#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 3.51 -0.18 0.52 1.01 -0.03 -4.39 120.40 120.84 2q3p s VAL 11 Ca 0.00 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 2q3p s VAL 11 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2q3p s VAL 11 CO 0.00 -0.29 0.76 -0.54 0.00 0.00 0.00 175.10 175.02 2q3p s LYS 12 N 5.17 4.27 -0.29 2.72 -0.14 0.13 -1.05 119.74 130.54 2q3p s LYS 12 Ca 0.78 0.87 -0.07 0.00 -1.36 0.00 0.00 55.97 56.18 2q3p s LYS 12 Cb -0.26 -3.57 -0.00 0.00 -1.68 0.00 0.00 37.83 32.32 2q3p s LYS 12 CO 0.32 -0.29 0.09 -1.58 -0.76 0.00 0.00 175.35 173.13 2q3p s HIS 13 N 2.05 3.14 -0.08 3.18 5.65 0.14 -1.03 115.29 128.35 2q3p s HIS 13 Ca 0.35 -0.81 0.03 0.00 0.25 0.00 0.00 55.06 54.89 2q3p s HIS 13 Cb -0.16 -2.27 -0.02 0.00 -1.18 0.00 0.00 32.58 28.95 2q3p s HIS 13 CO 0.12 -0.52 -0.18 0.08 -0.65 0.00 0.00 174.74 173.59 2q3p s VAL 14 N 1.54 2.72 -0.06 0.89 1.01 0.10 -0.40 120.40 126.21 2q3p s VAL 14 Ca 0.04 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.23 2q3p s VAL 14 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2q3p s VAL 14 CO 0.03 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.33 2q3p s LEU 15 N -0.22 1.81 -0.04 3.92 0.20 -0.13 -1.19 118.68 123.03 2q3p s LEU 15 Ca -0.00 -0.33 0.07 0.00 0.69 0.00 0.00 54.13 54.55 2q3p s LEU 15 Cb -0.13 -0.91 -0.01 0.00 -0.43 0.00 0.00 46.19 44.70 2q3p s LEU 15 CO 0.03 0.10 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.19 2q3p s LEU 16 N 0.34 2.04 0.17 -0.68 1.43 0.73 -0.19 118.68 122.52 2q3p s LEU 16 Ca -0.10 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.30 2q3p s LEU 16 Cb -0.14 -1.29 0.07 0.00 0.03 0.00 0.00 46.19 44.87 2q3p s LEU 16 CO 0.03 0.27 1.02 0.00 0.23 0.00 0.00 176.35 177.90 2q3p s ALA 17 N -0.35 -1.64 0.07 4.21 0.00 -1.11 -0.33 121.76 122.61 2q3p s ALA 17 Ca 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2q3p s ALA 17 Cb -0.11 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 2q3p s ALA 17 CO 0.01 -1.06 -0.19 0.45 0.00 0.00 0.00 175.76 174.98 2q3p s SER 18 N -3.22 2.23 -0.13 0.00 0.15 -1.22 -1.20 113.70 110.31 2q3p s SER 18 Ca 0.18 -0.58 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 2q3p s SER 18 Cb -0.02 -0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2q3p s SER 18 CO 0.04 0.07 0.44 -0.36 1.20 0.00 0.00 173.24 174.63 2q3p s PHE 19 N -1.01 3.49 0.97 3.44 0.08 -1.26 -2.90 117.98 120.80 2q3p s PHE 19 Ca 0.05 0.82 -0.14 0.00 0.12 0.00 0.00 56.93 57.78 2q3p s PHE 19 Cb -0.09 -2.52 0.03 0.00 -0.57 0.00 0.00 43.02 39.86 2q3p s PHE 19 CO 0.03 0.16 0.25 0.36 -0.10 0.00 0.00 175.22 175.92 2q3p n LYS 20 N 3.74 -0.39 -1.75 0.44 2.85 0.24 -4.79 118.16 118.51 2q3p n LYS 20 Ca -0.08 -0.08 -0.42 0.00 -1.05 0.00 0.00 58.31 56.69 2q3p n LYS 20 Cb 0.52 -1.76 -0.00 0.00 -0.65 0.00 0.00 35.03 33.13 2q3p n LYS 20 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2q3p n ASP 21 N -0.91 3.37 0.00 -5.58 8.00 -1.26 -2.39 116.55 117.78 2q3p n ASP 21 Ca 0.05 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2q3p n ASP 21 Cb 0.55 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.58 3.14 3.66 0.44 0.00 -1.26 -5.02 105.19 106.73 2q3p n GLY 22 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.53 3.26 0.69 1.61 1.01 -1.00 -4.97 120.40 118.46 2q3p s VAL 23 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2q3p s VAL 23 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2q3p s VAL 23 CO 0.00 -0.03 1.07 -0.94 0.00 0.00 0.00 175.10 175.20 2q3p s SER 24 N 3.78 5.59 0.33 3.32 1.04 -1.26 -4.90 113.70 121.59 2q3p s SER 24 Ca 0.81 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.54 2q3p s SER 24 Cb -0.38 -2.16 0.56 0.00 0.10 0.00 0.00 66.02 64.14 2q3p s SER 24 CO 0.35 -1.27 1.92 -0.65 0.98 0.00 0.00 173.24 174.58 2q3p h PRO 25 N -0.60 0.75 -0.18 4.02 0.11 -1.99 -1.24 132.00 132.87 2q3p h PRO 25 Ca -0.45 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 65.41 2q3p h PRO 25 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2q3p h PRO 25 CO 0.62 0.61 -0.51 0.93 -0.21 0.00 0.00 178.00 179.44 2q3p h GLU 26 N 0.75 0.49 -0.16 1.05 3.07 -1.99 -1.46 114.58 116.32 2q3p h GLU 26 Ca 0.18 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 2q3p h GLU 26 Cb 0.12 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2q3p h GLU 26 CO -0.02 0.88 -0.02 -0.22 -1.40 0.00 0.00 179.01 178.23 2q3p h LYS 27 N 0.38 0.30 -0.91 2.33 1.63 -1.76 -2.04 116.57 116.50 2q3p h LYS 27 Ca 0.02 -0.10 0.07 0.00 -0.85 0.00 0.00 60.65 59.79 2q3p h LYS 27 Cb 1.02 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.57 2q3p h LYS 27 CO 0.09 0.54 0.59 0.82 -3.45 0.00 0.00 179.45 178.05 2q3p h ILE 28 N 0.02 1.04 0.28 2.00 2.04 -1.16 0.53 117.51 122.25 2q3p h ILE 28 Ca 0.04 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2q3p h ILE 28 Cb 0.42 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2q3p h ILE 28 CO 0.01 0.18 -0.13 -0.33 0.00 0.00 0.00 178.15 177.88 2q3p h GLU 29 N 1.00 -0.36 -0.58 2.37 5.08 -1.00 -0.33 114.58 120.76 2q3p h GLU 29 Ca 0.40 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 2q3p h GLU 29 Cb 0.26 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2q3p h GLU 29 CO -0.16 -0.21 0.16 1.49 -1.00 0.00 0.00 179.01 179.28 2q3p h GLU 30 N -0.41 0.88 -0.71 2.33 4.81 -0.65 -1.45 114.58 119.38 2q3p h GLU 30 Ca -0.04 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2q3p h GLU 30 Cb 0.31 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 2q3p h GLU 30 CO 0.06 0.78 0.32 -0.07 -0.73 0.00 0.00 179.01 179.37 2q3p h LEU 31 N 0.85 0.95 -0.36 1.64 3.38 0.32 0.30 115.31 122.39 2q3p h LEU 31 Ca 0.19 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2q3p h LEU 31 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2q3p h LEU 31 CO -0.00 0.83 -0.28 0.40 0.09 0.00 0.00 178.44 179.48 2q3p h ILE 32 N 1.00 1.28 -0.32 1.22 2.04 -0.86 -1.02 117.51 120.86 2q3p h ILE 32 Ca 0.24 -1.44 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 2q3p h ILE 32 Cb 0.15 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2q3p h ILE 32 CO -0.03 0.47 -0.10 0.11 0.00 0.00 0.00 178.15 178.61 2q3p h LYS 33 N 0.61 0.54 -0.39 2.37 1.57 -0.97 -0.65 116.57 119.66 2q3p h LYS 33 Ca 0.07 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 2q3p h LYS 33 Cb 0.85 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 2q3p h LYS 33 CO 0.07 0.64 -0.12 0.78 -0.57 0.00 0.00 179.45 180.25 2q3p h GLY 34 N 0.92 0.74 0.50 3.86 0.00 -0.03 -1.98 103.07 107.08 2q3p h GLY 34 Ca 0.10 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2q3p h GLY 34 CO 0.03 0.51 -0.01 -1.82 0.00 0.00 0.00 176.54 175.24 2q3p h TYR 35 N 0.63 0.02 -0.22 5.60 -0.00 -0.68 -2.99 116.97 119.33 2q3p h TYR 35 Ca 0.11 -0.01 0.06 0.00 -0.00 0.00 0.00 58.73 58.89 2q3p h TYR 35 Cb 0.57 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.28 2q3p h TYR 35 CO 0.03 0.53 0.21 0.00 -0.00 0.00 0.00 178.16 178.92 2q3p h ALA 36 N 0.49 1.94 0.00 1.82 0.00 -1.07 0.67 119.26 123.12 2q3p h ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q3p h ALA 36 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2q3p h ALA 36 CO 0.00 -0.32 0.00 -1.71 0.00 0.00 0.00 179.25 177.22 2q3p n ASN 37 N -3.98 0.00 0.05 0.00 5.15 -0.75 -2.17 115.26 113.56 2q3p n ASN 37 Ca 0.02 0.33 0.11 0.00 -0.60 0.00 0.00 54.58 54.45 2q3p n ASN 37 Cb 0.34 -0.42 0.45 0.00 -0.53 0.00 0.00 39.78 39.62 2q3p n ASN 37 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2q3p n LEU 38 N -1.42 0.31 -0.07 1.20 4.77 0.23 -2.13 117.00 119.89 2q3p n LEU 38 Ca 0.05 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2q3p n LEU 38 Cb 0.15 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2q3p n LEU 38 CO 0.13 -0.25 0.70 0.58 -1.33 0.00 0.00 177.39 177.21 2q3p h VAL 39 N 0.00 1.29 -0.25 4.08 2.07 -1.63 -0.18 116.25 121.62 2q3p h VAL 39 Ca 0.00 -1.07 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2q3p h VAL 39 Cb 0.42 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2q3p h VAL 39 CO 0.00 0.32 -0.08 0.78 0.02 0.00 0.00 177.57 178.61 2q3p h ASN 40 N 0.13 0.52 0.91 0.57 2.35 -1.65 -3.25 115.58 115.15 2q3p h ASN 40 Ca 0.05 -0.38 -0.11 0.00 -0.55 0.00 0.00 56.30 55.31 2q3p h ASN 40 Cb 0.52 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2q3p h ASN 40 CO 0.02 0.78 -0.52 -0.07 -1.65 0.00 0.00 177.43 175.99 2q3p h LEU 41 N 0.25 0.00 -7.93 1.61 3.38 -1.45 -3.42 115.31 107.74 2q3p h LEU 41 Ca 0.06 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.36 2q3p h LEU 41 Cb 0.57 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.96 2q3p h LEU 41 CO 0.03 0.52 -0.77 -0.63 0.09 0.00 0.00 178.44 177.68 2q3p s ILE 42 N -3.41 2.44 0.18 1.22 1.01 -0.08 -5.02 121.20 117.54 2q3p s ILE 42 Ca 0.00 -1.54 -0.17 0.00 0.00 0.00 0.00 60.65 58.94 2q3p s ILE 42 Cb 0.11 -2.42 0.15 0.00 0.01 0.00 0.00 42.46 40.30 2q3p s ILE 42 CO 0.73 -0.05 1.63 -0.08 0.00 0.00 0.00 174.94 177.17 2q3p h GLU 43 N 7.85 -0.08 -4.28 2.79 4.57 -1.83 -3.43 114.58 120.17 2q3p h GLU 43 Ca -0.20 0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.83 2q3p h GLU 43 Cb 1.05 0.02 0.04 0.00 -0.16 0.00 0.00 28.75 29.70 2q3p h GLU 43 CO 0.49 -0.06 1.09 -0.35 -1.18 0.00 0.00 179.01 179.00 2q3p n PRO 44 N -5.40 0.00 0.13 0.92 -0.04 -1.26 -5.07 135.00 124.27 2q3p n PRO 44 Ca 0.04 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2q3p n PRO 44 Cb 0.31 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 5.78 0.00 -4.41 0.54 4.76 -0.96 -4.46 118.16 119.41 2q3p n LYS 46 Ca 0.13 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.36 2q3p n LYS 46 Cb 0.12 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.20 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 -1.52 2.27 -0.10 7.82 0.00 -1.19 -4.94 121.76 124.09 2q3p s ALA 47 Ca 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 51.96 50.09 2q3p s ALA 47 Cb 0.00 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.24 2q3p s ALA 47 CO 0.00 -0.00 0.23 0.12 0.00 0.00 0.00 175.76 176.10 2q3p s PHE 48 N -2.96 -0.32 0.13 0.00 5.36 -1.26 -1.13 117.98 117.79 2q3p s PHE 48 Ca 0.27 0.78 0.04 0.00 -0.96 0.00 0.00 56.93 57.07 2q3p s PHE 48 Cb 0.02 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.63 2q3p s PHE 48 CO 0.11 -0.26 -0.10 -1.01 -1.46 0.00 0.00 175.22 172.49 2q3p s HIS 49 N 1.69 1.19 0.34 10.12 3.76 0.58 -5.00 115.29 127.98 2q3p s HIS 49 Ca -0.05 -0.71 -0.09 0.00 -0.15 0.00 0.00 55.06 54.06 2q3p s HIS 49 Cb -0.11 -0.62 0.02 0.00 1.11 0.00 0.00 32.58 32.97 2q3p s HIS 49 CO -0.08 0.05 0.59 1.67 -0.85 0.00 0.00 174.74 176.12 2q3p s TRP 50 N -2.93 0.63 -0.23 1.40 1.48 -1.26 0.11 118.94 118.13 2q3p s TRP 50 Ca 0.12 -1.03 -0.34 0.00 -1.06 0.00 0.00 56.10 53.79 2q3p s TRP 50 Cb 0.00 0.28 0.16 0.00 -1.16 0.00 0.00 33.47 32.74 2q3p s TRP 50 CO 0.00 -1.26 1.27 0.20 -4.06 0.00 0.00 176.95 173.10 2q3p s GLY 51 N -3.15 -0.18 0.26 3.67 0.00 -0.57 -5.00 107.32 102.36 2q3p s GLY 51 Ca 0.24 2.00 -0.05 0.00 0.00 0.00 0.00 44.72 46.92 2q3p s GLY 51 CO 0.16 0.73 0.52 1.25 0.00 0.00 0.00 173.10 175.76 2q3p s LYS 52 N -1.89 3.62 -0.01 2.90 2.20 -1.26 -1.41 119.74 123.89 2q3p s LYS 52 Ca 0.09 -0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.38 2q3p s LYS 52 Cb -0.01 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2q3p s LYS 52 CO -0.04 0.26 0.92 0.34 -0.36 0.00 0.00 175.35 176.46 2q3p s ASP 53 N -3.08 7.28 -0.17 1.43 -1.08 0.15 -4.91 116.67 116.29 2q3p s ASP 53 Ca 0.43 1.55 0.15 0.00 -0.52 0.00 0.00 52.55 54.16 2q3p s ASP 53 Cb -0.11 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.25 2q3p s ASP 53 CO 0.29 -0.22 1.20 1.33 0.52 0.00 0.00 175.17 178.28 2q3p n VAL 54 N 3.86 1.63 -0.41 1.11 0.24 -1.26 -5.02 118.33 118.47 2q3p n VAL 54 Ca 0.04 -2.78 -0.28 0.00 -2.04 0.00 0.00 64.34 59.28 2q3p n VAL 54 Cb 0.51 0.05 0.27 0.00 -1.47 0.00 0.00 33.84 33.21 2q3p n VAL 54 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2q3p n SER 55 N -0.62 -2.32 0.00 -1.34 3.41 -1.26 -5.00 113.62 106.49 2q3p n SER 55 Ca 0.18 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2q3p n SER 55 Cb 0.85 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2q3p n SER 55 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2q3p n ILE 56 N -5.21 0.00 1.11 -1.33 2.08 -1.26 -4.81 119.36 109.93 2q3p n ILE 56 Ca 0.04 -0.20 0.14 0.00 0.56 0.00 0.00 62.75 63.29 2q3p n ILE 56 Cb 0.55 0.87 0.59 0.00 -0.75 0.00 0.00 39.64 40.91 2q3p n ILE 56 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2q3p n GLU 57 N -0.51 0.13 -3.65 0.38 1.02 -1.26 -4.93 120.64 111.81 2q3p n GLU 57 Ca 0.00 -0.02 -0.23 0.00 -0.02 0.00 0.00 57.16 56.89 2q3p n GLU 57 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -1.42 -3.26 -0.10 1.62 5.15 -1.26 -4.89 115.26 111.10 2q3p n ASN 58 Ca 0.09 -0.70 0.05 0.00 -0.60 0.00 0.00 54.58 53.41 2q3p n ASN 58 Cb 0.32 -4.52 0.06 0.00 -0.53 0.00 0.00 39.78 35.11 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 -4.48 1.71 0.00 1.20 4.77 -1.26 -4.78 117.00 114.17 2q3p n LEU 59 Ca -0.16 -2.18 0.11 0.00 -0.03 0.00 0.00 56.01 53.75 2q3p n LEU 59 Cb 0.62 -0.20 0.64 0.00 -2.33 0.00 0.00 43.42 42.15 2q3p n LEU 59 CO 0.67 0.52 0.87 0.00 -1.33 0.00 0.00 177.39 178.12 2q3p n HIS 60 N -0.82 0.00 -1.66 -1.77 1.44 -1.26 -4.89 115.22 106.26 2q3p n HIS 60 Ca 0.07 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.63 2q3p n HIS 60 Cb 0.51 -0.13 -0.05 0.00 0.12 0.00 0.00 29.99 30.44 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 -1.13 -1.49 0.00 -1.40 1.13 -1.26 -1.55 117.38 111.69 2q3p n GLN 61 Ca 0.15 0.89 0.00 0.00 -1.94 0.00 0.00 57.00 56.09 2q3p n GLN 61 Cb 0.12 -5.25 0.00 0.00 0.11 0.00 0.00 30.24 25.22 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 -0.42 3.18 3.77 1.08 0.00 -1.26 -5.03 105.19 106.51 2q3p n GLY 62 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.08 2.44 -0.07 1.61 2.02 -0.59 -4.78 117.35 115.89 2q3p s TYR 63 Ca 0.00 1.23 0.08 0.00 -0.37 0.00 0.00 57.07 58.01 2q3p s TYR 63 Cb 0.00 -3.97 -0.11 0.00 -0.40 0.00 0.00 41.96 37.48 2q3p s TYR 63 CO 0.00 -3.05 0.07 0.25 -1.57 0.00 0.00 175.55 171.25 2q3p n THR 64 N -0.11 0.46 -4.51 -0.71 -2.24 -0.34 -4.89 114.28 101.93 2q3p n THR 64 Ca 0.04 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 2q3p n THR 64 Cb 0.41 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.30 2.17 -0.11 4.78 3.76 -0.69 0.31 115.29 123.21 2q3p s HIS 65 Ca -0.04 -0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 54.00 2q3p s HIS 65 Cb 0.03 -1.45 0.05 0.00 1.11 0.00 0.00 32.58 32.33 2q3p s HIS 65 CO 0.36 0.21 0.25 -1.50 -0.85 0.00 0.00 174.74 173.21 2q3p s ILE 66 N -3.04 -0.16 -0.10 0.60 2.07 -0.50 -2.76 121.20 117.31 2q3p s ILE 66 Ca 0.35 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.81 2q3p s ILE 66 Cb 0.09 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.27 2q3p s ILE 66 CO 0.16 0.08 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.71 2q3p s PHE 67 N 1.64 2.63 -0.13 3.50 0.08 0.73 -1.52 117.98 124.92 2q3p s PHE 67 Ca -0.06 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.20 2q3p s PHE 67 Cb -0.11 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2q3p s PHE 67 CO -0.09 -0.29 -0.20 -2.00 -0.10 0.00 0.00 175.22 172.55 2q3p s GLU 68 N 0.20 2.74 0.09 0.44 2.12 0.12 -0.96 118.70 123.45 2q3p s GLU 68 Ca -0.12 -0.75 0.09 0.00 0.36 0.00 0.00 54.97 54.54 2q3p s GLU 68 Cb -0.16 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 2q3p s GLU 68 CO 0.07 -0.01 -0.22 -1.12 -0.54 0.00 0.00 175.26 173.44 2q3p s SER 69 N 0.83 3.61 -0.26 -1.70 0.01 0.47 -0.31 113.70 116.35 2q3p s SER 69 Ca -0.08 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.64 2q3p s SER 69 Cb -0.16 -0.45 0.06 0.00 0.21 0.00 0.00 66.02 65.69 2q3p s SER 69 CO -0.01 0.22 -0.10 -0.89 0.41 0.00 0.00 173.24 172.87 2q3p s THR 70 N -1.00 2.12 0.35 1.44 2.01 -0.29 -0.68 115.64 119.59 2q3p s THR 70 Ca 0.15 -1.62 0.07 0.00 0.31 0.00 0.00 61.69 60.60 2q3p s THR 70 Cb -0.10 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2q3p s THR 70 CO 0.06 -0.05 0.36 -0.36 -0.69 0.00 0.00 174.62 173.94 2q3p s PHE 71 N 1.12 2.93 -0.07 4.92 0.08 -0.22 -2.25 117.98 124.49 2q3p s PHE 71 Ca -0.08 -0.31 0.09 0.00 0.12 0.00 0.00 56.93 56.74 2q3p s PHE 71 Cb -0.20 -1.92 -0.24 0.00 -0.57 0.00 0.00 43.02 40.09 2q3p s PHE 71 CO -0.05 0.07 0.57 0.39 -0.10 0.00 0.00 175.22 176.10 2q3p n GLU 72 N -1.48 0.66 -4.14 0.44 1.02 -1.26 -0.85 120.64 115.02 2q3p n GLU 72 Ca -0.00 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 2q3p n GLU 72 Cb 0.60 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 30.17 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 -6.28 0.14 0.27 1.62 1.04 -1.26 -4.04 113.70 105.20 2q3p s SER 73 Ca -0.09 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 2q3p s SER 73 Cb 0.08 0.46 0.38 0.00 0.10 0.00 0.00 66.02 67.03 2q3p s SER 73 CO 0.81 -0.95 1.77 0.50 0.98 0.00 0.00 173.24 176.35 2q3p h LYS 74 N 2.48 0.72 -0.01 4.02 3.64 -1.95 -2.25 116.57 123.22 2q3p h LYS 74 Ca -0.32 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 2q3p h LYS 74 Cb 1.25 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2q3p h LYS 74 CO 0.47 0.75 -0.22 0.93 -2.27 0.00 0.00 179.45 179.11 2q3p h GLU 75 N 0.67 0.02 -0.17 1.90 3.07 -1.98 -1.61 114.58 116.49 2q3p h GLU 75 Ca 0.13 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 2q3p h GLU 75 Cb 0.46 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2q3p h GLU 75 CO 0.02 0.25 0.05 0.00 -1.40 0.00 0.00 179.01 177.93 2q3p h ALA 76 N 1.76 0.22 -0.40 3.43 0.00 -1.79 0.11 119.26 122.58 2q3p h ALA 76 Ca 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2q3p h ALA 76 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2q3p h ALA 76 CO 0.03 -0.17 0.11 0.28 0.00 0.00 0.00 179.25 179.50 2q3p h VAL 77 N 0.09 1.18 0.45 0.00 2.07 -1.41 -0.84 116.25 117.79 2q3p h VAL 77 Ca 0.05 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2q3p h VAL 77 Cb 0.22 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2q3p h VAL 77 CO -0.00 0.23 -0.43 0.00 0.02 0.00 0.00 177.57 177.39 2q3p h ALA 78 N 1.54 -0.96 -0.43 1.67 0.00 -0.30 -1.89 119.26 118.89 2q3p h ALA 78 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q3p h ALA 78 Cb 0.21 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2q3p h ALA 78 CO -0.01 -1.08 0.27 0.93 0.00 0.00 0.00 179.25 179.37 2q3p h GLU 79 N -0.89 0.57 -0.71 0.00 3.07 -0.51 -2.65 114.58 113.47 2q3p h GLU 79 Ca -0.05 -0.04 0.15 0.00 -0.50 0.00 0.00 59.36 58.92 2q3p h GLU 79 Cb 0.78 -0.13 -0.13 0.00 -0.84 0.00 0.00 28.75 28.44 2q3p h GLU 79 CO -0.05 0.40 -0.07 -0.92 -1.40 0.00 0.00 179.01 176.97 2q3p h TYR 80 N 0.58 -0.18 -0.33 4.33 3.20 -0.96 0.94 116.97 124.56 2q3p h TYR 80 Ca 0.16 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 2q3p h TYR 80 Cb -0.04 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2q3p h TYR 80 CO -0.04 -0.25 0.09 0.82 -1.64 0.00 0.00 178.16 177.14 2q3p h ILE 81 N 0.06 1.15 -0.16 1.81 1.08 -1.04 -1.49 117.51 118.93 2q3p h ILE 81 Ca 0.37 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 64.32 2q3p h ILE 81 Cb 0.61 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2q3p h ILE 81 CO -0.66 0.19 0.00 0.00 -0.69 0.00 0.00 178.15 176.98 2q3p n ALA 82 N -2.48 2.62 -2.68 1.87 0.00 0.31 -4.69 120.51 115.47 2q3p n ALA 82 Ca 0.02 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 2q3p n ALA 82 Cb 0.17 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.62 3.37 0.42 0.00 5.04 -0.26 -4.98 115.29 117.26 2q3p s HIS 83 Ca 0.12 0.48 0.15 0.00 -1.54 0.00 0.00 55.06 54.27 2q3p s HIS 83 Cb 0.08 -2.40 1.02 0.00 0.04 0.00 0.00 32.58 31.32 2q3p s HIS 83 CO 0.06 0.07 1.90 -1.00 -2.34 0.00 0.00 174.74 173.44 2q3p h PRO 84 N 7.26 0.44 -0.46 2.88 0.13 -1.88 0.15 132.00 140.52 2q3p h PRO 84 Ca -0.38 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 2q3p h PRO 84 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2q3p h PRO 84 CO 0.71 0.29 -0.21 0.00 -0.23 0.00 0.00 178.00 178.56 2q3p h ALA 85 N 1.63 0.75 -0.49 -0.56 0.00 -1.94 -0.70 119.26 117.95 2q3p h ALA 85 Ca 0.40 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2q3p h ALA 85 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2q3p h ALA 85 CO -0.14 0.66 -0.09 1.25 0.00 0.00 0.00 179.25 180.94 2q3p h HIS 86 N 0.81 1.04 -0.81 0.00 -0.00 -1.33 -1.11 115.15 113.76 2q3p h HIS 86 Ca 0.11 -0.21 -0.01 0.00 -0.00 0.00 0.00 60.37 60.25 2q3p h HIS 86 Cb 0.77 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 2q3p h HIS 86 CO 0.05 0.99 0.45 0.28 -0.00 0.00 0.00 177.93 179.70 2q3p h VAL 87 N 0.79 1.24 0.65 5.26 2.07 -0.84 -0.23 116.25 125.18 2q3p h VAL 87 Ca 0.13 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 2q3p h VAL 87 Cb 0.64 0.15 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 2q3p h VAL 87 CO 0.04 0.26 -0.31 -0.08 0.02 0.00 0.00 177.57 177.50 2q3p h GLU 88 N 1.12 -0.84 -0.81 1.57 4.81 -1.00 -3.26 114.58 116.17 2q3p h GLU 88 Ca 0.29 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2q3p h GLU 88 Cb 0.01 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2q3p h GLU 88 CO -0.05 -0.53 0.53 0.35 -0.73 0.00 0.00 179.01 178.58 2q3p h PHE 89 N -1.19 0.89 -0.69 0.92 3.57 -1.16 -1.86 116.94 117.43 2q3p h PHE 89 Ca -0.09 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.56 2q3p h PHE 89 Cb 0.69 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 2q3p h PHE 89 CO 0.00 0.47 0.46 0.00 -2.23 0.00 0.00 178.31 177.01 2q3p h ALA 90 N 1.56 2.09 -0.47 2.41 0.00 -1.09 -0.45 119.26 123.31 2q3p h ALA 90 Ca 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 2q3p h ALA 90 Cb 0.24 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2q3p h ALA 90 CO -0.12 -0.26 0.19 1.15 0.00 0.00 0.00 179.25 180.20 2q3p h THR 91 N 0.40 1.21 0.11 0.00 2.02 -1.38 0.87 112.91 116.13 2q3p h THR 91 Ca 0.33 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2q3p h THR 91 Cb 0.73 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2q3p h THR 91 CO -0.10 0.24 -0.05 0.40 0.37 0.00 0.00 175.52 176.38 2q3p h ILE 92 N 0.62 0.96 0.38 3.11 2.04 -1.16 -2.34 117.51 121.12 2q3p h ILE 92 Ca 0.16 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2q3p h ILE 92 Cb 0.19 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2q3p h ILE 92 CO -0.01 0.06 -0.18 0.15 0.00 0.00 0.00 178.15 178.17 2q3p h PHE 93 N -0.26 -0.47 -0.65 1.37 3.57 -1.23 -3.15 116.94 116.11 2q3p h PHE 93 Ca -0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.59 2q3p h PHE 93 Cb 0.22 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 2q3p h PHE 93 CO -0.03 -0.16 0.44 -0.07 -2.23 0.00 0.00 178.31 176.25 2q3p h LEU 94 N -0.76 0.37 -1.34 0.59 3.38 -0.91 0.25 115.31 116.89 2q3p h LEU 94 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2q3p h LEU 94 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2q3p h LEU 94 CO 0.09 0.21 0.00 1.23 0.09 0.00 0.00 178.44 180.06 2q3p h GLY 95 N 0.41 0.00 -0.93 0.83 0.00 -1.37 -0.68 103.07 101.33 2q3p h GLY 95 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2q3p h GLY 95 CO -0.09 0.00 -0.12 1.44 0.00 0.00 0.00 176.54 177.77 2q3p n SER 96 N -2.44 2.02 -4.69 0.19 7.64 0.86 -4.93 113.62 112.27 2q3p n SER 96 Ca -0.00 -1.57 -0.31 0.00 1.01 0.00 0.00 58.87 58.00 2q3p n SER 96 Cb 0.14 0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.16 3.49 0.09 -3.43 1.43 -0.26 0.81 118.68 118.65 2q3p s LEU 97 Ca 0.29 -0.11 0.21 0.00 -1.03 0.00 0.00 54.13 53.50 2q3p s LEU 97 Cb 0.20 -2.14 -0.14 0.00 0.03 0.00 0.00 46.19 44.14 2q3p s LEU 97 CO 0.39 0.21 0.79 0.47 0.23 0.00 0.00 176.35 178.44 2q3p n ASP 98 N 0.88 0.54 -3.61 2.29 10.43 -1.14 -4.69 116.55 121.25 2q3p n ASP 98 Ca -0.12 0.22 -0.09 0.00 2.57 0.00 0.00 54.79 57.36 2q3p n ASP 98 Cb 0.52 0.93 -0.06 0.00 1.84 0.00 0.00 41.12 44.35 2q3p n ASP 98 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 2q3p s LYS 99 N -3.31 0.52 -0.03 -1.24 -2.85 -1.26 -5.05 119.74 106.53 2q3p s LYS 99 Ca -0.04 0.37 0.02 0.00 -1.00 0.00 0.00 55.97 55.32 2q3p s LYS 99 Cb 0.11 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2q3p s LYS 99 CO 0.83 -0.11 -0.06 0.54 0.10 0.00 0.00 175.35 176.65 2q3p s VAL 100 N -0.40 0.57 -0.17 1.79 0.11 -1.26 -3.38 120.40 117.66 2q3p s VAL 100 Ca 0.01 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.84 2q3p s VAL 100 Cb -0.03 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2q3p s VAL 100 CO -0.03 0.20 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.58 2q3p s LEU 101 N 0.39 2.02 0.04 2.54 0.20 0.55 -4.98 118.68 119.43 2q3p s LEU 101 Ca -0.05 -0.67 0.06 0.00 0.69 0.00 0.00 54.13 54.16 2q3p s LEU 101 Cb -0.09 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 2q3p s LEU 101 CO 0.00 -0.07 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.18 2q3p s VAL 102 N 1.40 3.26 -0.03 1.68 1.01 -1.26 -0.19 120.40 126.27 2q3p s VAL 102 Ca 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2q3p s VAL 102 Cb -0.14 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2q3p s VAL 102 CO -0.10 0.31 0.08 -0.63 0.00 0.00 0.00 175.10 174.75 2q3p s ILE 103 N -1.02 -0.00 -0.17 2.22 1.01 -0.33 -5.02 121.20 117.89 2q3p s ILE 103 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2q3p s ILE 103 Cb -0.11 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.28 2q3p s ILE 103 CO 0.08 0.00 -0.10 -1.81 0.00 0.00 0.00 174.94 173.11 2q3p s ASP 104 N 0.10 2.91 0.10 3.58 1.11 -1.26 0.03 116.67 123.24 2q3p s ASP 104 Ca -0.01 -0.64 -0.06 0.00 0.18 0.00 0.00 52.55 52.02 2q3p s ASP 104 Cb -0.01 -1.12 -0.02 0.00 1.07 0.00 0.00 42.92 42.85 2q3p s ASP 104 CO -0.00 -0.12 0.14 -0.72 1.18 0.00 0.00 175.17 175.65 2q3p s TYR 105 N 1.50 0.37 -0.32 4.23 -0.85 -0.20 -4.97 117.35 117.11 2q3p s TYR 105 Ca 0.02 -0.80 -0.06 0.00 -0.52 0.00 0.00 57.07 55.71 2q3p s TYR 105 Cb -0.14 -0.18 0.03 0.00 0.38 0.00 0.00 41.96 42.05 2q3p s TYR 105 CO -0.09 -0.54 0.08 0.15 -1.52 0.00 0.00 175.55 173.63 2q3p s LYS 106 N -3.92 2.69 -0.60 -3.49 1.02 -1.26 0.22 119.74 114.40 2q3p s LYS 106 Ca 0.10 -1.13 -0.35 0.00 0.02 0.00 0.00 55.97 54.61 2q3p s LYS 106 Cb 0.06 -3.40 -0.16 0.00 -0.52 0.00 0.00 37.83 33.81 2q3p s LYS 106 CO -0.07 -0.61 2.36 -2.30 -0.92 0.00 0.00 175.35 173.80 2q3p n PRO 107 N 4.80 0.46 -3.72 -1.68 -0.02 -1.26 -4.90 135.00 128.68 2q3p n PRO 107 Ca -0.13 0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 61.07 2q3p n PRO 107 Cb 0.45 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 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 8.10 5.35 0.22 3.45 2.01 -1.26 -4.98 115.64 128.52 2q3p s THR 108 Ca 1.19 0.42 0.10 0.00 0.31 0.00 0.00 61.69 63.71 2q3p s THR 108 Cb -1.06 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.88 2q3p s THR 108 CO 0.51 0.56 -0.11 -0.94 -0.69 0.00 0.00 174.62 173.94 2q3p s SER 109 N -0.72 4.07 -1.08 3.53 1.04 -1.26 -5.06 113.70 114.23 2q3p s SER 109 Ca 0.17 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 2q3p s SER 109 Cb -0.13 -0.60 0.21 0.00 0.10 0.00 0.00 66.02 65.60 2q3p s SER 109 CO 0.06 0.07 1.17 -0.69 0.98 0.00 0.00 173.24 174.83 2q3p s VAL 110 N -2.01 5.44 0.33 5.02 1.01 -1.26 -4.97 120.40 123.97 2q3p s VAL 110 Ca 0.27 -2.76 -0.06 0.00 0.00 0.00 0.00 61.98 59.43 2q3p s VAL 110 Cb -0.07 -4.71 0.01 0.00 0.00 0.00 0.00 36.38 31.60 2q3p s VAL 110 CO 0.15 -1.35 0.52 -0.94 0.00 0.00 0.00 175.10 173.48 2q3p s SER 111 N 2.28 0.62 0.00 3.32 1.04 -1.26 -5.39 113.70 114.32 2q3p s SER 111 Ca 0.33 -1.35 0.16 0.00 0.48 0.00 0.00 55.95 55.57 2q3p s SER 111 Cb -0.07 0.68 0.13 0.00 0.10 0.00 0.00 66.02 66.86 2q3p s SER 111 CO -0.06 -1.33 1.01 0.18 0.98 0.00 0.00 173.24 174.02