#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdn n GLY 2 N 0.00 0.23 2.45 3.03 0.00 -1.26 -4.92 105.19 104.72 2kdn n GLY 2 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kdn n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kdn n SER 3 N 0.00 -5.02 -4.58 1.61 7.64 -1.26 -4.95 113.62 107.07 2kdn n SER 3 Ca 0.00 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.78 2kdn n SER 3 Cb 0.00 -4.03 -0.06 0.00 -1.01 0.00 0.00 64.21 59.12 2kdn n SER 3 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kdn s SER 4 N -2.69 6.52 -0.62 6.43 0.01 -1.26 -4.91 113.70 117.17 2kdn s SER 4 Ca 0.00 0.30 -0.01 0.00 1.31 0.00 0.00 55.95 57.55 2kdn s SER 4 Cb 0.00 -2.37 0.46 0.00 0.21 0.00 0.00 66.02 64.31 2kdn s SER 4 CO 0.00 -0.68 1.95 1.41 0.41 0.00 0.00 173.24 176.32 2kdn n HIS 5 N 6.28 3.17 -1.70 2.43 -0.00 -1.26 -5.01 115.22 119.14 2kdn n HIS 5 Ca 0.02 -2.92 -0.44 0.00 -0.00 0.00 0.00 57.72 54.38 2kdn n HIS 5 Cb 0.48 -1.33 -0.03 0.00 -0.00 0.00 0.00 29.99 29.12 2kdn n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kdn n HIS 6 N -0.91 2.44 -3.05 4.41 -0.00 -1.26 -4.95 115.22 111.92 2kdn n HIS 6 Ca 0.61 0.31 -0.40 0.00 -0.00 0.00 0.00 57.72 58.24 2kdn n HIS 6 Cb 0.72 -2.54 -0.05 0.00 -0.00 0.00 0.00 29.99 28.12 2kdn n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kdn s HIS 7 N 0.26 3.44 -0.38 1.57 0.09 -1.26 -5.03 115.29 113.98 2kdn s HIS 7 Ca 0.70 1.09 -0.08 0.00 -0.00 0.00 0.00 55.06 56.76 2kdn s HIS 7 Cb -0.60 -2.85 0.05 0.00 -0.00 0.00 0.00 32.58 29.19 2kdn s HIS 7 CO 0.45 -0.12 0.19 -1.58 -0.00 0.00 0.00 174.74 173.68 2kdn s HIS 8 N 1.69 3.30 0.22 1.40 5.65 -1.26 -5.07 115.29 121.21 2kdn s HIS 8 Ca 0.33 -1.40 -0.30 0.00 0.25 0.00 0.00 55.06 53.94 2kdn s HIS 8 Cb -0.16 -2.61 -0.10 0.00 -1.18 0.00 0.00 32.58 28.53 2kdn s HIS 8 CO 0.13 -0.77 1.44 -3.38 -0.65 0.00 0.00 174.74 171.50 2kdn s HIS 9 N 1.44 3.07 0.02 3.88 0.00 -1.26 -5.02 115.29 117.42 2kdn s HIS 9 Ca 0.01 1.00 0.03 0.00 -3.00 0.00 0.00 55.06 53.10 2kdn s HIS 9 Cb -0.21 -3.80 -0.01 0.00 -4.00 0.00 0.00 32.58 24.56 2kdn s HIS 9 CO 0.03 -2.64 -0.08 -3.38 -1.00 0.00 0.00 174.74 167.67 2kdn s HIS 10 N 0.22 0.74 -0.46 0.38 0.00 -1.26 -5.11 115.29 109.80 2kdn s HIS 10 Ca 0.61 -0.29 -0.29 0.00 -3.00 0.00 0.00 55.06 52.08 2kdn s HIS 10 Cb -0.41 -0.45 0.03 0.00 -4.00 0.00 0.00 32.58 27.75 2kdn s HIS 10 CO 0.40 -0.03 1.16 0.45 -1.00 0.00 0.00 174.74 175.73 2kdn s SER 11 N -0.84 6.62 -0.13 7.38 0.15 -1.26 -4.82 113.70 120.79 2kdn s SER 11 Ca -0.02 0.53 0.17 0.00 0.70 0.00 0.00 55.95 57.33 2kdn s SER 11 Cb -0.06 -2.55 0.43 0.00 -1.71 0.00 0.00 66.02 62.13 2kdn s SER 11 CO 0.00 -1.25 1.20 -1.20 1.20 0.00 0.00 173.24 173.19 2kdn n SER 12 N 7.89 1.52 -0.29 5.45 7.64 -1.26 -4.88 113.62 129.69 2kdn n SER 12 Ca 0.12 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2kdn n SER 12 Cb 0.49 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 2kdn n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kdn n GLY 13 N -0.47 0.32 0.11 0.23 0.00 -1.26 -2.81 105.19 101.31 2kdn n GLY 13 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2kdn n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kdn n ARG 14 N -0.14 0.58 -0.69 1.61 1.74 -1.26 -4.40 116.66 114.10 2kdn n ARG 14 Ca 0.00 0.53 -0.13 0.00 -0.77 0.00 0.00 57.85 57.47 2kdn n ARG 14 Cb 0.11 -1.72 0.10 0.00 -1.02 0.00 0.00 32.46 29.92 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2kdn n GLU 15 N -4.34 1.70 0.15 5.56 0.28 -1.12 -4.19 120.64 118.67 2kdn n GLU 15 Ca -0.34 -1.68 0.13 0.00 -0.16 0.00 0.00 57.16 55.11 2kdn n GLU 15 Cb 0.73 -1.66 0.51 0.00 1.43 0.00 0.00 31.44 32.45 2kdn n GLU 15 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2kdn h ASN 16 N 0.58 0.00 0.94 -1.84 7.08 -1.77 -2.45 115.58 118.12 2kdn h ASN 16 Ca 0.36 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.58 2kdn h ASN 16 Cb 2.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.26 2kdn h ASN 16 CO 0.62 0.00 -0.12 0.18 -2.08 0.00 0.00 177.43 176.03 2kdn n LEU 17 N -2.37 0.20 -4.94 6.14 4.77 -1.26 -4.86 117.00 114.68 2kdn n LEU 17 Ca 0.02 0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 2kdn n LEU 17 Cb 0.26 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 2kdn n LEU 17 CO 0.22 0.01 -0.02 -0.31 -1.33 0.00 0.00 177.39 175.95 2kdn s TYR 18 N -3.02 3.48 -0.12 -1.77 1.51 -0.92 -5.01 117.35 111.51 2kdn s TYR 18 Ca 0.13 0.19 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 2kdn s TYR 18 Cb 0.18 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.24 2kdn s TYR 18 CO 0.58 0.42 0.14 1.97 -1.11 0.00 0.00 175.55 177.55 2kdn n PHE 19 N -0.86 0.00 0.00 2.71 -1.74 -1.26 -5.03 117.46 111.28 2kdn n PHE 19 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 2kdn n PHE 19 Cb 0.55 -0.04 0.00 0.00 1.52 0.00 0.00 39.48 41.51 2kdn n PHE 19 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 2kdn n GLN 20 N -1.33 0.00 0.00 3.97 1.13 -1.26 -3.03 117.38 116.86 2kdn n GLN 20 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2kdn n GLN 20 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.43 2kdn n GLN 20 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kdn n GLY 21 N 0.00 0.14 3.32 1.08 0.00 -1.26 -5.12 105.19 103.35 2kdn n GLY 21 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2kdn n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kdn s HIS 22 N -1.06 -0.53 -0.34 1.61 5.65 -1.17 -5.10 115.29 114.35 2kdn s HIS 22 Ca 0.00 1.23 -0.28 0.00 0.25 0.00 0.00 55.06 56.26 2kdn s HIS 22 Cb 0.00 0.21 -0.03 0.00 -1.18 0.00 0.00 32.58 31.57 2kdn s HIS 22 CO 0.00 -0.27 2.01 -1.64 -0.65 0.00 0.00 174.74 174.19 2kdn s MET 23 N 0.63 3.05 0.90 2.88 1.00 -1.26 -4.95 119.30 121.55 2kdn s MET 23 Ca -0.03 1.53 -0.10 0.00 0.00 0.00 0.00 55.69 57.08 2kdn s MET 23 Cb -0.05 -4.32 0.14 0.00 0.00 0.00 0.00 34.83 30.60 2kdn s MET 23 CO -0.04 -2.20 1.15 0.00 0.00 0.00 0.00 175.02 173.93 2kdn h ILE 25 N -1.78 0.83 -0.31 0.00 6.09 -2.00 -0.16 117.51 120.18 2kdn h ILE 25 Ca -0.43 -0.15 0.02 0.00 -1.37 0.00 0.00 64.86 62.93 2kdn h ILE 25 Cb 1.27 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 2kdn h ILE 25 CO 0.42 0.08 0.16 -0.61 -3.07 0.00 0.00 178.15 175.13 2kdn h GLN 26 N 0.43 0.33 0.00 2.19 -0.00 -2.00 -1.80 115.11 114.25 2kdn h GLN 26 Ca 0.34 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 2kdn h GLN 26 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.15 2kdn h GLN 26 CO -0.11 0.22 0.00 0.87 0.00 0.00 0.00 178.83 179.81 2kdn h LYS 27 N 0.34 0.00 0.07 1.69 1.57 -1.38 0.12 116.57 118.97 2kdn h LYS 27 Ca 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2kdn h LYS 27 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2kdn h LYS 27 CO -0.08 0.00 -0.03 0.28 -0.57 0.00 0.00 179.45 179.05 2kdn h VAL 28 N 0.00 1.15 0.13 0.50 2.07 -0.57 0.14 116.25 119.67 2kdn h VAL 28 Ca 0.00 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2kdn h VAL 28 Cb 0.52 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2kdn h VAL 28 CO 0.00 0.20 -0.06 0.40 0.02 0.00 0.00 177.57 178.13 2kdn h ILE 29 N -0.46 0.91 -0.23 4.57 5.03 -1.15 -2.74 117.51 123.44 2kdn h ILE 29 Ca -0.01 -0.14 0.06 0.00 -0.12 0.00 0.00 64.86 64.65 2kdn h ILE 29 Cb 0.40 1.00 -0.06 0.00 -3.03 0.00 0.00 36.82 35.13 2kdn h ILE 29 CO 0.02 0.03 -0.16 -0.08 -0.68 0.00 0.00 178.15 177.28 2kdn h GLU 30 N -0.24 -0.15 -0.40 2.37 4.81 -0.77 -2.29 114.58 117.91 2kdn h GLU 30 Ca -0.02 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2kdn h GLU 30 Cb 0.19 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2kdn h GLU 30 CO 0.03 -0.10 0.21 0.22 -0.73 0.00 0.00 179.01 178.64 2kdn h ASP 31 N -0.16 0.51 -0.12 1.04 3.58 -0.70 -0.70 116.42 119.87 2kdn h ASP 31 Ca 0.13 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 2kdn h ASP 31 Cb 0.36 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.27 2kdn h ASP 31 CO -0.33 0.47 -0.06 0.11 -2.88 0.00 0.00 179.24 176.55 2kdn h LYS 32 N 0.51 0.25 0.00 0.28 1.57 -1.25 -0.69 116.57 117.24 2kdn h LYS 32 Ca 0.14 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2kdn h LYS 32 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kdn h LYS 32 CO -0.02 0.59 -0.42 1.37 -0.57 0.00 0.00 179.45 180.41 2kdn h LEU 33 N -0.10 0.00 -0.22 2.94 8.10 -1.41 -0.18 115.31 124.44 2kdn h LEU 33 Ca 0.03 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.98 2kdn h LEU 33 Cb 0.52 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.73 2kdn h LEU 33 CO 0.02 0.42 -0.02 -1.28 -4.11 0.00 0.00 178.44 173.47 2kdn h SER 34 N 0.00 0.39 0.70 0.17 0.87 -0.99 -0.96 113.55 113.72 2kdn h SER 34 Ca -0.00 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.13 2kdn h SER 34 Cb 0.86 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2kdn h SER 34 CO 0.05 0.63 -0.44 0.28 -0.53 0.00 0.00 176.83 176.82 2kdn h SER 35 N 0.14 0.00 0.17 6.23 0.02 -0.86 0.16 113.55 119.41 2kdn h SER 35 Ca 0.06 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.77 2kdn h SER 35 Cb 0.44 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.00 2kdn h SER 35 CO 0.01 0.44 -1.06 0.00 -1.14 0.00 0.00 176.83 175.08 2kdn h ALA 36 N 1.56 -0.09 0.00 3.77 0.00 -0.93 -3.40 119.26 120.17 2kdn h ALA 36 Ca -0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 54.91 53.82 2kdn h ALA 36 Cb 0.91 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 2kdn h ALA 36 CO 0.06 0.51 -2.14 1.28 0.00 0.00 0.00 179.25 178.96 2kdn n LEU 37 N -3.99 2.40 -2.87 0.00 4.77 -0.38 -5.08 117.00 111.86 2kdn n LEU 37 Ca -0.16 -0.09 -0.00 0.00 -0.03 0.00 0.00 56.01 55.73 2kdn n LEU 37 Cb 0.91 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2kdn n LEU 37 CO 0.51 0.75 -0.50 0.29 -1.33 0.00 0.00 177.39 177.12 2kdn n LYS 38 N -2.99 -2.53 -2.75 3.23 5.02 0.55 -4.80 118.16 113.89 2kdn n LYS 38 Ca -0.34 2.18 -0.28 0.00 -2.02 0.00 0.00 58.31 57.86 2kdn n LYS 38 Cb 0.91 -3.99 -0.01 0.00 -0.02 0.00 0.00 35.03 31.92 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kdn s PRO 39 N -1.40 3.59 0.19 1.97 0.05 -1.26 -4.70 135.00 133.43 2kdn s PRO 39 Ca -0.01 0.21 0.14 0.00 0.05 0.00 0.00 61.00 61.39 2kdn s PRO 39 Cb 0.00 -2.41 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 2kdn s PRO 39 CO 0.54 -0.13 1.24 1.79 0.05 0.00 0.00 177.00 180.49 2kdn h THR 40 N 0.48 0.92 -3.56 1.26 1.35 -0.45 -3.45 112.91 109.45 2kdn h THR 40 Ca -0.47 -2.38 -0.28 0.00 -0.55 0.00 0.00 66.41 62.73 2kdn h THR 40 Cb 1.20 2.40 -0.33 0.00 -1.73 0.00 0.00 68.15 69.70 2kdn h THR 40 CO 0.62 0.52 -0.72 0.12 -0.25 0.00 0.00 175.52 175.81 2kdn s PHE 41 N -2.90 0.02 -0.06 4.73 5.36 -0.71 -5.04 117.98 119.38 2kdn s PHE 41 Ca 0.02 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.09 2kdn s PHE 41 Cb 0.08 -0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.61 2kdn s PHE 41 CO 0.78 -0.07 0.00 -1.17 -1.46 0.00 0.00 175.22 173.30 2kdn s LEU 42 N 0.83 0.72 -0.18 6.12 2.96 -1.26 -1.19 118.68 126.68 2kdn s LEU 42 Ca -0.07 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2kdn s LEU 42 Cb -0.10 -0.38 0.02 0.00 0.50 0.00 0.00 46.19 46.23 2kdn s LEU 42 CO -0.02 -0.17 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.94 2kdn s GLU 43 N 1.72 2.99 -0.31 1.98 2.12 -0.67 -4.98 118.70 121.55 2kdn s GLU 43 Ca 0.01 -0.83 -0.10 0.00 0.36 0.00 0.00 54.97 54.41 2kdn s GLU 43 Cb -0.13 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.67 2kdn s GLU 43 CO -0.04 -0.21 0.15 -0.51 -0.54 0.00 0.00 175.26 174.11 2kdn s LEU 44 N 1.29 4.11 -0.13 2.70 2.01 -1.26 -0.78 118.68 126.61 2kdn s LEU 44 Ca 0.05 -0.50 0.02 0.00 0.01 0.00 0.00 54.13 53.71 2kdn s LEU 44 Cb -0.13 -2.01 0.01 0.00 0.01 0.00 0.00 46.19 44.07 2kdn s LEU 44 CO -0.13 -0.19 -0.19 -0.69 1.01 0.00 0.00 176.35 176.16 2kdn s VAL 45 N 1.62 1.86 -0.18 -1.59 1.01 -0.73 -4.98 120.40 117.40 2kdn s VAL 45 Ca 0.05 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 2kdn s VAL 45 Cb -0.17 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2kdn s VAL 45 CO 0.06 0.51 0.94 -0.62 0.00 0.00 0.00 175.10 175.99 2kdn s ASP 46 N 0.92 7.06 -0.46 3.32 2.15 -1.26 -0.36 116.67 128.04 2kdn s ASP 46 Ca -0.06 1.31 -0.18 0.00 0.43 0.00 0.00 52.55 54.05 2kdn s ASP 46 Cb -0.15 -2.50 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2kdn s ASP 46 CO -0.03 -0.50 0.49 -0.54 -0.17 0.00 0.00 175.17 174.42 2kdn s LYS 47 N 2.50 3.09 0.00 4.34 1.02 0.17 -4.92 119.74 125.93 2kdn s LYS 47 Ca 0.42 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.51 2kdn s LYS 47 Cb -0.16 -4.04 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 2kdn s LYS 47 CO 0.11 -1.00 0.89 0.43 -0.92 0.00 0.00 175.35 174.87 2kdn n SER 48 N 5.71 2.58 -4.55 2.83 7.64 -1.26 -4.09 113.62 122.48 2kdn n SER 48 Ca -0.08 -1.99 -0.41 0.00 1.01 0.00 0.00 58.87 57.40 2kdn n SER 48 Cb 0.46 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 2kdn n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kdn n GLY 50 N 5.55 0.65 3.46 0.00 0.00 -1.26 -4.99 105.19 108.60 2kdn n GLY 50 Ca 0.08 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.78 2kdn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdn n GLY 52 N 1.47 0.80 2.89 0.00 0.00 -1.26 -4.95 105.19 104.13 2kdn n GLY 52 Ca -0.18 -1.69 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2kdn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kdn s THR 53 N 0.00 0.30 -0.09 2.61 -1.32 -1.26 -4.90 115.64 110.98 2kdn s THR 53 Ca 0.00 -0.07 -0.07 0.00 -1.21 0.00 0.00 61.69 60.35 2kdn s THR 53 Cb 0.00 -0.32 0.03 0.00 -1.51 0.00 0.00 72.50 70.70 2kdn s THR 53 CO 0.00 0.13 0.23 -0.44 -2.21 0.00 0.00 174.62 172.33 2kdn s SER 54 N 0.49 -0.24 -0.12 8.08 0.01 -1.26 -3.65 113.70 117.01 2kdn s SER 54 Ca -0.05 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.68 2kdn s SER 54 Cb -0.08 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 2kdn s SER 54 CO -0.01 -0.11 -0.09 -0.36 0.41 0.00 0.00 173.24 173.08 2kdn s PHE 55 N 0.58 2.90 -0.29 2.43 0.08 -1.24 0.42 117.98 122.87 2kdn s PHE 55 Ca -0.04 -0.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 2kdn s PHE 55 Cb -0.05 -1.84 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2kdn s PHE 55 CO -0.03 -0.01 0.04 0.34 -0.10 0.00 0.00 175.22 175.46 2kdn s ASP 56 N 0.05 4.92 -0.29 1.36 2.15 0.51 -0.55 116.67 124.82 2kdn s ASP 56 Ca -0.02 -0.86 -0.08 0.00 0.43 0.00 0.00 52.55 52.02 2kdn s ASP 56 Cb -0.14 -1.81 -0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2kdn s ASP 56 CO 0.03 -0.20 0.11 0.00 -0.17 0.00 0.00 175.17 174.94 2kdn s ALA 57 N 1.42 3.17 -0.44 3.66 0.00 0.31 -1.78 121.76 128.09 2kdn s ALA 57 Ca 0.01 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.34 2kdn s ALA 57 Cb -0.18 -2.23 0.02 0.00 0.00 0.00 0.00 23.12 20.74 2kdn s ALA 57 CO 0.00 -0.83 0.98 0.08 0.00 0.00 0.00 175.76 175.99 2kdn s VAL 58 N 1.57 4.44 -0.36 0.00 1.01 0.04 -0.41 120.40 126.69 2kdn s VAL 58 Ca 0.04 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.93 2kdn s VAL 58 Cb -0.17 -4.45 0.06 0.00 0.00 0.00 0.00 36.38 31.82 2kdn s VAL 58 CO 0.04 -0.80 0.13 -0.51 0.00 0.00 0.00 175.10 173.96 2kdn s ILE 59 N 3.85 3.70 -0.37 2.22 -1.16 0.15 -1.68 121.20 127.91 2kdn s ILE 59 Ca 0.40 -1.32 -0.08 0.00 -0.51 0.00 0.00 60.65 59.13 2kdn s ILE 59 Cb -0.10 -3.18 0.05 0.00 0.61 0.00 0.00 42.46 39.84 2kdn s ILE 59 CO 0.26 -0.29 0.18 -0.69 -2.81 0.00 0.00 174.94 171.59 2kdn s VAL 60 N 1.36 4.07 0.04 4.00 1.01 -0.33 -0.73 120.40 129.82 2kdn s VAL 60 Ca -0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 2kdn s VAL 60 Cb -0.21 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2kdn s VAL 60 CO 0.01 -0.31 0.35 -0.55 0.00 0.00 0.00 175.10 174.60 2kdn s SER 61 N 1.68 -0.20 0.56 3.32 0.15 -0.95 0.37 113.70 118.63 2kdn s SER 61 Ca 0.01 -0.11 0.36 0.00 0.70 0.00 0.00 55.95 56.92 2kdn s SER 61 Cb -0.21 0.39 1.68 0.00 -1.71 0.00 0.00 66.02 66.18 2kdn s SER 61 CO 0.03 -0.64 2.08 0.78 1.20 0.00 0.00 173.24 176.70 2kdn h ASN 62 N 3.13 0.00 0.45 5.45 -0.26 -1.89 -2.57 115.58 119.89 2kdn h ASN 62 Ca -0.31 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.42 2kdn h ASN 62 Cb 1.20 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2kdn h ASN 62 CO 0.45 0.00 -0.02 -1.13 -1.06 0.00 0.00 177.43 175.67 2kdn h ASN 63 N 0.00 0.00 -0.25 5.81 -1.24 -1.87 -0.47 115.58 117.55 2kdn h ASN 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kdn h ASN 63 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 2kdn h ASN 63 CO 0.00 0.02 0.00 0.33 -1.29 0.00 0.00 177.43 176.49 2kdn n PHE 64 N -3.18 0.33 0.12 0.67 7.35 -0.97 -4.50 117.46 117.29 2kdn n PHE 64 Ca -0.01 -0.35 -0.01 0.00 -0.76 0.00 0.00 57.45 56.31 2kdn n PHE 64 Cb 0.19 -0.02 0.06 0.00 0.35 0.00 0.00 39.48 40.06 2kdn n PHE 64 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2kdn h GLU 65 N 2.13 0.00 0.00 -4.13 4.57 -1.07 -0.77 114.58 115.31 2kdn h GLU 65 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kdn h GLU 65 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2kdn h GLU 65 CO 0.00 0.70 0.00 -0.25 -1.18 0.00 0.00 179.01 178.28 2kdn n ASP 66 N -3.47 0.00 -1.68 1.04 9.92 -1.25 -4.88 116.55 116.23 2kdn n ASP 66 Ca 0.00 0.34 -0.15 0.00 -0.53 0.00 0.00 54.79 54.46 2kdn n ASP 66 Cb 0.74 -0.43 -0.01 0.00 -0.64 0.00 0.00 41.12 40.78 2kdn n ASP 66 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kdn n LYS 67 N -1.43 -1.19 -2.96 -1.24 5.02 -0.30 -4.95 118.16 111.11 2kdn n LYS 67 Ca 0.06 0.74 -0.44 0.00 -2.02 0.00 0.00 58.31 56.65 2kdn n LYS 67 Cb 0.18 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.09 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kdn s LYS 68 N -4.67 3.28 0.15 1.97 -0.14 -1.26 -4.88 119.74 114.20 2kdn s LYS 68 Ca 0.00 -1.34 -0.05 0.00 -1.36 0.00 0.00 55.97 53.21 2kdn s LYS 68 Cb 0.00 -4.48 -0.02 0.00 -1.68 0.00 0.00 37.83 31.65 2kdn s LYS 68 CO 0.00 -1.71 1.39 1.37 -0.76 0.00 0.00 175.35 175.63 2kdn h LEU 69 N 10.54 0.65 -1.05 3.17 8.10 -1.94 -2.86 115.31 131.91 2kdn h LEU 69 Ca -0.12 -0.43 -0.09 0.00 0.11 0.00 0.00 57.88 57.35 2kdn h LEU 69 Cb 1.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.07 2kdn h LEU 69 CO 1.12 1.19 -0.35 0.17 -4.11 0.00 0.00 178.44 176.46 2kdn h LEU 70 N 0.37 0.23 -0.04 0.17 -0.00 -1.99 -1.80 115.31 112.27 2kdn h LEU 70 Ca -0.04 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 2kdn h LEU 70 Cb 1.34 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2kdn h LEU 70 CO 0.14 0.57 -0.00 0.44 -0.00 0.00 0.00 178.44 179.59 2kdn h ASP 71 N 0.20 0.06 0.40 0.17 3.32 -1.94 -1.04 116.42 117.60 2kdn h ASP 71 Ca 0.02 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 2kdn h ASP 71 Cb 0.71 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2kdn h ASP 71 CO 0.05 0.39 -0.21 0.08 -1.72 0.00 0.00 179.24 177.84 2kdn h ARG 72 N -0.26 0.00 0.00 3.56 -0.00 -1.48 -2.26 114.38 113.94 2kdn h ARG 72 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 2kdn h ARG 72 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 2kdn h ARG 72 CO 0.00 0.21 -0.00 1.25 -0.00 0.00 0.00 179.97 181.43 2kdn h HIS 73 N 0.00 -0.00 -0.37 4.08 2.76 -0.96 -0.72 115.15 119.94 2kdn h HIS 73 Ca -0.00 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 2kdn h HIS 73 Cb 0.46 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2kdn h HIS 73 CO 0.00 0.47 -0.16 0.07 -1.30 0.00 0.00 177.93 177.02 2kdn h ARG 74 N -0.48 0.67 0.04 5.26 0.11 -1.06 -0.53 114.38 118.39 2kdn h ARG 74 Ca -0.00 -0.23 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 2kdn h ARG 74 Cb 0.48 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2kdn h ARG 74 CO 0.00 0.80 -0.02 -0.07 0.10 0.00 0.00 179.97 180.78 2kdn h LEU 75 N 0.61 -0.04 -1.32 0.08 -0.00 -1.44 -1.04 115.31 112.16 2kdn h LEU 75 Ca 0.10 -0.37 -0.02 0.00 -0.00 0.00 0.00 57.88 57.59 2kdn h LEU 75 Cb 0.61 0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 2kdn h LEU 75 CO 0.04 0.35 0.22 1.62 -0.00 0.00 0.00 178.44 180.67 2kdn h VAL 76 N -0.44 1.17 -0.15 1.22 3.04 -1.03 -1.16 116.25 118.91 2kdn h VAL 76 Ca -0.01 -0.50 -0.12 0.00 -1.01 0.00 0.00 66.70 65.06 2kdn h VAL 76 Cb 0.41 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 2kdn h VAL 76 CO 0.01 0.20 -0.44 0.78 -1.01 0.00 0.00 177.57 177.11 2kdn h ASN 77 N 0.68 0.37 0.14 3.17 -0.26 -1.04 0.12 115.58 118.77 2kdn h ASN 77 Ca 0.17 -0.17 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2kdn h ASN 77 Cb 0.10 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2kdn h ASN 77 CO -0.02 0.77 -0.09 0.74 -1.06 0.00 0.00 177.43 177.77 2kdn h THR 78 N 0.29 0.81 0.05 2.81 2.02 0.09 -0.90 112.91 118.07 2kdn h THR 78 Ca 0.02 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 2kdn h THR 78 Cb 0.89 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2kdn h THR 78 CO 0.07 0.00 -0.71 0.40 0.37 0.00 0.00 175.52 175.65 2kdn h ILE 79 N -0.23 1.41 0.00 3.11 5.03 -1.48 -3.34 117.51 122.00 2kdn h ILE 79 Ca -0.01 -2.37 0.00 0.00 -0.12 0.00 0.00 64.86 62.36 2kdn h ILE 79 Cb 0.19 2.99 0.00 0.00 -3.03 0.00 0.00 36.82 36.97 2kdn h ILE 79 CO 0.01 0.59 0.00 0.18 -0.68 0.00 0.00 178.15 178.26 2kdn n LEU 80 N -4.33 0.00 0.37 1.44 4.32 0.42 -2.55 117.00 116.68 2kdn n LEU 80 Ca -0.18 0.02 -0.18 0.00 -0.02 0.00 0.00 56.01 55.65 2kdn n LEU 80 Cb 0.68 -0.02 -0.09 0.00 -1.62 0.00 0.00 43.42 42.37 2kdn n LEU 80 CO 0.36 -0.00 0.61 0.50 -1.22 0.00 0.00 177.39 177.63 2kdn h LYS 81 N 0.00 -0.96 -0.10 3.23 1.63 -1.28 0.13 116.57 119.22 2kdn h LYS 81 Ca 0.00 0.07 -0.16 0.00 -0.85 0.00 0.00 60.65 59.71 2kdn h LYS 81 Cb 0.02 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2kdn h LYS 81 CO 0.00 -0.64 -0.62 0.93 -3.45 0.00 0.00 179.45 175.67 2kdn h GLU 82 N -0.99 0.35 -0.18 1.90 5.08 -1.77 -3.24 114.58 115.72 2kdn h GLU 82 Ca -0.09 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2kdn h GLU 82 Cb 0.79 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2kdn h GLU 82 CO 0.10 0.86 -0.11 1.49 -1.00 0.00 0.00 179.01 180.36 2kdn h GLU 83 N 0.26 -0.10 -0.97 2.33 4.57 -1.37 -2.81 114.58 116.49 2kdn h GLU 83 Ca -0.01 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.45 2kdn h GLU 83 Cb 1.15 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 2kdn h GLU 83 CO 0.10 -0.07 0.69 -0.07 -1.18 0.00 0.00 179.01 178.49 2kdn h LEU 84 N -0.10 0.03 -1.98 1.64 3.38 -0.76 -2.30 115.31 115.22 2kdn h LEU 84 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2kdn h LEU 84 Cb 0.26 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kdn h LEU 84 CO -0.24 0.01 0.31 1.56 0.09 0.00 0.00 178.44 180.16 2kdn h GLN 85 N 0.03 0.00 -0.02 1.13 1.08 -1.64 0.38 115.11 116.08 2kdn h GLN 85 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 2kdn h GLN 85 Cb 1.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 2kdn h GLN 85 CO -0.02 0.00 -0.36 0.09 -0.95 0.00 0.00 178.83 177.59 2kdn n ASN 86 N -2.84 2.05 -4.54 1.46 3.02 -0.86 -4.97 115.26 108.59 2kdn n ASN 86 Ca -0.02 -1.53 -0.28 0.00 -0.03 0.00 0.00 54.58 52.72 2kdn n ASN 86 Cb 0.35 0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.82 2kdn n ASN 86 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kdn s ILE 87 N -2.21 3.07 -0.15 2.41 1.01 0.13 -5.06 121.20 120.41 2kdn s ILE 87 Ca 0.18 -1.52 -0.14 0.00 0.00 0.00 0.00 60.65 59.17 2kdn s ILE 87 Cb 0.17 -2.46 -0.12 0.00 0.01 0.00 0.00 42.46 40.06 2kdn s ILE 87 CO 0.48 0.02 0.19 -0.74 0.00 0.00 0.00 174.94 174.89 2kdn h HIS 88 N 3.39 0.00 -2.27 3.97 -0.00 -1.81 -3.46 115.15 114.97 2kdn h HIS 88 Ca -0.48 0.00 -0.46 0.00 -0.00 0.00 0.00 60.37 59.42 2kdn h HIS 88 Cb 1.18 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 28.24 2kdn h HIS 88 CO 0.62 0.60 -0.76 0.00 -0.00 0.00 0.00 177.93 178.39 2kdn s ALA 89 N -2.47 0.20 0.15 5.26 0.00 -1.26 -5.10 121.76 118.54 2kdn s ALA 89 Ca -0.15 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.27 2kdn s ALA 89 Cb 0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 21.24 2kdn s ALA 89 CO 0.36 -2.08 0.69 0.12 0.00 0.00 0.00 175.76 174.85 2kdn s PHE 90 N 1.36 3.80 0.05 0.00 5.36 -1.26 -3.58 117.98 123.70 2kdn s PHE 90 Ca 0.17 1.43 -0.02 0.00 -0.96 0.00 0.00 56.93 57.55 2kdn s PHE 90 Cb -0.19 -2.63 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 2kdn s PHE 90 CO -0.05 0.49 0.00 -1.12 -1.46 0.00 0.00 175.22 173.08 2kdn s SER 91 N -1.29 0.40 0.02 6.13 0.01 0.29 -4.97 113.70 114.29 2kdn s SER 91 Ca 0.36 -0.87 0.01 0.00 1.31 0.00 0.00 55.95 56.75 2kdn s SER 91 Cb -0.20 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2kdn s SER 91 CO 0.22 -0.58 -0.04 0.00 0.41 0.00 0.00 173.24 173.26 2kdn s MET 92 N -3.55 0.31 -0.29 12.44 0.23 -1.26 -0.53 119.30 126.64 2kdn s MET 92 Ca 0.03 -0.49 -0.01 0.00 -1.03 0.00 0.00 55.69 54.20 2kdn s MET 92 Cb 0.05 -0.06 0.05 0.00 -1.53 0.00 0.00 34.83 33.35 2kdn s MET 92 CO -0.09 -0.00 -0.02 0.15 -2.03 0.00 0.00 175.02 173.03 2kdn s LYS 93 N -1.08 2.36 -0.17 3.16 3.01 0.45 -4.90 119.74 122.57 2kdn s LYS 93 Ca -0.10 -1.31 -0.24 0.00 -1.01 0.00 0.00 55.97 53.31 2kdn s LYS 93 Cb -0.07 -3.12 -0.02 0.00 -1.01 0.00 0.00 37.83 33.60 2kdn s LYS 93 CO -0.00 -0.63 0.78 0.00 0.51 0.00 0.00 175.35 176.01 2kdn s HIS 95 N 2.04 0.34 0.13 0.00 3.76 0.09 -4.98 115.29 116.68 2kdn s HIS 95 Ca 0.36 -0.81 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2kdn s HIS 95 Cb -0.16 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.28 2kdn s HIS 95 CO 0.12 -0.49 0.20 0.95 -0.85 0.00 0.00 174.74 174.67 2kdn s THR 96 N -3.90 4.93 0.54 1.30 -4.23 -1.26 -2.25 115.64 110.78 2kdn s THR 96 Ca 0.07 -0.80 0.22 0.00 -1.18 0.00 0.00 61.69 60.00 2kdn s THR 96 Cb 0.06 -3.49 0.33 0.00 1.34 0.00 0.00 72.50 70.73 2kdn s THR 96 CO -0.09 -0.04 2.11 -0.65 -0.54 0.00 0.00 174.62 175.41 2kdn h PRO 97 N 2.50 0.00 -0.45 3.99 0.11 -1.86 -2.05 132.00 134.24 2kdn h PRO 97 Ca -0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 2kdn h PRO 97 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2kdn h PRO 97 CO 0.67 0.00 0.14 1.25 -0.21 0.00 0.00 178.00 179.85 2kdn h LEU 98 N 0.00 0.13 0.12 2.35 7.12 -1.96 0.33 115.31 123.40 2kdn h LEU 98 Ca 0.08 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.14 2kdn h LEU 98 Cb 0.34 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 2kdn h LEU 98 CO -0.00 0.10 -0.06 -0.08 -0.13 0.00 0.00 178.44 178.28 2kdn h GLU 99 N 0.30 -0.16 -0.21 1.25 4.57 -1.79 -3.19 114.58 115.36 2kdn h GLU 99 Ca 0.21 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 2kdn h GLU 99 Cb 0.22 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2kdn h GLU 99 CO -0.23 0.18 0.03 -0.92 -1.18 0.00 0.00 179.01 176.89 2kdn h TYR 100 N -0.51 0.30 -0.64 0.92 3.20 -1.25 -1.42 116.97 117.57 2kdn h TYR 100 Ca -0.02 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.96 2kdn h TYR 100 Cb 0.41 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 2kdn h TYR 100 CO 0.04 0.29 0.43 0.22 -1.64 0.00 0.00 178.16 177.50 2kdn h ASP 101 N 0.30 0.31 0.03 -2.11 3.58 -0.33 0.29 116.42 118.49 2kdn h ASP 101 Ca 0.07 0.01 -0.18 0.00 0.42 0.00 0.00 57.03 57.35 2kdn h ASP 101 Cb 0.16 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.18 2kdn h ASP 101 CO 0.00 0.18 -0.73 0.11 -2.88 0.00 0.00 179.24 175.92 2kdn h LYS 102 N 0.34 0.44 -0.03 0.28 6.56 -1.32 -3.32 116.57 119.53 2kdn h LYS 102 Ca 0.30 -0.51 -0.00 0.00 -1.06 0.00 0.00 60.65 59.38 2kdn h LYS 102 Cb 0.72 0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2kdn h LYS 102 CO -0.08 1.17 0.00 -0.07 -2.06 0.00 0.00 179.45 178.41 2kdn h LEU 103 N -0.06 0.05 -2.30 2.94 3.38 -0.98 -2.96 115.31 115.39 2kdn h LEU 103 Ca -0.10 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2kdn h LEU 103 Cb 1.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2kdn h LEU 103 CO 0.14 0.30 0.15 0.07 0.09 0.00 0.00 178.44 179.19 2kdn h LYS 104 N -0.21 0.00 0.00 1.13 2.10 -0.65 0.55 116.57 119.49 2kdn h LYS 104 Ca 0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2kdn h LYS 104 Cb 0.27 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.60 2kdn h LYS 104 CO 0.00 0.00 -0.01 1.03 -2.00 0.00 0.00 179.45 178.47 2kdn h SER 105 N 0.00 0.00 0.00 7.07 0.87 -1.61 -3.37 113.55 116.51 2kdn h SER 105 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2kdn h SER 105 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kdn h SER 105 CO -0.00 0.01 0.00 2.29 -0.53 0.00 0.00 176.83 178.60 2kdn n LYS 106 N -3.17 0.00 0.00 2.24 0.00 -0.65 -5.05 118.16 111.53 2kdn n LYS 106 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2kdn n LYS 106 Cb 0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.88 2kdn n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kdn n GLY 107 N 0.79 1.08 0.37 2.58 0.00 0.18 -5.14 105.19 105.05 2kdn n GLY 107 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06