#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 3.46 0.17 -0.52 1.02 -1.26 -5.03 119.74 117.58 1d5g s LYS 2 Ca 0.00 -0.58 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 1d5g s LYS 2 Cb 0.00 -2.82 0.05 0.00 -0.52 0.00 0.00 37.83 34.53 1d5g s LYS 2 CO 0.00 0.35 1.53 -1.00 -0.92 0.00 0.00 175.35 175.31 1d5g h PRO 3 N 1.20 0.86 -3.16 -1.68 0.13 -1.98 -3.19 132.00 124.17 1d5g h PRO 3 Ca -0.51 -0.42 -0.76 0.00 -0.87 0.00 0.00 66.00 63.44 1d5g h PRO 3 Cb 1.22 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 1d5g h PRO 3 CO 0.62 1.06 0.35 0.41 -0.23 0.00 0.00 178.00 180.21 1d5g n GLY 4 N 0.01 4.58 2.42 1.56 0.00 -1.26 -5.03 105.19 107.47 1d5g n GLY 4 Ca -0.01 -2.64 -0.18 0.00 0.00 0.00 0.00 46.02 43.20 1d5g n GLY 4 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d5g n ASP 5 N 1.95 0.24 -4.78 1.61 -0.08 -1.21 -3.90 116.55 110.39 1d5g n ASP 5 Ca 0.25 -1.39 -0.37 0.00 -1.51 0.00 0.00 54.79 51.76 1d5g n ASP 5 Cb 0.37 -0.58 -0.06 0.00 2.34 0.00 0.00 41.12 43.18 1d5g n ASP 5 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1d5g s ILE 6 N -2.60 4.08 0.06 5.18 1.01 -1.26 -1.15 121.20 126.52 1d5g s ILE 6 Ca 0.46 1.76 -0.14 0.00 0.00 0.00 0.00 60.65 62.73 1d5g s ILE 6 Cb -0.01 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1d5g s ILE 6 CO 0.32 0.17 0.32 0.72 0.00 0.00 0.00 174.94 176.47 1d5g s PHE 7 N -1.55 -0.12 -0.15 3.97 -0.71 -0.54 -4.95 117.98 113.93 1d5g s PHE 7 Ca 0.50 -0.07 -0.00 0.00 -1.04 0.00 0.00 56.93 56.32 1d5g s PHE 7 Cb -0.21 0.13 0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1d5g s PHE 7 CO 0.26 -0.55 -0.07 -1.83 -1.34 0.00 0.00 175.22 171.69 1d5g s GLU 8 N -2.92 1.52 -0.16 1.99 -1.05 -1.26 -1.00 118.70 115.83 1d5g s GLU 8 Ca -0.02 -0.45 -0.05 0.00 -0.15 0.00 0.00 54.97 54.30 1d5g s GLU 8 Cb 0.00 -1.90 -0.03 0.00 -0.44 0.00 0.00 34.13 31.76 1d5g s GLU 8 CO -0.06 -0.37 0.02 0.08 0.95 0.00 0.00 175.26 175.88 1d5g s VAL 9 N 1.64 4.38 -0.24 1.83 1.01 -0.97 -5.00 120.40 123.05 1d5g s VAL 9 Ca 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1d5g s VAL 9 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1d5g s VAL 9 CO -0.08 0.50 -0.01 -0.70 0.00 0.00 0.00 175.10 174.80 1d5g s GLU 10 N 0.18 3.22 0.21 2.72 2.12 -1.26 -2.33 118.70 123.56 1d5g s GLU 10 Ca 0.02 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.62 1d5g s GLU 10 Cb -0.13 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.11 1d5g s GLU 10 CO 0.02 -0.29 0.05 -1.17 -0.54 0.00 0.00 175.26 173.32 1d5g s LEU 11 N 1.46 1.87 0.10 2.70 2.96 -0.12 -5.02 118.68 122.63 1d5g s LEU 11 Ca 0.04 -1.27 0.04 0.00 -0.22 0.00 0.00 54.13 52.72 1d5g s LEU 11 Cb -0.15 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.50 1d5g s LEU 11 CO -0.02 -0.65 -0.11 0.00 -1.32 0.00 0.00 176.35 174.26 1d5g s ALA 12 N -3.72 1.12 0.17 5.97 0.00 -1.26 -0.31 121.76 123.73 1d5g s ALA 12 Ca 0.30 -1.17 -0.33 0.00 0.00 0.00 0.00 51.96 50.76 1d5g s ALA 12 Cb 0.07 0.01 -0.13 0.00 0.00 0.00 0.00 23.12 23.07 1d5g s ALA 12 CO 0.08 -0.01 1.64 1.17 0.00 0.00 0.00 175.76 178.64 1d5g n LYS 13 N 0.63 2.38 0.00 0.00 4.81 0.10 -4.92 118.16 121.17 1d5g n LYS 13 Ca -0.17 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1d5g n LYS 13 Cb 0.57 -2.66 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1d5g n LYS 13 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1d5g n ASN 14 N 3.74 0.00 0.31 3.14 0.23 -1.26 -4.95 115.26 116.46 1d5g n ASN 14 Ca 0.17 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.07 1d5g n ASN 14 Cb 0.31 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.94 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 -0.68 -4.86 0.53 3.32 -2.00 -3.47 116.42 109.25 1d5g h ASP 15 Ca 0.00 -0.03 -0.50 0.00 0.02 0.00 0.00 57.03 56.52 1d5g h ASP 15 Cb 0.00 0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.60 1d5g h ASP 15 CO 0.00 -0.32 -0.47 0.59 -1.72 0.00 0.00 179.24 177.32 1d5g n ASN 16 N -5.34 -0.11 0.00 6.45 3.02 -1.26 -5.06 115.26 112.96 1d5g n ASN 16 Ca -0.11 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 1d5g n ASN 16 Cb 0.35 1.47 0.00 0.00 -0.61 0.00 0.00 39.78 40.99 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1d5g n SER 17 N -1.64 0.00 0.00 6.41 3.41 -1.26 -4.67 113.62 115.87 1d5g n SER 17 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1d5g n SER 17 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.68 0.00 -0.73 1.04 4.77 -1.26 -4.62 117.00 115.52 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 3.37 0.75 3.22 -0.72 0.00 -1.26 -2.45 105.19 108.11 1d5g n GLY 19 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.39 0.04 0.10 -0.61 2.07 -1.26 -3.16 121.20 115.98 1d5g s ILE 20 Ca 0.00 -2.00 0.09 0.00 -1.41 0.00 0.00 60.65 57.33 1d5g s ILE 20 Cb 0.00 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 40.05 1d5g s ILE 20 CO 0.00 0.00 -0.23 -0.55 -1.91 0.00 0.00 174.94 172.25 1d5g s SER 21 N -3.21 2.76 0.21 4.50 0.15 -0.12 -4.79 113.70 113.20 1d5g s SER 21 Ca 0.39 -0.67 0.10 0.00 0.70 0.00 0.00 55.95 56.47 1d5g s SER 21 Cb 0.06 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.15 1d5g s SER 21 CO 0.15 0.12 -0.19 -0.69 1.20 0.00 0.00 173.24 173.82 1d5g s VAL 22 N -1.05 2.12 0.04 4.45 1.01 -1.26 -0.80 120.40 124.91 1d5g s VAL 22 Ca 0.09 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 59.95 1d5g s VAL 22 Cb -0.10 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1d5g s VAL 22 CO 0.04 -0.34 -0.05 0.28 0.00 0.00 0.00 175.10 175.04 1d5g s THR 23 N -2.24 0.32 0.00 3.92 -1.32 -0.70 -4.61 115.64 111.01 1d5g s THR 23 Ca 0.22 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 1d5g s THR 23 Cb -0.05 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 1d5g s THR 23 CO 0.10 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 1d5g n GLY 24 N 1.13 2.37 2.06 6.08 0.00 -1.26 -3.57 105.19 111.99 1d5g n GLY 24 Ca -0.21 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 0.48 0.00 -0.02 0.00 -1.26 -4.67 105.19 99.72 1d5g n GLY 25 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.94 0.00 0.17 1.61 0.24 -1.26 -0.48 118.33 115.66 1d5g n VAL 26 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 1d5g n VAL 26 Cb 0.04 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.36 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 -0.42 -4.27 -1.34 7.08 -1.93 -3.40 115.58 111.30 1d5g h ASN 27 Ca 0.00 -0.06 -0.44 0.00 -3.08 0.00 0.00 56.30 52.72 1d5g h ASN 27 Cb 0.00 0.11 -0.26 0.00 -2.08 0.00 0.00 38.32 36.09 1d5g h ASN 27 CO 0.00 0.02 -0.79 0.28 -2.08 0.00 0.00 177.43 174.86 1d5g s THR 28 N -3.47 1.04 0.00 6.14 -1.32 -1.26 -4.54 115.64 112.24 1d5g s THR 28 Ca -0.09 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1d5g s THR 28 Cb 0.01 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1d5g s THR 28 CO 0.31 0.09 0.00 -0.24 -2.21 0.00 0.00 174.62 172.57 1d5g n SER 29 N 2.21 0.00 -0.05 8.08 2.88 -1.26 -4.88 113.62 120.60 1d5g n SER 29 Ca -0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.26 1d5g n SER 29 Cb 0.55 0.00 -0.06 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 1.26 0.00 2.46 3.04 -1.83 -3.47 116.25 117.71 1d5g h VAL 30 Ca 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 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 -4.74 0.00 -0.90 4.17 1.74 -1.26 -5.01 116.66 110.66 1d5g n ARG 31 Ca -0.05 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.87 1d5g n ARG 31 Cb 0.22 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.55 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 0.52 0.00 -1.55 1.44 -1.26 -4.57 115.22 109.80 1d5g n HIS 32 Ca 0.00 -1.61 0.00 0.00 -2.01 0.00 0.00 57.72 54.10 1d5g n HIS 32 Cb 0.00 -1.60 0.00 0.00 0.12 0.00 0.00 29.99 28.51 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 2.86 1.06 0.00 -1.39 0.00 -1.26 -0.69 105.19 105.77 1d5g n GLY 33 Ca 0.43 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.37 2.10 3.16 -0.02 0.00 -1.26 -4.61 105.19 104.19 1d5g n GLY 34 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.88 1.34 0.00 -0.61 -1.09 -1.10 -4.08 121.20 114.79 1d5g s ILE 35 Ca 0.00 -0.78 0.07 0.00 -2.23 0.00 0.00 60.65 57.71 1d5g s ILE 35 Cb 0.00 -1.13 -0.02 0.00 -1.58 0.00 0.00 42.46 39.73 1d5g s ILE 35 CO 0.00 0.34 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.38 1d5g s TYR 36 N -0.46 1.80 -0.08 3.97 6.14 -1.23 -1.41 117.35 126.08 1d5g s TYR 36 Ca 0.06 -0.35 -0.30 0.00 0.64 0.00 0.00 57.07 57.13 1d5g s TYR 36 Cb -0.07 -1.13 -0.02 0.00 0.42 0.00 0.00 41.96 41.16 1d5g s TYR 36 CO -0.00 0.01 1.07 0.08 0.64 0.00 0.00 175.55 177.35 1d5g s VAL 37 N -0.57 4.59 -0.11 3.14 1.01 -0.89 -1.72 120.40 125.84 1d5g s VAL 37 Ca 0.08 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 1d5g s VAL 37 Cb -0.08 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1d5g s VAL 37 CO 0.00 0.02 0.01 0.50 0.00 0.00 0.00 175.10 175.63 1d5g h LYS 38 N 7.18 0.00 -2.10 2.72 3.64 -1.22 -2.98 116.57 123.81 1d5g h LYS 38 Ca -0.33 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.28 1d5g h LYS 38 Cb 1.16 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.90 1d5g h LYS 38 CO 0.85 0.08 0.63 0.00 -2.27 0.00 0.00 179.45 178.75 1d5g s ALA 39 N -2.57 -1.86 0.09 5.00 0.00 -1.20 -4.63 121.76 116.59 1d5g s ALA 39 Ca -0.05 0.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1d5g s ALA 39 Cb 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 23.12 23.65 1d5g s ALA 39 CO 0.11 -1.06 0.63 0.54 0.00 0.00 0.00 175.76 175.98 1d5g s VAL 40 N -2.74 4.64 -0.23 0.00 0.11 -1.26 -0.95 120.40 119.97 1d5g s VAL 40 Ca 0.16 1.36 -0.24 0.00 -2.93 0.00 0.00 61.98 60.32 1d5g s VAL 40 Cb 0.00 -3.97 -0.01 0.00 -1.53 0.00 0.00 36.38 30.88 1d5g s VAL 40 CO 0.01 0.54 0.80 -0.63 -3.33 0.00 0.00 175.10 172.49 1d5g s ILE 41 N -1.07 4.86 0.00 7.04 -1.09 -1.19 -4.89 121.20 124.87 1d5g s ILE 41 Ca 0.31 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 1d5g s ILE 41 Cb -0.20 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1d5g s ILE 41 CO 0.21 -0.04 1.39 -0.81 -1.23 0.00 0.00 174.94 174.46 1d5g n PRO 42 N 5.82 0.98 -3.12 2.79 -0.04 -1.26 -3.88 135.00 136.29 1d5g n PRO 42 Ca 0.05 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 1d5g n PRO 42 Cb 0.48 -1.01 -0.04 0.00 -0.04 0.00 0.00 33.50 32.89 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 0.92 0.75 -3.65 0.54 0.00 -1.26 -5.03 117.38 109.65 1d5g n GLN 43 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 57.00 54.01 1d5g n GLN 43 Cb 0.49 -1.30 -0.01 0.00 0.00 0.00 0.00 30.24 29.43 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 -1.39 -0.38 0.35 1.69 0.00 -1.25 -4.85 107.32 101.49 1d5g s GLY 44 Ca 0.35 0.58 0.12 0.00 0.00 0.00 0.00 44.72 45.77 1d5g s GLY 44 CO -0.13 0.10 1.78 0.00 0.00 0.00 0.00 173.10 174.85 1d5g h ALA 45 N 2.00 1.28 0.24 3.20 0.00 -1.76 -3.15 119.26 121.08 1d5g h ALA 45 Ca -0.29 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1d5g h ALA 45 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1d5g h ALA 45 CO 0.28 0.53 -0.14 0.00 0.00 0.00 0.00 179.25 179.92 1d5g h ALA 46 N 1.57 -0.35 -0.35 0.00 0.00 -1.74 0.84 119.26 119.23 1d5g h ALA 46 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d5g h ALA 46 Cb 0.76 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1d5g h ALA 46 CO 0.06 -0.71 0.22 1.49 0.00 0.00 0.00 179.25 180.31 1d5g h GLU 47 N -0.36 0.47 0.47 0.00 4.57 -1.82 0.33 114.58 118.23 1d5g h GLU 47 Ca -0.03 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1d5g h GLU 47 Cb 0.30 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1d5g h GLU 47 CO 0.03 0.33 -0.23 0.77 -1.18 0.00 0.00 179.01 178.74 1d5g h SER 48 N 0.47 -0.53 0.19 1.04 0.02 -1.48 -3.28 113.55 109.97 1d5g h SER 48 Ca 0.13 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.83 1d5g h SER 48 Cb -0.03 0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.67 1d5g h SER 48 CO -0.03 -0.36 -1.02 -0.78 -1.14 0.00 0.00 176.83 173.50 1d5g h ASP 49 N -0.65 0.72 -1.87 3.07 3.58 -0.88 -3.50 116.42 116.89 1d5g h ASP 49 Ca -0.06 -0.59 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1d5g h ASP 49 Cb 0.50 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1d5g h ASP 49 CO 0.11 1.39 0.00 0.61 -2.88 0.00 0.00 179.24 178.47 1d5g n GLY 50 N 1.06 -1.57 1.92 -0.78 0.00 0.10 -5.08 105.19 100.85 1d5g n GLY 50 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 0.00 -4.65 1.61 5.12 -1.19 -5.06 116.66 112.43 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.67 1d5g n ARG 51 Cb 0.00 -0.04 -0.16 0.00 -1.16 0.00 0.00 32.46 31.10 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 -2.00 1.22 0.43 0.55 1.01 -1.26 -5.13 121.20 116.02 1d5g s ILE 52 Ca 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1d5g s ILE 52 Cb 0.00 -1.09 -0.06 0.00 0.01 0.00 0.00 42.46 41.32 1d5g s ILE 52 CO 0.00 0.37 0.06 -1.00 0.00 0.00 0.00 174.94 174.37 1d5g s HIS 53 N 0.54 2.40 0.05 3.97 3.76 -1.26 -4.88 115.29 119.87 1d5g s HIS 53 Ca -0.13 -0.70 -0.30 0.00 -0.15 0.00 0.00 55.06 53.78 1d5g s HIS 53 Cb -0.15 -1.80 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 1d5g s HIS 53 CO 0.04 0.32 1.96 0.21 -0.85 0.00 0.00 174.74 176.41 1d5g s LYS 54 N -3.80 4.14 -0.27 1.40 2.20 -1.26 -1.89 119.74 120.26 1d5g s LYS 54 Ca 0.32 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 1d5g s LYS 54 Cb 0.07 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1d5g s LYS 54 CO 0.17 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 1d5g n GLY 55 N 4.52 0.42 3.81 5.54 0.00 -1.13 -4.77 105.19 113.58 1d5g n GLY 55 Ca 0.20 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.92 6.04 -0.23 1.61 1.01 -0.79 -3.90 116.67 117.48 1d5g s ASP 56 Ca 0.00 1.77 0.01 0.00 0.71 0.00 0.00 52.55 55.04 1d5g s ASP 56 Cb 0.00 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.46 1d5g s ASP 56 CO 0.00 -0.99 -0.07 -0.60 0.21 0.00 0.00 175.17 173.72 1d5g s ARG 57 N -3.99 1.77 0.11 8.23 3.52 -0.51 -2.10 118.95 125.97 1d5g s ARG 57 Ca 0.63 -1.03 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 1d5g s ARG 57 Cb -0.15 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.59 1d5g s ARG 57 CO 0.34 -0.57 0.19 0.14 -0.81 0.00 0.00 175.30 174.59 1d5g s VAL 58 N 1.35 5.02 0.00 7.11 -7.23 -0.50 -0.27 120.40 125.87 1d5g s VAL 58 Ca -0.06 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 1d5g s VAL 58 Cb -0.19 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1d5g s VAL 58 CO -0.06 0.01 0.00 -0.11 -0.31 0.00 0.00 175.10 174.63 1d5g n LEU 59 N -0.08 0.00 -4.77 1.32 7.94 -0.66 -2.71 117.00 118.04 1d5g n LEU 59 Ca -0.07 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.46 1d5g n LEU 59 Cb 0.53 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.42 1d5g n LEU 59 CO 0.48 -0.12 0.08 0.00 -1.11 0.00 0.00 177.39 176.72 1d5g s ALA 60 N -2.00 3.60 -0.79 1.96 0.00 -1.17 -4.14 121.76 119.21 1d5g s ALA 60 Ca 0.00 -0.29 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 1d5g s ALA 60 Cb 0.00 -2.46 0.21 0.00 0.00 0.00 0.00 23.12 20.87 1d5g s ALA 60 CO 0.00 0.22 0.72 0.54 0.00 0.00 0.00 175.76 177.24 1d5g s VAL 61 N -0.09 5.35 -1.03 0.00 0.11 -0.35 -2.41 120.40 121.97 1d5g s VAL 61 Ca 0.22 -2.52 -0.09 0.00 -2.93 0.00 0.00 61.98 56.66 1d5g s VAL 61 Cb -0.15 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.34 1d5g s VAL 61 CO 0.09 -1.00 0.85 -3.20 -3.33 0.00 0.00 175.10 168.51 1d5g n ASN 62 N 3.93 -6.40 0.00 3.54 5.15 -0.51 -3.35 115.26 117.63 1d5g n ASN 62 Ca 0.12 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 1d5g n ASN 62 Cb 0.46 -4.62 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 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 -1.44 2.13 3.68 8.20 0.00 -1.26 -4.99 105.19 111.51 1d5g n GLY 63 Ca -0.07 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.31 5.02 0.48 1.61 1.01 -1.21 -4.89 120.40 122.11 1d5g s VAL 64 Ca 0.00 1.27 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 1d5g s VAL 64 Cb 0.00 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1d5g s VAL 64 CO 0.00 0.14 1.04 -0.55 0.00 0.00 0.00 175.10 175.73 1d5g s SER 65 N 1.08 6.39 0.00 3.32 0.15 -1.26 -1.21 113.70 122.16 1d5g s SER 65 Ca 0.31 1.93 0.24 0.00 0.70 0.00 0.00 55.95 59.13 1d5g s SER 65 Cb -0.16 -2.56 0.24 0.00 -1.71 0.00 0.00 66.02 61.83 1d5g s SER 65 CO 0.12 -0.75 1.23 0.00 1.20 0.00 0.00 173.24 175.05 1d5g n LEU 66 N -0.89 1.00 -4.70 3.45 -0.00 -1.26 -4.94 117.00 109.66 1d5g n LEU 66 Ca 0.09 -0.32 -0.42 0.00 -0.00 0.00 0.00 56.01 55.35 1d5g n LEU 66 Cb 0.52 -0.11 -0.03 0.00 -0.00 0.00 0.00 43.42 43.81 1d5g n LEU 66 CO 0.40 0.22 1.46 -1.83 -0.00 0.00 0.00 177.39 177.63 1d5g s GLU 67 N -2.82 4.13 0.00 1.47 -1.05 -1.26 -1.04 118.70 118.13 1d5g s GLU 67 Ca 0.14 2.61 0.00 0.00 -0.15 0.00 0.00 54.97 57.57 1d5g s GLU 67 Cb 0.17 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.39 1d5g s GLU 67 CO 0.70 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 176.49 1d5g n GLY 68 N 4.18 3.25 3.84 -3.83 0.00 0.13 -5.00 105.19 107.77 1d5g n GLY 68 Ca 0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.08 2.50 0.51 4.61 0.00 -0.21 -4.92 121.76 124.18 1d5g s ALA 69 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1d5g s ALA 69 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1d5g s ALA 69 CO 0.00 -1.54 0.73 0.95 0.00 0.00 0.00 175.76 175.90 1d5g s THR 70 N -3.29 3.22 0.25 0.00 -4.23 -1.26 -4.47 115.64 105.86 1d5g s THR 70 Ca 0.60 -0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1d5g s THR 70 Cb -0.13 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 70.86 1d5g s THR 70 CO 0.53 -0.14 1.58 -0.74 -0.54 0.00 0.00 174.62 175.30 1d5g h HIS 71 N 0.21 -0.58 0.00 3.99 2.76 -0.99 0.43 115.15 120.97 1d5g h HIS 71 Ca -0.44 0.08 -0.09 0.00 -2.20 0.00 0.00 60.37 57.72 1d5g h HIS 71 Cb 1.28 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 1d5g h HIS 71 CO 0.40 -0.38 -0.45 -0.22 -1.30 0.00 0.00 177.93 175.99 1d5g h LYS 72 N -0.01 0.00 -0.04 5.26 1.63 -1.93 -0.09 116.57 121.39 1d5g h LYS 72 Ca 0.40 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.12 1d5g h LYS 72 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1d5g h LYS 72 CO -0.90 0.45 -0.28 0.37 -3.45 0.00 0.00 179.45 175.64 1d5g h GLN 73 N 0.00 0.26 -0.27 1.90 5.75 -1.78 -3.15 115.11 117.82 1d5g h GLN 73 Ca -0.00 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.19 1d5g h GLN 73 Cb 0.85 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.43 1d5g h GLN 73 CO 0.06 0.89 -0.16 0.00 -2.65 0.00 0.00 178.83 176.97 1d5g h ALA 74 N 0.37 1.22 -0.01 3.38 0.00 -0.80 -2.85 119.26 120.57 1d5g h ALA 74 Ca -0.02 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1d5g h ALA 74 Cb 0.96 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1d5g h ALA 74 CO 0.06 0.50 -0.57 -0.24 0.00 0.00 0.00 179.25 179.00 1d5g h VAL 75 N 0.44 1.41 -0.18 0.00 3.04 -1.12 -2.08 116.25 117.75 1d5g h VAL 75 Ca 0.08 -1.94 -0.01 0.00 -1.01 0.00 0.00 66.70 63.81 1d5g h VAL 75 Cb 0.53 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 1d5g h VAL 75 CO 0.03 0.56 0.06 -0.08 -1.01 0.00 0.00 177.57 177.13 1d5g h GLU 76 N 0.01 0.28 -1.00 4.17 4.81 -1.46 0.92 114.58 122.30 1d5g h GLU 76 Ca -0.01 -0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1d5g h GLU 76 Cb 1.01 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 1d5g h GLU 76 CO 0.07 0.37 0.64 1.15 -0.73 0.00 0.00 179.01 180.52 1d5g h THR 77 N 0.13 0.99 0.08 0.32 2.02 -1.46 -2.70 112.91 112.28 1d5g h THR 77 Ca 0.06 -0.37 -0.26 0.00 0.77 0.00 0.00 66.41 66.62 1d5g h THR 77 Cb 0.21 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1d5g h THR 77 CO -0.00 0.19 -1.21 0.25 0.37 0.00 0.00 175.52 175.12 1d5g h LEU 78 N 1.07 0.25 -0.73 2.58 6.46 -1.06 -3.28 115.31 120.60 1d5g h LEU 78 Ca 0.47 -0.29 -0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1d5g h LEU 78 Cb 0.36 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1d5g h LEU 78 CO -0.23 1.23 -0.59 0.03 -0.62 0.00 0.00 178.44 178.26 1d5g h ARG 79 N 0.04 0.16 -2.95 1.25 3.08 -0.78 -3.34 114.38 111.84 1d5g h ARG 79 Ca -0.11 -0.11 -0.74 0.00 0.07 0.00 0.00 59.98 59.09 1d5g h ARG 79 Cb 1.91 0.01 -0.12 0.00 0.08 0.00 0.00 29.97 31.85 1d5g h ARG 79 CO 0.17 0.70 2.39 0.09 -1.07 0.00 0.00 179.97 182.25 1d5g n ASN 80 N -3.87 7.05 0.00 7.04 3.02 -1.03 -4.51 115.26 122.97 1d5g n ASN 80 Ca -0.02 -3.09 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 1d5g n ASN 80 Cb 0.60 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 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 2.42 0.00 0.00 3.41 -2.24 -1.26 -4.97 114.28 111.64 1d5g n THR 81 Ca 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1d5g n THR 81 Cb 0.29 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 3.22 1.56 0.06 3.38 0.00 -1.26 -4.83 105.19 107.32 1d5g n GLY 82 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -6.00 1.61 4.15 -1.99 -3.43 115.11 109.45 1d5g h GLN 83 Ca 0.00 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.76 1d5g h GLN 83 Cb 0.00 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.58 1d5g h GLN 83 CO 0.00 0.26 -0.59 0.14 -1.93 0.00 0.00 178.83 176.72 1d5g s VAL 84 N -1.80 4.64 -0.46 2.39 -7.23 -1.26 -0.72 120.40 115.96 1d5g s VAL 84 Ca -0.07 -0.39 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1d5g s VAL 84 Cb -0.00 -3.09 0.12 0.00 0.56 0.00 0.00 36.38 33.97 1d5g s VAL 84 CO 0.20 0.40 0.19 -0.69 -0.31 0.00 0.00 175.10 174.89 1d5g s VAL 85 N -1.14 2.60 -0.17 1.32 1.01 0.57 -4.93 120.40 119.66 1d5g s VAL 85 Ca 0.21 -2.87 0.01 0.00 0.00 0.00 0.00 61.98 59.33 1d5g s VAL 85 Cb -0.12 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1d5g s VAL 85 CO 0.12 -0.73 -0.19 -2.28 0.00 0.00 0.00 175.10 172.02 1d5g s HIS 86 N 0.24 2.76 0.15 5.22 5.04 -1.26 -0.95 115.29 126.49 1d5g s HIS 86 Ca 0.14 -1.49 -0.10 0.00 -1.54 0.00 0.00 55.06 52.07 1d5g s HIS 86 Cb -0.23 -1.90 -0.00 0.00 0.04 0.00 0.00 32.58 30.49 1d5g s HIS 86 CO -0.03 -0.72 0.29 -0.48 -2.34 0.00 0.00 174.74 171.46 1d5g s LEU 87 N 1.14 0.94 -0.16 8.88 2.34 -0.98 -1.42 118.68 129.41 1d5g s LEU 87 Ca 0.01 -0.77 0.01 0.00 0.06 0.00 0.00 54.13 53.45 1d5g s LEU 87 Cb -0.14 1.28 0.02 0.00 -0.56 0.00 0.00 46.19 46.79 1d5g s LEU 87 CO -0.09 -0.88 -0.19 -0.76 -1.06 0.00 0.00 176.35 173.38 1d5g s LEU 88 N -2.93 2.02 0.38 1.48 1.02 -1.01 -2.30 118.68 117.33 1d5g s LEU 88 Ca 0.13 -0.60 0.07 0.00 0.02 0.00 0.00 54.13 53.76 1d5g s LEU 88 Cb 0.03 -1.39 -0.07 0.00 0.02 0.00 0.00 46.19 44.77 1d5g s LEU 88 CO -0.03 0.01 -0.02 -0.76 0.02 0.00 0.00 176.35 175.57 1d5g s LEU 89 N 1.19 2.76 -0.08 1.79 1.02 -0.17 -1.65 118.68 123.54 1d5g s LEU 89 Ca 0.01 -1.31 0.04 0.00 0.02 0.00 0.00 54.13 52.89 1d5g s LEU 89 Cb -0.14 -0.87 0.00 0.00 0.02 0.00 0.00 46.19 45.20 1d5g s LEU 89 CO -0.09 -0.39 -0.19 -0.70 0.02 0.00 0.00 176.35 175.00 1d5g s GLU 90 N -3.70 2.42 0.30 1.70 2.12 0.62 -1.47 118.70 120.70 1d5g s GLU 90 Ca 0.34 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.68 1d5g s GLU 90 Cb 0.07 -1.91 -0.10 0.00 0.26 0.00 0.00 34.13 32.46 1d5g s GLU 90 CO 0.17 0.15 1.24 0.21 -0.54 0.00 0.00 175.26 176.49 1d5g s LYS 91 N 0.38 4.46 0.00 4.30 2.20 -0.30 -1.43 119.74 129.35 1d5g s LYS 91 Ca -0.15 2.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.52 1d5g s LYS 91 Cb -0.16 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1d5g s LYS 91 CO 0.06 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 1d5g n GLY 92 N 1.13 -0.12 3.94 5.54 0.00 -1.25 -4.56 105.19 109.86 1d5g n GLY 92 Ca 0.00 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 3.50 -0.15 1.61 -0.21 -1.26 -4.61 119.66 118.54 1d5g s GLN 93 Ca 0.00 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.71 1d5g s GLN 93 Cb 0.00 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.21 1d5g s GLN 93 CO 0.00 0.33 0.97 0.45 -2.12 0.00 0.00 175.29 174.92 1d5g s SER 94 N -3.52 7.14 -0.00 5.90 0.15 -1.26 -4.99 113.70 117.12 1d5g s SER 94 Ca 0.38 1.41 -0.30 0.00 0.70 0.00 0.00 55.95 58.14 1d5g s SER 94 Cb -0.10 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1d5g s SER 94 CO 0.31 -0.48 1.20 -2.16 1.20 0.00 0.00 173.24 173.30 1d5g s PRO 95 N 2.30 4.39 0.00 5.44 0.04 -1.26 -5.26 135.00 140.66 1d5g s PRO 95 Ca 0.45 1.71 0.26 0.00 0.04 0.00 0.00 61.00 63.46 1d5g s PRO 95 Cb -0.17 -3.47 0.64 0.00 0.04 0.00 0.00 34.50 31.54 1d5g s PRO 95 CO 0.14 -0.35 1.51 -2.37 0.04 0.00 0.00 177.00 175.97