#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 1.66 3.56 -5.12 0.00 -1.26 -5.05 105.19 98.98 2kdn n GLY 2 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 2kdn n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kdn s SER 3 N 0.00 5.81 -0.92 1.61 0.15 -1.26 -4.91 113.70 114.18 2kdn s SER 3 Ca 0.00 -1.03 -0.22 0.00 0.70 0.00 0.00 55.95 55.41 2kdn s SER 3 Cb 0.00 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.83 2kdn s SER 3 CO 0.00 -2.13 1.25 -0.44 1.20 0.00 0.00 173.24 173.12 2kdn s SER 4 N 6.50 6.49 0.34 5.45 0.01 -1.26 -4.99 113.70 126.25 2kdn s SER 4 Ca 0.58 -1.56 0.01 0.00 1.31 0.00 0.00 55.95 56.29 2kdn s SER 4 Cb -0.04 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kdn s SER 4 CO -0.05 -1.35 0.22 1.41 0.41 0.00 0.00 173.24 173.89 2kdn n HIS 5 N 7.86 -3.10 0.00 2.43 8.25 -1.26 -5.07 115.22 124.33 2kdn n HIS 5 Ca 0.23 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2kdn n HIS 5 Cb 0.49 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2kdn n HIS 5 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kdn n HIS 6 N -1.57 0.00 0.00 4.41 -0.00 -1.26 -5.02 115.22 111.78 2kdn n HIS 6 Ca 0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2kdn n HIS 6 Cb 0.14 0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2kdn n HIS 6 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kdn n HIS 7 N -2.73 0.00 -1.96 1.57 -0.00 -1.26 -4.87 115.22 105.97 2kdn n HIS 7 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2kdn n HIS 7 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.36 2kdn n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kdn s HIS 8 N 0.00 2.95 0.00 1.57 4.02 -1.26 -4.97 115.29 117.60 2kdn s HIS 8 Ca 0.00 0.99 0.00 0.00 1.02 0.00 0.00 55.06 57.07 2kdn s HIS 8 Cb 0.00 -3.88 0.00 0.00 -1.02 0.00 0.00 32.58 27.68 2kdn s HIS 8 CO 0.00 -2.86 0.00 0.72 1.02 0.00 0.00 174.74 173.62 2kdn n HIS 9 N 2.22 0.00 -3.78 1.40 8.25 -1.26 -5.01 115.22 117.04 2kdn n HIS 9 Ca 0.07 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.40 2kdn n HIS 9 Cb 0.40 -0.02 -0.14 0.00 1.12 0.00 0.00 29.99 31.34 2kdn n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kdn s HIS 10 N -0.06 -0.16 0.00 4.41 2.46 -1.26 -5.16 115.29 115.52 2kdn s HIS 10 Ca 0.00 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.96 2kdn s HIS 10 Cb 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.41 2kdn s HIS 10 CO 0.00 -0.13 0.00 0.43 -2.47 0.00 0.00 174.74 172.57 2kdn n SER 11 N 3.79 0.50 -4.01 9.88 7.64 -1.26 -5.02 113.62 125.14 2kdn n SER 11 Ca -0.22 -0.33 -0.43 0.00 1.01 0.00 0.00 58.87 58.90 2kdn n SER 11 Cb 0.54 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.75 2kdn n SER 11 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2kdn n SER 12 N -0.83 6.13 -0.50 6.43 7.64 -1.26 -4.62 113.62 126.60 2kdn n SER 12 Ca 0.00 -3.33 0.07 0.00 1.01 0.00 0.00 58.87 56.61 2kdn n SER 12 Cb 0.00 -1.32 0.19 0.00 -1.01 0.00 0.00 64.21 62.07 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 1.70 4.80 0.21 0.23 0.00 -1.26 -4.73 105.19 106.14 2kdn n GLY 13 Ca 0.28 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 2kdn n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kdn h ARG 14 N 0.71 0.26 0.00 1.61 0.11 -1.93 -3.26 114.38 111.88 2kdn h ARG 14 Ca 0.03 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2kdn h ARG 14 Cb 1.17 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2kdn h ARG 14 CO 0.10 0.56 -0.06 -0.85 0.10 0.00 0.00 179.97 179.82 2kdn n GLU 15 N -4.09 1.35 0.00 0.08 0.28 -1.26 -4.76 120.64 112.23 2kdn n GLU 15 Ca -0.01 -1.23 0.10 0.00 -0.16 0.00 0.00 57.16 55.85 2kdn n GLU 15 Cb 0.42 -0.83 0.48 0.00 1.43 0.00 0.00 31.44 32.94 2kdn n GLU 15 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kdn n ASN 16 N -0.39 0.00 0.00 -1.84 0.23 -1.23 -3.22 115.26 108.81 2kdn n ASN 16 Ca 0.02 0.10 0.09 0.00 -0.53 0.00 0.00 54.58 54.26 2kdn n ASN 16 Cb 0.44 -0.33 0.54 0.00 -2.08 0.00 0.00 39.78 38.36 2kdn n ASN 16 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2kdn n LEU 17 N -1.33 0.00 -4.75 -4.53 7.99 -1.26 -4.64 117.00 108.49 2kdn n LEU 17 Ca 0.09 0.07 -0.36 0.00 -0.01 0.00 0.00 56.01 55.79 2kdn n LEU 17 Cb 0.17 -0.07 -0.07 0.00 -0.11 0.00 0.00 43.42 43.34 2kdn n LEU 17 CO 0.16 -0.03 -0.06 -0.31 -1.51 0.00 0.00 177.39 175.64 2kdn s TYR 18 N -2.13 3.48 -0.04 -1.77 1.51 -1.20 -4.98 117.35 112.22 2kdn s TYR 18 Ca 0.26 0.55 0.11 0.00 -1.01 0.00 0.00 57.07 56.99 2kdn s TYR 18 Cb 0.13 -2.26 -0.23 0.00 -0.11 0.00 0.00 41.96 39.49 2kdn s TYR 18 CO 0.23 0.33 0.66 1.19 -1.11 0.00 0.00 175.55 176.85 2kdn n PHE 19 N 3.29 1.03 -1.39 2.71 3.72 -1.26 -4.96 117.46 120.60 2kdn n PHE 19 Ca -0.14 0.36 -0.13 0.00 -0.05 0.00 0.00 57.45 57.49 2kdn n PHE 19 Cb 0.52 -1.19 -0.06 0.00 -0.94 0.00 0.00 39.48 37.82 2kdn n PHE 19 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2kdn n GLN 20 N -3.07 -1.00 -0.63 -1.08 1.13 -1.26 -1.81 117.38 109.65 2kdn n GLN 20 Ca -0.17 0.97 0.00 0.00 -1.94 0.00 0.00 57.00 55.85 2kdn n GLN 20 Cb 1.05 -5.06 0.00 0.00 0.11 0.00 0.00 30.24 26.34 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 -1.21 1.33 3.46 1.08 0.00 -1.26 -4.99 105.19 103.60 2kdn n GLY 21 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2kdn n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kdn s HIS 22 N -3.48 3.14 -1.52 1.61 3.76 -0.75 -4.97 115.29 113.08 2kdn s HIS 22 Ca 0.00 -0.51 -0.12 0.00 -0.15 0.00 0.00 55.06 54.28 2kdn s HIS 22 Cb 0.00 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 2kdn s HIS 22 CO 0.00 -0.82 2.54 0.00 -0.85 0.00 0.00 174.74 175.61 2kdn n MET 23 N 5.72 3.19 -1.61 1.40 0.00 -1.26 -4.91 117.12 119.65 2kdn n MET 23 Ca -0.08 -2.41 -0.33 0.00 0.00 0.00 0.00 57.70 54.88 2kdn n MET 23 Cb 0.46 -3.07 0.06 0.00 0.00 0.00 0.00 33.22 30.67 2kdn n MET 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kdn h ILE 25 N -0.26 0.92 -0.34 0.00 6.09 -2.00 -0.23 117.51 121.69 2kdn h ILE 25 Ca -0.46 -0.21 0.07 0.00 -1.37 0.00 0.00 64.86 62.88 2kdn h ILE 25 Cb 1.25 0.25 -0.06 0.00 0.47 0.00 0.00 36.82 38.72 2kdn h ILE 25 CO 0.53 0.11 -0.08 -0.61 -3.07 0.00 0.00 178.15 175.03 2kdn h GLN 26 N 0.62 0.00 0.00 2.19 4.15 -1.98 -2.29 115.11 117.80 2kdn h GLN 26 Ca 0.34 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.72 2kdn h GLN 26 Cb 0.50 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 2kdn h GLN 26 CO -0.12 0.00 -0.22 0.87 -1.93 0.00 0.00 178.83 177.43 2kdn h LYS 27 N 0.00 0.00 0.14 1.69 1.79 -1.41 0.12 116.57 118.91 2kdn h LYS 27 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2kdn h LYS 27 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2kdn h LYS 27 CO -0.35 0.22 -0.07 0.28 -1.08 0.00 0.00 179.45 178.45 2kdn h VAL 28 N 0.00 1.00 -0.14 0.50 2.07 -0.88 0.12 116.25 118.93 2kdn h VAL 28 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kdn h VAL 28 Cb 0.74 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2kdn h VAL 28 CO 0.03 0.17 0.09 0.40 0.02 0.00 0.00 177.57 178.28 2kdn h ILE 29 N -0.55 1.05 -0.20 4.57 5.03 -1.24 -2.78 117.51 123.38 2kdn h ILE 29 Ca -0.02 -0.12 0.04 0.00 -0.12 0.00 0.00 64.86 64.64 2kdn h ILE 29 Cb 0.43 0.88 -0.04 0.00 -3.03 0.00 0.00 36.82 35.06 2kdn h ILE 29 CO 0.03 0.05 -0.02 -0.08 -0.68 0.00 0.00 178.15 177.45 2kdn h GLU 30 N 0.18 0.03 -0.12 2.37 4.81 -0.76 -2.41 114.58 118.67 2kdn h GLU 30 Ca 0.05 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2kdn h GLU 30 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2kdn h GLU 30 CO -0.01 0.02 -0.08 0.22 -0.73 0.00 0.00 179.01 178.43 2kdn h ASP 31 N 0.03 -0.26 -0.25 1.04 3.58 -0.67 0.89 116.42 120.78 2kdn h ASP 31 Ca 0.10 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2kdn h ASP 31 Cb 0.14 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 2kdn h ASP 31 CO -0.19 -0.11 0.10 0.11 -2.88 0.00 0.00 179.24 176.27 2kdn h LYS 32 N -0.08 0.38 0.00 0.28 1.57 -1.28 0.87 116.57 118.31 2kdn h LYS 32 Ca 0.08 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2kdn h LYS 32 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kdn h LYS 32 CO -0.17 0.42 -0.50 1.37 -0.57 0.00 0.00 179.45 179.99 2kdn h LEU 33 N 0.26 0.00 -0.63 2.94 8.10 -1.34 -2.11 115.31 122.54 2kdn h LEU 33 Ca 0.08 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.94 2kdn h LEU 33 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2kdn h LEU 33 CO -0.01 0.50 -0.37 -1.28 -4.11 0.00 0.00 178.44 173.18 2kdn h SER 34 N 0.00 0.71 0.70 0.17 0.87 -0.44 -1.92 113.55 113.64 2kdn h SER 34 Ca -0.01 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.15 2kdn h SER 34 Cb 0.96 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2kdn h SER 34 CO 0.07 1.00 -0.46 0.28 -0.53 0.00 0.00 176.83 177.19 2kdn h SER 35 N 0.56 0.00 0.00 6.23 0.02 -0.52 0.81 113.55 120.65 2kdn h SER 35 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2kdn h SER 35 Cb 0.89 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 2kdn h SER 35 CO 0.08 0.46 -0.01 0.00 -1.14 0.00 0.00 176.83 176.22 2kdn h ALA 36 N 1.54 0.00 0.00 3.77 0.00 -1.14 -3.37 119.26 120.05 2kdn h ALA 36 Ca -0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 2kdn h ALA 36 Cb 0.94 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2kdn h ALA 36 CO 0.06 0.01 -1.30 -0.07 0.00 0.00 0.00 179.25 177.95 2kdn h LEU 37 N -1.00 0.00 -2.31 0.00 4.07 -1.47 -3.50 115.31 111.10 2kdn h LEU 37 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kdn h LEU 37 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 2kdn h LEU 37 CO -0.00 0.57 -0.42 1.17 -1.08 0.00 0.00 178.44 178.68 2kdn n LYS 38 N -2.93 -2.19 -3.30 1.13 4.81 0.28 -4.59 118.16 111.37 2kdn n LYS 38 Ca -0.08 2.01 -0.26 0.00 -0.87 0.00 0.00 58.31 59.11 2kdn n LYS 38 Cb 0.83 -5.67 -0.02 0.00 0.02 0.00 0.00 35.03 30.19 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kdn s PRO 39 N -2.68 3.54 0.01 1.64 0.04 -1.25 -4.67 135.00 131.63 2kdn s PRO 39 Ca 0.21 -0.16 0.14 0.00 0.04 0.00 0.00 61.00 61.23 2kdn s PRO 39 Cb -0.06 -2.63 -0.18 0.00 0.04 0.00 0.00 34.50 31.67 2kdn s PRO 39 CO 0.77 0.14 0.77 1.79 0.04 0.00 0.00 177.00 180.51 2kdn h THR 40 N 0.93 0.72 -3.80 1.26 1.35 -0.75 -3.47 112.91 109.16 2kdn h THR 40 Ca -0.49 -2.40 -0.27 0.00 -0.55 0.00 0.00 66.41 62.70 2kdn h THR 40 Cb 1.21 2.26 -0.28 0.00 -1.73 0.00 0.00 68.15 69.60 2kdn h THR 40 CO 0.63 0.41 -0.73 0.12 -0.25 0.00 0.00 175.52 175.70 2kdn s PHE 41 N -2.75 0.20 -0.11 4.73 5.36 -1.06 -5.04 117.98 119.31 2kdn s PHE 41 Ca -0.04 -0.04 -0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2kdn s PHE 41 Cb 0.08 -0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.68 2kdn s PHE 41 CO 0.82 -0.01 0.13 -1.17 -1.46 0.00 0.00 175.22 173.53 2kdn s LEU 42 N -0.03 0.05 -0.15 6.12 1.98 -1.26 -1.26 118.68 124.15 2kdn s LEU 42 Ca 0.01 -0.01 -0.00 0.00 -2.89 0.00 0.00 54.13 51.24 2kdn s LEU 42 Cb -0.01 0.09 -0.01 0.00 0.66 0.00 0.00 46.19 46.92 2kdn s LEU 42 CO -0.00 -0.28 -0.13 -0.70 -1.89 0.00 0.00 176.35 173.35 2kdn s GLU 43 N 2.24 3.34 -0.33 1.98 2.12 -0.86 -4.83 118.70 122.35 2kdn s GLU 43 Ca 0.04 -0.70 -0.14 0.00 0.36 0.00 0.00 54.97 54.54 2kdn s GLU 43 Cb -0.13 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 2kdn s GLU 43 CO -0.07 0.12 0.28 -0.51 -0.54 0.00 0.00 175.26 174.54 2kdn s LEU 44 N 0.58 4.45 0.01 2.70 2.01 -1.26 -0.76 118.68 126.41 2kdn s LEU 44 Ca -0.08 -0.31 -0.00 0.00 0.01 0.00 0.00 54.13 53.75 2kdn s LEU 44 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 46.19 43.79 2kdn s LEU 44 CO 0.03 -0.26 0.11 -0.69 1.01 0.00 0.00 176.35 176.55 2kdn s VAL 45 N 1.83 4.87 0.10 -1.59 1.01 0.51 -4.82 120.40 122.31 2kdn s VAL 45 Ca 0.08 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 2kdn s VAL 45 Cb -0.17 -3.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 2kdn s VAL 45 CO 0.11 0.31 1.36 -0.62 0.00 0.00 0.00 175.10 176.27 2kdn s ASP 46 N -1.87 6.86 0.24 3.32 -1.08 -1.26 -0.73 116.67 122.14 2kdn s ASP 46 Ca 0.25 2.28 0.06 0.00 -0.52 0.00 0.00 52.55 54.62 2kdn s ASP 46 Cb -0.12 -2.58 0.26 0.00 -1.46 0.00 0.00 42.92 39.01 2kdn s ASP 46 CO 0.16 -0.63 1.56 0.50 0.52 0.00 0.00 175.17 177.28 2kdn h LYS 47 N 6.83 0.16 -0.37 4.34 3.11 -1.86 -3.44 116.57 125.34 2kdn h LYS 47 Ca -0.42 -0.12 0.18 0.00 -2.81 0.00 0.00 60.65 57.48 2kdn h LYS 47 Cb 1.21 0.02 -0.19 0.00 -1.00 0.00 0.00 32.23 32.27 2kdn h LYS 47 CO 0.86 0.74 -0.08 0.45 -2.81 0.00 0.00 179.45 178.60 2kdn s SER 48 N -6.88 -0.60 -0.28 4.20 0.15 -1.26 -5.04 113.70 103.99 2kdn s SER 48 Ca -0.03 0.03 -0.33 0.00 0.70 0.00 0.00 55.95 56.32 2kdn s SER 48 Cb 0.12 1.31 -0.09 0.00 -1.71 0.00 0.00 66.02 65.65 2kdn s SER 48 CO 0.79 -0.10 2.17 0.00 1.20 0.00 0.00 173.24 177.30 2kdn n GLY 50 N 6.10 1.77 2.78 0.00 0.00 -1.26 -5.08 105.19 109.50 2kdn n GLY 50 Ca 0.36 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 4.86 3.97 0.00 0.00 0.00 -1.26 -3.81 105.19 108.95 2kdn n GLY 52 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2kdn n GLY 52 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kdn n THR 53 N 2.33 0.00 -4.01 2.61 5.66 -1.26 -5.04 114.28 114.57 2kdn n THR 53 Ca 0.57 -0.34 -0.15 0.00 -3.05 0.00 0.00 64.05 61.08 2kdn n THR 53 Cb 0.55 1.28 -0.15 0.00 -1.55 0.00 0.00 70.33 70.46 2kdn n THR 53 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kdn s SER 54 N -0.09 0.35 0.11 1.09 1.04 -1.25 -0.02 113.70 114.93 2kdn s SER 54 Ca 0.00 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.45 2kdn s SER 54 Cb 0.00 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 2kdn s SER 54 CO 0.00 0.01 -0.16 -0.36 0.98 0.00 0.00 173.24 173.71 2kdn s PHE 55 N 0.11 1.48 -0.10 5.02 0.08 -1.16 -3.48 117.98 119.94 2kdn s PHE 55 Ca -0.01 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.56 2kdn s PHE 55 Cb -0.03 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2kdn s PHE 55 CO -0.00 0.16 -0.13 0.34 -0.10 0.00 0.00 175.22 175.48 2kdn s ASP 56 N -2.17 4.09 -0.14 1.36 -1.08 0.09 -1.91 116.67 116.92 2kdn s ASP 56 Ca 0.06 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2kdn s ASP 56 Cb -0.07 -1.32 0.02 0.00 -1.46 0.00 0.00 42.92 40.09 2kdn s ASP 56 CO 0.03 0.24 -0.13 0.00 0.52 0.00 0.00 175.17 175.83 2kdn s ALA 57 N -0.11 1.76 -0.42 3.66 0.00 0.46 -0.36 121.76 126.74 2kdn s ALA 57 Ca -0.01 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2kdn s ALA 57 Cb -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.01 2kdn s ALA 57 CO 0.03 -0.33 0.60 0.08 0.00 0.00 0.00 175.76 176.15 2kdn s VAL 58 N 1.43 4.88 -0.25 0.00 1.01 0.06 -1.22 120.40 126.32 2kdn s VAL 58 Ca 0.03 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2kdn s VAL 58 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2kdn s VAL 58 CO -0.09 -0.51 0.08 -0.51 0.00 0.00 0.00 175.10 174.07 2kdn s ILE 59 N 2.68 4.44 -0.32 2.22 -1.16 -0.66 -2.03 121.20 126.37 2kdn s ILE 59 Ca 0.21 -0.13 -0.01 0.00 -0.51 0.00 0.00 60.65 60.21 2kdn s ILE 59 Cb -0.15 -3.08 0.07 0.00 0.61 0.00 0.00 42.46 39.92 2kdn s ILE 59 CO 0.17 0.34 0.03 -0.69 -2.81 0.00 0.00 174.94 171.98 2kdn s VAL 60 N 1.57 2.84 0.02 4.00 1.01 -0.38 -0.37 120.40 129.09 2kdn s VAL 60 Ca 0.06 -1.66 -0.19 0.00 0.00 0.00 0.00 61.98 60.19 2kdn s VAL 60 Cb -0.15 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.51 2kdn s VAL 60 CO 0.04 -0.26 0.43 -0.94 0.00 0.00 0.00 175.10 174.37 2kdn s SER 61 N 1.30 -0.32 0.55 3.32 1.04 -0.79 0.08 113.70 118.89 2kdn s SER 61 Ca -0.01 0.12 0.35 0.00 0.48 0.00 0.00 55.95 56.89 2kdn s SER 61 Cb -0.20 0.42 1.61 0.00 0.10 0.00 0.00 66.02 67.95 2kdn s SER 61 CO -0.03 -0.61 2.05 0.78 0.98 0.00 0.00 173.24 176.41 2kdn h ASN 62 N 3.19 0.00 -0.41 7.02 2.35 -1.87 -3.17 115.58 122.69 2kdn h ASN 62 Ca -0.30 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.56 2kdn h ASN 62 Cb 1.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.54 2kdn h ASN 62 CO 0.42 0.00 0.46 -1.13 -1.65 0.00 0.00 177.43 175.53 2kdn h ASN 63 N 0.00 0.00 -0.03 5.81 -1.24 -1.86 -0.23 115.58 118.04 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 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2kdn h ASN 63 CO 0.00 0.00 -0.13 0.33 -1.29 0.00 0.00 177.43 176.34 2kdn n PHE 64 N -3.65 0.00 0.43 0.67 7.35 -1.20 -4.25 117.46 116.81 2kdn n PHE 64 Ca 0.07 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.89 2kdn n PHE 64 Cb 0.64 0.00 0.48 0.00 0.35 0.00 0.00 39.48 40.95 2kdn n PHE 64 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 2kdn h GLU 65 N 4.00 0.00 -0.00 -4.13 -0.00 -1.23 -2.66 114.58 110.56 2kdn h GLU 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kdn h GLU 65 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.67 2kdn h GLU 65 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 175.54 2kdn n ASP 66 N -2.39 0.03 -1.87 3.06 2.03 -1.26 -4.84 116.55 111.31 2kdn n ASP 66 Ca 0.03 -1.53 -0.18 0.00 0.52 0.00 0.00 54.79 53.63 2kdn n ASP 66 Cb 0.30 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 2kdn n ASP 66 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kdn n LYS 67 N -0.72 -1.40 -2.70 -0.67 4.76 -1.00 -4.91 118.16 111.52 2kdn n LYS 67 Ca 0.11 0.97 -0.42 0.00 -2.87 0.00 0.00 58.31 56.11 2kdn n LYS 67 Cb 0.06 -5.41 -0.03 0.00 -1.84 0.00 0.00 35.03 27.80 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kdn s LYS 68 N -4.47 3.24 0.03 1.97 -0.14 -1.26 -4.82 119.74 114.29 2kdn s LYS 68 Ca 0.00 -0.70 -0.19 0.00 -1.36 0.00 0.00 55.97 53.73 2kdn s LYS 68 Cb 0.00 -4.41 -0.19 0.00 -1.68 0.00 0.00 37.83 31.55 2kdn s LYS 68 CO 0.00 -2.00 1.20 1.25 -0.76 0.00 0.00 175.35 175.04 2kdn h LEU 69 N 12.17 0.56 -1.00 3.17 7.12 -1.95 -2.79 115.31 132.59 2kdn h LEU 69 Ca -0.19 -0.66 -0.10 0.00 0.13 0.00 0.00 57.88 57.07 2kdn h LEU 69 Cb 1.05 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.00 2kdn h LEU 69 CO 1.25 1.13 -0.32 0.17 -0.13 0.00 0.00 178.44 180.54 2kdn h LEU 70 N 0.03 0.33 0.02 2.25 -0.00 -1.98 0.22 115.31 116.19 2kdn h LEU 70 Ca -0.04 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.72 2kdn h LEU 70 Cb 1.13 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 2kdn h LEU 70 CO 0.10 0.64 -0.01 -0.78 -0.00 0.00 0.00 178.44 178.39 2kdn h ASP 71 N 0.28 -0.02 -0.69 0.17 3.58 -1.96 0.16 116.42 117.94 2kdn h ASP 71 Ca 0.04 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.21 2kdn h ASP 71 Cb 0.70 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.71 2kdn h ASP 71 CO 0.05 0.32 0.40 -0.09 -2.88 0.00 0.00 179.24 177.05 2kdn h ARG 72 N -0.37 0.74 0.09 0.28 1.12 -1.31 0.22 114.38 115.15 2kdn h ARG 72 Ca -0.00 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.82 2kdn h ARG 72 Cb 0.35 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.15 2kdn h ARG 72 CO 0.00 0.49 -0.04 1.25 -3.11 0.00 0.00 179.97 178.56 2kdn h HIS 73 N 0.76 -0.11 -0.10 2.20 2.76 -0.38 -1.53 115.15 118.74 2kdn h HIS 73 Ca 0.30 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.28 2kdn h HIS 73 Cb 0.13 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 2kdn h HIS 73 CO -0.06 -0.00 -0.70 0.07 -1.30 0.00 0.00 177.93 175.93 2kdn h ARG 74 N -0.19 0.48 0.01 5.26 0.11 -0.42 -1.95 114.38 117.67 2kdn h ARG 74 Ca -0.01 -0.37 -0.00 0.00 0.10 0.00 0.00 59.98 59.69 2kdn h ARG 74 Cb 0.16 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2kdn h ARG 74 CO 0.02 1.00 -0.00 -0.07 0.10 0.00 0.00 179.97 181.02 2kdn h LEU 75 N 0.33 -0.01 -0.30 0.08 4.07 -0.95 -1.72 115.31 116.81 2kdn h LEU 75 Ca -0.03 -0.21 0.02 0.00 0.08 0.00 0.00 57.88 57.74 2kdn h LEU 75 Cb 1.28 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 2kdn h LEU 75 CO 0.13 0.21 0.15 0.58 -1.08 0.00 0.00 178.44 178.43 2kdn h VAL 76 N -0.23 1.00 -0.70 1.22 2.07 -1.26 -2.60 116.25 115.75 2kdn h VAL 76 Ca -0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2kdn h VAL 76 Cb 0.22 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2kdn h VAL 76 CO 0.00 0.06 0.31 0.78 0.02 0.00 0.00 177.57 178.74 2kdn h ASN 77 N 0.32 0.93 0.75 0.57 2.35 -1.32 0.14 115.58 119.31 2kdn h ASN 77 Ca 0.12 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2kdn h ASN 77 Cb 0.03 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.17 2kdn h ASN 77 CO -0.08 0.81 -0.36 0.74 -1.65 0.00 0.00 177.43 176.89 2kdn h THR 78 N 1.01 0.23 0.09 2.81 2.02 -0.94 -1.30 112.91 116.83 2kdn h THR 78 Ca 0.24 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.18 2kdn h THR 78 Cb 0.14 0.25 0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2kdn h THR 78 CO -0.03 0.01 -0.72 0.40 0.37 0.00 0.00 175.52 175.56 2kdn h ILE 79 N -1.07 1.49 0.00 3.11 5.03 -1.48 -3.30 117.51 121.28 2kdn h ILE 79 Ca -0.10 -2.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.18 2kdn h ILE 79 Cb 0.78 3.13 0.00 0.00 -3.03 0.00 0.00 36.82 37.71 2kdn h ILE 79 CO 0.17 0.67 0.00 0.18 -0.68 0.00 0.00 178.15 178.49 2kdn n LEU 80 N -4.23 0.00 0.03 1.44 4.32 0.49 -2.42 117.00 116.63 2kdn n LEU 80 Ca -0.15 0.27 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 2kdn n LEU 80 Cb 0.74 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 2kdn n LEU 80 CO 0.42 -0.07 0.51 0.50 -1.22 0.00 0.00 177.39 177.53 2kdn h LYS 81 N 0.00 -0.41 -0.00 3.23 1.63 -1.31 0.13 116.57 119.84 2kdn h LYS 81 Ca 0.00 0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.67 2kdn h LYS 81 Cb 0.19 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2kdn h LYS 81 CO 0.00 -0.27 -0.76 1.49 -3.45 0.00 0.00 179.45 176.45 2kdn h GLU 82 N -0.42 0.01 0.32 1.90 4.57 -1.76 -3.31 114.58 115.89 2kdn h GLU 82 Ca 0.01 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2kdn h GLU 82 Cb 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 2kdn h GLU 82 CO -0.24 0.77 -0.30 1.49 -1.18 0.00 0.00 179.01 179.55 2kdn h GLU 83 N 0.01 -0.62 -0.97 1.92 4.57 -1.26 -2.67 114.58 115.55 2kdn h GLU 83 Ca -0.01 0.04 0.27 0.00 -1.18 0.00 0.00 59.36 58.49 2kdn h GLU 83 Cb 1.35 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 30.04 2kdn h GLU 83 CO 0.10 -0.41 0.69 -0.07 -1.18 0.00 0.00 179.01 178.13 2kdn h LEU 84 N -0.64 0.06 -1.92 1.64 3.38 -0.83 -1.41 115.31 115.58 2kdn h LEU 84 Ca -0.02 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.17 2kdn h LEU 84 Cb 0.58 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2kdn h LEU 84 CO -0.05 0.02 0.53 1.56 0.09 0.00 0.00 178.44 180.59 2kdn h GLN 85 N 0.05 0.06 -0.34 1.13 1.08 -1.61 0.25 115.11 115.73 2kdn h GLN 85 Ca 0.47 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 2kdn h GLN 85 Cb 1.78 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.19 2kdn h GLN 85 CO -0.04 0.04 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 2kdn n ASN 86 N -4.35 2.93 -4.22 1.46 3.02 -0.53 -4.87 115.26 108.71 2kdn n ASN 86 Ca 0.15 -1.92 -0.29 0.00 -0.03 0.00 0.00 54.58 52.49 2kdn n ASN 86 Cb 0.77 -0.22 -0.16 0.00 -0.61 0.00 0.00 39.78 39.56 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 -1.56 1.75 0.12 2.41 1.01 0.87 -4.98 121.20 120.83 2kdn s ILE 87 Ca 0.37 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2kdn s ILE 87 Cb 0.21 -1.48 -0.14 0.00 0.01 0.00 0.00 42.46 41.06 2kdn s ILE 87 CO 0.30 0.49 1.34 -0.74 0.00 0.00 0.00 174.94 176.33 2kdn h HIS 88 N 5.99 0.95 -0.88 3.97 -0.00 -0.68 -3.44 115.15 121.06 2kdn h HIS 88 Ca -0.34 -0.42 0.07 0.00 -0.00 0.00 0.00 60.37 59.68 2kdn h HIS 88 Cb 1.16 -0.15 -0.21 0.00 -0.00 0.00 0.00 27.41 28.22 2kdn h HIS 88 CO 0.42 1.23 -0.30 0.00 -0.00 0.00 0.00 177.93 179.28 2kdn s ALA 89 N -3.73 -2.62 -0.02 5.26 0.00 -1.26 -5.01 121.76 114.39 2kdn s ALA 89 Ca -0.09 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 2kdn s ALA 89 Cb 0.09 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 2kdn s ALA 89 CO 0.89 -1.77 0.36 0.12 0.00 0.00 0.00 175.76 175.36 2kdn s PHE 90 N 2.86 3.70 -0.01 0.00 5.36 -1.26 -2.99 117.98 125.64 2kdn s PHE 90 Ca 0.14 0.90 0.04 0.00 -0.96 0.00 0.00 56.93 57.05 2kdn s PHE 90 Cb -0.10 -2.22 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 2kdn s PHE 90 CO -0.24 0.66 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.91 2kdn s SER 91 N -1.10 1.71 -0.04 6.13 0.01 -0.80 -5.00 113.70 114.60 2kdn s SER 91 Ca 0.22 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.24 2kdn s SER 91 Cb -0.16 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2kdn s SER 91 CO 0.12 0.17 -0.12 0.00 0.41 0.00 0.00 173.24 173.83 2kdn s MET 92 N -0.37 1.40 -0.18 12.44 0.23 -1.26 -0.41 119.30 131.15 2kdn s MET 92 Ca 0.05 -0.40 0.01 0.00 -1.03 0.00 0.00 55.69 54.32 2kdn s MET 92 Cb -0.06 -1.22 0.04 0.00 -1.53 0.00 0.00 34.83 32.06 2kdn s MET 92 CO -0.00 0.10 -0.12 0.21 -2.03 0.00 0.00 175.02 173.18 2kdn s LYS 93 N 0.37 2.12 -0.02 3.16 2.47 -0.36 -4.98 119.74 122.50 2kdn s LYS 93 Ca -0.08 -0.75 -0.20 0.00 -1.56 0.00 0.00 55.97 53.38 2kdn s LYS 93 Cb -0.12 -2.32 -0.05 0.00 -1.46 0.00 0.00 37.83 33.88 2kdn s LYS 93 CO 0.02 -0.37 0.58 0.00 0.16 0.00 0.00 175.35 175.74 2kdn s HIS 95 N -0.09 0.66 0.19 0.00 3.76 0.50 -4.96 115.29 115.35 2kdn s HIS 95 Ca 0.31 -0.66 -0.06 0.00 -0.15 0.00 0.00 55.06 54.49 2kdn s HIS 95 Cb -0.18 -0.40 -0.06 0.00 1.11 0.00 0.00 32.58 33.05 2kdn s HIS 95 CO 0.16 -0.14 0.46 0.95 -0.85 0.00 0.00 174.74 175.32 2kdn s THR 96 N -2.20 5.07 0.48 1.30 -4.23 -1.26 -1.88 115.64 112.92 2kdn s THR 96 Ca -0.04 0.17 0.17 0.00 -1.18 0.00 0.00 61.69 60.82 2kdn s THR 96 Cb -0.04 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.49 2kdn s THR 96 CO -0.02 -0.05 2.03 -0.65 -0.54 0.00 0.00 174.62 175.39 2kdn h PRO 97 N 2.56 0.21 0.05 3.99 0.11 -1.86 0.16 132.00 137.23 2kdn h PRO 97 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kdn h PRO 97 Cb 1.17 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kdn h PRO 97 CO 0.70 0.14 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.54 2kdn h LEU 98 N 0.22 -0.06 -1.40 2.35 -0.00 -1.95 -1.00 115.31 113.46 2kdn h LEU 98 Ca 0.19 -0.35 -0.06 0.00 -0.00 0.00 0.00 57.88 57.67 2kdn h LEU 98 Cb 0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2kdn h LEU 98 CO -0.03 0.32 -0.28 -0.33 -0.00 0.00 0.00 178.44 178.12 2kdn h GLU 99 N -0.45 0.00 -0.04 1.13 3.07 -1.67 -0.71 114.58 115.91 2kdn h GLU 99 Ca -0.01 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2kdn h GLU 99 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2kdn h GLU 99 CO 0.01 0.28 -0.72 -0.92 -1.40 0.00 0.00 179.01 176.26 2kdn h TYR 100 N 0.00 0.29 -0.75 4.33 3.20 -0.71 -3.17 116.97 120.17 2kdn h TYR 100 Ca -0.00 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.75 2kdn h TYR 100 Cb 0.60 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 2kdn h TYR 100 CO 0.00 0.86 0.49 0.22 -1.64 0.00 0.00 178.16 178.09 2kdn h ASP 101 N 0.14 0.83 -0.50 -2.11 1.82 0.26 -0.52 116.42 116.35 2kdn h ASP 101 Ca -0.02 -0.01 0.09 0.00 -0.39 0.00 0.00 57.03 56.69 2kdn h ASP 101 Cb 1.28 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 41.06 2kdn h ASP 101 CO 0.11 0.59 0.34 0.11 -1.61 0.00 0.00 179.24 178.78 2kdn h LYS 102 N 0.98 0.29 0.20 0.28 6.56 -1.38 0.20 116.57 123.69 2kdn h LYS 102 Ca 0.28 -0.02 -0.32 0.00 -1.06 0.00 0.00 60.65 59.54 2kdn h LYS 102 Cb -0.07 -0.06 0.04 0.00 -0.57 0.00 0.00 32.23 31.56 2kdn h LYS 102 CO -0.08 0.19 -1.37 -0.07 -2.06 0.00 0.00 179.45 176.07 2kdn h LEU 103 N 0.30 0.86 0.00 2.94 3.38 -1.14 -3.26 115.31 118.38 2kdn h LEU 103 Ca 0.23 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 57.06 2kdn h LEU 103 Cb 0.51 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2kdn h LEU 103 CO -0.05 1.67 -1.68 2.29 0.09 0.00 0.00 178.44 180.76 2kdn n LYS 104 N -3.77 0.63 0.01 1.13 -0.00 -0.61 -4.24 118.16 111.32 2kdn n LYS 104 Ca -0.16 0.25 -0.14 0.00 -0.00 0.00 0.00 58.31 58.27 2kdn n LYS 104 Cb 1.05 -1.78 -0.02 0.00 -0.00 0.00 0.00 35.03 34.28 2kdn n LYS 104 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2kdn h SER 105 N 0.00 0.72 -1.51 -5.58 0.02 -0.78 -3.48 113.55 102.94 2kdn h SER 105 Ca -0.27 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.20 2kdn h SER 105 Cb 1.90 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 2kdn h SER 105 CO 0.07 1.24 0.04 2.29 -1.14 0.00 0.00 176.83 179.33 2kdn n LYS 106 N -3.89 0.22 0.00 3.45 -0.00 -1.23 -5.05 118.16 111.67 2kdn n LYS 106 Ca -0.06 -0.47 0.00 0.00 -0.00 0.00 0.00 58.31 57.78 2kdn n LYS 106 Cb 0.73 0.57 0.00 0.00 -0.00 0.00 0.00 35.03 36.33 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 -0.11 -0.08 0.00 2.58 0.00 -1.26 -4.40 105.19 101.91 2kdn n GLY 107 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06