#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 2.08 0.39 0.54 -2.85 -1.26 -4.99 119.74 113.65 1d5g s LYS 2 Ca 0.00 0.26 0.11 0.00 -1.00 0.00 0.00 55.97 55.34 1d5g s LYS 2 Cb 0.00 -1.95 0.79 0.00 -2.06 0.00 0.00 37.83 34.61 1d5g s LYS 2 CO 0.00 -1.54 1.89 -1.00 0.10 0.00 0.00 175.35 174.80 1d5g h PRO 3 N -1.02 0.13 -5.17 1.78 0.13 -2.04 -3.19 132.00 122.62 1d5g h PRO 3 Ca -0.46 -0.04 -0.71 0.00 -0.87 0.00 0.00 66.00 63.92 1d5g h PRO 3 Cb 1.31 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 1d5g h PRO 3 CO 0.64 0.35 1.55 0.20 -0.23 0.00 0.00 178.00 180.51 1d5g s GLY 4 N -4.15 2.08 0.53 1.56 0.00 -1.26 -5.01 107.32 101.06 1d5g s GLY 4 Ca -0.04 -3.11 -0.15 0.00 0.00 0.00 0.00 44.72 41.42 1d5g s GLY 4 CO 0.73 2.27 0.98 0.51 0.00 0.00 0.00 173.10 177.59 1d5g s ASP 5 N 3.43 6.51 0.04 1.64 -4.77 -1.21 -4.55 116.67 117.77 1d5g s ASP 5 Ca 0.45 1.49 -0.23 0.00 -3.30 0.00 0.00 52.55 50.96 1d5g s ASP 5 Cb -0.01 -2.48 -0.06 0.00 -1.09 0.00 0.00 42.92 39.28 1d5g s ASP 5 CO 0.01 -0.65 0.69 -0.63 0.70 0.00 0.00 175.17 175.29 1d5g s ILE 6 N -2.75 4.75 0.17 2.11 1.01 -1.26 -1.45 121.20 123.78 1d5g s ILE 6 Ca 0.57 1.46 -0.06 0.00 0.00 0.00 0.00 60.65 62.62 1d5g s ILE 6 Cb -0.10 -4.03 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 1d5g s ILE 6 CO 0.37 0.42 0.23 0.72 0.00 0.00 0.00 174.94 176.68 1d5g s PHE 7 N -0.33 0.62 0.03 3.97 -0.71 -0.07 -4.99 117.98 116.49 1d5g s PHE 7 Ca 0.35 -0.96 0.07 0.00 -1.04 0.00 0.00 56.93 55.34 1d5g s PHE 7 Cb -0.20 -0.20 -0.02 0.00 -1.21 0.00 0.00 43.02 41.38 1d5g s PHE 7 CO 0.21 -0.69 -0.21 -1.83 -1.34 0.00 0.00 175.22 171.36 1d5g s GLU 8 N -4.02 1.45 0.05 1.99 -1.05 -1.26 -1.43 118.70 114.43 1d5g s GLU 8 Ca 0.23 -0.89 0.01 0.00 -0.15 0.00 0.00 54.97 54.17 1d5g s GLU 8 Cb 0.04 -1.52 -0.04 0.00 -0.44 0.00 0.00 34.13 32.18 1d5g s GLU 8 CO 0.03 0.39 0.12 0.14 0.95 0.00 0.00 175.26 176.90 1d5g s VAL 9 N -0.72 4.86 -0.40 1.83 -7.23 -0.78 -5.00 120.40 112.96 1d5g s VAL 9 Ca 0.07 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1d5g s VAL 9 Cb -0.09 -3.32 0.12 0.00 0.56 0.00 0.00 36.38 33.66 1d5g s VAL 9 CO 0.01 0.19 0.18 -0.70 -0.31 0.00 0.00 175.10 174.48 1d5g s GLU 10 N -2.25 1.15 0.29 4.82 2.12 -1.26 -2.84 118.70 120.74 1d5g s GLU 10 Ca 0.29 -1.75 0.09 0.00 0.36 0.00 0.00 54.97 53.96 1d5g s GLU 10 Cb -0.12 -2.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.88 1d5g s GLU 10 CO 0.22 -1.09 -0.12 -1.17 -0.54 0.00 0.00 175.26 172.56 1d5g s LEU 11 N 0.74 2.60 0.28 2.70 2.96 -0.45 -5.00 118.68 122.51 1d5g s LEU 11 Ca 0.15 -1.13 0.02 0.00 -0.22 0.00 0.00 54.13 52.95 1d5g s LEU 11 Cb -0.22 -0.87 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 1d5g s LEU 11 CO -0.07 -0.18 0.12 0.00 -1.32 0.00 0.00 176.35 174.90 1d5g s ALA 12 N -2.76 1.86 -0.53 5.97 0.00 -1.26 -0.23 121.76 124.81 1d5g s ALA 12 Ca 0.30 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 1d5g s ALA 12 Cb 0.01 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 24.20 1d5g s ALA 12 CO 0.13 -0.48 1.70 0.21 0.00 0.00 0.00 175.76 177.32 1d5g s LYS 13 N -3.93 3.01 0.00 0.00 2.20 0.43 -4.83 119.74 116.62 1d5g s LYS 13 Ca 0.36 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1d5g s LYS 13 Cb 0.06 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1d5g s LYS 13 CO 0.15 -2.27 0.00 0.27 -0.36 0.00 0.00 175.35 173.14 1d5g n ASN 14 N 11.14 0.00 0.00 1.43 0.23 -1.26 -4.88 115.26 121.92 1d5g n ASN 14 Ca 0.18 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 1d5g n ASN 14 Cb 0.50 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1d5g n ASN 14 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1d5g n ASP 15 N -2.36 0.00 -2.69 0.53 -0.08 -1.26 -5.02 116.55 105.67 1d5g n ASP 15 Ca 0.00 0.39 -0.15 0.00 -1.51 0.00 0.00 54.79 53.53 1d5g n ASP 15 Cb 0.00 -0.15 -0.05 0.00 2.34 0.00 0.00 41.12 43.25 1d5g n ASP 15 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1d5g n ASN 16 N -0.96 -0.19 -0.03 1.67 3.02 -1.26 -4.96 115.26 112.55 1d5g n ASN 16 Ca 0.00 -2.55 -0.00 0.00 -0.03 0.00 0.00 54.58 52.00 1d5g n ASN 16 Cb 0.00 1.10 -0.00 0.00 -0.61 0.00 0.00 39.78 40.26 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1d5g h SER 17 N 1.39 -0.03 0.00 6.41 0.87 -1.86 -2.65 113.55 117.69 1d5g h SER 17 Ca -0.18 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1d5g h SER 17 Cb 0.85 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1d5g h SER 17 CO 0.26 0.40 0.00 0.18 -0.53 0.00 0.00 176.83 177.14 1d5g n LEU 18 N -4.39 0.00 0.00 2.23 4.32 -1.26 -4.05 117.00 113.85 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 0.01 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1d5g n LEU 18 CO 0.01 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 1d5g n GLY 19 N 3.08 0.75 3.32 -0.72 0.00 -1.26 -1.17 105.19 109.19 1d5g n GLY 19 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.48 0.03 0.23 -0.61 2.07 -1.26 -0.78 121.20 119.40 1d5g s ILE 20 Ca 0.00 -0.25 0.10 0.00 -1.41 0.00 0.00 60.65 59.09 1d5g s ILE 20 Cb 0.00 -0.69 -0.05 0.00 0.13 0.00 0.00 42.46 41.85 1d5g s ILE 20 CO 0.00 -0.14 -0.19 -0.55 -1.91 0.00 0.00 174.94 172.15 1d5g s SER 21 N -0.89 3.21 0.30 4.50 0.15 0.20 -4.86 113.70 116.31 1d5g s SER 21 Ca -0.09 -0.98 0.10 0.00 0.70 0.00 0.00 55.95 55.67 1d5g s SER 21 Cb -0.04 -0.24 -0.06 0.00 -1.71 0.00 0.00 66.02 63.98 1d5g s SER 21 CO 0.04 -0.01 -0.14 -0.69 1.20 0.00 0.00 173.24 173.65 1d5g s VAL 22 N -2.43 2.21 -0.01 4.45 1.01 -1.26 -2.37 120.40 122.00 1d5g s VAL 22 Ca 0.25 -2.28 -0.12 0.00 0.00 0.00 0.00 61.98 59.83 1d5g s VAL 22 Cb -0.05 -2.42 0.02 0.00 0.00 0.00 0.00 36.38 33.93 1d5g s VAL 22 CO 0.11 -0.33 0.24 0.28 0.00 0.00 0.00 175.10 175.40 1d5g s THR 23 N -2.66 0.07 0.00 3.92 -1.32 -1.22 -4.72 115.64 109.70 1d5g s THR 23 Ca 0.30 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.24 1d5g s THR 23 Cb -0.01 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1d5g s THR 23 CO 0.14 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 1d5g n GLY 24 N 1.39 0.12 0.74 6.08 0.00 -1.26 -3.59 105.19 108.66 1d5g n GLY 24 Ca -0.22 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 0.80 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.88 1d5g n GLY 25 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.37 0.00 -0.01 1.61 0.31 -1.26 -1.67 118.33 114.95 1d5g n VAL 26 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 1d5g n VAL 26 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1d5g n VAL 26 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1d5g h ASN 27 N 0.00 0.37 -4.76 4.52 2.35 -1.96 -3.38 115.58 112.72 1d5g h ASN 27 Ca 0.00 -0.89 -0.25 0.00 -0.55 0.00 0.00 56.30 54.61 1d5g h ASN 27 Cb 0.00 -0.12 -0.20 0.00 0.05 0.00 0.00 38.32 38.05 1d5g h ASN 27 CO 0.00 1.80 -0.72 0.28 -1.65 0.00 0.00 177.43 177.14 1d5g s THR 28 N -2.53 0.54 0.00 2.81 -1.32 -1.26 -4.49 115.64 109.39 1d5g s THR 28 Ca -0.23 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 58.96 1d5g s THR 28 Cb 0.06 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1d5g s THR 28 CO 0.75 -0.52 0.00 -0.24 -2.21 0.00 0.00 174.62 172.40 1d5g n SER 29 N 1.08 0.00 -0.01 8.08 2.88 -1.26 -4.77 113.62 119.61 1d5g n SER 29 Ca -0.20 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.23 1d5g n SER 29 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 1d5g n SER 29 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1d5g h VAL 30 N 0.00 1.19 0.00 2.46 2.07 -1.69 -3.47 116.25 116.81 1d5g h VAL 30 Ca 0.00 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 65.98 1d5g h VAL 30 Cb 0.00 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1d5g h VAL 30 CO 0.00 0.35 0.00 -2.11 0.02 0.00 0.00 177.57 175.83 1d5g n ARG 31 N -4.79 1.90 -1.35 1.57 1.85 -1.26 -4.98 116.66 109.60 1d5g n ARG 31 Ca -0.08 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.38 1d5g n ARG 31 Cb 0.31 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 1d5g n HIS 32 N 0.00 2.54 0.00 2.89 -0.00 -1.26 -4.71 115.22 114.69 1d5g n HIS 32 Ca 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 57.72 55.25 1d5g n HIS 32 Cb 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 29.99 27.84 1d5g n HIS 32 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1d5g n GLY 33 N 4.13 -0.08 0.00 -1.39 0.00 -1.26 -2.54 105.19 104.05 1d5g n GLY 33 Ca 0.54 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.54 1.86 3.32 -0.02 0.00 -1.26 -3.01 105.19 105.53 1d5g n GLY 34 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.27 1.60 0.19 -0.61 -1.09 -1.26 -4.05 121.20 113.71 1d5g s ILE 35 Ca 0.00 -2.13 0.09 0.00 -2.23 0.00 0.00 60.65 56.38 1d5g s ILE 35 Cb 0.00 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1d5g s ILE 35 CO 0.00 -0.60 -0.18 -0.31 -1.23 0.00 0.00 174.94 172.63 1d5g s TYR 36 N -2.92 1.88 -0.15 3.97 2.02 -1.24 -4.02 117.35 116.89 1d5g s TYR 36 Ca 0.20 -0.47 -0.18 0.00 -0.37 0.00 0.00 57.07 56.25 1d5g s TYR 36 Cb -0.01 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.62 1d5g s TYR 36 CO 0.05 0.40 0.46 0.08 -1.57 0.00 0.00 175.55 174.97 1d5g s VAL 37 N -2.36 5.19 -0.04 0.71 1.01 -1.23 -3.44 120.40 120.23 1d5g s VAL 37 Ca 0.20 0.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 1d5g s VAL 37 Cb -0.04 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1d5g s VAL 37 CO 0.08 0.29 -0.08 1.17 0.00 0.00 0.00 175.10 176.56 1d5g n LYS 38 N 3.99 0.13 -3.59 2.72 4.81 -1.00 -3.20 118.16 122.03 1d5g n LYS 38 Ca -0.07 0.13 -0.15 0.00 -0.87 0.00 0.00 58.31 57.35 1d5g n LYS 38 Cb 0.51 -0.81 -0.06 0.00 0.02 0.00 0.00 35.03 34.69 1d5g n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d5g s ALA 39 N -2.96 -1.35 -0.25 3.14 0.00 -1.17 -4.38 121.76 114.78 1d5g s ALA 39 Ca -0.06 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.40 1d5g s ALA 39 Cb 0.01 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1d5g s ALA 39 CO 0.10 -0.44 0.66 0.08 0.00 0.00 0.00 175.76 176.16 1d5g s VAL 40 N -2.02 4.96 -0.01 0.00 1.01 -1.26 -0.63 120.40 122.45 1d5g s VAL 40 Ca -0.08 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.84 1d5g s VAL 40 Cb -0.01 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1d5g s VAL 40 CO 0.02 0.00 0.78 -0.63 0.00 0.00 0.00 175.10 175.27 1d5g s ILE 41 N 2.56 4.90 -1.33 2.22 -1.09 0.04 -4.95 121.20 123.55 1d5g s ILE 41 Ca 0.27 1.64 -0.12 0.00 -2.23 0.00 0.00 60.65 60.22 1d5g s ILE 41 Cb -0.15 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1d5g s ILE 41 CO 0.08 0.27 2.45 -0.81 -1.23 0.00 0.00 174.94 175.71 1d5g n PRO 42 N 3.48 2.86 -2.71 2.79 -0.04 -1.26 -4.00 135.00 136.11 1d5g n PRO 42 Ca -0.00 -2.13 -0.08 0.00 -0.04 0.00 0.00 63.50 61.25 1d5g n PRO 42 Cb 0.51 -2.89 0.11 0.00 -0.04 0.00 0.00 33.50 31.18 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 4.88 1.11 -3.98 0.54 -0.06 -1.26 -5.06 117.38 113.54 1d5g n GLN 43 Ca 0.61 -1.84 0.01 0.00 -2.00 0.00 0.00 57.00 53.78 1d5g n GLN 43 Cb 0.28 -0.42 0.02 0.00 -4.06 0.00 0.00 30.24 26.05 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1d5g s GLY 44 N -1.21 -0.05 0.42 1.69 0.00 -1.26 -4.28 107.32 102.63 1d5g s GLY 44 Ca 0.22 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.94 1d5g s GLY 44 CO -0.07 5.16 2.03 0.00 0.00 0.00 0.00 173.10 180.21 1d5g h ALA 45 N 2.00 1.69 -0.83 3.20 0.00 -0.95 0.54 119.26 124.92 1d5g h ALA 45 Ca -0.23 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 54.70 1d5g h ALA 45 Cb 1.19 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.79 1d5g h ALA 45 CO 0.33 0.25 0.47 0.00 0.00 0.00 0.00 179.25 180.30 1d5g h ALA 46 N 1.75 1.20 0.03 0.00 0.00 -1.40 -0.13 119.26 120.71 1d5g h ALA 46 Ca 0.09 0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.74 1d5g h ALA 46 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1d5g h ALA 46 CO -0.01 0.08 -1.62 -1.91 0.00 0.00 0.00 179.25 175.79 1d5g n GLU 47 N -4.76 0.62 -0.04 0.00 4.07 -1.08 -1.40 120.64 118.05 1d5g n GLU 47 Ca 0.14 0.45 -0.07 0.00 -0.06 0.00 0.00 57.16 57.62 1d5g n GLU 47 Cb 0.30 -1.70 0.11 0.00 -0.06 0.00 0.00 31.44 30.08 1d5g n GLU 47 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1d5g h SER 48 N -0.70 0.68 0.02 4.31 0.02 -0.86 -3.07 113.55 113.94 1d5g h SER 48 Ca -0.41 -0.27 -0.12 0.00 -0.84 0.00 0.00 61.79 60.15 1d5g h SER 48 Cb 1.54 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1d5g h SER 48 CO -0.16 0.94 -0.65 -0.78 -1.14 0.00 0.00 176.83 175.04 1d5g h ASP 49 N 0.57 0.05 0.00 3.07 3.58 -1.23 -3.50 116.42 118.96 1d5g h ASP 49 Ca 0.07 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.73 1d5g h ASP 49 Cb 0.79 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.83 1d5g h ASP 49 CO 0.07 1.26 0.00 0.61 -2.88 0.00 0.00 179.24 178.30 1d5g n GLY 50 N 1.56 0.16 1.89 -0.78 0.00 -1.11 -5.06 105.19 101.86 1d5g n GLY 50 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.03 0.00 -4.50 1.61 3.00 -0.49 -5.01 116.66 111.31 1d5g n ARG 51 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1d5g n ARG 51 Cb 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 32.46 32.27 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1d5g s ILE 52 N -2.00 1.50 0.46 5.15 1.01 -1.26 -5.13 121.20 120.94 1d5g s ILE 52 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 59.50 1d5g s ILE 52 Cb 0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1d5g s ILE 52 CO 0.00 0.10 0.03 -1.38 0.00 0.00 0.00 174.94 173.69 1d5g s HIS 53 N -0.88 2.20 0.30 3.97 -3.43 -1.26 -4.87 115.29 111.32 1d5g s HIS 53 Ca 0.05 -0.80 -0.30 0.00 -0.80 0.00 0.00 55.06 53.22 1d5g s HIS 53 Cb -0.09 -1.72 -0.11 0.00 -1.43 0.00 0.00 32.58 29.23 1d5g s HIS 53 CO 0.02 0.30 1.56 -1.59 -2.00 0.00 0.00 174.74 173.03 1d5g s LYS 54 N -3.82 4.14 -0.32 -0.38 -2.85 -1.26 -3.99 119.74 111.25 1d5g s LYS 54 Ca 0.22 2.54 0.00 0.00 -1.00 0.00 0.00 55.97 57.74 1d5g s LYS 54 Cb 0.05 -3.02 0.00 0.00 -2.06 0.00 0.00 37.83 32.80 1d5g s LYS 54 CO 0.12 -0.59 0.00 0.41 0.10 0.00 0.00 175.35 175.39 1d5g n GLY 55 N 1.86 0.37 3.92 0.59 0.00 -1.19 -4.98 105.19 105.76 1d5g n GLY 55 Ca 0.07 -0.81 -0.30 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 -2.89 3.41 -0.14 1.61 1.01 -1.26 -4.20 116.67 114.22 1d5g s ASP 56 Ca 0.00 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.65 1d5g s ASP 56 Cb 0.00 -0.53 0.02 0.00 1.01 0.00 0.00 42.92 43.42 1d5g s ASP 56 CO 0.00 -2.56 -0.14 -0.60 0.21 0.00 0.00 175.17 172.08 1d5g s ARG 57 N -5.82 2.27 0.23 8.23 3.52 -0.84 -3.56 118.95 122.98 1d5g s ARG 57 Ca 0.71 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1d5g s ARG 57 Cb -0.05 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 1d5g s ARG 57 CO 0.52 -0.20 0.47 0.14 -0.81 0.00 0.00 175.30 175.42 1d5g s VAL 58 N 1.39 5.10 0.00 7.11 -7.23 -1.26 -0.29 120.40 125.23 1d5g s VAL 58 Ca 0.03 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1d5g s VAL 58 Cb -0.13 -3.70 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1d5g s VAL 58 CO -0.09 -0.19 0.00 -0.11 -0.31 0.00 0.00 175.10 174.40 1d5g n LEU 59 N -0.61 0.00 -4.92 1.32 7.94 -0.18 -4.47 117.00 116.08 1d5g n LEU 59 Ca -0.03 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.57 1d5g n LEU 59 Cb 0.53 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.44 1d5g n LEU 59 CO 0.48 0.00 -0.09 0.00 -1.11 0.00 0.00 177.39 176.67 1d5g s ALA 60 N -2.00 3.95 -0.70 1.96 0.00 -1.09 -4.09 121.76 119.79 1d5g s ALA 60 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 1d5g s ALA 60 Cb 0.00 -1.89 0.18 0.00 0.00 0.00 0.00 23.12 21.41 1d5g s ALA 60 CO 0.00 0.72 0.60 0.08 0.00 0.00 0.00 175.76 177.16 1d5g s VAL 61 N -1.61 4.82 -1.18 0.00 1.01 0.43 -2.82 120.40 121.05 1d5g s VAL 61 Ca 0.36 -2.48 -0.05 0.00 0.00 0.00 0.00 61.98 59.81 1d5g s VAL 61 Cb -0.12 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1d5g s VAL 61 CO 0.28 -0.94 0.85 -3.20 0.00 0.00 0.00 175.10 172.08 1d5g n ASN 62 N 4.01 -3.66 0.00 3.32 5.15 -0.73 -3.12 115.26 120.23 1d5g n ASN 62 Ca 0.07 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 1d5g n ASN 62 Cb 0.43 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.16 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 -1.39 3.11 3.82 8.20 0.00 -1.26 -5.04 105.19 112.62 1d5g n GLY 63 Ca -0.20 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.86 5.43 0.36 1.61 1.01 -1.18 -4.95 120.40 121.81 1d5g s VAL 64 Ca 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.99 1d5g s VAL 64 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 1d5g s VAL 64 CO 0.00 0.54 1.00 -0.55 0.00 0.00 0.00 175.10 176.09 1d5g s SER 65 N -0.49 7.08 0.00 3.32 0.15 -1.26 -0.43 113.70 122.07 1d5g s SER 65 Ca 0.13 1.94 0.25 0.00 0.70 0.00 0.00 55.95 58.97 1d5g s SER 65 Cb -0.12 -2.58 0.47 0.00 -1.71 0.00 0.00 66.02 62.08 1d5g s SER 65 CO 0.03 -0.25 1.39 0.00 1.20 0.00 0.00 173.24 175.60 1d5g n LEU 66 N 0.29 0.61 -4.69 3.45 -0.00 -1.26 -4.90 117.00 110.50 1d5g n LEU 66 Ca 0.03 -0.07 -0.40 0.00 -0.00 0.00 0.00 56.01 55.57 1d5g n LEU 66 Cb 0.50 -0.21 0.03 0.00 -0.00 0.00 0.00 43.42 43.73 1d5g n LEU 66 CO 0.45 0.14 0.84 -1.84 -0.00 0.00 0.00 177.39 176.99 1d5g n GLU 67 N -1.40 1.69 0.00 1.47 0.28 -1.26 -1.80 120.64 119.63 1d5g n GLU 67 Ca 0.06 0.61 0.00 0.00 -0.16 0.00 0.00 57.16 57.67 1d5g n GLU 67 Cb 0.34 -2.38 0.00 0.00 1.43 0.00 0.00 31.44 30.83 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 0.89 2.86 3.85 -1.84 0.00 -1.05 -5.01 105.19 104.88 1d5g n GLY 68 Ca 0.09 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.56 2.94 0.67 4.61 0.00 -0.74 -4.94 121.76 123.74 1d5g s ALA 69 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 1d5g s ALA 69 Cb 0.00 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1d5g s ALA 69 CO 0.00 -0.90 0.99 0.95 0.00 0.00 0.00 175.76 176.80 1d5g s THR 70 N -3.13 2.83 0.31 0.00 -4.23 -1.26 -4.72 115.64 105.44 1d5g s THR 70 Ca 0.56 -0.09 -0.01 0.00 -1.18 0.00 0.00 61.69 60.97 1d5g s THR 70 Cb -0.12 -3.20 0.24 0.00 1.34 0.00 0.00 72.50 70.77 1d5g s THR 70 CO 0.54 -0.21 1.96 -0.74 -0.54 0.00 0.00 174.62 175.62 1d5g h HIS 71 N -0.49 0.94 -0.58 3.99 2.76 -1.49 -0.13 115.15 120.15 1d5g h HIS 71 Ca -0.45 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 57.81 1d5g h HIS 71 Cb 1.29 -0.31 -0.07 0.00 1.55 0.00 0.00 27.41 29.87 1d5g h HIS 71 CO 0.39 0.62 0.22 -0.22 -1.30 0.00 0.00 177.93 177.65 1d5g h LYS 72 N 0.99 0.40 0.01 5.26 1.63 -1.95 -1.41 116.57 121.50 1d5g h LYS 72 Ca 0.26 -0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.82 1d5g h LYS 72 Cb -0.05 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1d5g h LYS 72 CO -0.05 0.26 -0.92 0.37 -3.45 0.00 0.00 179.45 175.66 1d5g h GLN 73 N 0.41 0.30 -0.49 1.90 5.75 -1.84 -3.10 115.11 118.04 1d5g h GLN 73 Ca 0.29 -0.33 -0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1d5g h GLN 73 Cb 0.33 0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1d5g h GLN 73 CO -0.28 1.03 0.19 0.00 -2.65 0.00 0.00 178.83 177.13 1d5g h ALA 74 N 0.85 0.64 0.00 3.38 0.00 -0.86 -2.05 119.26 121.22 1d5g h ALA 74 Ca -0.06 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1d5g h ALA 74 Cb 1.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1d5g h ALA 74 CO 0.15 0.25 -0.28 -0.39 0.00 0.00 0.00 179.25 178.98 1d5g h VAL 75 N 0.66 0.61 -0.24 0.00 -1.51 -1.32 -2.33 116.25 112.12 1d5g h VAL 75 Ca 0.16 -1.38 -0.06 0.00 -1.23 0.00 0.00 66.70 64.19 1d5g h VAL 75 Cb 0.20 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.29 1d5g h VAL 75 CO -0.01 0.28 -0.09 -0.08 -1.23 0.00 0.00 177.57 176.44 1d5g h GLU 76 N 0.00 0.48 -0.32 5.19 4.81 -1.45 -2.08 114.58 121.22 1d5g h GLU 76 Ca -0.00 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1d5g h GLU 76 Cb 0.91 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1d5g h GLU 76 CO 0.04 0.73 0.21 1.15 -0.73 0.00 0.00 179.01 180.41 1d5g h THR 77 N 0.21 1.08 0.02 0.32 2.02 -1.16 -3.03 112.91 112.37 1d5g h THR 77 Ca 0.06 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1d5g h THR 77 Cb 0.57 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1d5g h THR 77 CO 0.03 0.08 -0.01 0.25 0.37 0.00 0.00 175.52 176.24 1d5g h LEU 78 N 0.43 -0.02 0.00 2.58 7.12 -1.43 -3.38 115.31 120.60 1d5g h LEU 78 Ca 0.12 -0.51 0.00 0.00 0.13 0.00 0.00 57.88 57.62 1d5g h LEU 78 Cb -0.04 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 1d5g h LEU 78 CO -0.03 0.72 0.00 0.54 -0.13 0.00 0.00 178.44 179.55 1d5g n ARG 79 N -4.71 0.19 -0.13 1.25 1.74 -0.78 -1.74 116.66 112.47 1d5g n ARG 79 Ca -0.06 0.16 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1d5g n ARG 79 Cb 0.25 -1.50 0.09 0.00 -1.02 0.00 0.00 32.46 30.29 1d5g n ARG 79 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1d5g n ASN 80 N -1.27 1.34 0.00 0.55 0.23 -1.16 -4.54 115.26 110.41 1d5g n ASN 80 Ca 0.06 -2.05 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1d5g n ASN 80 Cb 0.10 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1d5g n THR 81 N 0.12 0.00 0.00 5.53 -2.24 -0.71 -5.04 114.28 111.93 1d5g n THR 81 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1d5g n THR 81 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 4.45 2.98 0.05 3.38 0.00 -1.26 -4.94 105.19 109.85 1d5g n GLY 82 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.12 -6.11 1.61 4.15 -1.97 -3.40 115.11 109.27 1d5g h GLN 83 Ca 0.00 0.01 -0.68 0.00 0.77 0.00 0.00 58.65 58.75 1d5g h GLN 83 Cb 0.00 0.03 -0.18 0.00 0.21 0.00 0.00 27.48 27.54 1d5g h GLN 83 CO 0.00 -0.08 -0.67 0.54 -1.93 0.00 0.00 178.83 176.69 1d5g s VAL 84 N -2.20 3.88 -0.24 2.39 0.11 -1.26 -0.43 120.40 122.65 1d5g s VAL 84 Ca -0.02 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.62 1d5g s VAL 84 Cb 0.00 -2.61 0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1d5g s VAL 84 CO 0.05 0.58 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.59 1d5g s VAL 85 N -0.85 2.17 -0.24 2.04 1.01 0.67 -4.98 120.40 120.23 1d5g s VAL 85 Ca 0.13 -1.48 -0.01 0.00 0.00 0.00 0.00 61.98 60.62 1d5g s VAL 85 Cb -0.11 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1d5g s VAL 85 CO 0.02 0.09 -0.09 -2.28 0.00 0.00 0.00 175.10 172.84 1d5g s HIS 86 N 1.14 3.05 0.05 5.22 2.46 -1.26 -1.34 115.29 124.61 1d5g s HIS 86 Ca -0.06 -1.66 0.06 0.00 0.47 0.00 0.00 55.06 53.87 1d5g s HIS 86 Cb -0.19 -2.02 -0.02 0.00 -0.13 0.00 0.00 32.58 30.22 1d5g s HIS 86 CO -0.07 -0.76 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.11 1d5g s LEU 87 N 1.29 2.19 -0.15 8.88 2.96 -1.13 -1.77 118.68 130.95 1d5g s LEU 87 Ca -0.00 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1d5g s LEU 87 Cb -0.16 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.83 1d5g s LEU 87 CO -0.06 0.05 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.60 1d5g s LEU 88 N -1.28 2.05 0.05 -0.68 1.98 -1.13 -1.87 118.68 117.81 1d5g s LEU 88 Ca 0.03 -0.60 -0.04 0.00 -2.89 0.00 0.00 54.13 50.64 1d5g s LEU 88 Cb -0.08 -1.41 -0.02 0.00 0.66 0.00 0.00 46.19 45.33 1d5g s LEU 88 CO 0.02 0.04 0.05 -1.48 -1.89 0.00 0.00 176.35 173.08 1d5g s LEU 89 N 1.03 2.08 -0.07 -0.68 2.34 -0.51 -1.01 118.68 121.86 1d5g s LEU 89 Ca -0.02 -0.76 -0.03 0.00 0.06 0.00 0.00 54.13 53.38 1d5g s LEU 89 Cb -0.14 0.46 -0.04 0.00 -0.56 0.00 0.00 46.19 45.91 1d5g s LEU 89 CO -0.06 -0.57 0.05 -0.70 -1.06 0.00 0.00 176.35 174.01 1d5g s GLU 90 N -3.32 3.11 0.26 1.48 2.12 0.61 -0.89 118.70 122.06 1d5g s GLU 90 Ca 0.01 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.68 1d5g s GLU 90 Cb 0.03 -2.90 -0.10 0.00 0.26 0.00 0.00 34.13 31.42 1d5g s GLU 90 CO -0.08 0.71 1.44 0.15 -0.54 0.00 0.00 175.26 176.93 1d5g s LYS 91 N -1.13 4.27 0.75 4.30 1.02 -0.53 -1.98 119.74 126.44 1d5g s LYS 91 Ca 0.16 2.31 -0.11 0.00 0.02 0.00 0.00 55.97 58.35 1d5g s LYS 91 Cb -0.12 -3.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1d5g s LYS 91 CO 0.06 -0.41 1.09 0.20 -0.92 0.00 0.00 175.35 175.36 1d5g s GLY 92 N 0.30 1.63 0.78 -3.33 0.00 -1.26 -4.70 107.32 100.75 1d5g s GLY 92 Ca 0.59 -0.21 -0.09 0.00 0.00 0.00 0.00 44.72 45.01 1d5g s GLY 92 CO 0.44 0.18 1.12 1.20 0.00 0.00 0.00 173.10 176.05 1d5g s GLN 93 N -5.20 1.80 0.07 2.90 -0.21 -1.26 -4.96 119.66 112.81 1d5g s GLN 93 Ca 0.59 -0.24 -0.16 0.00 0.02 0.00 0.00 55.36 55.57 1d5g s GLN 93 Cb -0.13 -2.06 -0.13 0.00 1.00 0.00 0.00 33.01 31.69 1d5g s GLN 93 CO 0.54 -1.58 1.33 1.03 -2.12 0.00 0.00 175.29 174.49 1d5g h SER 94 N -0.92 0.68 0.00 5.90 0.87 -1.97 -3.35 113.55 114.76 1d5g h SER 94 Ca -0.44 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 59.49 1d5g h SER 94 Cb 1.30 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 1d5g h SER 94 CO 0.56 1.10 -0.11 -2.65 -0.53 0.00 0.00 176.83 175.21 1d5g n PRO 95 N -4.26 1.21 0.00 2.24 -0.02 -1.26 -5.21 135.00 127.70 1d5g n PRO 95 Ca -0.06 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 1d5g n PRO 95 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1d5g n PRO 95 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11