#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdn n GLY 2 N 0.00 1.79 0.51 3.17 0.00 -1.26 -5.00 105.19 104.41 2kdn n GLY 2 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2kdn n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kdn n SER 3 N 0.00 2.02 -4.63 1.61 7.64 -1.26 -4.95 113.62 114.05 2kdn n SER 3 Ca 0.00 -1.51 -0.31 0.00 1.01 0.00 0.00 58.87 58.06 2kdn n SER 3 Cb 0.00 0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.53 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 -2.27 4.76 -0.98 6.43 0.01 -1.26 -5.06 113.70 115.33 2kdn s SER 4 Ca 0.18 -0.19 -0.16 0.00 1.31 0.00 0.00 55.95 57.09 2kdn s SER 4 Cb 0.17 -1.10 0.17 0.00 0.21 0.00 0.00 66.02 65.48 2kdn s SER 4 CO 0.50 0.23 1.10 -1.38 0.41 0.00 0.00 173.24 174.10 2kdn s HIS 5 N -1.15 3.46 -0.76 2.43 -3.43 -1.26 -4.70 115.29 109.89 2kdn s HIS 5 Ca 0.21 -1.81 0.13 0.00 -0.80 0.00 0.00 55.06 52.79 2kdn s HIS 5 Cb -0.11 -4.14 0.42 0.00 -1.43 0.00 0.00 32.58 27.32 2kdn s HIS 5 CO 0.12 -1.30 1.35 0.72 -2.00 0.00 0.00 174.74 173.63 2kdn n HIS 6 N 5.38 0.71 -3.60 0.38 8.25 -1.26 -4.99 115.22 120.10 2kdn n HIS 6 Ca 0.24 -0.62 -0.14 0.00 -0.26 0.00 0.00 57.72 56.94 2kdn n HIS 6 Cb 0.46 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 2kdn n HIS 6 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kdn s HIS 7 N -1.60 -0.65 0.15 4.41 0.00 -1.26 -5.17 115.29 111.16 2kdn s HIS 7 Ca 0.32 1.44 -0.09 0.00 -3.00 0.00 0.00 55.06 53.73 2kdn s HIS 7 Cb 0.21 0.34 -0.06 0.00 -4.00 0.00 0.00 32.58 29.07 2kdn s HIS 7 CO 0.15 -0.41 0.46 -1.58 -1.00 0.00 0.00 174.74 172.36 2kdn s HIS 8 N -0.20 3.52 0.42 0.38 5.65 -1.26 -5.10 115.29 118.69 2kdn s HIS 8 Ca -0.02 0.80 -0.06 0.00 0.25 0.00 0.00 55.06 56.03 2kdn s HIS 8 Cb -0.03 -2.18 0.09 0.00 -1.18 0.00 0.00 32.58 29.28 2kdn s HIS 8 CO 0.02 0.41 0.57 0.72 -0.65 0.00 0.00 174.74 175.81 2kdn n HIS 9 N 0.40 -3.82 -3.57 3.88 -0.00 -1.26 -5.05 115.22 105.80 2kdn n HIS 9 Ca -0.04 -0.59 -0.36 0.00 -0.00 0.00 0.00 57.72 56.73 2kdn n HIS 9 Cb 0.52 -0.43 -0.07 0.00 -0.00 0.00 0.00 29.99 30.00 2kdn n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kdn s HIS 10 N -2.08 3.44 0.00 4.41 4.02 -1.26 -5.08 115.29 118.73 2kdn s HIS 10 Ca 0.33 0.52 0.00 0.00 1.02 0.00 0.00 55.06 56.93 2kdn s HIS 10 Cb -0.01 -2.31 0.00 0.00 -1.02 0.00 0.00 32.58 29.24 2kdn s HIS 10 CO 0.23 0.22 0.00 -1.13 1.02 0.00 0.00 174.74 175.08 2kdn n SER 11 N 3.67 0.00 -4.71 1.40 3.41 -1.26 -4.92 113.62 111.21 2kdn n SER 11 Ca -0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.06 2kdn n SER 11 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 2kdn n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2kdn s SER 12 N -1.00 6.45 0.00 4.04 0.15 -1.26 -3.42 113.70 118.66 2kdn s SER 12 Ca 0.00 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.42 2kdn s SER 12 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2kdn s SER 12 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2kdn n GLY 13 N 3.95 0.16 0.08 9.45 0.00 -1.26 -4.98 105.19 112.59 2kdn n GLY 13 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.64 -0.28 1.61 1.85 -1.22 -4.11 116.66 115.15 2kdn n ARG 14 Ca 0.00 0.12 0.03 0.00 -1.00 0.00 0.00 57.85 57.00 2kdn n ARG 14 Cb 0.00 -1.70 0.15 0.00 -1.05 0.00 0.00 32.46 29.86 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 -2.79 2.24 0.00 2.89 0.00 -1.26 -3.96 120.64 117.76 2kdn n GLU 15 Ca -0.16 -1.16 0.06 0.00 0.00 0.00 0.00 57.16 55.91 2kdn n GLU 15 Cb 0.91 -1.62 0.30 0.00 0.00 0.00 0.00 31.44 31.03 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 0.27 0.00 0.28 -1.84 0.23 -1.26 -1.69 115.26 111.25 2kdn n ASN 16 Ca 0.10 0.41 0.18 0.00 -0.53 0.00 0.00 54.58 54.74 2kdn n ASN 16 Cb 0.50 -0.45 0.75 0.00 -2.08 0.00 0.00 39.78 38.49 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 -9.48 -4.53 3.38 -1.91 -3.43 115.31 99.34 2kdn h LEU 17 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2kdn h LEU 17 Cb 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 2kdn h LEU 17 CO 0.00 0.01 -0.58 -0.31 0.09 0.00 0.00 178.44 177.65 2kdn s TYR 18 N -3.74 3.28 0.28 1.13 2.02 -0.68 -5.02 117.35 114.62 2kdn s TYR 18 Ca 0.00 0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.91 2kdn s TYR 18 Cb 0.10 -1.78 0.38 0.00 -0.40 0.00 0.00 41.96 40.26 2kdn s TYR 18 CO 0.53 0.55 1.94 0.27 -1.57 0.00 0.00 175.55 177.27 2kdn h PHE 19 N 4.57 1.14 -0.28 2.71 -0.00 -1.85 -0.19 116.94 123.04 2kdn h PHE 19 Ca -0.50 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 2kdn h PHE 19 Cb 1.19 -0.38 0.00 0.00 -0.00 0.00 0.00 35.95 36.76 2kdn h PHE 19 CO 0.65 0.70 0.00 0.00 -0.00 0.00 0.00 178.31 179.66 2kdn n GLN 20 N -4.41 1.74 0.00 6.09 -0.00 -1.26 -3.74 117.38 115.81 2kdn n GLN 20 Ca 0.11 -1.15 0.11 0.00 -0.00 0.00 0.00 57.00 56.08 2kdn n GLN 20 Cb 0.05 -1.30 0.10 0.00 -0.00 0.00 0.00 30.24 29.08 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 1.06 -1.04 2.93 2.61 0.00 -0.08 -4.80 105.19 105.87 2kdn n GLY 21 Ca 0.13 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.94 -0.57 0.03 1.61 -3.43 -1.24 -4.28 115.29 104.48 2kdn s HIS 22 Ca 0.11 0.77 0.05 0.00 -0.80 0.00 0.00 55.06 55.19 2kdn s HIS 22 Cb 0.17 -0.07 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 2kdn s HIS 22 CO 0.75 -0.57 -0.13 -1.64 -2.00 0.00 0.00 174.74 171.14 2kdn s MET 23 N 2.46 0.91 0.49 -0.38 -1.94 -1.26 -4.96 119.30 114.62 2kdn s MET 23 Ca 0.07 -0.71 -0.23 0.00 -1.71 0.00 0.00 55.69 53.11 2kdn s MET 23 Cb -0.14 -0.91 -0.06 0.00 2.01 0.00 0.00 34.83 35.72 2kdn s MET 23 CO -0.13 0.23 1.25 0.00 -0.01 0.00 0.00 175.02 176.36 2kdn h ILE 25 N 1.75 0.95 -0.59 0.00 6.09 -2.00 -0.62 117.51 123.09 2kdn h ILE 25 Ca -0.50 -0.16 -0.08 0.00 -1.37 0.00 0.00 64.86 62.74 2kdn h ILE 25 Cb 1.27 0.43 -0.02 0.00 0.47 0.00 0.00 36.82 38.97 2kdn h ILE 25 CO 0.59 0.09 0.04 -0.61 -3.07 0.00 0.00 178.15 175.18 2kdn h GLN 26 N 0.48 0.99 -0.16 2.19 4.15 -2.00 -2.76 115.11 118.00 2kdn h GLN 26 Ca 0.26 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2kdn h GLN 26 Cb 0.39 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2kdn h GLN 26 CO -0.07 0.95 -0.08 -0.22 -1.93 0.00 0.00 178.83 177.48 2kdn h LYS 27 N 0.92 0.34 -0.28 1.69 1.63 -1.48 -1.51 116.57 117.88 2kdn h LYS 27 Ca 0.17 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2kdn h LYS 27 Cb 0.49 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 2kdn h LYS 27 CO 0.02 0.66 0.06 -0.24 -3.45 0.00 0.00 179.45 176.50 2kdn h VAL 28 N 0.02 1.22 -0.23 2.00 3.04 -1.47 -1.02 116.25 119.81 2kdn h VAL 28 Ca 0.04 -0.75 -0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2kdn h VAL 28 Cb 0.56 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 2kdn h VAL 28 CO 0.02 0.24 0.14 0.40 -1.01 0.00 0.00 177.57 177.37 2kdn h ILE 29 N 0.28 1.08 -0.81 3.17 5.03 -1.51 -1.96 117.51 122.79 2kdn h ILE 29 Ca 0.09 -0.19 0.01 0.00 -0.12 0.00 0.00 64.86 64.65 2kdn h ILE 29 Cb 0.31 0.80 -0.04 0.00 -3.03 0.00 0.00 36.82 34.86 2kdn h ILE 29 CO 0.00 0.08 0.53 -0.08 -0.68 0.00 0.00 178.15 178.01 2kdn h GLU 30 N 0.29 1.04 -0.27 2.37 4.22 -1.15 -2.56 114.58 118.51 2kdn h GLU 30 Ca 0.08 -0.06 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 2kdn h GLU 30 Cb 0.01 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2kdn h GLU 30 CO -0.02 0.69 -0.29 0.22 -2.18 0.00 0.00 179.01 177.43 2kdn h ASP 31 N 1.07 0.56 0.43 1.04 3.58 -0.91 -1.68 116.42 120.51 2kdn h ASP 31 Ca 0.30 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2kdn h ASP 31 Cb -0.09 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.81 2kdn h ASP 31 CO -0.08 0.83 -0.21 0.11 -2.88 0.00 0.00 179.24 177.02 2kdn h LYS 32 N 0.48 -0.55 0.00 0.28 1.79 -0.97 -2.56 116.57 115.04 2kdn h LYS 32 Ca 0.06 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.46 2kdn h LYS 32 Cb 0.75 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 2kdn h LYS 32 CO 0.06 -0.26 -0.53 1.37 -1.08 0.00 0.00 179.45 179.02 2kdn h LEU 33 N -0.83 0.00 -0.29 2.94 8.10 -1.49 -2.49 115.31 121.24 2kdn h LEU 33 Ca -0.06 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.83 2kdn h LEU 33 Cb 0.55 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2kdn h LEU 33 CO 0.10 0.53 -0.23 0.28 -4.11 0.00 0.00 178.44 175.00 2kdn h SER 34 N 0.00 0.71 0.71 0.17 0.02 -1.33 0.14 113.55 113.96 2kdn h SER 34 Ca -0.01 -0.45 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2kdn h SER 34 Cb 1.00 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2kdn h SER 34 CO 0.07 1.01 -0.42 0.28 -1.14 0.00 0.00 176.83 176.62 2kdn h SER 35 N 0.42 0.00 0.00 3.07 0.02 -1.36 -1.47 113.55 114.24 2kdn h SER 35 Ca 0.05 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 2kdn h SER 35 Cb 0.78 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 2kdn h SER 35 CO 0.06 0.42 -0.68 0.00 -1.14 0.00 0.00 176.83 175.49 2kdn h ALA 36 N 1.58 0.10 0.05 3.77 0.00 -1.35 -3.41 119.26 120.01 2kdn h ALA 36 Ca -0.00 -0.72 -0.25 0.00 0.00 0.00 0.00 54.91 53.93 2kdn h ALA 36 Cb 0.89 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2kdn h ALA 36 CO 0.05 0.47 -1.22 -0.07 0.00 0.00 0.00 179.25 178.48 2kdn h LEU 37 N -1.00 0.16 -2.50 0.00 3.38 -0.84 -3.49 115.31 111.02 2kdn h LEU 37 Ca -0.14 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kdn h LEU 37 Cb 0.81 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kdn h LEU 37 CO -0.08 1.15 -0.18 0.29 0.09 0.00 0.00 178.44 179.71 2kdn n LYS 38 N -3.37 -1.36 -3.19 1.13 5.02 -0.55 -4.73 118.16 111.11 2kdn n LYS 38 Ca -0.06 1.46 -0.39 0.00 -2.02 0.00 0.00 58.31 57.30 2kdn n LYS 38 Cb 0.99 -4.64 -0.06 0.00 -0.02 0.00 0.00 35.03 31.30 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 -2.62 4.33 0.33 1.97 0.04 -1.26 -4.46 135.00 133.34 2kdn s PRO 39 Ca 0.09 0.75 0.11 0.00 0.04 0.00 0.00 61.00 61.98 2kdn s PRO 39 Cb -0.02 -3.35 0.58 0.00 0.04 0.00 0.00 34.50 31.75 2kdn s PRO 39 CO 0.56 0.35 1.75 1.79 0.04 0.00 0.00 177.00 181.50 2kdn h THR 40 N 4.16 1.32 -3.46 1.26 1.35 -0.43 -3.43 112.91 113.68 2kdn h THR 40 Ca -0.45 -1.52 -0.24 0.00 -0.55 0.00 0.00 66.41 63.65 2kdn h THR 40 Cb 1.20 1.79 -0.30 0.00 -1.73 0.00 0.00 68.15 69.10 2kdn h THR 40 CO 0.70 0.44 -0.65 0.12 -0.25 0.00 0.00 175.52 175.88 2kdn s PHE 41 N -4.05 -0.08 -0.06 4.73 5.36 -0.38 -5.03 117.98 118.47 2kdn s PHE 41 Ca -0.03 0.26 -0.02 0.00 -0.96 0.00 0.00 56.93 56.18 2kdn s PHE 41 Cb 0.14 -0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.78 2kdn s PHE 41 CO 0.74 -0.09 0.11 -1.17 -1.46 0.00 0.00 175.22 173.36 2kdn s LEU 42 N 0.66 0.52 -0.04 6.12 1.98 -1.26 -0.61 118.68 126.06 2kdn s LEU 42 Ca -0.05 0.22 0.00 0.00 -2.89 0.00 0.00 54.13 51.41 2kdn s LEU 42 Cb -0.07 0.18 0.03 0.00 0.66 0.00 0.00 46.19 46.98 2kdn s LEU 42 CO -0.03 -0.18 0.00 -0.70 -1.89 0.00 0.00 176.35 173.55 2kdn s GLU 43 N 1.57 0.34 -0.34 1.98 2.12 -0.86 -5.00 118.70 118.51 2kdn s GLU 43 Ca -0.04 0.09 -0.20 0.00 0.36 0.00 0.00 54.97 55.18 2kdn s GLU 43 Cb -0.12 -0.57 -0.00 0.00 0.26 0.00 0.00 34.13 33.70 2kdn s GLU 43 CO -0.05 -0.17 0.63 -0.51 -0.54 0.00 0.00 175.26 174.63 2kdn s LEU 44 N 1.22 4.21 -0.25 2.70 2.01 -1.26 -0.49 118.68 126.81 2kdn s LEU 44 Ca -0.07 0.26 -0.06 0.00 0.01 0.00 0.00 54.13 54.27 2kdn s LEU 44 Cb -0.13 -2.80 -0.01 0.00 0.01 0.00 0.00 46.19 43.26 2kdn s LEU 44 CO -0.02 -0.55 0.03 -0.69 1.01 0.00 0.00 176.35 176.13 2kdn s VAL 45 N 2.67 3.84 -0.20 -1.59 1.01 0.27 -4.97 120.40 121.42 2kdn s VAL 45 Ca 0.25 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.57 2kdn s VAL 45 Cb -0.15 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2kdn s VAL 45 CO 0.14 0.28 0.54 -0.62 0.00 0.00 0.00 175.10 175.44 2kdn s ASP 46 N 1.52 6.58 -0.39 3.32 -1.08 -1.26 -0.53 116.67 124.83 2kdn s ASP 46 Ca 0.05 0.70 0.01 0.00 -0.52 0.00 0.00 52.55 52.78 2kdn s ASP 46 Cb -0.15 -2.30 0.14 0.00 -1.46 0.00 0.00 42.92 39.14 2kdn s ASP 46 CO 0.01 -0.21 0.23 -0.75 0.52 0.00 0.00 175.17 174.96 2kdn s LYS 47 N 1.76 0.82 -1.02 4.34 2.20 -1.26 -4.95 119.74 121.63 2kdn s LYS 47 Ca 0.25 -1.60 -0.11 0.00 -0.36 0.00 0.00 55.97 54.15 2kdn s LYS 47 Cb -0.16 -1.66 -0.03 0.00 -1.51 0.00 0.00 37.83 34.47 2kdn s LYS 47 CO 0.10 -1.20 0.81 0.43 -0.36 0.00 0.00 175.35 175.12 2kdn n SER 48 N 3.81 -6.20 -4.61 1.43 7.64 -1.26 -4.89 113.62 109.54 2kdn n SER 48 Ca 0.12 -0.74 -0.43 0.00 1.01 0.00 0.00 58.87 58.82 2kdn n SER 48 Cb 0.37 -4.23 -0.02 0.00 -1.01 0.00 0.00 64.21 59.32 2kdn n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kdn h GLY 50 N 11.81 0.28 -7.41 0.00 0.00 -1.94 -3.43 103.07 102.38 2kdn h GLY 50 Ca -0.27 -0.61 -0.71 0.00 0.00 0.00 0.00 47.33 45.73 2kdn h GLY 50 CO 1.08 0.54 -0.46 0.00 0.00 0.00 0.00 176.54 177.70 2kdn n GLY 52 N 4.85 1.22 3.34 0.00 0.00 -1.26 -4.58 105.19 108.76 2kdn n GLY 52 Ca -0.08 0.30 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 2kdn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kdn s THR 53 N 0.00 -0.01 -0.13 2.61 -1.32 -1.26 -4.98 115.64 110.55 2kdn s THR 53 Ca 0.00 0.03 -0.05 0.00 -1.21 0.00 0.00 61.69 60.47 2kdn s THR 53 Cb 0.00 -0.65 0.06 0.00 -1.51 0.00 0.00 72.50 70.41 2kdn s THR 53 CO 0.00 0.01 0.25 -0.44 -2.21 0.00 0.00 174.62 172.24 2kdn s SER 54 N 0.74 0.42 -0.08 8.08 0.01 -1.26 -1.23 113.70 120.38 2kdn s SER 54 Ca -0.04 0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.77 2kdn s SER 54 Cb -0.05 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 66.81 2kdn s SER 54 CO -0.05 -0.24 -0.09 -0.36 0.41 0.00 0.00 173.24 172.91 2kdn s PHE 55 N 2.41 2.89 -0.39 2.43 0.08 -1.23 -4.42 117.98 119.74 2kdn s PHE 55 Ca 0.02 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 2kdn s PHE 55 Cb -0.12 -1.74 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2kdn s PHE 55 CO -0.08 0.20 0.25 0.34 -0.10 0.00 0.00 175.22 175.83 2kdn s ASP 56 N -0.52 5.92 -0.28 1.36 -1.08 0.31 -0.40 116.67 121.98 2kdn s ASP 56 Ca 0.07 -0.93 -0.08 0.00 -0.52 0.00 0.00 52.55 51.09 2kdn s ASP 56 Cb -0.12 -2.09 -0.01 0.00 -1.46 0.00 0.00 42.92 39.23 2kdn s ASP 56 CO 0.02 -0.41 0.10 0.00 0.52 0.00 0.00 175.17 175.40 2kdn s ALA 57 N 1.62 3.19 -0.36 3.66 0.00 0.44 -0.57 121.76 129.74 2kdn s ALA 57 Ca 0.04 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.43 2kdn s ALA 57 Cb -0.19 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.72 2kdn s ALA 57 CO 0.08 -0.71 1.48 0.08 0.00 0.00 0.00 175.76 176.69 2kdn s VAL 58 N 1.60 3.84 -0.38 0.00 1.01 0.35 -0.39 120.40 126.43 2kdn s VAL 58 Ca 0.05 0.89 -0.09 0.00 0.00 0.00 0.00 61.98 62.83 2kdn s VAL 58 Cb -0.16 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.22 2kdn s VAL 58 CO 0.04 -0.61 0.20 -0.51 0.00 0.00 0.00 175.10 174.22 2kdn s ILE 59 N 5.49 4.20 -0.41 2.22 -1.16 0.45 -2.04 121.20 129.95 2kdn s ILE 59 Ca 0.65 -1.17 -0.08 0.00 -0.51 0.00 0.00 60.65 59.54 2kdn s ILE 59 Cb -0.17 -3.45 0.09 0.00 0.61 0.00 0.00 42.46 39.54 2kdn s ILE 59 CO 0.31 -0.34 0.24 -0.69 -2.81 0.00 0.00 174.94 171.66 2kdn s VAL 60 N 1.45 4.00 0.03 4.00 1.01 0.22 -0.89 120.40 130.22 2kdn s VAL 60 Ca 0.01 -1.54 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 2kdn s VAL 60 Cb -0.21 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2kdn s VAL 60 CO 0.04 -0.54 0.15 -0.55 0.00 0.00 0.00 175.10 174.20 2kdn s SER 61 N 2.07 0.07 0.54 3.32 0.15 -0.84 0.39 113.70 119.40 2kdn s SER 61 Ca 0.03 -0.36 0.35 0.00 0.70 0.00 0.00 55.95 56.67 2kdn s SER 61 Cb -0.23 0.24 1.57 0.00 -1.71 0.00 0.00 66.02 65.89 2kdn s SER 61 CO 0.01 -0.48 2.03 0.78 1.20 0.00 0.00 173.24 176.78 2kdn h ASN 62 N 3.77 0.00 0.35 5.45 4.21 -1.89 -2.31 115.58 125.16 2kdn h ASN 62 Ca -0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.19 2kdn h ASN 62 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 2kdn h ASN 62 CO 0.46 0.00 0.00 -1.13 -1.29 0.00 0.00 177.43 175.47 2kdn h ASN 63 N 0.00 0.00 0.65 5.81 -1.24 -1.84 -1.88 115.58 117.07 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 0.36 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.41 2kdn h ASN 63 CO 0.00 0.00 -1.33 0.33 -1.29 0.00 0.00 177.43 175.14 2kdn n PHE 64 N -2.92 0.63 0.27 0.67 7.35 -0.87 -4.09 117.46 118.50 2kdn n PHE 64 Ca -0.01 0.18 0.17 0.00 -0.76 0.00 0.00 57.45 57.03 2kdn n PHE 64 Cb 0.14 -0.79 0.63 0.00 0.35 0.00 0.00 39.48 39.82 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 0.00 0.00 0.00 -4.13 4.11 -1.44 -0.57 114.58 112.56 2kdn h GLU 65 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kdn h GLU 65 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2kdn h GLU 65 CO 0.00 0.00 -0.02 -0.44 0.07 0.00 0.00 179.01 178.62 2kdn h ASP 66 N 0.00 0.00 -0.77 3.06 3.32 -1.71 -3.46 116.42 116.86 2kdn h ASP 66 Ca -0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2kdn h ASP 66 Cb 0.56 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.98 2kdn h ASP 66 CO 0.00 0.02 -0.30 1.17 -1.72 0.00 0.00 179.24 178.41 2kdn n LYS 67 N -3.13 -1.17 -2.54 3.56 3.00 -0.22 -4.92 118.16 112.74 2kdn n LYS 67 Ca 0.00 1.07 -0.41 0.00 -0.00 0.00 0.00 58.31 58.97 2kdn n LYS 67 Cb 0.29 -5.28 -0.03 0.00 0.00 0.00 0.00 35.03 30.02 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kdn s LYS 68 N -3.37 3.31 0.10 1.64 -0.14 -1.26 -4.88 119.74 115.14 2kdn s LYS 68 Ca 0.00 0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.45 2kdn s LYS 68 Cb 0.00 -4.12 -0.07 0.00 -1.68 0.00 0.00 37.83 31.97 2kdn s LYS 68 CO 0.00 -1.97 1.49 1.37 -0.76 0.00 0.00 175.35 175.48 2kdn h LEU 69 N 12.69 0.61 -1.14 3.17 8.10 -1.97 -2.11 115.31 134.66 2kdn h LEU 69 Ca -0.27 -0.37 -0.09 0.00 0.11 0.00 0.00 57.88 57.27 2kdn h LEU 69 Cb 1.06 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.10 2kdn h LEU 69 CO 1.24 0.84 -0.36 0.17 -4.11 0.00 0.00 178.44 176.22 2kdn h LEU 70 N 0.37 0.13 -0.08 0.17 -0.00 -1.98 -0.88 115.31 113.04 2kdn h LEU 70 Ca 0.08 -0.05 -0.12 0.00 -0.00 0.00 0.00 57.88 57.79 2kdn h LEU 70 Cb 0.58 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2kdn h LEU 70 CO 0.03 0.49 -0.41 0.44 -0.00 0.00 0.00 178.44 178.98 2kdn h ASP 71 N 0.11 0.50 0.22 0.17 3.32 -1.93 0.38 116.42 119.19 2kdn h ASP 71 Ca 0.01 -0.65 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 2kdn h ASP 71 Cb 0.69 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2kdn h ASP 71 CO 0.05 1.07 -0.35 0.08 -1.72 0.00 0.00 179.24 178.37 2kdn h ARG 72 N -0.04 0.20 0.08 3.56 0.11 -1.32 -1.51 114.38 115.46 2kdn h ARG 72 Ca -0.03 -0.08 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2kdn h ARG 72 Cb 1.07 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.14 2kdn h ARG 72 CO 0.09 0.53 -0.04 1.25 0.10 0.00 0.00 179.97 181.90 2kdn h HIS 73 N 0.17 -0.10 -0.75 4.08 2.76 -1.06 -0.87 115.15 119.38 2kdn h HIS 73 Ca 0.02 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2kdn h HIS 73 Cb 0.71 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 2kdn h HIS 73 CO 0.01 0.12 0.26 0.07 -1.30 0.00 0.00 177.93 177.09 2kdn h ARG 74 N -0.31 1.14 0.13 5.26 0.11 -0.75 -1.09 114.38 118.87 2kdn h ARG 74 Ca -0.01 -0.22 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 2kdn h ARG 74 Cb 0.26 -0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2kdn h ARG 74 CO 0.02 0.95 -0.06 -0.07 0.10 0.00 0.00 179.97 180.90 2kdn h LEU 75 N 1.10 -0.14 -0.50 0.08 -0.00 -1.25 -2.11 115.31 112.48 2kdn h LEU 75 Ca 0.25 -0.26 0.04 0.00 -0.00 0.00 0.00 57.88 57.90 2kdn h LEU 75 Cb 0.26 0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 2kdn h LEU 75 CO -0.01 0.19 0.27 0.58 -0.00 0.00 0.00 178.44 179.46 2kdn h VAL 76 N -0.49 0.99 -0.67 1.22 2.07 -1.03 -2.40 116.25 115.94 2kdn h VAL 76 Ca -0.02 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 2kdn h VAL 76 Cb 0.39 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2kdn h VAL 76 CO 0.03 0.10 0.30 0.78 0.02 0.00 0.00 177.57 178.79 2kdn h ASN 77 N 0.52 0.89 0.39 0.57 -0.26 -1.20 0.13 115.58 116.63 2kdn h ASN 77 Ca 0.21 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 2kdn h ASN 77 Cb 0.10 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 2kdn h ASN 77 CO -0.13 0.79 -0.24 0.74 -1.06 0.00 0.00 177.43 177.53 2kdn h THR 78 N 0.93 0.50 0.02 2.81 2.02 -0.88 -1.66 112.91 116.66 2kdn h THR 78 Ca 0.23 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 67.19 2kdn h THR 78 Cb 0.15 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2kdn h THR 78 CO -0.02 0.00 -1.15 0.40 0.37 0.00 0.00 175.52 175.11 2kdn h ILE 79 N -0.60 1.03 0.00 3.11 5.03 -1.51 -3.36 117.51 121.21 2kdn h ILE 79 Ca -0.04 -2.24 0.00 0.00 -0.12 0.00 0.00 64.86 62.46 2kdn h ILE 79 Cb 0.50 2.47 0.00 0.00 -3.03 0.00 0.00 36.82 36.75 2kdn h ILE 79 CO 0.04 0.44 0.00 0.18 -0.68 0.00 0.00 178.15 178.13 2kdn n LEU 80 N -4.33 0.00 0.33 1.44 4.32 0.46 -2.36 117.00 116.87 2kdn n LEU 80 Ca -0.28 0.22 -0.19 0.00 -0.02 0.00 0.00 56.01 55.74 2kdn n LEU 80 Cb 0.71 -0.22 -0.10 0.00 -1.62 0.00 0.00 43.42 42.19 2kdn n LEU 80 CO 0.25 -0.07 0.53 0.50 -1.22 0.00 0.00 177.39 177.38 2kdn h LYS 81 N 0.00 -1.04 -0.15 3.23 1.63 -1.34 0.14 116.57 119.04 2kdn h LYS 81 Ca 0.00 0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 2kdn h LYS 81 Cb 0.15 0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2kdn h LYS 81 CO 0.00 -0.69 -0.32 0.93 -3.45 0.00 0.00 179.45 175.92 2kdn h GLU 82 N -1.08 0.30 0.13 1.90 4.39 -1.71 -2.96 114.58 115.56 2kdn h GLU 82 Ca -0.08 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.52 2kdn h GLU 82 Cb 0.91 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.51 2kdn h GLU 82 CO -0.02 0.60 -0.31 1.49 -1.16 0.00 0.00 179.01 179.61 2kdn h GLU 83 N 0.26 -0.51 -0.90 2.33 4.57 -1.33 -2.53 114.58 116.47 2kdn h GLU 83 Ca 0.03 0.04 0.26 0.00 -1.18 0.00 0.00 59.36 58.51 2kdn h GLU 83 Cb 0.70 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 2kdn h GLU 83 CO 0.05 -0.34 0.64 -0.07 -1.18 0.00 0.00 179.01 178.11 2kdn h LEU 84 N -0.53 0.05 -2.07 1.64 3.38 -0.55 -1.53 115.31 115.69 2kdn h LEU 84 Ca 0.03 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.09 2kdn h LEU 84 Cb 0.56 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2kdn h LEU 84 CO -0.18 0.02 0.35 1.56 0.09 0.00 0.00 178.44 180.28 2kdn h GLN 85 N 0.04 0.00 -0.42 1.13 1.08 -1.45 0.18 115.11 115.67 2kdn h GLN 85 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 2kdn h GLN 85 Cb 1.67 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 2kdn h GLN 85 CO -0.03 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.94 2kdn n ASN 86 N -3.72 3.16 -4.25 1.46 3.02 -0.58 -4.97 115.26 109.39 2kdn n ASN 86 Ca 0.05 -1.94 -0.18 0.00 -0.03 0.00 0.00 54.58 52.48 2kdn n ASN 86 Cb 0.50 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 39.28 2kdn n ASN 86 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kdn s ILE 87 N -1.06 1.35 -0.11 2.41 1.01 0.63 -4.93 121.20 120.50 2kdn s ILE 87 Ca 0.31 -1.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.10 2kdn s ILE 87 Cb 0.17 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 2kdn s ILE 87 CO 0.22 -0.47 -0.11 -0.74 0.00 0.00 0.00 174.94 173.84 2kdn h HIS 88 N 3.33 0.00 -2.78 3.97 -0.00 -1.40 -3.46 115.15 114.82 2kdn h HIS 88 Ca -0.39 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.41 2kdn h HIS 88 Cb 1.20 0.00 -0.40 0.00 -0.00 0.00 0.00 27.41 28.21 2kdn h HIS 88 CO 0.66 0.00 -0.80 0.00 -0.00 0.00 0.00 177.93 177.79 2kdn s ALA 89 N -2.71 1.01 -0.25 5.26 0.00 -1.24 -5.05 121.76 118.77 2kdn s ALA 89 Ca -0.09 -1.61 -0.25 0.00 0.00 0.00 0.00 51.96 50.01 2kdn s ALA 89 Cb 0.01 -1.55 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 2kdn s ALA 89 CO 0.13 -1.87 0.84 0.12 0.00 0.00 0.00 175.76 174.99 2kdn s PHE 90 N 1.47 3.30 0.22 0.00 5.36 -1.26 -3.51 117.98 123.55 2kdn s PHE 90 Ca 0.13 1.13 0.09 0.00 -0.96 0.00 0.00 56.93 57.32 2kdn s PHE 90 Cb -0.20 -3.10 -0.04 0.00 -0.34 0.00 0.00 43.02 39.34 2kdn s PHE 90 CO -0.17 -0.43 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.02 2kdn s SER 91 N 1.37 4.58 -0.01 6.13 0.01 0.46 -4.98 113.70 121.26 2kdn s SER 91 Ca 0.35 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 57.09 2kdn s SER 91 Cb -0.15 -0.89 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2kdn s SER 91 CO 0.08 0.05 -0.06 0.00 0.41 0.00 0.00 173.24 173.72 2kdn s MET 92 N -3.27 0.58 -0.40 12.44 0.23 -1.26 -0.42 119.30 127.20 2kdn s MET 92 Ca 0.29 -0.20 -0.12 0.00 -1.03 0.00 0.00 55.69 54.63 2kdn s MET 92 Cb -0.08 -0.57 0.04 0.00 -1.53 0.00 0.00 34.83 32.69 2kdn s MET 92 CO 0.19 0.09 0.26 0.21 -2.03 0.00 0.00 175.02 173.73 2kdn s LYS 93 N 0.08 2.85 -0.12 3.16 2.47 0.48 -4.86 119.74 123.80 2kdn s LYS 93 Ca -0.01 -1.14 -0.22 0.00 -1.56 0.00 0.00 55.97 53.05 2kdn s LYS 93 Cb -0.05 -3.84 -0.03 0.00 -1.46 0.00 0.00 37.83 32.44 2kdn s LYS 93 CO -0.00 -0.78 0.65 0.00 0.16 0.00 0.00 175.35 175.38 2kdn s HIS 95 N 1.15 0.12 0.25 0.00 3.76 -0.07 -4.96 115.29 115.54 2kdn s HIS 95 Ca 0.33 -0.52 0.08 0.00 -0.15 0.00 0.00 55.06 54.80 2kdn s HIS 95 Cb -0.17 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 2kdn s HIS 95 CO 0.14 -0.61 0.12 0.95 -0.85 0.00 0.00 174.74 174.49 2kdn s THR 96 N -3.87 4.09 0.58 1.30 -4.23 -1.26 -1.99 115.64 110.25 2kdn s THR 96 Ca 0.07 -1.55 0.27 0.00 -1.18 0.00 0.00 61.69 59.29 2kdn s THR 96 Cb 0.04 -3.19 0.34 0.00 1.34 0.00 0.00 72.50 71.03 2kdn s THR 96 CO -0.09 -0.33 2.20 1.55 -0.54 0.00 0.00 174.62 177.41 2kdn h PRO 97 N 1.74 0.00 -0.02 3.99 0.13 -1.87 -1.57 132.00 134.41 2kdn h PRO 97 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kdn h PRO 97 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kdn h PRO 97 CO 0.61 0.00 0.01 -0.07 -0.23 0.00 0.00 178.00 178.31 2kdn h LEU 98 N 0.00 0.02 -0.23 1.56 -0.00 -1.96 0.15 115.31 114.87 2kdn h LEU 98 Ca 0.02 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.76 2kdn h LEU 98 Cb 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.76 2kdn h LEU 98 CO -0.00 0.16 0.14 -0.33 -0.00 0.00 0.00 178.44 178.42 2kdn h GLU 99 N -0.12 0.30 -0.90 1.13 5.08 -1.76 -2.80 114.58 115.51 2kdn h GLU 99 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kdn h GLU 99 Cb 0.15 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2kdn h GLU 99 CO -0.00 0.22 0.57 -0.92 -1.00 0.00 0.00 179.01 177.88 2kdn h TYR 100 N 0.29 1.16 -0.74 4.33 3.20 -1.15 -1.47 116.97 122.59 2kdn h TYR 100 Ca 0.08 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2kdn h TYR 100 Cb -0.01 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 37.84 2kdn h TYR 100 CO -0.06 0.75 0.44 0.22 -1.64 0.00 0.00 178.16 177.87 2kdn h ASP 101 N 1.23 0.88 0.40 -2.11 3.58 -0.47 -1.06 116.42 118.87 2kdn h ASP 101 Ca 0.33 -0.05 -0.14 0.00 0.42 0.00 0.00 57.03 57.58 2kdn h ASP 101 Cb -0.10 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.72 2kdn h ASP 101 CO -0.07 0.68 -0.60 0.11 -2.88 0.00 0.00 179.24 176.48 2kdn h LYS 102 N 1.02 0.20 -0.61 0.28 6.56 -1.08 -2.24 116.57 120.69 2kdn h LYS 102 Ca 0.27 -0.14 -0.06 0.00 -1.06 0.00 0.00 60.65 59.66 2kdn h LYS 102 Cb -0.04 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 2kdn h LYS 102 CO -0.05 0.74 0.16 -0.07 -2.06 0.00 0.00 179.45 178.17 2kdn h LEU 103 N 0.15 0.92 -0.52 2.94 3.38 -0.26 0.82 115.31 122.74 2kdn h LEU 103 Ca -0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2kdn h LEU 103 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2kdn h LEU 103 CO 0.09 0.91 0.16 0.11 0.09 0.00 0.00 178.44 179.80 2kdn h LYS 104 N 0.89 0.81 0.00 1.13 1.57 -1.14 -2.13 116.57 117.69 2kdn h LYS 104 Ca 0.19 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2kdn h LYS 104 Cb 0.34 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2kdn h LYS 104 CO -0.00 0.74 0.00 0.43 -0.57 0.00 0.00 179.45 180.05 2kdn n SER 105 N -4.48 0.00 -0.11 0.86 7.64 -0.85 -4.60 113.62 112.07 2kdn n SER 105 Ca 0.02 0.70 -0.15 0.00 1.01 0.00 0.00 58.87 60.44 2kdn n SER 105 Cb 0.19 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 62.83 2kdn n SER 105 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kdn n LYS 106 N -1.81 0.67 0.00 1.43 2.85 0.20 -5.01 118.16 116.50 2kdn n LYS 106 Ca 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2kdn n LYS 106 Cb 0.00 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 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 2.07 1.29 0.00 2.58 0.00 -0.71 -5.00 105.19 105.43 2kdn n GLY 107 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2kdn n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76