#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 2.76 0.26 -0.52 -2.85 -1.26 -4.96 119.74 113.16 1d5g s LYS 2 Ca 0.00 0.67 0.25 0.00 -1.00 0.00 0.00 55.97 55.89 1d5g s LYS 2 Cb 0.00 -1.99 0.91 0.00 -2.06 0.00 0.00 37.83 34.69 1d5g s LYS 2 CO 0.00 -1.16 1.75 -1.00 0.10 0.00 0.00 175.35 175.04 1d5g h PRO 3 N -0.75 0.00 -2.83 1.78 0.13 -2.01 -3.07 132.00 125.25 1d5g h PRO 3 Ca -0.45 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 1d5g h PRO 3 Cb 1.24 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 1d5g h PRO 3 CO 0.61 0.00 0.37 0.41 -0.23 0.00 0.00 178.00 179.16 1d5g n GLY 4 N 0.56 4.94 3.92 1.56 0.00 -1.26 -4.97 105.19 109.94 1d5g n GLY 4 Ca 0.03 -2.68 -0.27 0.00 0.00 0.00 0.00 46.02 43.10 1d5g n GLY 4 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d5g s ASP 5 N -1.60 4.40 -0.05 1.61 -4.77 -1.16 -4.20 116.67 110.90 1d5g s ASP 5 Ca 0.33 0.50 -0.21 0.00 -3.30 0.00 0.00 52.55 49.88 1d5g s ASP 5 Cb 0.05 -0.98 -0.05 0.00 -1.09 0.00 0.00 42.92 40.85 1d5g s ASP 5 CO 0.05 -1.91 0.59 -0.63 0.70 0.00 0.00 175.17 173.97 1d5g s ILE 6 N -3.47 5.02 0.15 2.11 1.09 -1.26 -0.88 121.20 123.97 1d5g s ILE 6 Ca 0.63 1.21 0.03 0.00 -1.10 0.00 0.00 60.65 61.43 1d5g s ILE 6 Cb -0.09 -3.93 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 1d5g s ILE 6 CO 0.48 0.35 -0.06 0.72 -0.10 0.00 0.00 174.94 176.33 1d5g s PHE 7 N 0.27 1.21 -0.11 3.97 -0.71 0.46 -4.99 117.98 118.08 1d5g s PHE 7 Ca 0.31 -0.87 -0.01 0.00 -1.04 0.00 0.00 56.93 55.32 1d5g s PHE 7 Cb -0.17 -0.66 -0.03 0.00 -1.21 0.00 0.00 43.02 40.95 1d5g s PHE 7 CO 0.15 -0.05 -0.06 -1.83 -1.34 0.00 0.00 175.22 172.10 1d5g s GLU 8 N -3.82 3.24 0.05 1.99 -1.05 -1.26 -1.40 118.70 116.45 1d5g s GLU 8 Ca 0.19 -0.54 0.01 0.00 -0.15 0.00 0.00 54.97 54.48 1d5g s GLU 8 Cb 0.04 -2.75 -0.04 0.00 -0.44 0.00 0.00 34.13 30.94 1d5g s GLU 8 CO 0.01 0.44 0.13 0.14 0.95 0.00 0.00 175.26 176.93 1d5g s VAL 9 N -0.19 4.90 -0.25 1.83 -7.23 -0.28 -5.02 120.40 114.15 1d5g s VAL 9 Ca 0.03 -0.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 1d5g s VAL 9 Cb -0.13 -3.35 0.08 0.00 0.56 0.00 0.00 36.38 33.54 1d5g s VAL 9 CO 0.03 0.18 0.04 -1.61 -0.31 0.00 0.00 175.10 173.42 1d5g s GLU 10 N -2.30 0.94 0.37 4.82 2.02 -1.26 -2.59 118.70 120.69 1d5g s GLU 10 Ca 0.30 -0.86 0.05 0.00 0.02 0.00 0.00 54.97 54.49 1d5g s GLU 10 Cb -0.12 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 1d5g s GLU 10 CO 0.22 -0.77 0.20 -0.11 0.02 0.00 0.00 175.26 174.82 1d5g n LEU 11 N 4.85 0.00 -4.21 1.80 7.94 -0.01 -5.02 117.00 122.35 1d5g n LEU 11 Ca -0.07 -3.05 -0.14 0.00 -1.11 0.00 0.00 56.01 51.65 1d5g n LEU 11 Cb 0.44 1.25 -0.09 0.00 0.53 0.00 0.00 43.42 45.55 1d5g n LEU 11 CO 0.14 -0.49 -0.18 0.00 -1.11 0.00 0.00 177.39 175.75 1d5g s ALA 12 N -3.17 1.30 -0.32 1.96 0.00 -1.26 -0.58 121.76 119.68 1d5g s ALA 12 Ca 0.28 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.18 1d5g s ALA 12 Cb 0.01 1.40 -0.01 0.00 0.00 0.00 0.00 23.12 24.52 1d5g s ALA 12 CO 0.20 -0.62 1.55 0.21 0.00 0.00 0.00 175.76 177.09 1d5g s LYS 13 N -3.94 3.62 0.00 0.00 2.20 0.68 -4.87 119.74 117.43 1d5g s LYS 13 Ca 0.39 1.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.29 1d5g s LYS 13 Cb 0.05 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1d5g s LYS 13 CO 0.16 -1.51 0.00 0.27 -0.36 0.00 0.00 175.35 173.92 1d5g n ASN 14 N 8.93 0.00 -0.03 1.43 0.23 -1.26 -4.92 115.26 119.64 1d5g n ASN 14 Ca 0.18 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 54.05 1d5g n ASN 14 Cb 0.47 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.03 1d5g n ASN 14 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 1d5g h ASP 15 N 0.00 0.19 -2.88 0.53 1.82 -1.90 -3.48 116.42 110.70 1d5g h ASP 15 Ca 0.00 -0.88 -0.14 0.00 -0.39 0.00 0.00 57.03 55.63 1d5g h ASP 15 Cb 0.00 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 39.91 1d5g h ASP 15 CO 0.00 1.30 -0.13 -3.20 -1.61 0.00 0.00 179.24 175.60 1d5g n ASN 16 N -4.33 0.11 0.00 2.28 2.85 -1.26 -4.95 115.26 109.96 1d5g n ASN 16 Ca -0.18 -1.61 0.00 0.00 -0.11 0.00 0.00 54.58 52.69 1d5g n ASN 16 Cb 0.68 0.42 0.00 0.00 1.24 0.00 0.00 39.78 42.12 1d5g n ASN 16 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1d5g n SER 17 N -2.45 0.00 0.00 1.20 2.88 -1.26 -4.16 113.62 109.83 1d5g n SER 17 Ca 0.01 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1d5g n SER 17 Cb 0.17 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1d5g n LEU 18 N -1.74 0.00 0.00 2.46 4.32 -1.26 -4.42 117.00 116.36 1d5g n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1d5g n LEU 18 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1d5g n LEU 18 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1d5g n GLY 19 N 2.92 0.69 3.29 -0.72 0.00 -1.26 -2.15 105.19 107.96 1d5g n GLY 19 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1d5g n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d5g s ILE 20 N -0.95 0.00 -0.05 -0.61 1.01 -1.26 -3.27 121.20 116.08 1d5g s ILE 20 Ca 0.00 -1.92 0.06 0.00 0.00 0.00 0.00 60.65 58.79 1d5g s ILE 20 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 1d5g s ILE 20 CO 0.00 0.00 -0.22 -0.94 0.00 0.00 0.00 174.94 173.78 1d5g s SER 21 N -3.23 2.67 0.02 3.58 1.04 -0.90 -4.84 113.70 112.02 1d5g s SER 21 Ca 0.38 -0.44 0.07 0.00 0.48 0.00 0.00 55.95 56.44 1d5g s SER 21 Cb 0.04 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 1d5g s SER 21 CO 0.18 0.21 -0.22 -0.69 0.98 0.00 0.00 173.24 173.71 1d5g s VAL 22 N -0.13 1.76 -0.17 5.02 1.01 -1.26 -0.69 120.40 125.93 1d5g s VAL 22 Ca -0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 1d5g s VAL 22 Cb -0.12 -1.50 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1d5g s VAL 22 CO 0.03 0.35 0.05 0.28 0.00 0.00 0.00 175.10 175.80 1d5g s THR 23 N -0.67 0.31 0.00 3.92 -1.32 -0.64 -4.83 115.64 112.40 1d5g s THR 23 Ca 0.08 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1d5g s THR 23 Cb -0.09 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1d5g s THR 23 CO 0.01 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1d5g n GLY 24 N 5.13 0.85 0.99 6.08 0.00 -1.26 -4.37 105.19 112.61 1d5g n GLY 24 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.86 0.00 -0.02 0.00 -1.26 -4.84 105.19 99.94 1d5g n GLY 25 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1d5g n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1d5g n VAL 26 N -2.49 0.00 0.05 1.61 0.31 -1.26 -3.69 118.33 112.86 1d5g n VAL 26 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 1d5g n VAL 26 Cb 0.08 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.87 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1d5g h ASN 27 N 0.00 0.50 -1.75 4.52 7.08 -1.91 -3.33 115.58 120.70 1d5g h ASN 27 Ca 0.00 -0.93 -0.17 0.00 -3.08 0.00 0.00 56.30 52.12 1d5g h ASN 27 Cb 0.00 -0.16 -0.29 0.00 -2.08 0.00 0.00 38.32 35.79 1d5g h ASN 27 CO 0.00 1.39 -0.52 0.28 -2.08 0.00 0.00 177.43 176.50 1d5g s THR 28 N -2.55 -0.63 0.00 6.14 -1.32 -1.26 -3.68 115.64 112.34 1d5g s THR 28 Ca -0.13 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1d5g s THR 28 Cb 0.01 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1d5g s THR 28 CO 0.84 -0.24 0.00 -1.54 -2.21 0.00 0.00 174.62 171.47 1d5g n SER 29 N 5.36 0.00 0.01 8.08 3.41 -1.26 -4.94 113.62 124.27 1d5g n SER 29 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.51 1d5g n SER 29 Cb 0.50 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1d5g h VAL 30 N 0.00 0.85 -1.99 -3.33 3.04 -1.84 -3.48 116.25 109.49 1d5g h VAL 30 Ca 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1d5g h VAL 30 Cb 0.00 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1d5g h VAL 30 CO 0.00 0.25 0.00 0.54 -1.01 0.00 0.00 177.57 177.35 1d5g n ARG 31 N -4.82 0.92 -2.29 4.17 1.74 -1.26 -5.03 116.66 110.09 1d5g n ARG 31 Ca -0.06 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.62 1d5g n ARG 31 Cb 0.25 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.68 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 3.93 0.00 -1.55 1.44 -1.26 -4.28 115.22 113.50 1d5g n HIS 32 Ca 0.00 -2.47 0.00 0.00 -2.01 0.00 0.00 57.72 53.24 1d5g n HIS 32 Cb 0.00 -2.58 0.00 0.00 0.12 0.00 0.00 29.99 27.53 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 5.30 -2.00 0.00 -1.39 0.00 -1.24 -4.53 105.19 101.34 1d5g n GLY 33 Ca 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.29 -1.20 3.17 -0.02 0.00 -1.26 -4.51 105.19 101.08 1d5g n GLY 34 Ca 0.00 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.12 1.35 -0.08 -0.61 -1.09 -1.26 -4.28 121.20 112.11 1d5g s ILE 35 Ca 0.00 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.58 1d5g s ILE 35 Cb 0.00 -1.15 0.00 0.00 -1.58 0.00 0.00 42.46 39.73 1d5g s ILE 35 CO 0.00 0.26 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.30 1d5g s TYR 36 N -0.58 2.11 0.06 3.97 6.14 -1.26 -2.87 117.35 124.92 1d5g s TYR 36 Ca 0.06 -0.80 -0.25 0.00 0.64 0.00 0.00 57.07 56.71 1d5g s TYR 36 Cb -0.07 -1.44 -0.06 0.00 0.42 0.00 0.00 41.96 40.81 1d5g s TYR 36 CO 0.00 -0.33 0.79 0.08 0.64 0.00 0.00 175.55 176.73 1d5g s VAL 37 N 0.38 4.68 -0.14 3.14 1.01 -1.23 -1.62 120.40 126.61 1d5g s VAL 37 Ca -0.15 1.68 -0.09 0.00 0.00 0.00 0.00 61.98 63.42 1d5g s VAL 37 Cb -0.16 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1d5g s VAL 37 CO 0.06 0.37 -0.12 0.50 0.00 0.00 0.00 175.10 175.91 1d5g h LYS 38 N 5.56 0.00 -2.86 2.72 3.64 -1.23 -2.77 116.57 121.63 1d5g h LYS 38 Ca -0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1d5g h LYS 38 Cb 1.21 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 1d5g h LYS 38 CO 0.71 0.07 0.24 0.00 -2.27 0.00 0.00 179.45 178.21 1d5g s ALA 39 N -2.68 -1.64 -0.14 5.00 0.00 -1.21 -4.67 121.76 116.42 1d5g s ALA 39 Ca -0.14 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 1d5g s ALA 39 Cb 0.02 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 1d5g s ALA 39 CO 0.22 -0.74 0.50 0.54 0.00 0.00 0.00 175.76 176.28 1d5g s VAL 40 N -3.54 5.16 -0.01 0.00 0.11 -1.26 -2.13 120.40 118.72 1d5g s VAL 40 Ca 0.01 0.97 -0.25 0.00 -2.93 0.00 0.00 61.98 59.78 1d5g s VAL 40 Cb -0.01 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1d5g s VAL 40 CO -0.11 0.28 0.79 -0.63 -3.33 0.00 0.00 175.10 172.09 1d5g s ILE 41 N 0.95 4.89 -0.01 7.04 -1.09 -1.20 -4.97 121.20 126.81 1d5g s ILE 41 Ca 0.26 1.65 -0.01 0.00 -2.23 0.00 0.00 60.65 60.32 1d5g s ILE 41 Cb -0.15 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1d5g s ILE 41 CO 0.10 0.27 2.26 -0.81 -1.23 0.00 0.00 174.94 175.54 1d5g n PRO 42 N 3.44 1.19 -3.02 2.79 -0.04 -1.26 -3.98 135.00 134.12 1d5g n PRO 42 Ca -0.00 -0.22 -0.17 0.00 -0.04 0.00 0.00 63.50 63.07 1d5g n PRO 42 Cb 0.51 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1d5g n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1d5g n GLN 43 N 1.62 0.83 -3.83 0.54 6.02 -1.26 -5.04 117.38 116.25 1d5g n GLN 43 Ca 0.08 -2.73 0.01 0.00 -0.01 0.00 0.00 57.00 54.35 1d5g n GLN 43 Cb 0.57 -1.36 0.01 0.00 1.02 0.00 0.00 30.24 30.47 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1d5g s GLY 44 N -1.60 -0.17 0.28 1.08 0.00 -1.26 -4.64 107.32 101.01 1d5g s GLY 44 Ca 0.34 0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.23 1d5g s GLY 44 CO -0.13 2.83 1.72 0.00 0.00 0.00 0.00 173.10 177.52 1d5g h ALA 45 N 2.00 1.09 0.24 3.20 0.00 -1.59 -2.47 119.26 121.73 1d5g h ALA 45 Ca -0.26 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.32 1d5g h ALA 45 Cb 1.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1d5g h ALA 45 CO 0.31 0.56 -0.33 0.00 0.00 0.00 0.00 179.25 179.79 1d5g h ALA 46 N 1.29 -0.65 -0.13 0.00 0.00 -1.79 -0.48 119.26 117.50 1d5g h ALA 46 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1d5g h ALA 46 Cb 0.65 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1d5g h ALA 46 CO 0.05 -0.91 -0.07 1.49 0.00 0.00 0.00 179.25 179.80 1d5g h GLU 47 N -0.63 0.28 -0.22 0.00 4.22 -1.78 -1.88 114.58 114.57 1d5g h GLU 47 Ca 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1d5g h GLU 47 Cb 0.61 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1d5g h GLU 47 CO -0.12 0.63 0.15 0.77 -2.18 0.00 0.00 179.01 178.25 1d5g h SER 48 N -0.07 0.26 0.10 1.04 0.02 -1.45 -3.19 113.55 110.26 1d5g h SER 48 Ca 0.03 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1d5g h SER 48 Cb 0.55 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1d5g h SER 48 CO 0.02 0.20 -0.05 -0.78 -1.14 0.00 0.00 176.83 175.08 1d5g h ASP 49 N 0.30 -0.11 -2.84 3.07 3.58 -1.16 -3.50 116.42 115.76 1d5g h ASP 49 Ca 0.08 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1d5g h ASP 49 Cb -0.02 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1d5g h ASP 49 CO -0.02 0.36 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 1d5g n GLY 50 N 0.17 -0.56 0.00 -0.78 0.00 -0.71 -5.05 105.19 98.26 1d5g n GLY 50 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1d5g n GLY 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d5g n ARG 51 N -0.54 0.13 -4.44 1.61 0.63 -1.26 -5.10 116.66 107.69 1d5g n ARG 51 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1d5g n ARG 51 Cb 0.07 -0.53 -0.10 0.00 0.45 0.00 0.00 32.46 32.34 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1d5g s ILE 52 N -1.06 1.10 0.27 5.15 1.01 -1.26 -5.18 121.20 121.22 1d5g s ILE 52 Ca 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 60.65 58.70 1d5g s ILE 52 Cb 0.00 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1d5g s ILE 52 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 174.94 175.19 1d5g n HIS 53 N -0.67 -0.71 -1.67 3.97 1.44 -1.26 -5.04 115.22 111.28 1d5g n HIS 53 Ca -0.02 -2.21 -0.41 0.00 -2.01 0.00 0.00 57.72 53.07 1d5g n HIS 53 Cb 0.67 0.26 0.01 0.00 0.12 0.00 0.00 29.99 31.05 1d5g n HIS 53 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 1d5g n LYS 54 N -0.50 1.72 -0.98 -1.40 -0.00 -1.26 -2.93 118.16 112.81 1d5g n LYS 54 Ca 0.06 0.61 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 1d5g n LYS 54 Cb 0.48 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.24 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d5g n GLY 55 N 0.94 0.44 3.85 2.58 0.00 -1.05 -4.94 105.19 107.01 1d5g n GLY 55 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.14 6.60 -0.04 1.61 1.01 -1.15 -4.13 116.67 118.44 1d5g s ASP 56 Ca 0.00 1.51 0.00 0.00 0.71 0.00 0.00 52.55 54.77 1d5g s ASP 56 Cb 0.00 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.47 1d5g s ASP 56 CO 0.00 -0.57 -0.01 -0.60 0.21 0.00 0.00 175.17 174.20 1d5g s ARG 57 N -4.08 0.41 0.67 8.23 3.00 -0.75 -3.55 118.95 122.87 1d5g s ARG 57 Ca 0.58 0.05 -0.11 0.00 -1.00 0.00 0.00 55.73 55.25 1d5g s ARG 57 Cb -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 34.95 34.25 1d5g s ARG 57 CO 0.32 -0.14 1.06 0.14 0.00 0.00 0.00 175.30 176.68 1d5g s VAL 58 N 1.11 4.02 0.00 7.11 -7.23 -1.14 0.07 120.40 124.35 1d5g s VAL 58 Ca -0.08 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1d5g s VAL 58 Cb -0.14 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.16 1d5g s VAL 58 CO -0.02 -0.85 0.00 0.18 -0.31 0.00 0.00 175.10 174.10 1d5g n LEU 59 N -2.89 0.00 -4.97 1.32 4.32 0.37 -4.26 117.00 110.89 1d5g n LEU 59 Ca 0.06 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.84 1d5g n LEU 59 Cb 0.56 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 1d5g n LEU 59 CO 0.58 0.00 -0.01 0.00 -1.22 0.00 0.00 177.39 176.74 1d5g s ALA 60 N -2.01 3.94 -0.49 -1.18 0.00 -1.10 -4.33 121.76 116.58 1d5g s ALA 60 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 51.96 50.67 1d5g s ALA 60 Cb 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 23.12 21.48 1d5g s ALA 60 CO 0.00 0.19 0.34 0.08 0.00 0.00 0.00 175.76 176.37 1d5g s VAL 61 N -2.03 3.98 -1.18 0.00 1.01 0.14 -2.80 120.40 119.52 1d5g s VAL 61 Ca 0.36 -2.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 1d5g s VAL 61 Cb -0.09 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1d5g s VAL 61 CO 0.30 -0.78 0.84 -3.20 0.00 0.00 0.00 175.10 172.27 1d5g n ASN 62 N 4.63 -3.62 0.00 3.32 4.05 0.02 -2.18 115.26 121.48 1d5g n ASN 62 Ca -0.04 -0.78 0.00 0.00 0.45 0.00 0.00 54.58 54.22 1d5g n ASN 62 Cb 0.41 -4.52 0.00 0.00 1.23 0.00 0.00 39.78 36.90 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1d5g n GLY 63 N -1.39 2.52 3.66 8.20 0.00 -1.26 -4.99 105.19 111.91 1d5g n GLY 63 Ca -0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.00 4.87 0.11 1.61 1.01 -0.93 -4.91 120.40 121.16 1d5g s VAL 64 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 1d5g s VAL 64 Cb 0.00 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1d5g s VAL 64 CO 0.00 -0.02 1.04 -0.44 0.00 0.00 0.00 175.10 175.68 1d5g s SER 65 N 1.25 7.34 -1.38 3.32 0.01 -1.26 -0.68 113.70 122.30 1d5g s SER 65 Ca 0.36 1.90 -0.08 0.00 1.31 0.00 0.00 55.95 59.44 1d5g s SER 65 Cb -0.16 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.57 1d5g s SER 65 CO 0.10 -0.21 2.35 0.18 0.41 0.00 0.00 173.24 176.07 1d5g n LEU 66 N 3.00 7.75 -4.57 2.44 7.99 -1.26 -4.95 117.00 127.40 1d5g n LEU 66 Ca 0.04 -4.68 -0.40 0.00 -0.01 0.00 0.00 56.01 50.96 1d5g n LEU 66 Cb 0.48 -1.45 -0.03 0.00 -0.11 0.00 0.00 43.42 42.31 1d5g n LEU 66 CO 0.53 1.83 1.69 -1.83 -1.51 0.00 0.00 177.39 178.09 1d5g s GLU 67 N 0.13 2.79 -1.28 3.23 -1.05 -1.26 -2.60 118.70 118.67 1d5g s GLU 67 Ca 0.53 1.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.49 1d5g s GLU 67 Cb 0.16 -4.36 0.00 0.00 -0.44 0.00 0.00 34.13 29.48 1d5g s GLU 67 CO -0.06 -2.51 0.00 0.41 0.95 0.00 0.00 175.26 174.05 1d5g n GLY 68 N 5.67 -0.11 3.84 -3.83 0.00 -1.26 -5.01 105.19 104.49 1d5g n GLY 68 Ca 0.25 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.72 2.88 0.64 4.61 0.00 -1.07 -4.99 121.76 121.12 1d5g s ALA 69 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1d5g s ALA 69 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1d5g s ALA 69 CO 0.00 -0.83 1.03 0.95 0.00 0.00 0.00 175.76 176.92 1d5g s THR 70 N -2.91 4.18 0.20 0.00 -4.23 -1.26 -4.48 115.64 107.14 1d5g s THR 70 Ca 0.58 0.63 -0.10 0.00 -1.18 0.00 0.00 61.69 61.62 1d5g s THR 70 Cb -0.13 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.17 1d5g s THR 70 CO 0.48 -0.89 1.85 -0.74 -0.54 0.00 0.00 174.62 174.77 1d5g h HIS 71 N -0.41 0.98 -0.79 3.99 2.76 -1.87 -2.03 115.15 117.78 1d5g h HIS 71 Ca -0.45 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 57.91 1d5g h HIS 71 Cb 1.22 -0.32 -0.13 0.00 1.55 0.00 0.00 27.41 29.73 1d5g h HIS 71 CO 0.58 0.66 0.13 -0.22 -1.30 0.00 0.00 177.93 177.78 1d5g h LYS 72 N 1.01 0.18 -0.24 5.26 1.63 -1.94 0.06 116.57 122.54 1d5g h LYS 72 Ca 0.27 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.87 1d5g h LYS 72 Cb -0.04 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1d5g h LYS 72 CO -0.05 0.12 -0.57 0.37 -3.45 0.00 0.00 179.45 175.87 1d5g h GLN 73 N 0.19 0.76 -0.69 1.90 5.75 -1.78 0.06 115.11 121.32 1d5g h GLN 73 Ca 0.46 -0.50 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1d5g h GLN 73 Cb 0.84 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.43 1d5g h GLN 73 CO -0.61 1.13 0.19 0.00 -2.65 0.00 0.00 178.83 176.89 1d5g h ALA 74 N 0.77 0.90 -0.14 3.38 0.00 -0.95 -2.05 119.26 121.17 1d5g h ALA 74 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1d5g h ALA 74 Cb 1.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1d5g h ALA 74 CO 0.12 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.21 1d5g h VAL 75 N 1.02 1.30 -0.74 0.00 2.07 -0.91 -2.20 116.25 116.78 1d5g h VAL 75 Ca 0.22 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.82 1d5g h VAL 75 Cb 0.33 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1d5g h VAL 75 CO -0.00 0.30 0.38 -0.08 0.02 0.00 0.00 177.57 178.18 1d5g h GLU 76 N -0.04 0.61 0.03 1.57 4.81 -0.94 -0.49 114.58 120.14 1d5g h GLU 76 Ca 0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1d5g h GLU 76 Cb 0.48 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1d5g h GLU 76 CO 0.02 0.41 -0.01 1.15 -0.73 0.00 0.00 179.01 179.84 1d5g h THR 77 N 0.63 1.07 0.00 0.32 2.02 -1.36 -2.95 112.91 112.64 1d5g h THR 77 Ca 0.37 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1d5g h THR 77 Cb 0.39 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1d5g h THR 77 CO -0.27 0.08 -0.04 0.18 0.37 0.00 0.00 175.52 175.83 1d5g n LEU 78 N -5.04 0.40 0.09 2.58 4.77 -0.83 -2.59 117.00 116.38 1d5g n LEU 78 Ca -0.08 0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1d5g n LEU 78 Cb 0.10 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1d5g n LEU 78 CO 0.33 -0.08 0.29 0.03 -1.33 0.00 0.00 177.39 176.64 1d5g h ARG 79 N 0.00 0.05 -2.61 3.23 3.08 -1.07 -3.36 114.38 113.70 1d5g h ARG 79 Ca 0.00 -0.05 -0.80 0.00 0.07 0.00 0.00 59.98 59.19 1d5g h ARG 79 Cb 0.61 0.02 -0.28 0.00 0.08 0.00 0.00 29.97 30.40 1d5g h ARG 79 CO 0.00 0.85 0.86 -1.71 -1.07 0.00 0.00 179.97 178.91 1d5g n ASN 80 N -3.59 6.79 -0.01 7.04 5.15 -1.07 -4.77 115.26 124.79 1d5g n ASN 80 Ca -0.01 -3.54 -0.01 0.00 -0.60 0.00 0.00 54.58 50.42 1d5g n ASN 80 Cb 0.79 -1.21 -0.00 0.00 -0.53 0.00 0.00 39.78 38.83 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1d5g n THR 81 N 0.70 0.25 0.00 -0.44 -2.24 -1.25 -4.94 114.28 106.36 1d5g n THR 81 Ca 0.35 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.58 1d5g n THR 81 Cb 0.30 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.88 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 1.66 0.15 0.11 3.38 0.00 -1.26 -4.83 105.19 104.41 1d5g n GLY 82 Ca -0.02 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 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 0.20 -6.55 1.61 4.15 -1.99 -3.44 115.11 109.09 1d5g h GLN 83 Ca 0.00 -0.34 -0.68 0.00 0.77 0.00 0.00 58.65 58.40 1d5g h GLN 83 Cb 0.00 0.13 -0.21 0.00 0.21 0.00 0.00 27.48 27.61 1d5g h GLN 83 CO 0.00 1.16 -0.79 0.54 -1.93 0.00 0.00 178.83 177.81 1d5g s VAL 84 N -2.41 2.92 -0.21 2.39 0.11 -1.26 -0.23 120.40 121.71 1d5g s VAL 84 Ca -0.18 -1.16 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1d5g s VAL 84 Cb 0.02 -2.25 0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1d5g s VAL 84 CO 0.76 0.32 -0.08 -0.69 -3.33 0.00 0.00 175.10 172.08 1d5g s VAL 85 N -0.96 1.59 -0.25 2.04 1.01 0.25 -4.94 120.40 119.15 1d5g s VAL 85 Ca 0.15 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.06 1d5g s VAL 85 Cb -0.11 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1d5g s VAL 85 CO 0.06 0.04 -0.11 -1.00 0.00 0.00 0.00 175.10 174.09 1d5g s HIS 86 N 1.40 3.15 0.08 5.22 3.76 -1.26 -0.83 115.29 126.80 1d5g s HIS 86 Ca -0.03 -2.22 0.04 0.00 -0.15 0.00 0.00 55.06 52.70 1d5g s HIS 86 Cb -0.17 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.58 1d5g s HIS 86 CO -0.07 -0.86 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.32 1d5g s LEU 87 N 1.14 2.32 -0.11 0.89 1.43 -1.07 -0.80 118.68 122.48 1d5g s LEU 87 Ca -0.07 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1d5g s LEU 87 Cb -0.19 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1d5g s LEU 87 CO -0.06 -0.15 -0.22 -0.76 0.23 0.00 0.00 176.35 175.39 1d5g s LEU 88 N -1.95 2.05 0.06 1.79 2.01 -1.12 -1.13 118.68 120.39 1d5g s LEU 88 Ca -0.00 -0.55 -0.10 0.00 0.01 0.00 0.00 54.13 53.49 1d5g s LEU 88 Cb -0.08 -1.37 0.00 0.00 0.01 0.00 0.00 46.19 44.76 1d5g s LEU 88 CO 0.01 0.12 0.21 -1.48 1.01 0.00 0.00 176.35 176.23 1d5g s LEU 89 N 0.55 1.29 -0.10 1.79 2.34 -0.49 -0.48 118.68 123.58 1d5g s LEU 89 Ca -0.14 -0.46 -0.01 0.00 0.06 0.00 0.00 54.13 53.58 1d5g s LEU 89 Cb -0.17 1.07 -0.03 0.00 -0.56 0.00 0.00 46.19 46.50 1d5g s LEU 89 CO 0.05 -0.65 -0.04 -0.70 -1.06 0.00 0.00 176.35 173.95 1d5g s GLU 90 N -3.15 3.05 0.10 1.48 2.12 0.11 -0.40 118.70 122.01 1d5g s GLU 90 Ca -0.01 -0.51 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 1d5g s GLU 90 Cb 0.02 -2.73 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 1d5g s GLU 90 CO -0.07 0.56 1.30 0.15 -0.54 0.00 0.00 175.26 176.66 1d5g s LYS 91 N -0.51 4.37 0.77 4.30 1.02 -0.06 -1.82 119.74 127.82 1d5g s LYS 91 Ca 0.08 1.94 -0.09 0.00 0.02 0.00 0.00 55.97 57.92 1d5g s LYS 91 Cb -0.12 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 34.00 1d5g s LYS 91 CO 0.02 -0.34 1.10 0.20 -0.92 0.00 0.00 175.35 175.41 1d5g s GLY 92 N 1.01 1.68 0.60 -3.33 0.00 -1.26 -4.42 107.32 101.61 1d5g s GLY 92 Ca 0.61 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 1d5g s GLY 92 CO 0.30 -0.45 0.83 -1.06 0.00 0.00 0.00 173.10 172.73 1d5g n GLN 93 N -3.14 -0.02 -2.69 2.90 6.02 -1.26 -4.84 117.38 114.35 1d5g n GLN 93 Ca 0.09 -2.21 -0.40 0.00 -0.01 0.00 0.00 57.00 54.48 1d5g n GLN 93 Cb 0.60 -0.56 -0.06 0.00 1.02 0.00 0.00 30.24 31.25 1d5g n GLN 93 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1d5g s SER 94 N -4.35 7.56 0.81 1.08 0.15 -1.26 -5.02 113.70 112.66 1d5g s SER 94 Ca 0.54 2.01 -0.11 0.00 0.70 0.00 0.00 55.95 59.09 1d5g s SER 94 Cb -0.03 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.75 1d5g s SER 94 CO 0.36 0.08 1.10 -2.84 1.20 0.00 0.00 173.24 173.14 1d5g s PRO 95 N -1.14 1.95 0.00 5.44 0.02 -1.26 -5.23 135.00 134.77 1d5g s PRO 95 Ca 0.42 1.19 0.27 0.00 0.02 0.00 0.00 61.00 62.90 1d5g s PRO 95 Cb -0.27 -1.86 0.76 0.00 0.02 0.00 0.00 34.50 33.15 1d5g s PRO 95 CO 0.34 -1.87 1.58 0.25 -0.33 0.00 0.00 177.00 176.97