#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 1.97 -0.32 3.03 0.00 -1.26 -5.03 107.32 105.72 2kdn s GLY 2 Ca 0.00 -1.69 -0.34 0.00 0.00 0.00 0.00 44.72 42.69 2kdn s GLY 2 CO 0.00 0.87 2.18 1.44 0.00 0.00 0.00 173.10 177.59 2kdn n SER 3 N 5.09 2.37 -4.64 1.64 7.64 -1.26 -4.88 113.62 119.58 2kdn n SER 3 Ca -0.11 0.41 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 2kdn n SER 3 Cb 0.47 -1.31 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 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 7.31 6.87 0.48 6.43 0.01 -1.26 -5.02 113.70 128.53 2kdn s SER 4 Ca 1.07 1.09 0.07 0.00 1.31 0.00 0.00 55.95 59.49 2kdn s SER 4 Cb -0.77 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 62.94 2kdn s SER 4 CO 0.47 -0.93 0.46 -1.00 0.41 0.00 0.00 173.24 172.65 2kdn s HIS 5 N 3.83 2.17 -0.03 2.43 4.02 -1.26 -5.12 115.29 121.32 2kdn s HIS 5 Ca 0.48 -0.64 -0.03 0.00 1.02 0.00 0.00 55.06 55.90 2kdn s HIS 5 Cb -0.13 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.58 29.28 2kdn s HIS 5 CO 0.18 -0.41 0.15 -1.01 1.02 0.00 0.00 174.74 174.67 2kdn s HIS 6 N -2.59 3.50 0.18 1.40 4.02 -1.26 -5.10 115.29 115.44 2kdn s HIS 6 Ca 0.46 0.35 -0.04 0.00 1.02 0.00 0.00 55.06 56.86 2kdn s HIS 6 Cb -0.03 -1.83 -0.05 0.00 -1.02 0.00 0.00 32.58 29.65 2kdn s HIS 6 CO 0.28 0.64 0.41 -1.01 1.02 0.00 0.00 174.74 176.07 2kdn s HIS 7 N -1.25 3.48 -0.02 1.40 0.09 -1.26 -5.04 115.29 112.69 2kdn s HIS 7 Ca 0.24 0.51 -0.30 0.00 -0.00 0.00 0.00 55.06 55.51 2kdn s HIS 7 Cb -0.12 -1.98 -0.05 0.00 -0.00 0.00 0.00 32.58 30.43 2kdn s HIS 7 CO 0.15 0.38 1.35 -1.58 -0.00 0.00 0.00 174.74 175.04 2kdn s HIS 8 N -1.78 2.92 0.45 1.40 5.04 -1.26 -5.01 115.29 117.05 2kdn s HIS 8 Ca 0.41 0.91 0.07 0.00 -1.54 0.00 0.00 55.06 54.91 2kdn s HIS 8 Cb -0.12 -3.60 -0.02 0.00 0.04 0.00 0.00 32.58 28.88 2kdn s HIS 8 CO 0.26 -2.16 0.27 -1.01 -2.34 0.00 0.00 174.74 169.76 2kdn s HIS 9 N 2.41 2.39 -0.26 3.88 3.76 -1.26 -5.10 115.29 121.11 2kdn s HIS 9 Ca 0.62 -0.64 -0.19 0.00 -0.15 0.00 0.00 55.06 54.70 2kdn s HIS 9 Cb -0.29 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 2kdn s HIS 9 CO 0.25 -0.03 0.59 -3.38 -0.85 0.00 0.00 174.74 171.32 2kdn s HIS 10 N -2.62 3.27 0.41 1.40 -0.00 -1.26 -5.06 115.29 111.43 2kdn s HIS 10 Ca 0.40 0.73 -0.01 0.00 -0.00 0.00 0.00 55.06 56.18 2kdn s HIS 10 Cb 0.01 -2.81 -0.02 0.00 -0.00 0.00 0.00 32.58 29.76 2kdn s HIS 10 CO 0.23 -0.32 0.64 -1.12 -0.00 0.00 0.00 174.74 174.17 2kdn s SER 11 N 1.51 6.14 0.00 7.38 0.01 -1.26 -4.98 113.70 122.50 2kdn s SER 11 Ca 0.24 0.51 0.10 0.00 1.31 0.00 0.00 55.95 58.11 2kdn s SER 11 Cb -0.15 -1.93 0.33 0.00 0.21 0.00 0.00 66.02 64.48 2kdn s SER 11 CO 0.09 -0.49 1.26 -1.20 0.41 0.00 0.00 173.24 173.31 2kdn n SER 12 N -1.99 1.39 -0.50 2.44 7.64 -1.26 -3.50 113.62 117.83 2kdn n SER 12 Ca -0.02 -1.94 0.03 0.00 1.01 0.00 0.00 58.87 57.95 2kdn n SER 12 Cb 0.56 -0.16 0.10 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.94 0.42 0.19 0.23 0.00 -1.26 -3.89 105.19 101.82 2kdn n GLY 13 Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 1.21 0.51 -2.28 1.61 0.11 -1.99 -3.35 114.38 110.20 2kdn h ARG 14 Ca 0.00 -0.39 -0.60 0.00 0.10 0.00 0.00 59.98 59.09 2kdn h ARG 14 Cb 0.42 0.07 -0.42 0.00 1.11 0.00 0.00 29.97 31.16 2kdn h ARG 14 CO 0.03 1.01 -0.59 -0.85 0.10 0.00 0.00 179.97 179.67 2kdn n GLU 15 N -3.89 3.20 -0.06 0.08 0.28 -1.25 -4.74 120.64 114.25 2kdn n GLU 15 Ca -0.04 -4.84 0.11 0.00 -0.16 0.00 0.00 57.16 52.23 2kdn n GLU 15 Cb 0.68 -2.25 0.41 0.00 1.43 0.00 0.00 31.44 31.71 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 -0.08 1.51 0.09 -1.84 0.23 -1.26 -4.12 115.26 109.79 2kdn n ASN 16 Ca 0.31 -1.66 -0.07 0.00 -0.53 0.00 0.00 54.58 52.64 2kdn n ASN 16 Cb 0.39 -0.08 0.03 0.00 -2.08 0.00 0.00 39.78 38.04 2kdn n ASN 16 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2kdn h LEU 17 N 2.04 0.21 -8.05 -4.53 3.38 -1.93 -3.40 115.31 103.03 2kdn h LEU 17 Ca 0.00 -0.16 -0.62 0.00 0.09 0.00 0.00 57.88 57.19 2kdn h LEU 17 Cb 0.45 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 2kdn h LEU 17 CO 0.00 0.92 1.55 -0.31 0.09 0.00 0.00 178.44 180.70 2kdn s TYR 18 N -3.33 2.63 -0.81 1.13 2.02 -1.26 -4.74 117.35 113.00 2kdn s TYR 18 Ca -0.03 -1.03 0.26 0.00 -0.37 0.00 0.00 57.07 55.90 2kdn s TYR 18 Cb 0.11 -4.67 0.75 0.00 -0.40 0.00 0.00 41.96 37.75 2kdn s TYR 18 CO 0.81 -1.87 1.65 1.97 -1.57 0.00 0.00 175.55 176.54 2kdn n PHE 19 N 8.57 0.48 -0.84 2.71 -1.74 -1.26 -3.42 117.46 121.96 2kdn n PHE 19 Ca 0.35 0.14 0.01 0.00 -0.56 0.00 0.00 57.45 57.39 2kdn n PHE 19 Cb 0.50 -0.67 0.02 0.00 1.52 0.00 0.00 39.48 40.85 2kdn n PHE 19 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2kdn n GLN 20 N -1.93 1.12 -0.09 3.97 0.00 -1.26 -4.79 117.38 114.39 2kdn n GLN 20 Ca 0.05 -1.15 -0.23 0.00 0.00 0.00 0.00 57.00 55.67 2kdn n GLN 20 Cb 0.40 -0.78 -0.12 0.00 0.00 0.00 0.00 30.24 29.74 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 -0.34 -0.63 0.22 2.61 0.00 -1.22 -4.66 105.19 101.17 2kdn n GLY 21 Ca 0.02 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2kdn n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kdn n HIS 22 N -4.06 0.00 -4.40 1.61 -0.00 -1.26 -5.05 115.22 102.07 2kdn n HIS 22 Ca -0.39 -0.47 -0.25 0.00 0.46 0.00 0.00 57.72 57.06 2kdn n HIS 22 Cb 0.85 -0.09 -0.10 0.00 -0.12 0.00 0.00 29.99 30.53 2kdn n HIS 22 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2kdn s MET 23 N -1.31 1.79 -0.28 1.57 -1.94 -1.26 -5.06 119.30 112.82 2kdn s MET 23 Ca 0.13 -1.55 -0.28 0.00 -1.71 0.00 0.00 55.69 52.29 2kdn s MET 23 Cb 0.12 -1.93 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 2kdn s MET 23 CO 0.01 0.38 2.23 0.00 -0.01 0.00 0.00 175.02 177.63 2kdn h ILE 25 N 7.24 0.98 -0.65 0.00 6.09 -1.95 -1.13 117.51 128.08 2kdn h ILE 25 Ca -0.37 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 2kdn h ILE 25 Cb 1.24 0.97 -0.03 0.00 0.47 0.00 0.00 36.82 39.46 2kdn h ILE 25 CO 1.00 0.00 0.42 -0.61 -3.07 0.00 0.00 178.15 175.89 2kdn h GLN 26 N 0.01 0.87 -0.37 2.19 4.15 -1.99 -2.13 115.11 117.84 2kdn h GLN 26 Ca 0.03 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.28 2kdn h GLN 26 Cb 0.10 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2kdn h GLN 26 CO -0.00 0.59 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.06 2kdn h LYS 27 N 0.88 0.72 0.10 1.69 1.63 -1.61 -0.38 116.57 119.60 2kdn h LYS 27 Ca 0.24 -0.28 0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2kdn h LYS 27 Cb -0.08 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2kdn h LYS 27 CO -0.05 0.87 -0.13 0.28 -3.45 0.00 0.00 179.45 176.97 2kdn h VAL 28 N 0.63 0.70 -0.19 2.00 2.07 -1.02 0.13 116.25 120.56 2kdn h VAL 28 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2kdn h VAL 28 Cb 0.70 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2kdn h VAL 28 CO 0.05 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.10 2kdn h ILE 29 N -0.27 1.20 -0.11 4.57 5.03 -1.32 -2.32 117.51 124.28 2kdn h ILE 29 Ca 0.01 -0.63 0.04 0.00 -0.12 0.00 0.00 64.86 64.16 2kdn h ILE 29 Cb 0.28 1.25 -0.04 0.00 -3.03 0.00 0.00 36.82 35.27 2kdn h ILE 29 CO -0.06 0.20 -0.16 -0.08 -0.68 0.00 0.00 178.15 177.37 2kdn h GLU 30 N 0.13 -0.20 -0.07 2.37 4.22 -0.86 -1.68 114.58 118.50 2kdn h GLU 30 Ca 0.06 0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 2kdn h GLU 30 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kdn h GLU 30 CO -0.00 -0.13 -0.27 0.22 -2.18 0.00 0.00 179.01 176.65 2kdn h ASP 31 N -0.21 0.12 0.28 1.04 3.58 -0.72 0.28 116.42 120.79 2kdn h ASP 31 Ca 0.09 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2kdn h ASP 31 Cb 0.33 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2kdn h ASP 31 CO -0.23 0.39 -0.14 0.50 -2.88 0.00 0.00 179.24 176.89 2kdn h LYS 32 N 0.11 -0.37 0.00 0.28 1.63 -0.82 -2.19 116.57 115.22 2kdn h LYS 32 Ca 0.02 0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 2kdn h LYS 32 Cb 0.54 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 2kdn h LYS 32 CO 0.04 -0.02 -0.36 1.37 -3.45 0.00 0.00 179.45 177.02 2kdn h LEU 33 N -0.89 0.00 -0.45 5.20 8.10 -1.27 -2.33 115.31 123.68 2kdn h LEU 33 Ca -0.04 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.87 2kdn h LEU 33 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.72 2kdn h LEU 33 CO 0.06 0.36 -0.05 -1.28 -4.11 0.00 0.00 178.44 173.43 2kdn h SER 34 N 0.00 0.82 0.75 0.17 0.87 -0.97 0.11 113.55 115.31 2kdn h SER 34 Ca -0.00 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 2kdn h SER 34 Cb 0.85 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2kdn h SER 34 CO 0.05 0.96 -0.41 0.28 -0.53 0.00 0.00 176.83 177.18 2kdn h SER 35 N 0.67 0.00 0.00 6.23 0.02 -1.17 0.92 113.55 120.21 2kdn h SER 35 Ca 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2kdn h SER 35 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2kdn h SER 35 CO 0.03 0.41 -0.09 0.00 -1.14 0.00 0.00 176.83 176.04 2kdn h ALA 36 N 1.59 0.02 0.17 3.77 0.00 -1.14 -3.39 119.26 120.28 2kdn h ALA 36 Ca -0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.17 2kdn h ALA 36 Cb 0.89 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2kdn h ALA 36 CO 0.05 0.05 -1.42 -0.07 0.00 0.00 0.00 179.25 177.87 2kdn h LEU 37 N -1.00 0.56 -2.42 0.00 3.38 -0.85 -3.50 115.31 111.48 2kdn h LEU 37 Ca -0.02 -0.91 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 2kdn h LEU 37 Cb 0.81 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2kdn h LEU 37 CO -0.01 1.65 -0.77 0.29 0.09 0.00 0.00 178.44 179.69 2kdn n LYS 38 N -3.83 -2.60 -3.44 1.13 5.02 0.32 -4.76 118.16 110.00 2kdn n LYS 38 Ca -0.21 2.21 -0.31 0.00 -2.02 0.00 0.00 58.31 57.98 2kdn n LYS 38 Cb 0.98 -4.97 -0.05 0.00 -0.02 0.00 0.00 35.03 30.97 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 -2.17 3.71 0.26 1.97 0.04 -1.26 -4.67 135.00 132.88 2kdn s PRO 39 Ca 0.16 0.12 0.13 0.00 0.04 0.00 0.00 61.00 61.45 2kdn s PRO 39 Cb -0.04 -2.69 0.19 0.00 0.04 0.00 0.00 34.50 32.01 2kdn s PRO 39 CO 0.74 0.31 1.50 1.79 0.04 0.00 0.00 177.00 181.38 2kdn h THR 40 N 1.81 1.17 -3.44 1.26 1.35 -1.06 -3.44 112.91 110.56 2kdn h THR 40 Ca -0.47 -2.34 -0.26 0.00 -0.55 0.00 0.00 66.41 62.80 2kdn h THR 40 Cb 1.17 2.37 -0.31 0.00 -1.73 0.00 0.00 68.15 69.65 2kdn h THR 40 CO 0.69 0.60 -0.66 0.12 -0.25 0.00 0.00 175.52 176.02 2kdn s PHE 41 N -3.15 -0.07 -0.07 4.73 5.36 0.04 -5.04 117.98 119.80 2kdn s PHE 41 Ca 0.01 0.27 -0.03 0.00 -0.96 0.00 0.00 56.93 56.23 2kdn s PHE 41 Cb 0.10 -0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.70 2kdn s PHE 41 CO 0.75 -0.10 0.13 -1.17 -1.46 0.00 0.00 175.22 173.36 2kdn s LEU 42 N 0.85 0.11 -0.19 6.12 2.96 -1.26 -0.41 118.68 126.86 2kdn s LEU 42 Ca -0.07 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.10 2kdn s LEU 42 Cb -0.09 0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.80 2kdn s LEU 42 CO -0.03 -0.23 -0.11 -0.70 -1.32 0.00 0.00 176.35 173.95 2kdn s GLU 43 N 2.10 2.08 -0.34 1.98 2.12 -0.46 -5.00 118.70 121.18 2kdn s GLU 43 Ca 0.02 -0.78 -0.24 0.00 0.36 0.00 0.00 54.97 54.33 2kdn s GLU 43 Cb -0.12 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 31.94 2kdn s GLU 43 CO -0.05 -0.38 0.83 -0.51 -0.54 0.00 0.00 175.26 174.61 2kdn s LEU 44 N 1.42 4.07 -0.32 2.70 2.01 -1.26 -0.63 118.68 126.67 2kdn s LEU 44 Ca 0.00 0.56 -0.09 0.00 0.01 0.00 0.00 54.13 54.61 2kdn s LEU 44 Cb -0.15 -3.13 0.01 0.00 0.01 0.00 0.00 46.19 42.93 2kdn s LEU 44 CO -0.09 -0.73 0.14 -0.69 1.01 0.00 0.00 176.35 175.99 2kdn s VAL 45 N 3.16 4.31 -0.49 -1.59 1.01 0.42 -4.99 120.40 122.24 2kdn s VAL 45 Ca 0.34 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 2kdn s VAL 45 Cb -0.13 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.97 2kdn s VAL 45 CO 0.16 -0.02 1.60 -0.62 0.00 0.00 0.00 175.10 176.21 2kdn s ASP 46 N 1.54 5.93 -0.33 3.32 2.15 -1.26 -1.88 116.67 126.14 2kdn s ASP 46 Ca 0.03 0.64 -0.01 0.00 0.43 0.00 0.00 52.55 53.64 2kdn s ASP 46 Cb -0.18 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.01 2kdn s ASP 46 CO 0.05 -1.80 0.13 -0.54 -0.17 0.00 0.00 175.17 172.83 2kdn s LYS 47 N 5.76 0.71 -0.26 4.34 1.02 -1.22 -5.02 119.74 125.08 2kdn s LYS 47 Ca 0.64 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.20 2kdn s LYS 47 Cb -0.14 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2kdn s LYS 47 CO 0.28 -1.03 1.97 0.45 -0.92 0.00 0.00 175.35 176.10 2kdn s SER 48 N 1.48 5.76 0.05 2.83 0.15 -1.26 -4.56 113.70 118.16 2kdn s SER 48 Ca 0.11 1.63 0.27 0.00 0.70 0.00 0.00 55.95 58.66 2kdn s SER 48 Cb -0.18 -2.52 1.10 0.00 -1.71 0.00 0.00 66.02 62.71 2kdn s SER 48 CO -0.22 -1.76 1.86 0.00 1.20 0.00 0.00 173.24 174.33 2kdn n GLY 50 N 1.34 0.87 0.17 0.00 0.00 -1.26 -4.96 105.19 101.34 2kdn n GLY 50 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 0.18 3.19 2.52 0.00 0.00 -1.26 -4.96 105.19 104.86 2kdn n GLY 52 Ca -0.02 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 2kdn n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kdn n THR 53 N 0.00 4.19 -3.73 2.61 -2.24 -1.26 -4.70 114.28 109.14 2kdn n THR 53 Ca 0.00 -3.15 -0.24 0.00 -2.27 0.00 0.00 64.05 58.39 2kdn n THR 53 Cb 0.00 -2.51 -0.17 0.00 -2.10 0.00 0.00 70.33 65.54 2kdn n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2kdn s SER 54 N 2.09 1.82 -0.03 3.42 1.04 -1.26 -1.96 113.70 118.83 2kdn s SER 54 Ca 0.57 -0.24 0.05 0.00 0.48 0.00 0.00 55.95 56.82 2kdn s SER 54 Cb 0.16 -0.40 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 2kdn s SER 54 CO -0.07 -0.24 -0.19 -0.36 0.98 0.00 0.00 173.24 173.37 2kdn s PHE 55 N 2.00 1.79 -0.19 5.02 0.08 -0.99 -3.45 117.98 122.24 2kdn s PHE 55 Ca 0.04 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2kdn s PHE 55 Cb -0.13 -1.18 -0.00 0.00 -0.57 0.00 0.00 43.02 41.14 2kdn s PHE 55 CO -0.06 -0.10 -0.11 0.34 -0.10 0.00 0.00 175.22 175.20 2kdn s ASP 56 N -0.23 3.90 -0.29 1.36 2.15 -0.79 -0.52 116.67 122.25 2kdn s ASP 56 Ca 0.02 -0.45 -0.07 0.00 0.43 0.00 0.00 52.55 52.47 2kdn s ASP 56 Cb -0.10 -1.64 -0.00 0.00 -0.30 0.00 0.00 42.92 40.88 2kdn s ASP 56 CO 0.01 0.02 0.09 0.00 -0.17 0.00 0.00 175.17 175.12 2kdn s ALA 57 N 1.20 3.12 -0.43 3.66 0.00 0.12 -0.44 121.76 129.00 2kdn s ALA 57 Ca 0.02 -1.38 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 2kdn s ALA 57 Cb -0.14 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.82 2kdn s ALA 57 CO -0.04 -0.84 0.99 0.08 0.00 0.00 0.00 175.76 175.95 2kdn s VAL 58 N 1.55 4.44 -0.27 0.00 1.01 0.20 -0.42 120.40 126.91 2kdn s VAL 58 Ca 0.04 1.06 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 2kdn s VAL 58 Cb -0.17 -4.44 0.02 0.00 0.00 0.00 0.00 36.38 31.79 2kdn s VAL 58 CO 0.03 -0.76 0.00 -0.51 0.00 0.00 0.00 175.10 173.86 2kdn s ILE 59 N 3.83 3.39 -0.33 2.22 -1.16 0.44 -1.36 121.20 128.24 2kdn s ILE 59 Ca 0.40 -0.86 -0.02 0.00 -0.51 0.00 0.00 60.65 59.66 2kdn s ILE 59 Cb -0.10 -2.73 0.07 0.00 0.61 0.00 0.00 42.46 40.30 2kdn s ILE 59 CO 0.25 0.15 0.06 -0.69 -2.81 0.00 0.00 174.94 171.89 2kdn s VAL 60 N 1.41 3.04 0.02 4.00 1.01 0.45 -0.66 120.40 129.67 2kdn s VAL 60 Ca 0.01 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.29 2kdn s VAL 60 Cb -0.17 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2kdn s VAL 60 CO -0.01 -0.29 0.20 -0.55 0.00 0.00 0.00 175.10 174.45 2kdn s SER 61 N 1.38 -0.00 0.54 3.32 0.15 -0.96 -0.36 113.70 117.77 2kdn s SER 61 Ca -0.01 -0.26 0.32 0.00 0.70 0.00 0.00 55.95 56.70 2kdn s SER 61 Cb -0.20 0.27 1.49 0.00 -1.71 0.00 0.00 66.02 65.87 2kdn s SER 61 CO -0.02 -0.50 2.05 0.78 1.20 0.00 0.00 173.24 176.74 2kdn h ASN 62 N 3.70 0.00 0.44 5.45 -0.26 -1.90 -2.51 115.58 120.51 2kdn h ASN 62 Ca -0.31 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.40 2kdn h ASN 62 Cb 1.19 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.45 2kdn h ASN 62 CO 0.45 0.07 -0.11 -1.13 -1.06 0.00 0.00 177.43 175.65 2kdn h ASN 63 N 0.00 0.00 -0.02 5.81 -1.24 -1.85 -1.23 115.58 117.05 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 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2kdn h ASN 63 CO 0.01 0.11 -0.25 0.33 -1.29 0.00 0.00 177.43 176.34 2kdn n PHE 64 N -3.54 0.00 0.08 0.67 7.35 -0.96 -4.42 117.46 116.64 2kdn n PHE 64 Ca -0.02 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.61 2kdn n PHE 64 Cb 0.25 0.00 0.09 0.00 0.35 0.00 0.00 39.48 40.17 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 2.82 0.27 0.00 -4.13 4.57 -1.03 -0.98 114.58 116.10 2kdn h GLU 65 Ca 0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2kdn h GLU 65 Cb 0.72 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 2kdn h GLU 65 CO 0.00 0.82 0.00 -3.47 -1.18 0.00 0.00 179.01 175.18 2kdn n ASP 66 N -3.85 0.56 -3.03 1.04 2.03 -1.24 -4.85 116.55 107.20 2kdn n ASP 66 Ca -0.03 0.71 -0.14 0.00 0.52 0.00 0.00 54.79 55.85 2kdn n ASP 66 Cb 0.65 -0.80 0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.20 -5.52 -2.91 -0.67 5.02 -0.37 -4.95 118.16 106.56 2kdn n LYS 67 Ca -0.00 0.71 -0.44 0.00 -2.02 0.00 0.00 58.31 56.57 2kdn n LYS 67 Cb 0.10 -5.32 -0.03 0.00 -0.02 0.00 0.00 35.03 29.76 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 -5.13 3.29 0.05 1.97 -0.14 -1.26 -4.93 119.74 113.59 2kdn s LYS 68 Ca 0.00 -1.25 -0.21 0.00 -1.36 0.00 0.00 55.97 53.15 2kdn s LYS 68 Cb -0.00 -4.51 -0.10 0.00 -1.68 0.00 0.00 37.83 31.54 2kdn s LYS 68 CO 0.61 -1.77 1.32 1.25 -0.76 0.00 0.00 175.35 176.00 2kdn h LEU 69 N 10.84 -0.78 -1.33 3.17 5.85 -1.97 -1.21 115.31 129.88 2kdn h LEU 69 Ca -0.11 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2kdn h LEU 69 Cb 1.05 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 2kdn h LEU 69 CO 1.15 -0.40 -0.26 0.17 -0.34 0.00 0.00 178.44 178.75 2kdn h LEU 70 N -0.61 0.11 -0.32 2.25 -0.00 -1.99 -2.49 115.31 112.25 2kdn h LEU 70 Ca -0.04 -0.03 -0.20 0.00 -0.00 0.00 0.00 57.88 57.61 2kdn h LEU 70 Cb 0.52 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2kdn h LEU 70 CO -0.01 0.38 -0.76 0.44 -0.00 0.00 0.00 178.44 178.49 2kdn h ASP 71 N 0.10 0.61 0.24 0.17 3.32 -1.95 -0.45 116.42 118.46 2kdn h ASP 71 Ca 0.02 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.54 2kdn h ASP 71 Cb 0.52 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2kdn h ASP 71 CO 0.04 1.17 -0.47 0.08 -1.72 0.00 0.00 179.24 178.34 2kdn h ARG 72 N 0.35 0.28 -0.05 3.56 0.11 -1.05 -0.81 114.38 116.77 2kdn h ARG 72 Ca -0.04 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 59.89 2kdn h ARG 72 Cb 1.35 0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.43 2kdn h ARG 72 CO 0.14 0.69 0.01 1.25 0.10 0.00 0.00 179.97 182.16 2kdn h HIS 73 N 0.22 0.08 -0.38 4.08 2.76 -1.13 -1.48 115.15 119.31 2kdn h HIS 73 Ca 0.01 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 2kdn h HIS 73 Cb 0.91 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 2kdn h HIS 73 CO 0.02 0.28 -0.34 0.07 -1.30 0.00 0.00 177.93 176.66 2kdn h ARG 74 N -0.15 0.91 -0.19 5.26 0.11 -1.05 -2.54 114.38 116.72 2kdn h ARG 74 Ca 0.01 -0.47 -0.02 0.00 0.10 0.00 0.00 59.98 59.61 2kdn h ARG 74 Cb 0.25 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2kdn h ARG 74 CO 0.00 1.12 0.04 1.25 0.10 0.00 0.00 179.97 182.48 2kdn h LEU 75 N 0.72 0.30 -0.28 0.08 5.85 -1.13 -1.22 115.31 119.64 2kdn h LEU 75 Ca 0.07 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2kdn h LEU 75 Cb 0.93 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 2kdn h LEU 75 CO 0.09 0.47 0.08 0.58 -0.34 0.00 0.00 178.44 179.32 2kdn h VAL 76 N 0.12 0.90 -0.33 1.05 2.07 -1.30 -2.10 116.25 116.66 2kdn h VAL 76 Ca 0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2kdn h VAL 76 Cb 0.30 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2kdn h VAL 76 CO 0.00 0.04 0.16 0.78 0.02 0.00 0.00 177.57 178.57 2kdn h ASN 77 N 0.20 0.41 0.51 0.57 2.35 -1.28 0.13 115.58 118.47 2kdn h ASN 77 Ca 0.13 -0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 2kdn h ASN 77 Cb 0.11 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.38 2kdn h ASN 77 CO -0.14 0.36 -0.25 0.74 -1.65 0.00 0.00 177.43 176.49 2kdn h THR 78 N 0.46 0.44 0.02 2.81 2.02 -0.53 -0.76 112.91 117.37 2kdn h THR 78 Ca 0.12 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 2kdn h THR 78 Cb 0.06 0.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2kdn h THR 78 CO -0.02 0.04 -0.36 0.40 0.37 0.00 0.00 175.52 175.96 2kdn h ILE 79 N -0.87 1.55 0.00 3.11 5.03 -1.40 -3.26 117.51 121.66 2kdn h ILE 79 Ca -0.07 -2.09 0.00 0.00 -0.12 0.00 0.00 64.86 62.58 2kdn h ILE 79 Cb 0.60 2.86 0.00 0.00 -3.03 0.00 0.00 36.82 37.25 2kdn h ILE 79 CO 0.12 0.58 0.00 0.18 -0.68 0.00 0.00 178.15 178.34 2kdn n LEU 80 N -4.42 0.00 0.06 1.44 4.32 0.45 -2.51 117.00 116.33 2kdn n LEU 80 Ca -0.10 0.18 -0.10 0.00 -0.02 0.00 0.00 56.01 55.96 2kdn n LEU 80 Cb 0.57 -0.18 -0.06 0.00 -1.62 0.00 0.00 43.42 42.13 2kdn n LEU 80 CO 0.41 -0.06 0.51 0.50 -1.22 0.00 0.00 177.39 177.53 2kdn h LYS 81 N 0.00 -0.44 -0.03 3.23 1.63 -1.17 0.14 116.57 119.92 2kdn h LYS 81 Ca 0.00 0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.61 2kdn h LYS 81 Cb 0.12 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2kdn h LYS 81 CO 0.00 -0.30 -0.89 1.49 -3.45 0.00 0.00 179.45 176.31 2kdn h GLU 82 N -0.46 0.48 -0.55 1.90 4.57 -1.77 -3.32 114.58 115.43 2kdn h GLU 82 Ca 0.00 -0.47 0.05 0.00 -1.18 0.00 0.00 59.36 57.76 2kdn h GLU 82 Cb 0.47 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.14 2kdn h GLU 82 CO -0.20 1.11 0.29 1.49 -1.18 0.00 0.00 179.01 180.52 2kdn h GLU 83 N 0.29 0.53 -0.37 1.92 4.81 -1.40 -2.21 114.58 118.15 2kdn h GLU 83 Ca -0.07 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.22 2kdn h GLU 83 Cb 1.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 2kdn h GLU 83 CO 0.16 0.35 0.26 -0.07 -0.73 0.00 0.00 179.01 178.98 2kdn h LEU 84 N 0.55 0.08 -2.13 1.64 3.38 -0.81 -2.39 115.31 115.63 2kdn h LEU 84 Ca 0.24 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.28 2kdn h LEU 84 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kdn h LEU 84 CO -0.16 0.05 0.30 1.56 0.09 0.00 0.00 178.44 180.28 2kdn h GLN 85 N 0.09 0.00 -0.01 1.13 1.08 -1.55 0.23 115.11 116.08 2kdn h GLN 85 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2kdn h GLN 85 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2kdn h GLN 85 CO -0.02 0.00 -0.27 0.09 -0.95 0.00 0.00 178.83 177.68 2kdn n ASN 86 N -3.60 1.17 -4.19 1.46 3.02 -0.90 -4.85 115.26 107.37 2kdn n ASN 86 Ca 0.03 -0.99 -0.27 0.00 -0.03 0.00 0.00 54.58 53.32 2kdn n ASN 86 Cb 0.43 0.17 -0.16 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.48 1.61 -0.06 2.41 1.01 0.80 -5.03 121.20 119.47 2kdn s ILE 87 Ca 0.24 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.80 2kdn s ILE 87 Cb 0.19 -1.36 -0.24 0.00 0.01 0.00 0.00 42.46 41.07 2kdn s ILE 87 CO 0.52 0.46 1.02 -0.74 0.00 0.00 0.00 174.94 176.19 2kdn h HIS 88 N 5.91 0.24 -2.61 3.97 -0.00 -1.66 -3.43 115.15 117.57 2kdn h HIS 88 Ca -0.36 -0.13 -0.51 0.00 -0.00 0.00 0.00 60.37 59.37 2kdn h HIS 88 Cb 1.16 -0.03 -0.38 0.00 -0.00 0.00 0.00 27.41 28.16 2kdn h HIS 88 CO 0.41 0.94 -0.78 0.00 -0.00 0.00 0.00 177.93 178.50 2kdn s ALA 89 N -3.09 0.53 0.09 5.26 0.00 -0.83 -5.03 121.76 118.69 2kdn s ALA 89 Ca -0.16 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 2kdn s ALA 89 Cb 0.01 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 2kdn s ALA 89 CO 0.74 -1.81 0.45 0.12 0.00 0.00 0.00 175.76 175.26 2kdn s PHE 90 N 1.80 3.60 0.13 0.00 5.36 -1.26 -2.36 117.98 125.26 2kdn s PHE 90 Ca 0.12 0.90 0.02 0.00 -0.96 0.00 0.00 56.93 57.00 2kdn s PHE 90 Cb -0.18 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 2kdn s PHE 90 CO -0.24 0.50 -0.03 -1.12 -1.46 0.00 0.00 175.22 172.87 2kdn s SER 91 N -1.69 1.14 -0.01 6.13 0.01 0.32 -4.95 113.70 114.66 2kdn s SER 91 Ca 0.34 -1.09 -0.08 0.00 1.31 0.00 0.00 55.95 56.44 2kdn s SER 91 Cb -0.15 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2kdn s SER 91 CO 0.18 -0.52 0.15 0.00 0.41 0.00 0.00 173.24 173.46 2kdn s MET 92 N -3.88 0.46 -0.24 12.44 0.23 -1.26 -0.70 119.30 126.35 2kdn s MET 92 Ca 0.18 -0.32 0.01 0.00 -1.03 0.00 0.00 55.69 54.52 2kdn s MET 92 Cb 0.06 0.19 0.06 0.00 -1.53 0.00 0.00 34.83 33.61 2kdn s MET 92 CO -0.01 -0.11 -0.04 0.15 -2.03 0.00 0.00 175.02 172.98 2kdn s LYS 93 N -1.23 1.61 -0.20 3.16 -0.14 0.44 -4.88 119.74 118.51 2kdn s LYS 93 Ca -0.13 -1.06 -0.16 0.00 -1.36 0.00 0.00 55.97 53.26 2kdn s LYS 93 Cb -0.07 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.43 2kdn s LYS 93 CO 0.02 -0.63 0.43 0.00 -0.76 0.00 0.00 175.35 174.40 2kdn s HIS 95 N 1.43 0.85 0.33 0.00 3.76 0.16 -4.98 115.29 116.83 2kdn s HIS 95 Ca 0.20 -1.12 0.09 0.00 -0.15 0.00 0.00 55.06 54.09 2kdn s HIS 95 Cb -0.15 -0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.41 2kdn s HIS 95 CO 0.08 -1.01 -0.01 0.95 -0.85 0.00 0.00 174.74 173.91 2kdn s THR 96 N -3.57 2.63 0.66 1.30 -4.23 -1.26 -2.27 115.64 108.90 2kdn s THR 96 Ca 0.29 -2.01 0.38 0.00 -1.18 0.00 0.00 61.69 59.17 2kdn s THR 96 Cb 0.01 -2.76 0.39 0.00 1.34 0.00 0.00 72.50 71.48 2kdn s THR 96 CO 0.15 -0.22 2.21 1.55 -0.54 0.00 0.00 174.62 177.77 2kdn h PRO 97 N 1.86 0.00 0.10 3.99 0.13 -1.86 -1.95 132.00 134.28 2kdn h PRO 97 Ca -0.43 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2kdn h PRO 97 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kdn h PRO 97 CO 0.66 0.00 -0.05 -0.07 -0.23 0.00 0.00 178.00 178.31 2kdn h LEU 98 N 0.00 -0.12 -0.34 1.56 -0.00 -1.97 0.63 115.31 115.08 2kdn h LEU 98 Ca 0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2kdn h LEU 98 Cb 0.25 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 2kdn h LEU 98 CO -0.00 0.03 0.19 -0.33 -0.00 0.00 0.00 178.44 178.33 2kdn h GLU 99 N -0.26 0.47 -0.42 1.13 3.07 -1.77 -1.74 114.58 115.05 2kdn h GLU 99 Ca -0.01 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 2kdn h GLU 99 Cb 0.21 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2kdn h GLU 99 CO 0.02 0.39 -0.07 -0.92 -1.40 0.00 0.00 179.01 177.03 2kdn h TYR 100 N 0.42 0.88 -0.21 4.33 3.20 -1.36 -2.36 116.97 121.87 2kdn h TYR 100 Ca 0.12 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 2kdn h TYR 100 Cb 0.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 2kdn h TYR 100 CO -0.03 0.89 -0.13 0.22 -1.64 0.00 0.00 178.16 177.48 2kdn h ASP 101 N 0.62 0.33 1.37 -2.11 3.58 0.36 -0.72 116.42 119.84 2kdn h ASP 101 Ca 0.11 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2kdn h ASP 101 Cb 0.59 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kdn h ASP 101 CO 0.04 0.49 -0.02 0.11 -2.88 0.00 0.00 179.24 176.97 2kdn h LYS 102 N 0.33 0.00 -0.01 0.28 6.56 -1.12 0.12 116.57 122.73 2kdn h LYS 102 Ca 0.06 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2kdn h LYS 102 Cb 0.42 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 2kdn h LYS 102 CO 0.02 0.02 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.35 2kdn h LEU 103 N 0.00 0.03 -1.57 2.94 3.38 -0.61 0.20 115.31 119.67 2kdn h LEU 103 Ca -0.00 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 2kdn h LEU 103 Cb 0.71 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2kdn h LEU 103 CO 0.00 0.56 -0.15 0.07 0.09 0.00 0.00 178.44 179.01 2kdn h LYS 104 N -0.50 0.00 0.00 1.13 2.10 -1.34 -1.69 116.57 116.26 2kdn h LYS 104 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kdn h LYS 104 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2kdn h LYS 104 CO 0.00 0.15 0.00 0.45 -2.00 0.00 0.00 179.45 178.05 2kdn n SER 105 N -3.45 0.00 -0.12 7.07 2.88 0.40 -4.81 113.62 115.61 2kdn n SER 105 Ca -0.01 0.35 -0.22 0.00 -1.33 0.00 0.00 58.87 57.67 2kdn n SER 105 Cb 0.32 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.47 2kdn n SER 105 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kdn n LYS 106 N -1.18 0.56 0.00 -1.46 2.85 0.59 -5.03 118.16 114.49 2kdn n LYS 106 Ca 0.00 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 2kdn n LYS 106 Cb 0.00 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 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 1.36 0.71 0.02 2.58 0.00 -0.52 -4.97 105.19 104.37 2kdn n GLY 107 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06