#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfd s ASP 15 N 0.00 6.22 0.04 1.61 1.01 -1.26 -4.94 116.67 119.34 1lfd s ASP 15 Ca 0.00 2.63 -0.28 0.00 0.71 0.00 0.00 52.55 55.61 1lfd s ASP 15 Cb 0.00 -2.63 0.09 0.00 1.01 0.00 0.00 42.92 41.39 1lfd s ASP 15 CO 0.00 -0.91 0.97 0.00 0.21 0.00 0.00 175.17 175.44 1lfd s ILE 18 N -1.81 4.88 0.13 0.00 1.01 -1.26 -0.91 121.20 123.24 1lfd s ILE 18 Ca -0.12 1.02 0.09 0.00 0.00 0.00 0.00 60.65 61.63 1lfd s ILE 18 Cb -0.06 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1lfd s ILE 18 CO -0.01 -0.18 -0.16 0.27 0.00 0.00 0.00 174.94 174.86 1lfd s ILE 19 N 2.76 2.95 -0.27 2.92 -4.36 -0.47 -4.93 121.20 119.79 1lfd s ILE 19 Ca 0.28 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 59.04 1lfd s ILE 19 Cb -0.15 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.14 1lfd s ILE 19 CO 0.12 0.06 0.19 -0.13 0.24 0.00 0.00 174.94 175.41 1lfd s ARG 20 N -2.29 3.99 -0.16 0.37 0.52 0.37 -1.32 118.95 120.42 1lfd s ARG 20 Ca 0.20 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.10 1lfd s ARG 20 Cb -0.10 -3.63 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 1lfd s ARG 20 CO 0.11 -0.11 -0.11 0.08 0.02 0.00 0.00 175.30 175.29 1lfd s VAL 21 N 1.57 3.09 0.17 3.52 1.01 -0.61 0.46 120.40 129.60 1lfd s VAL 21 Ca 0.07 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1lfd s VAL 21 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1lfd s VAL 21 CO 0.09 0.49 -0.06 -0.94 0.00 0.00 0.00 175.10 174.68 1lfd s SER 22 N 0.80 4.44 0.05 3.32 1.04 0.13 -0.91 113.70 122.58 1lfd s SER 22 Ca -0.04 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1lfd s SER 22 Cb -0.15 -0.83 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 1lfd s SER 22 CO 0.01 0.10 0.15 -0.22 0.98 0.00 0.00 173.24 174.26 1lfd s LEU 23 N -2.83 4.14 0.00 2.42 2.96 -1.26 -0.62 118.68 123.49 1lfd s LEU 23 Ca 0.26 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1lfd s LEU 23 Cb -0.09 -2.68 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1lfd s LEU 23 CO 0.16 0.20 0.63 -0.90 -1.32 0.00 0.00 176.35 175.13 1lfd n ASP 24 N 0.57 0.34 -1.79 3.68 5.75 -1.20 -4.81 116.55 119.08 1lfd n ASP 24 Ca -0.08 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1lfd n ASP 24 Cb 0.52 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1lfd n ASP 24 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1lfd n VAL 25 N -0.25 0.00 -3.50 2.12 0.24 -1.26 -5.10 118.33 110.59 1lfd n VAL 25 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1lfd n VAL 25 Cb 0.08 -0.94 -0.11 0.00 -1.47 0.00 0.00 33.84 31.40 1lfd n VAL 25 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1lfd s ASP 26 N -0.99 2.36 -0.07 -1.34 2.15 -1.26 -4.94 116.67 112.58 1lfd s ASP 26 Ca 0.00 -2.92 0.10 0.00 0.43 0.00 0.00 52.55 50.15 1lfd s ASP 26 Cb 0.00 -0.62 0.15 0.00 -0.30 0.00 0.00 42.92 42.15 1lfd s ASP 26 CO 0.00 -0.20 1.04 -0.46 -0.17 0.00 0.00 175.17 175.38 1lfd n ASN 27 N 3.07 1.67 0.00 -0.34 2.04 -1.26 -5.00 115.26 115.45 1lfd n ASN 27 Ca 0.23 -2.49 0.00 0.00 -0.44 0.00 0.00 54.58 51.88 1lfd n ASN 27 Cb 0.43 -0.26 0.00 0.00 -2.53 0.00 0.00 39.78 37.42 1lfd n ASN 27 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1lfd n GLY 28 N -0.86 2.73 3.75 4.83 0.00 -1.26 -5.04 105.19 109.33 1lfd n GLY 28 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1lfd n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lfd s ASN 29 N -1.38 6.79 -0.12 1.61 3.84 -1.26 -4.98 114.94 119.45 1lfd s ASN 29 Ca 0.00 0.94 -0.18 0.00 0.21 0.00 0.00 52.86 53.83 1lfd s ASN 29 Cb 0.00 -2.30 -0.26 0.00 -0.55 0.00 0.00 41.25 38.13 1lfd s ASN 29 CO 0.00 0.08 0.55 0.24 -2.79 0.00 0.00 177.10 175.17 1lfd h MET 30 N 6.11 0.19 -2.17 0.43 2.86 -1.96 -3.45 114.93 116.94 1lfd h MET 30 Ca -0.44 -0.33 0.18 0.00 -2.06 0.00 0.00 59.70 57.05 1lfd h MET 30 Cb 1.19 0.12 -0.11 0.00 0.06 0.00 0.00 31.60 32.86 1lfd h MET 30 CO 0.72 1.16 0.55 1.52 1.06 0.00 0.00 176.91 181.91 1lfd s TYR 31 N -2.44 -0.18 -0.04 -0.22 -0.85 -1.26 -4.53 117.35 107.83 1lfd s TYR 31 Ca -0.21 -0.05 -0.01 0.00 -0.52 0.00 0.00 57.07 56.28 1lfd s TYR 31 Cb 0.04 0.59 0.03 0.00 0.38 0.00 0.00 41.96 43.00 1lfd s TYR 31 CO 0.74 -0.65 0.07 0.15 -1.52 0.00 0.00 175.55 174.34 1lfd s LYS 32 N -3.09 -0.03 0.18 -3.49 1.02 -0.08 -4.93 119.74 109.31 1lfd s LYS 32 Ca 0.10 0.32 -0.29 0.00 0.02 0.00 0.00 55.97 56.12 1lfd s LYS 32 Cb -0.00 -0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 36.89 1lfd s LYS 32 CO -0.02 -0.24 0.91 -1.12 -0.92 0.00 0.00 175.35 173.96 1lfd s SER 33 N 1.62 7.54 0.27 2.83 0.01 -1.26 -1.58 113.70 123.13 1lfd s SER 33 Ca -0.03 1.83 0.02 0.00 1.31 0.00 0.00 55.95 59.08 1lfd s SER 33 Cb -0.12 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 1lfd s SER 33 CO -0.04 0.09 0.11 0.27 0.41 0.00 0.00 173.24 174.09 1lfd s ILE 34 N -0.77 0.50 -0.12 1.44 -4.36 -0.43 -4.98 121.20 112.48 1lfd s ILE 34 Ca 0.42 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 1lfd s ILE 34 Cb -0.24 -2.61 -0.04 0.00 1.25 0.00 0.00 42.46 40.82 1lfd s ILE 34 CO 0.30 0.00 0.04 -0.22 0.24 0.00 0.00 174.94 175.30 1lfd s LEU 35 N -3.33 3.76 -0.31 0.37 2.96 -1.26 -1.37 118.68 119.49 1lfd s LEU 35 Ca 0.37 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 1lfd s LEU 35 Cb 0.07 -1.89 0.08 0.00 0.50 0.00 0.00 46.19 44.95 1lfd s LEU 35 CO 0.14 0.33 0.00 -0.69 -1.32 0.00 0.00 176.35 174.81 1lfd s VAL 36 N -0.56 2.44 0.55 1.68 1.01 -0.09 -4.97 120.40 120.47 1lfd s VAL 36 Ca 0.10 -1.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.08 1lfd s VAL 36 Cb -0.12 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1lfd s VAL 36 CO 0.02 -0.35 0.86 0.42 0.00 0.00 0.00 175.10 176.05 1lfd s THR 37 N 1.04 4.03 -1.75 3.92 -4.23 -1.26 -1.25 115.64 116.15 1lfd s THR 37 Ca 0.02 0.05 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 1lfd s THR 37 Cb -0.20 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.29 1lfd s THR 37 CO -0.06 -0.58 1.09 -1.54 -0.54 0.00 0.00 174.62 173.00 1lfd n SER 38 N -2.47 0.00 -0.32 3.99 3.41 -0.67 -1.47 113.62 116.09 1lfd n SER 38 Ca 0.03 -0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.63 1lfd n SER 38 Cb 0.57 -0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 1lfd n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lfd n GLN 39 N -1.13 1.64 -2.35 4.33 6.02 -1.26 -4.90 117.38 119.73 1lfd n GLN 39 Ca 0.06 -0.69 -0.43 0.00 -0.01 0.00 0.00 57.00 55.93 1lfd n GLN 39 Cb 0.05 -1.29 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 1lfd n GLN 39 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1lfd s ASP 40 N -2.06 6.62 0.33 1.08 1.11 -0.54 -5.03 116.67 118.17 1lfd s ASP 40 Ca 0.13 1.33 0.03 0.00 0.18 0.00 0.00 52.55 54.21 1lfd s ASP 40 Cb 0.13 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.56 1lfd s ASP 40 CO 0.46 -1.10 0.50 -0.54 1.18 0.00 0.00 175.17 175.68 1lfd s LYS 41 N 4.25 3.33 0.25 8.23 1.02 -1.26 -1.51 119.74 134.05 1lfd s LYS 41 Ca 0.60 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.91 1lfd s LYS 41 Cb -0.19 -2.74 0.43 0.00 -0.52 0.00 0.00 37.83 34.82 1lfd s LYS 41 CO 0.24 0.14 1.61 0.00 -0.92 0.00 0.00 175.35 176.42 1lfd h ALA 42 N 0.83 0.72 -0.79 5.17 0.00 -1.06 -0.52 119.26 123.61 1lfd h ALA 42 Ca -0.49 0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1lfd h ALA 42 Cb 1.23 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.50 1lfd h ALA 42 CO 0.59 -0.43 0.52 -1.35 0.00 0.00 0.00 179.25 178.57 1lfd h PRO 43 N 0.05 0.84 -0.03 0.00 0.11 -1.88 -0.43 132.00 130.66 1lfd h PRO 43 Ca 0.42 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.48 1lfd h PRO 43 Cb 0.72 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1lfd h PRO 43 CO -0.77 0.56 0.00 1.15 -0.21 0.00 0.00 178.00 178.73 1lfd h THR 44 N 0.87 1.25 -0.35 -1.15 2.02 -1.49 -2.25 112.91 111.81 1lfd h THR 44 Ca 0.34 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1lfd h THR 44 Cb 0.21 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1lfd h THR 44 CO -0.11 0.20 -0.16 0.58 0.37 0.00 0.00 175.52 176.39 1lfd h VAL 45 N -0.24 1.26 -0.51 3.16 2.07 -1.12 -1.67 116.25 119.20 1lfd h VAL 45 Ca 0.01 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 1lfd h VAL 45 Cb 0.32 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1lfd h VAL 45 CO 0.00 0.39 0.05 0.40 0.02 0.00 0.00 177.57 178.43 1lfd h ILE 46 N 0.57 1.26 -0.19 4.57 2.04 -1.07 0.20 117.51 124.89 1lfd h ILE 46 Ca 0.09 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.83 1lfd h ILE 46 Cb 0.60 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1lfd h ILE 46 CO 0.04 0.36 -0.39 -0.09 0.00 0.00 0.00 178.15 178.06 1lfd h ARG 47 N 0.74 0.43 -0.49 2.37 9.65 -1.28 0.92 114.38 126.72 1lfd h ARG 47 Ca 0.15 -0.21 -0.13 0.00 -1.10 0.00 0.00 59.98 58.69 1lfd h ARG 47 Cb 0.45 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1lfd h ARG 47 CO 0.02 0.76 -0.22 -0.22 2.80 0.00 0.00 179.97 183.10 1lfd h LYS 48 N 0.36 1.00 -0.23 0.20 3.64 -0.96 -1.28 116.57 119.29 1lfd h LYS 48 Ca 0.03 -0.43 -0.13 0.00 -1.27 0.00 0.00 60.65 58.85 1lfd h LYS 48 Cb 0.85 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1lfd h LYS 48 CO 0.07 1.11 -0.37 0.00 -2.27 0.00 0.00 179.45 177.99 1lfd h ALA 49 N 0.87 0.36 -0.12 5.00 0.00 -0.36 -2.41 119.26 122.60 1lfd h ALA 49 Ca 0.11 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1lfd h ALA 49 Cb 0.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1lfd h ALA 49 CO 0.07 0.44 0.07 0.52 0.00 0.00 0.00 179.25 180.35 1lfd h MET 50 N 0.37 0.15 -0.33 0.00 2.86 -0.73 -1.38 114.93 115.87 1lfd h MET 50 Ca 0.02 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1lfd h MET 50 Cb 0.96 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1lfd h MET 50 CO 0.09 0.10 0.18 -0.44 1.06 0.00 0.00 176.91 177.89 1lfd h ASP 51 N 0.15 0.28 -0.75 1.22 3.32 -1.27 0.45 116.42 119.82 1lfd h ASP 51 Ca 0.04 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.19 1lfd h ASP 51 Cb -0.01 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.44 1lfd h ASP 51 CO -0.01 0.20 0.49 0.50 -1.72 0.00 0.00 179.24 178.70 1lfd h LYS 52 N 0.37 0.68 -0.63 3.56 1.63 -1.20 0.61 116.57 121.59 1lfd h LYS 52 Ca 0.13 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1lfd h LYS 52 Cb 0.03 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1lfd h LYS 52 CO -0.08 0.45 0.00 0.72 -3.45 0.00 0.00 179.45 177.09 1lfd n HIS 53 N -4.49 1.11 -3.36 1.91 8.25 -0.54 -4.96 115.22 113.13 1lfd n HIS 53 Ca 0.12 -0.47 -0.18 0.00 -0.26 0.00 0.00 57.72 56.94 1lfd n HIS 53 Cb 0.30 -0.14 0.07 0.00 1.12 0.00 0.00 29.99 31.33 1lfd n HIS 53 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1lfd n ASN 54 N 1.03 -5.21 -2.51 0.41 3.02 0.21 -4.96 115.26 107.25 1lfd n ASN 54 Ca 0.21 -0.73 -0.23 0.00 -0.03 0.00 0.00 54.58 53.80 1lfd n ASN 54 Cb 0.68 -4.92 0.01 0.00 -0.61 0.00 0.00 39.78 34.94 1lfd n ASN 54 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1lfd n LEU 55 N -3.59 3.96 0.09 3.41 4.77 0.14 -4.87 117.00 120.91 1lfd n LEU 55 Ca -0.13 -4.85 -0.02 0.00 -0.03 0.00 0.00 56.01 50.98 1lfd n LEU 55 Cb 0.63 -0.25 0.21 0.00 -2.33 0.00 0.00 43.42 41.69 1lfd n LEU 55 CO 0.61 2.07 0.64 0.44 -1.33 0.00 0.00 177.39 179.82 1lfd h ASP 56 N 2.66 0.27 -0.23 -1.43 5.19 -1.89 -3.20 116.42 117.78 1lfd h ASP 56 Ca 0.21 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 1lfd h ASP 56 Cb 1.00 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1lfd h ASP 56 CO 0.76 0.66 -0.16 -0.08 -3.12 0.00 0.00 179.24 177.30 1lfd h GLU 57 N 0.22 0.52 -7.24 3.56 4.81 -1.98 -3.46 114.58 111.02 1lfd h GLU 57 Ca 0.02 -0.25 -0.50 0.00 -0.13 0.00 0.00 59.36 58.50 1lfd h GLU 57 Cb 0.83 -0.00 0.20 0.00 0.63 0.00 0.00 28.75 30.40 1lfd h GLU 57 CO 0.07 0.82 0.17 -0.51 -0.73 0.00 0.00 179.01 178.82 1lfd s ASP 58 N -6.26 2.43 -0.11 1.04 1.11 -1.21 -5.04 116.67 108.63 1lfd s ASP 58 Ca -0.13 2.01 -0.03 0.00 0.18 0.00 0.00 52.55 54.58 1lfd s ASP 58 Cb 0.07 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 1lfd s ASP 58 CO 0.78 -3.38 -0.01 -1.61 1.18 0.00 0.00 175.17 172.13 1lfd s GLU 59 N -4.60 3.24 0.31 8.23 2.02 -1.26 -4.99 118.70 121.65 1lfd s GLU 59 Ca 0.67 -0.45 0.21 0.00 0.02 0.00 0.00 54.97 55.42 1lfd s GLU 59 Cb -0.23 -2.84 1.15 0.00 0.10 0.00 0.00 34.13 32.31 1lfd s GLU 59 CO 0.60 0.53 1.65 -2.30 0.02 0.00 0.00 175.26 175.76 1lfd n PRO 60 N 2.67 0.14 -0.21 0.39 -0.02 -1.26 -2.24 135.00 134.47 1lfd n PRO 60 Ca -0.18 0.64 -0.09 0.00 -2.02 0.00 0.00 63.50 61.85 1lfd n PRO 60 Cb 0.53 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.08 1lfd n PRO 60 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1lfd h GLU 61 N 0.00 0.96 -0.03 -0.52 4.39 -1.98 -2.65 114.58 114.74 1lfd h GLU 61 Ca 0.00 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.45 1lfd h GLU 61 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1lfd h GLU 61 CO 0.00 0.91 0.00 -3.47 -1.16 0.00 0.00 179.01 175.29 1lfd n ASP 62 N -4.33 0.52 -4.75 1.42 2.03 -0.95 -4.86 116.55 105.63 1lfd n ASP 62 Ca 0.03 -1.34 -0.30 0.00 0.52 0.00 0.00 54.79 53.70 1lfd n ASP 62 Cb 0.27 -0.02 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 1lfd n ASP 62 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1lfd s TYR 63 N -1.97 3.12 0.08 -0.67 1.51 -1.00 -0.06 117.35 118.36 1lfd s TYR 63 Ca 0.37 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.55 1lfd s TYR 63 Cb 0.18 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1lfd s TYR 63 CO 0.30 0.51 -0.20 -2.00 -1.11 0.00 0.00 175.55 173.04 1lfd s GLU 64 N -2.38 1.16 -0.22 -0.62 2.12 0.39 -4.66 118.70 114.49 1lfd s GLU 64 Ca 0.28 -1.06 0.01 0.00 0.36 0.00 0.00 54.97 54.56 1lfd s GLU 64 Cb -0.12 -1.34 0.03 0.00 0.26 0.00 0.00 34.13 32.96 1lfd s GLU 64 CO 0.21 0.32 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.94 1lfd s LEU 65 N -1.64 2.78 -0.05 2.70 2.96 -1.26 -1.93 118.68 122.24 1lfd s LEU 65 Ca 0.06 -0.93 0.06 0.00 -0.22 0.00 0.00 54.13 53.09 1lfd s LEU 65 Cb -0.10 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 1lfd s LEU 65 CO 0.03 -0.09 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.99 1lfd s LEU 66 N 1.24 2.21 -0.22 -0.68 2.01 -0.83 -1.35 118.68 121.06 1lfd s LEU 66 Ca -0.00 -0.43 -0.14 0.00 0.01 0.00 0.00 54.13 53.57 1lfd s LEU 66 Cb -0.16 -1.40 -0.04 0.00 0.01 0.00 0.00 46.19 44.59 1lfd s LEU 66 CO -0.09 0.29 0.31 -1.58 1.01 0.00 0.00 176.35 176.29 1lfd s GLN 67 N -0.41 4.12 -0.78 1.70 0.74 0.50 -0.64 119.66 124.88 1lfd s GLN 67 Ca 0.04 0.02 -0.23 0.00 0.05 0.00 0.00 55.36 55.24 1lfd s GLN 67 Cb -0.12 -3.55 0.07 0.00 1.10 0.00 0.00 33.01 30.51 1lfd s GLN 67 CO 0.01 -0.02 1.15 0.42 -0.55 0.00 0.00 175.29 176.30 1lfd s ILE 68 N 1.29 4.16 0.14 -2.34 1.01 0.75 -0.25 121.20 125.95 1lfd s ILE 68 Ca 0.15 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.31 1lfd s ILE 68 Cb -0.14 -4.82 -0.14 0.00 0.01 0.00 0.00 42.46 37.36 1lfd s ILE 68 CO 0.07 -1.65 1.35 0.40 0.00 0.00 0.00 174.94 175.11 1lfd h ILE 69 N 6.10 1.34 -2.04 2.92 1.08 -1.46 -3.42 117.51 122.03 1lfd h ILE 69 Ca -0.13 -2.14 0.07 0.00 -0.39 0.00 0.00 64.86 62.27 1lfd h ILE 69 Cb 1.05 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 1lfd h ILE 69 CO 1.24 0.65 0.27 -1.54 -0.69 0.00 0.00 178.15 178.09 1lfd n SER 70 N -3.86 -0.81 0.01 1.72 3.41 -0.63 -4.72 113.62 108.74 1lfd n SER 70 Ca -0.06 -1.43 0.09 0.00 -0.26 0.00 0.00 58.87 57.21 1lfd n SER 70 Cb 0.75 1.32 0.38 0.00 -0.26 0.00 0.00 64.21 66.41 1lfd n SER 70 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1lfd n GLU 71 N -0.34 0.02 -0.00 4.33 0.28 -1.26 -2.99 120.64 120.69 1lfd n GLU 71 Ca -0.01 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1lfd n GLU 71 Cb 0.27 -1.54 -0.00 0.00 1.43 0.00 0.00 31.44 31.60 1lfd n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1lfd n ASP 72 N -1.58 1.05 -4.02 -1.84 8.00 -1.26 -5.02 116.55 111.87 1lfd n ASP 72 Ca 0.04 -0.41 -0.27 0.00 0.71 0.00 0.00 54.79 54.87 1lfd n ASP 72 Cb 0.21 1.01 -0.17 0.00 -0.02 0.00 0.00 41.12 42.15 1lfd n ASP 72 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1lfd s HIS 73 N -1.26 1.72 -0.06 1.24 2.46 -1.16 -5.11 115.29 113.12 1lfd s HIS 73 Ca 0.00 -0.76 -0.00 0.00 0.47 0.00 0.00 55.06 54.77 1lfd s HIS 73 Cb 0.00 -1.27 0.03 0.00 -0.13 0.00 0.00 32.58 31.21 1lfd s HIS 73 CO 0.02 -0.41 -0.02 0.15 -2.47 0.00 0.00 174.74 172.01 1lfd s LYS 74 N 0.97 0.70 -0.32 2.88 1.02 -1.26 -1.24 119.74 122.49 1lfd s LYS 74 Ca -0.08 0.00 -0.19 0.00 0.02 0.00 0.00 55.97 55.72 1lfd s LYS 74 Cb -0.15 -0.89 -0.01 0.00 -0.52 0.00 0.00 37.83 36.26 1lfd s LYS 74 CO -0.00 -0.19 0.59 -1.17 -0.92 0.00 0.00 175.35 173.65 1lfd s LEU 75 N 1.43 4.21 -0.22 3.17 2.96 0.65 -4.87 118.68 126.02 1lfd s LEU 75 Ca -0.03 0.25 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 1lfd s LEU 75 Cb -0.13 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1lfd s LEU 75 CO -0.03 -0.48 1.12 -0.54 -1.32 0.00 0.00 176.35 175.10 1lfd s LYS 76 N 2.54 4.23 -0.31 1.98 1.02 -1.26 -0.37 119.74 127.57 1lfd s LYS 76 Ca 0.23 1.44 -0.25 0.00 0.02 0.00 0.00 55.97 57.40 1lfd s LYS 76 Cb -0.15 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1lfd s LYS 76 CO 0.13 -0.68 0.87 0.42 -0.92 0.00 0.00 175.35 175.17 1lfd s ILE 77 N 3.34 4.71 0.39 2.17 -1.09 -0.46 -4.99 121.20 125.28 1lfd s ILE 77 Ca 0.48 1.36 -0.25 0.00 -2.23 0.00 0.00 60.65 60.01 1lfd s ILE 77 Cb -0.17 -4.23 -0.11 0.00 -1.58 0.00 0.00 42.46 36.37 1lfd s ILE 77 CO 0.09 -0.31 0.98 -2.65 -1.23 0.00 0.00 174.94 171.82 1lfd n PRO 78 N 6.39 1.30 -0.03 2.79 -0.02 -1.26 -4.63 135.00 139.54 1lfd n PRO 78 Ca 0.06 0.47 0.24 0.00 -2.02 0.00 0.00 63.50 62.25 1lfd n PRO 78 Cb 0.48 -1.97 0.72 0.00 -0.02 0.00 0.00 33.50 32.71 1lfd n PRO 78 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1lfd h GLU 79 N 1.59 0.00 0.00 -0.52 4.11 -1.98 -2.45 114.58 115.33 1lfd h GLU 79 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 1lfd h GLU 79 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1lfd h GLU 79 CO 0.57 0.00 -0.01 0.09 0.07 0.00 0.00 179.01 179.73 1lfd n ASN 80 N -3.95 1.78 -4.79 3.06 4.13 -1.26 -3.71 115.26 110.52 1lfd n ASN 80 Ca 0.12 -2.03 -0.32 0.00 1.68 0.00 0.00 54.58 54.03 1lfd n ASN 80 Cb 0.79 -0.06 0.03 0.00 -1.54 0.00 0.00 39.78 39.00 1lfd n ASN 80 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lfd s ALA 81 N -1.11 2.64 -0.54 5.41 0.00 -0.92 -4.58 121.76 122.67 1lfd s ALA 81 Ca 0.04 0.39 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 1lfd s ALA 81 Cb 0.04 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1lfd s ALA 81 CO 0.00 -1.02 1.10 1.21 0.00 0.00 0.00 175.76 177.05 1lfd s ASN 82 N -2.89 6.48 0.23 0.00 2.47 -1.26 -0.63 114.94 119.33 1lfd s ASN 82 Ca 0.64 0.10 -0.07 0.00 0.42 0.00 0.00 52.86 53.95 1lfd s ASN 82 Cb -0.17 -2.52 0.37 0.00 -1.45 0.00 0.00 41.25 37.48 1lfd s ASN 82 CO 0.41 -1.33 1.75 0.58 -3.72 0.00 0.00 177.10 174.79 1lfd h VAL 83 N 6.14 0.74 -0.70 -5.21 2.07 -1.57 0.22 116.25 117.94 1lfd h VAL 83 Ca -0.25 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.22 1lfd h VAL 83 Cb 1.06 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.98 1lfd h VAL 83 CO 1.13 0.09 0.30 0.15 0.02 0.00 0.00 177.57 179.26 1lfd h PHE 84 N 0.47 0.53 0.00 1.57 3.04 -1.78 -1.23 116.94 119.54 1lfd h PHE 84 Ca 0.36 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.34 1lfd h PHE 84 Cb 0.48 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1lfd h PHE 84 CO -0.15 0.14 -0.83 1.88 -2.02 0.00 0.00 178.31 177.32 1lfd h TYR 85 N 0.50 0.00 0.19 0.41 0.05 -1.76 -3.38 116.97 112.98 1lfd h TYR 85 Ca 0.36 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.80 1lfd h TYR 85 Cb 0.46 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.21 1lfd h TYR 85 CO -0.14 0.00 -1.68 0.00 -1.05 0.00 0.00 178.16 175.28 1lfd h ALA 86 N 2.03 0.13 -2.78 3.88 0.00 -0.10 -3.48 119.26 118.95 1lfd h ALA 86 Ca 0.00 -1.10 -0.54 0.00 0.00 0.00 0.00 54.91 53.27 1lfd h ALA 86 Cb 0.98 0.39 0.17 0.00 0.00 0.00 0.00 17.79 19.33 1lfd h ALA 86 CO 0.00 1.00 0.41 0.00 0.00 0.00 0.00 179.25 180.66 1lfd s MET 87 N -2.59 2.05 -0.72 0.00 0.23 -0.51 -4.91 119.30 112.86 1lfd s MET 87 Ca -0.14 1.85 -0.26 0.00 -1.03 0.00 0.00 55.69 56.11 1lfd s MET 87 Cb 0.05 -1.81 0.04 0.00 -1.53 0.00 0.00 34.83 31.58 1lfd s MET 87 CO 0.87 -1.92 1.21 1.21 -2.03 0.00 0.00 175.02 174.35 1lfd s ASN 88 N -1.88 6.17 0.50 -1.18 3.04 -1.26 -4.85 114.94 115.47 1lfd s ASN 88 Ca 0.76 -0.55 0.27 0.00 0.04 0.00 0.00 52.86 53.38 1lfd s ASN 88 Cb -0.32 -2.53 1.29 0.00 -1.54 0.00 0.00 41.25 38.16 1lfd s ASN 88 CO 0.46 -1.74 1.99 0.77 -3.04 0.00 0.00 177.10 175.53 1lfd h SER 89 N 9.92 0.00 -0.05 -4.21 4.64 -1.91 -2.46 113.55 119.48 1lfd h SER 89 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1lfd h SER 89 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1lfd h SER 89 CO 1.26 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 177.36 1lfd n ALA 90 N -2.24 2.60 -4.29 5.18 0.00 -1.26 -4.86 120.51 115.64 1lfd n ALA 90 Ca -0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 53.44 52.87 1lfd n ALA 90 Cb 0.30 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1lfd n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lfd n ALA 91 N -0.37 0.50 -1.87 0.00 0.00 -0.93 -5.10 120.51 112.75 1lfd n ALA 91 Ca 0.18 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.33 1lfd n ALA 91 Cb 0.20 0.92 -0.02 0.00 0.00 0.00 0.00 19.45 20.54 1lfd n ALA 91 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1lfd s ASN 92 N -3.47 6.73 -0.12 0.00 0.02 -1.26 -4.89 114.94 111.94 1lfd s ASN 92 Ca 0.11 2.63 -0.02 0.00 -1.02 0.00 0.00 52.86 54.56 1lfd s ASN 92 Cb -0.01 -2.63 -0.02 0.00 0.02 0.00 0.00 41.25 38.61 1lfd s ASN 92 CO 0.07 -0.62 2.53 -1.22 0.02 0.00 0.00 177.10 177.88 1lfd n TYR 93 N 1.92 0.50 -3.66 2.20 4.02 -1.26 -4.71 117.16 116.17 1lfd n TYR 93 Ca 0.05 -1.44 -0.37 0.00 -0.01 0.00 0.00 57.90 56.12 1lfd n TYR 93 Cb 0.41 -0.99 -0.10 0.00 -0.02 0.00 0.00 39.34 38.64 1lfd n TYR 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1lfd s ASP 94 N 1.43 6.06 0.17 7.72 1.01 -1.26 -0.48 116.67 131.32 1lfd s ASP 94 Ca 0.31 0.08 0.08 0.00 0.71 0.00 0.00 52.55 53.73 1lfd s ASP 94 Cb 0.18 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 1lfd s ASP 94 CO -0.03 0.05 -0.16 -0.36 0.21 0.00 0.00 175.17 174.88 1lfd s PHE 95 N 1.17 1.72 -0.07 4.23 0.40 0.17 -0.18 117.98 125.42 1lfd s PHE 95 Ca 0.07 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1lfd s PHE 95 Cb -0.14 -0.84 0.01 0.00 0.51 0.00 0.00 43.02 42.57 1lfd s PHE 95 CO 0.05 0.32 -0.14 -1.50 0.70 0.00 0.00 175.22 174.66 1lfd s ILE 96 N -2.43 1.25 -0.27 0.64 2.07 0.19 -0.70 121.20 121.96 1lfd s ILE 96 Ca 0.17 -0.54 -0.11 0.00 -1.41 0.00 0.00 60.65 58.76 1lfd s ILE 96 Cb -0.04 -1.14 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 1lfd s ILE 96 CO 0.06 0.38 0.19 -0.22 -1.91 0.00 0.00 174.94 173.44 1lfd s LEU 97 N 0.66 4.05 0.13 8.50 2.96 0.21 -1.96 118.68 133.24 1lfd s LEU 97 Ca -0.14 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.73 1lfd s LEU 97 Cb -0.16 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 1lfd s LEU 97 CO 0.04 -0.02 0.21 -1.59 -1.32 0.00 0.00 176.35 173.67 1lfd s LYS 98 N 1.58 1.02 0.09 1.98 -2.85 -0.81 -3.28 119.74 117.45 1lfd s LYS 98 Ca 0.07 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 53.58 1lfd s LYS 98 Cb -0.15 0.34 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 1lfd s LYS 98 CO 0.09 -0.34 1.10 0.15 0.10 0.00 0.00 175.35 176.45 1lfd s LYS 99 N -3.95 4.53 0.00 1.78 1.02 -1.26 0.15 119.74 122.01 1lfd s LYS 99 Ca 0.15 1.64 0.20 0.00 0.02 0.00 0.00 55.97 57.99 1lfd s LYS 99 Cb 0.05 -3.36 1.21 0.00 -0.52 0.00 0.00 37.83 35.22 1lfd s LYS 99 CO -0.03 -0.07 1.60 -2.13 -0.92 0.00 0.00 175.35 173.80