#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 0.88 -3.64 0.00 7.94 -1.22 -4.86 117.00 116.10 3kfd n LEU 10 Ca 0.00 0.92 -0.27 0.00 -1.11 0.00 0.00 56.01 55.56 3kfd n LEU 10 Cb 0.00 -1.19 -0.17 0.00 0.53 0.00 0.00 43.42 42.59 3kfd n LEU 10 CO 0.00 -2.50 -0.34 -1.58 -1.11 0.00 0.00 177.39 171.86 3kfd s GLN 11 N -1.79 0.23 0.45 1.96 0.74 -1.26 -2.04 119.66 117.95 3kfd s GLN 11 Ca 0.64 -0.19 0.07 0.00 0.05 0.00 0.00 55.36 55.93 3kfd s GLN 11 Cb -0.57 -1.89 -0.00 0.00 1.10 0.00 0.00 33.01 31.64 3kfd s GLN 11 CO 0.57 -0.67 0.42 0.00 -0.55 0.00 0.00 175.29 175.05 3kfd s PHE 13 N -2.53 3.61 -0.03 0.00 2.19 -1.26 -1.84 117.98 118.12 3kfd s PHE 13 Ca 0.47 0.99 -0.02 0.00 0.33 0.00 0.00 56.93 58.71 3kfd s PHE 13 Cb -0.03 -2.49 0.02 0.00 -1.31 0.00 0.00 43.02 39.20 3kfd s PHE 13 CO 0.28 0.34 0.08 0.00 1.83 0.00 0.00 175.22 177.75 3kfd n HIS 15 N 3.61 0.74 0.28 0.00 1.44 -1.19 -3.72 115.22 116.39 3kfd n HIS 15 Ca -0.20 0.19 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 3kfd n HIS 15 Cb 0.55 -1.11 0.47 0.00 0.12 0.00 0.00 29.99 30.03 3kfd n HIS 15 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kfd n LEU 16 N -3.21 0.52 -3.66 2.39 4.77 -1.26 -3.84 117.00 112.70 3kfd n LEU 16 Ca -0.31 0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 55.93 3kfd n LEU 16 Cb 1.05 -0.66 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3kfd n LEU 16 CO 0.40 -0.68 2.58 0.00 -1.33 0.00 0.00 177.39 178.36 3kfd n THR 18 N 3.89 0.00 0.39 0.00 -2.24 -1.25 -1.33 114.28 113.74 3kfd n THR 18 Ca 0.55 0.84 0.00 0.00 -2.27 0.00 0.00 64.05 63.16 3kfd n THR 18 Cb 0.33 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 3kfd n THR 18 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kfd n LYS 19 N -0.42 0.61 -2.55 -0.78 4.01 -1.26 -3.36 118.16 114.40 3kfd n LYS 19 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 3kfd n LYS 19 Cb 0.00 -1.20 0.03 0.00 -0.51 0.00 0.00 35.03 33.36 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 0.94 2.76 0.00 4.39 9.92 -1.13 -4.94 116.55 128.48 3kfd n ASP 20 Ca 0.00 -2.74 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 3kfd n ASP 20 Cb 0.30 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 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 -0.55 0.00 -1.54 -2.24 3.02 -1.21 -1.56 115.26 111.18 3kfd n ASN 21 Ca 0.20 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 3kfd n ASN 21 Cb 0.84 -1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 38.89 3kfd n ASN 21 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3kfd n PHE 22 N -2.00 -0.44 -4.15 3.10 0.99 -0.44 -5.01 117.46 109.50 3kfd n PHE 22 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 3kfd n PHE 22 Cb 0.00 -3.01 -0.10 0.00 -1.00 0.00 0.00 39.48 35.37 3kfd n PHE 22 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3kfd s THR 23 N -2.69 0.44 -0.03 4.37 -4.23 -0.60 -1.58 115.64 111.32 3kfd s THR 23 Ca 0.00 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.52 3kfd s THR 23 Cb 0.00 -1.75 0.01 0.00 1.34 0.00 0.00 72.50 72.11 3kfd s THR 23 CO 0.00 -0.80 0.20 0.00 -0.54 0.00 0.00 174.62 173.49 3kfd s VAL 25 N -0.92 5.16 0.35 0.00 -7.23 -1.26 -0.70 120.40 115.80 3kfd s VAL 25 Ca -0.10 0.12 0.09 0.00 -1.81 0.00 0.00 61.98 60.28 3kfd s VAL 25 Cb -0.05 -3.43 -0.07 0.00 0.56 0.00 0.00 36.38 33.39 3kfd s VAL 25 CO 0.02 0.30 -0.09 0.28 -0.31 0.00 0.00 175.10 175.30 3kfd s THR 26 N 1.48 2.22 -2.20 5.32 -1.32 -0.87 -5.00 115.64 115.28 3kfd s THR 26 Ca 0.07 -2.19 0.19 0.00 -1.21 0.00 0.00 61.69 58.54 3kfd s THR 26 Cb -0.15 -2.67 0.23 0.00 -1.51 0.00 0.00 72.50 68.41 3kfd s THR 26 CO 0.08 -0.19 1.18 -0.90 -2.21 0.00 0.00 174.62 172.57 3kfd n ASP 27 N -0.80 2.81 0.00 8.08 5.75 -1.26 -3.39 116.55 127.74 3kfd n ASP 27 Ca -0.05 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3kfd n ASP 27 Cb 0.64 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 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 1.11 0.52 3.32 6.12 0.00 -1.25 -4.31 105.19 110.70 3kfd n GLY 28 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.93 0.18 0.99 1.43 -0.98 -4.88 118.68 116.35 3kfd s LEU 29 Ca 0.00 -1.27 -0.02 0.00 -1.03 0.00 0.00 54.13 51.80 3kfd s LEU 29 Cb 0.00 0.79 -0.05 0.00 0.03 0.00 0.00 46.19 46.97 3kfd s LEU 29 CO 0.00 -0.94 0.39 0.00 0.23 0.00 0.00 176.35 176.03 3kfd s PHE 31 N -1.80 0.51 -0.02 0.00 5.36 -0.49 -2.47 117.98 119.07 3kfd s PHE 31 Ca 0.39 -0.10 -0.00 0.00 -0.96 0.00 0.00 56.93 56.26 3kfd s PHE 31 Cb -0.11 -0.41 0.03 0.00 -0.34 0.00 0.00 43.02 42.19 3kfd s PHE 31 CO 0.28 -0.07 0.04 0.14 -1.46 0.00 0.00 175.22 174.14 3kfd s VAL 32 N 0.31 -0.07 -0.05 3.12 -7.23 -1.12 -1.59 120.40 113.77 3kfd s VAL 32 Ca -0.03 0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.40 3kfd s VAL 32 Cb -0.07 -0.10 0.02 0.00 0.56 0.00 0.00 36.38 36.79 3kfd s VAL 32 CO -0.00 0.10 -0.06 -0.94 -0.31 0.00 0.00 175.10 173.89 3kfd s SER 33 N 1.26 1.21 -0.16 4.85 1.04 -0.92 -1.92 113.70 119.05 3kfd s SER 33 Ca -0.07 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 3kfd s SER 33 Cb -0.13 -0.56 -0.02 0.00 0.10 0.00 0.00 66.02 65.42 3kfd s SER 33 CO -0.03 -0.04 -0.07 -0.69 0.98 0.00 0.00 173.24 173.39 3kfd s VAL 34 N 0.89 3.47 0.01 5.02 1.01 -1.08 -2.31 120.40 127.40 3kfd s VAL 34 Ca -0.11 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3kfd s VAL 34 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3kfd s VAL 34 CO 0.01 0.49 -0.25 0.28 0.00 0.00 0.00 175.10 175.62 3kfd s THR 35 N 0.62 2.16 -0.02 3.92 -1.32 -0.62 -1.47 115.64 118.91 3kfd s THR 35 Ca -0.04 -1.20 -0.28 0.00 -1.21 0.00 0.00 61.69 58.95 3kfd s THR 35 Cb -0.15 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 3kfd s THR 35 CO 0.03 0.49 0.91 -0.70 -2.21 0.00 0.00 174.62 173.13 3kfd s GLU 36 N -0.89 4.52 0.00 7.08 2.56 -1.10 -2.86 118.70 128.01 3kfd s GLU 36 Ca 0.11 1.27 0.00 0.00 0.00 0.00 0.00 54.97 56.35 3kfd s GLU 36 Cb -0.10 -3.46 0.00 0.00 2.00 0.00 0.00 34.13 32.57 3kfd s GLU 36 CO 0.00 -0.04 0.00 0.25 -0.56 0.00 0.00 175.26 174.92 3kfd n THR 37 N 3.91 0.00 -0.59 -1.70 -2.24 -1.26 -4.99 114.28 107.41 3kfd n THR 37 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3kfd n THR 37 Cb 0.51 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3kfd n THR 37 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3kfd n THR 38 N 0.00 0.00 -4.00 4.28 5.66 -1.26 -5.16 114.28 113.80 3kfd n THR 38 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 3kfd n THR 38 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 3kfd n THR 38 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3kfd s VAL 41 N 0.00 2.03 -0.40 1.08 1.01 -1.26 -5.33 120.40 117.53 3kfd s VAL 41 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.03 3kfd s VAL 41 Cb 0.00 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 34.11 3kfd s VAL 41 CO 0.00 -0.37 0.19 -0.63 0.00 0.00 0.00 175.10 174.29 3kfd s ILE 42 N 1.08 3.36 -0.16 2.22 1.01 -1.14 -5.02 121.20 122.56 3kfd s ILE 42 Ca 0.03 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.76 3kfd s ILE 42 Cb -0.19 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3kfd s ILE 42 CO -0.08 -0.62 -0.09 -1.38 0.00 0.00 0.00 174.94 172.77 3kfd s HIS 43 N 1.18 2.01 0.14 3.97 -3.43 -1.26 -1.59 115.29 116.31 3kfd s HIS 43 Ca 0.06 -1.22 0.04 0.00 -0.80 0.00 0.00 55.06 53.14 3kfd s HIS 43 Cb -0.23 -1.47 -0.04 0.00 -1.43 0.00 0.00 32.58 29.41 3kfd s HIS 43 CO -0.03 -0.65 0.13 0.54 -2.00 0.00 0.00 174.74 172.73 3kfd s ASN 44 N 1.53 5.57 0.06 7.38 4.22 -0.98 -4.91 114.94 127.82 3kfd s ASN 44 Ca 0.02 -0.08 0.06 0.00 -2.14 0.00 0.00 52.86 50.71 3kfd s ASN 44 Cb -0.14 -1.48 -0.03 0.00 1.28 0.00 0.00 41.25 40.88 3kfd s ASN 44 CO -0.09 0.09 -0.15 -0.94 -2.04 0.00 0.00 177.10 173.97 3kfd s SER 45 N -2.95 1.83 0.31 3.54 1.04 -1.26 -2.17 113.70 114.04 3kfd s SER 45 Ca 0.31 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 3kfd s SER 45 Cb -0.11 -0.09 0.01 0.00 0.10 0.00 0.00 66.02 65.94 3kfd s SER 45 CO 0.23 -0.01 0.57 0.00 0.98 0.00 0.00 173.24 175.02 3kfd s MET 46 N -1.54 1.84 -0.10 4.02 0.23 -0.62 -3.14 119.30 120.00 3kfd s MET 46 Ca 0.01 -1.42 0.00 0.00 -1.03 0.00 0.00 55.69 53.24 3kfd s MET 46 Cb -0.09 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.69 3kfd s MET 46 CO 0.02 -0.80 -0.09 0.00 -2.03 0.00 0.00 175.02 172.12 3kfd s ILE 48 N -0.25 1.81 0.65 0.00 -4.36 -0.96 -5.01 121.20 113.09 3kfd s ILE 48 Ca 0.03 -1.15 -0.18 0.00 -0.26 0.00 0.00 60.65 59.09 3kfd s ILE 48 Cb -0.13 -1.87 -0.01 0.00 1.25 0.00 0.00 42.46 41.71 3kfd s ILE 48 CO 0.03 0.17 1.28 0.00 0.24 0.00 0.00 174.94 176.65 3kfd s ALA 49 N 1.31 2.35 0.51 2.27 0.00 -1.26 -2.32 121.76 124.62 3kfd s ALA 49 Ca -0.02 1.16 0.16 0.00 0.00 0.00 0.00 51.96 53.26 3kfd s ALA 49 Cb -0.17 -3.54 1.24 0.00 0.00 0.00 0.00 23.12 20.65 3kfd s ALA 49 CO -0.08 -1.60 2.12 1.49 0.00 0.00 0.00 175.76 177.69 3kfd h GLU 50 N 0.46 0.06 0.00 0.00 4.81 -1.90 -0.17 114.58 117.84 3kfd h GLU 50 Ca -0.50 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3kfd h GLU 50 Cb 1.33 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 3kfd h GLU 50 CO 0.53 0.04 -0.00 -0.84 -0.73 0.00 0.00 179.01 178.00 3kfd h ILE 51 N 0.06 0.04 -0.46 2.32 3.07 -1.93 0.23 117.51 120.83 3kfd h ILE 51 Ca 0.04 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 66.29 3kfd h ILE 51 Cb 0.10 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.80 3kfd h ILE 51 CO -0.00 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.57 3kfd n ASP 52 N -3.13 3.62 -4.53 2.16 8.00 -0.08 -4.84 116.55 117.74 3kfd n ASP 52 Ca -0.02 -2.24 -0.43 0.00 0.71 0.00 0.00 54.79 52.81 3kfd n ASP 52 Cb 0.14 -0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 3kfd n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kfd s LEU 53 N -1.44 4.35 -0.17 0.64 1.43 0.07 -4.95 118.68 118.61 3kfd s LEU 53 Ca 0.36 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 3kfd s LEU 53 Cb 0.22 -2.87 0.06 0.00 0.03 0.00 0.00 46.19 43.62 3kfd s LEU 53 CO 0.20 -0.87 0.05 -0.63 0.23 0.00 0.00 176.35 175.32 3kfd s ILE 54 N 3.13 0.33 0.52 -0.59 -1.09 -1.26 -3.17 121.20 119.06 3kfd s ILE 54 Ca 0.27 -0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 58.26 3kfd s ILE 54 Cb -0.13 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 39.87 3kfd s ILE 54 CO 0.21 -0.17 0.87 -2.84 -1.23 0.00 0.00 174.94 171.78 3kfd s PRO 55 N 1.95 3.59 0.14 2.79 0.02 -1.25 -2.58 135.00 139.67 3kfd s PRO 55 Ca 0.01 0.42 -0.17 0.00 0.02 0.00 0.00 61.00 61.27 3kfd s PRO 55 Cb -0.16 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 32.09 3kfd s PRO 55 CO -0.08 -0.31 1.77 -0.09 -0.33 0.00 0.00 177.00 177.97 3kfd h ARG 56 N 0.17 0.31 -0.65 5.54 9.65 -1.91 0.33 114.38 127.81 3kfd h ARG 56 Ca -0.46 -0.02 0.18 0.00 -1.10 0.00 0.00 59.98 58.58 3kfd h ARG 56 Cb 1.20 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.68 3kfd h ARG 56 CO 0.62 0.20 0.46 -0.44 2.80 0.00 0.00 179.97 183.62 3kfd h ASP 57 N 0.32 0.06 -0.53 -3.80 3.32 -1.98 -3.33 116.42 110.47 3kfd h ASP 57 Ca 0.13 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 3kfd h ASP 57 Cb 0.05 -0.01 -0.15 0.00 0.22 0.00 0.00 39.33 39.44 3kfd h ASP 57 CO -0.10 0.03 -0.46 -1.14 -1.72 0.00 0.00 179.24 175.86 3kfd n ARG 58 N -4.37 0.60 -1.75 3.56 0.63 -0.84 -5.14 116.66 109.35 3kfd n ARG 58 Ca 0.13 -1.82 -0.42 0.00 -0.92 0.00 0.00 57.85 54.82 3kfd n ARG 58 Cb 0.68 -1.36 -0.03 0.00 0.45 0.00 0.00 32.46 32.21 3kfd n ARG 58 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3kfd s PRO 59 N 0.78 4.13 0.53 -0.14 0.04 0.11 -3.83 135.00 136.63 3kfd s PRO 59 Ca 0.30 2.58 0.31 0.00 0.04 0.00 0.00 61.00 64.23 3kfd s PRO 59 Cb 0.10 -3.08 1.44 0.00 0.04 0.00 0.00 34.50 33.00 3kfd s PRO 59 CO -0.13 -0.73 2.03 0.27 0.04 0.00 0.00 177.00 178.48 3kfd h PHE 60 N 6.69 0.00 0.00 0.56 -5.15 -1.75 -2.20 116.94 115.10 3kfd h PHE 60 Ca -0.43 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.30 3kfd h PHE 60 Cb 1.20 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.37 3kfd h PHE 60 CO 0.64 0.09 -0.19 0.28 -2.00 0.00 0.00 178.31 177.13 3kfd h VAL 61 N 0.00 0.80 -0.01 0.88 2.07 -1.90 -2.54 116.25 115.54 3kfd h VAL 61 Ca -0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3kfd h VAL 61 Cb 0.44 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3kfd h VAL 61 CO 0.01 0.18 -0.53 0.00 0.02 0.00 0.00 177.57 177.26 3kfd s ALA 63 N -2.54 4.43 0.67 0.00 0.00 -0.96 -4.59 121.76 118.77 3kfd s ALA 63 Ca 0.17 -3.73 -0.17 0.00 0.00 0.00 0.00 51.96 48.24 3kfd s ALA 63 Cb 0.18 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3kfd s ALA 63 CO 0.60 -2.19 0.23 -0.35 0.00 0.00 0.00 175.76 174.05 3kfd n PRO 64 N 2.85 0.23 -1.02 0.00 -0.04 -1.26 -4.92 135.00 130.84 3kfd n PRO 64 Ca 0.21 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 3kfd n PRO 64 Cb 0.40 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 3kfd n PRO 64 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kfd n SER 65 N 0.95 0.05 -4.63 3.54 3.41 -1.26 -5.05 113.62 110.63 3kfd n SER 65 Ca 0.09 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.41 3kfd n SER 65 Cb 0.49 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.63 3kfd n SER 65 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kfd s SER 66 N -1.00 2.48 -0.49 4.04 0.01 -1.26 -4.67 113.70 112.81 3kfd s SER 66 Ca 0.00 1.58 -0.28 0.00 1.31 0.00 0.00 55.95 58.56 3kfd s SER 66 Cb 0.00 -2.24 -0.29 0.00 0.21 0.00 0.00 66.02 63.70 3kfd s SER 66 CO 0.00 -3.28 1.80 0.52 0.41 0.00 0.00 173.24 172.70 3kfd n VAL 71 N -4.31 0.43 -4.29 3.43 0.31 -1.26 -5.05 118.33 107.59 3kfd n VAL 71 Ca 0.06 -0.40 -0.16 0.00 -0.01 0.00 0.00 64.34 63.84 3kfd n VAL 71 Cb 0.55 -2.06 -0.10 0.00 -0.91 0.00 0.00 33.84 31.31 3kfd n VAL 71 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3kfd s THR 72 N 9.75 1.02 -0.37 2.52 -1.32 -1.26 -2.72 115.64 123.26 3kfd s THR 72 Ca 0.71 -2.03 0.03 0.00 -1.21 0.00 0.00 61.69 59.18 3kfd s THR 72 Cb 0.09 -2.14 0.15 0.00 -1.51 0.00 0.00 72.50 69.08 3kfd s THR 72 CO 0.26 -0.49 0.35 0.42 -2.21 0.00 0.00 174.62 172.95 3kfd s THR 73 N -3.43 -0.22 0.17 5.08 -4.23 -0.54 -4.97 115.64 107.50 3kfd s THR 73 Ca 0.24 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.59 3kfd s THR 73 Cb 0.05 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 3kfd s THR 73 CO 0.05 -0.68 0.19 0.42 -0.54 0.00 0.00 174.62 174.06 3kfd s THR 74 N 1.28 4.72 -0.12 3.99 -4.23 -1.26 -2.63 115.64 117.38 3kfd s THR 74 Ca 0.18 -1.02 -0.30 0.00 -1.18 0.00 0.00 61.69 59.37 3kfd s THR 74 Cb -0.16 -3.43 0.10 0.00 1.34 0.00 0.00 72.50 70.35 3kfd s THR 74 CO -0.02 -0.14 0.87 -0.72 -0.54 0.00 0.00 174.62 174.07 3kfd s TYR 75 N -1.80 -0.50 0.19 3.99 -0.85 -0.81 -4.66 117.35 112.92 3kfd s TYR 75 Ca 0.32 0.87 0.06 0.00 -0.52 0.00 0.00 57.07 57.80 3kfd s TYR 75 Cb -0.10 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3kfd s TYR 75 CO 0.25 -0.44 0.12 0.00 -1.52 0.00 0.00 175.55 173.96 3kfd n ASN 78 N 1.60 2.94 -4.37 0.00 6.94 -1.26 -1.40 115.26 119.72 3kfd n ASN 78 Ca -0.19 -3.63 -0.31 0.00 -0.02 0.00 0.00 54.58 50.43 3kfd n ASN 78 Cb 0.56 -0.66 -0.15 0.00 -2.36 0.00 0.00 39.78 37.18 3kfd n ASN 78 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 3kfd s GLN 79 N -3.19 2.02 0.14 -3.83 -0.21 -1.26 -5.01 119.66 108.32 3kfd s GLN 79 Ca 0.46 -0.99 -0.33 0.00 0.02 0.00 0.00 55.36 54.53 3kfd s GLN 79 Cb 0.41 -2.08 -0.17 0.00 1.00 0.00 0.00 33.01 32.17 3kfd s GLN 79 CO 0.03 0.54 0.92 -0.25 -2.12 0.00 0.00 175.29 174.42 3kfd n ASP 80 N 2.00 0.11 -4.32 5.90 9.92 -1.26 -1.85 116.55 127.05 3kfd n ASP 80 Ca -0.16 1.15 -0.34 0.00 -0.53 0.00 0.00 54.79 54.90 3kfd n ASP 80 Cb 0.52 -1.05 -0.07 0.00 -0.64 0.00 0.00 41.12 39.88 3kfd n ASP 80 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3kfd n HIS 81 N 0.96 -1.36 1.27 1.24 8.25 0.21 -4.80 115.22 120.99 3kfd n HIS 81 Ca 0.17 0.68 0.12 0.00 -0.26 0.00 0.00 57.72 58.43 3kfd n HIS 81 Cb 0.20 -2.68 0.41 0.00 1.12 0.00 0.00 29.99 29.04 3kfd n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kfd n ASN 83 N 0.33 5.31 0.00 0.00 4.13 -1.26 -4.96 115.26 118.81 3kfd n ASN 83 Ca 0.17 -2.62 0.00 0.00 1.68 0.00 0.00 54.58 53.81 3kfd n ASN 83 Cb 0.35 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.18 3kfd n ASN 83 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71