#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfd s LEU 2 N 0.00 4.42 0.34 0.00 1.43 -1.25 -4.93 118.68 118.69 3kfd s LEU 2 Ca 0.00 2.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.76 3kfd s LEU 2 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 3kfd s LEU 2 CO 0.00 -1.05 0.13 1.51 0.23 0.00 0.00 176.35 177.17 3kfd s ASP 3 N 4.35 2.09 0.16 2.29 1.47 -1.26 -0.67 116.67 125.11 3kfd s ASP 3 Ca 0.87 -1.56 -0.17 0.00 1.18 0.00 0.00 52.55 52.88 3kfd s ASP 3 Cb -0.42 0.33 0.08 0.00 -0.34 0.00 0.00 42.92 42.57 3kfd s ASP 3 CO 0.40 -0.84 1.69 0.74 0.68 0.00 0.00 175.17 177.84 3kfd h THR 4 N 2.06 0.69 -0.56 2.11 2.02 -1.60 -2.37 112.91 115.27 3kfd h THR 4 Ca -0.36 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 66.85 3kfd h THR 4 Cb 1.26 0.63 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 3kfd h THR 4 CO 0.57 0.01 0.30 0.78 0.37 0.00 0.00 175.52 177.55 3kfd h ASN 5 N 0.06 0.44 0.02 4.18 2.35 -1.97 -2.41 115.58 118.24 3kfd h ASN 5 Ca 0.18 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3kfd h ASN 5 Cb 0.26 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3kfd h ASN 5 CO -0.33 0.30 -0.01 0.22 -1.65 0.00 0.00 177.43 175.96 3kfd h TYR 6 N 0.57 -0.03 -0.01 1.19 3.20 -1.88 -3.29 116.97 116.72 3kfd h TYR 6 Ca 0.24 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.11 3kfd h TYR 6 Cb 0.14 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3kfd h TYR 6 CO -0.09 0.36 -0.33 0.00 -1.64 0.00 0.00 178.16 176.45 3kfd n PHE 8 N -0.54 0.03 -0.05 0.00 3.72 -0.91 -4.15 117.46 115.55 3kfd n PHE 8 Ca 0.11 0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.41 3kfd n PHE 8 Cb 0.38 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.64 3kfd n PHE 8 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3kfd n SER 9 N -1.57 0.71 0.00 4.37 3.41 -1.21 -5.01 113.62 114.32 3kfd n SER 9 Ca 0.04 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3kfd n SER 9 Cb 0.35 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3kfd n SER 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kfd n SER 10 N -2.98 0.40 -3.22 4.04 3.41 -1.12 -5.14 113.62 109.00 3kfd n SER 10 Ca -0.25 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.35 3kfd n SER 10 Cb 1.09 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 65.02 3kfd n SER 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kfd s THR 11 N 1.92 -0.90 -1.03 6.66 -1.32 -1.26 -4.90 115.64 114.81 3kfd s THR 11 Ca 0.00 -0.14 0.23 0.00 -1.21 0.00 0.00 61.69 60.57 3kfd s THR 11 Cb 0.00 -0.26 -0.12 0.00 -1.51 0.00 0.00 72.50 70.60 3kfd s THR 11 CO 0.00 -0.09 1.12 1.21 -2.21 0.00 0.00 174.62 174.66 3kfd n GLU 12 N 4.57 0.03 -1.87 7.08 4.07 -1.26 -4.93 120.64 128.34 3kfd n GLU 12 Ca 0.10 -0.02 -0.02 0.00 -0.06 0.00 0.00 57.16 57.15 3kfd n GLU 12 Cb 0.55 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.42 3kfd n GLU 12 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kfd n LYS 13 N -1.46 -2.06 -4.37 5.31 4.81 -1.26 -4.86 118.16 114.27 3kfd n LYS 13 Ca 0.05 0.12 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 3kfd n LYS 13 Cb 0.33 -4.44 -0.10 0.00 0.02 0.00 0.00 35.03 30.85 3kfd n LYS 13 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 3kfd s ASN 14 N -1.65 2.55 -0.33 3.14 3.84 -1.26 -4.61 114.94 116.62 3kfd s ASN 14 Ca 0.00 -1.09 -0.31 0.00 0.21 0.00 0.00 52.86 51.68 3kfd s ASN 14 Cb 0.00 -0.13 -0.13 0.00 -0.55 0.00 0.00 41.25 40.44 3kfd s ASN 14 CO 0.00 -0.25 1.09 0.00 -2.79 0.00 0.00 177.10 175.15 3kfd s VAL 17 N -2.00 3.23 0.99 0.00 -7.23 -1.26 -1.88 120.40 112.25 3kfd s VAL 17 Ca 0.00 0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 60.23 3kfd s VAL 17 Cb 0.00 -3.33 0.23 0.00 0.56 0.00 0.00 36.38 33.84 3kfd s VAL 17 CO 0.00 -0.22 1.35 -0.13 -0.31 0.00 0.00 175.10 175.79 3kfd s ARG 18 N 6.17 0.37 -0.12 4.82 1.81 0.15 -4.77 118.95 127.38 3kfd s ARG 18 Ca 0.90 -0.55 -0.02 0.00 -1.72 0.00 0.00 55.73 54.33 3kfd s ARG 18 Cb -0.27 -1.84 -0.03 0.00 -0.45 0.00 0.00 34.95 32.37 3kfd s ARG 18 CO 0.33 -2.57 -0.03 -1.14 -0.68 0.00 0.00 175.30 171.21 3kfd s GLN 19 N -5.94 3.32 -0.13 3.54 0.74 -1.26 -3.05 119.66 116.87 3kfd s GLN 19 Ca 0.77 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 55.61 3kfd s GLN 19 Cb -0.02 -2.82 0.05 0.00 1.10 0.00 0.00 33.01 31.31 3kfd s GLN 19 CO 0.54 0.45 0.31 -1.17 -0.55 0.00 0.00 175.29 174.87 3kfd s LEU 20 N -0.20 0.27 -0.12 3.68 2.96 -1.26 -4.81 118.68 119.19 3kfd s LEU 20 Ca 0.04 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3kfd s LEU 20 Cb -0.13 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.52 3kfd s LEU 20 CO 0.02 -0.17 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.37 3kfd s TYR 21 N 1.20 3.02 -0.19 5.38 5.04 -1.26 -1.42 117.35 129.13 3kfd s TYR 21 Ca -0.08 -0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 3kfd s TYR 21 Cb -0.09 -1.87 0.01 0.00 0.35 0.00 0.00 41.96 40.36 3kfd s TYR 21 CO -0.09 0.14 -0.14 0.42 -1.34 0.00 0.00 175.55 174.54 3kfd s ILE 22 N -0.14 2.59 -0.42 3.14 1.01 -0.46 -4.96 121.20 121.95 3kfd s ILE 22 Ca 0.03 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.72 3kfd s ILE 22 Cb -0.13 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3kfd s ILE 22 CO 0.02 0.49 0.56 -0.62 0.00 0.00 0.00 174.94 175.40 3kfd s ASP 23 N 1.35 6.28 0.25 3.58 -1.08 -1.26 -2.01 116.67 123.78 3kfd s ASP 23 Ca 0.05 -0.43 -0.05 0.00 -0.52 0.00 0.00 52.55 51.60 3kfd s ASP 23 Cb -0.14 -2.28 0.48 0.00 -1.46 0.00 0.00 42.92 39.52 3kfd s ASP 23 CO -0.09 -0.68 1.65 -0.26 0.52 0.00 0.00 175.17 176.32 3kfd h PHE 24 N 8.79 0.12 0.00 -5.34 0.04 -1.83 0.82 116.94 119.54 3kfd h PHE 24 Ca -0.26 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3kfd h PHE 24 Cb 1.10 0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.32 3kfd h PHE 24 CO 0.69 -0.18 0.00 0.00 -0.60 0.00 0.00 178.31 178.22 3kfd h ARG 25 N 0.17 0.00 0.00 1.51 3.08 -1.77 0.47 114.38 117.85 3kfd h ARG 25 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3kfd h ARG 25 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3kfd h ARG 25 CO -0.60 0.00 -0.93 1.63 -1.07 0.00 0.00 179.97 178.99 3kfd n LYS 26 N -3.04 0.56 -0.12 0.04 5.02 -0.75 -4.12 118.16 115.75 3kfd n LYS 26 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 3kfd n LYS 26 Cb 0.52 -0.97 -0.12 0.00 -0.02 0.00 0.00 35.03 34.44 3kfd n LYS 26 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kfd n ASP 27 N -1.42 1.99 -0.05 4.39 8.00 0.28 -4.69 116.55 125.04 3kfd n ASP 27 Ca 0.00 -0.06 -0.02 0.00 0.71 0.00 0.00 54.79 55.43 3kfd n ASP 27 Cb 0.02 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 3kfd n ASP 27 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kfd n LEU 28 N -3.41 0.00 0.00 0.64 4.77 -1.14 -5.00 117.00 112.86 3kfd n LEU 28 Ca -0.46 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3kfd n LEU 28 Cb 0.98 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.29 3kfd n LEU 28 CO 0.24 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3kfd n GLY 29 N 1.96 0.54 3.75 -0.72 0.00 0.14 -5.00 105.19 105.85 3kfd n GLY 29 Ca -0.16 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 3kfd n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kfd s TRP 30 N -2.00 3.64 -0.02 1.61 0.51 0.44 -4.92 118.94 118.19 3kfd s TRP 30 Ca 0.00 1.13 0.03 0.00 -2.12 0.00 0.00 56.10 55.14 3kfd s TRP 30 Cb 0.00 -2.60 0.04 0.00 -0.81 0.00 0.00 33.47 30.10 3kfd s TRP 30 CO 0.00 0.30 0.96 1.63 -0.51 0.00 0.00 176.95 179.33 3kfd n LYS 31 N 3.00 2.29 0.00 4.98 5.02 -1.26 -3.21 118.16 128.99 3kfd n LYS 31 Ca -0.07 -1.52 0.11 0.00 -2.02 0.00 0.00 58.31 54.82 3kfd n LYS 31 Cb 0.51 -1.00 0.05 0.00 -0.02 0.00 0.00 35.03 34.57 3kfd n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3kfd n TRP 32 N -0.56 0.00 -3.40 2.13 4.27 -1.26 -4.84 117.44 113.77 3kfd n TRP 32 Ca 0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 3kfd n TRP 32 Cb 0.35 -0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.20 3kfd n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3kfd s ILE 33 N -2.32 5.17 0.20 -1.67 1.01 -1.26 -4.55 121.20 117.78 3kfd s ILE 33 Ca 0.22 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3kfd s ILE 33 Cb 0.19 -3.92 -0.08 0.00 0.01 0.00 0.00 42.46 38.66 3kfd s ILE 33 CO 0.48 -0.27 1.49 -0.74 0.00 0.00 0.00 174.94 175.90 3kfd h HIS 34 N 8.61 0.45 -1.61 3.97 -0.00 -1.66 -3.45 115.15 121.46 3kfd h HIS 34 Ca -0.28 -0.19 0.07 0.00 -0.00 0.00 0.00 60.37 59.97 3kfd h HIS 34 Cb 1.13 -0.07 -0.26 0.00 -0.00 0.00 0.00 27.41 28.20 3kfd h HIS 34 CO 0.62 0.91 0.40 -2.00 -0.00 0.00 0.00 177.93 177.86 3kfd s GLU 35 N -3.68 0.49 1.07 5.26 2.56 -0.81 -4.66 118.70 118.93 3kfd s GLU 35 Ca -0.05 0.66 -0.16 0.00 0.00 0.00 0.00 54.97 55.42 3kfd s GLU 35 Cb 0.11 0.19 0.23 0.00 2.00 0.00 0.00 34.13 36.66 3kfd s GLU 35 CO 0.82 -0.07 1.16 -2.14 -0.56 0.00 0.00 175.26 174.47 3kfd s PRO 36 N 0.65 -0.15 0.07 4.30 0.02 -1.26 0.51 135.00 139.14 3kfd s PRO 36 Ca -0.01 0.02 0.24 0.00 0.02 0.00 0.00 61.00 61.27 3kfd s PRO 36 Cb -0.05 -1.71 0.36 0.00 0.02 0.00 0.00 34.50 33.12 3kfd s PRO 36 CO -0.09 -3.01 1.31 1.63 -0.33 0.00 0.00 177.00 176.51 3kfd n LYS 37 N -4.28 0.20 -3.77 5.54 5.02 -1.26 -4.93 118.16 114.67 3kfd n LYS 37 Ca 0.11 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.44 3kfd n LYS 37 Cb 0.59 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3kfd n LYS 37 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kfd s GLY 38 N -3.44 -0.20 0.09 0.72 0.00 -1.26 -2.72 107.32 100.51 3kfd s GLY 38 Ca 0.07 0.20 -0.25 0.00 0.00 0.00 0.00 44.72 44.74 3kfd s GLY 38 CO 0.72 1.49 0.65 -2.52 0.00 0.00 0.00 173.10 173.45 3kfd s TYR 39 N -2.53 -0.54 -0.57 1.90 1.13 -0.85 -4.99 117.35 110.90 3kfd s TYR 39 Ca 0.18 0.49 -0.24 0.00 -1.41 0.00 0.00 57.07 56.09 3kfd s TYR 39 Cb 0.01 0.53 0.04 0.00 -1.10 0.00 0.00 41.96 41.44 3kfd s TYR 39 CO 0.00 -0.76 0.95 -1.01 -2.51 0.00 0.00 175.55 172.22 3kfd s HIS 40 N -3.11 2.77 -0.15 -3.49 3.76 -1.26 -1.36 115.29 112.45 3kfd s HIS 40 Ca -0.01 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 54.88 3kfd s HIS 40 Cb -0.01 -4.11 -0.23 0.00 1.11 0.00 0.00 32.58 29.35 3kfd s HIS 40 CO -0.08 -1.40 0.25 0.00 -0.85 0.00 0.00 174.74 172.67 3kfd n ALA 41 N 7.52 1.30 -0.57 -1.40 0.00 -0.74 -4.82 120.51 121.80 3kfd n ALA 41 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 53.44 52.57 3kfd n ALA 41 Cb 0.47 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 3kfd n ALA 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kfd n ASN 42 N -3.16 -3.40 -3.77 0.00 3.02 -0.50 -2.27 115.26 105.18 3kfd n ASN 42 Ca -0.31 0.21 -0.04 0.00 -0.03 0.00 0.00 54.58 54.41 3kfd n ASN 42 Cb 1.06 -0.60 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3kfd n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3kfd s PHE 43 N -0.44 -0.14 -0.12 3.10 -0.71 -1.17 -4.63 117.98 113.87 3kfd s PHE 43 Ca 0.00 -0.19 -0.03 0.00 -1.04 0.00 0.00 56.93 55.67 3kfd s PHE 43 Cb 0.00 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.43 3kfd s PHE 43 CO 0.00 -0.88 -0.01 0.00 -1.34 0.00 0.00 175.22 173.00 3kfd s LEU 45 N -0.26 -0.27 0.00 0.00 2.96 -0.79 -4.85 118.68 115.47 3kfd s LEU 45 Ca 0.06 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 3kfd s LEU 45 Cb -0.12 2.15 0.00 0.00 0.50 0.00 0.00 46.19 48.72 3kfd s LEU 45 CO 0.02 -0.44 0.00 0.61 -1.32 0.00 0.00 176.35 175.22 3kfd n GLY 46 N 1.61 3.83 3.52 7.98 0.00 -1.26 -1.32 105.19 119.55 3kfd n GLY 46 Ca -0.18 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 3kfd n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kfd s PRO 47 N -3.74 -1.11 -0.49 1.61 0.04 -1.26 -3.62 135.00 126.42 3kfd s PRO 47 Ca 0.00 0.39 0.04 0.00 0.04 0.00 0.00 61.00 61.47 3kfd s PRO 47 Cb 0.00 -1.57 0.17 0.00 0.04 0.00 0.00 34.50 33.14 3kfd s PRO 47 CO 0.00 -3.74 0.38 0.00 0.04 0.00 0.00 177.00 173.68 3kfd s PRO 49 N -0.35 0.33 0.24 0.00 0.04 -1.26 -4.67 135.00 129.32 3kfd s PRO 49 Ca 0.30 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.05 3kfd s PRO 49 Cb 0.00 -1.69 -0.13 0.00 0.04 0.00 0.00 34.50 32.73 3kfd s PRO 49 CO -0.18 -2.94 1.59 0.98 0.04 0.00 0.00 177.00 176.49 3kfd n TYR 50 N -4.39 2.58 -3.23 0.56 9.36 -1.26 -3.28 117.16 117.49 3kfd n TYR 50 Ca 0.07 0.24 -0.16 0.00 3.32 0.00 0.00 57.90 61.36 3kfd n TYR 50 Cb 0.54 -2.58 0.01 0.00 -0.63 0.00 0.00 39.34 36.68 3kfd n TYR 50 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3kfd n ILE 51 N 2.80 -7.76 -3.07 2.97 5.41 -1.26 -5.01 119.36 113.43 3kfd n ILE 51 Ca 0.13 0.25 -0.14 0.00 1.00 0.00 0.00 62.75 63.98 3kfd n ILE 51 Cb 0.34 -5.53 -0.04 0.00 -0.71 0.00 0.00 39.64 33.70 3kfd n ILE 51 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 3kfd s TRP 52 N -2.51 -0.42 -1.40 1.39 -0.11 -1.21 -4.92 118.94 109.77 3kfd s TRP 52 Ca 0.17 -1.30 -0.06 0.00 1.22 0.00 0.00 56.10 56.13 3kfd s TRP 52 Cb -0.03 -0.24 0.03 0.00 -1.50 0.00 0.00 33.47 31.74 3kfd s TRP 52 CO 0.81 -1.07 0.87 0.45 -4.62 0.00 0.00 176.95 173.40 3kfd n SER 53 N 3.01 -3.13 -4.66 5.86 2.88 -1.26 -4.62 113.62 111.70 3kfd n SER 53 Ca 0.22 -0.77 -0.43 0.00 -1.33 0.00 0.00 58.87 56.57 3kfd n SER 53 Cb 0.52 -4.14 -0.02 0.00 -0.75 0.00 0.00 64.21 59.82 3kfd n SER 53 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kfd s LEU 54 N -6.96 4.14 0.03 2.46 1.43 -1.26 -1.44 118.68 117.07 3kfd s LEU 54 Ca 0.32 1.58 -0.26 0.00 -1.03 0.00 0.00 54.13 54.74 3kfd s LEU 54 Cb -0.16 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.38 3kfd s LEU 54 CO 0.81 -0.77 1.21 -0.78 0.23 0.00 0.00 176.35 177.05 3kfd h ASP 55 N 8.12 -0.80 -1.60 2.29 3.58 -1.65 -3.47 116.42 122.90 3kfd h ASP 55 Ca -0.25 0.03 -0.63 0.00 0.42 0.00 0.00 57.03 56.60 3kfd h ASP 55 Cb 1.09 0.21 -0.13 0.00 1.72 0.00 0.00 39.33 42.22 3kfd h ASP 55 CO 0.98 -0.49 -0.60 0.28 -2.88 0.00 0.00 179.24 176.53 3kfd s THR 56 N -4.77 1.96 0.28 2.25 -1.32 -1.26 -5.01 115.64 107.77 3kfd s THR 56 Ca -0.14 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.36 3kfd s THR 56 Cb 0.01 -2.96 0.28 0.00 -1.51 0.00 0.00 72.50 68.32 3kfd s THR 56 CO 0.41 0.00 1.81 1.56 -2.21 0.00 0.00 174.62 176.19 3kfd h GLN 57 N 1.75 0.86 -0.83 7.08 4.20 -2.00 -0.19 115.11 125.98 3kfd h GLN 57 Ca -0.44 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 3kfd h GLN 57 Cb 1.24 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 3kfd h GLN 57 CO 0.81 0.57 0.50 -0.92 -0.67 0.00 0.00 178.83 179.11 3kfd h TYR 58 N 0.89 1.10 -0.92 2.96 3.20 -1.99 -0.24 116.97 121.97 3kfd h TYR 58 Ca 0.50 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.36 3kfd h TYR 58 Cb 0.59 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3kfd h TYR 58 CO -0.02 0.74 0.52 0.77 -1.64 0.00 0.00 178.16 178.52 3kfd h SER 59 N 1.15 1.13 -0.83 -2.11 0.02 -1.35 0.20 113.55 111.76 3kfd h SER 59 Ca 0.30 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3kfd h SER 59 Cb -0.04 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.18 3kfd h SER 59 CO -0.06 0.90 0.43 0.11 -1.14 0.00 0.00 176.83 177.07 3kfd h LYS 60 N 1.28 1.18 -0.15 3.45 1.79 -0.47 -1.37 116.57 122.27 3kfd h LYS 60 Ca 0.32 -0.16 -0.05 0.00 -2.18 0.00 0.00 60.65 58.59 3kfd h LYS 60 Cb 0.00 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.43 3kfd h LYS 60 CO -0.05 0.89 -0.11 0.28 -1.08 0.00 0.00 179.45 179.38 3kfd h VAL 61 N 1.17 1.33 -0.99 0.50 2.07 -0.33 -1.82 116.25 118.17 3kfd h VAL 61 Ca 0.29 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.61 3kfd h VAL 61 Cb 0.08 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3kfd h VAL 61 CO -0.04 0.35 0.65 -0.07 0.02 0.00 0.00 177.57 178.48 3kfd h LEU 62 N -0.01 1.15 0.61 2.57 3.38 -0.52 0.13 115.31 122.61 3kfd h LEU 62 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kfd h LEU 62 Cb 0.61 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kfd h LEU 62 CO 0.03 0.84 -0.29 0.00 0.09 0.00 0.00 178.44 179.11 3kfd h ALA 63 N 1.36 -0.81 -0.60 1.53 0.00 -1.24 -0.26 119.26 119.24 3kfd h ALA 63 Ca 0.36 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 55.25 3kfd h ALA 63 Cb -0.14 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kfd h ALA 63 CO -0.08 -0.89 0.44 -0.07 0.00 0.00 0.00 179.25 178.66 3kfd h LEU 64 N -0.95 0.00 0.07 0.00 3.38 -1.07 -0.30 115.31 116.44 3kfd h LEU 64 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kfd h LEU 64 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kfd h LEU 64 CO 0.14 0.00 -0.03 0.22 0.09 0.00 0.00 178.44 178.85 3kfd h TYR 65 N 0.00 -0.09 0.00 1.13 5.03 -0.40 -2.96 116.97 119.68 3kfd h TYR 65 Ca 0.28 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.59 3kfd h TYR 65 Cb 1.17 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.48 3kfd h TYR 65 CO 0.00 0.41 0.00 -1.71 -1.32 0.00 0.00 178.16 175.54 3kfd n ASN 66 N -4.88 0.39 0.00 -2.11 5.15 -0.14 -1.21 115.26 112.47 3kfd n ASN 66 Ca -0.08 0.63 -0.18 0.00 -0.60 0.00 0.00 54.58 54.35 3kfd n ASN 66 Cb 0.28 -0.70 -0.14 0.00 -0.53 0.00 0.00 39.78 38.68 3kfd n ASN 66 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3kfd h GLN 67 N 0.00 0.19 0.00 1.20 4.15 -1.01 -3.30 115.11 116.33 3kfd h GLN 67 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3kfd h GLN 67 Cb 0.17 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3kfd h GLN 67 CO 0.00 1.15 -0.12 0.72 -1.93 0.00 0.00 178.83 178.65 3kfd n HIS 68 N -4.30 0.08 -3.72 3.99 8.25 -1.01 -4.57 115.22 113.95 3kfd n HIS 68 Ca -0.13 0.02 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 3kfd n HIS 68 Cb 0.70 -0.49 -0.15 0.00 1.12 0.00 0.00 29.99 31.17 3kfd n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3kfd s ASN 69 N -3.14 3.70 0.15 0.41 0.02 -0.35 -5.11 114.94 110.62 3kfd s ASN 69 Ca 0.13 -1.39 -0.30 0.00 -1.02 0.00 0.00 52.86 50.28 3kfd s ASN 69 Cb 0.18 -0.75 -0.08 0.00 0.02 0.00 0.00 41.25 40.63 3kfd s ASN 69 CO 0.57 -0.39 1.25 -2.84 0.02 0.00 0.00 177.10 175.72 3kfd s PRO 70 N 1.73 4.43 -1.61 -0.60 0.02 -1.26 -3.35 135.00 134.36 3kfd s PRO 70 Ca 0.07 1.92 -0.04 0.00 0.02 0.00 0.00 61.00 62.97 3kfd s PRO 70 Cb -0.17 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.10 3kfd s PRO 70 CO -0.22 -0.21 0.48 0.41 -0.33 0.00 0.00 177.00 177.13 3kfd n GLY 71 N 2.62 -0.52 0.00 0.52 0.00 -1.26 -4.86 105.19 101.68 3kfd n GLY 71 Ca 0.07 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3kfd n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfd n ALA 72 N -3.23 1.63 -0.59 4.61 0.00 -1.21 -4.82 120.51 116.89 3kfd n ALA 72 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3kfd n ALA 72 Cb 0.64 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3kfd n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfd n SER 73 N -1.46 0.00 -4.03 0.00 2.88 -1.26 -4.93 113.62 104.81 3kfd n SER 73 Ca 0.04 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.26 3kfd n SER 73 Cb 0.14 -1.10 -0.15 0.00 -0.75 0.00 0.00 64.21 62.36 3kfd n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kfd s ALA 74 N -2.44 2.58 0.07 -1.46 0.00 -1.26 -5.09 121.76 114.16 3kfd s ALA 74 Ca 0.00 -1.95 -0.23 0.00 0.00 0.00 0.00 51.96 49.78 3kfd s ALA 74 Cb 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.49 3kfd s ALA 74 CO 0.00 -1.36 0.55 0.00 0.00 0.00 0.00 175.76 174.95 3kfd s ALA 75 N 1.08 -1.41 0.55 0.00 0.00 -1.26 -4.17 121.76 116.55 3kfd s ALA 75 Ca -0.02 0.59 -0.20 0.00 0.00 0.00 0.00 51.96 52.33 3kfd s ALA 75 Cb -0.20 0.50 -0.07 0.00 0.00 0.00 0.00 23.12 23.36 3kfd s ALA 75 CO -0.07 -0.57 0.93 -2.30 0.00 0.00 0.00 175.76 173.75 3kfd n PRO 76 N 0.20 0.99 -4.89 0.00 -0.02 -1.26 -4.96 135.00 125.05 3kfd n PRO 76 Ca -0.18 0.37 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 3kfd n PRO 76 Cb 0.61 -2.09 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3kfd n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kfd s VAL 79 N 5.79 0.73 0.61 0.00 -7.23 0.24 -4.48 120.40 116.07 3kfd s VAL 79 Ca 0.45 -1.19 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 3kfd s VAL 79 Cb -0.09 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.00 3kfd s VAL 79 CO 0.22 -0.35 1.03 -0.81 -0.31 0.00 0.00 175.10 174.87 3kfd n PRO 80 N 1.33 0.95 0.00 4.82 -0.04 -1.26 -0.67 135.00 140.13 3kfd n PRO 80 Ca -0.22 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3kfd n PRO 80 Cb 0.55 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3kfd n PRO 80 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3kfd n GLN 81 N -1.15 0.00 -3.98 0.54 7.27 -0.19 -4.70 117.38 115.17 3kfd n GLN 81 Ca 0.14 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.87 3kfd n GLN 81 Cb 0.47 -0.93 -0.14 0.00 2.41 0.00 0.00 30.24 32.05 3kfd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kfd s ALA 82 N -2.00 2.68 0.05 1.69 0.00 -1.23 -4.99 121.76 117.95 3kfd s ALA 82 Ca 0.00 -1.61 0.01 0.00 0.00 0.00 0.00 51.96 50.36 3kfd s ALA 82 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 3kfd s ALA 82 CO 0.00 -1.01 0.13 -0.51 0.00 0.00 0.00 175.76 174.37 3kfd s LEU 83 N 1.25 4.06 0.03 0.00 1.02 -1.26 -0.63 118.68 123.15 3kfd s LEU 83 Ca -0.03 0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.31 3kfd s LEU 83 Cb -0.18 -2.63 -0.02 0.00 0.02 0.00 0.00 46.19 43.38 3kfd s LEU 83 CO -0.04 0.20 -0.13 -1.61 0.02 0.00 0.00 176.35 174.78 3kfd s GLU 84 N -2.29 0.92 0.89 1.70 2.02 0.25 -4.73 118.70 117.47 3kfd s GLU 84 Ca 0.30 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.53 3kfd s GLU 84 Cb -0.12 -0.91 0.13 0.00 0.10 0.00 0.00 34.13 33.33 3kfd s GLU 84 CO 0.23 0.23 1.14 -1.25 0.02 0.00 0.00 175.26 175.63 3kfd s PRO 85 N -0.91 1.17 -0.20 0.39 0.04 -1.26 -0.71 135.00 133.52 3kfd s PRO 85 Ca 0.02 1.51 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 3kfd s PRO 85 Cb -0.07 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.79 3kfd s PRO 85 CO 0.01 -2.51 0.08 -1.17 0.04 0.00 0.00 177.00 173.44 3kfd s LEU 86 N -6.51 0.71 0.10 -3.56 2.96 -0.68 -4.75 118.68 106.95 3kfd s LEU 86 Ca 0.66 -0.81 -0.31 0.00 -0.22 0.00 0.00 54.13 53.45 3kfd s LEU 86 Cb -0.22 -0.39 -0.09 0.00 0.50 0.00 0.00 46.19 45.99 3kfd s LEU 86 CO 0.57 -0.35 1.62 -2.16 -1.32 0.00 0.00 176.35 174.72 3kfd s PRO 87 N 2.03 4.20 0.12 0.98 0.04 -1.26 -1.94 135.00 139.17 3kfd s PRO 87 Ca 0.02 2.34 0.04 0.00 0.04 0.00 0.00 61.00 63.45 3kfd s PRO 87 Cb -0.16 -3.44 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 3kfd s PRO 87 CO -0.13 -0.69 -0.11 0.96 0.04 0.00 0.00 177.00 177.07 3kfd s ILE 88 N 2.09 1.08 -0.19 0.56 -4.36 0.24 -4.60 121.20 116.03 3kfd s ILE 88 Ca 0.73 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 3kfd s ILE 88 Cb -0.41 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 41.74 3kfd s ILE 88 CO 0.32 -0.61 -0.18 -0.69 0.24 0.00 0.00 174.94 174.01 3kfd s VAL 89 N -2.75 2.23 0.02 8.37 1.01 0.18 -1.89 120.40 127.57 3kfd s VAL 89 Ca 0.10 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3kfd s VAL 89 Cb -0.01 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 3kfd s VAL 89 CO 0.01 0.52 -0.06 -0.72 0.00 0.00 0.00 175.10 174.85 3kfd s TYR 90 N 1.31 0.53 -0.27 5.22 1.13 -0.42 -1.70 117.35 123.15 3kfd s TYR 90 Ca 0.05 -0.31 -0.16 0.00 -1.41 0.00 0.00 57.07 55.24 3kfd s TYR 90 Cb -0.13 -0.33 -0.03 0.00 -1.10 0.00 0.00 41.96 40.37 3kfd s TYR 90 CO -0.12 -0.06 0.41 0.71 -2.51 0.00 0.00 175.55 173.98 3kfd s TYR 91 N -0.81 3.25 -0.77 -3.49 2.02 -1.26 -1.26 117.35 115.03 3kfd s TYR 91 Ca -0.05 0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 56.98 3kfd s TYR 91 Cb -0.06 -2.61 0.20 0.00 -0.40 0.00 0.00 41.96 39.09 3kfd s TYR 91 CO 0.00 -0.24 0.72 0.08 -1.57 0.00 0.00 175.55 174.54 3kfd s VAL 92 N 2.11 5.51 0.00 0.71 1.01 -0.67 -4.94 120.40 124.13 3kfd s VAL 92 Ca 0.17 -2.32 0.00 0.00 0.00 0.00 0.00 61.98 59.83 3kfd s VAL 92 Cb -0.16 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.80 3kfd s VAL 92 CO 0.10 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.81 3kfd n GLY 93 N 4.18 0.36 0.05 4.51 0.00 -1.26 -3.06 105.19 109.97 3kfd n GLY 93 Ca 0.09 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.45 3kfd n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfd n ARG 94 N 10.61 0.23 -2.69 1.61 1.74 -1.26 -4.89 116.66 122.00 3kfd n ARG 94 Ca 0.00 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.73 3kfd n ARG 94 Cb 0.00 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.76 3kfd n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3kfd s LYS 95 N -3.13 4.25 -0.38 5.56 -0.14 -1.17 -5.00 119.74 119.74 3kfd s LYS 95 Ca 0.08 1.31 -0.29 0.00 -1.36 0.00 0.00 55.97 55.71 3kfd s LYS 95 Cb 0.14 -3.64 -0.00 0.00 -1.68 0.00 0.00 37.83 32.65 3kfd s LYS 95 CO 0.70 -0.62 1.53 -2.14 -0.76 0.00 0.00 175.35 174.07 3kfd s PRO 96 N 3.15 3.53 -0.11 -1.68 0.02 -1.26 -1.67 135.00 136.98 3kfd s PRO 96 Ca 0.43 1.12 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 3kfd s PRO 96 Cb -0.15 -4.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.26 3kfd s PRO 96 CO 0.06 -1.62 0.05 0.21 -0.33 0.00 0.00 177.00 175.37 3kfd s LYS 97 N 5.11 3.23 -0.07 5.54 2.20 -0.39 -4.99 119.74 130.38 3kfd s LYS 97 Ca 0.67 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 56.01 3kfd s LYS 97 Cb -0.17 -2.97 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 3kfd s LYS 97 CO 0.33 0.69 -0.16 0.08 -0.36 0.00 0.00 175.35 175.93 3kfd s VAL 98 N -0.83 1.37 0.26 4.02 1.01 -1.26 -1.30 120.40 123.67 3kfd s VAL 98 Ca 0.13 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 3kfd s VAL 98 Cb -0.12 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3kfd s VAL 98 CO 0.03 0.40 0.39 -1.61 0.00 0.00 0.00 175.10 174.31 3kfd s GLU 99 N 0.45 1.54 -0.24 2.72 2.02 -0.79 -5.01 118.70 119.38 3kfd s GLU 99 Ca -0.13 -1.45 -0.02 0.00 0.02 0.00 0.00 54.97 53.39 3kfd s GLU 99 Cb -0.15 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.51 3kfd s GLU 99 CO 0.04 -0.61 -0.06 -0.65 0.02 0.00 0.00 175.26 174.00 3kfd s GLN 100 N -3.85 2.97 -0.58 1.61 -1.52 -1.26 -0.59 119.66 116.43 3kfd s GLN 100 Ca 0.28 -0.89 -0.26 0.00 -1.95 0.00 0.00 55.36 52.55 3kfd s GLN 100 Cb 0.01 -2.97 0.04 0.00 -0.22 0.00 0.00 33.01 29.87 3kfd s GLN 100 CO 0.12 -0.34 1.07 -0.51 -0.25 0.00 0.00 175.29 175.37 3kfd s LEU 101 N 1.36 3.79 0.38 2.90 1.43 -0.82 -4.84 118.68 122.88 3kfd s LEU 101 Ca 0.02 -0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.64 3kfd s LEU 101 Cb -0.16 -2.92 -0.09 0.00 0.03 0.00 0.00 46.19 43.04 3kfd s LEU 101 CO -0.05 -1.38 1.30 -0.94 0.23 0.00 0.00 176.35 175.51 3kfd s SER 102 N 2.99 6.49 -0.91 2.29 1.04 -1.26 -1.69 113.70 122.65 3kfd s SER 102 Ca 0.35 2.65 -0.04 0.00 0.48 0.00 0.00 55.95 59.39 3kfd s SER 102 Cb -0.10 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 3kfd s SER 102 CO 0.21 -0.72 0.80 0.59 0.98 0.00 0.00 173.24 175.10 3kfd n ASN 103 N 0.37 -7.05 0.00 7.02 3.02 -1.26 -4.89 115.26 112.47 3kfd n ASN 103 Ca 0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3kfd n ASN 103 Cb 0.43 -5.04 0.00 0.00 -0.61 0.00 0.00 39.78 34.56 3kfd n ASN 103 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3kfd n MET 104 N -2.61 1.15 -5.24 3.52 2.81 -0.67 -4.89 117.12 111.20 3kfd n MET 104 Ca -0.05 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.53 3kfd n MET 104 Cb 0.57 -0.90 -0.15 0.00 -0.71 0.00 0.00 33.22 32.02 3kfd n MET 104 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3kfd s ILE 105 N -1.62 2.22 -0.26 2.02 1.01 0.11 -4.69 121.20 119.99 3kfd s ILE 105 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 3kfd s ILE 105 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3kfd s ILE 105 CO 0.00 0.58 0.12 0.54 0.00 0.00 0.00 174.94 176.19 3kfd s VAL 106 N -0.63 4.78 -0.42 2.92 0.11 -0.96 0.88 120.40 127.08 3kfd s VAL 106 Ca 0.10 -0.01 0.20 0.00 -2.93 0.00 0.00 61.98 59.34 3kfd s VAL 106 Cb -0.10 -3.26 -0.27 0.00 -1.53 0.00 0.00 36.38 31.22 3kfd s VAL 106 CO -0.01 0.30 0.62 0.54 -3.33 0.00 0.00 175.10 173.22 3kfd n ARG 107 N 4.94 0.55 -3.65 1.54 5.12 0.20 -4.83 116.66 120.54 3kfd n ARG 107 Ca -0.15 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.56 3kfd n ARG 107 Cb 0.52 -1.46 -0.05 0.00 -1.16 0.00 0.00 32.46 30.31 3kfd n ARG 107 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kfd s SER 108 N -3.71 -0.22 0.40 0.55 1.04 -1.23 -1.40 113.70 109.13 3kfd s SER 108 Ca -0.01 -0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.11 3kfd s SER 108 Cb 0.14 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3kfd s SER 108 CO 0.83 -0.86 0.07 0.00 0.98 0.00 0.00 173.24 174.26 3kfd s LYS 110 N -3.81 1.05 -0.24 0.00 -2.85 0.15 -3.65 119.74 110.40 3kfd s LYS 110 Ca 0.27 -0.32 -0.13 0.00 -1.00 0.00 0.00 55.97 54.79 3kfd s LYS 110 Cb 0.06 0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 3kfd s LYS 110 CO 0.13 -0.45 0.27 0.00 0.10 0.00 0.00 175.35 175.41