#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 0.96 3.46 3.03 0.00 -1.26 -4.98 105.19 106.40 2kdn n GLY 2 Ca 0.00 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.00 6.62 0.19 1.61 0.15 -1.26 -5.00 113.70 112.01 2kdn s SER 3 Ca 0.00 -1.99 -0.30 0.00 0.70 0.00 0.00 55.95 54.36 2kdn s SER 3 Cb 0.00 -2.42 -0.09 0.00 -1.71 0.00 0.00 66.02 61.80 2kdn s SER 3 CO 0.00 -1.11 1.30 -0.44 1.20 0.00 0.00 173.24 174.19 2kdn s SER 4 N 3.79 6.91 -0.13 5.45 0.01 -1.26 -4.97 113.70 123.50 2kdn s SER 4 Ca 0.35 2.37 -0.29 0.00 1.31 0.00 0.00 55.95 59.69 2kdn s SER 4 Cb -0.04 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 2kdn s SER 4 CO -0.09 -0.52 1.11 -1.00 0.41 0.00 0.00 173.24 173.15 2kdn s HIS 5 N 0.17 3.26 -0.81 2.43 4.02 -1.26 -4.95 115.29 118.16 2kdn s HIS 5 Ca 0.57 1.35 -0.25 0.00 1.02 0.00 0.00 55.06 57.75 2kdn s HIS 5 Cb -0.36 -3.33 -0.02 0.00 -1.02 0.00 0.00 32.58 27.85 2kdn s HIS 5 CO 0.37 -0.85 1.81 -1.01 1.02 0.00 0.00 174.74 176.08 2kdn s HIS 6 N 2.62 1.88 -0.98 1.40 4.02 -1.26 -4.91 115.29 118.07 2kdn s HIS 6 Ca 0.51 0.45 -0.24 0.00 1.02 0.00 0.00 55.06 56.80 2kdn s HIS 6 Cb -0.20 -4.18 0.04 0.00 -1.02 0.00 0.00 32.58 27.22 2kdn s HIS 6 CO 0.16 -1.98 1.46 -3.38 1.02 0.00 0.00 174.74 172.02 2kdn s HIS 7 N 8.82 2.45 -0.88 1.40 0.00 -1.26 -4.93 115.29 120.90 2kdn s HIS 7 Ca 0.64 -0.65 -0.25 0.00 -3.00 0.00 0.00 55.06 51.80 2kdn s HIS 7 Cb -0.08 -4.65 0.01 0.00 -4.00 0.00 0.00 32.58 23.86 2kdn s HIS 7 CO 0.06 -1.95 1.63 -1.58 -1.00 0.00 0.00 174.74 171.90 2kdn s HIS 8 N 5.38 2.15 0.40 0.38 5.65 -1.26 -4.97 115.29 123.02 2kdn s HIS 8 Ca 0.46 -0.04 -0.27 0.00 0.25 0.00 0.00 55.06 55.46 2kdn s HIS 8 Cb -0.01 -4.41 -0.10 0.00 -1.18 0.00 0.00 32.58 26.88 2kdn s HIS 8 CO -0.06 -1.95 1.43 -2.39 -0.65 0.00 0.00 174.74 171.11 2kdn n HIS 9 N 11.04 2.75 -4.49 3.88 -0.00 -1.26 -5.03 115.22 122.11 2kdn n HIS 9 Ca 0.28 0.46 -0.22 0.00 -0.00 0.00 0.00 57.72 58.24 2kdn n HIS 9 Cb 0.50 -2.48 -0.14 0.00 -0.00 0.00 0.00 29.99 27.87 2kdn n HIS 9 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kdn s HIS 10 N -1.15 1.45 0.31 -1.40 0.00 -1.26 -5.13 115.29 108.10 2kdn s HIS 10 Ca 0.57 -0.35 -0.29 0.00 -3.00 0.00 0.00 55.06 51.99 2kdn s HIS 10 Cb -0.48 -0.87 -0.10 0.00 -4.00 0.00 0.00 32.58 27.14 2kdn s HIS 10 CO 0.61 0.05 1.22 -1.12 -1.00 0.00 0.00 174.74 174.50 2kdn s SER 11 N -1.07 6.98 -1.08 7.38 0.01 -1.26 -4.91 113.70 119.75 2kdn s SER 11 Ca 0.04 2.51 -0.23 0.00 1.31 0.00 0.00 55.95 59.58 2kdn s SER 11 Cb -0.08 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2kdn s SER 11 CO 0.01 -0.37 1.81 -0.44 0.41 0.00 0.00 173.24 174.66 2kdn s SER 12 N -0.62 5.68 -0.36 2.44 0.01 -1.26 -4.47 113.70 115.11 2kdn s SER 12 Ca 0.47 -1.43 0.04 0.00 1.31 0.00 0.00 55.95 56.34 2kdn s SER 12 Cb -0.36 -2.57 0.32 0.00 0.21 0.00 0.00 66.02 63.61 2kdn s SER 12 CO 0.48 -2.32 1.30 0.61 0.41 0.00 0.00 173.24 173.71 2kdn n GLY 13 N 6.30 -0.98 0.07 3.44 0.00 -1.26 -5.01 105.19 107.75 2kdn n GLY 13 Ca 0.42 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 47.01 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 0.63 1.30 -0.02 1.61 5.12 -1.26 -4.45 116.66 119.59 2kdn n ARG 14 Ca -0.02 0.04 0.13 0.00 -1.93 0.00 0.00 57.85 56.07 2kdn n ARG 14 Cb 0.73 -1.30 0.44 0.00 -1.16 0.00 0.00 32.46 31.18 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2kdn n GLU 15 N -2.67 1.77 0.00 5.56 0.00 -1.26 -4.06 120.64 119.99 2kdn n GLU 15 Ca -0.23 -1.12 0.10 0.00 0.00 0.00 0.00 57.16 55.90 2kdn n GLU 15 Cb 0.84 -1.46 0.55 0.00 0.00 0.00 0.00 31.44 31.37 2kdn n GLU 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2kdn n ASN 16 N 0.36 0.00 0.16 -1.84 2.04 -1.26 -1.41 115.26 113.31 2kdn n ASN 16 Ca 0.18 -0.44 0.12 0.00 -0.44 0.00 0.00 54.58 54.00 2kdn n ASN 16 Cb 0.38 -0.08 0.25 0.00 -2.53 0.00 0.00 39.78 37.80 2kdn n ASN 16 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 2kdn h LEU 17 N 0.00 0.00 -8.02 -4.53 4.07 -1.90 -3.41 115.31 101.52 2kdn h LEU 17 Ca 0.00 -0.01 -0.68 0.00 0.08 0.00 0.00 57.88 57.27 2kdn h LEU 17 Cb 0.05 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 41.61 2kdn h LEU 17 CO 0.00 0.00 0.75 -0.31 -1.08 0.00 0.00 178.44 177.80 2kdn s TYR 18 N -3.18 3.07 -1.37 1.13 2.02 -0.50 -4.72 117.35 113.80 2kdn s TYR 18 Ca 0.08 -1.27 0.15 0.00 -0.37 0.00 0.00 57.07 55.66 2kdn s TYR 18 Cb 0.08 -4.26 0.43 0.00 -0.40 0.00 0.00 41.96 37.81 2kdn s TYR 18 CO 0.65 -1.49 1.35 1.97 -1.57 0.00 0.00 175.55 176.46 2kdn n PHE 19 N 6.64 0.64 0.86 2.71 -1.74 -1.26 -4.40 117.46 120.89 2kdn n PHE 19 Ca 0.18 -0.48 0.10 0.00 -0.56 0.00 0.00 57.45 56.70 2kdn n PHE 19 Cb 0.48 -0.02 0.49 0.00 1.52 0.00 0.00 39.48 41.96 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 0.96 0.14 -1.99 3.97 3.00 -1.26 -4.69 117.38 117.52 2kdn n GLN 20 Ca 0.16 0.11 -0.39 0.00 -0.01 0.00 0.00 57.00 56.88 2kdn n GLN 20 Cb 0.50 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.21 2kdn n GLN 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2kdn s GLY 21 N -2.80 0.25 0.74 1.08 0.00 -1.26 -4.97 107.32 100.36 2kdn s GLY 21 Ca 0.15 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.38 2kdn s GLY 21 CO 0.35 3.46 1.07 0.30 0.00 0.00 0.00 173.10 178.28 2kdn s HIS 22 N 8.97 2.80 -0.69 1.90 3.76 -1.26 -4.95 115.29 125.83 2kdn s HIS 22 Ca 0.73 0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 55.85 2kdn s HIS 22 Cb -0.15 -3.31 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 2kdn s HIS 22 CO 0.24 -1.57 2.05 1.41 -0.85 0.00 0.00 174.74 176.01 2kdn s MET 23 N -5.35 2.39 0.22 1.40 1.75 -1.26 -4.95 119.30 113.51 2kdn s MET 23 Ca 0.61 0.51 -0.22 0.00 -1.25 0.00 0.00 55.69 55.34 2kdn s MET 23 Cb -0.10 -4.64 -0.08 0.00 2.84 0.00 0.00 34.83 32.84 2kdn s MET 23 CO 0.46 -3.19 0.77 0.00 -0.65 0.00 0.00 175.02 172.41 2kdn h ILE 25 N 2.88 1.09 -0.58 0.00 6.09 -1.99 -1.28 117.51 123.71 2kdn h ILE 25 Ca -0.48 -0.29 -0.04 0.00 -1.37 0.00 0.00 64.86 62.68 2kdn h ILE 25 Cb 1.20 0.88 -0.03 0.00 0.47 0.00 0.00 36.82 39.34 2kdn h ILE 25 CO 0.65 0.11 0.19 -0.61 -3.07 0.00 0.00 178.15 175.42 2kdn h GLN 26 N 0.26 0.87 -0.10 2.19 5.75 -1.99 -0.64 115.11 121.46 2kdn h GLN 26 Ca 0.07 -0.15 -0.15 0.00 -0.15 0.00 0.00 58.65 58.26 2kdn h GLN 26 Cb 0.08 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2kdn h GLN 26 CO -0.01 0.74 -0.58 -0.22 -2.65 0.00 0.00 178.83 176.12 2kdn h LYS 27 N 0.85 0.33 0.09 1.69 1.63 -1.65 -0.87 116.57 118.64 2kdn h LYS 27 Ca 0.19 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2kdn h LYS 27 Cb 0.23 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2kdn h LYS 27 CO -0.01 0.82 -0.04 0.28 -3.45 0.00 0.00 179.45 177.05 2kdn h VAL 28 N 0.25 0.96 -0.06 2.00 2.07 -0.68 0.06 116.25 120.86 2kdn h VAL 28 Ca -0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2kdn h VAL 28 Cb 1.09 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2kdn h VAL 28 CO 0.10 0.04 -0.03 0.40 0.02 0.00 0.00 177.57 178.10 2kdn h ILE 29 N -0.19 0.90 -0.19 4.57 5.03 -1.10 -2.12 117.51 124.41 2kdn h ILE 29 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.78 2kdn h ILE 29 Cb 0.15 0.90 -0.06 0.00 -3.03 0.00 0.00 36.82 34.79 2kdn h ILE 29 CO 0.02 0.00 -0.17 -0.08 -0.68 0.00 0.00 178.15 177.24 2kdn h GLU 30 N -0.03 -0.18 -0.35 2.37 4.81 -0.97 -2.46 114.58 117.77 2kdn h GLU 30 Ca 0.04 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 2kdn h GLU 30 Cb 0.08 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2kdn h GLU 30 CO -0.08 -0.12 -0.22 0.22 -0.73 0.00 0.00 179.01 178.08 2kdn h ASP 31 N -0.19 0.80 -0.25 1.04 3.58 -0.89 -1.04 116.42 119.48 2kdn h ASP 31 Ca 0.12 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 57.09 2kdn h ASP 31 Cb 0.36 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2kdn h ASP 31 CO -0.30 1.05 -0.03 0.11 -2.88 0.00 0.00 179.24 177.19 2kdn h LYS 32 N 0.55 0.45 0.00 0.28 1.57 -1.24 0.13 116.57 118.32 2kdn h LYS 32 Ca 0.07 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2kdn h LYS 32 Cb 0.77 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 2kdn h LYS 32 CO 0.06 0.66 -0.51 1.37 -0.57 0.00 0.00 179.45 180.46 2kdn h LEU 33 N 0.21 0.00 -0.51 2.94 8.10 -1.49 -2.27 115.31 122.29 2kdn h LEU 33 Ca 0.07 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.98 2kdn h LEU 33 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.67 2kdn h LEU 33 CO 0.02 0.51 0.02 -1.28 -4.11 0.00 0.00 178.44 173.60 2kdn h SER 34 N 0.00 0.88 0.43 0.17 0.87 -0.84 -0.89 113.55 114.16 2kdn h SER 34 Ca -0.01 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 2kdn h SER 34 Cb 1.01 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2kdn h SER 34 CO 0.07 0.96 -0.27 0.28 -0.53 0.00 0.00 176.83 177.34 2kdn h SER 35 N 0.77 0.00 0.06 6.23 0.02 -0.53 0.25 113.55 120.35 2kdn h SER 35 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2kdn h SER 35 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2kdn h SER 35 CO 0.02 0.27 -0.03 0.00 -1.14 0.00 0.00 176.83 175.95 2kdn h ALA 36 N 1.73 -0.08 0.00 3.77 0.00 -1.01 -3.37 119.26 120.31 2kdn h ALA 36 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 2kdn h ALA 36 Cb 0.55 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kdn h ALA 36 CO 0.03 -0.11 -1.18 -0.07 0.00 0.00 0.00 179.25 177.92 2kdn h LEU 37 N -0.93 0.00 -2.55 0.00 3.38 -1.18 -3.49 115.31 110.53 2kdn h LEU 37 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2kdn h LEU 37 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kdn h LEU 37 CO 0.01 0.64 -0.41 1.17 0.09 0.00 0.00 178.44 179.94 2kdn n LYS 38 N -3.03 -1.85 -3.59 1.13 4.81 0.88 -4.55 118.16 111.97 2kdn n LYS 38 Ca -0.07 1.70 -0.35 0.00 -0.87 0.00 0.00 58.31 58.72 2kdn n LYS 38 Cb 0.84 -5.12 -0.05 0.00 0.02 0.00 0.00 35.03 30.71 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 -2.95 3.76 0.31 1.64 0.04 -1.26 -4.52 135.00 132.02 2kdn s PRO 39 Ca 0.14 0.17 0.17 0.00 0.04 0.00 0.00 61.00 61.52 2kdn s PRO 39 Cb -0.03 -3.03 0.12 0.00 0.04 0.00 0.00 34.50 31.60 2kdn s PRO 39 CO 0.78 0.58 1.45 1.79 0.04 0.00 0.00 177.00 181.65 2kdn h THR 40 N 2.98 0.63 -3.41 1.26 1.35 -0.71 -3.43 112.91 111.57 2kdn h THR 40 Ca -0.49 -1.90 -0.35 0.00 -0.55 0.00 0.00 66.41 63.12 2kdn h THR 40 Cb 1.20 2.29 -0.36 0.00 -1.73 0.00 0.00 68.15 69.55 2kdn h THR 40 CO 0.66 0.36 -0.74 0.12 -0.25 0.00 0.00 175.52 175.67 2kdn s PHE 41 N -3.03 0.14 -0.08 4.73 5.36 -1.03 -5.02 117.98 119.05 2kdn s PHE 41 Ca 0.04 0.14 -0.03 0.00 -0.96 0.00 0.00 56.93 56.12 2kdn s PHE 41 Cb 0.07 -0.41 0.05 0.00 -0.34 0.00 0.00 43.02 42.39 2kdn s PHE 41 CO 0.73 -0.16 0.13 -1.17 -1.46 0.00 0.00 175.22 173.29 2kdn s LEU 42 N 1.57 0.02 -0.05 6.12 1.98 -1.26 -0.51 118.68 126.55 2kdn s LEU 42 Ca -0.02 0.16 0.02 0.00 -2.89 0.00 0.00 54.13 51.39 2kdn s LEU 42 Cb -0.13 0.12 0.01 0.00 0.66 0.00 0.00 46.19 46.86 2kdn s LEU 42 CO -0.03 -0.26 -0.09 -0.70 -1.89 0.00 0.00 176.35 173.38 2kdn s GLU 43 N 2.25 1.19 -0.34 1.98 2.12 -1.02 -5.01 118.70 119.88 2kdn s GLU 43 Ca 0.04 -0.29 -0.21 0.00 0.36 0.00 0.00 54.97 54.87 2kdn s GLU 43 Cb -0.12 -1.07 0.00 0.00 0.26 0.00 0.00 34.13 33.20 2kdn s GLU 43 CO -0.05 0.03 0.68 -0.51 -0.54 0.00 0.00 175.26 174.86 2kdn s LEU 44 N 0.57 4.18 -0.15 2.70 2.01 -1.26 -1.51 118.68 125.23 2kdn s LEU 44 Ca -0.10 0.32 -0.04 0.00 0.01 0.00 0.00 54.13 54.32 2kdn s LEU 44 Cb -0.13 -2.87 -0.03 0.00 0.01 0.00 0.00 46.19 43.16 2kdn s LEU 44 CO 0.02 -0.59 -0.00 -0.69 1.01 0.00 0.00 176.35 176.09 2kdn s VAL 45 N 2.79 4.22 -0.52 -1.59 1.01 0.51 -4.96 120.40 121.86 2kdn s VAL 45 Ca 0.27 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 2kdn s VAL 45 Cb -0.14 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 2kdn s VAL 45 CO 0.14 0.51 2.16 -0.62 0.00 0.00 0.00 175.10 177.29 2kdn s ASP 46 N 0.08 4.87 -0.01 3.32 -1.08 -1.26 -1.50 116.67 121.09 2kdn s ASP 46 Ca 0.02 0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 52.87 2kdn s ASP 46 Cb -0.13 -2.51 -0.00 0.00 -1.46 0.00 0.00 42.92 38.81 2kdn s ASP 46 CO 0.02 -2.59 -0.02 0.50 0.52 0.00 0.00 175.17 173.60 2kdn h LYS 47 N 17.29 0.00 -6.30 4.34 1.63 -1.87 -3.45 116.57 128.21 2kdn h LYS 47 Ca -0.26 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 58.96 2kdn h LYS 47 Cb 1.22 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.76 2kdn h LYS 47 CO 1.17 0.00 0.71 0.45 -3.45 0.00 0.00 179.45 178.32 2kdn s SER 48 N -3.71 6.64 0.14 4.20 0.15 -0.90 -4.98 113.70 115.23 2kdn s SER 48 Ca -0.01 0.45 -0.31 0.00 0.70 0.00 0.00 55.95 56.77 2kdn s SER 48 Cb 0.00 -2.49 -0.09 0.00 -1.71 0.00 0.00 66.02 61.73 2kdn s SER 48 CO 0.02 -1.03 1.55 0.00 1.20 0.00 0.00 173.24 174.99 2kdn n GLY 50 N 3.75 -0.25 0.07 0.00 0.00 -1.26 -4.88 105.19 102.61 2kdn n GLY 50 Ca 0.14 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 1.35 0.29 0.23 0.00 0.00 -1.26 -5.05 105.19 100.75 2kdn n GLY 52 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2kdn n GLY 52 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kdn h THR 53 N 0.00 1.28 -3.46 2.61 2.02 -1.90 -3.44 112.91 110.02 2kdn h THR 53 Ca 0.00 -1.33 -0.32 0.00 0.77 0.00 0.00 66.41 65.53 2kdn h THR 53 Cb 0.00 1.34 -0.35 0.00 -1.74 0.00 0.00 68.15 67.40 2kdn h THR 53 CO 0.00 0.44 -0.73 -0.44 0.37 0.00 0.00 175.52 175.16 2kdn s SER 54 N -6.52 0.36 -0.12 4.18 0.01 -1.26 -2.88 113.70 107.47 2kdn s SER 54 Ca -0.12 0.05 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2kdn s SER 54 Cb 0.10 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2kdn s SER 54 CO 0.83 -0.16 -0.09 -0.36 0.41 0.00 0.00 173.24 173.87 2kdn s PHE 55 N 1.38 2.91 -0.15 2.43 0.08 -0.91 -2.13 117.98 121.59 2kdn s PHE 55 Ca -0.05 -0.36 -0.00 0.00 0.12 0.00 0.00 56.93 56.64 2kdn s PHE 55 Cb -0.13 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.47 2kdn s PHE 55 CO -0.03 -0.02 -0.14 0.34 -0.10 0.00 0.00 175.22 175.27 2kdn s ASP 56 N 0.07 3.78 -0.30 1.36 2.15 -0.56 -0.33 116.67 122.85 2kdn s ASP 56 Ca -0.03 -0.43 -0.08 0.00 0.43 0.00 0.00 52.55 52.44 2kdn s ASP 56 Cb -0.14 -1.59 -0.00 0.00 -0.30 0.00 0.00 42.92 40.89 2kdn s ASP 56 CO 0.04 0.09 0.11 0.00 -0.17 0.00 0.00 175.17 175.24 2kdn s ALA 57 N 0.77 3.18 -0.41 3.66 0.00 0.07 -0.36 121.76 128.66 2kdn s ALA 57 Ca -0.06 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.24 2kdn s ALA 57 Cb -0.15 -2.25 0.02 0.00 0.00 0.00 0.00 23.12 20.74 2kdn s ALA 57 CO 0.01 -0.85 1.22 0.08 0.00 0.00 0.00 175.76 176.22 2kdn s VAL 58 N 1.57 4.17 -0.14 0.00 1.01 -0.57 -0.42 120.40 126.01 2kdn s VAL 58 Ca 0.04 1.24 -0.05 0.00 0.00 0.00 0.00 61.98 63.21 2kdn s VAL 58 Cb -0.17 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2kdn s VAL 58 CO 0.04 -0.78 0.04 0.27 0.00 0.00 0.00 175.10 174.67 2kdn s ILE 59 N 4.56 4.57 -0.31 2.22 -5.25 -0.25 -2.44 121.20 124.30 2kdn s ILE 59 Ca 0.52 -0.13 0.02 0.00 -0.99 0.00 0.00 60.65 60.08 2kdn s ILE 59 Cb -0.11 -3.01 0.09 0.00 2.95 0.00 0.00 42.46 42.39 2kdn s ILE 59 CO 0.28 0.52 0.05 -0.69 -1.79 0.00 0.00 174.94 173.32 2kdn s VAL 60 N -0.14 1.69 0.05 8.37 1.01 0.33 -1.31 120.40 130.39 2kdn s VAL 60 Ca 0.06 -1.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.02 2kdn s VAL 60 Cb -0.12 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2kdn s VAL 60 CO 0.02 -0.55 0.36 -0.55 0.00 0.00 0.00 175.10 174.38 2kdn s SER 61 N 1.22 -0.21 0.52 3.32 0.15 -0.80 0.12 113.70 118.02 2kdn s SER 61 Ca 0.08 -0.10 0.34 0.00 0.70 0.00 0.00 55.95 56.97 2kdn s SER 61 Cb -0.18 0.40 1.54 0.00 -1.71 0.00 0.00 66.02 66.06 2kdn s SER 61 CO -0.14 -0.65 2.02 0.78 1.20 0.00 0.00 173.24 176.45 2kdn h ASN 62 N 3.08 0.00 0.03 5.45 -0.26 -1.87 -3.13 115.58 118.89 2kdn h ASN 62 Ca -0.32 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 0.00 -3.20 -1.06 0.00 0.00 177.43 173.62 2kdn n ASN 63 N -2.92 0.00 -0.14 5.81 5.15 -1.26 -0.97 115.26 120.93 2kdn n ASN 63 Ca -0.00 -0.04 0.05 0.00 -0.60 0.00 0.00 54.58 53.99 2kdn n ASN 63 Cb 0.23 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.35 2kdn n ASN 63 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2kdn n PHE 64 N -1.10 0.00 0.34 1.20 7.35 -1.18 -4.61 117.46 119.47 2kdn n PHE 64 Ca 0.04 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.86 2kdn n PHE 64 Cb 0.03 0.00 0.42 0.00 0.35 0.00 0.00 39.48 40.28 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 0.69 0.00 0.00 -4.13 -0.00 -1.27 -1.35 114.58 108.52 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 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.08 2kdn h GLU 65 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 179.01 178.57 2kdn h ASP 66 N 0.00 0.00 -0.51 3.06 3.32 -1.82 -3.46 116.42 117.01 2kdn h ASP 66 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2kdn h ASP 66 Cb 0.71 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 2kdn h ASP 66 CO 0.00 0.00 -0.10 2.29 -1.72 0.00 0.00 179.24 179.71 2kdn n LYS 67 N -2.36 -1.74 -2.63 3.56 2.85 -0.51 -4.91 118.16 112.42 2kdn n LYS 67 Ca 0.04 0.53 -0.42 0.00 -1.05 0.00 0.00 58.31 57.41 2kdn n LYS 67 Cb 0.35 -4.55 -0.03 0.00 -0.65 0.00 0.00 35.03 30.16 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2kdn s LYS 68 N -2.07 4.40 -0.02 -1.58 1.02 -1.26 -4.95 119.74 115.28 2kdn s LYS 68 Ca 0.00 1.46 -0.22 0.00 0.02 0.00 0.00 55.97 57.24 2kdn s LYS 68 Cb 0.00 -3.55 -0.14 0.00 -0.52 0.00 0.00 37.83 33.62 2kdn s LYS 68 CO 0.00 -0.35 0.96 1.25 -0.92 0.00 0.00 175.35 176.29 2kdn h LEU 69 N 8.07 -0.40 -1.41 3.17 5.85 -2.00 -3.19 115.31 125.40 2kdn h LEU 69 Ca -0.32 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 2kdn h LEU 69 Cb 1.15 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2kdn h LEU 69 CO 0.86 0.04 -0.20 0.17 -0.34 0.00 0.00 178.44 178.97 2kdn h LEU 70 N -0.96 0.13 -0.06 2.25 -0.00 -1.98 -0.61 115.31 114.08 2kdn h LEU 70 Ca -0.05 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2kdn h LEU 70 Cb 0.52 -0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2kdn h LEU 70 CO 0.08 0.34 -0.37 -0.78 -0.00 0.00 0.00 178.44 177.71 2kdn h ASP 71 N 0.12 0.43 0.48 0.17 3.58 -1.99 -1.52 116.42 117.69 2kdn h ASP 71 Ca 0.02 -0.67 -0.14 0.00 0.42 0.00 0.00 57.03 56.66 2kdn h ASP 71 Cb 0.44 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2kdn h ASP 71 CO 0.03 1.03 -0.63 0.08 -2.88 0.00 0.00 179.24 176.87 2kdn h ARG 72 N -0.13 0.15 0.09 0.28 0.11 -1.52 -2.68 114.38 110.68 2kdn h ARG 72 Ca -0.03 -0.11 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 2kdn h ARG 72 Cb 1.03 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2kdn h ARG 72 CO 0.08 0.73 -0.04 1.25 0.10 0.00 0.00 179.97 182.09 2kdn h HIS 73 N 0.11 -0.11 -0.73 4.08 2.76 -1.02 0.96 115.15 121.20 2kdn h HIS 73 Ca -0.01 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 2kdn h HIS 73 Cb 1.14 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.11 2kdn h HIS 73 CO 0.01 -0.04 0.24 0.07 -1.30 0.00 0.00 177.93 176.91 2kdn h ARG 74 N -0.16 1.12 0.02 5.26 0.11 -1.26 -0.48 114.38 119.00 2kdn h ARG 74 Ca -0.01 -0.24 -0.00 0.00 0.10 0.00 0.00 59.98 59.83 2kdn h ARG 74 Cb 0.12 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2kdn h ARG 74 CO 0.02 0.95 -0.01 -0.07 0.10 0.00 0.00 179.97 180.97 2kdn h LEU 75 N 1.07 -0.02 -0.59 0.08 3.38 -1.30 -0.83 115.31 117.10 2kdn h LEU 75 Ca 0.24 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 58.03 2kdn h LEU 75 Cb 0.29 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2kdn h LEU 75 CO -0.01 0.24 0.27 0.58 0.09 0.00 0.00 178.44 179.61 2kdn h VAL 76 N -0.28 0.88 0.00 1.22 2.07 -0.68 -0.76 116.25 118.70 2kdn h VAL 76 Ca -0.00 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2kdn h VAL 76 Cb 0.27 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2kdn h VAL 76 CO 0.00 0.09 -0.26 0.78 0.02 0.00 0.00 177.57 178.21 2kdn h ASN 77 N 0.50 0.00 0.34 0.57 -0.26 -0.95 0.16 115.58 115.94 2kdn h ASN 77 Ca 0.28 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 2kdn h ASN 77 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 2kdn h ASN 77 CO -0.23 0.26 -0.17 0.74 -1.06 0.00 0.00 177.43 176.97 2kdn h THR 78 N 0.00 0.67 0.18 2.81 2.02 0.36 -0.45 112.91 118.51 2kdn h THR 78 Ca -0.00 -0.29 -0.28 0.00 0.77 0.00 0.00 66.41 66.61 2kdn h THR 78 Cb 0.55 0.83 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2kdn h THR 78 CO 0.03 0.06 -1.30 0.40 0.37 0.00 0.00 175.52 175.09 2kdn h ILE 79 N -0.62 1.25 0.00 3.11 5.03 -1.42 -3.30 117.51 121.56 2kdn h ILE 79 Ca -0.05 -2.55 0.00 0.00 -0.12 0.00 0.00 64.86 62.14 2kdn h ILE 79 Cb 0.45 2.98 0.00 0.00 -3.03 0.00 0.00 36.82 37.22 2kdn h ILE 79 CO 0.08 0.76 0.00 0.18 -0.68 0.00 0.00 178.15 178.49 2kdn n LEU 80 N -3.88 0.00 0.09 1.44 4.32 0.54 -2.49 117.00 117.02 2kdn n LEU 80 Ca -0.19 0.05 -0.11 0.00 -0.02 0.00 0.00 56.01 55.74 2kdn n LEU 80 Cb 0.97 -0.05 -0.07 0.00 -1.62 0.00 0.00 43.42 42.65 2kdn n LEU 80 CO 0.51 -0.01 0.51 0.50 -1.22 0.00 0.00 177.39 177.68 2kdn h LYS 81 N 0.00 -0.51 -0.04 3.23 1.63 -1.15 0.48 116.57 120.22 2kdn h LYS 81 Ca 0.00 0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.64 2kdn h LYS 81 Cb 0.04 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2kdn h LYS 81 CO 0.00 -0.34 -0.82 1.49 -3.45 0.00 0.00 179.45 176.33 2kdn h GLU 82 N -0.52 0.37 -0.03 1.90 4.22 -1.79 -3.34 114.58 115.39 2kdn h GLU 82 Ca -0.01 -0.35 0.04 0.00 0.08 0.00 0.00 59.36 59.12 2kdn h GLU 82 Cb 0.52 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2kdn h GLU 82 CO -0.17 1.01 -0.33 1.49 -2.18 0.00 0.00 179.01 178.83 2kdn h GLU 83 N 0.23 -0.45 -0.95 1.92 4.57 -1.38 -1.58 114.58 116.95 2kdn h GLU 83 Ca -0.05 0.03 0.27 0.00 -1.18 0.00 0.00 59.36 58.43 2kdn h GLU 83 Cb 1.42 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 30.07 2kdn h GLU 83 CO 0.14 -0.30 0.68 -0.07 -1.18 0.00 0.00 179.01 178.28 2kdn h LEU 84 N -0.46 0.07 -2.34 1.64 3.38 -1.01 -1.13 115.31 115.45 2kdn h LEU 84 Ca 0.07 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2kdn h LEU 84 Cb 0.56 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2kdn h LEU 84 CO -0.29 0.02 0.19 1.56 0.09 0.00 0.00 178.44 180.01 2kdn h GLN 85 N 0.06 0.00 -0.02 1.13 1.08 -1.42 0.13 115.11 116.07 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 1.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.17 2kdn h GLN 85 CO -0.04 0.00 -0.10 0.09 -0.95 0.00 0.00 178.83 177.83 2kdn n ASN 86 N -3.44 2.28 -4.16 1.46 3.02 -0.43 -4.91 115.26 109.09 2kdn n ASN 86 Ca -0.00 -1.70 -0.23 0.00 -0.03 0.00 0.00 54.58 52.62 2kdn n ASN 86 Cb 0.29 0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.12 1.29 -0.02 2.41 1.01 0.46 -5.05 121.20 119.18 2kdn s ILE 87 Ca 0.29 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.87 2kdn s ILE 87 Cb 0.20 -1.11 -0.14 0.00 0.01 0.00 0.00 42.46 41.42 2kdn s ILE 87 CO 0.37 0.24 0.94 -0.74 0.00 0.00 0.00 174.94 175.75 2kdn h HIS 88 N 5.38 -0.43 -2.61 3.97 -0.00 -1.81 -3.44 115.15 116.21 2kdn h HIS 88 Ca -0.37 -0.01 -0.42 0.00 -0.00 0.00 0.00 60.37 59.57 2kdn h HIS 88 Cb 1.16 0.14 -0.37 0.00 -0.00 0.00 0.00 27.41 28.34 2kdn h HIS 88 CO 0.45 -0.11 -0.70 0.00 -0.00 0.00 0.00 177.93 177.57 2kdn s ALA 89 N -4.25 0.10 -0.07 5.26 0.00 -1.14 -5.06 121.76 116.58 2kdn s ALA 89 Ca -0.12 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 2kdn s ALA 89 Cb 0.01 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 2kdn s ALA 89 CO 0.42 -1.48 0.46 0.12 0.00 0.00 0.00 175.76 175.28 2kdn s PHE 90 N 2.23 3.59 0.21 0.00 5.36 -1.26 -2.13 117.98 125.97 2kdn s PHE 90 Ca 0.07 0.94 0.11 0.00 -0.96 0.00 0.00 56.93 57.09 2kdn s PHE 90 Cb -0.15 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 2kdn s PHE 90 CO -0.25 0.32 -0.22 0.45 -1.46 0.00 0.00 175.22 174.06 2kdn s SER 91 N 0.06 3.31 -0.05 6.13 0.15 0.56 -4.96 113.70 118.90 2kdn s SER 91 Ca 0.25 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 55.96 2kdn s SER 91 Cb -0.16 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.92 2kdn s SER 91 CO 0.11 0.07 0.13 0.00 1.20 0.00 0.00 173.24 174.75 2kdn s MET 92 N -2.89 0.14 -0.33 5.44 0.23 -1.26 -0.75 119.30 119.88 2kdn s MET 92 Ca 0.22 0.20 -0.04 0.00 -1.03 0.00 0.00 55.69 55.04 2kdn s MET 92 Cb -0.07 0.05 0.05 0.00 -1.53 0.00 0.00 34.83 33.33 2kdn s MET 92 CO 0.10 -0.03 0.06 0.15 -2.03 0.00 0.00 175.02 173.27 2kdn s LYS 93 N 0.18 2.47 -0.43 3.16 -0.14 0.44 -4.88 119.74 120.54 2kdn s LYS 93 Ca -0.01 -1.28 -0.26 0.00 -1.36 0.00 0.00 55.97 53.06 2kdn s LYS 93 Cb -0.02 -3.33 0.02 0.00 -1.68 0.00 0.00 37.83 32.82 2kdn s LYS 93 CO -0.00 -0.68 0.95 0.00 -0.76 0.00 0.00 175.35 174.86 2kdn s HIS 95 N 3.74 1.19 0.24 0.00 3.76 -0.43 -4.99 115.29 118.80 2kdn s HIS 95 Ca 0.39 -0.71 0.06 0.00 -0.15 0.00 0.00 55.06 54.65 2kdn s HIS 95 Cb -0.10 -0.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.93 2kdn s HIS 95 CO 0.24 0.05 0.28 0.95 -0.85 0.00 0.00 174.74 175.41 2kdn s THR 96 N -2.88 4.91 0.31 1.30 -4.23 -1.26 -1.91 115.64 111.88 2kdn s THR 96 Ca 0.11 -1.14 -0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2kdn s THR 96 Cb -0.00 -3.65 0.24 0.00 1.34 0.00 0.00 72.50 70.43 2kdn s THR 96 CO 0.00 -0.32 1.96 1.55 -0.54 0.00 0.00 174.62 177.27 2kdn h PRO 97 N 1.40 0.94 -0.10 3.99 0.13 -1.85 0.60 132.00 137.10 2kdn h PRO 97 Ca -0.50 -0.08 -0.12 0.00 -0.87 0.00 0.00 66.00 64.43 2kdn h PRO 97 Cb 1.23 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2kdn h PRO 97 CO 0.61 0.66 -0.45 -0.07 -0.23 0.00 0.00 178.00 178.52 2kdn h LEU 98 N 0.96 0.27 0.03 1.56 -0.00 -1.95 -0.51 115.31 115.67 2kdn h LEU 98 Ca 0.25 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2kdn h LEU 98 Cb -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2kdn h LEU 98 CO -0.05 0.69 -0.02 -0.08 -0.00 0.00 0.00 178.44 178.99 2kdn h GLU 99 N 0.21 -0.04 -0.43 1.13 4.81 -1.81 -3.29 114.58 115.15 2kdn h GLU 99 Ca 0.01 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2kdn h GLU 99 Cb 0.89 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2kdn h GLU 99 CO 0.07 0.53 0.11 -0.92 -0.73 0.00 0.00 179.01 178.08 2kdn h TYR 100 N -0.65 0.64 -0.29 0.92 3.20 -0.81 -2.35 116.97 117.63 2kdn h TYR 100 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2kdn h TYR 100 Cb 0.59 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kdn h TYR 100 CO 0.13 0.55 0.15 0.22 -1.64 0.00 0.00 178.16 177.57 2kdn h ASP 101 N 0.62 0.34 1.59 -2.11 3.58 -1.17 0.70 116.42 119.97 2kdn h ASP 101 Ca 0.14 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2kdn h ASP 101 Cb 0.22 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 2kdn h ASP 101 CO -0.00 0.29 -0.23 0.11 -2.88 0.00 0.00 179.24 176.52 2kdn h LYS 102 N 0.40 0.00 0.13 0.28 6.56 -1.49 -3.21 116.57 119.23 2kdn h LYS 102 Ca 0.10 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.47 2kdn h LYS 102 Cb 0.02 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2kdn h LYS 102 CO -0.02 0.23 -0.97 -0.07 -2.06 0.00 0.00 179.45 176.57 2kdn h LEU 103 N 0.00 0.63 -1.37 2.94 3.38 -0.74 -3.25 115.31 116.90 2kdn h LEU 103 Ca -0.00 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 2kdn h LEU 103 Cb 1.09 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2kdn h LEU 103 CO 0.03 1.46 0.21 0.07 0.09 0.00 0.00 178.44 180.29 2kdn h LYS 104 N -0.10 0.63 -0.74 1.13 2.10 -1.21 0.26 116.57 118.64 2kdn h LYS 104 Ca -0.16 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.37 2kdn h LYS 104 Cb 1.72 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 32.89 2kdn h LYS 104 CO 0.18 0.50 0.28 0.77 -2.00 0.00 0.00 179.45 179.18 2kdn h SER 105 N 0.63 1.04 0.15 7.07 0.02 -1.62 -3.21 113.55 117.64 2kdn h SER 105 Ca 0.16 -0.18 -0.33 0.00 -0.84 0.00 0.00 61.79 60.59 2kdn h SER 105 Cb 0.09 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.36 2kdn h SER 105 CO -0.02 0.94 -1.71 0.07 -1.14 0.00 0.00 176.83 174.98 2kdn h LYS 106 N 1.08 0.32 0.00 3.45 2.10 -1.52 -3.48 116.57 118.52 2kdn h LYS 106 Ca 0.24 -0.56 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kdn h LYS 106 Cb 0.24 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2kdn h LYS 106 CO -0.02 1.27 0.00 0.41 -2.00 0.00 0.00 179.45 179.11 2kdn n GLY 107 N 1.85 2.47 0.00 0.07 0.00 0.87 -5.13 105.19 105.33 2kdn n GLY 107 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2kdn n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76