#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 4.33 0.22 0.00 1.43 -1.25 -4.94 118.68 118.47 3kfd s LEU 2 Ca 0.00 2.28 -0.00 0.00 -1.03 0.00 0.00 54.13 55.38 3kfd s LEU 2 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3kfd s LEU 2 CO 0.00 -0.89 0.15 1.51 0.23 0.00 0.00 176.35 177.35 3kfd s ASP 3 N 2.91 0.33 0.24 2.29 1.47 -1.26 -0.19 116.67 122.46 3kfd s ASP 3 Ca 0.72 -1.43 -0.08 0.00 1.18 0.00 0.00 52.55 52.94 3kfd s ASP 3 Cb -0.35 0.40 0.41 0.00 -0.34 0.00 0.00 42.92 43.05 3kfd s ASP 3 CO 0.30 -0.87 1.63 0.74 0.68 0.00 0.00 175.17 177.65 3kfd h THR 4 N 2.56 0.32 -0.74 2.11 2.02 -1.38 -0.95 112.91 116.84 3kfd h THR 4 Ca -0.35 -0.03 0.12 0.00 0.77 0.00 0.00 66.41 66.92 3kfd h THR 4 Cb 1.25 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 67.81 3kfd h THR 4 CO 0.51 0.01 0.35 0.78 0.37 0.00 0.00 175.52 177.54 3kfd h ASN 5 N 0.08 0.41 0.54 4.18 2.35 -1.97 0.04 115.58 121.21 3kfd h ASN 5 Ca 0.40 0.08 -0.24 0.00 -0.55 0.00 0.00 56.30 55.99 3kfd h ASN 5 Cb 0.69 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3kfd h ASN 5 CO -0.69 0.20 -1.07 0.22 -1.65 0.00 0.00 177.43 174.44 3kfd h TYR 6 N 0.55 0.48 0.00 1.19 3.20 -1.58 -3.32 116.97 117.49 3kfd h TYR 6 Ca 0.39 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3kfd h TYR 6 Cb 0.50 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3kfd h TYR 6 CO -0.13 1.18 -1.67 0.00 -1.64 0.00 0.00 178.16 175.90 3kfd h PHE 8 N 0.00 0.00 0.04 0.00 -1.00 -1.16 -3.31 116.94 111.51 3kfd h PHE 8 Ca 0.00 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 3kfd h PHE 8 Cb 0.81 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.34 3kfd h PHE 8 CO 0.00 0.07 -1.71 0.66 -1.61 0.00 0.00 178.31 175.72 3kfd h SER 9 N 0.00 0.12 -0.24 2.17 4.64 -1.69 -3.49 113.55 115.06 3kfd h SER 9 Ca -0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kfd h SER 9 Cb 1.05 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kfd h SER 9 CO 0.01 1.22 0.00 -1.54 -0.87 0.00 0.00 176.83 175.65 3kfd n SER 10 N -3.19 0.37 -3.19 4.97 3.41 -1.20 -5.13 113.62 109.65 3kfd n SER 10 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.43 3kfd n SER 10 Cb 1.04 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.98 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 1.91 -0.98 -1.58 6.66 -1.32 -1.26 -4.88 115.64 114.20 3kfd s THR 11 Ca 0.00 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 3kfd s THR 11 Cb 0.00 -0.06 0.02 0.00 -1.51 0.00 0.00 72.50 70.95 3kfd s THR 11 CO 0.00 0.00 1.23 1.21 -2.21 0.00 0.00 174.62 174.85 3kfd n GLU 12 N 4.46 0.66 -2.07 7.08 4.07 -1.26 -4.93 120.64 128.65 3kfd n GLU 12 Ca 0.10 -0.49 -0.01 0.00 -0.06 0.00 0.00 57.16 56.70 3kfd n GLU 12 Cb 0.57 -1.49 -0.00 0.00 -0.06 0.00 0.00 31.44 30.46 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 -0.74 -2.39 -4.27 5.31 4.81 -1.26 -4.86 118.16 114.76 3kfd n LYS 13 Ca 0.08 0.04 -0.18 0.00 -0.87 0.00 0.00 58.31 57.39 3kfd n LYS 13 Cb 0.39 -4.41 -0.11 0.00 0.02 0.00 0.00 35.03 30.92 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 -1.73 2.11 -0.18 3.14 3.84 -1.26 -4.60 114.94 116.27 3kfd s ASN 14 Ca 0.00 -0.89 -0.16 0.00 0.21 0.00 0.00 52.86 52.02 3kfd s ASN 14 Cb 0.00 -0.08 -0.07 0.00 -0.55 0.00 0.00 41.25 40.55 3kfd s ASN 14 CO 0.00 -0.17 0.64 0.00 -2.79 0.00 0.00 177.10 174.77 3kfd s VAL 17 N -2.01 3.28 0.92 0.00 -7.23 -1.26 -1.75 120.40 112.35 3kfd s VAL 17 Ca 0.14 0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 60.44 3kfd s VAL 17 Cb 0.06 -3.37 0.21 0.00 0.56 0.00 0.00 36.38 33.83 3kfd s VAL 17 CO -0.06 -0.24 1.26 0.54 -0.31 0.00 0.00 175.10 176.29 3kfd n ARG 18 N 8.57 -1.20 -4.52 4.82 5.12 0.18 -4.76 116.66 124.88 3kfd n ARG 18 Ca 0.26 -1.98 -0.33 0.00 -1.93 0.00 0.00 57.85 53.86 3kfd n ARG 18 Cb 0.46 -1.28 -0.13 0.00 -1.16 0.00 0.00 32.46 30.35 3kfd n ARG 18 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3kfd s GLN 19 N -5.74 3.58 -0.01 5.56 0.74 -1.26 -3.12 119.66 119.41 3kfd s GLN 19 Ca 0.72 -0.57 -0.00 0.00 0.05 0.00 0.00 55.36 55.55 3kfd s GLN 19 Cb -0.02 -2.83 0.01 0.00 1.10 0.00 0.00 33.01 31.28 3kfd s GLN 19 CO 0.50 0.23 0.02 -1.17 -0.55 0.00 0.00 175.29 174.33 3kfd s LEU 20 N 0.36 1.60 -0.07 3.68 2.96 -1.26 -4.87 118.68 121.08 3kfd s LEU 20 Ca -0.06 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 3kfd s LEU 20 Cb -0.15 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 3kfd s LEU 20 CO 0.04 -0.05 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.44 3kfd s TYR 21 N 0.42 2.84 -0.24 5.38 5.04 -1.26 -1.50 117.35 128.02 3kfd s TYR 21 Ca -0.03 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.51 3kfd s TYR 21 Cb -0.05 -1.70 0.06 0.00 0.35 0.00 0.00 41.96 40.62 3kfd s TYR 21 CO -0.01 0.22 -0.10 0.42 -1.34 0.00 0.00 175.55 174.74 3kfd s ILE 22 N -0.66 1.89 -0.20 3.14 1.01 -0.39 -4.92 121.20 121.08 3kfd s ILE 22 Ca 0.10 -1.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 3kfd s ILE 22 Cb -0.11 -2.03 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 3kfd s ILE 22 CO 0.01 0.00 0.96 -0.62 0.00 0.00 0.00 174.94 175.29 3kfd s ASP 23 N 1.24 7.05 0.22 3.58 -1.08 -1.26 -2.47 116.67 123.95 3kfd s ASP 23 Ca -0.06 1.30 -0.09 0.00 -0.52 0.00 0.00 52.55 53.18 3kfd s ASP 23 Cb -0.19 -2.51 0.18 0.00 -1.46 0.00 0.00 42.92 38.95 3kfd s ASP 23 CO -0.06 -0.56 1.88 -0.26 0.52 0.00 0.00 175.17 176.69 3kfd h PHE 24 N 7.42 1.07 0.00 -5.34 0.04 -1.74 0.31 116.94 118.69 3kfd h PHE 24 Ca -0.24 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.54 3kfd h PHE 24 Cb 1.09 -0.36 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 3kfd h PHE 24 CO 0.74 0.70 -0.19 0.00 -0.60 0.00 0.00 178.31 178.96 3kfd h ARG 25 N 1.13 0.00 0.00 1.51 3.08 -1.78 0.32 114.38 118.64 3kfd h ARG 25 Ca 0.30 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3kfd h ARG 25 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3kfd h ARG 25 CO -0.06 0.01 -1.06 1.63 -1.07 0.00 0.00 179.97 179.42 3kfd n LYS 26 N -3.03 0.26 -0.13 0.04 5.02 -1.12 -4.00 118.16 115.19 3kfd n LYS 26 Ca 0.03 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 3kfd n LYS 26 Cb 0.54 -1.03 -0.11 0.00 -0.02 0.00 0.00 35.03 34.41 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 -1.57 1.97 -0.06 4.39 8.00 0.11 -4.68 116.55 124.71 3kfd n ASP 27 Ca -0.00 0.06 -0.01 0.00 0.71 0.00 0.00 54.79 55.54 3kfd n ASP 27 Cb 0.06 -0.58 -0.15 0.00 -0.02 0.00 0.00 41.12 40.43 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 -3.67 0.00 0.00 0.64 4.77 -1.18 -5.01 117.00 112.56 3kfd n LEU 28 Ca -0.50 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3kfd n LEU 28 Cb 0.95 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.31 3kfd n LEU 28 CO 0.17 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kfd n GLY 29 N 1.65 0.41 3.75 -0.72 0.00 0.68 -5.00 105.19 105.96 3kfd n GLY 29 Ca -0.19 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 3.67 -0.01 1.61 0.51 0.78 -4.92 118.94 118.58 3kfd s TRP 30 Ca 0.00 1.24 0.02 0.00 -2.12 0.00 0.00 56.10 55.24 3kfd s TRP 30 Cb 0.00 -2.68 0.02 0.00 -0.81 0.00 0.00 33.47 30.01 3kfd s TRP 30 CO 0.00 0.28 0.94 1.63 -0.51 0.00 0.00 176.95 179.30 3kfd n LYS 31 N 2.96 2.38 -0.00 4.98 5.02 -1.26 -3.25 118.16 128.98 3kfd n LYS 31 Ca -0.05 -1.44 0.11 0.00 -2.02 0.00 0.00 58.31 54.91 3kfd n LYS 31 Cb 0.51 -0.96 0.10 0.00 -0.02 0.00 0.00 35.03 34.65 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 -0.50 0.01 -3.48 2.13 4.27 -1.26 -4.84 117.44 113.78 3kfd n TRP 32 Ca 0.01 -0.01 -0.43 0.00 -3.89 0.00 0.00 57.50 53.19 3kfd n TRP 32 Cb 0.33 -0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.17 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 -1.89 5.22 0.25 -1.67 1.01 -1.26 -4.55 121.20 118.30 3kfd s ILE 33 Ca 0.27 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3kfd s ILE 33 Cb 0.19 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3kfd s ILE 33 CO 0.29 -0.27 1.60 -0.74 0.00 0.00 0.00 174.94 175.81 3kfd h HIS 34 N 8.60 0.31 -1.55 3.97 -0.00 -1.75 -3.45 115.15 121.28 3kfd h HIS 34 Ca -0.27 -0.11 0.08 0.00 -0.00 0.00 0.00 60.37 60.06 3kfd h HIS 34 Cb 1.12 -0.06 -0.27 0.00 -0.00 0.00 0.00 27.41 28.20 3kfd h HIS 34 CO 0.56 0.74 0.49 -2.00 -0.00 0.00 0.00 177.93 177.73 3kfd s GLU 35 N -3.88 0.46 0.86 5.26 2.56 -0.88 -4.67 118.70 118.40 3kfd s GLU 35 Ca -0.04 0.55 -0.12 0.00 0.00 0.00 0.00 54.97 55.36 3kfd s GLU 35 Cb 0.12 0.22 0.11 0.00 2.00 0.00 0.00 34.13 36.58 3kfd s GLU 35 CO 0.79 -0.06 1.13 -2.14 -0.56 0.00 0.00 175.26 174.43 3kfd s PRO 36 N 0.26 1.59 0.24 4.30 0.02 -1.26 0.41 135.00 140.56 3kfd s PRO 36 Ca 0.03 0.37 0.25 0.00 0.02 0.00 0.00 61.00 61.67 3kfd s PRO 36 Cb -0.05 -1.88 0.64 0.00 0.02 0.00 0.00 34.50 33.23 3kfd s PRO 36 CO -0.08 -1.90 1.67 0.87 -0.33 0.00 0.00 177.00 177.23 3kfd h LYS 37 N -1.29 0.00 -2.03 5.54 1.57 -1.87 -3.48 116.57 115.02 3kfd h LYS 37 Ca -0.49 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 58.53 3kfd h LYS 37 Cb 1.31 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.53 3kfd h LYS 37 CO 0.62 0.00 0.63 0.20 -0.57 0.00 0.00 179.45 180.33 3kfd s GLY 38 N -3.72 -0.26 0.00 3.86 0.00 -1.26 -2.13 107.32 103.80 3kfd s GLY 38 Ca 0.09 0.28 -0.28 0.00 0.00 0.00 0.00 44.72 44.81 3kfd s GLY 38 CO 0.63 0.43 0.72 -2.52 0.00 0.00 0.00 173.10 172.36 3kfd s TYR 39 N -2.83 -0.55 -0.64 1.90 1.13 -1.03 -4.99 117.35 110.33 3kfd s TYR 39 Ca 0.14 0.73 -0.26 0.00 -1.41 0.00 0.00 57.07 56.27 3kfd s TYR 39 Cb 0.01 0.47 0.04 0.00 -1.10 0.00 0.00 41.96 41.38 3kfd s TYR 39 CO 0.00 -0.64 1.15 -1.01 -2.51 0.00 0.00 175.55 172.55 3kfd s HIS 40 N -2.13 2.53 -0.18 -3.49 3.76 -1.26 -1.26 115.29 113.26 3kfd s HIS 40 Ca -0.05 0.05 0.20 0.00 -0.15 0.00 0.00 55.06 55.11 3kfd s HIS 40 Cb -0.00 -4.45 -0.07 0.00 1.11 0.00 0.00 32.58 29.17 3kfd s HIS 40 CO 0.00 -1.73 0.94 0.00 -0.85 0.00 0.00 174.74 173.10 3kfd n ALA 41 N 8.51 2.24 -1.12 -1.40 0.00 -0.56 -4.77 120.51 123.40 3kfd n ALA 41 Ca 0.04 -0.38 0.10 0.00 0.00 0.00 0.00 53.44 53.20 3kfd n ALA 41 Cb 0.48 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.78 -6.67 -3.63 0.00 3.02 -0.58 -2.97 115.26 101.66 3kfd n ASN 42 Ca -0.05 0.82 -0.05 0.00 -0.03 0.00 0.00 54.58 55.27 3kfd n ASN 42 Cb 0.69 -2.33 -0.02 0.00 -0.61 0.00 0.00 39.78 37.51 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 -1.23 -0.19 -0.14 3.10 -0.71 -1.18 -4.65 117.98 112.98 3kfd s PHE 43 Ca 0.00 -0.00 -0.06 0.00 -1.04 0.00 0.00 56.93 55.83 3kfd s PHE 43 Cb 0.00 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.35 3kfd s PHE 43 CO 0.00 -0.59 0.07 0.00 -1.34 0.00 0.00 175.22 173.36 3kfd s LEU 45 N -0.35 -0.05 0.00 0.00 2.96 -0.72 -4.85 118.68 115.68 3kfd s LEU 45 Ca 0.09 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 3kfd s LEU 45 Cb -0.12 2.01 0.00 0.00 0.50 0.00 0.00 46.19 48.58 3kfd s LEU 45 CO 0.02 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.14 3kfd n GLY 46 N 1.20 3.61 3.65 7.98 0.00 -1.26 -0.93 105.19 119.43 3kfd n GLY 46 Ca -0.20 -1.74 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.52 0.19 -0.49 1.61 0.04 -1.26 -3.70 135.00 127.87 3kfd s PRO 47 Ca 0.00 0.52 0.03 0.00 0.04 0.00 0.00 61.00 61.59 3kfd s PRO 47 Cb 0.00 -1.71 0.16 0.00 0.04 0.00 0.00 34.50 32.99 3kfd s PRO 47 CO 0.00 -2.89 0.33 0.00 0.04 0.00 0.00 177.00 174.48 3kfd s PRO 49 N -0.15 -1.85 0.23 0.00 0.04 -1.26 -4.66 135.00 127.34 3kfd s PRO 49 Ca 0.24 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 3kfd s PRO 49 Cb -0.10 -1.48 -0.10 0.00 0.04 0.00 0.00 34.50 32.86 3kfd s PRO 49 CO -0.10 -4.22 1.43 -0.47 0.04 0.00 0.00 177.00 173.68 3kfd s TYR 50 N -2.47 3.06 -0.69 0.56 5.04 -1.26 -3.45 117.35 118.13 3kfd s TYR 50 Ca 0.69 1.02 -0.08 0.00 -2.44 0.00 0.00 57.07 56.25 3kfd s TYR 50 Cb -0.17 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.35 3kfd s TYR 50 CO 0.60 -2.62 0.64 -0.89 -1.34 0.00 0.00 175.55 171.95 3kfd n ILE 51 N 2.57 -6.72 -3.25 3.14 5.41 -1.26 -5.00 119.36 114.24 3kfd n ILE 51 Ca 0.07 0.04 -0.21 0.00 1.00 0.00 0.00 62.75 63.65 3kfd n ILE 51 Cb 0.40 -4.93 -0.08 0.00 -0.71 0.00 0.00 39.64 34.33 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 -2.73 0.37 -1.29 1.39 -0.11 -1.22 -4.90 118.94 110.44 3kfd s TRP 52 Ca 0.09 -1.80 -0.01 0.00 1.22 0.00 0.00 56.10 55.60 3kfd s TRP 52 Cb -0.01 -0.60 -0.00 0.00 -1.50 0.00 0.00 33.47 31.35 3kfd s TRP 52 CO 0.83 -0.94 0.72 0.45 -4.62 0.00 0.00 176.95 173.39 3kfd n SER 53 N 3.03 -1.40 -4.65 5.86 2.88 -1.26 -4.61 113.62 113.48 3kfd n SER 53 Ca 0.25 -0.82 -0.43 0.00 -1.33 0.00 0.00 58.87 56.54 3kfd n SER 53 Cb 0.49 -4.10 -0.02 0.00 -0.75 0.00 0.00 64.21 59.83 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 -6.63 4.01 0.09 2.46 1.43 -1.26 -1.72 118.68 117.06 3kfd s LEU 54 Ca 0.02 1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 54.08 3kfd s LEU 54 Cb -0.01 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.53 3kfd s LEU 54 CO 0.81 -0.78 1.70 -0.78 0.23 0.00 0.00 176.35 177.52 3kfd h ASP 55 N 7.80 -0.29 -5.03 2.29 3.58 -1.65 -3.47 116.42 119.66 3kfd h ASP 55 Ca -0.20 0.02 -0.35 0.00 0.42 0.00 0.00 57.03 56.93 3kfd h ASP 55 Cb 1.06 0.09 -0.14 0.00 1.72 0.00 0.00 39.33 42.06 3kfd h ASP 55 CO 1.01 -0.18 -0.59 0.28 -2.88 0.00 0.00 179.24 176.88 3kfd s THR 56 N -6.15 0.26 0.21 2.25 -1.32 -1.26 -5.02 115.64 104.62 3kfd s THR 56 Ca -0.14 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.18 3kfd s THR 56 Cb 0.06 -2.54 0.22 0.00 -1.51 0.00 0.00 72.50 68.72 3kfd s THR 56 CO 0.65 0.00 1.60 1.56 -2.21 0.00 0.00 174.62 176.23 3kfd h GLN 57 N 2.38 -0.06 -0.87 7.08 1.08 -2.00 -0.61 115.11 122.11 3kfd h GLN 57 Ca -0.35 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.90 3kfd h GLN 57 Cb 1.25 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.64 3kfd h GLN 57 CO 0.53 -0.04 0.55 -0.92 -0.95 0.00 0.00 178.83 178.01 3kfd h TYR 58 N -0.06 1.04 -0.71 2.96 3.20 -1.99 -1.37 116.97 120.03 3kfd h TYR 58 Ca 0.29 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.25 3kfd h TYR 58 Cb 0.52 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 3kfd h TYR 58 CO -0.59 0.58 0.41 0.77 -1.64 0.00 0.00 178.16 177.69 3kfd h SER 59 N 1.06 0.61 -0.52 -2.11 0.02 -1.44 0.14 113.55 111.32 3kfd h SER 59 Ca 0.35 0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 61.28 3kfd h SER 59 Cb 0.04 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3kfd h SER 59 CO -0.13 0.40 0.15 0.11 -1.14 0.00 0.00 176.83 176.21 3kfd h LYS 60 N 0.75 0.88 0.15 3.45 1.57 -0.55 -0.89 116.57 121.93 3kfd h LYS 60 Ca 0.31 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3kfd h LYS 60 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kfd h LYS 60 CO -0.18 0.78 -0.07 0.28 -0.57 0.00 0.00 179.45 179.69 3kfd h VAL 61 N 0.84 0.96 -0.98 0.50 2.07 -0.18 -0.97 116.25 118.51 3kfd h VAL 61 Ca 0.19 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kfd h VAL 61 Cb 0.29 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 3kfd h VAL 61 CO -0.00 0.12 0.64 -0.07 0.02 0.00 0.00 177.57 178.28 3kfd h LEU 62 N -0.46 1.02 0.59 2.57 3.38 -0.63 0.25 115.31 122.03 3kfd h LEU 62 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kfd h LEU 62 Cb 0.36 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3kfd h LEU 62 CO 0.03 0.67 -0.28 0.00 0.09 0.00 0.00 178.44 178.95 3kfd h ALA 63 N 1.46 -0.79 -0.40 1.53 0.00 -1.10 0.23 119.26 120.19 3kfd h ALA 63 Ca 0.41 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3kfd h ALA 63 Cb 0.13 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kfd h ALA 63 CO -0.15 -0.93 0.28 -0.07 0.00 0.00 0.00 179.25 178.37 3kfd h LEU 64 N -0.82 0.16 0.09 0.00 3.38 -0.62 -1.33 115.31 116.16 3kfd h LEU 64 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kfd h LEU 64 Cb 0.62 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kfd h LEU 64 CO 0.13 0.10 -0.04 0.22 0.09 0.00 0.00 178.44 178.94 3kfd h TYR 65 N 0.17 -0.11 0.00 1.13 5.03 -0.15 -2.89 116.97 120.15 3kfd h TYR 65 Ca 0.18 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 3kfd h TYR 65 Cb 0.51 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.82 3kfd h TYR 65 CO -0.00 0.28 0.00 -1.71 -1.32 0.00 0.00 178.16 175.41 3kfd n ASN 66 N -4.95 0.41 -0.01 -2.11 5.15 0.04 -0.75 115.26 113.03 3kfd n ASN 66 Ca -0.09 0.63 -0.18 0.00 -0.60 0.00 0.00 54.58 54.35 3kfd n ASN 66 Cb 0.23 -0.71 -0.14 0.00 -0.53 0.00 0.00 39.78 38.64 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 0.17 0.00 1.20 4.15 -1.14 -3.31 115.11 116.18 3kfd h GLN 67 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3kfd h GLN 67 Cb 0.19 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3kfd h GLN 67 CO 0.00 1.14 -0.01 0.72 -1.93 0.00 0.00 178.83 178.74 3kfd n HIS 68 N -4.29 0.52 -3.79 3.99 8.25 -0.99 -4.58 115.22 114.33 3kfd n HIS 68 Ca -0.15 0.15 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 3kfd n HIS 68 Cb 0.70 -0.74 -0.16 0.00 1.12 0.00 0.00 29.99 30.91 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 -3.86 3.55 0.21 0.41 0.01 0.07 -5.10 114.94 110.22 3kfd s ASN 69 Ca 0.12 -1.21 -0.30 0.00 -0.71 0.00 0.00 52.86 50.76 3kfd s ASN 69 Cb 0.15 -0.84 -0.08 0.00 0.41 0.00 0.00 41.25 40.89 3kfd s ASN 69 CO 0.57 -0.33 1.09 -2.84 -1.51 0.00 0.00 177.10 174.08 3kfd s PRO 70 N 1.65 4.63 -1.51 -0.60 0.02 -1.26 -3.51 135.00 134.43 3kfd s PRO 70 Ca 0.02 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 3kfd s PRO 70 Cb -0.18 -3.25 0.08 0.00 0.02 0.00 0.00 34.50 31.17 3kfd s PRO 70 CO -0.13 0.16 0.90 0.41 -0.33 0.00 0.00 177.00 178.00 3kfd n GLY 71 N 1.73 -0.50 0.03 0.52 0.00 -1.26 -4.84 105.19 100.87 3kfd n GLY 71 Ca 0.01 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -4.45 1.81 -0.43 4.61 0.00 -1.23 -4.85 120.51 115.97 3kfd n ALA 72 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kfd n ALA 72 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.70 0.00 -4.06 0.00 2.88 -1.26 -4.93 113.62 104.55 3kfd n SER 73 Ca 0.04 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.26 3kfd n SER 73 Cb 0.23 -0.80 -0.15 0.00 -0.75 0.00 0.00 64.21 62.74 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 -2.54 2.80 0.03 -1.46 0.00 -1.26 -5.08 121.76 114.25 3kfd s ALA 74 Ca 0.00 -2.21 -0.25 0.00 0.00 0.00 0.00 51.96 49.50 3kfd s ALA 74 Cb 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.31 3kfd s ALA 74 CO 0.00 -1.50 0.58 0.00 0.00 0.00 0.00 175.76 174.85 3kfd s ALA 75 N 1.02 -1.51 0.33 0.00 0.00 -1.26 -4.22 121.76 116.13 3kfd s ALA 75 Ca 0.03 0.81 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 3kfd s ALA 75 Cb -0.20 0.33 -0.13 0.00 0.00 0.00 0.00 23.12 23.13 3kfd s ALA 75 CO -0.06 -0.50 1.05 -2.30 0.00 0.00 0.00 175.76 173.95 3kfd n PRO 76 N 0.46 1.47 -4.80 0.00 -0.02 -1.26 -4.96 135.00 125.89 3kfd n PRO 76 Ca -0.18 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 3kfd n PRO 76 Cb 0.60 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.98 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 6.16 0.37 0.60 0.00 -7.23 0.56 -4.54 120.40 116.32 3kfd s VAL 79 Ca 0.57 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.77 3kfd s VAL 79 Cb -0.12 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 3kfd s VAL 79 CO 0.27 -0.28 0.94 -0.81 -0.31 0.00 0.00 175.10 174.91 3kfd n PRO 80 N 1.92 0.89 0.00 4.82 -0.04 -1.26 -0.73 135.00 140.60 3kfd n PRO 80 Ca -0.20 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3kfd n PRO 80 Cb 0.56 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 -0.93 0.00 -3.92 0.54 7.27 0.14 -4.69 117.38 115.79 3kfd n GLN 81 Ca 0.13 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.86 3kfd n GLN 81 Cb 0.47 -0.92 -0.14 0.00 2.41 0.00 0.00 30.24 32.06 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 -1.98 2.80 0.05 1.69 0.00 -1.21 -4.99 121.76 118.11 3kfd s ALA 82 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.22 3kfd s ALA 82 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 3kfd s ALA 82 CO 0.00 -1.25 0.15 -0.51 0.00 0.00 0.00 175.76 174.15 3kfd s LEU 83 N 1.25 4.13 0.03 0.00 1.02 -1.26 -0.84 118.68 123.01 3kfd s LEU 83 Ca -0.05 0.18 0.04 0.00 0.02 0.00 0.00 54.13 54.32 3kfd s LEU 83 Cb -0.20 -2.66 -0.02 0.00 0.02 0.00 0.00 46.19 43.33 3kfd s LEU 83 CO -0.01 0.20 -0.12 -1.61 0.02 0.00 0.00 176.35 174.82 3kfd s GLU 84 N -2.27 0.84 0.76 1.70 2.02 0.30 -4.74 118.70 117.31 3kfd s GLU 84 Ca 0.30 -0.70 -0.14 0.00 0.02 0.00 0.00 54.97 54.45 3kfd s GLU 84 Cb -0.13 -0.81 0.06 0.00 0.10 0.00 0.00 34.13 33.35 3kfd s GLU 84 CO 0.23 0.20 1.18 -1.25 0.02 0.00 0.00 175.26 175.64 3kfd s PRO 85 N -1.09 2.00 -0.23 0.39 0.04 -1.26 -0.90 135.00 133.95 3kfd s PRO 85 Ca 0.00 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.68 3kfd s PRO 85 Cb -0.08 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.71 3kfd s PRO 85 CO 0.01 -1.92 0.05 -1.17 0.04 0.00 0.00 177.00 174.01 3kfd s LEU 86 N -5.44 1.42 0.18 -3.56 2.96 0.02 -4.77 118.68 109.49 3kfd s LEU 86 Ca 0.72 -1.05 -0.31 0.00 -0.22 0.00 0.00 54.13 53.27 3kfd s LEU 86 Cb -0.27 -0.66 -0.10 0.00 0.50 0.00 0.00 46.19 45.67 3kfd s LEU 86 CO 0.48 -0.34 1.51 -2.16 -1.32 0.00 0.00 176.35 174.52 3kfd s PRO 87 N 1.81 4.24 0.13 0.98 0.04 -1.26 -1.54 135.00 139.40 3kfd s PRO 87 Ca 0.02 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.38 3kfd s PRO 87 Cb -0.17 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3kfd s PRO 87 CO -0.14 -0.54 -0.03 0.96 0.04 0.00 0.00 177.00 177.29 3kfd s ILE 88 N 0.86 0.66 -0.23 0.56 -4.36 0.48 -4.60 121.20 114.57 3kfd s ILE 88 Ca 0.67 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 59.12 3kfd s ILE 88 Cb -0.42 -1.86 0.06 0.00 1.25 0.00 0.00 42.46 41.48 3kfd s ILE 88 CO 0.34 -0.70 -0.08 -0.69 0.24 0.00 0.00 174.94 174.05 3kfd s VAL 89 N -3.66 1.68 0.01 8.37 1.01 0.17 -1.71 120.40 126.27 3kfd s VAL 89 Ca 0.17 -1.25 0.05 0.00 0.00 0.00 0.00 61.98 60.95 3kfd s VAL 89 Cb 0.06 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3kfd s VAL 89 CO -0.01 -0.02 -0.17 -0.72 0.00 0.00 0.00 175.10 174.18 3kfd s TYR 90 N 1.34 1.47 -0.30 5.22 1.13 -0.54 -2.08 117.35 123.58 3kfd s TYR 90 Ca -0.05 -0.31 -0.20 0.00 -1.41 0.00 0.00 57.07 55.10 3kfd s TYR 90 Cb -0.18 -0.92 -0.01 0.00 -1.10 0.00 0.00 41.96 39.75 3kfd s TYR 90 CO -0.06 0.01 0.62 0.71 -2.51 0.00 0.00 175.55 174.31 3kfd s TYR 91 N -0.55 3.22 -0.95 -3.49 2.02 -1.26 -1.76 117.35 114.58 3kfd s TYR 91 Ca 0.06 0.59 -0.14 0.00 -0.37 0.00 0.00 57.07 57.21 3kfd s TYR 91 Cb -0.07 -2.96 0.21 0.00 -0.40 0.00 0.00 41.96 38.74 3kfd s TYR 91 CO 0.00 -0.45 0.99 0.08 -1.57 0.00 0.00 175.55 174.60 3kfd s VAL 92 N 2.57 5.46 0.00 0.71 1.01 -0.88 -4.91 120.40 124.37 3kfd s VAL 92 Ca 0.25 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.71 3kfd s VAL 92 Cb -0.15 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.62 3kfd s VAL 92 CO 0.11 -1.23 0.00 0.61 0.00 0.00 0.00 175.10 174.60 3kfd n GLY 93 N 4.01 1.63 0.01 4.51 0.00 -1.26 -3.37 105.19 110.72 3kfd n GLY 93 Ca 0.21 -0.64 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3kfd n GLY 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kfd n ARG 94 N 4.82 0.61 -2.64 1.61 0.63 -1.26 -4.94 116.66 115.48 3kfd n ARG 94 Ca 0.00 -0.16 -0.43 0.00 -0.92 0.00 0.00 57.85 56.34 3kfd n ARG 94 Cb 0.00 -1.44 -0.02 0.00 0.45 0.00 0.00 32.46 31.45 3kfd n ARG 94 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3kfd s LYS 95 N -3.26 4.22 -0.29 -0.14 -0.14 -1.22 -5.00 119.74 113.92 3kfd s LYS 95 Ca -0.05 1.32 -0.29 0.00 -1.36 0.00 0.00 55.97 55.59 3kfd s LYS 95 Cb 0.12 -3.67 -0.02 0.00 -1.68 0.00 0.00 37.83 32.59 3kfd s LYS 95 CO 0.79 -0.69 1.66 -2.14 -0.76 0.00 0.00 175.35 174.21 3kfd s PRO 96 N 3.31 3.59 -0.07 -1.68 0.02 -1.26 -2.07 135.00 136.83 3kfd s PRO 96 Ca 0.45 1.48 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 3kfd s PRO 96 Cb -0.15 -4.10 -0.03 0.00 0.02 0.00 0.00 34.50 30.24 3kfd s PRO 96 CO 0.08 -1.55 0.01 0.21 -0.33 0.00 0.00 177.00 175.42 3kfd s LYS 97 N 5.10 2.97 -0.04 5.54 2.20 -0.72 -4.99 119.74 129.79 3kfd s LYS 97 Ca 0.73 -0.43 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 3kfd s LYS 97 Cb -0.22 -2.79 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3kfd s LYS 97 CO 0.32 0.69 -0.18 0.08 -0.36 0.00 0.00 175.35 175.90 3kfd s VAL 98 N -0.93 1.47 0.19 4.02 1.01 -1.26 -1.47 120.40 123.42 3kfd s VAL 98 Ca 0.15 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3kfd s VAL 98 Cb -0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3kfd s VAL 98 CO 0.04 0.42 0.25 -1.61 0.00 0.00 0.00 175.10 174.21 3kfd s GLU 99 N 0.02 1.23 -0.28 2.72 2.02 -0.69 -5.00 118.70 118.71 3kfd s GLU 99 Ca -0.04 -1.35 -0.02 0.00 0.02 0.00 0.00 54.97 53.58 3kfd s GLU 99 Cb -0.12 0.35 0.04 0.00 0.10 0.00 0.00 34.13 34.50 3kfd s GLU 99 CO 0.02 -0.44 -0.01 -0.65 0.02 0.00 0.00 175.26 174.20 3kfd s GLN 100 N -4.04 2.65 -0.45 1.61 -1.52 -1.26 -0.39 119.66 116.26 3kfd s GLN 100 Ca 0.25 -1.12 -0.28 0.00 -1.95 0.00 0.00 55.36 52.27 3kfd s GLN 100 Cb 0.04 -3.13 0.03 0.00 -0.22 0.00 0.00 33.01 29.73 3kfd s GLN 100 CO 0.06 -0.52 1.06 -0.51 -0.25 0.00 0.00 175.29 175.12 3kfd s LEU 101 N 1.31 3.80 0.42 2.90 1.43 -0.59 -4.82 118.68 123.13 3kfd s LEU 101 Ca -0.02 0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 53.29 3kfd s LEU 101 Cb -0.18 -3.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3kfd s LEU 101 CO -0.02 -1.12 1.09 -0.94 0.23 0.00 0.00 176.35 175.59 3kfd s SER 102 N 2.26 6.55 -1.09 2.29 1.04 -1.26 -0.80 113.70 122.70 3kfd s SER 102 Ca 0.44 2.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.89 3kfd s SER 102 Cb -0.09 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.39 3kfd s SER 102 CO 0.27 -0.64 0.87 0.59 0.98 0.00 0.00 173.24 175.31 3kfd n ASN 103 N -0.22 -5.97 -0.01 7.02 3.02 -1.25 -4.90 115.26 112.96 3kfd n ASN 103 Ca 0.06 -0.82 -0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3kfd n ASN 103 Cb 0.49 -4.53 -0.02 0.00 -0.61 0.00 0.00 39.78 35.12 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 -3.62 2.10 -4.96 3.52 2.81 -0.76 -4.88 117.12 111.33 3kfd n MET 104 Ca -0.09 -0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.47 3kfd n MET 104 Cb 0.61 -1.05 -0.14 0.00 -0.71 0.00 0.00 33.22 31.94 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 -2.09 2.89 -0.20 2.02 1.01 -0.08 -4.69 121.20 120.06 3kfd s ILE 105 Ca -0.01 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.78 3kfd s ILE 105 Cb 0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3kfd s ILE 105 CO 0.08 0.59 0.05 0.54 0.00 0.00 0.00 174.94 176.20 3kfd s VAL 106 N -0.67 4.49 -0.11 2.92 0.11 -1.16 0.11 120.40 126.09 3kfd s VAL 106 Ca 0.10 -0.13 0.12 0.00 -2.93 0.00 0.00 61.98 59.15 3kfd s VAL 106 Cb -0.11 -3.04 -0.18 0.00 -1.53 0.00 0.00 36.38 31.52 3kfd s VAL 106 CO 0.00 0.42 0.31 0.54 -3.33 0.00 0.00 175.10 173.05 3kfd n ARG 107 N 4.02 0.80 -3.83 1.54 5.12 -0.02 -4.82 116.66 119.46 3kfd n ARG 107 Ca -0.16 -0.10 -0.10 0.00 -1.93 0.00 0.00 57.85 55.56 3kfd n ARG 107 Cb 0.52 -1.26 -0.08 0.00 -1.16 0.00 0.00 32.46 30.48 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 -3.23 0.03 0.39 0.55 1.04 -1.23 -0.91 113.70 110.34 3kfd s SER 108 Ca -0.03 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.03 3kfd s SER 108 Cb 0.08 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.46 3kfd s SER 108 CO 0.52 -0.61 0.04 0.00 0.98 0.00 0.00 173.24 174.17 3kfd s LYS 110 N -3.81 1.06 -0.22 0.00 -2.85 0.10 -3.79 119.74 110.24 3kfd s LYS 110 Ca 0.29 -0.26 -0.15 0.00 -1.00 0.00 0.00 55.97 54.85 3kfd s LYS 110 Cb 0.07 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.29 3kfd s LYS 110 CO 0.14 -0.44 0.36 0.00 0.10 0.00 0.00 175.35 175.51