#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5g s LYS 2 N 0.00 2.83 -0.02 -0.52 1.02 -1.26 -5.03 119.74 116.75 1d5g s LYS 2 Ca 0.00 -0.61 -0.25 0.00 0.02 0.00 0.00 55.97 55.14 1d5g s LYS 2 Cb 0.00 -2.52 -0.18 0.00 -0.52 0.00 0.00 37.83 34.61 1d5g s LYS 2 CO 0.00 -0.48 1.15 -1.00 -0.92 0.00 0.00 175.35 174.11 1d5g h PRO 3 N 0.24 -0.14 -3.74 -1.68 0.13 -2.01 -3.36 132.00 121.43 1d5g h PRO 3 Ca -0.44 0.01 -0.75 0.00 -0.87 0.00 0.00 66.00 63.95 1d5g h PRO 3 Cb 1.27 0.03 -0.30 0.00 0.13 0.00 0.00 31.00 32.14 1d5g h PRO 3 CO 0.55 0.31 -0.10 0.20 -0.23 0.00 0.00 178.00 178.73 1d5g s GLY 4 N -3.12 2.58 0.93 1.56 0.00 -1.26 -5.06 107.32 102.95 1d5g s GLY 4 Ca -0.15 -3.27 -0.13 0.00 0.00 0.00 0.00 44.72 41.17 1d5g s GLY 4 CO 0.60 1.19 1.27 -0.35 0.00 0.00 0.00 173.10 175.81 1d5g s ASP 5 N 1.60 3.19 0.40 1.64 -1.08 -1.26 -3.99 116.67 117.18 1d5g s ASP 5 Ca 0.17 0.05 -0.19 0.00 -0.52 0.00 0.00 52.55 52.06 1d5g s ASP 5 Cb -0.15 -0.09 -0.10 0.00 -1.46 0.00 0.00 42.92 41.12 1d5g s ASP 5 CO -0.06 -2.66 0.89 -0.63 0.52 0.00 0.00 175.17 173.22 1d5g s ILE 6 N -3.77 4.47 -0.14 4.11 1.01 -1.26 -0.94 121.20 124.68 1d5g s ILE 6 Ca 0.74 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 62.60 1d5g s ILE 6 Cb -0.03 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1d5g s ILE 6 CO 0.52 -0.28 0.36 0.72 0.00 0.00 0.00 174.94 176.26 1d5g s PHE 7 N -2.12 -0.40 -0.41 3.97 -0.71 0.15 -4.92 117.98 113.54 1d5g s PHE 7 Ca 0.60 0.98 -0.10 0.00 -1.04 0.00 0.00 56.93 57.37 1d5g s PHE 7 Cb -0.09 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 41.92 1d5g s PHE 7 CO 0.14 -0.19 0.26 -1.83 -1.34 0.00 0.00 175.22 172.26 1d5g s GLU 8 N 0.21 2.66 -0.15 1.99 -1.05 -1.26 -1.25 118.70 119.85 1d5g s GLU 8 Ca -0.00 -1.38 -0.07 0.00 -0.15 0.00 0.00 54.97 53.37 1d5g s GLU 8 Cb -0.03 -3.79 -0.04 0.00 -0.44 0.00 0.00 34.13 29.84 1d5g s GLU 8 CO 0.00 -0.91 0.08 0.08 0.95 0.00 0.00 175.26 175.46 1d5g s VAL 9 N 1.46 4.93 -0.16 1.83 1.01 -0.23 -4.98 120.40 124.26 1d5g s VAL 9 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1d5g s VAL 9 Cb -0.22 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1d5g s VAL 9 CO 0.03 0.52 -0.07 -0.70 0.00 0.00 0.00 175.10 174.88 1d5g s GLU 10 N -0.19 3.49 0.00 2.72 2.12 -1.26 -1.06 118.70 124.51 1d5g s GLU 10 Ca 0.08 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1d5g s GLU 10 Cb -0.12 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.44 1d5g s GLU 10 CO 0.01 0.12 0.00 -0.11 -0.54 0.00 0.00 175.26 174.74 1d5g n LEU 11 N 3.86 0.00 -3.90 2.70 7.94 -0.57 -5.00 117.00 122.02 1d5g n LEU 11 Ca -0.18 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.63 1d5g n LEU 11 Cb 0.52 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.43 1d5g n LEU 11 CO 0.31 0.00 0.24 0.00 -1.11 0.00 0.00 177.39 176.83 1d5g s ALA 12 N -2.00 -0.58 -0.31 1.96 0.00 -1.26 -2.18 121.76 117.38 1d5g s ALA 12 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1d5g s ALA 12 Cb 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 1d5g s ALA 12 CO 0.00 -0.85 1.51 0.21 0.00 0.00 0.00 175.76 176.63 1d5g s LYS 13 N -3.96 3.68 0.00 0.00 2.20 0.83 -4.85 119.74 117.65 1d5g s LYS 13 Ca 0.16 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 1d5g s LYS 13 Cb -0.01 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.28 1d5g s LYS 13 CO 0.05 -1.43 0.00 0.27 -0.36 0.00 0.00 175.35 173.88 1d5g n ASN 14 N 8.66 0.00 -0.06 1.43 0.23 -1.26 -4.86 115.26 119.40 1d5g n ASN 14 Ca 0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 54.14 1d5g n ASN 14 Cb 0.47 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 1d5g n ASN 14 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1d5g h ASP 15 N 0.00 -0.00 -4.77 0.53 3.32 -2.01 -3.49 116.42 109.99 1d5g h ASP 15 Ca 0.00 -0.61 -0.38 0.00 0.02 0.00 0.00 57.03 56.07 1d5g h ASP 15 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1d5g h ASP 15 CO 0.00 0.80 -0.58 0.20 -1.72 0.00 0.00 179.24 177.94 1d5g s ASN 16 N -5.95 1.30 0.00 6.45 0.01 -1.26 -5.06 114.94 110.42 1d5g s ASN 16 Ca -0.12 -1.49 0.00 0.00 -0.71 0.00 0.00 52.86 50.54 1d5g s ASN 16 Cb -0.02 0.33 0.00 0.00 0.41 0.00 0.00 41.25 41.97 1d5g s ASN 16 CO 0.42 -0.84 0.00 -1.54 -1.51 0.00 0.00 177.10 173.63 1d5g n SER 17 N -0.74 0.00 0.00 -1.22 3.41 -1.26 -4.54 113.62 109.27 1d5g n SER 17 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1d5g n SER 17 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1d5g n LEU 18 N -0.09 0.00 -0.43 1.04 4.77 -1.26 -4.51 117.00 116.53 1d5g n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1d5g n LEU 18 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1d5g n LEU 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1d5g n GLY 19 N 3.24 0.56 3.21 -0.72 0.00 -1.26 -2.02 105.19 108.20 1d5g n GLY 19 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1d5g n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1d5g s ILE 20 N -2.03 0.84 0.02 -0.61 2.07 -1.26 -1.42 121.20 118.80 1d5g s ILE 20 Ca 0.00 -1.98 0.08 0.00 -1.41 0.00 0.00 60.65 57.34 1d5g s ILE 20 Cb 0.00 -1.84 -0.02 0.00 0.13 0.00 0.00 42.46 40.73 1d5g s ILE 20 CO 0.00 -0.74 -0.25 -0.55 -1.91 0.00 0.00 174.94 171.49 1d5g s SER 21 N -3.11 2.93 0.15 4.50 0.15 0.16 -4.83 113.70 113.64 1d5g s SER 21 Ca 0.16 -0.52 0.10 0.00 0.70 0.00 0.00 55.95 56.39 1d5g s SER 21 Cb 0.05 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.03 1d5g s SER 21 CO -0.01 0.26 -0.22 -0.69 1.20 0.00 0.00 173.24 173.78 1d5g s VAL 22 N -0.70 2.02 -0.08 4.45 1.01 -1.26 -0.58 120.40 125.25 1d5g s VAL 22 Ca 0.10 -1.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.21 1d5g s VAL 22 Cb -0.10 -1.87 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1d5g s VAL 22 CO 0.01 -0.12 0.21 0.28 0.00 0.00 0.00 175.10 175.48 1d5g s THR 23 N -1.52 -0.02 0.00 3.92 -1.32 -0.29 -4.62 115.64 111.79 1d5g s THR 23 Ca 0.14 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1d5g s THR 23 Cb -0.08 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.59 1d5g s THR 23 CO 0.07 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 1d5g n GLY 24 N 3.68 0.33 2.30 6.08 0.00 -1.26 -3.01 105.19 113.31 1d5g n GLY 24 Ca -0.20 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 1d5g n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5g n GLY 25 N 0.00 0.07 0.00 -0.02 0.00 -1.26 -4.68 105.19 99.30 1d5g n GLY 25 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1d5g n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d5g n VAL 26 N -3.89 0.00 0.15 1.61 0.24 -1.26 -1.08 118.33 114.09 1d5g n VAL 26 Ca -0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.13 1d5g n VAL 26 Cb 0.57 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.88 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1d5g h ASN 27 N 0.00 -0.38 -5.09 -1.34 7.08 -1.91 -3.40 115.58 110.55 1d5g h ASN 27 Ca 0.00 -0.12 -0.15 0.00 -3.08 0.00 0.00 56.30 52.95 1d5g h ASN 27 Cb 0.00 0.10 -0.18 0.00 -2.08 0.00 0.00 38.32 36.15 1d5g h ASN 27 CO 0.00 0.09 -0.67 0.28 -2.08 0.00 0.00 177.43 175.05 1d5g s THR 28 N -3.53 0.15 0.00 6.14 -1.32 -1.26 -4.62 115.64 111.20 1d5g s THR 28 Ca -0.10 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 1d5g s THR 28 Cb 0.01 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1d5g s THR 28 CO 0.35 -0.69 0.00 -0.24 -2.21 0.00 0.00 174.62 171.83 1d5g n SER 29 N 0.96 0.00 0.41 8.08 2.88 -1.26 -4.94 113.62 119.75 1d5g n SER 29 Ca -0.20 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.16 1d5g n SER 29 Cb 0.58 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1d5g h VAL 30 N 0.00 0.17 -1.33 2.46 3.04 -1.90 -3.48 116.25 115.21 1d5g h VAL 30 Ca 0.00 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1d5g h VAL 30 Cb 0.00 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1d5g h VAL 30 CO 0.00 0.01 0.00 0.54 -1.01 0.00 0.00 177.57 177.11 1d5g n ARG 31 N -5.50 0.00 -0.67 4.17 1.74 -1.26 -5.01 116.66 110.13 1d5g n ARG 31 Ca -0.14 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.89 1d5g n ARG 31 Cb 0.42 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.79 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1d5g n HIS 32 N 0.00 0.00 0.00 -1.55 1.44 -1.26 -4.58 115.22 109.26 1d5g n HIS 32 Ca 0.00 -1.14 0.00 0.00 -2.01 0.00 0.00 57.72 54.57 1d5g n HIS 32 Cb 0.00 -0.92 0.00 0.00 0.12 0.00 0.00 29.99 29.19 1d5g n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1d5g n GLY 33 N 1.94 4.52 0.00 -1.39 0.00 -1.26 -1.21 105.19 107.79 1d5g n GLY 33 Ca 0.17 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1d5g n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d5g n GLY 34 N -1.88 0.07 3.33 -0.02 0.00 -1.26 -4.90 105.19 100.53 1d5g n GLY 34 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1d5g n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d5g s ILE 35 N -1.89 1.33 0.13 -0.61 -1.09 -0.94 -4.16 121.20 113.97 1d5g s ILE 35 Ca 0.00 -2.10 0.09 0.00 -2.23 0.00 0.00 60.65 56.41 1d5g s ILE 35 Cb 0.00 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.70 1d5g s ILE 35 CO 0.00 -0.51 -0.22 -0.31 -1.23 0.00 0.00 174.94 172.68 1d5g s TYR 36 N -3.23 1.91 0.08 3.97 2.02 -1.16 -1.30 117.35 119.64 1d5g s TYR 36 Ca 0.24 -0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 1d5g s TYR 36 Cb 0.03 -1.02 -0.06 0.00 -0.40 0.00 0.00 41.96 40.51 1d5g s TYR 36 CO 0.06 0.27 0.84 0.08 -1.57 0.00 0.00 175.55 175.24 1d5g s VAL 37 N -1.36 4.62 -0.12 0.71 1.01 -0.52 -1.13 120.40 123.61 1d5g s VAL 37 Ca 0.10 1.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.85 1d5g s VAL 37 Cb -0.09 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1d5g s VAL 37 CO 0.05 0.35 -0.09 0.50 0.00 0.00 0.00 175.10 175.92 1d5g h LYS 38 N 5.57 0.00 -2.22 2.72 3.64 -1.10 -3.01 116.57 122.16 1d5g h LYS 38 Ca -0.44 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.13 1d5g h LYS 38 Cb 1.21 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.93 1d5g h LYS 38 CO 0.71 0.01 0.53 0.00 -2.27 0.00 0.00 179.45 178.43 1d5g s ALA 39 N -2.64 -1.74 -0.08 5.00 0.00 -1.17 -4.52 121.76 116.60 1d5g s ALA 39 Ca -0.08 0.29 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1d5g s ALA 39 Cb 0.01 0.58 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 1d5g s ALA 39 CO 0.12 -1.00 0.33 0.54 0.00 0.00 0.00 175.76 175.74 1d5g s VAL 40 N -3.16 5.21 0.02 0.00 0.11 -1.26 -0.67 120.40 120.65 1d5g s VAL 40 Ca 0.12 0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 59.55 1d5g s VAL 40 Cb -0.01 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1d5g s VAL 40 CO 0.00 0.51 0.86 -0.63 -3.33 0.00 0.00 175.10 172.51 1d5g s ILE 41 N -0.47 4.79 -0.01 7.04 -1.09 -0.51 -4.93 121.20 126.02 1d5g s ILE 41 Ca 0.20 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 1d5g s ILE 41 Cb -0.15 -4.20 0.01 0.00 -1.58 0.00 0.00 42.46 36.54 1d5g s ILE 41 CO 0.09 0.27 1.57 -0.81 -1.23 0.00 0.00 174.94 174.82 1d5g n PRO 42 N 3.34 1.04 -2.94 2.79 -0.04 -1.26 -3.92 135.00 134.01 1d5g n PRO 42 Ca 0.01 -0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.26 1d5g n PRO 42 Cb 0.50 -1.03 0.03 0.00 -0.04 0.00 0.00 33.50 32.96 1d5g n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1d5g n GLN 43 N 1.00 0.94 -3.59 0.54 0.00 -1.26 -5.02 117.38 109.99 1d5g n GLN 43 Ca 0.02 -2.52 -0.04 0.00 -0.00 0.00 0.00 57.00 54.45 1d5g n GLN 43 Cb 0.52 -1.34 -0.02 0.00 0.00 0.00 0.00 30.24 29.40 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1d5g s GLY 44 N -1.70 -0.32 0.36 1.69 0.00 -1.25 -4.74 107.32 101.35 1d5g s GLY 44 Ca 0.31 1.43 0.14 0.00 0.00 0.00 0.00 44.72 46.60 1d5g s GLY 44 CO -0.09 0.46 1.75 0.00 0.00 0.00 0.00 173.10 175.21 1d5g h ALA 45 N 2.00 2.03 -0.86 3.20 0.00 -1.78 -1.65 119.26 122.21 1d5g h ALA 45 Ca -0.13 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1d5g h ALA 45 Cb 1.18 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1d5g h ALA 45 CO 0.24 -0.48 0.52 0.00 0.00 0.00 0.00 179.25 179.53 1d5g h ALA 46 N 1.67 1.20 0.06 0.00 0.00 -1.64 0.31 119.26 120.86 1d5g h ALA 46 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.54 1d5g h ALA 46 Cb 1.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1d5g h ALA 46 CO -0.39 0.23 -0.03 1.49 0.00 0.00 0.00 179.25 180.55 1d5g h GLU 47 N 0.92 -0.07 0.08 0.00 4.57 -1.66 -2.52 114.58 115.89 1d5g h GLU 47 Ca 0.39 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1d5g h GLU 47 Cb 0.24 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1d5g h GLU 47 CO -0.20 0.53 -0.20 0.77 -1.18 0.00 0.00 179.01 178.74 1d5g h SER 48 N -0.85 -0.56 0.48 1.04 0.02 -1.16 -3.13 113.55 109.39 1d5g h SER 48 Ca -0.01 0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.71 1d5g h SER 48 Cb 0.64 0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.40 1d5g h SER 48 CO 0.01 -0.27 -1.41 -0.78 -1.14 0.00 0.00 176.83 173.24 1d5g h ASP 49 N -0.36 0.51 -1.61 3.07 3.58 -1.13 -3.50 116.42 116.99 1d5g h ASP 49 Ca 0.03 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.89 1d5g h ASP 49 Cb 0.39 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1d5g h ASP 49 CO -0.13 1.48 0.00 0.61 -2.88 0.00 0.00 179.24 178.32 1d5g n GLY 50 N 1.63 -0.03 0.67 -0.78 0.00 -0.98 -5.07 105.19 100.63 1d5g n GLY 50 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1d5g n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5g n ARG 51 N -0.28 0.00 -4.56 1.61 5.12 -1.02 -5.05 116.66 112.47 1d5g n ARG 51 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1d5g n ARG 51 Cb 0.02 -0.41 -0.14 0.00 -1.16 0.00 0.00 32.46 30.76 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1d5g s ILE 52 N -1.49 1.18 0.40 0.55 1.01 -1.26 -5.15 121.20 116.44 1d5g s ILE 52 Ca 0.00 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1d5g s ILE 52 Cb 0.00 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1d5g s ILE 52 CO 0.00 0.20 0.15 -1.00 0.00 0.00 0.00 174.94 174.29 1d5g s HIS 53 N -0.56 1.78 0.01 3.97 3.76 -1.26 -4.80 115.29 118.19 1d5g s HIS 53 Ca 0.04 -1.33 -0.33 0.00 -0.15 0.00 0.00 55.06 53.29 1d5g s HIS 53 Cb -0.07 -1.11 -0.12 0.00 1.11 0.00 0.00 32.58 32.40 1d5g s HIS 53 CO 0.00 -0.37 1.82 1.17 -0.85 0.00 0.00 174.74 176.51 1d5g n LYS 54 N -0.88 2.34 -1.11 1.40 4.81 -1.26 -2.99 118.16 120.47 1d5g n LYS 54 Ca -0.05 0.86 -0.03 0.00 -0.87 0.00 0.00 58.31 58.22 1d5g n LYS 54 Cb 0.65 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.98 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d5g n GLY 55 N 4.17 0.64 3.79 3.14 0.00 -1.14 -4.70 105.19 111.10 1d5g n GLY 55 Ca 0.20 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1d5g n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5g s ASP 56 N -2.96 5.21 -0.21 1.61 1.01 -1.16 -4.04 116.67 116.13 1d5g s ASP 56 Ca 0.00 1.84 0.01 0.00 0.71 0.00 0.00 52.55 55.11 1d5g s ASP 56 Cb 0.00 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.45 1d5g s ASP 56 CO 0.00 -1.56 -0.12 -0.60 0.21 0.00 0.00 175.17 173.11 1d5g s ARG 57 N -4.44 2.21 0.19 8.23 3.52 -0.50 -1.44 118.95 126.72 1d5g s ARG 57 Ca 0.63 -0.97 0.04 0.00 -0.13 0.00 0.00 55.73 55.29 1d5g s ARG 57 Cb -0.17 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1d5g s ARG 57 CO 0.46 -0.44 0.31 0.14 -0.81 0.00 0.00 175.30 174.96 1d5g s VAL 58 N 1.31 5.28 0.00 7.11 -7.23 -0.42 0.05 120.40 126.49 1d5g s VAL 58 Ca -0.02 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 1d5g s VAL 58 Cb -0.17 -3.78 0.00 0.00 0.56 0.00 0.00 36.38 32.99 1d5g s VAL 58 CO -0.08 -0.19 0.00 -0.11 -0.31 0.00 0.00 175.10 174.41 1d5g n LEU 59 N -0.89 0.00 -4.71 1.32 7.94 -0.80 -2.22 117.00 117.65 1d5g n LEU 59 Ca -0.08 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.46 1d5g n LEU 59 Cb 0.55 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.42 1d5g n LEU 59 CO 0.47 0.00 -0.13 0.00 -1.11 0.00 0.00 177.39 176.62 1d5g s ALA 60 N -2.00 3.64 -0.39 1.96 0.00 -1.14 -4.49 121.76 119.33 1d5g s ALA 60 Ca 0.00 -0.69 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 1d5g s ALA 60 Cb 0.00 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.84 1d5g s ALA 60 CO 0.00 0.01 0.59 0.54 0.00 0.00 0.00 175.76 176.90 1d5g s VAL 61 N 0.65 4.92 -1.51 0.00 0.11 -1.04 -1.14 120.40 122.38 1d5g s VAL 61 Ca 0.10 0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 59.41 1d5g s VAL 61 Cb -0.12 -4.08 0.01 0.00 -1.53 0.00 0.00 36.38 30.65 1d5g s VAL 61 CO 0.02 -0.39 0.22 -3.20 -3.33 0.00 0.00 175.10 168.41 1d5g n ASN 62 N 6.00 -5.31 0.00 3.54 5.15 0.30 -1.93 115.26 123.02 1d5g n ASN 62 Ca -0.03 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1d5g n ASN 62 Cb 0.48 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1d5g n GLY 63 N -1.13 0.87 3.56 8.20 0.00 -1.26 -5.03 105.19 110.40 1d5g n GLY 63 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1d5g n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 64 N -2.22 5.14 0.07 1.61 1.01 -0.81 -4.98 120.40 120.23 1d5g s VAL 64 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1d5g s VAL 64 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1d5g s VAL 64 CO 0.00 -0.05 1.11 -0.55 0.00 0.00 0.00 175.10 175.61 1d5g s SER 65 N 1.72 7.21 0.10 3.32 0.15 -1.26 -2.51 113.70 122.42 1d5g s SER 65 Ca 0.14 1.93 0.25 0.00 0.70 0.00 0.00 55.95 58.97 1d5g s SER 65 Cb -0.16 -2.58 0.57 0.00 -1.71 0.00 0.00 66.02 62.14 1d5g s SER 65 CO 0.12 -0.35 1.50 0.00 1.20 0.00 0.00 173.24 175.70 1d5g n LEU 66 N 3.57 0.60 -4.63 3.45 -0.00 -1.26 -4.98 117.00 113.75 1d5g n LEU 66 Ca 0.07 0.28 -0.50 0.00 -0.00 0.00 0.00 56.01 55.86 1d5g n LEU 66 Cb 0.48 -0.26 -0.05 0.00 -0.00 0.00 0.00 43.42 43.58 1d5g n LEU 66 CO 0.54 -0.04 1.06 -1.84 -0.00 0.00 0.00 177.39 177.12 1d5g n GLU 67 N -1.95 1.59 0.00 1.47 0.28 -1.26 -0.70 120.64 120.07 1d5g n GLU 67 Ca 0.05 0.57 0.00 0.00 -0.16 0.00 0.00 57.16 57.62 1d5g n GLU 67 Cb 0.41 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.00 1d5g n GLU 67 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1d5g n GLY 68 N 3.03 2.51 3.82 -1.84 0.00 -0.35 -4.99 105.19 107.38 1d5g n GLY 68 Ca 0.18 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1d5g n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g s ALA 69 N -1.33 2.88 0.37 4.61 0.00 0.13 -5.02 121.76 123.40 1d5g s ALA 69 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 1d5g s ALA 69 Cb 0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1d5g s ALA 69 CO 0.00 -0.61 0.58 0.95 0.00 0.00 0.00 175.76 176.68 1d5g s THR 70 N -2.60 5.08 0.32 0.00 -4.23 -1.26 -4.57 115.64 108.37 1d5g s THR 70 Ca 0.61 -0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1d5g s THR 70 Cb -0.13 -3.86 0.39 0.00 1.34 0.00 0.00 72.50 70.23 1d5g s THR 70 CO 0.37 -0.60 1.58 -0.74 -0.54 0.00 0.00 174.62 174.69 1d5g h HIS 71 N 0.67 0.18 -0.74 3.99 2.76 -1.32 -0.63 115.15 120.07 1d5g h HIS 71 Ca -0.49 0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1d5g h HIS 71 Cb 1.22 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 30.22 1d5g h HIS 71 CO 0.52 -0.41 0.44 -0.22 -1.30 0.00 0.00 177.93 176.96 1d5g h LYS 72 N 0.04 0.99 0.14 5.26 1.63 -1.94 0.16 116.57 122.86 1d5g h LYS 72 Ca 0.64 -0.09 -0.28 0.00 -0.85 0.00 0.00 60.65 60.08 1d5g h LYS 72 Cb 1.42 -0.21 0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1d5g h LYS 72 CO -0.85 0.70 -1.18 0.37 -3.45 0.00 0.00 179.45 175.03 1d5g h GLN 73 N 1.01 0.55 -0.80 1.90 5.75 -1.69 -3.16 115.11 118.67 1d5g h GLN 73 Ca 0.26 -0.78 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1d5g h GLN 73 Cb -0.04 0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 1d5g h GLN 73 CO -0.05 1.35 0.51 0.00 -2.65 0.00 0.00 178.83 178.00 1d5g h ALA 74 N 0.23 1.39 -0.12 3.38 0.00 -0.79 -1.61 119.26 121.74 1d5g h ALA 74 Ca -0.19 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1d5g h ALA 74 Cb 1.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1d5g h ALA 74 CO 0.23 0.55 -0.54 -0.24 0.00 0.00 0.00 179.25 179.24 1d5g h VAL 75 N 1.09 1.35 -0.35 0.00 3.04 -1.09 -2.35 116.25 117.94 1d5g h VAL 75 Ca 0.29 -1.82 -0.01 0.00 -1.01 0.00 0.00 66.70 64.15 1d5g h VAL 75 Cb -0.09 1.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 1d5g h VAL 75 CO -0.06 0.55 0.19 -0.08 -1.01 0.00 0.00 177.57 177.16 1d5g h GLU 76 N 0.26 0.49 -0.33 4.17 4.81 -1.37 0.35 114.58 122.97 1d5g h GLU 76 Ca 0.00 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1d5g h GLU 76 Cb 1.04 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1d5g h GLU 76 CO 0.09 0.41 0.07 1.15 -0.73 0.00 0.00 179.01 180.00 1d5g h THR 77 N 0.45 0.84 0.13 0.32 2.02 -1.29 -3.18 112.91 112.20 1d5g h THR 77 Ca 0.12 -0.06 -0.28 0.00 0.77 0.00 0.00 66.41 66.96 1d5g h THR 77 Cb 0.06 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1d5g h THR 77 CO -0.02 0.03 -1.23 0.25 0.37 0.00 0.00 175.52 174.92 1d5g h LEU 78 N 0.18 0.56 -1.31 2.58 6.46 -1.20 -3.26 115.31 119.33 1d5g h LEU 78 Ca 0.15 -0.56 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 1d5g h LEU 78 Cb 0.17 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 1d5g h LEU 78 CO -0.20 1.42 0.48 0.03 -0.62 0.00 0.00 178.44 179.54 1d5g h ARG 79 N 0.13 0.91 -2.47 1.25 3.08 -0.98 -3.32 114.38 112.98 1d5g h ARG 79 Ca -0.15 -0.05 -0.78 0.00 0.07 0.00 0.00 59.98 59.07 1d5g h ARG 79 Cb 1.93 -0.21 -0.20 0.00 0.08 0.00 0.00 29.97 31.57 1d5g h ARG 79 CO 0.21 0.60 1.66 0.09 -1.07 0.00 0.00 179.97 181.47 1d5g n ASN 80 N -4.44 7.56 0.00 7.04 3.02 -1.20 -4.52 115.26 122.73 1d5g n ASN 80 Ca 0.08 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.21 1d5g n ASN 80 Cb 0.06 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1d5g n THR 81 N 0.87 0.00 0.00 3.41 -2.24 -1.25 -5.02 114.28 110.05 1d5g n THR 81 Ca 0.53 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.64 1d5g n THR 81 Cb 0.26 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1d5g n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d5g n GLY 82 N 1.84 0.65 0.13 3.38 0.00 -1.26 -4.76 105.19 105.17 1d5g n GLY 82 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.70 1d5g n GLY 82 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1d5g h GLN 83 N 0.00 0.38 -6.21 1.61 4.15 -1.99 -3.40 115.11 109.64 1d5g h GLN 83 Ca 0.00 -0.55 -0.49 0.00 0.77 0.00 0.00 58.65 58.38 1d5g h GLN 83 Cb 0.00 0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1d5g h GLN 83 CO 0.00 1.23 -0.47 0.14 -1.93 0.00 0.00 178.83 177.81 1d5g s VAL 84 N -2.85 4.20 -0.03 2.39 -7.23 -1.26 -0.12 120.40 115.50 1d5g s VAL 84 Ca -0.06 -1.29 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1d5g s VAL 84 Cb 0.07 -3.39 0.02 0.00 0.56 0.00 0.00 36.38 33.65 1d5g s VAL 84 CO 0.89 -0.27 0.00 -0.69 -0.31 0.00 0.00 175.10 174.73 1d5g s VAL 85 N -2.18 0.15 -0.04 1.32 1.01 -0.93 -4.72 120.40 115.02 1d5g s VAL 85 Ca 0.37 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 1d5g s VAL 85 Cb -0.07 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1d5g s VAL 85 CO 0.27 0.13 0.07 -2.28 0.00 0.00 0.00 175.10 173.29 1d5g s HIS 86 N 0.91 -0.03 0.09 5.22 2.46 -1.26 -1.51 115.29 121.17 1d5g s HIS 86 Ca -0.09 0.28 -0.11 0.00 0.47 0.00 0.00 55.06 55.60 1d5g s HIS 86 Cb -0.12 -0.23 0.01 0.00 -0.13 0.00 0.00 32.58 32.11 1d5g s HIS 86 CO -0.02 -0.14 0.27 -0.48 -2.47 0.00 0.00 174.74 171.90 1d5g s LEU 87 N 1.34 1.06 -0.17 8.88 2.34 -0.23 -0.54 118.68 131.36 1d5g s LEU 87 Ca -0.06 -0.48 0.01 0.00 0.06 0.00 0.00 54.13 53.66 1d5g s LEU 87 Cb -0.12 1.30 0.02 0.00 -0.56 0.00 0.00 46.19 46.83 1d5g s LEU 87 CO -0.04 -0.74 -0.19 -0.76 -1.06 0.00 0.00 176.35 173.55 1d5g s LEU 88 N -2.70 2.08 0.26 1.48 1.02 -0.30 -1.06 118.68 119.45 1d5g s LEU 88 Ca 0.03 -0.63 0.09 0.00 0.02 0.00 0.00 54.13 53.63 1d5g s LEU 88 Cb 0.03 -1.44 -0.05 0.00 0.02 0.00 0.00 46.19 44.75 1d5g s LEU 88 CO -0.10 -0.00 -0.13 -0.76 0.02 0.00 0.00 176.35 175.38 1d5g s LEU 89 N 1.27 2.56 -0.08 1.79 1.02 -0.38 -1.90 118.68 122.96 1d5g s LEU 89 Ca 0.04 -1.09 0.02 0.00 0.02 0.00 0.00 54.13 53.12 1d5g s LEU 89 Cb -0.13 -0.79 -0.02 0.00 0.02 0.00 0.00 46.19 45.27 1d5g s LEU 89 CO -0.12 -0.18 -0.15 -0.70 0.02 0.00 0.00 176.35 175.23 1d5g s GLU 90 N -3.63 2.87 0.14 1.70 2.12 0.11 -0.67 118.70 121.33 1d5g s GLU 90 Ca 0.27 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 1d5g s GLU 90 Cb -0.00 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.86 1d5g s GLU 90 CO 0.11 0.43 1.13 0.21 -0.54 0.00 0.00 175.26 176.61 1d5g s LYS 91 N -0.24 4.54 0.60 4.30 2.20 -0.11 -1.41 119.74 129.62 1d5g s LYS 91 Ca 0.01 1.74 -0.08 0.00 -0.36 0.00 0.00 55.97 57.28 1d5g s LYS 91 Cb -0.13 -3.30 0.13 0.00 -1.51 0.00 0.00 37.83 33.03 1d5g s LYS 91 CO 0.03 -0.04 0.81 0.41 -0.36 0.00 0.00 175.35 176.21 1d5g n GLY 92 N 2.40 -0.80 3.77 5.54 0.00 -1.26 -4.43 105.19 110.41 1d5g n GLY 92 Ca 0.05 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1d5g n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d5g s GLN 93 N -4.71 4.51 -0.30 1.61 -0.21 -1.26 -4.75 119.66 114.56 1d5g s GLN 93 Ca 0.48 1.54 -0.24 0.00 0.02 0.00 0.00 55.36 57.17 1d5g s GLN 93 Cb -0.02 -2.90 -0.00 0.00 1.00 0.00 0.00 33.01 31.09 1d5g s GLN 93 CO 0.33 0.17 0.79 0.45 -2.12 0.00 0.00 175.29 174.91 1d5g s SER 94 N -1.33 6.69 0.68 5.90 0.15 -1.26 -4.89 113.70 119.65 1d5g s SER 94 Ca 0.50 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.76 1d5g s SER 94 Cb -0.25 -2.41 -0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1d5g s SER 94 CO 0.31 -0.60 1.06 -2.16 1.20 0.00 0.00 173.24 173.06 1d5g s PRO 95 N 2.94 3.06 0.00 5.44 0.04 -1.26 -5.26 135.00 139.96 1d5g s PRO 95 Ca 0.33 0.68 0.13 0.00 0.04 0.00 0.00 61.00 62.18 1d5g s PRO 95 Cb -0.14 -2.02 0.10 0.00 0.04 0.00 0.00 34.50 32.47 1d5g s PRO 95 CO 0.12 -0.94 0.91 -2.37 0.04 0.00 0.00 177.00 174.75