#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdn s GLY 2 N 0.00 2.05 0.34 3.17 0.00 -1.26 -5.07 107.32 106.56 2kdn s GLY 2 Ca 0.00 -2.31 -0.14 0.00 0.00 0.00 0.00 44.72 42.27 2kdn s GLY 2 CO 0.00 1.10 0.75 -0.56 0.00 0.00 0.00 173.10 174.39 2kdn s SER 3 N 2.88 6.73 -0.06 1.64 0.01 -1.26 -4.95 113.70 118.69 2kdn s SER 3 Ca 0.04 1.27 -0.00 0.00 1.31 0.00 0.00 55.95 58.57 2kdn s SER 3 Cb -0.26 -2.37 0.05 0.00 0.21 0.00 0.00 66.02 63.64 2kdn s SER 3 CO 0.04 -0.25 1.79 -1.20 0.41 0.00 0.00 173.24 174.02 2kdn n SER 4 N -0.56 4.97 -4.55 2.44 7.64 -1.26 -4.88 113.62 117.42 2kdn n SER 4 Ca 0.03 -2.44 -0.43 0.00 1.01 0.00 0.00 58.87 57.04 2kdn n SER 4 Cb 0.53 -0.98 -0.04 0.00 -1.01 0.00 0.00 64.21 62.71 2kdn n SER 4 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2kdn n HIS 5 N 1.06 1.73 -0.83 1.43 -0.00 -1.26 -0.84 115.22 116.51 2kdn n HIS 5 Ca 0.06 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2kdn n HIS 5 Cb 0.54 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 2kdn n HIS 5 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kdn n HIS 6 N 12.25 0.00 -0.31 1.57 -0.00 -1.26 -4.81 115.22 122.66 2kdn n HIS 6 Ca 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 58.05 2kdn n HIS 6 Cb 0.41 -1.19 0.22 0.00 -0.00 0.00 0.00 29.99 29.44 2kdn n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kdn n HIS 7 N -2.16 1.58 -4.08 1.57 -0.00 -0.02 -4.87 115.22 107.24 2kdn n HIS 7 Ca 0.00 -0.76 -0.13 0.00 -0.00 0.00 0.00 57.72 56.83 2kdn n HIS 7 Cb 0.17 -0.48 -0.05 0.00 -0.00 0.00 0.00 29.99 29.63 2kdn n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kdn s HIS 8 N -2.16 0.88 0.03 1.57 5.65 -1.25 -5.00 115.29 115.00 2kdn s HIS 8 Ca 0.36 -1.15 -0.20 0.00 0.25 0.00 0.00 55.06 54.32 2kdn s HIS 8 Cb 0.29 -0.07 -0.06 0.00 -1.18 0.00 0.00 32.58 31.56 2kdn s HIS 8 CO 0.09 -1.03 0.59 -1.58 -0.65 0.00 0.00 174.74 172.16 2kdn s HIS 9 N -3.46 3.73 0.13 3.88 5.04 -1.26 -5.06 115.29 118.28 2kdn s HIS 9 Ca 0.29 1.24 -0.10 0.00 -1.54 0.00 0.00 55.06 54.95 2kdn s HIS 9 Cb 0.00 -2.58 -0.06 0.00 0.04 0.00 0.00 32.58 29.98 2kdn s HIS 9 CO 0.16 0.43 0.45 -1.58 -2.34 0.00 0.00 174.74 171.86 2kdn s HIS 10 N -0.51 3.54 0.00 3.88 5.65 -1.26 -4.02 115.29 122.57 2kdn s HIS 10 Ca 0.31 0.82 0.00 0.00 0.25 0.00 0.00 55.06 56.43 2kdn s HIS 10 Cb -0.19 -2.19 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 2kdn s HIS 10 CO 0.18 0.45 0.00 0.43 -0.65 0.00 0.00 174.74 175.15 2kdn n SER 11 N 0.59 0.00 -0.99 9.88 7.64 -1.26 -4.41 113.62 125.06 2kdn n SER 11 Ca -0.05 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.86 2kdn n SER 11 Cb 0.52 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.89 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 2.46 2.78 -1.82 6.43 7.64 -1.26 -4.10 113.62 125.75 2kdn n SER 12 Ca 0.00 -2.31 -0.10 0.00 1.01 0.00 0.00 58.87 57.47 2kdn n SER 12 Cb 0.00 -0.49 -0.03 0.00 -1.01 0.00 0.00 64.21 62.68 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 3.23 0.01 0.23 0.00 -1.26 -3.25 105.19 104.62 2kdn n GLY 13 Ca 0.12 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 2kdn n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kdn n ARG 14 N 1.35 2.70 0.00 1.61 1.85 -1.26 -4.57 116.66 118.34 2kdn n ARG 14 Ca 0.22 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 57.19 2kdn n ARG 14 Cb 0.62 -1.03 0.02 0.00 -1.05 0.00 0.00 32.46 31.02 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kdn n GLU 15 N -2.19 1.53 0.00 2.89 0.28 -1.20 -4.35 120.64 117.60 2kdn n GLU 15 Ca -0.02 -1.24 0.10 0.00 -0.16 0.00 0.00 57.16 55.84 2kdn n GLU 15 Cb 0.54 -1.46 0.58 0.00 1.43 0.00 0.00 31.44 32.52 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 0.35 0.00 0.11 -1.84 2.04 -1.26 -1.62 115.26 113.05 2kdn n ASN 16 Ca 0.10 -0.56 0.12 0.00 -0.44 0.00 0.00 54.58 53.81 2kdn n ASN 16 Cb 0.49 -0.03 0.27 0.00 -2.53 0.00 0.00 39.78 37.99 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 -9.17 -4.53 4.07 -1.94 -3.47 115.31 100.27 2kdn h LEU 17 Ca 0.00 -0.06 -0.47 0.00 0.08 0.00 0.00 57.88 57.44 2kdn h LEU 17 Cb 0.02 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 41.62 2kdn h LEU 17 CO 0.00 0.03 -0.63 -0.31 -1.08 0.00 0.00 178.44 176.45 2kdn s TYR 18 N -3.16 1.92 -1.87 1.13 2.02 -0.64 -5.04 117.35 111.72 2kdn s TYR 18 Ca 0.08 -0.90 0.16 0.00 -0.37 0.00 0.00 57.07 56.05 2kdn s TYR 18 Cb 0.11 -1.21 0.50 0.00 -0.40 0.00 0.00 41.96 40.95 2kdn s TYR 18 CO 0.66 0.06 1.41 1.97 -1.57 0.00 0.00 175.55 178.08 2kdn n PHE 19 N -0.64 0.81 0.00 2.71 -1.74 -1.26 -4.96 117.46 112.37 2kdn n PHE 19 Ca -0.03 -0.38 0.00 0.00 -0.56 0.00 0.00 57.45 56.47 2kdn n PHE 19 Cb 0.66 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 41.62 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 1.06 0.00 -1.04 3.97 3.00 -1.26 -4.79 117.38 118.32 2kdn n GLN 20 Ca 0.19 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.85 2kdn n GLN 20 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.72 2kdn n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kdn n GLY 21 N 0.00 3.29 3.56 1.08 0.00 -1.26 -4.72 105.19 107.15 2kdn n GLY 21 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 3.60 -0.24 -1.22 1.61 5.04 -1.26 -5.06 115.29 117.76 2kdn s HIS 22 Ca 0.49 0.22 -0.21 0.00 -1.54 0.00 0.00 55.06 54.02 2kdn s HIS 22 Cb 0.13 0.51 -0.03 0.00 0.04 0.00 0.00 32.58 33.23 2kdn s HIS 22 CO -0.01 -0.33 1.86 -1.64 -2.34 0.00 0.00 174.74 172.29 2kdn s MET 23 N -2.33 3.04 -0.19 2.88 1.00 -1.26 -4.92 119.30 117.52 2kdn s MET 23 Ca 0.06 -1.45 -0.19 0.00 0.00 0.00 0.00 55.69 54.11 2kdn s MET 23 Cb -0.01 -5.35 -0.03 0.00 0.00 0.00 0.00 34.83 29.44 2kdn s MET 23 CO -0.05 -3.34 0.54 0.00 0.00 0.00 0.00 175.02 172.17 2kdn h ILE 25 N 5.11 0.98 0.20 0.00 -0.00 -2.00 -1.80 117.51 120.01 2kdn h ILE 25 Ca -0.34 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.31 2kdn h ILE 25 Cb 1.15 0.28 -0.02 0.00 -0.00 0.00 0.00 36.82 38.23 2kdn h ILE 25 CO 0.75 0.12 -0.21 -0.61 -0.00 0.00 0.00 178.15 178.19 2kdn h GLN 26 N 0.65 -0.43 -0.70 2.19 5.75 -1.99 -2.42 115.11 118.15 2kdn h GLN 26 Ca 0.30 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.78 2kdn h GLN 26 Cb 0.34 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 2kdn h GLN 26 CO -0.10 -0.29 0.23 -0.22 -2.65 0.00 0.00 178.83 175.80 2kdn h LYS 27 N -0.45 1.09 -0.30 1.69 1.63 -1.75 -2.24 116.57 116.25 2kdn h LYS 27 Ca 0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2kdn h LYS 27 Cb 0.42 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2kdn h LYS 27 CO -0.06 0.93 0.19 0.28 -3.45 0.00 0.00 179.45 177.34 2kdn h VAL 28 N 1.03 1.10 -0.34 2.00 2.07 -1.31 -1.15 116.25 119.65 2kdn h VAL 28 Ca 0.23 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2kdn h VAL 28 Cb 0.29 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2kdn h VAL 28 CO -0.01 0.09 0.18 0.40 0.02 0.00 0.00 177.57 178.26 2kdn h ILE 29 N 0.39 1.01 -0.04 4.57 5.03 -1.18 -2.39 117.51 124.92 2kdn h ILE 29 Ca 0.11 -0.13 0.03 0.00 -0.12 0.00 0.00 64.86 64.75 2kdn h ILE 29 Cb -0.01 0.60 -0.03 0.00 -3.03 0.00 0.00 36.82 34.35 2kdn h ILE 29 CO -0.02 0.07 -0.14 -0.33 -0.68 0.00 0.00 178.15 177.05 2kdn h GLU 30 N 0.38 -0.21 -0.54 2.37 5.08 -1.09 -2.77 114.58 117.79 2kdn h GLU 30 Ca 0.14 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2kdn h GLU 30 Cb 0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2kdn h GLU 30 CO -0.08 -0.14 0.16 -0.44 -1.00 0.00 0.00 179.01 177.51 2kdn h ASP 31 N -0.22 0.76 -0.05 1.42 3.32 -0.96 0.68 116.42 121.38 2kdn h ASP 31 Ca 0.06 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2kdn h ASP 31 Cb 0.30 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2kdn h ASP 31 CO -0.16 0.73 -0.15 0.11 -1.72 0.00 0.00 179.24 178.05 2kdn h LYS 32 N 0.80 0.18 -0.01 3.56 1.57 -1.31 -2.79 116.57 118.55 2kdn h LYS 32 Ca 0.18 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 2kdn h LYS 32 Cb 0.25 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2kdn h LYS 32 CO -0.01 0.76 -0.73 1.37 -0.57 0.00 0.00 179.45 180.27 2kdn h LEU 33 N -0.37 0.13 -0.89 2.94 8.10 -1.41 -3.20 115.31 120.61 2kdn h LEU 33 Ca -0.01 -0.09 -0.11 0.00 0.11 0.00 0.00 57.88 57.78 2kdn h LEU 33 Cb 0.77 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 2kdn h LEU 33 CO 0.03 0.82 -0.38 0.28 -4.11 0.00 0.00 178.44 175.09 2kdn h SER 34 N 0.07 0.37 0.50 0.17 0.02 -0.91 0.57 113.55 114.33 2kdn h SER 34 Ca -0.02 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 2kdn h SER 34 Cb 1.30 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2kdn h SER 34 CO 0.10 0.72 -0.29 0.28 -1.14 0.00 0.00 176.83 176.50 2kdn h SER 35 N 0.30 0.00 0.00 3.07 0.02 -1.49 0.13 113.55 115.59 2kdn h SER 35 Ca 0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 2kdn h SER 35 Cb 0.80 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2kdn h SER 35 CO 0.06 0.29 -1.06 0.00 -1.14 0.00 0.00 176.83 174.98 2kdn h ALA 36 N 1.71 0.20 0.06 3.77 0.00 -1.47 -3.41 119.26 120.12 2kdn h ALA 36 Ca -0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 54.91 53.60 2kdn h ALA 36 Cb 0.61 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2kdn h ALA 36 CO 0.04 0.65 -1.47 -0.07 0.00 0.00 0.00 179.25 178.40 2kdn h LEU 37 N -1.00 0.20 -2.63 0.00 3.38 -0.98 -3.49 115.31 110.78 2kdn h LEU 37 Ca -0.26 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.32 2kdn h LEU 37 Cb 1.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2kdn h LEU 37 CO -0.16 1.24 -0.47 0.29 0.09 0.00 0.00 178.44 179.44 2kdn n LYS 38 N -3.32 -1.85 -2.87 1.13 4.76 0.03 -4.54 118.16 111.50 2kdn n LYS 38 Ca -0.13 1.66 -0.41 0.00 -2.87 0.00 0.00 58.31 56.57 2kdn n LYS 38 Cb 1.02 -4.91 -0.05 0.00 -1.84 0.00 0.00 35.03 29.26 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kdn s PRO 39 N -2.99 4.57 0.25 1.97 0.04 -1.26 -4.51 135.00 133.07 2kdn s PRO 39 Ca 0.15 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.50 2kdn s PRO 39 Cb -0.03 -3.38 0.28 0.00 0.04 0.00 0.00 34.50 31.40 2kdn s PRO 39 CO 0.79 0.21 1.57 1.79 0.04 0.00 0.00 177.00 181.39 2kdn h THR 40 N 4.21 1.46 -3.43 1.26 1.35 -1.09 -3.43 112.91 113.24 2kdn h THR 40 Ca -0.43 -2.23 -0.26 0.00 -0.55 0.00 0.00 66.41 62.95 2kdn h THR 40 Cb 1.21 2.20 -0.31 0.00 -1.73 0.00 0.00 68.15 69.51 2kdn h THR 40 CO 0.72 0.64 -0.65 0.12 -0.25 0.00 0.00 175.52 176.09 2kdn s PHE 41 N -3.54 -0.07 -0.08 4.73 5.36 -0.97 -4.71 117.98 118.70 2kdn s PHE 41 Ca -0.02 0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 56.21 2kdn s PHE 41 Cb 0.12 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 2kdn s PHE 41 CO 0.78 -0.11 0.13 -1.17 -1.46 0.00 0.00 175.22 173.39 2kdn s LEU 42 N 0.85 0.01 -0.19 6.12 0.20 -1.26 -0.40 118.68 124.02 2kdn s LEU 42 Ca -0.07 0.18 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 2kdn s LEU 42 Cb -0.09 0.12 0.01 0.00 -0.43 0.00 0.00 46.19 45.80 2kdn s LEU 42 CO -0.03 -0.26 -0.14 -0.70 -0.29 0.00 0.00 176.35 174.93 2kdn s GLU 43 N 2.25 3.14 -0.23 1.98 2.12 -0.50 -4.30 118.70 123.17 2kdn s GLU 43 Ca 0.04 -0.75 -0.22 0.00 0.36 0.00 0.00 54.97 54.39 2kdn s GLU 43 Cb -0.12 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 2kdn s GLU 43 CO -0.05 -0.18 0.70 -0.51 -0.54 0.00 0.00 175.26 174.67 2kdn s LEU 44 N 1.31 4.10 -0.22 2.70 2.01 -1.26 -1.01 118.68 126.31 2kdn s LEU 44 Ca 0.04 0.87 -0.05 0.00 0.01 0.00 0.00 54.13 55.00 2kdn s LEU 44 Cb -0.14 -2.98 -0.02 0.00 0.01 0.00 0.00 46.19 43.06 2kdn s LEU 44 CO -0.09 -0.38 -0.00 -0.69 1.01 0.00 0.00 176.35 176.20 2kdn s VAL 45 N 2.40 3.80 -0.52 -1.59 1.01 0.30 -5.02 120.40 120.78 2kdn s VAL 45 Ca 0.30 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 2kdn s VAL 45 Cb -0.16 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2kdn s VAL 45 CO 0.09 0.41 1.93 -0.62 0.00 0.00 0.00 175.10 176.90 2kdn s ASP 46 N 1.29 5.31 -0.32 3.32 -1.08 -1.26 -2.33 116.67 121.60 2kdn s ASP 46 Ca 0.04 0.69 -0.02 0.00 -0.52 0.00 0.00 52.55 52.74 2kdn s ASP 46 Cb -0.15 -2.52 0.10 0.00 -1.46 0.00 0.00 42.92 38.89 2kdn s ASP 46 CO 0.00 -2.28 2.45 1.17 0.52 0.00 0.00 175.17 177.03 2kdn n LYS 47 N 8.97 1.99 -2.54 4.34 4.81 -1.24 -4.73 118.16 129.77 2kdn n LYS 47 Ca 0.23 -1.70 -0.03 0.00 -0.87 0.00 0.00 58.31 55.94 2kdn n LYS 47 Cb 0.51 -1.81 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2kdn n LYS 47 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2kdn n SER 48 N 0.82 -6.26 0.24 3.14 7.64 -1.26 -4.39 113.62 113.54 2kdn n SER 48 Ca 0.36 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 60.27 2kdn n SER 48 Cb 0.60 -4.16 -0.10 0.00 -1.01 0.00 0.00 64.21 59.54 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 -1.54 3.30 0.99 0.00 0.00 -1.26 -0.30 105.19 106.37 2kdn n GLY 50 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.14 0.86 0.00 0.00 0.00 -0.18 -5.11 105.19 100.90 2kdn n GLY 52 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2kdn n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kdn n THR 53 N -0.06 0.00 -3.62 2.61 -1.04 0.59 -4.82 114.28 107.94 2kdn n THR 53 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2kdn n THR 53 Cb 0.02 -0.40 -0.06 0.00 -1.82 0.00 0.00 70.33 68.08 2kdn n THR 53 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2kdn s SER 54 N -1.00 -0.34 -0.04 8.00 0.01 -1.26 -3.42 113.70 115.66 2kdn s SER 54 Ca 0.00 0.01 0.05 0.00 1.31 0.00 0.00 55.95 57.31 2kdn s SER 54 Cb 0.00 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 2kdn s SER 54 CO 0.00 -0.73 -0.18 -0.36 0.41 0.00 0.00 173.24 172.38 2kdn s PHE 55 N -2.73 1.78 -0.19 2.43 0.08 -0.04 -3.66 117.98 115.65 2kdn s PHE 55 Ca -0.04 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.51 2kdn s PHE 55 Cb -0.00 -1.19 -0.01 0.00 -0.57 0.00 0.00 43.02 41.25 2kdn s PHE 55 CO -0.04 -0.15 -0.08 0.34 -0.10 0.00 0.00 175.22 175.19 2kdn s ASP 56 N -0.07 4.12 -0.17 1.36 2.15 -0.98 -1.11 116.67 121.96 2kdn s ASP 56 Ca -0.02 -0.40 0.01 0.00 0.43 0.00 0.00 52.55 52.57 2kdn s ASP 56 Cb -0.11 -1.68 0.01 0.00 -0.30 0.00 0.00 42.92 40.84 2kdn s ASP 56 CO 0.02 0.03 -0.19 0.00 -0.17 0.00 0.00 175.17 174.86 2kdn s ALA 57 N 1.19 2.37 -0.43 3.66 0.00 -0.38 -0.54 121.76 127.63 2kdn s ALA 57 Ca 0.02 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 50.59 2kdn s ALA 57 Cb -0.14 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.82 2kdn s ALA 57 CO -0.02 -0.22 0.84 0.08 0.00 0.00 0.00 175.76 176.44 2kdn s VAL 58 N 1.10 4.60 -0.27 0.00 1.01 -0.18 -0.40 120.40 126.26 2kdn s VAL 58 Ca 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 2kdn s VAL 58 Cb -0.14 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2kdn s VAL 58 CO -0.07 -0.68 0.03 -0.51 0.00 0.00 0.00 175.10 173.87 2kdn s ILE 59 N 3.41 3.70 -0.30 2.22 -1.16 -0.16 -1.41 121.20 127.50 2kdn s ILE 59 Ca 0.33 -0.67 -0.07 0.00 -0.51 0.00 0.00 60.65 59.73 2kdn s ILE 59 Cb -0.12 -2.85 0.01 0.00 0.61 0.00 0.00 42.46 40.12 2kdn s ILE 59 CO 0.22 0.19 0.09 -0.69 -2.81 0.00 0.00 174.94 171.94 2kdn s VAL 60 N 1.47 4.00 -0.03 4.00 1.01 0.47 -0.42 120.40 130.91 2kdn s VAL 60 Ca 0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 2kdn s VAL 60 Cb -0.16 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2kdn s VAL 60 CO 0.00 0.03 0.18 -0.94 0.00 0.00 0.00 175.10 174.38 2kdn s SER 61 N 1.50 -0.09 0.53 3.32 1.04 -0.92 -0.39 113.70 118.69 2kdn s SER 61 Ca 0.02 0.05 0.30 0.00 0.48 0.00 0.00 55.95 56.80 2kdn s SER 61 Cb -0.18 0.29 1.42 0.00 0.10 0.00 0.00 66.02 67.66 2kdn s SER 61 CO 0.03 -0.27 2.03 -1.13 0.98 0.00 0.00 173.24 174.87 2kdn h ASN 62 N 4.78 0.00 -0.08 7.02 -0.00 -1.90 -3.27 115.58 122.14 2kdn h ASN 62 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 55.98 2kdn h ASN 62 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.50 2kdn h ASN 62 CO 0.40 0.10 -0.02 -1.13 -0.00 0.00 0.00 177.43 176.78 2kdn h ASN 63 N 0.00 0.24 -0.06 1.15 -1.24 -1.83 -1.56 115.58 112.28 2kdn h ASN 63 Ca -0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 2kdn h ASN 63 Cb 0.44 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.43 2kdn h ASN 63 CO 0.01 0.30 0.00 0.49 -1.29 0.00 0.00 177.43 176.95 2kdn n PHE 64 N -4.37 0.05 0.30 0.67 3.72 -1.23 -4.36 117.46 112.24 2kdn n PHE 64 Ca -0.00 -0.02 0.16 0.00 -0.05 0.00 0.00 57.45 57.53 2kdn n PHE 64 Cb 0.19 0.00 0.61 0.00 -0.94 0.00 0.00 39.48 39.34 2kdn n PHE 64 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2kdn h GLU 65 N 4.32 0.00 -0.00 -1.08 -0.00 -1.40 -2.60 114.58 113.82 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 -0.22 -3.47 -0.00 0.00 0.00 179.01 175.32 2kdn n ASP 66 N -2.93 0.24 -0.84 3.06 2.03 -1.26 -4.93 116.55 111.93 2kdn n ASP 66 Ca 0.01 0.12 -0.11 0.00 0.52 0.00 0.00 54.79 55.33 2kdn n ASP 66 Cb 0.31 -0.16 -0.05 0.00 -0.72 0.00 0.00 41.12 40.50 2kdn n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kdn n LYS 67 N -1.46 -0.81 -2.36 -0.67 4.81 -0.98 -4.95 118.16 111.74 2kdn n LYS 67 Ca 0.07 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 57.95 2kdn n LYS 67 Cb 0.33 -4.85 -0.02 0.00 0.02 0.00 0.00 35.03 30.51 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2kdn s LYS 68 N -2.89 3.62 0.05 1.64 -0.14 -1.26 -4.90 119.74 115.86 2kdn s LYS 68 Ca 0.00 0.98 -0.22 0.00 -1.36 0.00 0.00 55.97 55.37 2kdn s LYS 68 Cb 0.00 -4.01 -0.14 0.00 -1.68 0.00 0.00 37.83 32.00 2kdn s LYS 68 CO 0.00 -1.51 1.46 1.37 -0.76 0.00 0.00 175.35 175.91 2kdn h LEU 69 N 12.02 0.20 -1.15 3.17 8.10 -1.99 -1.29 115.31 134.37 2kdn h LEU 69 Ca -0.27 -0.33 -0.09 0.00 0.11 0.00 0.00 57.88 57.30 2kdn h LEU 69 Cb 1.10 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.26 2kdn h LEU 69 CO 1.08 0.48 -0.37 0.17 -4.11 0.00 0.00 178.44 175.69 2kdn h LEU 70 N -0.08 0.10 -0.04 0.17 -0.00 -1.98 -1.23 115.31 112.24 2kdn h LEU 70 Ca 0.03 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2kdn h LEU 70 Cb 0.38 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2kdn h LEU 70 CO 0.01 0.47 -0.19 -0.78 -0.00 0.00 0.00 178.44 177.94 2kdn h ASP 71 N 0.08 0.24 -0.03 0.17 3.58 -1.90 -0.21 116.42 118.35 2kdn h ASP 71 Ca 0.01 -0.66 -0.08 0.00 0.42 0.00 0.00 57.03 56.72 2kdn h ASP 71 Cb 0.70 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2kdn h ASP 71 CO 0.05 0.85 -0.22 0.08 -2.88 0.00 0.00 179.24 177.12 2kdn h ARG 72 N -0.37 0.42 0.02 0.28 0.11 -1.22 -2.06 114.38 111.57 2kdn h ARG 72 Ca -0.01 -0.14 -0.00 0.00 0.10 0.00 0.00 59.98 59.92 2kdn h ARG 72 Cb 0.85 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.89 2kdn h ARG 72 CO 0.04 0.62 -0.01 1.25 0.10 0.00 0.00 179.97 181.97 2kdn h HIS 73 N 0.38 -0.02 -0.48 4.08 2.76 -1.14 -2.03 115.15 118.70 2kdn h HIS 73 Ca 0.06 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 2kdn h HIS 73 Cb 0.60 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2kdn h HIS 73 CO 0.02 0.32 -0.03 0.07 -1.30 0.00 0.00 177.93 177.00 2kdn h ARG 74 N -0.37 0.81 0.64 5.26 0.11 -0.96 -1.41 114.38 118.46 2kdn h ARG 74 Ca -0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 59.98 59.81 2kdn h ARG 74 Cb 0.35 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.35 2kdn h ARG 74 CO 0.00 0.84 -0.31 -0.07 0.10 0.00 0.00 179.97 180.54 2kdn h LEU 75 N 0.75 -0.72 -0.13 0.08 3.38 -1.39 -2.24 115.31 115.04 2kdn h LEU 75 Ca 0.14 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2kdn h LEU 75 Cb 0.50 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2kdn h LEU 75 CO 0.03 -0.39 -0.03 0.58 0.09 0.00 0.00 178.44 178.71 2kdn h VAL 76 N -1.06 0.87 -0.46 1.22 2.07 -1.30 -2.50 116.25 115.10 2kdn h VAL 76 Ca -0.09 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2kdn h VAL 76 Cb 0.70 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2kdn h VAL 76 CO 0.14 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.55 2kdn h ASN 77 N 0.00 0.76 0.34 0.57 -0.26 -1.33 0.10 115.58 115.77 2kdn h ASN 77 Ca 0.06 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.50 2kdn h ASN 77 Cb 0.09 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 2kdn h ASN 77 CO -0.13 0.86 -0.16 0.74 -1.06 0.00 0.00 177.43 177.67 2kdn h THR 78 N 0.65 0.68 0.02 2.81 2.02 -1.25 -2.11 112.91 115.72 2kdn h THR 78 Ca 0.14 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2kdn h THR 78 Cb 0.44 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2kdn h THR 78 CO 0.02 0.06 -0.01 0.40 0.37 0.00 0.00 175.52 176.36 2kdn h ILE 79 N -0.62 1.49 0.00 3.11 5.03 -1.48 -3.35 117.51 121.70 2kdn h ILE 79 Ca -0.05 -1.87 0.00 0.00 -0.12 0.00 0.00 64.86 62.83 2kdn h ILE 79 Cb 0.45 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 36.94 2kdn h ILE 79 CO 0.08 0.46 0.00 -0.07 -0.68 0.00 0.00 178.15 177.94 2kdn h LEU 80 N -0.87 0.00 0.44 1.44 3.38 -0.90 -2.22 115.31 116.59 2kdn h LEU 80 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kdn h LEU 80 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kdn h LEU 80 CO 0.00 0.00 -0.21 0.50 0.09 0.00 0.00 178.44 178.82 2kdn h LYS 81 N 0.00 -0.57 -0.38 1.13 3.64 -1.49 0.15 116.57 119.05 2kdn h LYS 81 Ca 0.00 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2kdn h LYS 81 Cb 0.46 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2kdn h LYS 81 CO 0.00 -0.27 0.26 1.49 -2.27 0.00 0.00 179.45 178.66 2kdn h GLU 82 N -0.88 0.32 0.37 1.90 4.22 -1.68 -2.07 114.58 116.75 2kdn h GLU 82 Ca -0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.34 2kdn h GLU 82 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kdn h GLU 82 CO 0.10 0.21 -0.18 1.49 -2.18 0.00 0.00 179.01 178.45 2kdn h GLU 83 N 0.32 -0.48 -0.97 1.92 4.57 -1.17 -2.76 114.58 116.01 2kdn h GLU 83 Ca 0.16 0.03 0.28 0.00 -1.18 0.00 0.00 59.36 58.65 2kdn h GLU 83 Cb 0.24 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2kdn h GLU 83 CO -0.04 -0.31 0.69 -0.07 -1.18 0.00 0.00 179.01 178.11 2kdn h LEU 84 N -0.52 0.05 -1.88 1.64 3.38 0.01 -1.60 115.31 116.39 2kdn h LEU 84 Ca -0.05 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.04 2kdn h LEU 84 Cb 0.40 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2kdn h LEU 84 CO 0.08 0.01 0.50 1.56 0.09 0.00 0.00 178.44 180.69 2kdn h GLN 85 N 0.05 0.00 -0.01 1.13 1.08 -1.30 0.50 115.11 116.56 2kdn h GLN 85 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2kdn h GLN 85 Cb 1.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 2kdn h GLN 85 CO -0.03 0.00 -0.48 0.09 -0.95 0.00 0.00 178.83 177.46 2kdn n ASN 86 N -3.54 1.16 -4.39 1.46 3.02 -0.60 -4.92 115.26 107.44 2kdn n ASN 86 Ca 0.07 -0.93 -0.28 0.00 -0.03 0.00 0.00 54.58 53.41 2kdn n ASN 86 Cb 0.66 0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 40.08 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 -2.68 2.26 -0.02 2.41 1.01 0.17 -5.04 121.20 119.31 2kdn s ILE 87 Ca 0.18 -1.83 -0.22 0.00 0.00 0.00 0.00 60.65 58.78 2kdn s ILE 87 Cb 0.18 -2.01 -0.23 0.00 0.01 0.00 0.00 42.46 40.41 2kdn s ILE 87 CO 0.62 0.02 1.08 -0.74 0.00 0.00 0.00 174.94 175.93 2kdn h HIS 88 N 3.70 0.44 -2.05 3.97 -0.00 -1.85 -3.46 115.15 115.91 2kdn h HIS 88 Ca -0.49 -0.23 -0.02 0.00 -0.00 0.00 0.00 60.37 59.62 2kdn h HIS 88 Cb 1.18 -0.05 -0.24 0.00 -0.00 0.00 0.00 27.41 28.29 2kdn h HIS 88 CO 0.63 1.03 -0.29 0.00 -0.00 0.00 0.00 177.93 179.30 2kdn s ALA 89 N -3.23 -1.59 -0.18 5.26 0.00 -1.22 -5.01 121.76 115.78 2kdn s ALA 89 Ca -0.14 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 2kdn s ALA 89 Cb 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2kdn s ALA 89 CO 0.78 -0.96 -0.13 0.12 0.00 0.00 0.00 175.76 175.57 2kdn s PHE 90 N 2.73 2.83 -0.13 0.00 5.36 -1.26 -0.86 117.98 126.66 2kdn s PHE 90 Ca 0.02 -1.18 0.01 0.00 -0.96 0.00 0.00 56.93 54.82 2kdn s PHE 90 Cb -0.13 -1.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.58 2kdn s PHE 90 CO -0.16 -0.59 -0.15 -1.54 -1.46 0.00 0.00 175.22 171.32 2kdn s SER 91 N 1.14 3.82 -0.09 6.13 1.04 -0.27 -4.97 113.70 120.49 2kdn s SER 91 Ca 0.01 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 2kdn s SER 91 Cb -0.14 -1.57 -0.03 0.00 0.10 0.00 0.00 66.02 64.37 2kdn s SER 91 CO -0.05 0.16 -0.01 0.00 0.98 0.00 0.00 173.24 174.32 2kdn s MET 92 N 0.40 2.99 -0.34 4.02 0.23 -1.26 -1.24 119.30 124.10 2kdn s MET 92 Ca -0.12 -0.43 -0.08 0.00 -1.03 0.00 0.00 55.69 54.04 2kdn s MET 92 Cb -0.16 -2.78 0.03 0.00 -1.53 0.00 0.00 34.83 30.39 2kdn s MET 92 CO 0.06 0.68 0.12 0.15 -2.03 0.00 0.00 175.02 174.00 2kdn s LYS 93 N -0.81 2.76 -0.33 3.16 -0.14 0.46 -4.94 119.74 119.91 2kdn s LYS 93 Ca 0.12 -1.09 -0.26 0.00 -1.36 0.00 0.00 55.97 53.38 2kdn s LYS 93 Cb -0.11 -3.50 0.01 0.00 -1.68 0.00 0.00 37.83 32.54 2kdn s LYS 93 CO 0.02 -0.63 0.94 0.00 -0.76 0.00 0.00 175.35 174.93 2kdn s HIS 95 N 3.37 1.16 0.03 0.00 2.46 0.44 -4.98 115.29 117.77 2kdn s HIS 95 Ca 0.39 -0.24 -0.05 0.00 0.47 0.00 0.00 55.06 55.64 2kdn s HIS 95 Cb -0.13 -0.76 -0.05 0.00 -0.13 0.00 0.00 32.58 31.51 2kdn s HIS 95 CO 0.15 -0.04 0.25 0.95 -2.47 0.00 0.00 174.74 173.58 2kdn s THR 96 N -0.20 5.33 0.29 0.89 -4.23 -1.26 -2.15 115.64 114.31 2kdn s THR 96 Ca 0.03 -0.00 0.33 0.00 -1.18 0.00 0.00 61.69 60.86 2kdn s THR 96 Cb -0.06 -3.58 0.35 0.00 1.34 0.00 0.00 72.50 70.56 2kdn s THR 96 CO -0.00 0.28 2.06 1.55 -0.54 0.00 0.00 174.62 177.97 2kdn h PRO 97 N 3.68 0.00 0.10 3.99 0.13 -1.91 -1.23 132.00 136.77 2kdn h PRO 97 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2kdn h PRO 97 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kdn h PRO 97 CO 0.69 0.07 -0.05 1.25 -0.23 0.00 0.00 178.00 179.72 2kdn h LEU 98 N 0.00 -0.12 -0.94 1.56 7.12 -1.95 -1.05 115.31 119.93 2kdn h LEU 98 Ca -0.00 -0.18 -0.11 0.00 0.13 0.00 0.00 57.88 57.72 2kdn h LEU 98 Cb 0.41 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2kdn h LEU 98 CO 0.01 0.11 -0.52 -0.33 -0.13 0.00 0.00 178.44 177.58 2kdn h GLU 99 N -0.35 0.00 -0.77 1.25 3.07 -1.92 -2.90 114.58 112.96 2kdn h GLU 99 Ca -0.01 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2kdn h GLU 99 Cb 0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 2kdn h GLU 99 CO 0.02 0.52 0.38 -0.92 -1.40 0.00 0.00 179.01 177.61 2kdn h TYR 100 N 0.00 1.11 -0.35 4.33 3.20 -1.03 -2.38 116.97 121.85 2kdn h TYR 100 Ca -0.01 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2kdn h TYR 100 Cb 0.94 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 2kdn h TYR 100 CO 0.00 0.81 0.18 0.22 -1.64 0.00 0.00 178.16 177.72 2kdn h ASP 101 N 1.09 0.42 0.87 -2.11 3.58 -0.98 -1.02 116.42 118.27 2kdn h ASP 101 Ca 0.27 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.63 2kdn h ASP 101 Cb 0.11 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2kdn h ASP 101 CO -0.04 0.35 -0.29 0.11 -2.88 0.00 0.00 179.24 176.50 2kdn h LYS 102 N 0.48 0.00 0.04 0.28 6.56 -1.43 -0.77 116.57 121.73 2kdn h LYS 102 Ca 0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 2kdn h LYS 102 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.70 2kdn h LYS 102 CO -0.02 0.29 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.57 2kdn h LEU 103 N 0.00 -0.05 -0.99 2.94 3.38 -0.97 -3.15 115.31 116.47 2kdn h LEU 103 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2kdn h LEU 103 Cb 0.80 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kdn h LEU 103 CO 0.04 0.68 0.00 0.07 0.09 0.00 0.00 178.44 179.31 2kdn h LYS 104 N -0.83 0.00 -0.09 1.13 2.10 -1.38 -2.88 116.57 114.61 2kdn h LYS 104 Ca -0.01 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2kdn h LYS 104 Cb 0.68 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2kdn h LYS 104 CO 0.01 0.00 -0.10 1.03 -2.00 0.00 0.00 179.45 178.39 2kdn h SER 105 N 0.00 0.24 -5.47 7.07 0.87 -1.15 -3.46 113.55 111.65 2kdn h SER 105 Ca 0.00 -0.49 -0.29 0.00 -1.23 0.00 0.00 61.79 59.77 2kdn h SER 105 Cb 0.33 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2kdn h SER 105 CO 0.00 0.68 -0.05 2.29 -0.53 0.00 0.00 176.83 179.22 2kdn n LYS 106 N -4.66 0.79 -1.20 2.24 2.85 -1.09 -5.05 118.16 112.04 2kdn n LYS 106 Ca -0.07 -1.88 0.04 0.00 -1.05 0.00 0.00 58.31 55.35 2kdn n LYS 106 Cb 0.33 -0.10 0.06 0.00 -0.65 0.00 0.00 35.03 34.67 2kdn n LYS 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kdn n GLY 107 N 0.82 1.92 0.00 2.58 0.00 -1.26 -4.92 105.19 104.33 2kdn n GLY 107 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18