#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl9 s SER 2 N 0.00 6.33 0.99 1.61 1.04 -1.26 -5.06 113.70 117.35 2dl9 s SER 2 Ca 0.00 -0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.30 2dl9 s SER 2 Cb 0.00 -2.27 0.18 0.00 0.10 0.00 0.00 66.02 64.03 2dl9 s SER 2 CO 0.00 -0.49 1.08 -0.44 0.98 0.00 0.00 173.24 174.38 2dl9 s SER 3 N 1.76 2.65 0.00 7.02 0.01 -1.26 -4.83 113.70 119.05 2dl9 s SER 3 Ca 0.19 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2dl9 s SER 3 Cb -0.15 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2dl9 s SER 3 CO 0.13 -3.14 0.00 0.61 0.41 0.00 0.00 173.24 171.25 2dl9 n GLY 4 N -0.80 0.62 3.24 3.44 0.00 -1.26 -5.09 105.19 105.35 2dl9 n GLY 4 Ca 0.06 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2dl9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl9 s SER 5 N -0.60 6.04 -1.37 1.61 0.15 -1.26 -4.99 113.70 113.28 2dl9 s SER 5 Ca 0.00 -2.30 -0.16 0.00 0.70 0.00 0.00 55.95 54.19 2dl9 s SER 5 Cb 0.00 -2.08 0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2dl9 s SER 5 CO 0.00 -0.63 1.99 -1.54 1.20 0.00 0.00 173.24 174.26 2dl9 n SER 6 N 4.43 4.33 -3.25 5.45 3.41 -1.26 -4.65 113.62 122.07 2dl9 n SER 6 Ca 0.00 -2.87 -0.28 0.00 -0.26 0.00 0.00 58.87 55.46 2dl9 n SER 6 Cb 0.42 -1.69 0.03 0.00 -0.26 0.00 0.00 64.21 62.71 2dl9 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl9 n GLY 7 N 4.74 0.14 1.03 5.00 0.00 -1.26 -4.94 105.19 109.90 2dl9 n GLY 7 Ca 0.50 0.82 -0.09 0.00 0.00 0.00 0.00 46.02 47.25 2dl9 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl9 n PRO 8 N 0.18 -1.65 0.21 1.61 -0.04 -1.26 -4.92 135.00 129.13 2dl9 n PRO 8 Ca -0.06 -0.52 0.06 0.00 -0.04 0.00 0.00 63.50 62.94 2dl9 n PRO 8 Cb 0.60 -0.48 0.46 0.00 -0.04 0.00 0.00 33.50 34.03 2dl9 n PRO 8 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2dl9 h PHE 9 N -1.87 0.00 -0.51 0.54 -1.00 -1.92 -3.39 116.94 108.79 2dl9 h PHE 9 Ca -0.12 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.45 2dl9 h PHE 9 Cb 0.37 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 2dl9 h PHE 9 CO 0.00 0.29 0.57 0.42 -1.61 0.00 0.00 178.31 177.98 2dl9 s ILE 10 N -4.13 3.33 0.48 -0.55 1.01 -1.26 -4.33 121.20 115.74 2dl9 s ILE 10 Ca -0.02 -0.38 0.34 0.00 0.00 0.00 0.00 60.65 60.59 2dl9 s ILE 10 Cb 0.14 -3.91 0.54 0.00 0.01 0.00 0.00 42.46 39.23 2dl9 s ILE 10 CO 0.68 -0.65 1.68 0.24 0.00 0.00 0.00 174.94 176.89 2dl9 h MET 11 N 11.28 0.10 -2.83 2.79 2.86 -1.76 -3.35 114.93 124.03 2dl9 h MET 11 Ca 0.09 -0.01 -0.29 0.00 -2.06 0.00 0.00 59.70 57.43 2dl9 h MET 11 Cb 0.99 -0.02 -0.35 0.00 0.06 0.00 0.00 31.60 32.27 2dl9 h MET 11 CO 1.15 0.07 -0.61 -0.51 1.06 0.00 0.00 176.91 178.06 2dl9 s ASP 12 N -4.66 0.95 0.10 1.22 1.11 -1.26 -4.94 116.67 109.20 2dl9 s ASP 12 Ca -0.07 0.15 -0.14 0.00 0.18 0.00 0.00 52.55 52.67 2dl9 s ASP 12 Cb 0.27 0.39 -0.06 0.00 1.07 0.00 0.00 42.92 44.58 2dl9 s ASP 12 CO 0.83 -0.28 0.50 0.00 1.18 0.00 0.00 175.17 177.40 2dl9 s ALA 13 N 2.33 3.63 0.67 5.23 0.00 -1.26 -0.44 121.76 131.91 2dl9 s ALA 13 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 2dl9 s ALA 13 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2dl9 s ALA 13 CO -0.09 0.48 1.11 -1.25 0.00 0.00 0.00 175.76 176.01 2dl9 s PRO 14 N -1.73 2.76 0.02 0.00 0.04 -0.55 -4.80 135.00 130.73 2dl9 s PRO 14 Ca 0.34 1.38 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2dl9 s PRO 14 Cb -0.15 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2dl9 s PRO 14 CO 0.18 -1.28 -0.09 0.50 0.04 0.00 0.00 177.00 176.35 2dl9 s ARG 15 N -4.15 0.65 0.10 4.56 3.52 -1.26 -4.75 118.95 117.62 2dl9 s ARG 15 Ca 0.67 -0.48 -0.23 0.00 -0.13 0.00 0.00 55.73 55.55 2dl9 s ARG 15 Cb -0.20 -0.58 -0.13 0.00 -1.56 0.00 0.00 34.95 32.47 2dl9 s ARG 15 CO 0.42 0.15 0.51 -0.40 -0.81 0.00 0.00 175.30 175.17 2dl9 n ASP 16 N 2.35 -0.61 -3.97 -2.12 5.75 -1.26 -4.82 116.55 111.87 2dl9 n ASP 16 Ca -0.16 0.83 -0.22 0.00 -0.01 0.00 0.00 54.79 55.22 2dl9 n ASP 16 Cb 0.56 -0.68 -0.16 0.00 -1.03 0.00 0.00 41.12 39.81 2dl9 n ASP 16 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2dl9 s LEU 17 N 1.47 1.55 -0.38 -2.12 2.96 -0.12 -4.91 118.68 117.13 2dl9 s LEU 17 Ca 0.53 -0.21 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 2dl9 s LEU 17 Cb -0.76 -0.63 0.05 0.00 0.50 0.00 0.00 46.19 45.35 2dl9 s LEU 17 CO 0.41 0.01 0.19 0.54 -1.32 0.00 0.00 176.35 176.17 2dl9 s ASN 18 N 0.68 5.57 0.11 3.68 4.22 -1.26 -2.49 114.94 125.45 2dl9 s ASN 18 Ca -0.12 -1.21 0.06 0.00 -2.14 0.00 0.00 52.86 49.45 2dl9 s ASN 18 Cb -0.14 -1.96 -0.04 0.00 1.28 0.00 0.00 41.25 40.39 2dl9 s ASN 18 CO 0.02 -0.42 -0.15 -0.51 -2.04 0.00 0.00 177.10 174.01 2dl9 s ILE 19 N 1.46 1.32 0.69 0.54 2.07 -0.79 -4.97 121.20 121.52 2dl9 s ILE 19 Ca 0.01 -1.62 -0.11 0.00 -1.41 0.00 0.00 60.65 57.52 2dl9 s ILE 19 Cb -0.20 -1.44 0.01 0.00 0.13 0.00 0.00 42.46 40.95 2dl9 s ILE 19 CO 0.04 -0.35 1.07 -0.44 -1.91 0.00 0.00 174.94 173.36 2dl9 s SER 20 N -2.26 5.54 0.48 4.50 0.01 -1.26 -3.53 113.70 117.18 2dl9 s SER 20 Ca 0.06 1.30 -0.22 0.00 1.31 0.00 0.00 55.95 58.41 2dl9 s SER 20 Cb -0.06 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.92 2dl9 s SER 20 CO 0.03 -1.30 1.13 -0.70 0.41 0.00 0.00 173.24 172.81 2dl9 s GLU 21 N -5.24 3.66 -0.99 12.44 -6.30 -0.61 -3.39 118.70 118.27 2dl9 s GLU 21 Ca 0.58 1.67 -0.01 0.00 -2.50 0.00 0.00 54.97 54.71 2dl9 s GLU 21 Cb -0.12 -2.26 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2dl9 s GLU 21 CO 0.53 -0.61 0.14 0.41 0.02 0.00 0.00 175.26 175.75 2dl9 n GLY 22 N 0.29 -0.09 3.42 -1.50 0.00 0.58 -4.57 105.19 103.32 2dl9 n GLY 22 Ca 0.09 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 2dl9 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dl9 s ARG 23 N -4.84 1.59 -0.12 1.61 0.52 -1.22 -4.86 118.95 111.63 2dl9 s ARG 23 Ca 0.07 -1.87 -0.20 0.00 -0.52 0.00 0.00 55.73 53.22 2dl9 s ARG 23 Cb -0.03 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.59 2dl9 s ARG 23 CO 0.09 -0.17 0.54 1.41 0.02 0.00 0.00 175.30 177.18 2dl9 s MET 24 N -3.89 4.35 0.19 3.54 1.75 -1.23 -2.49 119.30 121.51 2dl9 s MET 24 Ca 0.35 0.56 0.07 0.00 -1.25 0.00 0.00 55.69 55.42 2dl9 s MET 24 Cb 0.08 -3.45 -0.05 0.00 2.84 0.00 0.00 34.83 34.25 2dl9 s MET 24 CO 0.14 0.10 -0.13 0.00 -0.65 0.00 0.00 175.02 174.48 2dl9 s ALA 25 N 0.79 1.87 -0.12 4.11 0.00 -0.69 -4.96 121.76 122.75 2dl9 s ALA 25 Ca 0.29 -1.61 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 2dl9 s ALA 25 Cb -0.16 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.94 2dl9 s ALA 25 CO 0.12 0.03 0.40 -1.21 0.00 0.00 0.00 175.76 175.11 2dl9 s GLU 26 N -3.62 0.54 -0.28 0.00 2.02 -1.26 0.13 118.70 116.24 2dl9 s GLU 26 Ca 0.21 0.41 -0.07 0.00 0.02 0.00 0.00 54.97 55.53 2dl9 s GLU 26 Cb -0.00 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.48 2dl9 s GLU 26 CO 0.05 -0.09 0.07 -0.51 0.02 0.00 0.00 175.26 174.80 2dl9 s LEU 27 N -0.15 3.66 -0.40 1.80 1.43 -0.32 -4.95 118.68 119.75 2dl9 s LEU 27 Ca -0.03 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 2dl9 s LEU 27 Cb -0.03 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2dl9 s LEU 27 CO 0.02 -0.13 1.69 -0.54 0.23 0.00 0.00 176.35 177.62 2dl9 s LYS 28 N 1.54 3.30 -0.14 1.70 -0.14 -1.26 -3.26 119.74 121.49 2dl9 s LYS 28 Ca 0.04 1.15 -0.06 0.00 -1.36 0.00 0.00 55.97 55.75 2dl9 s LYS 28 Cb -0.16 -4.17 0.06 0.00 -1.68 0.00 0.00 37.83 31.87 2dl9 s LYS 28 CO 0.03 -1.90 0.30 0.00 -0.76 0.00 0.00 175.35 173.02 2dl9 s ARG 30 N 1.87 2.99 0.11 0.00 1.81 0.41 -4.00 118.95 122.14 2dl9 s ARG 30 Ca -0.05 -0.54 0.07 0.00 -1.72 0.00 0.00 55.73 53.49 2dl9 s ARG 30 Cb -0.11 -2.67 -0.04 0.00 -0.45 0.00 0.00 34.95 31.69 2dl9 s ARG 30 CO -0.10 0.55 -0.17 0.95 -0.68 0.00 0.00 175.30 175.86 2dl9 s THR 31 N -0.51 1.48 0.96 0.02 -4.23 -1.25 -3.24 115.64 108.88 2dl9 s THR 31 Ca 0.08 -1.60 -0.12 0.00 -1.18 0.00 0.00 61.69 58.87 2dl9 s THR 31 Cb -0.12 -1.48 0.17 0.00 1.34 0.00 0.00 72.50 72.41 2dl9 s THR 31 CO 0.02 -0.24 1.09 -2.16 -0.54 0.00 0.00 174.62 172.79 2dl9 s PRO 32 N -2.22 0.72 0.39 3.99 0.04 -1.26 -4.94 135.00 131.72 2dl9 s PRO 32 Ca 0.07 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.48 2dl9 s PRO 32 Cb -0.08 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2dl9 s PRO 32 CO 0.04 -2.56 1.19 -1.25 0.04 0.00 0.00 177.00 174.46 2dl9 s PRO 33 N -4.95 4.08 -1.26 0.56 0.04 -1.26 -3.41 135.00 128.81 2dl9 s PRO 33 Ca 0.65 1.90 -0.07 0.00 0.04 0.00 0.00 61.00 63.52 2dl9 s PRO 33 Cb -0.18 -2.73 0.01 0.00 0.04 0.00 0.00 34.50 31.63 2dl9 s PRO 33 CO 0.57 -0.31 1.09 -1.33 0.04 0.00 0.00 177.00 177.06 2dl9 n MET 34 N 0.17 -7.33 -4.39 4.56 2.81 -1.26 -4.99 117.12 106.69 2dl9 n MET 34 Ca 0.04 0.79 -0.23 0.00 -1.81 0.00 0.00 57.70 56.48 2dl9 n MET 34 Cb 0.46 -5.70 -0.11 0.00 -0.71 0.00 0.00 33.22 27.16 2dl9 n MET 34 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2dl9 s SER 35 N -3.48 3.08 -0.12 7.83 1.04 -1.22 -4.65 113.70 116.18 2dl9 s SER 35 Ca 0.46 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 2dl9 s SER 35 Cb -0.20 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2dl9 s SER 35 CO 0.69 0.02 0.46 -0.44 0.98 0.00 0.00 173.24 174.94 2dl9 s SER 36 N -2.88 6.66 -0.15 7.02 0.01 -0.43 -4.99 113.70 118.94 2dl9 s SER 36 Ca 0.21 0.78 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2dl9 s SER 36 Cb -0.06 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 2dl9 s SER 36 CO 0.09 0.02 -0.09 -0.69 0.41 0.00 0.00 173.24 172.98 2dl9 s VAL 37 N 0.59 3.37 0.11 3.43 1.01 -1.26 -3.17 120.40 124.48 2dl9 s VAL 37 Ca 0.25 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 2dl9 s VAL 37 Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2dl9 s VAL 37 CO 0.10 0.50 0.17 -0.54 0.00 0.00 0.00 175.10 175.33 2dl9 s LYS 38 N 0.50 0.91 -0.05 2.72 1.02 -1.21 -4.17 119.74 119.46 2dl9 s LYS 38 Ca -0.06 -1.11 -0.02 0.00 0.02 0.00 0.00 55.97 54.79 2dl9 s LYS 38 Cb -0.15 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.52 2dl9 s LYS 38 CO 0.04 -0.29 0.08 -1.58 -0.92 0.00 0.00 175.35 172.68 2dl9 s TRP 39 N -3.92 -0.01 0.03 3.18 0.52 -1.04 -2.11 118.94 115.59 2dl9 s TRP 39 Ca 0.11 0.32 -0.15 0.00 0.02 0.00 0.00 56.10 56.40 2dl9 s TRP 39 Cb 0.05 -0.38 -0.06 0.00 -1.15 0.00 0.00 33.47 31.93 2dl9 s TRP 39 CO -0.06 -0.19 0.45 -1.17 0.02 0.00 0.00 176.95 176.00 2dl9 s LEU 40 N 1.97 4.46 0.12 2.99 0.20 -0.67 -1.14 118.68 126.61 2dl9 s LEU 40 Ca 0.02 1.01 0.02 0.00 0.69 0.00 0.00 54.13 55.87 2dl9 s LEU 40 Cb -0.12 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.86 2dl9 s LEU 40 CO -0.04 0.28 0.24 -0.76 -0.29 0.00 0.00 176.35 175.78 2dl9 s LEU 41 N -1.25 4.28 0.00 -0.68 2.01 0.13 -2.97 118.68 120.21 2dl9 s LEU 41 Ca 0.27 0.17 0.09 0.00 0.01 0.00 0.00 54.13 54.67 2dl9 s LEU 41 Cb -0.17 -2.87 0.53 0.00 0.01 0.00 0.00 46.19 43.69 2dl9 s LEU 41 CO 0.15 0.10 0.97 -0.81 1.01 0.00 0.00 176.35 177.77 2dl9 n PRO 42 N -0.21 0.49 -0.00 1.29 -0.04 -1.22 -1.92 135.00 133.38 2dl9 n PRO 42 Ca -0.07 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.49 2dl9 n PRO 42 Cb 0.53 -1.29 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 2dl9 n PRO 42 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2dl9 n ASN 43 N -0.79 0.62 0.00 3.54 0.23 -1.26 -4.98 115.26 112.62 2dl9 n ASN 43 Ca 0.07 -0.52 0.00 0.00 -0.53 0.00 0.00 54.58 53.60 2dl9 n ASN 43 Cb 0.03 1.45 0.00 0.00 -2.08 0.00 0.00 39.78 39.18 2dl9 n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dl9 n GLY 44 N 1.40 0.77 3.77 4.83 0.00 -0.81 -5.15 105.19 110.00 2dl9 n GLY 44 Ca 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 2dl9 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl9 s THR 45 N -1.48 0.00 -0.09 2.61 2.01 -1.25 -4.98 115.64 112.46 2dl9 s THR 45 Ca 0.00 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2dl9 s THR 45 Cb 0.00 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2dl9 s THR 45 CO 0.00 0.00 0.26 -0.69 -0.69 0.00 0.00 174.62 173.50 2dl9 s VAL 46 N -3.27 0.01 0.49 3.82 1.01 -1.26 0.20 120.40 121.41 2dl9 s VAL 46 Ca 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2dl9 s VAL 46 Cb -0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.97 2dl9 s VAL 46 CO 0.03 -0.05 0.21 -0.76 0.00 0.00 0.00 175.10 174.54 2dl9 s LEU 47 N -0.07 2.70 0.23 3.92 1.43 -0.29 -4.92 118.68 121.67 2dl9 s LEU 47 Ca -0.02 -1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 51.53 2dl9 s LEU 47 Cb -0.02 -1.12 0.04 0.00 0.03 0.00 0.00 46.19 45.11 2dl9 s LEU 47 CO 0.01 -0.86 0.75 -0.55 0.23 0.00 0.00 176.35 175.92 2dl9 s SER 48 N -4.05 -0.30 0.57 2.29 0.15 -1.26 -2.51 113.70 108.59 2dl9 s SER 48 Ca 0.28 -0.45 0.38 0.00 0.70 0.00 0.00 55.95 56.86 2dl9 s SER 48 Cb 0.01 0.65 1.44 0.00 -1.71 0.00 0.00 66.02 66.41 2dl9 s SER 48 CO 0.16 -1.18 1.60 -0.74 1.20 0.00 0.00 173.24 174.28 2dl9 h HIS 49 N 2.00 0.00 0.09 3.44 2.76 -1.82 0.32 115.15 121.94 2dl9 h HIS 49 Ca -0.23 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2dl9 h HIS 49 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2dl9 h HIS 49 CO 0.38 0.00 -0.04 0.00 -1.30 0.00 0.00 177.93 176.97 2dl9 h ALA 50 N 1.04 -0.12 -1.07 5.26 0.00 -1.94 -3.46 119.26 118.96 2dl9 h ALA 50 Ca 0.63 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 54.81 2dl9 h ALA 50 Cb 2.82 0.05 0.10 0.00 0.00 0.00 0.00 17.79 20.77 2dl9 h ALA 50 CO -0.01 -0.26 -0.60 -1.13 0.00 0.00 0.00 179.25 177.25 2dl9 n SER 51 N -4.87 -1.75 -1.19 0.00 3.41 0.11 -4.85 113.62 104.48 2dl9 n SER 51 Ca -0.08 0.65 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 2dl9 n SER 51 Cb 0.28 -0.65 0.30 0.00 -0.26 0.00 0.00 64.21 63.88 2dl9 n SER 51 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dl9 n ARG 52 N 0.90 3.50 -1.63 4.33 0.63 -1.26 -4.88 116.66 118.25 2dl9 n ARG 52 Ca 0.09 -2.83 -0.49 0.00 -0.92 0.00 0.00 57.85 53.71 2dl9 n ARG 52 Cb 0.26 -1.88 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 2dl9 n ARG 52 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2dl9 n HIS 53 N 0.12 1.86 0.03 -0.14 -0.00 -1.26 -4.91 115.22 110.92 2dl9 n HIS 53 Ca 0.22 0.47 -0.13 0.00 0.46 0.00 0.00 57.72 58.75 2dl9 n HIS 53 Cb 0.91 -2.43 -0.09 0.00 -0.12 0.00 0.00 29.99 28.26 2dl9 n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2dl9 h PRO 54 N 5.10 -0.11 0.09 1.57 0.13 -2.00 -3.39 132.00 133.39 2dl9 h PRO 54 Ca -0.46 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dl9 h PRO 54 Cb 1.30 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2dl9 h PRO 54 CO 0.82 0.33 -0.04 0.00 -0.23 0.00 0.00 178.00 178.88 2dl9 h ARG 55 N -0.60 -0.12 -6.10 0.86 3.08 -1.90 -3.41 114.38 106.19 2dl9 h ARG 55 Ca -0.01 0.01 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2dl9 h ARG 55 Cb 0.49 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 2dl9 h ARG 55 CO 0.02 -0.08 1.28 0.42 -1.07 0.00 0.00 179.97 180.55 2dl9 s ILE 56 N -2.23 3.46 -0.24 2.04 1.01 -1.24 -2.00 121.20 122.00 2dl9 s ILE 56 Ca -0.02 0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 2dl9 s ILE 56 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2dl9 s ILE 56 CO 0.05 -1.00 -0.03 -0.44 0.00 0.00 0.00 174.94 173.52 2dl9 s SER 57 N 7.00 4.38 -0.67 3.58 0.01 0.80 -4.41 113.70 124.39 2dl9 s SER 57 Ca 0.63 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 57.10 2dl9 s SER 57 Cb -0.13 -1.73 0.07 0.00 0.21 0.00 0.00 66.02 64.44 2dl9 s SER 57 CO 0.22 -0.07 0.98 -0.69 0.41 0.00 0.00 173.24 174.09 2dl9 s VAL 58 N 1.44 4.30 0.42 3.43 1.01 -1.26 -0.74 120.40 129.00 2dl9 s VAL 58 Ca 0.04 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 2dl9 s VAL 58 Cb -0.15 -4.70 -0.08 0.00 0.00 0.00 0.00 36.38 31.45 2dl9 s VAL 58 CO -0.03 -1.48 1.22 -0.76 0.00 0.00 0.00 175.10 174.05 2dl9 s LEU 59 N 4.13 4.15 0.12 3.92 1.43 0.21 -4.62 118.68 128.01 2dl9 s LEU 59 Ca 0.23 2.45 -0.26 0.00 -1.03 0.00 0.00 54.13 55.52 2dl9 s LEU 59 Cb -0.16 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 2dl9 s LEU 59 CO 0.10 -0.82 1.43 -1.13 0.23 0.00 0.00 176.35 176.17 2dl9 h ASN 60 N 2.48 -1.61 -0.83 2.29 -0.73 -1.95 0.29 115.58 115.52 2dl9 h ASN 60 Ca -0.49 0.23 0.33 0.00 1.87 0.00 0.00 56.30 58.24 2dl9 h ASN 60 Cb 1.24 0.69 -0.15 0.00 0.27 0.00 0.00 38.32 40.37 2dl9 h ASN 60 CO 0.62 -0.25 0.38 -0.90 -0.37 0.00 0.00 177.43 176.91 2dl9 n ASP 61 N -4.81 0.23 0.00 1.15 5.68 -1.26 -4.70 116.55 112.84 2dl9 n ASP 61 Ca -0.01 1.39 0.00 0.00 -0.50 0.00 0.00 54.79 55.67 2dl9 n ASP 61 Cb 0.24 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 2dl9 n ASP 61 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dl9 n GLY 62 N -1.25 0.94 3.28 6.12 0.00 0.10 -3.88 105.19 110.51 2dl9 n GLY 62 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 2dl9 n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl9 s THR 63 N -1.18 1.88 -0.47 2.61 2.01 -1.18 -3.82 115.64 115.49 2dl9 s THR 63 Ca 0.00 -1.17 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 2dl9 s THR 63 Cb 0.00 -1.60 0.07 0.00 0.01 0.00 0.00 72.50 70.98 2dl9 s THR 63 CO 0.00 0.38 0.43 -0.22 -0.69 0.00 0.00 174.62 174.52 2dl9 s LEU 64 N -0.94 5.50 0.16 4.42 2.96 -1.20 -0.62 118.68 128.96 2dl9 s LEU 64 Ca 0.09 -1.24 -0.05 0.00 -0.22 0.00 0.00 54.13 52.71 2dl9 s LEU 64 Cb -0.09 -2.22 -0.06 0.00 0.50 0.00 0.00 46.19 44.32 2dl9 s LEU 64 CO 0.01 -0.67 0.40 0.21 -1.32 0.00 0.00 176.35 174.97 2dl9 s ASN 65 N 2.57 6.50 -0.25 3.68 3.84 0.08 -1.17 114.94 130.18 2dl9 s ASN 65 Ca 0.06 0.61 -0.01 0.00 0.21 0.00 0.00 52.86 53.73 2dl9 s ASN 65 Cb -0.23 -2.10 0.08 0.00 -0.55 0.00 0.00 41.25 38.44 2dl9 s ASN 65 CO 0.08 0.03 0.04 -0.36 -2.79 0.00 0.00 177.10 174.09 2dl9 s PHE 66 N -1.69 1.66 0.17 0.43 0.40 0.12 -0.14 117.98 118.93 2dl9 s PHE 66 Ca 0.42 -1.44 -0.22 0.00 -0.60 0.00 0.00 56.93 55.08 2dl9 s PHE 66 Cb -0.12 -1.46 0.08 0.00 0.51 0.00 0.00 43.02 42.04 2dl9 s PHE 66 CO 0.25 -0.76 1.59 1.03 0.70 0.00 0.00 175.22 178.03 2dl9 h SER 67 N 8.10 -1.16 -1.88 1.36 0.87 -1.62 -1.85 113.55 117.37 2dl9 h SER 67 Ca -0.15 0.21 -0.18 0.00 -1.23 0.00 0.00 61.79 60.44 2dl9 h SER 67 Cb 1.07 0.56 -0.30 0.00 -0.44 0.00 0.00 62.40 63.28 2dl9 h SER 67 CO 0.41 -0.32 -0.51 -1.38 -0.53 0.00 0.00 176.83 174.50 2dl9 s HIS 68 N -5.98 -0.83 0.71 2.24 -3.43 -1.23 -3.56 115.29 103.21 2dl9 s HIS 68 Ca -0.15 0.58 -0.12 0.00 -0.80 0.00 0.00 55.06 54.57 2dl9 s HIS 68 Cb 0.14 -0.08 0.02 0.00 -1.43 0.00 0.00 32.58 31.23 2dl9 s HIS 68 CO 0.68 -0.81 1.08 0.14 -2.00 0.00 0.00 174.74 173.84 2dl9 s VAL 69 N 2.52 3.53 0.20 -5.38 -7.23 -1.04 -4.69 120.40 108.31 2dl9 s VAL 69 Ca 0.11 0.57 0.03 0.00 -1.81 0.00 0.00 61.98 60.88 2dl9 s VAL 69 Cb -0.14 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.62 2dl9 s VAL 69 CO -0.21 -0.57 -0.00 -0.76 -0.31 0.00 0.00 175.10 173.24 2dl9 s LEU 70 N -5.40 2.14 0.53 1.32 1.43 -1.26 -0.31 118.68 117.13 2dl9 s LEU 70 Ca 0.62 -1.19 0.36 0.00 -1.03 0.00 0.00 54.13 52.89 2dl9 s LEU 70 Cb -0.17 -0.15 1.86 0.00 0.03 0.00 0.00 46.19 47.77 2dl9 s LEU 70 CO 0.50 -0.54 2.09 -0.07 0.23 0.00 0.00 176.35 178.56 2dl9 h LEU 71 N 2.60 0.00 0.00 1.79 3.38 -1.97 0.70 115.31 121.81 2dl9 h LEU 71 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dl9 h LEU 71 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2dl9 h LEU 71 CO 0.63 0.00 -0.44 -1.20 0.09 0.00 0.00 178.44 177.52 2dl9 n SER 72 N -2.81 0.45 0.05 -0.43 7.64 -1.26 -3.58 113.62 113.68 2dl9 n SER 72 Ca -0.02 -0.09 0.12 0.00 1.01 0.00 0.00 58.87 59.90 2dl9 n SER 72 Cb 0.11 0.12 0.21 0.00 -1.01 0.00 0.00 64.21 63.64 2dl9 n SER 72 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dl9 n ASP 73 N -1.59 0.64 -4.68 6.43 8.00 0.23 -4.91 116.55 120.68 2dl9 n ASP 73 Ca 0.05 0.09 -0.45 0.00 0.71 0.00 0.00 54.79 55.19 2dl9 n ASP 73 Cb 0.35 0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.53 2dl9 n ASP 73 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2dl9 n THR 74 N -1.99 0.15 0.00 -3.53 -1.04 -1.21 -4.75 114.28 101.91 2dl9 n THR 74 Ca 0.04 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2dl9 n THR 74 Cb 0.42 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2dl9 n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dl9 n GLY 75 N 3.30 -0.57 2.84 3.41 0.00 -1.12 -5.00 105.19 108.06 2dl9 n GLY 75 Ca 0.16 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2dl9 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dl9 s VAL 76 N -1.09 0.20 -0.29 1.61 1.01 -1.26 -1.95 120.40 118.63 2dl9 s VAL 76 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2dl9 s VAL 76 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2dl9 s VAL 76 CO 0.00 0.13 0.04 -0.31 0.00 0.00 0.00 175.10 174.95 2dl9 s TYR 77 N 0.76 3.15 -0.31 5.22 1.51 0.55 -3.39 117.35 124.85 2dl9 s TYR 77 Ca -0.08 -1.28 -0.14 0.00 -1.01 0.00 0.00 57.07 54.56 2dl9 s TYR 77 Cb -0.11 -2.19 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2dl9 s TYR 77 CO -0.01 -0.66 0.34 0.99 -1.11 0.00 0.00 175.55 175.09 2dl9 s THR 78 N 1.42 5.19 -0.04 -0.71 2.01 -1.16 -2.20 115.64 120.16 2dl9 s THR 78 Ca 0.01 0.21 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 2dl9 s THR 78 Cb -0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2dl9 s THR 78 CO 0.00 0.03 0.66 0.00 -0.69 0.00 0.00 174.62 174.62 2dl9 s MET 80 N 0.39 3.00 -0.18 0.00 -1.94 -0.90 -1.07 119.30 118.60 2dl9 s MET 80 Ca 0.35 -0.45 -0.04 0.00 -1.71 0.00 0.00 55.69 53.84 2dl9 s MET 80 Cb -0.18 -2.82 0.06 0.00 2.01 0.00 0.00 34.83 33.90 2dl9 s MET 80 CO 0.18 0.68 0.06 0.08 -0.01 0.00 0.00 175.02 176.00 2dl9 s VAL 81 N -1.04 0.27 -0.10 -6.03 1.01 -0.51 -3.31 120.40 110.70 2dl9 s VAL 81 Ca 0.18 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2dl9 s VAL 81 Cb -0.12 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 2dl9 s VAL 81 CO 0.08 -0.24 -0.22 -0.89 0.00 0.00 0.00 175.10 173.83 2dl9 s THR 82 N 1.97 2.26 0.30 3.92 2.01 -1.19 -1.09 115.64 123.83 2dl9 s THR 82 Ca 0.00 -0.96 0.04 0.00 0.31 0.00 0.00 61.69 61.08 2dl9 s THR 82 Cb -0.17 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2dl9 s THR 82 CO -0.08 0.56 0.29 0.21 -0.69 0.00 0.00 174.62 174.90 2dl9 s ASN 83 N 0.21 1.20 0.21 3.53 3.84 -0.62 -1.31 114.94 122.00 2dl9 s ASN 83 Ca -0.14 -1.62 0.25 0.00 0.21 0.00 0.00 52.86 51.56 2dl9 s ASN 83 Cb -0.17 0.54 0.63 0.00 -0.55 0.00 0.00 41.25 41.71 2dl9 s ASN 83 CO 0.07 -1.06 1.63 1.62 -2.79 0.00 0.00 177.10 176.57 2dl9 h VAL 84 N 2.23 0.00 0.07 -5.21 3.04 -1.94 -3.32 116.25 111.12 2dl9 h VAL 84 Ca -0.28 -0.54 -0.37 0.00 -1.01 0.00 0.00 66.70 64.50 2dl9 h VAL 84 Cb 1.24 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.90 2dl9 h VAL 84 CO 0.40 0.00 -2.16 0.00 -1.01 0.00 0.00 177.57 174.80 2dl9 n ALA 85 N -1.83 1.10 -3.55 3.17 0.00 -1.26 -5.07 120.51 113.06 2dl9 n ALA 85 Ca 0.05 -0.79 0.04 0.00 0.00 0.00 0.00 53.44 52.74 2dl9 n ALA 85 Cb 0.44 -0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.48 2dl9 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dl9 n GLY 86 N 2.04 0.94 3.04 0.00 0.00 -1.25 -5.18 105.19 104.77 2dl9 n GLY 86 Ca -0.38 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2dl9 n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dl9 s ASN 87 N -2.48 0.62 0.31 1.61 2.47 -1.26 -1.59 114.94 114.61 2dl9 s ASN 87 Ca 0.14 -0.56 -0.13 0.00 0.42 0.00 0.00 52.86 52.72 2dl9 s ASN 87 Cb -0.02 0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.87 2dl9 s ASN 87 CO 0.04 -0.26 0.62 -0.44 -3.72 0.00 0.00 177.10 173.34 2dl9 s SER 88 N -1.63 0.10 0.18 -4.21 0.01 -0.25 -4.92 113.70 102.98 2dl9 s SER 88 Ca -0.11 -1.03 -0.17 0.00 1.31 0.00 0.00 55.95 55.96 2dl9 s SER 88 Cb -0.09 0.71 0.03 0.00 0.21 0.00 0.00 66.02 66.88 2dl9 s SER 88 CO -0.01 -1.38 0.48 0.54 0.41 0.00 0.00 173.24 173.29 2dl9 s ASN 89 N -3.05 -0.24 0.08 2.44 4.22 -1.26 -1.42 114.94 115.71 2dl9 s ASN 89 Ca 0.19 -0.48 -0.15 0.00 -2.14 0.00 0.00 52.86 50.29 2dl9 s ASN 89 Cb -0.03 0.55 0.03 0.00 1.28 0.00 0.00 41.25 43.08 2dl9 s ASN 89 CO 0.11 -1.00 0.36 0.00 -2.04 0.00 0.00 177.10 174.53 2dl9 s ALA 90 N -3.87 -0.82 0.33 3.54 0.00 -0.23 -4.98 121.76 115.73 2dl9 s ALA 90 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.10 2dl9 s ALA 90 Cb -0.00 0.50 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 2dl9 s ALA 90 CO -0.04 -0.53 -0.01 -1.12 0.00 0.00 0.00 175.76 174.05 2dl9 s SER 91 N -2.44 2.96 -0.30 0.00 0.01 -1.26 0.58 113.70 113.26 2dl9 s SER 91 Ca -0.01 -1.28 -0.16 0.00 1.31 0.00 0.00 55.95 55.81 2dl9 s SER 91 Cb 0.01 -0.21 0.18 0.00 0.21 0.00 0.00 66.02 66.21 2dl9 s SER 91 CO -0.07 -0.43 1.11 0.00 0.41 0.00 0.00 173.24 174.26 2dl9 s ALA 92 N -3.00 -2.61 0.04 1.44 0.00 -0.93 -4.55 121.76 112.15 2dl9 s ALA 92 Ca 0.33 2.05 -0.19 0.00 0.00 0.00 0.00 51.96 54.15 2dl9 s ALA 92 Cb 0.06 -1.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2dl9 s ALA 92 CO 0.15 -0.52 0.55 -0.47 0.00 0.00 0.00 175.76 175.46 2dl9 s TYR 93 N 1.53 3.77 -0.24 0.00 6.14 -1.26 -0.33 117.35 126.96 2dl9 s TYR 93 Ca -0.06 1.21 0.02 0.00 0.64 0.00 0.00 57.07 58.88 2dl9 s TYR 93 Cb -0.03 -2.49 0.05 0.00 0.42 0.00 0.00 41.96 39.91 2dl9 s TYR 93 CO -0.14 0.54 -0.13 -1.17 0.64 0.00 0.00 175.55 175.29 2dl9 s LEU 94 N -0.88 3.02 -0.20 6.97 2.96 -0.82 -0.94 118.68 128.78 2dl9 s LEU 94 Ca 0.28 -1.18 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 2dl9 s LEU 94 Cb -0.19 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2dl9 s LEU 94 CO 0.18 -0.15 0.37 0.21 -1.32 0.00 0.00 176.35 175.64 2dl9 s ASN 95 N 1.18 6.42 -0.21 3.68 2.47 -1.04 -2.79 114.94 124.66 2dl9 s ASN 95 Ca -0.05 0.49 0.00 0.00 0.42 0.00 0.00 52.86 53.72 2dl9 s ASN 95 Cb -0.18 -2.22 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2dl9 s ASN 95 CO -0.07 -0.04 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.43 2dl9 s VAL 96 N 1.17 2.36 -0.13 -5.21 1.01 -1.25 -1.89 120.40 116.46 2dl9 s VAL 96 Ca 0.18 -0.99 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2dl9 s VAL 96 Cb -0.14 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2dl9 s VAL 96 CO 0.07 0.40 -0.12 -0.55 0.00 0.00 0.00 175.10 174.90 2dl9 s SER 97 N 1.29 4.07 0.39 3.32 0.15 -1.23 -4.73 113.70 116.97 2dl9 s SER 97 Ca 0.03 -0.31 -0.24 0.00 0.70 0.00 0.00 55.95 56.13 2dl9 s SER 97 Cb -0.15 -1.61 -0.12 0.00 -1.71 0.00 0.00 66.02 62.43 2dl9 s SER 97 CO -0.10 0.17 0.74 -0.24 1.20 0.00 0.00 173.24 175.01 2dl9 n SER 98 N 3.50 -0.00 -4.91 5.45 2.88 -1.26 -1.57 113.62 117.70 2dl9 n SER 98 Ca -0.18 0.99 -0.20 0.00 -1.33 0.00 0.00 58.87 58.15 2dl9 n SER 98 Cb 0.53 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.77 2dl9 n SER 98 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dl9 s GLY 99 N -0.85 2.09 0.46 0.46 0.00 -1.26 -4.78 107.32 103.44 2dl9 s GLY 99 Ca 0.63 -1.82 0.25 0.00 0.00 0.00 0.00 44.72 43.78 2dl9 s GLY 99 CO 0.58 -1.67 1.89 -0.56 0.00 0.00 0.00 173.10 173.34 2dl9 h PRO 100 N 0.89 0.00 -6.42 2.90 0.13 -1.95 -3.45 132.00 124.09 2dl9 h PRO 100 Ca -0.40 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.10 2dl9 h PRO 100 Cb 1.27 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.48 2dl9 h PRO 100 CO 0.54 0.20 0.38 0.43 -0.23 0.00 0.00 178.00 179.32 2dl9 n SER 101 N -3.44 1.81 -3.94 1.44 7.64 -1.26 -4.96 113.62 110.91 2dl9 n SER 101 Ca -0.00 1.14 -0.31 0.00 1.01 0.00 0.00 58.87 60.71 2dl9 n SER 101 Cb 0.38 -1.29 -0.15 0.00 -1.01 0.00 0.00 64.21 62.14 2dl9 n SER 101 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dl9 s SER 102 N 0.08 4.17 0.00 6.43 0.01 -1.26 -5.20 113.70 117.94 2dl9 s SER 102 Ca 0.71 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.46 2dl9 s SER 102 Cb -0.78 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2dl9 s SER 102 CO 0.51 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.48