#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfd n LEU 10 N 0.00 0.00 -3.15 0.00 7.94 -0.52 -4.96 117.00 116.30 3kfd n LEU 10 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 54.96 3kfd n LEU 10 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3kfd n LEU 10 CO 0.00 -0.18 0.62 -1.58 -1.11 0.00 0.00 177.39 175.14 3kfd s GLN 11 N 0.00 0.12 0.48 1.96 0.74 -1.26 -4.35 119.66 117.35 3kfd s GLN 11 Ca 0.00 0.18 0.06 0.00 0.05 0.00 0.00 55.36 55.65 3kfd s GLN 11 Cb 0.00 0.09 -0.00 0.00 1.10 0.00 0.00 33.01 34.20 3kfd s GLN 11 CO 0.00 -0.17 0.32 0.00 -0.55 0.00 0.00 175.29 174.90 3kfd s PHE 13 N -2.67 3.26 0.12 0.00 2.19 -1.26 -1.96 117.98 117.66 3kfd s PHE 13 Ca 0.38 0.33 0.04 0.00 0.33 0.00 0.00 56.93 58.01 3kfd s PHE 13 Cb -0.01 -2.47 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 3kfd s PHE 13 CO 0.22 -0.15 0.09 0.00 1.83 0.00 0.00 175.22 177.22 3kfd n HIS 15 N 0.09 0.00 1.45 0.00 -0.00 -1.18 -4.04 115.22 111.54 3kfd n HIS 15 Ca -0.09 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.23 3kfd n HIS 15 Cb 0.53 -0.91 0.58 0.00 -0.12 0.00 0.00 29.99 30.07 3kfd n HIS 15 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3kfd n LEU 16 N -3.53 0.76 -2.88 0.27 4.77 -1.26 -4.45 117.00 110.68 3kfd n LEU 16 Ca -0.45 -0.16 -0.26 0.00 -0.03 0.00 0.00 56.01 55.11 3kfd n LEU 16 Cb 0.91 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 3kfd n LEU 16 CO 0.16 0.14 2.58 0.00 -1.33 0.00 0.00 177.39 178.94 3kfd n THR 18 N 3.37 0.00 -0.58 0.00 -1.04 -1.26 -1.48 114.28 113.29 3kfd n THR 18 Ca 0.59 0.99 -0.03 0.00 -2.04 0.00 0.00 64.05 63.56 3kfd n THR 18 Cb 0.40 -1.52 -0.05 0.00 -1.82 0.00 0.00 70.33 67.34 3kfd n THR 18 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kfd n LYS 19 N -0.95 1.16 -1.48 -2.82 4.01 -1.26 -3.33 118.16 113.48 3kfd n LYS 19 Ca 0.00 -0.27 0.02 0.00 -0.51 0.00 0.00 58.31 57.55 3kfd n LYS 19 Cb 0.00 -1.33 0.01 0.00 -0.51 0.00 0.00 35.03 33.20 3kfd n LYS 19 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kfd n ASP 20 N 1.86 0.69 -4.09 4.39 9.92 -0.55 -5.00 116.55 123.78 3kfd n ASP 20 Ca 0.12 -2.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.08 3kfd n ASP 20 Cb 0.56 -0.21 -0.04 0.00 -0.64 0.00 0.00 41.12 40.79 3kfd n ASP 20 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kfd n ASN 21 N 0.36 -0.77 -3.81 -2.24 4.13 -1.21 -2.83 115.26 108.89 3kfd n ASN 21 Ca 0.01 -1.06 -0.25 0.00 1.68 0.00 0.00 54.58 54.96 3kfd n ASN 21 Cb 1.06 -2.72 -0.04 0.00 -1.54 0.00 0.00 39.78 36.55 3kfd n ASN 21 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kfd n PHE 22 N -4.43 -0.87 -4.12 3.10 3.01 -0.92 -4.88 117.46 108.35 3kfd n PHE 22 Ca -0.22 0.27 -0.16 0.00 1.01 0.00 0.00 57.45 58.35 3kfd n PHE 22 Cb 0.64 -1.87 -0.04 0.00 -0.01 0.00 0.00 39.48 38.20 3kfd n PHE 22 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3kfd s THR 23 N -3.96 0.00 -0.19 4.37 -4.23 -1.13 -1.94 115.64 108.56 3kfd s THR 23 Ca 0.12 -1.65 -0.32 0.00 -1.18 0.00 0.00 61.69 58.66 3kfd s THR 23 Cb -0.07 -2.65 0.15 0.00 1.34 0.00 0.00 72.50 71.27 3kfd s THR 23 CO 0.67 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.91 3kfd s VAL 25 N -1.73 2.44 0.00 0.00 -7.23 -1.26 0.48 120.40 113.10 3kfd s VAL 25 Ca 0.06 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 3kfd s VAL 25 Cb -0.01 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3kfd s VAL 25 CO -0.04 0.43 0.00 0.35 -0.31 0.00 0.00 175.10 175.53 3kfd n THR 26 N 4.65 0.00 -1.01 5.32 -2.24 -1.26 -4.83 114.28 114.90 3kfd n THR 26 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3kfd n THR 26 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3kfd n THR 26 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3kfd n ASP 27 N 0.00 0.00 0.00 3.42 5.75 -1.26 -1.44 116.55 123.01 3kfd n ASP 27 Ca 0.00 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.78 3kfd n ASP 27 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 3kfd n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kfd n GLY 28 N 0.00 0.13 3.58 6.12 0.00 -1.20 -4.51 105.19 109.31 3kfd n GLY 28 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3kfd n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kfd s LEU 29 N 0.00 0.61 -0.22 0.99 1.43 -1.19 -4.92 118.68 115.38 3kfd s LEU 29 Ca 0.00 -1.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.79 3kfd s LEU 29 Cb 0.00 1.80 -0.03 0.00 0.03 0.00 0.00 46.19 47.98 3kfd s LEU 29 CO 0.00 -1.31 0.07 0.00 0.23 0.00 0.00 176.35 175.33 3kfd s PHE 31 N 1.05 3.54 -0.20 0.00 5.36 -0.11 -2.68 117.98 124.94 3kfd s PHE 31 Ca 0.04 0.85 -0.16 0.00 -0.96 0.00 0.00 56.93 56.70 3kfd s PHE 31 Cb -0.14 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.38 3kfd s PHE 31 CO 0.03 0.43 0.52 0.14 -1.46 0.00 0.00 175.22 174.88 3kfd s VAL 32 N -1.53 -0.01 0.32 3.12 -7.23 -0.87 -2.31 120.40 111.89 3kfd s VAL 32 Ca 0.38 0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.60 3kfd s VAL 32 Cb -0.13 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 3kfd s VAL 32 CO 0.20 0.01 0.10 -1.54 -0.31 0.00 0.00 175.10 173.55 3kfd n SER 33 N 3.29 1.43 -2.88 4.85 3.41 -0.86 -1.17 113.62 121.69 3kfd n SER 33 Ca -0.16 -2.66 -0.13 0.00 -0.26 0.00 0.00 58.87 55.66 3kfd n SER 33 Cb 0.56 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 65.20 3kfd n SER 33 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3kfd n VAL 34 N -0.74 0.00 0.00 -3.33 0.24 -1.20 -4.00 118.33 109.31 3kfd n VAL 34 Ca -0.06 -1.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.64 3kfd n VAL 34 Cb 0.47 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 3kfd n VAL 34 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3kfd n THR 35 N -0.55 0.00 -3.21 3.34 -1.04 -1.10 -4.11 114.28 107.61 3kfd n THR 35 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.75 3kfd n THR 35 Cb 0.56 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.10 3kfd n THR 35 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3kfd n ASP 39 N 0.00 -6.62 -4.20 8.00 -0.08 -1.26 -3.28 116.55 109.12 3kfd n ASP 39 Ca 0.00 0.15 -0.30 0.00 -1.51 0.00 0.00 54.79 53.13 3kfd n ASP 39 Cb 0.00 -3.36 0.20 0.00 2.34 0.00 0.00 41.12 40.30 3kfd n ASP 39 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kfd n LYS 40 N -0.26 -2.07 -3.87 -0.67 5.02 -1.26 -5.05 118.16 110.00 3kfd n LYS 40 Ca 0.00 -0.59 -0.12 0.00 -2.02 0.00 0.00 58.31 55.58 3kfd n LYS 40 Cb 0.58 -1.77 -0.13 0.00 -0.02 0.00 0.00 35.03 33.69 3kfd n LYS 40 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kfd s VAL 41 N -2.24 0.01 0.26 -0.18 1.01 -1.26 -5.16 120.40 112.84 3kfd s VAL 41 Ca 0.57 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3kfd s VAL 41 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3kfd s VAL 41 CO 0.63 -0.04 0.38 0.27 0.00 0.00 0.00 175.10 176.34 3kfd s ILE 42 N -0.10 0.00 0.15 2.22 -4.36 -1.26 -5.05 121.20 112.79 3kfd s ILE 42 Ca -0.01 -1.63 -0.24 0.00 -0.26 0.00 0.00 60.65 58.51 3kfd s ILE 42 Cb -0.01 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.35 3kfd s ILE 42 CO 0.00 0.00 0.81 -1.38 0.24 0.00 0.00 174.94 174.61 3kfd s HIS 43 N -3.77 -0.28 0.01 1.37 -3.43 -1.26 -2.70 115.29 105.23 3kfd s HIS 43 Ca 0.29 -0.00 0.03 0.00 -0.80 0.00 0.00 55.06 54.58 3kfd s HIS 43 Cb 0.01 0.62 -0.01 0.00 -1.43 0.00 0.00 32.58 31.77 3kfd s HIS 43 CO 0.13 -0.87 -0.09 1.21 -2.00 0.00 0.00 174.74 173.13 3kfd s ASN 44 N -2.79 1.02 0.15 7.38 2.47 -1.26 -4.97 114.94 116.95 3kfd s ASN 44 Ca 0.08 -0.27 0.09 0.00 0.42 0.00 0.00 52.86 53.17 3kfd s ASN 44 Cb -0.02 -0.07 -0.04 0.00 -1.45 0.00 0.00 41.25 39.66 3kfd s ASN 44 CO -0.03 0.02 -0.20 -0.44 -3.72 0.00 0.00 177.10 172.74 3kfd s SER 45 N -0.62 2.74 0.05 -4.21 0.01 -1.26 -2.03 113.70 108.38 3kfd s SER 45 Ca 0.00 -0.82 -0.28 0.00 1.31 0.00 0.00 55.95 56.16 3kfd s SER 45 Cb -0.05 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 66.11 3kfd s SER 45 CO 0.00 0.01 1.16 0.00 0.41 0.00 0.00 173.24 174.82 3kfd s MET 46 N -2.58 0.72 0.28 12.44 0.00 -0.98 -3.09 119.30 126.09 3kfd s MET 46 Ca 0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 55.69 55.39 3kfd s MET 46 Cb -0.07 0.24 -0.04 0.00 0.00 0.00 0.00 34.83 34.96 3kfd s MET 46 CO 0.06 -0.33 0.51 0.00 0.00 0.00 0.00 175.02 175.26 3kfd s ILE 48 N -2.08 -0.11 0.67 0.00 1.01 -1.13 -4.89 121.20 114.67 3kfd s ILE 48 Ca 0.42 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.66 3kfd s ILE 48 Cb -0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 3kfd s ILE 48 CO 0.31 -0.34 0.87 0.00 0.00 0.00 0.00 174.94 175.78 3kfd n ALA 49 N 5.28 -0.34 0.26 9.38 0.00 -1.26 -3.16 120.51 130.67 3kfd n ALA 49 Ca -0.07 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.40 3kfd n ALA 49 Cb 0.48 -2.05 0.64 0.00 0.00 0.00 0.00 19.45 18.51 3kfd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3kfd h GLU 50 N 0.03 0.00 0.00 0.00 4.81 -1.94 -1.62 114.58 115.86 3kfd h GLU 50 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3kfd h GLU 50 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3kfd h GLU 50 CO 0.48 0.11 0.00 0.97 -0.73 0.00 0.00 179.01 179.84 3kfd h ILE 51 N 0.00 0.00 0.00 2.32 2.10 -1.95 -2.91 117.51 117.07 3kfd h ILE 51 Ca -0.00 -0.67 -0.02 0.00 1.08 0.00 0.00 64.86 65.25 3kfd h ILE 51 Cb 0.54 1.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.91 3kfd h ILE 51 CO 0.01 0.00 -0.65 0.44 -1.08 0.00 0.00 178.15 176.87 3kfd h ASP 52 N 0.00 0.00 -1.11 2.19 3.32 -1.64 -3.43 116.42 115.75 3kfd h ASP 52 Ca 0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 3kfd h ASP 52 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3kfd h ASP 52 CO 0.00 0.07 0.89 -0.76 -1.72 0.00 0.00 179.24 177.72 3kfd s LEU 53 N -5.75 3.16 -0.10 1.55 1.43 -1.10 -4.91 118.68 112.96 3kfd s LEU 53 Ca 0.02 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3kfd s LEU 53 Cb 0.08 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3kfd s LEU 53 CO 0.75 -3.09 -0.08 -0.63 0.23 0.00 0.00 176.35 173.53 3kfd s ILE 54 N 12.05 1.03 -0.14 -0.59 -1.09 -1.26 -2.46 121.20 128.75 3kfd s ILE 54 Ca 0.85 -0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.82 3kfd s ILE 54 Cb -0.13 -1.02 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 3kfd s ILE 54 CO 0.14 0.36 0.28 -2.16 -1.23 0.00 0.00 174.94 172.33 3kfd s PRO 55 N 1.45 4.10 0.00 2.79 0.04 -1.25 -0.97 135.00 141.15 3kfd s PRO 55 Ca 0.00 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.13 3kfd s PRO 55 Cb -0.13 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3kfd s PRO 55 CO -0.05 0.38 0.00 0.54 0.04 0.00 0.00 177.00 177.90 3kfd n ARG 56 N 3.12 0.00 -0.34 4.56 5.12 -1.03 0.93 116.66 129.02 3kfd n ARG 56 Ca -0.13 0.00 0.26 0.00 -1.93 0.00 0.00 57.85 56.05 3kfd n ARG 56 Cb 0.52 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 32.37 3kfd n ARG 56 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3kfd h ASP 57 N 0.00 0.38 -1.07 0.55 5.19 -1.98 -3.30 116.42 116.19 3kfd h ASP 57 Ca 0.00 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.34 3kfd h ASP 57 Cb 0.00 0.03 -0.18 0.00 0.18 0.00 0.00 39.33 39.36 3kfd h ASP 57 CO 0.00 0.03 -0.50 -0.60 -3.12 0.00 0.00 179.24 175.05 3kfd s ARG 58 N -5.42 1.01 0.17 3.56 3.52 0.26 -5.14 118.95 116.92 3kfd s ARG 58 Ca -0.08 -0.94 -0.33 0.00 -0.13 0.00 0.00 55.73 54.25 3kfd s ARG 58 Cb 0.26 -0.09 -0.13 0.00 -1.56 0.00 0.00 34.95 33.43 3kfd s ARG 58 CO 0.80 -1.30 1.66 -0.35 -0.81 0.00 0.00 175.30 175.30 3kfd n PRO 59 N 3.26 2.44 0.28 5.12 -0.04 -1.02 -3.83 135.00 141.21 3kfd n PRO 59 Ca 0.17 0.88 0.13 0.00 -0.04 0.00 0.00 63.50 64.64 3kfd n PRO 59 Cb 0.56 -2.69 0.79 0.00 -0.04 0.00 0.00 33.50 32.12 3kfd n PRO 59 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kfd h PHE 60 N 6.49 0.00 0.00 0.54 -5.15 -1.37 -2.00 116.94 115.45 3kfd h PHE 60 Ca -0.44 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.28 3kfd h PHE 60 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.39 3kfd h PHE 60 CO 0.65 0.06 -0.22 -0.39 -2.00 0.00 0.00 178.31 176.41 3kfd h VAL 61 N 0.00 0.75 -0.01 0.88 -1.51 -1.90 -3.02 116.25 111.44 3kfd h VAL 61 Ca -0.00 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.58 3kfd h VAL 61 Cb 0.14 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 3kfd h VAL 61 CO 0.01 0.21 -0.56 0.00 -1.23 0.00 0.00 177.57 176.00 3kfd s ALA 63 N -2.32 0.08 0.00 0.00 0.00 -1.12 -4.77 121.76 113.63 3kfd s ALA 63 Ca 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3kfd s ALA 63 Cb 0.14 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.47 3kfd s ALA 63 CO 0.57 -1.98 0.00 2.41 0.00 0.00 0.00 175.76 176.75 3kfd n THR 72 N 4.53 0.00 -4.04 0.00 -1.04 -1.21 -5.01 114.28 107.52 3kfd n THR 72 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.80 3kfd n THR 72 Cb 0.43 -0.61 -0.01 0.00 -1.82 0.00 0.00 70.33 68.32 3kfd n THR 72 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3kfd s THR 73 N 0.00 1.47 -0.29 12.58 2.01 -1.26 -4.90 115.64 125.25 3kfd s THR 73 Ca 0.00 -1.57 -0.13 0.00 0.31 0.00 0.00 61.69 60.30 3kfd s THR 73 Cb 0.00 -2.05 0.11 0.00 0.01 0.00 0.00 72.50 70.57 3kfd s THR 73 CO 0.00 0.00 0.68 0.28 -0.69 0.00 0.00 174.62 174.89 3kfd s THR 74 N -2.82 -0.58 0.03 -0.82 -1.32 -1.26 -3.21 115.64 105.67 3kfd s THR 74 Ca 0.28 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.82 3kfd s THR 74 Cb -0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.95 3kfd s THR 74 CO 0.17 0.00 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.10 3kfd s TYR 75 N 2.36 1.57 -0.57 9.09 1.51 -0.32 -4.95 117.35 126.04 3kfd s TYR 75 Ca -0.08 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 3kfd s TYR 75 Cb -0.09 -0.95 0.18 0.00 -0.11 0.00 0.00 41.96 41.00 3kfd s TYR 75 CO -0.19 0.05 0.47 0.00 -1.11 0.00 0.00 175.55 174.77 3kfd n ASN 78 N -1.68 4.67 0.00 0.00 5.15 -1.26 -2.22 115.26 119.91 3kfd n ASN 78 Ca 0.11 -3.59 0.00 0.00 -0.60 0.00 0.00 54.58 50.49 3kfd n ASN 78 Cb 0.52 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 3kfd n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kfd n GLN 79 N 0.22 0.00 -4.93 1.20 6.02 -1.26 -5.11 117.38 113.52 3kfd n GLN 79 Ca 0.32 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.98 3kfd n GLN 79 Cb 0.38 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.48 3kfd n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kfd s ASP 80 N 1.58 3.59 -1.41 1.08 1.11 -1.26 -4.37 116.67 116.98 3kfd s ASP 80 Ca 0.00 -0.44 -0.03 0.00 0.18 0.00 0.00 52.55 52.26 3kfd s ASP 80 Cb 0.00 -1.52 0.00 0.00 1.07 0.00 0.00 42.92 42.47 3kfd s ASP 80 CO 0.00 0.15 0.36 1.41 1.18 0.00 0.00 175.17 178.27 3kfd n HIS 81 N 3.58 -1.57 -2.54 4.23 8.25 -1.02 -4.88 115.22 121.28 3kfd n HIS 81 Ca -0.19 0.67 -0.36 0.00 -0.26 0.00 0.00 57.72 57.58 3kfd n HIS 81 Cb 0.53 -3.48 0.01 0.00 1.12 0.00 0.00 29.99 28.17 3kfd n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kfd s ASN 83 N -1.97 4.99 0.35 0.00 -0.87 -1.26 -4.75 114.94 111.43 3kfd s ASN 83 Ca 0.45 -0.95 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 3kfd s ASN 83 Cb 0.28 -1.81 0.00 0.00 -0.02 0.00 0.00 41.25 39.70 3kfd s ASN 83 CO -0.20 -0.23 0.00 0.29 -2.57 0.00 0.00 177.10 174.39 3kfd n LYS 84 N 4.78 0.21 0.00 -0.60 5.02 -1.26 -5.13 118.16 121.18 3kfd n LYS 84 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 3kfd n LYS 84 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 3kfd n LYS 84 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32