#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm1 s PHE 30 N 0.00 1.47 0.17 -0.32 0.40 -1.26 -5.11 117.98 113.33 3dm1 s PHE 30 Ca 0.00 -0.49 -0.32 0.00 -0.60 0.00 0.00 56.93 55.52 3dm1 s PHE 30 Cb 0.00 -0.78 -0.11 0.00 0.51 0.00 0.00 43.02 42.63 3dm1 s PHE 30 CO 0.00 0.15 1.75 0.08 0.70 0.00 0.00 175.22 177.90 3dm1 s VAL 31 N -1.71 2.25 -0.04 -0.44 1.01 -1.26 -4.98 120.40 115.22 3dm1 s VAL 31 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3dm1 s VAL 31 Cb -0.07 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3dm1 s VAL 31 CO 0.03 0.00 0.46 -0.69 0.00 0.00 0.00 175.10 174.91 3dm1 s VAL 32 N 1.74 5.05 -0.18 2.92 1.01 -1.26 -2.34 120.40 127.33 3dm1 s VAL 32 Ca 0.77 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 3dm1 s VAL 32 Cb -0.48 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 31.90 3dm1 s VAL 32 CO 0.33 0.46 0.15 1.21 0.00 0.00 0.00 175.10 177.26 3dm1 n GLU 33 N 2.62 0.67 -3.55 2.72 2.13 0.81 -4.75 120.64 121.30 3dm1 n GLU 33 Ca -0.10 0.33 -0.07 0.00 0.66 0.00 0.00 57.16 57.98 3dm1 n GLU 33 Cb 0.52 -1.66 -0.02 0.00 0.27 0.00 0.00 31.44 30.54 3dm1 n GLU 33 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3dm1 s LYS 34 N -2.49 0.70 -0.19 5.31 -2.85 -1.03 -5.01 119.74 114.18 3dm1 s LYS 34 Ca -0.28 -0.27 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 3dm1 s LYS 34 Cb 0.08 0.31 -0.05 0.00 -2.06 0.00 0.00 37.83 36.11 3dm1 s LYS 34 CO 0.66 -0.31 0.16 0.08 0.10 0.00 0.00 175.35 176.05 3dm1 s VAL 35 N -2.93 5.39 -0.06 1.79 1.01 -1.26 -1.55 120.40 122.79 3dm1 s VAL 35 Ca 0.07 0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.42 3dm1 s VAL 35 Cb -0.01 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.70 3dm1 s VAL 35 CO -0.07 0.43 0.17 0.18 0.00 0.00 0.00 175.10 175.82 3dm1 n LEU 36 N 3.49 0.00 -3.72 3.92 4.77 0.10 -4.99 117.00 120.58 3dm1 n LEU 36 Ca -0.15 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.77 3dm1 n LEU 36 Cb 0.52 0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3dm1 n LEU 36 CO 0.37 0.12 0.61 -0.62 -1.33 0.00 0.00 177.39 176.54 3dm1 s ASP 37 N -3.83 -0.27 -0.06 -1.43 -1.08 -1.23 -4.96 116.67 103.82 3dm1 s ASP 37 Ca -0.05 -0.38 -0.08 0.00 -0.52 0.00 0.00 52.55 51.52 3dm1 s ASP 37 Cb 0.06 0.56 0.02 0.00 -1.46 0.00 0.00 42.92 42.10 3dm1 s ASP 37 CO 0.49 -1.01 0.22 -0.60 0.52 0.00 0.00 175.17 174.79 3dm1 s ARG 38 N -3.51 0.35 0.06 4.34 3.52 -1.26 -0.94 118.95 121.51 3dm1 s ARG 38 Ca 0.10 0.13 -0.13 0.00 -0.13 0.00 0.00 55.73 55.69 3dm1 s ARG 38 Cb -0.03 0.16 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 3dm1 s ARG 38 CO 0.01 -0.06 0.31 -0.98 -0.81 0.00 0.00 175.30 173.76 3dm1 s ARG 39 N -0.31 0.86 -0.19 5.12 1.70 -0.10 -5.01 118.95 121.02 3dm1 s ARG 39 Ca -0.04 -0.60 -0.05 0.00 -0.47 0.00 0.00 55.73 54.57 3dm1 s ARG 39 Cb -0.03 0.37 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3dm1 s ARG 39 CO 0.01 -0.29 0.00 0.08 -1.08 0.00 0.00 175.30 174.03 3dm1 s VAL 40 N -2.95 4.06 -0.15 4.99 1.01 -1.26 -0.52 120.40 125.58 3dm1 s VAL 40 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3dm1 s VAL 40 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.59 3dm1 s VAL 40 CO -0.06 0.44 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 3dm1 s VAL 41 N 0.84 1.06 -1.08 2.92 1.01 -0.24 -4.81 120.40 120.10 3dm1 s VAL 41 Ca 0.01 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3dm1 s VAL 41 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3dm1 s VAL 41 CO 0.02 0.21 0.92 0.59 0.00 0.00 0.00 175.10 176.83 3dm1 n ASN 42 N 4.91 -3.03 -3.92 3.32 4.13 -1.26 -1.97 115.26 117.43 3dm1 n ASN 42 Ca -0.12 -0.52 -0.31 0.00 1.68 0.00 0.00 54.58 55.30 3dm1 n ASN 42 Cb 0.49 -4.52 -0.02 0.00 -1.54 0.00 0.00 39.78 34.18 3dm1 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dm1 n GLY 43 N -1.30 -0.46 2.90 7.41 0.00 -1.26 -4.99 105.19 107.49 3dm1 n GLY 43 Ca -0.18 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3dm1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dm1 s LYS 44 N -6.61 0.81 0.24 1.61 1.02 -0.83 -5.14 119.74 110.84 3dm1 s LYS 44 Ca 0.63 -0.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 3dm1 s LYS 44 Cb -0.34 -0.81 -0.09 0.00 -0.52 0.00 0.00 37.83 36.07 3dm1 s LYS 44 CO 0.77 -0.06 1.07 0.08 -0.92 0.00 0.00 175.35 176.29 3dm1 s VAL 45 N 0.83 3.71 0.05 3.17 1.01 -1.26 -1.08 120.40 126.82 3dm1 s VAL 45 Ca -0.11 1.63 0.03 0.00 0.00 0.00 0.00 61.98 63.53 3dm1 s VAL 45 Cb -0.14 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 3dm1 s VAL 45 CO 0.00 0.35 -0.10 -1.61 0.00 0.00 0.00 175.10 173.74 3dm1 s GLU 46 N -1.04 0.66 0.01 2.72 2.02 0.32 -1.43 118.70 121.94 3dm1 s GLU 46 Ca 0.45 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.75 3dm1 s GLU 46 Cb -0.30 -0.55 -0.02 0.00 0.10 0.00 0.00 34.13 33.36 3dm1 s GLU 46 CO 0.38 0.12 -0.23 0.71 0.02 0.00 0.00 175.26 176.26 3dm1 s TYR 47 N -1.17 2.02 -0.22 1.61 2.02 -0.05 -0.92 117.35 120.65 3dm1 s TYR 47 Ca -0.05 -0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.05 3dm1 s TYR 47 Cb -0.09 -1.27 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3dm1 s TYR 47 CO 0.01 0.02 0.65 0.12 -1.57 0.00 0.00 175.55 174.78 3dm1 s PHE 48 N -0.63 3.34 0.04 2.71 5.36 -0.11 -0.93 117.98 127.75 3dm1 s PHE 48 Ca 0.09 0.92 0.07 0.00 -0.96 0.00 0.00 56.93 57.05 3dm1 s PHE 48 Cb -0.09 -2.84 -0.03 0.00 -0.34 0.00 0.00 43.02 39.72 3dm1 s PHE 48 CO 0.00 -0.25 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.82 3dm1 s LEU 49 N 2.19 2.57 -0.19 6.12 1.43 -0.50 -0.72 118.68 129.59 3dm1 s LEU 49 Ca 0.29 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3dm1 s LEU 49 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3dm1 s LEU 49 CO 0.10 0.26 0.07 -0.75 0.23 0.00 0.00 176.35 176.25 3dm1 s LYS 50 N -1.39 3.97 0.01 1.70 2.47 -0.59 -2.72 119.74 123.18 3dm1 s LYS 50 Ca 0.14 -0.34 -0.05 0.00 -1.56 0.00 0.00 55.97 54.16 3dm1 s LYS 50 Cb -0.10 -3.24 -0.04 0.00 -1.46 0.00 0.00 37.83 32.98 3dm1 s LYS 50 CO 0.05 0.24 0.23 -1.58 0.16 0.00 0.00 175.35 174.46 3dm1 s TRP 51 N 0.46 3.56 0.20 4.03 0.52 -1.26 -0.14 118.94 126.32 3dm1 s TRP 51 Ca 0.03 0.48 -0.30 0.00 0.02 0.00 0.00 56.10 56.34 3dm1 s TRP 51 Cb -0.13 -1.92 -0.08 0.00 -1.15 0.00 0.00 33.47 30.19 3dm1 s TRP 51 CO 0.00 0.62 1.09 0.21 0.02 0.00 0.00 176.95 178.89 3dm1 s LYS 52 N -1.87 4.62 -0.61 4.98 2.47 -0.99 -2.98 119.74 125.36 3dm1 s LYS 52 Ca 0.28 1.72 0.00 0.00 -1.56 0.00 0.00 55.97 56.41 3dm1 s LYS 52 Cb -0.13 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 3dm1 s LYS 52 CO 0.17 0.13 0.00 0.41 0.16 0.00 0.00 175.35 176.23 3dm1 n GLY 53 N 1.82 0.78 3.50 5.54 0.00 -1.26 -4.90 105.19 110.67 3dm1 n GLY 53 Ca 0.02 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.45 3dm1 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dm1 s PHE 54 N -2.02 2.18 0.37 1.61 0.08 -1.16 -5.16 117.98 113.88 3dm1 s PHE 54 Ca 0.00 -0.70 0.07 0.00 0.12 0.00 0.00 56.93 56.42 3dm1 s PHE 54 Cb 0.00 -1.35 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3dm1 s PHE 54 CO 0.00 0.33 0.40 -0.08 -0.10 0.00 0.00 175.22 175.77 3dm1 s THR 55 N -2.92 3.29 0.36 0.64 -1.32 -1.26 -4.83 115.64 109.60 3dm1 s THR 55 Ca 0.33 -1.22 0.33 0.00 -1.21 0.00 0.00 61.69 59.92 3dm1 s THR 55 Cb 0.06 -3.14 0.33 0.00 -1.51 0.00 0.00 72.50 68.24 3dm1 s THR 55 CO 0.15 -0.09 2.01 0.44 -2.21 0.00 0.00 174.62 174.92 3dm1 h ASP 56 N 1.01 0.00 1.12 8.08 3.32 -2.00 -2.27 116.42 125.69 3dm1 h ASP 56 Ca -0.43 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.44 3dm1 h ASP 56 Cb 1.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 3dm1 h ASP 56 CO 0.55 0.00 -0.89 0.00 -1.72 0.00 0.00 179.24 177.17 3dm1 h ALA 57 N 1.83 0.48 0.00 3.45 0.00 -2.00 -3.00 119.26 120.02 3dm1 h ALA 57 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3dm1 h ALA 57 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3dm1 h ALA 57 CO 0.00 1.06 0.00 -0.25 0.00 0.00 0.00 179.25 180.06 3dm1 n ASP 58 N -3.28 0.00 -4.77 0.00 8.00 -0.85 -4.91 116.55 110.74 3dm1 n ASP 58 Ca -0.01 -0.45 -0.34 0.00 0.71 0.00 0.00 54.79 54.70 3dm1 n ASP 58 Cb 0.88 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.96 3dm1 n ASP 58 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3dm1 s ASN 59 N -2.10 5.33 -0.05 -2.24 0.01 -1.14 -4.85 114.94 109.90 3dm1 s ASN 59 Ca 0.25 2.11 -0.05 0.00 -0.71 0.00 0.00 52.86 54.47 3dm1 s ASN 59 Cb 0.12 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.23 3dm1 s ASN 59 CO 0.22 -1.48 0.14 0.42 -1.51 0.00 0.00 177.10 174.88 3dm1 s THR 60 N -2.04 -0.00 0.21 1.60 -4.23 -1.10 -4.95 115.64 105.13 3dm1 s THR 60 Ca 0.70 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.92 3dm1 s THR 60 Cb -0.23 -0.20 -0.09 0.00 1.34 0.00 0.00 72.50 73.32 3dm1 s THR 60 CO 0.35 0.00 1.28 0.26 -0.54 0.00 0.00 174.62 175.97 3dm1 s TRP 61 N 0.10 3.29 -0.01 3.99 0.52 -1.26 -1.41 118.94 124.16 3dm1 s TRP 61 Ca -0.00 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.45 3dm1 s TRP 61 Cb -0.01 -3.56 -0.00 0.00 -1.15 0.00 0.00 33.47 28.75 3dm1 s TRP 61 CO 0.00 -1.67 -0.07 -1.21 0.02 0.00 0.00 176.95 174.02 3dm1 s GLU 62 N -0.38 0.65 0.69 4.98 0.41 -0.11 -4.95 118.70 119.99 3dm1 s GLU 62 Ca 0.54 -0.24 -0.16 0.00 -0.41 0.00 0.00 54.97 54.71 3dm1 s GLU 62 Cb -0.36 -0.63 0.02 0.00 -1.78 0.00 0.00 34.13 31.38 3dm1 s GLU 62 CO 0.40 0.12 1.18 -1.25 -0.49 0.00 0.00 175.26 175.22 3dm1 s PRO 63 N 0.02 2.46 0.29 0.39 0.04 -1.26 -0.88 135.00 136.07 3dm1 s PRO 63 Ca 0.00 1.69 0.04 0.00 0.04 0.00 0.00 61.00 62.77 3dm1 s PRO 63 Cb -0.05 -1.88 0.68 0.00 0.04 0.00 0.00 34.50 33.29 3dm1 s PRO 63 CO -0.00 -1.57 1.77 1.05 0.04 0.00 0.00 177.00 178.28 3dm1 h GLU 64 N 0.02 0.69 0.00 4.56 4.11 -1.61 -1.14 114.58 121.21 3dm1 h GLU 64 Ca -0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3dm1 h GLU 64 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dm1 h GLU 64 CO 0.52 0.46 0.00 -0.85 0.07 0.00 0.00 179.01 179.20 3dm1 n GLU 65 N -4.81 0.18 0.14 1.06 0.00 -1.26 -1.69 120.64 114.26 3dm1 n GLU 65 Ca 0.22 0.45 0.12 0.00 0.00 0.00 0.00 57.16 57.95 3dm1 n GLU 65 Cb 0.54 -1.87 0.50 0.00 0.00 0.00 0.00 31.44 30.61 3dm1 n GLU 65 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 3dm1 h ASN 66 N 0.00 0.00 -2.92 -1.84 4.21 -1.56 -3.45 115.58 110.02 3dm1 h ASN 66 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 3dm1 h ASN 66 Cb 0.30 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.45 3dm1 h ASN 66 CO 0.00 0.00 -0.30 -0.76 -1.29 0.00 0.00 177.43 175.08 3dm1 s LEU 67 N -4.60 4.42 0.54 1.61 1.02 -0.68 -4.99 118.68 116.00 3dm1 s LEU 67 Ca 0.04 0.77 0.32 0.00 0.02 0.00 0.00 54.13 55.28 3dm1 s LEU 67 Cb 0.09 -2.52 1.46 0.00 0.02 0.00 0.00 46.19 45.24 3dm1 s LEU 67 CO 0.41 0.32 2.03 -2.24 0.02 0.00 0.00 176.35 176.89 3dm1 h ASP 68 N 4.54 0.00 -0.21 2.29 3.04 -1.87 -3.39 116.42 120.82 3dm1 h ASP 68 Ca -0.52 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.01 3dm1 h ASP 68 Cb 1.22 0.00 -0.17 0.00 -1.04 0.00 0.00 39.33 39.34 3dm1 h ASP 68 CO 0.62 0.07 -0.54 0.00 -2.04 0.00 0.00 179.24 177.34 3dm1 h PRO 70 N 3.63 0.00 -0.70 0.00 0.13 -1.84 -2.49 132.00 130.74 3dm1 h PRO 70 Ca -0.11 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 3dm1 h PRO 70 Cb 1.04 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 3dm1 h PRO 70 CO 0.28 0.00 0.46 0.93 -0.23 0.00 0.00 178.00 179.44 3dm1 h GLU 71 N 0.00 0.53 -0.53 0.86 3.07 -1.96 -0.56 114.58 116.00 3dm1 h GLU 71 Ca 0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3dm1 h GLU 71 Cb 0.27 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3dm1 h GLU 71 CO 0.00 0.35 0.09 1.25 -1.40 0.00 0.00 179.01 179.30 3dm1 h LEU 72 N 0.54 0.83 -0.23 1.33 5.85 -1.88 0.33 115.31 122.09 3dm1 h LEU 72 Ca 0.32 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3dm1 h LEU 72 Cb 0.53 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3dm1 h LEU 72 CO -0.11 0.87 -0.14 0.40 -0.34 0.00 0.00 178.44 179.12 3dm1 h ILE 73 N 0.75 1.31 -0.48 4.05 2.04 -1.54 -2.48 117.51 121.16 3dm1 h ILE 73 Ca 0.16 -1.25 -0.11 0.00 1.00 0.00 0.00 64.86 64.66 3dm1 h ILE 73 Cb 0.39 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3dm1 h ILE 73 CO 0.01 0.39 -0.14 -0.33 0.00 0.00 0.00 178.15 178.08 3dm1 h GLU 74 N 0.21 0.91 -0.37 2.37 4.39 -1.00 -2.01 114.58 119.08 3dm1 h GLU 74 Ca 0.05 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.42 3dm1 h GLU 74 Cb 0.66 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3dm1 h GLU 74 CO 0.04 0.99 0.24 0.00 -1.16 0.00 0.00 179.01 179.12 3dm1 h ALA 75 N 1.03 0.47 -0.31 3.43 0.00 -0.96 0.14 119.26 123.06 3dm1 h ALA 75 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3dm1 h ALA 75 Cb 0.67 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3dm1 h ALA 75 CO 0.05 -0.08 -0.01 0.35 0.00 0.00 0.00 179.25 179.56 3dm1 h PHE 76 N 0.50 -0.04 -0.32 0.00 3.57 -1.30 -2.27 116.94 117.08 3dm1 h PHE 76 Ca 0.14 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3dm1 h PHE 76 Cb -0.05 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 3dm1 h PHE 76 CO -0.05 -0.06 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.50 3dm1 h LEU 77 N 0.08 0.90 -1.31 0.59 3.38 -1.20 -3.16 115.31 114.58 3dm1 h LEU 77 Ca 0.15 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3dm1 h LEU 77 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3dm1 h LEU 77 CO -0.26 1.21 -0.34 0.78 0.09 0.00 0.00 178.44 179.91 3dm1 h ASN 78 N 0.60 0.00 0.00 -0.43 2.35 -0.64 -3.08 115.58 114.39 3dm1 h ASN 78 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3dm1 h ASN 78 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3dm1 h ASN 78 CO 0.09 0.34 0.00 -1.54 -1.65 0.00 0.00 177.43 174.68 3dm1 n SER 79 N -4.08 0.00 0.00 5.81 3.41 -0.86 -2.36 113.62 115.53 3dm1 n SER 79 Ca -0.02 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 3dm1 n SER 79 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3dm1 n SER 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dm1 n GLN 80 N -0.85 0.43 0.00 4.33 6.02 -1.16 -5.10 117.38 121.05 3dm1 n GLN 80 Ca 0.12 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.26 3dm1 n GLN 80 Cb 0.06 -0.97 0.87 0.00 1.02 0.00 0.00 30.24 31.22 3dm1 n GLN 80 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68