#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 0.27 3.55 3.03 0.00 -1.26 -4.89 105.19 105.88 2kdn n GLY 2 Ca 0.00 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.38 6.44 -0.20 1.61 0.15 -1.26 -4.76 113.70 114.30 2kdn s SER 3 Ca 0.00 -0.03 -0.33 0.00 0.70 0.00 0.00 55.95 56.29 2kdn s SER 3 Cb 0.00 -2.40 -0.10 0.00 -1.71 0.00 0.00 66.02 61.82 2kdn s SER 3 CO 0.00 -0.92 2.07 -1.20 1.20 0.00 0.00 173.24 174.39 2kdn n SER 4 N 6.76 3.01 -3.49 5.45 7.64 -1.26 -4.92 113.62 126.81 2kdn n SER 4 Ca 0.03 0.59 -0.29 0.00 1.01 0.00 0.00 58.87 60.21 2kdn n SER 4 Cb 0.48 -1.39 -0.12 0.00 -1.01 0.00 0.00 64.21 62.17 2kdn n SER 4 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kdn s HIS 5 N 6.26 0.77 -0.50 1.43 4.02 -1.26 -4.99 115.29 121.02 2kdn s HIS 5 Ca 1.00 -1.60 -0.07 0.00 1.02 0.00 0.00 55.06 55.40 2kdn s HIS 5 Cb -0.64 -0.98 0.13 0.00 -1.02 0.00 0.00 32.58 30.07 2kdn s HIS 5 CO 0.46 -0.83 0.35 -1.58 1.02 0.00 0.00 174.74 174.16 2kdn s HIS 6 N 1.12 3.48 -0.63 1.40 2.46 -1.26 -4.71 115.29 117.16 2kdn s HIS 6 Ca 0.17 -2.12 0.05 0.00 0.47 0.00 0.00 55.06 53.63 2kdn s HIS 6 Cb -0.22 -3.42 0.17 0.00 -0.13 0.00 0.00 32.58 28.98 2kdn s HIS 6 CO -0.03 -0.97 0.47 0.72 -2.47 0.00 0.00 174.74 172.47 2kdn n HIS 7 N 4.61 2.22 0.00 3.88 -0.00 -1.26 -4.88 115.22 119.78 2kdn n HIS 7 Ca -0.03 -4.05 0.00 0.00 -0.00 0.00 0.00 57.72 53.63 2kdn n HIS 7 Cb 0.41 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kdn n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kdn n HIS 8 N 2.11 0.00 -2.05 4.41 -0.00 -1.26 -4.90 115.22 113.52 2kdn n HIS 8 Ca 0.23 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.56 2kdn n HIS 8 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2kdn n HIS 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kdn s HIS 9 N 0.00 2.73 0.96 1.57 2.46 -1.26 -5.04 115.29 116.71 2kdn s HIS 9 Ca 0.00 1.44 -0.15 0.00 0.47 0.00 0.00 55.06 56.82 2kdn s HIS 9 Cb 0.00 -3.62 0.22 0.00 -0.13 0.00 0.00 32.58 29.05 2kdn s HIS 9 CO 0.00 -2.09 1.31 0.72 -2.47 0.00 0.00 174.74 172.20 2kdn n HIS 10 N -0.25 -3.84 -0.59 3.88 8.25 -1.26 -4.45 115.22 116.95 2kdn n HIS 10 Ca 0.06 -1.28 0.04 0.00 -0.26 0.00 0.00 57.72 56.28 2kdn n HIS 10 Cb 0.45 -1.00 0.33 0.00 1.12 0.00 0.00 29.99 30.88 2kdn n HIS 10 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kdn n SER 11 N -3.74 4.88 -4.58 0.41 7.64 -1.26 -4.87 113.62 112.09 2kdn n SER 11 Ca 0.17 -2.81 -0.24 0.00 1.01 0.00 0.00 58.87 57.00 2kdn n SER 11 Cb 0.59 -0.66 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 2kdn n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kdn s SER 12 N -0.66 4.24 0.00 6.43 0.01 -1.26 -4.83 113.70 117.64 2kdn s SER 12 Ca 0.45 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.01 2kdn s SER 12 Cb 0.35 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.89 2kdn s SER 12 CO 0.13 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2kdn n GLY 13 N -0.53 0.00 0.04 3.44 0.00 -1.26 -5.05 105.19 101.83 2kdn n GLY 13 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.27 -0.24 1.61 1.74 -1.26 -4.58 116.66 115.20 2kdn n ARG 14 Ca 0.00 0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.14 2kdn n ARG 14 Cb 0.00 -1.19 0.12 0.00 -1.02 0.00 0.00 32.46 30.37 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2kdn n GLU 15 N -2.57 2.06 0.05 5.56 0.00 -1.26 -3.67 120.64 120.80 2kdn n GLU 15 Ca -0.15 -0.96 0.13 0.00 0.00 0.00 0.00 57.16 56.19 2kdn n GLU 15 Cb 0.70 -1.60 0.50 0.00 0.00 0.00 0.00 31.44 31.05 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 0.20 0.41 0.15 -1.84 0.23 -1.26 -3.10 115.26 110.04 2kdn n ASN 16 Ca 0.09 0.51 0.03 0.00 -0.53 0.00 0.00 54.58 54.67 2kdn n ASN 16 Cb 0.46 -0.61 0.18 0.00 -2.08 0.00 0.00 39.78 37.73 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 0.00 0.00-10.16 -4.53 3.38 -1.93 -3.46 115.31 98.61 2kdn h LEU 17 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 2kdn h LEU 17 Cb 0.62 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 2kdn h LEU 17 CO 0.00 0.51 -0.43 -0.31 0.09 0.00 0.00 178.44 178.30 2kdn s TYR 18 N -3.32 1.80 -1.38 1.13 1.51 -1.18 -5.00 117.35 110.92 2kdn s TYR 18 Ca 0.01 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.18 2kdn s TYR 18 Cb 0.10 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 2kdn s TYR 18 CO 0.73 -0.06 0.69 1.97 -1.11 0.00 0.00 175.55 177.76 2kdn n PHE 19 N -1.47 0.00 0.00 2.71 -1.74 -1.26 -4.46 117.46 111.24 2kdn n PHE 19 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.78 2kdn n PHE 19 Cb 0.66 -0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.60 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 -0.19 0.00 -2.94 3.97 1.13 -1.26 -4.85 117.38 113.24 2kdn n GLN 20 Ca 0.00 0.18 -0.19 0.00 -1.94 0.00 0.00 57.00 55.05 2kdn n GLN 20 Cb 0.15 -1.08 0.00 0.00 0.11 0.00 0.00 30.24 29.43 2kdn n GLN 20 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kdn n GLY 21 N -0.67 -0.50 3.57 1.08 0.00 -1.26 -4.83 105.19 102.59 2kdn n GLY 21 Ca 0.00 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2kdn n GLY 21 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kdn s HIS 22 N -2.87 2.54 -0.98 1.61 -3.43 -1.26 -4.81 115.29 106.08 2kdn s HIS 22 Ca 0.23 -0.99 -0.05 0.00 -0.80 0.00 0.00 55.06 53.45 2kdn s HIS 22 Cb -0.11 -4.58 0.07 0.00 -1.43 0.00 0.00 32.58 26.52 2kdn s HIS 22 CO 0.28 -1.73 2.62 -1.33 -2.00 0.00 0.00 174.74 172.57 2kdn n MET 23 N 8.51 3.67 -1.99 -0.38 2.81 -1.26 -4.89 117.12 123.59 2kdn n MET 23 Ca 0.44 -2.88 -0.34 0.00 -1.81 0.00 0.00 57.70 53.11 2kdn n MET 23 Cb 0.47 -2.44 0.03 0.00 -0.71 0.00 0.00 33.22 30.57 2kdn n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kdn h ILE 25 N 0.62 0.72 0.20 0.00 6.09 -1.99 -0.37 117.51 122.79 2kdn h ILE 25 Ca -0.49 -0.04 -0.01 0.00 -1.37 0.00 0.00 64.86 62.96 2kdn h ILE 25 Cb 1.26 0.60 -0.00 0.00 0.47 0.00 0.00 36.82 39.15 2kdn h ILE 25 CO 0.55 0.02 -0.12 -0.61 -3.07 0.00 0.00 178.15 174.92 2kdn h GLN 26 N 0.11 -0.30 0.00 2.19 4.15 -1.98 -2.44 115.11 116.84 2kdn h GLN 26 Ca 0.31 0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.63 2kdn h GLN 26 Cb 1.07 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 2kdn h GLN 26 CO -0.04 -0.20 -0.57 -0.22 -1.93 0.00 0.00 178.83 175.87 2kdn h LYS 27 N -0.31 0.00 -0.14 1.69 3.64 -1.48 -2.01 116.57 117.96 2kdn h LYS 27 Ca -0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2kdn h LYS 27 Cb 0.26 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 2kdn h LYS 27 CO 0.02 0.57 -0.05 0.28 -2.27 0.00 0.00 179.45 178.01 2kdn h VAL 28 N 0.00 0.83 -0.58 2.00 2.07 -0.91 0.88 116.25 120.54 2kdn h VAL 28 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2kdn h VAL 28 Cb 1.04 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2kdn h VAL 28 CO 0.07 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 178.01 2kdn h ILE 29 N -0.02 1.27 0.17 4.57 5.03 -1.35 -1.89 117.51 125.28 2kdn h ILE 29 Ca 0.07 -1.21 -0.00 0.00 -0.12 0.00 0.00 64.86 63.59 2kdn h ILE 29 Cb 0.13 0.88 -0.01 0.00 -3.03 0.00 0.00 36.82 34.79 2kdn h ILE 29 CO -0.15 0.44 -0.12 -0.08 -0.68 0.00 0.00 178.15 177.56 2kdn h GLU 30 N 0.95 -0.28 -0.36 2.37 4.22 -0.83 0.10 114.58 120.75 2kdn h GLU 30 Ca 0.16 0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.51 2kdn h GLU 30 Cb 0.62 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2kdn h GLU 30 CO 0.04 -0.18 -0.20 0.22 -2.18 0.00 0.00 179.01 176.71 2kdn h ASP 31 N -0.29 0.69 0.20 1.04 1.82 -0.87 -1.71 116.42 117.31 2kdn h ASP 31 Ca -0.01 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 2kdn h ASP 31 Cb 0.25 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2kdn h ASP 31 CO 0.01 0.88 -0.10 0.50 -1.61 0.00 0.00 179.24 178.92 2kdn h LYS 32 N 0.61 -0.26 0.00 0.28 3.64 -0.92 -0.74 116.57 119.17 2kdn h LYS 32 Ca 0.09 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 2kdn h LYS 32 Cb 0.67 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2kdn h LYS 32 CO 0.05 -0.01 -0.49 1.37 -2.27 0.00 0.00 179.45 178.10 2kdn h LEU 33 N -0.50 0.00 -0.37 5.20 8.10 -1.01 -2.94 115.31 123.79 2kdn h LEU 33 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.94 2kdn h LEU 33 Cb 0.38 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2kdn h LEU 33 CO 0.05 0.49 0.13 -1.28 -4.11 0.00 0.00 178.44 173.71 2kdn h SER 34 N 0.00 0.53 0.14 0.17 0.87 -1.13 0.14 113.55 114.27 2kdn h SER 34 Ca -0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 2kdn h SER 34 Cb 0.95 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 2kdn h SER 34 CO 0.06 0.58 -0.08 0.28 -0.53 0.00 0.00 176.83 177.14 2kdn h SER 35 N 0.45 0.00 0.00 6.23 0.02 -0.96 0.10 113.55 119.39 2kdn h SER 35 Ca 0.12 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 2kdn h SER 35 Cb 0.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2kdn h SER 35 CO -0.01 0.08 -1.22 0.00 -1.14 0.00 0.00 176.83 174.54 2kdn n ALA 36 N -2.41 0.77 0.12 3.77 0.00 -1.03 -4.52 120.51 117.21 2kdn n ALA 36 Ca -0.03 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 2kdn n ALA 36 Cb 0.17 -0.16 0.15 0.00 0.00 0.00 0.00 19.45 19.60 2kdn n ALA 36 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kdn h LEU 37 N -1.00 0.08 -2.42 0.00 3.38 -0.76 -3.48 115.31 111.11 2kdn h LEU 37 Ca -0.25 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2kdn h LEU 37 Cb 1.07 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 41.83 2kdn h LEU 37 CO -0.15 0.69 -0.16 0.29 0.09 0.00 0.00 178.44 179.20 2kdn n LYS 38 N -3.81 -1.42 -3.21 1.13 5.02 0.02 -4.68 118.16 111.22 2kdn n LYS 38 Ca -0.02 1.32 -0.39 0.00 -2.02 0.00 0.00 58.31 57.21 2kdn n LYS 38 Cb 0.63 -5.54 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 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 -3.25 4.29 0.50 1.97 0.04 -1.26 -4.43 135.00 132.86 2kdn s PRO 39 Ca 0.08 0.55 0.23 0.00 0.04 0.00 0.00 61.00 61.91 2kdn s PRO 39 Cb -0.01 -3.50 1.31 0.00 0.04 0.00 0.00 34.50 32.34 2kdn s PRO 39 CO 0.71 -0.03 2.04 1.79 0.04 0.00 0.00 177.00 181.55 2kdn h THR 40 N 4.94 0.74 -3.58 1.26 1.35 -1.00 -3.38 112.91 113.24 2kdn h THR 40 Ca -0.37 -0.58 -0.21 0.00 -0.55 0.00 0.00 66.41 64.70 2kdn h THR 40 Cb 1.17 1.35 -0.27 0.00 -1.73 0.00 0.00 68.15 68.66 2kdn h THR 40 CO 0.76 0.14 -0.64 0.12 -0.25 0.00 0.00 175.52 175.64 2kdn s PHE 41 N -4.32 -0.06 -0.20 4.73 5.36 -1.00 -4.69 117.98 117.81 2kdn s PHE 41 Ca -0.03 0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.05 2kdn s PHE 41 Cb 0.14 0.02 0.08 0.00 -0.34 0.00 0.00 43.02 42.92 2kdn s PHE 41 CO 0.62 -0.04 0.15 -1.17 -1.46 0.00 0.00 175.22 173.32 2kdn s LEU 42 N 0.00 0.17 -0.11 6.12 1.98 -1.26 -1.20 118.68 124.38 2kdn s LEU 42 Ca -0.00 -0.53 -0.07 0.00 -2.89 0.00 0.00 54.13 50.64 2kdn s LEU 42 Cb -0.01 0.00 -0.04 0.00 0.66 0.00 0.00 46.19 46.81 2kdn s LEU 42 CO 0.00 -0.35 0.14 -0.70 -1.89 0.00 0.00 176.35 173.55 2kdn s GLU 43 N 2.21 3.43 -0.24 1.98 2.12 -0.25 -2.93 118.70 125.03 2kdn s GLU 43 Ca 0.05 -0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.17 2kdn s GLU 43 Cb -0.16 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 2kdn s GLU 43 CO -0.13 0.77 0.04 -0.51 -0.54 0.00 0.00 175.26 174.89 2kdn s LEU 44 N -1.08 3.32 -0.19 2.70 2.01 -1.26 -0.46 118.68 123.72 2kdn s LEU 44 Ca 0.16 -0.24 -0.04 0.00 0.01 0.00 0.00 54.13 54.02 2kdn s LEU 44 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 46.19 44.18 2kdn s LEU 44 CO 0.05 -0.02 -0.03 -0.69 1.01 0.00 0.00 176.35 176.66 2kdn s VAL 45 N 1.54 3.74 -0.26 -1.59 1.01 0.49 -5.01 120.40 120.31 2kdn s VAL 45 Ca 0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 2kdn s VAL 45 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 2kdn s VAL 45 CO 0.02 0.45 1.63 -0.62 0.00 0.00 0.00 175.10 176.58 2kdn s ASP 46 N 0.87 6.29 -1.20 3.32 2.15 -1.26 -0.69 116.67 126.15 2kdn s ASP 46 Ca -0.00 1.48 -0.12 0.00 0.43 0.00 0.00 52.55 54.34 2kdn s ASP 46 Cb -0.14 -2.53 0.20 0.00 -0.30 0.00 0.00 42.92 40.14 2kdn s ASP 46 CO 0.02 -1.36 1.42 1.17 -0.17 0.00 0.00 175.17 176.25 2kdn n LYS 47 N 7.84 3.45 -2.01 4.34 0.00 -0.95 -4.85 118.16 125.98 2kdn n LYS 47 Ca 0.19 -3.96 -0.26 0.00 0.00 0.00 0.00 58.31 54.29 2kdn n LYS 47 Cb 0.46 -2.93 -0.05 0.00 0.00 0.00 0.00 35.03 32.51 2kdn n LYS 47 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2kdn s SER 48 N 2.25 5.04 0.00 3.14 0.01 -1.26 -3.78 113.70 119.10 2kdn s SER 48 Ca 0.40 -0.57 0.24 0.00 1.31 0.00 0.00 55.95 57.33 2kdn s SER 48 Cb -0.03 -2.56 0.37 0.00 0.21 0.00 0.00 66.02 64.01 2kdn s SER 48 CO -0.01 -2.82 1.36 0.00 0.41 0.00 0.00 173.24 172.18 2kdn n GLY 50 N 1.44 1.50 0.42 0.00 0.00 -1.26 -4.63 105.19 102.65 2kdn n GLY 50 Ca 0.17 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.49 0.99 3.68 0.00 0.00 -1.26 -5.12 105.19 101.98 2kdn n GLY 52 Ca -0.10 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.46 0.51 -3.95 2.61 5.66 -1.26 -4.44 114.28 112.95 2kdn n THR 53 Ca -0.04 -0.09 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 2kdn n THR 53 Cb 0.42 -1.97 -0.10 0.00 -1.55 0.00 0.00 70.33 67.13 2kdn n THR 53 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kdn s SER 54 N 3.52 0.19 0.00 1.09 0.01 -1.25 -1.60 113.70 115.67 2kdn s SER 54 Ca 0.88 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.70 2kdn s SER 54 Cb -0.60 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 2kdn s SER 54 CO 0.45 -0.39 -0.07 -0.36 0.41 0.00 0.00 173.24 173.29 2kdn s PHE 55 N -1.88 0.59 -0.33 2.43 0.08 -1.18 -2.24 117.98 115.45 2kdn s PHE 55 Ca -0.11 -0.16 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 2kdn s PHE 55 Cb -0.06 -0.38 0.06 0.00 -0.57 0.00 0.00 43.02 42.07 2kdn s PHE 55 CO -0.02 -0.02 0.07 0.34 -0.10 0.00 0.00 175.22 175.49 2kdn s ASP 56 N -0.35 5.09 -0.27 1.36 -1.08 0.13 -0.40 116.67 121.16 2kdn s ASP 56 Ca 0.01 -1.34 -0.08 0.00 -0.52 0.00 0.00 52.55 50.62 2kdn s ASP 56 Cb -0.03 -1.78 -0.02 0.00 -1.46 0.00 0.00 42.92 39.62 2kdn s ASP 56 CO -0.00 -0.33 0.09 0.00 0.52 0.00 0.00 175.17 175.45 2kdn s ALA 57 N 1.29 3.19 -0.41 3.66 0.00 0.36 -0.38 121.76 129.46 2kdn s ALA 57 Ca -0.02 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.46 2kdn s ALA 57 Cb -0.20 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.77 2kdn s ALA 57 CO -0.00 -0.62 0.96 0.08 0.00 0.00 0.00 175.76 176.18 2kdn s VAL 58 N 1.61 4.49 0.03 0.00 1.01 0.39 -0.40 120.40 127.53 2kdn s VAL 58 Ca 0.06 1.09 -0.07 0.00 0.00 0.00 0.00 61.98 63.05 2kdn s VAL 58 Cb -0.16 -4.41 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2kdn s VAL 58 CO 0.04 -0.70 0.30 0.27 0.00 0.00 0.00 175.10 175.02 2kdn s ILE 59 N 3.71 5.26 -0.31 2.22 -4.36 0.44 -1.09 121.20 127.07 2kdn s ILE 59 Ca 0.40 0.19 -0.02 0.00 -0.26 0.00 0.00 60.65 60.95 2kdn s ILE 59 Cb -0.11 -3.59 0.11 0.00 1.25 0.00 0.00 42.46 40.13 2kdn s ILE 59 CO 0.23 0.32 0.14 -0.69 0.24 0.00 0.00 174.94 175.18 2kdn s VAL 60 N -1.35 0.23 0.01 8.37 1.01 -0.34 -1.46 120.40 126.87 2kdn s VAL 60 Ca 0.30 -1.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2kdn s VAL 60 Cb -0.13 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 2kdn s VAL 60 CO 0.18 -0.78 0.13 -0.55 0.00 0.00 0.00 175.10 174.08 2kdn s SER 61 N 1.72 0.05 0.54 3.32 0.15 -0.99 -0.32 113.70 118.16 2kdn s SER 61 Ca 0.11 -0.26 0.35 0.00 0.70 0.00 0.00 55.95 56.86 2kdn s SER 61 Cb -0.18 0.21 1.59 0.00 -1.71 0.00 0.00 66.02 65.92 2kdn s SER 61 CO -0.25 -0.39 2.04 0.78 1.20 0.00 0.00 173.24 176.61 2kdn h ASN 62 N 4.18 0.00 -0.61 5.45 -0.26 -1.91 -3.30 115.58 119.13 2kdn h ASN 62 Ca -0.31 0.00 0.12 0.00 -0.56 0.00 0.00 56.30 55.55 2kdn h ASN 62 Cb 1.19 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.42 2kdn h ASN 62 CO 0.42 0.00 0.41 -1.13 -1.06 0.00 0.00 177.43 176.07 2kdn h ASN 63 N 0.00 0.28 -0.02 5.81 -1.24 -1.83 -2.02 115.58 116.56 2kdn h ASN 63 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2kdn h ASN 63 Cb 0.35 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.35 2kdn h ASN 63 CO 0.00 0.16 -0.24 0.33 -1.29 0.00 0.00 177.43 176.39 2kdn n PHE 64 N -4.45 0.00 1.67 0.67 7.35 -1.24 -4.32 117.46 117.14 2kdn n PHE 64 Ca 0.11 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.92 2kdn n PHE 64 Cb 0.46 0.00 0.76 0.00 0.35 0.00 0.00 39.48 41.05 2kdn n PHE 64 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2kdn n GLU 65 N 0.30 0.84 0.00 -4.13 0.28 -0.76 -1.86 120.64 115.31 2kdn n GLU 65 Ca 0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.21 2kdn n GLU 65 Cb 0.40 -1.48 0.32 0.00 1.43 0.00 0.00 31.44 32.12 2kdn n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kdn n ASP 66 N -0.98 0.57 0.00 -1.84 2.03 -1.26 -4.94 116.55 110.12 2kdn n ASP 66 Ca 0.19 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2kdn n ASP 66 Cb 0.09 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.30 0.00 -2.23 -0.67 4.76 -0.78 -4.96 118.16 112.98 2kdn n LYS 67 Ca 0.07 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.09 2kdn n LYS 67 Cb 0.33 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.00 3.62 0.22 1.97 1.02 -1.26 -4.88 119.74 120.43 2kdn s LYS 68 Ca 0.00 1.26 0.07 0.00 0.02 0.00 0.00 55.97 57.32 2kdn s LYS 68 Cb 0.00 -4.05 0.19 0.00 -0.52 0.00 0.00 37.83 33.45 2kdn s LYS 68 CO 0.00 -1.51 1.51 1.37 -0.92 0.00 0.00 175.35 175.80 2kdn h LEU 69 N 12.23 0.13 -1.32 3.17 8.10 -1.95 -3.23 115.31 132.45 2kdn h LEU 69 Ca -0.30 -0.09 -0.07 0.00 0.11 0.00 0.00 57.88 57.53 2kdn h LEU 69 Cb 1.13 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 41.30 2kdn h LEU 69 CO 1.05 0.80 -0.26 0.17 -4.11 0.00 0.00 178.44 176.09 2kdn h LEU 70 N 0.07 0.12 -0.27 0.17 -0.00 -1.99 -0.39 115.31 113.03 2kdn h LEU 70 Ca -0.02 -0.03 -0.21 0.00 -0.00 0.00 0.00 57.88 57.62 2kdn h LEU 70 Cb 1.26 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 2kdn h LEU 70 CO 0.10 0.38 -0.79 -0.78 -0.00 0.00 0.00 178.44 177.36 2kdn h ASP 71 N 0.11 0.68 -0.46 0.17 3.58 -1.96 0.46 116.42 119.00 2kdn h ASP 71 Ca 0.02 -0.46 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 2kdn h ASP 71 Cb 0.52 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2kdn h ASP 71 CO 0.04 1.23 0.16 -0.09 -2.88 0.00 0.00 179.24 177.70 2kdn h ARG 72 N 0.37 0.70 0.02 0.28 1.12 -1.52 -2.31 114.38 113.04 2kdn h ARG 72 Ca -0.05 -0.14 -0.00 0.00 -1.11 0.00 0.00 59.98 58.68 2kdn h ARG 72 Cb 1.40 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.25 2kdn h ARG 72 CO 0.15 0.65 -0.01 1.25 -3.11 0.00 0.00 179.97 178.90 2kdn h HIS 73 N 0.60 -0.03 -0.76 2.20 2.76 -0.86 -0.81 115.15 118.25 2kdn h HIS 73 Ca 0.15 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.29 2kdn h HIS 73 Cb 0.23 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.17 2kdn h HIS 73 CO 0.01 0.05 0.38 0.07 -1.30 0.00 0.00 177.93 177.14 2kdn h ARG 74 N -0.11 1.08 0.27 5.26 0.11 -0.88 0.62 114.38 120.73 2kdn h ARG 74 Ca -0.00 -0.14 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 2kdn h ARG 74 Cb 0.10 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2kdn h ARG 74 CO 0.01 0.82 -0.13 -0.07 0.10 0.00 0.00 179.97 180.70 2kdn h LEU 75 N 1.07 -0.31 -0.18 0.08 -0.00 -1.26 -2.51 115.31 112.20 2kdn h LEU 75 Ca 0.26 -0.20 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 2kdn h LEU 75 Cb 0.09 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 2kdn h LEU 75 CO -0.04 0.07 0.08 0.58 -0.00 0.00 0.00 178.44 179.13 2kdn h VAL 76 N -0.73 0.98 -0.20 1.22 2.07 -0.98 -2.75 116.25 115.85 2kdn h VAL 76 Ca -0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2kdn h VAL 76 Cb 0.49 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2kdn h VAL 76 CO 0.06 0.03 0.11 0.78 0.02 0.00 0.00 177.57 178.57 2kdn h ASN 77 N 0.17 0.18 0.43 0.57 -0.26 -0.95 -0.22 115.58 115.50 2kdn h ASN 77 Ca 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2kdn h ASN 77 Cb 0.03 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2kdn h ASN 77 CO -0.07 0.13 -0.21 0.74 -1.06 0.00 0.00 177.43 176.97 2kdn h THR 78 N 0.23 0.57 0.03 2.81 2.02 -1.28 -1.61 112.91 115.69 2kdn h THR 78 Ca 0.08 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 2kdn h THR 78 Cb 0.00 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2kdn h THR 78 CO -0.04 0.04 -0.83 0.40 0.37 0.00 0.00 175.52 175.46 2kdn h ILE 79 N -0.70 1.28 0.00 3.11 5.03 -1.53 -3.32 117.51 121.39 2kdn h ILE 79 Ca -0.06 -2.30 0.00 0.00 -0.12 0.00 0.00 64.86 62.38 2kdn h ILE 79 Cb 0.50 2.79 0.00 0.00 -3.03 0.00 0.00 36.82 37.08 2kdn h ILE 79 CO 0.10 0.52 0.00 0.18 -0.68 0.00 0.00 178.15 178.27 2kdn n LEU 80 N -4.37 0.05 0.11 1.44 4.32 -0.09 -0.99 117.00 117.46 2kdn n LEU 80 Ca -0.22 0.51 -0.15 0.00 -0.02 0.00 0.00 56.01 56.13 2kdn n LEU 80 Cb 0.66 -0.51 -0.08 0.00 -1.62 0.00 0.00 43.42 41.87 2kdn n LEU 80 CO 0.30 -0.31 0.56 0.50 -1.22 0.00 0.00 177.39 177.22 2kdn h LYS 81 N 0.00 -0.67 -0.62 3.23 1.63 -1.32 0.14 116.57 118.96 2kdn h LYS 81 Ca 0.00 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2kdn h LYS 81 Cb 0.22 0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2kdn h LYS 81 CO 0.00 -0.45 0.36 0.93 -3.45 0.00 0.00 179.45 176.84 2kdn h GLU 82 N -0.69 0.84 0.00 1.90 5.08 -1.24 -1.79 114.58 118.67 2kdn h GLU 82 Ca 0.01 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kdn h GLU 82 Cb 0.72 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 2kdn h GLU 82 CO -0.26 0.60 -0.33 0.93 -1.00 0.00 0.00 179.01 178.94 2kdn h GLU 83 N 0.85 -0.47 -0.98 2.33 3.07 -1.21 -2.04 114.58 116.13 2kdn h GLU 83 Ca 0.22 0.03 0.28 0.00 -0.50 0.00 0.00 59.36 59.39 2kdn h GLU 83 Cb -0.02 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 27.96 2kdn h GLU 83 CO -0.04 -0.31 0.70 -0.07 -1.40 0.00 0.00 179.01 177.88 2kdn h LEU 84 N -0.49 0.05 -2.24 1.33 3.38 0.14 0.17 115.31 117.65 2kdn h LEU 84 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kdn h LEU 84 Cb 0.57 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2kdn h LEU 84 CO -0.27 0.01 -0.05 1.56 0.09 0.00 0.00 178.44 179.78 2kdn h GLN 85 N 0.04 0.00 0.00 1.13 1.08 -1.01 -2.83 115.11 113.52 2kdn h GLN 85 Ca 0.47 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.32 2kdn h GLN 85 Cb 1.81 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.18 2kdn h GLN 85 CO -0.03 0.05 -2.27 0.09 -0.95 0.00 0.00 178.83 175.72 2kdn n ASN 86 N -3.84 0.15 -4.96 1.46 3.02 0.55 -4.97 115.26 106.65 2kdn n ASN 86 Ca -0.03 0.07 -0.20 0.00 -0.03 0.00 0.00 54.58 54.39 2kdn n ASN 86 Cb 0.14 0.83 0.04 0.00 -0.61 0.00 0.00 39.78 40.18 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 -2.52 2.68 -0.16 2.41 1.01 -0.94 -5.04 121.20 118.63 2kdn s ILE 87 Ca -0.09 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.68 2kdn s ILE 87 Cb 0.06 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2kdn s ILE 87 CO 0.83 0.00 -0.24 1.57 0.00 0.00 0.00 174.94 177.10 2kdn n HIS 88 N -2.26 0.51 -3.76 3.97 -0.00 -0.62 -4.83 115.22 108.23 2kdn n HIS 88 Ca 0.09 0.22 -0.27 0.00 -0.00 0.00 0.00 57.72 57.76 2kdn n HIS 88 Cb 0.60 -0.68 -0.16 0.00 -0.00 0.00 0.00 29.99 29.74 2kdn n HIS 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kdn s ALA 89 N -2.79 1.07 -0.24 1.57 0.00 -1.24 -5.06 121.76 115.07 2kdn s ALA 89 Ca -0.22 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2kdn s ALA 89 Cb 0.03 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2kdn s ALA 89 CO 0.33 -1.09 0.38 0.12 0.00 0.00 0.00 175.76 175.50 2kdn s PHE 90 N 1.82 3.30 0.13 0.00 5.36 -1.26 -3.10 117.98 124.23 2kdn s PHE 90 Ca -0.01 0.50 0.07 0.00 -0.96 0.00 0.00 56.93 56.53 2kdn s PHE 90 Cb -0.17 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 2kdn s PHE 90 CO -0.08 -0.12 -0.04 0.45 -1.46 0.00 0.00 175.22 173.97 2kdn s SER 91 N 1.35 4.70 0.01 6.13 0.15 0.47 -5.00 113.70 121.51 2kdn s SER 91 Ca 0.17 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.48 2kdn s SER 91 Cb -0.15 -1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 63.15 2kdn s SER 91 CO 0.09 0.14 -0.01 0.00 1.20 0.00 0.00 173.24 174.66 2kdn s MET 92 N -2.51 0.17 -0.32 5.44 0.23 -1.26 -0.49 119.30 120.57 2kdn s MET 92 Ca 0.25 -0.31 -0.09 0.00 -1.03 0.00 0.00 55.69 54.51 2kdn s MET 92 Cb -0.11 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 2kdn s MET 92 CO 0.17 -0.03 0.14 0.15 -2.03 0.00 0.00 175.02 173.42 2kdn s LYS 93 N -0.77 3.11 -0.46 3.16 -0.14 0.47 -4.89 119.74 120.22 2kdn s LYS 93 Ca -0.08 -0.87 -0.27 0.00 -1.36 0.00 0.00 55.97 53.39 2kdn s LYS 93 Cb -0.05 -3.53 0.03 0.00 -1.68 0.00 0.00 37.83 32.59 2kdn s LYS 93 CO -0.00 -0.50 0.99 0.00 -0.76 0.00 0.00 175.35 175.08 2kdn s HIS 95 N 3.96 0.90 0.22 0.00 3.76 -0.54 -4.98 115.29 118.62 2kdn s HIS 95 Ca 0.41 -0.93 0.12 0.00 -0.15 0.00 0.00 55.06 54.51 2kdn s HIS 95 Cb -0.09 -0.52 -0.05 0.00 1.11 0.00 0.00 32.58 33.03 2kdn s HIS 95 CO 0.28 -0.16 -0.22 0.95 -0.85 0.00 0.00 174.74 174.73 2kdn s THR 96 N -3.63 2.38 0.11 1.30 -4.23 -1.26 -2.35 115.64 107.95 2kdn s THR 96 Ca 0.13 -2.17 -0.24 0.00 -1.18 0.00 0.00 61.69 58.23 2kdn s THR 96 Cb 0.05 -2.18 -0.07 0.00 1.34 0.00 0.00 72.50 71.64 2kdn s THR 96 CO -0.04 -0.23 1.68 1.55 -0.54 0.00 0.00 174.62 177.03 2kdn h PRO 97 N 2.85 -0.23 -0.25 3.99 0.13 -1.85 -0.92 132.00 135.73 2kdn h PRO 97 Ca -0.44 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kdn h PRO 97 Cb 1.23 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kdn h PRO 97 CO 0.53 -0.15 0.14 -0.07 -0.23 0.00 0.00 178.00 178.21 2kdn h LEU 98 N -0.24 0.30 -0.36 1.56 -0.00 -1.97 -1.61 115.31 112.98 2kdn h LEU 98 Ca 0.05 -0.07 -0.10 0.00 -0.00 0.00 0.00 57.88 57.76 2kdn h LEU 98 Cb 0.30 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2kdn h LEU 98 CO -0.14 0.28 -0.15 -0.33 -0.00 0.00 0.00 178.44 178.10 2kdn h GLU 99 N 0.30 0.74 -0.26 1.13 3.07 -1.98 -3.14 114.58 114.43 2kdn h GLU 99 Ca 0.09 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.58 2kdn h GLU 99 Cb 0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 2kdn h GLU 99 CO -0.02 0.92 -0.05 -0.92 -1.40 0.00 0.00 179.01 177.55 2kdn h TYR 100 N 0.53 0.42 -0.26 4.33 3.20 -0.94 -2.25 116.97 121.99 2kdn h TYR 100 Ca 0.08 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 2kdn h TYR 100 Cb 0.69 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2kdn h TYR 100 CO 0.06 0.46 0.02 0.22 -1.64 0.00 0.00 178.16 177.27 2kdn h ASP 101 N 0.39 0.35 1.47 -2.11 3.58 -1.25 -0.81 116.42 118.04 2kdn h ASP 101 Ca 0.08 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2kdn h ASP 101 Cb 0.33 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kdn h ASP 101 CO 0.01 0.40 -0.05 0.11 -2.88 0.00 0.00 179.24 176.84 2kdn h LYS 102 N 0.38 0.00 0.08 0.28 6.56 -1.46 -1.64 116.57 120.76 2kdn h LYS 102 Ca 0.09 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 2kdn h LYS 102 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2kdn h LYS 102 CO 0.00 0.05 -0.04 -0.07 -2.06 0.00 0.00 179.45 177.33 2kdn h LEU 103 N 0.00 -0.09 0.00 2.94 3.38 -1.09 -3.21 115.31 117.24 2kdn h LEU 103 Ca -0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kdn h LEU 103 Cb 0.80 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2kdn h LEU 103 CO 0.01 0.56 0.00 2.29 0.09 0.00 0.00 178.44 181.39 2kdn n LYS 104 N -4.82 0.07 -0.07 1.13 2.85 -0.74 -1.07 118.16 115.51 2kdn n LYS 104 Ca -0.08 0.24 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 2kdn n LYS 104 Cb 0.30 -1.50 0.49 0.00 -0.65 0.00 0.00 35.03 33.66 2kdn n LYS 104 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kdn h SER 105 N 0.00 0.38 0.00 -5.58 0.87 -1.30 -3.37 113.55 104.55 2kdn h SER 105 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kdn h SER 105 Cb 0.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2kdn h SER 105 CO 0.00 0.24 -0.35 2.29 -0.53 0.00 0.00 176.83 178.47 2kdn n LYS 106 N -4.47 0.00 0.00 2.24 0.00 -1.07 -5.07 118.16 109.78 2kdn n LYS 106 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2kdn n LYS 106 Cb 0.33 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 34.98 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 2.10 2.68 0.00 2.58 0.00 -0.23 -5.15 105.19 107.17 2kdn n GLY 107 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06