00 32.58 33.17 1q4r s HIS 49 CO -0.12 -0.29 0.33 1.67 -0.85 0.00 0.00 174.74 175.48 1q4r s TRP 50 N -3.61 0.51 -0.06 1.40 1.48 -1.26 -1.00 118.94 116.39 1q4r s TRP 50 Ca 0.06 -0.84 -0.31 0.00 -1.06 0.00 0.00 56.10 53.95 1q4r s TRP 50 Cb 0.06 -0.05 0.08 0.00 -1.16 0.00 0.00 33.47 32.39 1q4r s TRP 50 CO -0.08 -0.80 0.72 0.20 -4.06 0.00 0.00 176.95 172.93 1q4r s GLY 51 N -3.02 -0.54 0.07 3.67 0.00 -0.56 -5.00 107.32 101.94 1q4r s GLY 51 Ca 0.22 1.40 -0.19 0.00 0.00 0.00 0.00 44.72 46.16 1q4r s GLY 51 CO 0.05 0.96 0.57 1.25 0.00 0.00 0.00 173.10 175.93 1q4r s LYS 52 N -1.20 4.20 0.15 2.90 2.20 -1.26 -1.15 119.74 125.58 1q4r s LYS 52 Ca -0.10 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 55.93 1q4r s LYS 52 Cb -0.00 -3.24 -0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1q4r s LYS 52 CO 0.09 0.64 1.56 0.34 -0.36 0.00 0.00 175.35 177.61 1q4r s ASP 53 N -1.09 6.61 -0.14 1.43 2.15 0.12 -4.89 116.67 120.86 1q4r s ASP 53 Ca 0.29 2.58 0.15 0.00 0.43 0.00 0.00 52.55 55.99 1q4r s ASP 53 Cb -0.19 -2.59 0.36 0.00 -0.30 0.00 0.00 42.92 40.19 1q4r s ASP 53 CO 0.19 -0.81 1.18 1.33 -0.17 0.00 0.00 175.17 176.88 1q4r n VAL 54 N 4.03 1.59 -0.87 1.11 0.24 -1.26 -5.02 118.33 118.16 1q4r n VAL 54 Ca 0.14 -2.38 -0.30 0.00 -2.04 0.00 0.00 64.34 59.75 1q4r n VAL 54 Cb 0.39 0.02 0.16 0.00 -1.47 0.00 0.00 33.84 32.95 1q4r n VAL 54 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1q4r s SER 55 N -2.77 2.97 0.00 -1.34 1.04 -1.26 -5.00 113.70 107.34 1q4r s SER 55 Ca 0.33 1.87 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1q4r s SER 55 Cb 0.32 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 64.00 1q4r s SER 55 CO -0.06 -3.02 0.35 -0.38 0.98 0.00 0.00 173.24 171.11 1q4r n ILE 56 N -4.16 0.00 0.70 -1.02 5.41 -1.26 -4.78 119.36 114.24 1q4r n ILE 56 Ca 0.09 -0.43 0.12 0.00 1.00 0.00 0.00 62.75 63.53 1q4r n ILE 56 Cb 0.53 1.12 0.26 0.00 -0.71 0.00 0.00 39.64 40.84 1q4r n ILE 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1q4r n GLU 57 N -0.16 0.21 -3.50 0.38 1.02 -1.26 -4.93 120.64 112.39 1q4r n GLU 57 Ca 0.00 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 57.01 1q4r n GLU 57 Cb 0.03 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 29.87 1q4r n GLU 57 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1q4r n ASN 58 N -1.97 -5.15 -0.01 1.62 5.15 -1.26 -4.92 115.26 108.71 1q4r n ASN 58 Ca 0.04 -0.53 0.01 0.00 -0.60 0.00 0.00 54.58 53.51 1q4r n ASN 58 Cb 0.41 -4.83 0.02 0.00 -0.53 0.00 0.00 39.78 34.85 1q4r n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q4r n LEU 59 N -4.58 1.92 0.00 1.20 4.77 -1.26 -4.76 117.00 114.28 1q4r n LEU 59 Ca -0.06 -2.03 0.09 0.00 -0.03 0.00 0.00 56.01 53.98 1q4r n LEU 59 Cb 0.58 -0.06 0.41 0.00 -2.33 0.00 0.00 43.42 42.03 1q4r n LEU 59 CO 0.61 0.50 0.80 0.00 -1.33 0.00 0.00 177.39 177.97 1q4r n HIS 60 N -0.60 0.00 -2.41 -1.77 1.44 -1.26 -4.91 115.22 105.71 1q4r n HIS 60 Ca 0.02 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.55 1q4r n HIS 60 Cb 0.32 -0.48 -0.01 0.00 0.12 0.00 0.00 29.99 29.94 1q4r n HIS 60 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1q4r n GLN 61 N -1.48 -1.85 -0.18 -1.40 1.13 -1.26 -1.65 117.38 110.68 1q4r n GLN 61 Ca 0.05 0.90 0.00 0.00 -1.94 0.00 0.00 57.00 56.01 1q4r n GLN 61 Cb 0.22 -5.55 0.00 0.00 0.11 0.00 0.00 30.24 25.02 1q4r n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q4r n GLY 62 N -0.96 1.66 3.75 1.08 0.00 -1.26 -5.04 105.19 104.42 1q4r n GLY 62 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1q4r n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1q4r s TYR 63 N -2.83 3.90 -0.01 1.61 2.02 -0.66 -4.64 117.35 116.73 1q4r s TYR 63 Ca 0.00 1.87 0.04 0.00 -0.37 0.00 0.00 57.07 58.61 1q4r s TYR 63 Cb 0.00 -3.05 -0.06 0.00 -0.40 0.00 0.00 41.96 38.45 1q4r s TYR 63 CO 0.00 0.24 0.07 0.25 -1.57 0.00 0.00 175.55 174.54 1q4r n THR 64 N 1.52 0.05 -4.19 -0.71 -2.24 -0.06 -4.87 114.28 103.78 1q4r n THR 64 Ca -0.02 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 1q4r n THR 64 Cb 0.47 0.15 -0.12 0.00 -2.10 0.00 0.00 70.33 68.73 1q4r n THR 64 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q4r s HIS 65 N -2.24 1.25 -0.02 4.78 3.76 -0.98 0.13 115.29 121.97 1q4r s HIS 65 Ca -0.02 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1q4r s HIS 65 Cb 0.02 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 1q4r s HIS 65 CO 0.16 0.08 -0.18 -1.50 -0.85 0.00 0.00 174.74 172.45 1q4r s ILE 66 N -1.67 1.44 -0.10 0.60 2.07 -0.30 -1.10 121.20 122.13 1q4r s ILE 66 Ca 0.02 -0.76 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1q4r s ILE 66 Cb -0.08 -1.21 0.02 0.00 0.13 0.00 0.00 42.46 41.33 1q4r s ILE 66 CO 0.02 0.41 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.99 1q4r s PHE 67 N -0.26 1.63 -0.13 3.50 0.08 0.33 -1.50 117.98 121.63 1q4r s PHE 67 Ca 0.03 -0.77 0.03 0.00 0.12 0.00 0.00 56.93 56.34 1q4r s PHE 67 Cb -0.09 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1q4r s PHE 67 CO 0.00 -0.46 -0.21 -2.00 -0.10 0.00 0.00 175.22 172.45 1q4r s GLU 68 N 1.25 2.93 0.05 0.44 2.12 -0.17 -0.73 118.70 124.58 1q4r s GLU 68 Ca -0.03 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.57 1q4r s GLU 68 Cb -0.14 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 1q4r s GLU 68 CO -0.04 -0.00 -0.24 -1.54 -0.54 0.00 0.00 175.26 172.91 1q4r s SER 69 N 0.79 3.40 -0.12 -1.70 1.04 0.01 -1.15 113.70 115.98 1q4r s SER 69 Ca -0.08 -0.54 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 1q4r s SER 69 Cb -0.16 -0.40 -0.03 0.00 0.10 0.00 0.00 66.02 65.53 1q4r s SER 69 CO -0.01 0.26 0.01 -0.89 0.98 0.00 0.00 173.24 173.59 1q4r s THR 70 N -0.86 4.36 0.19 2.02 2.01 -0.36 -0.51 115.64 122.49 1q4r s THR 70 Ca 0.13 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.94 1q4r s THR 70 Cb -0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 1q4r s THR 70 CO 0.03 0.56 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.15 1q4r s PHE 71 N -0.43 1.31 -0.28 4.92 0.08 0.79 -1.64 117.98 122.72 1q4r s PHE 71 Ca 0.08 -0.97 0.23 0.00 0.12 0.00 0.00 56.93 56.39 1q4r s PHE 71 Cb -0.12 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1q4r s PHE 71 CO 0.02 -0.14 0.99 0.39 -0.10 0.00 0.00 175.22 176.39 1q4r n GLU 72 N -0.28 0.56 -3.63 0.44 1.02 -1.26 -0.69 120.64 116.79 1q4r n GLU 72 Ca -0.06 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1q4r n GLU 72 Cb 0.63 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1q4r n GLU 72 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1q4r s SER 73 N -5.03 -0.41 0.24 1.62 1.04 -1.26 -4.14 113.70 105.76 1q4r s SER 73 Ca -0.01 -0.29 -0.06 0.00 0.48 0.00 0.00 55.95 56.08 1q4r s SER 73 Cb 0.11 0.64 0.33 0.00 0.10 0.00 0.00 66.02 67.20 1q4r s SER 73 CO 0.80 -1.12 1.84 0.50 0.98 0.00 0.00 173.24 176.24 1q4r h LYS 74 N 2.00 0.88 -0.40 4.02 3.64 -1.96 -1.97 116.57 122.78 1q4r h LYS 74 Ca -0.26 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1q4r h LYS 74 Cb 1.28 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1q4r h LYS 74 CO 0.30 0.58 0.16 0.93 -2.27 0.00 0.00 179.45 179.16 1q4r h GLU 75 N 0.90 0.56 -0.36 1.90 3.07 -1.99 -2.28 114.58 116.39 1q4r h GLU 75 Ca 0.37 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.05 1q4r h GLU 75 Cb 0.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1q4r h GLU 75 CO -0.19 0.46 -0.21 0.00 -1.40 0.00 0.00 179.01 177.68 1q4r h ALA 76 N 1.62 0.97 -0.48 3.43 0.00 -1.76 -0.35 119.26 122.70 1q4r h ALA 76 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1q4r h ALA 76 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q4r h ALA 76 CO -0.01 0.60 0.09 0.28 0.00 0.00 0.00 179.25 180.21 1q4r h VAL 77 N 0.60 1.24 -0.70 0.00 2.07 -1.16 -0.87 116.25 117.44 1q4r h VAL 77 Ca 0.09 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1q4r h VAL 77 Cb 0.68 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1q4r h VAL 77 CO 0.05 0.32 0.28 0.00 0.02 0.00 0.00 177.57 178.23 1q4r h ALA 78 N 0.97 0.91 -0.61 1.67 0.00 -1.06 -0.08 119.26 121.06 1q4r h ALA 78 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1q4r h ALA 78 Cb 0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1q4r h ALA 78 CO 0.01 0.54 0.33 0.93 0.00 0.00 0.00 179.25 181.05 1q4r h GLU 79 N 1.00 0.86 -0.46 0.00 5.08 -0.79 -2.06 114.58 118.22 1q4r h GLU 79 Ca 0.23 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1q4r h GLU 79 Cb 0.22 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1q4r h GLU 79 CO -0.02 0.66 0.09 -0.92 -1.00 0.00 0.00 179.01 177.83 1q4r h TYR 80 N 0.83 0.15 -0.37 4.33 3.20 -0.63 0.54 116.97 125.03 1q4r h TYR 80 Ca 0.21 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1q4r h TYR 80 Cb 0.06 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1q4r h TYR 80 CO -0.01 0.01 0.02 0.82 -1.64 0.00 0.00 178.16 177.36 1q4r h ILE 81 N 0.23 1.20 -0.00 1.81 1.08 -0.46 -2.13 117.51 119.24 1q4r h ILE 81 Ca 0.23 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1q4r h ILE 81 Cb 0.29 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1q4r h ILE 81 CO -0.30 0.27 -0.20 0.00 -0.69 0.00 0.00 178.15 177.24 1q4r n ALA 82 N -2.48 2.82 -2.25 1.87 0.00 -0.83 -4.57 120.51 115.07 1q4r n ALA 82 Ca 0.02 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1q4r n ALA 82 Cb 0.24 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1q4r n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1q4r s HIS 83 N -2.97 3.42 0.48 0.00 5.04 0.13 -4.91 115.29 116.47 1q4r s HIS 83 Ca 0.14 1.31 0.19 0.00 -1.54 0.00 0.00 55.06 55.17 1q4r s HIS 83 Cb 0.18 -3.45 1.26 0.00 0.04 0.00 0.00 32.58 30.62 1q4r s HIS 83 CO 0.59 -1.35 2.07 -1.00 -2.34 0.00 0.00 174.74 172.71 1q4r h PRO 84 N 6.21 0.00 -0.41 2.88 0.13 -1.90 -1.64 132.00 137.28 1q4r h PRO 84 Ca -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 1q4r h PRO 84 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1q4r h PRO 84 CO 0.79 0.11 -0.12 0.00 -0.23 0.00 0.00 178.00 178.55 1q4r h ALA 85 N 1.89 0.56 -0.06 -0.56 0.00 -1.93 -0.85 119.26 118.31 1q4r h ALA 85 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1q4r h ALA 85 Cb 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1q4r h ALA 85 CO 0.01 0.46 -0.16 1.25 0.00 0.00 0.00 179.25 180.81 1q4r h HIS 86 N 0.62 -0.42 -1.00 0.00 -0.00 -1.59 -1.38 115.15 111.38 1q4r h HIS 86 Ca 0.10 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1q4r h HIS 86 Cb 0.66 0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 28.21 1q4r h HIS 86 CO 0.05 -0.23 0.65 0.28 -0.00 0.00 0.00 177.93 178.68 1q4r h VAL 87 N -0.24 1.16 0.36 5.26 2.07 -1.13 0.14 116.25 123.88 1q4r h VAL 87 Ca 0.07 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1q4r h VAL 87 Cb 0.34 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1q4r h VAL 87 CO -0.20 0.23 -0.17 -0.08 0.02 0.00 0.00 177.57 177.36 1q4r h GLU 88 N 1.25 -0.47 -0.01 1.57 4.81 -1.12 -3.24 114.58 117.38 1q4r h GLU 88 Ca 0.40 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 1q4r h GLU 88 Cb 0.03 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1q4r h GLU 88 CO -0.13 -0.16 -0.28 0.35 -0.73 0.00 0.00 179.01 178.06 1q4r h PHE 89 N -0.78 0.01 -0.29 0.92 3.57 -0.91 -2.96 116.94 116.51 1q4r h PHE 89 Ca -0.05 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1q4r h PHE 89 Cb 0.52 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1q4r h PHE 89 CO 0.01 0.29 -0.14 0.00 -2.23 0.00 0.00 178.31 176.24 1q4r h ALA 90 N 1.71 1.22 -0.61 2.41 0.00 -0.76 -1.15 119.26 122.08 1q4r h ALA 90 Ca -0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1q4r h ALA 90 Cb 0.50 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1q4r h ALA 90 CO 0.04 0.51 0.37 1.15 0.00 0.00 0.00 179.25 181.31 1q4r h THR 91 N 0.46 1.07 0.39 0.00 2.02 -1.54 0.24 112.91 115.55 1q4r h THR 91 Ca 0.08 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1q4r h THR 91 Cb 0.52 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1q4r h THR 91 CO 0.03 0.13 -0.19 0.40 0.37 0.00 0.00 175.52 176.27 1q4r h ILE 92 N 0.73 0.62 -0.09 3.11 2.04 -1.34 -1.92 117.51 120.66 1q4r h ILE 92 Ca 0.25 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1q4r h ILE 92 Cb 0.02 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1q4r h ILE 92 CO -0.10 0.01 0.01 0.15 0.00 0.00 0.00 178.15 178.21 1q4r h PHE 93 N -0.54 0.16 0.00 1.37 3.57 -1.00 -2.67 116.94 117.82 1q4r h PHE 93 Ca -0.05 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1q4r h PHE 93 Cb 0.41 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1q4r h PHE 93 CO -0.04 0.38 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.25 1q4r h LEU 94 N -0.11 0.00 -1.56 0.59 3.38 -1.02 -0.86 115.31 115.73 1q4r h LEU 94 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1q4r h LEU 94 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1q4r h LEU 94 CO 0.00 0.10 -0.22 1.23 0.09 0.00 0.00 178.44 179.64 1q4r h GLY 95 N 1.42 0.00 -1.54 0.83 0.00 -0.98 -2.75 103.07 100.04 1q4r h GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q4r h GLY 95 CO 0.01 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.99 1q4r n SER 96 N -3.78 2.53 -4.87 0.19 7.64 -0.33 -4.95 113.62 110.05 1q4r n SER 96 Ca -0.02 -1.86 -0.37 0.00 1.01 0.00 0.00 58.87 57.64 1q4r n SER 96 Cb 0.32 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1q4r n SER 96 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q4r s LEU 97 N -1.54 4.38 -0.07 -3.43 1.43 -1.04 -0.83 118.68 117.58 1q4r s LEU 97 Ca 0.35 0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1q4r s LEU 97 Cb 0.20 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1q4r s LEU 97 CO 0.29 0.39 0.48 0.44 0.23 0.00 0.00 176.35 178.17 1q4r h ASP 98 N 5.12 -0.23 -4.23 2.29 3.45 -0.57 -3.42 116.42 118.82 1q4r h ASP 98 Ca -0.54 -0.12 -0.69 0.00 0.43 0.00 0.00 57.03 56.11 1q4r h ASP 98 Cb 1.22 0.06 -0.25 0.00 -0.56 0.00 0.00 39.33 39.80 1q4r h ASP 98 CO 0.60 0.28 -0.83 -0.54 -1.57 0.00 0.00 179.24 177.17 1q4r s LYS 99 N -2.71 2.17 0.01 3.56 1.02 -1.14 -4.97 119.74 117.67 1q4r s LYS 99 Ca -0.07 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1q4r s LYS 99 Cb 0.00 -2.17 -0.01 0.00 -0.52 0.00 0.00 37.83 35.14 1q4r s LYS 99 CO 0.23 0.57 -0.01 0.54 -0.92 0.00 0.00 175.35 175.75 1q4r s VAL 100 N -0.76 0.07 -0.02 3.17 0.11 -1.26 -1.49 120.40 120.22 1q4r s VAL 100 Ca 0.12 -0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1q4r s VAL 100 Cb -0.10 -0.13 0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1q4r s VAL 100 CO 0.02 -0.18 0.03 -0.22 -3.33 0.00 0.00 175.10 171.42 1q4r s LEU 101 N -0.56 1.05 -0.09 2.54 0.20 -0.10 -4.97 118.68 116.75 1q4r s LEU 101 Ca -0.06 0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.85 1q4r s LEU 101 Cb -0.04 -0.06 -0.01 0.00 -0.43 0.00 0.00 46.19 45.66 1q4r s LEU 101 CO -0.00 -0.13 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.01 1q4r s VAL 102 N 1.09 2.23 -0.02 1.68 1.01 -1.26 -0.79 120.40 124.34 1q4r s VAL 102 Ca -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1q4r s VAL 102 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1q4r s VAL 102 CO -0.03 0.56 -0.08 -0.63 0.00 0.00 0.00 175.10 174.92 1q4r s ILE 103 N 0.11 0.66 -0.11 2.22 1.01 -0.45 -5.02 121.20 119.63 1q4r s ILE 103 Ca -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1q4r s ILE 103 Cb -0.16 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 1q4r s ILE 103 CO 0.06 0.21 -0.07 -1.81 0.00 0.00 0.00 174.94 173.33 1q4r s ASP 104 N 0.11 4.59 0.06 3.58 1.01 -1.26 -0.29 116.67 124.47 1q4r s ASP 104 Ca -0.01 -0.12 -0.09 0.00 0.71 0.00 0.00 52.55 53.04 1q4r s ASP 104 Cb -0.07 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.38 1q4r s ASP 104 CO 0.00 0.25 0.19 -0.72 0.21 0.00 0.00 175.17 175.10 1q4r s TYR 105 N -0.15 0.11 -0.38 4.23 -0.85 -0.53 -4.99 117.35 114.80 1q4r s TYR 105 Ca 0.02 -0.44 -0.13 0.00 -0.52 0.00 0.00 57.07 56.00 1q4r s TYR 105 Cb -0.13 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.17 1q4r s TYR 105 CO 0.03 -0.49 0.24 0.15 -1.52 0.00 0.00 175.55 173.96 1q4r s LYS 106 N -3.24 3.05 0.12 -3.49 1.02 -1.26 -1.00 119.74 114.94 1q4r s LYS 106 Ca 0.00 -0.94 -0.33 0.00 0.02 0.00 0.00 55.97 54.72 1q4r s LYS 106 Cb 0.02 -3.83 -0.13 0.00 -0.52 0.00 0.00 37.83 33.38 1q4r s LYS 106 CO -0.08 -0.64 1.68 -2.30 -0.92 0.00 0.00 175.35 173.09 1q4r n PRO 107 N 5.08 2.33 -4.87 -1.68 -0.02 -1.26 -4.97 135.00 129.60 1q4r n PRO 107 Ca -0.12 0.84 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 1q4r n PRO 107 Cb 0.47 -2.65 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1q4r n PRO 107 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q4r s THR 108 N 1.72 1.64 0.19 3.45 2.01 -1.26 -5.01 115.64 118.37 1q4r s THR 108 Ca 0.81 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1q4r s THR 108 Cb -0.63 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1q4r s THR 108 CO 0.39 0.37 0.11 -0.94 -0.69 0.00 0.00 174.62 173.86 1q4r s SER 109 N -0.73 0.29 -0.85 3.53 1.04 -1.26 -5.08 113.70 110.63 1q4r s SER 109 Ca 0.08 -1.34 -0.24 0.00 0.48 0.00 0.00 55.95 54.93 1q4r s SER 109 Cb -0.08 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1q4r s SER 109 CO 0.00 -0.80 1.26 -0.69 0.98 0.00 0.00 173.24 174.00 1q4r s VAL 110 N -4.09 4.05 0.05 5.02 1.01 -1.26 -4.93 120.40 120.25 1q4r s VAL 110 Ca 0.35 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1q4r s VAL 110 Cb 0.07 -4.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 1q4r s VAL 110 CO 0.09 -1.77 -0.01 -0.94 0.00 0.00 0.00 175.10 172.48 1q4r s SER 111 N 4.16 0.46 0.00 3.32 1.04 -1.26 -5.38 113.70 116.04 1q4r s SER 111 Ca 0.36 -0.97 0.05 0.00 0.48 0.00 0.00 55.95 55.88 1q4r s SER 111 Cb -0.06 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.31 1q4r s SER 111 CO 0.01 -0.61 0.67 0.18 0.98 0.00 0.00 173.24 174.48