#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 0.47 0.42 -0.52 -2.85 -1.26 -4.96 119.74 111.04 1d5g s LYS 2 Ca 0.00 -0.28 0.11 0.00 -1.00 0.00 0.00 55.97 54.80 1d5g s LYS 2 Cb 0.00 -1.81 0.90 0.00 -2.06 0.00 0.00 37.83 34.86 1d5g s LYS 2 CO 0.00 -2.55 1.98 -1.35 0.10 0.00 0.00 175.35 173.53 1d5g h PRO 3 N -1.74 0.19 -3.67 1.78 0.11 -1.99 -3.29 132.00 123.39 1d5g h PRO 3 Ca -0.45 -0.03 -0.77 0.00 0.11 0.00 0.00 66.00 64.85 1d5g h PRO 3 Cb 1.26 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 32.05 1d5g h PRO 3 CO 0.41 0.28 0.14 0.20 -0.21 0.00 0.00 178.00 178.82 1d5g s GLY 4 N -4.04 2.87 0.76 -0.55 0.00 -1.26 -5.04 107.32 100.06 1d5g s GLY 4 Ca -0.05 -3.54 -0.11 0.00 0.00 0.00 0.00 44.72 41.02 1d5g s GLY 4 CO 0.72 1.26 1.12 0.51 0.00 0.00 0.00 173.10 176.70 1d5g s ASP 5 N 1.50 4.80 0.01 1.64 -4.77 -1.24 -4.37 116.67 114.25 1d5g s ASP 5 Ca 0.23 0.79 -0.22 0.00 -3.30 0.00 0.00 52.55 50.05 1d5g s ASP 5 Cb -0.11 -1.40 -0.05 0.00 -1.09 0.00 0.00 42.92 40.27 1d5g s ASP 5 CO -0.08 -1.69 0.64 -0.63 0.70 0.00 0.00 175.17 174.10 1d5g s ILE 6 N -3.44 4.85 0.22 2.11 1.09 -1.26 -1.03 121.20 123.74 1d5g s ILE 6 Ca 0.60 1.34 -0.08 0.00 -1.10 0.00 0.00 60.65 61.42 1d5g s ILE 6 Cb -0.11 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.29 1d5g s ILE 6 CO 0.49 0.41 0.33 0.72 -0.10 0.00 0.00 174.94 176.79 1d5g s PHE 7 N -0.19 0.67 -0.09 3.97 -0.71 0.10 -4.99 117.98 116.74 1d5g s PHE 7 Ca 0.33 -0.98 0.01 0.00 -1.04 0.00 0.00 56.93 55.26 1d5g s PHE 7 Cb -0.19 -0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 1d5g s PHE 7 CO 0.19 -0.84 -0.12 -1.83 -1.34 0.00 0.00 175.22 171.28 1d5g s GLU 8 N -4.07 1.78 0.04 1.99 -1.05 -1.26 -1.79 118.70 114.34 1d5g s GLU 8 Ca 0.28 -0.40 0.01 0.00 -0.15 0.00 0.00 54.97 54.71 1d5g s GLU 8 Cb 0.03 -1.58 -0.04 0.00 -0.44 0.00 0.00 34.13 32.10 1d5g s GLU 8 CO 0.09 -0.08 0.08 0.14 0.95 0.00 0.00 175.26 176.45 1d5g s VAL 9 N 1.05 4.65 -0.27 1.83 -7.23 -0.84 -5.03 120.40 114.57 1d5g s VAL 9 Ca -0.07 -0.59 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 1d5g s VAL 9 Cb -0.15 -3.19 0.08 0.00 0.56 0.00 0.00 36.38 33.69 1d5g s VAL 9 CO -0.01 0.23 0.05 -0.70 -0.31 0.00 0.00 175.10 174.36 1d5g s GLU 10 N -2.10 0.89 0.44 4.82 2.12 -1.26 -2.52 118.70 121.10 1d5g s GLU 10 Ca 0.27 -0.95 0.04 0.00 0.36 0.00 0.00 54.97 54.68 1d5g s GLU 10 Cb -0.12 -2.19 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1d5g s GLU 10 CO 0.19 -0.84 0.04 -1.17 -0.54 0.00 0.00 175.26 172.94 1d5g s LEU 11 N 1.60 2.36 0.12 2.70 2.96 -0.32 -5.00 118.68 123.10 1d5g s LEU 11 Ca 0.05 -1.54 -0.04 0.00 -0.22 0.00 0.00 54.13 52.37 1d5g s LEU 11 Cb -0.18 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.90 1d5g s LEU 11 CO -0.17 -0.73 0.13 0.00 -1.32 0.00 0.00 176.35 174.26 1d5g s ALA 12 N -2.97 0.39 0.02 5.97 0.00 -1.26 -0.84 121.76 123.07 1d5g s ALA 12 Ca 0.21 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 1d5g s ALA 12 Cb 0.05 0.70 -0.08 0.00 0.00 0.00 0.00 23.12 23.79 1d5g s ALA 12 CO 0.11 -0.51 1.85 0.21 0.00 0.00 0.00 175.76 177.42 1d5g s LYS 13 N -3.97 4.16 0.00 0.00 2.20 -0.10 -4.89 119.74 117.13 1d5g s LYS 13 Ca 0.16 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 1d5g s LYS 13 Cb 0.06 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1d5g s LYS 13 CO -0.03 -0.91 0.00 0.27 -0.36 0.00 0.00 175.35 174.33 1d5g n ASN 14 N 7.20 0.00 -0.02 1.43 0.23 -1.26 -4.93 115.26 117.91 1d5g n ASN 14 Ca 0.19 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 54.11 1d5g n ASN 14 Cb 0.41 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.03 -0.40 0.53 1.82 -1.94 -3.48 116.42 112.98 1d5g h ASP 15 Ca 0.00 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.08 1d5g h ASP 15 Cb 0.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1d5g h ASP 15 CO 0.00 0.58 0.00 -3.20 -1.61 0.00 0.00 179.24 175.01 1d5g n ASN 16 N -4.80 0.00 -0.05 2.28 2.85 -1.26 -4.93 115.26 109.35 1d5g n ASN 16 Ca -0.09 -0.28 -0.02 0.00 -0.11 0.00 0.00 54.58 54.08 1d5g n ASN 16 Cb 0.29 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.31 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1d5g h SER 17 N 0.00 0.00 0.00 1.20 0.87 -1.92 -3.42 113.55 110.27 1d5g h SER 17 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1d5g h SER 17 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1d5g h SER 17 CO 0.00 0.52 0.00 0.18 -0.53 0.00 0.00 176.83 177.00 1d5g n LEU 18 N -4.31 0.00 -0.01 2.23 4.32 -1.26 -4.69 117.00 113.28 1d5g n LEU 18 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1d5g n LEU 18 Cb 0.10 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1d5g n LEU 18 CO 0.04 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.82 1d5g n GLY 19 N 3.69 0.57 3.36 -0.72 0.00 -1.26 -1.52 105.19 109.31 1d5g n GLY 19 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.19 0.07 0.09 -0.61 2.07 -1.26 -3.24 121.20 117.13 1d5g s ILE 20 Ca 0.00 -1.10 0.09 0.00 -1.41 0.00 0.00 60.65 58.23 1d5g s ILE 20 Cb 0.00 -1.61 -0.03 0.00 0.13 0.00 0.00 42.46 40.95 1d5g s ILE 20 CO 0.00 -0.31 -0.25 -0.55 -1.91 0.00 0.00 174.94 171.92 1d5g s SER 21 N -2.91 2.98 0.17 4.50 0.15 -0.59 -4.92 113.70 113.08 1d5g s SER 21 Ca 0.11 -0.67 0.08 0.00 0.70 0.00 0.00 55.95 56.18 1d5g s SER 21 Cb 0.02 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1d5g s SER 21 CO -0.04 0.17 -0.16 -0.69 1.20 0.00 0.00 173.24 173.71 1d5g s VAL 22 N -0.99 1.74 0.03 4.45 1.01 -1.26 -0.84 120.40 124.55 1d5g s VAL 22 Ca 0.11 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.10 1d5g s VAL 22 Cb -0.10 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1d5g s VAL 22 CO 0.04 -0.42 -0.05 0.28 0.00 0.00 0.00 175.10 174.95 1d5g s THR 23 N -2.37 0.26 0.00 3.92 -1.32 -0.93 -4.72 115.64 110.49 1d5g s THR 23 Ca 0.17 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1d5g s THR 23 Cb -0.04 -0.51 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 1d5g s THR 23 CO 0.06 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.56 1d5g n GLY 24 N 1.38 0.50 1.41 6.08 0.00 -1.26 -3.73 105.19 109.56 1d5g n GLY 24 Ca -0.22 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.25 -4.85 105.19 99.93 1d5g n GLY 25 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.57 0.00 -0.10 1.61 0.31 -1.26 -2.36 118.33 113.96 1d5g n VAL 26 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1d5g n VAL 26 Cb 0.42 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.26 1d5g n VAL 26 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1d5g n ASN 27 N 0.00 1.85 -3.88 4.52 3.02 -1.26 -3.83 115.26 115.67 1d5g n ASN 27 Ca 0.00 0.47 -0.16 0.00 -0.03 0.00 0.00 54.58 54.87 1d5g n ASN 27 Cb 0.00 -0.94 -0.15 0.00 -0.61 0.00 0.00 39.78 38.08 1d5g n ASN 27 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1d5g s THR 28 N -2.34 0.25 0.00 3.41 -1.32 -1.26 -3.69 115.64 110.68 1d5g s THR 28 Ca -0.26 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 1d5g s THR 28 Cb 0.05 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.78 1d5g s THR 28 CO 0.50 0.11 0.00 -0.24 -2.21 0.00 0.00 174.62 172.78 1d5g n SER 29 N 3.50 0.00 -0.06 8.08 2.88 -1.26 -4.81 113.62 121.95 1d5g n SER 29 Ca -0.19 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.31 1d5g n SER 29 Cb 0.55 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 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 0.22 0.00 2.46 2.07 -1.62 -3.48 116.25 115.90 1d5g h VAL 30 Ca 0.00 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1d5g h VAL 30 Cb 0.00 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1d5g h VAL 30 CO 0.00 0.08 0.00 -2.11 0.02 0.00 0.00 177.57 175.56 1d5g n ARG 31 N -4.70 2.51 -1.32 1.57 1.85 -1.26 -4.96 116.66 110.36 1d5g n ARG 31 Ca -0.05 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.42 1d5g n ARG 31 Cb 0.16 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.55 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 2.49 0.00 2.89 -0.00 -1.26 -4.61 115.22 114.73 1d5g n HIS 32 Ca 0.00 -2.53 0.00 0.00 -0.00 0.00 0.00 57.72 55.19 1d5g n HIS 32 Cb 0.00 -2.17 0.00 0.00 -0.00 0.00 0.00 29.99 27.82 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 4.03 0.25 0.00 -1.39 0.00 -1.24 -0.78 105.19 106.07 1d5g n GLY 33 Ca 0.56 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 0.05 3.28 -0.02 0.00 -1.26 -2.08 105.19 105.16 1d5g n GLY 34 Ca 0.00 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.17 1.80 -0.00 -0.61 -1.09 -1.26 -3.89 121.20 113.98 1d5g s ILE 35 Ca 0.00 -1.31 0.06 0.00 -2.23 0.00 0.00 60.65 57.17 1d5g s ILE 35 Cb 0.00 -1.57 -0.02 0.00 -1.58 0.00 0.00 42.46 39.29 1d5g s ILE 35 CO 0.00 0.20 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.41 1d5g s TYR 36 N -0.86 1.67 0.09 3.97 1.51 -1.24 -3.95 117.35 118.53 1d5g s TYR 36 Ca 0.09 -0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 55.56 1d5g s TYR 36 Cb -0.09 -1.05 -0.06 0.00 -0.11 0.00 0.00 41.96 40.64 1d5g s TYR 36 CO 0.02 -0.00 0.80 0.08 -1.11 0.00 0.00 175.55 175.34 1d5g s VAL 37 N -0.53 4.58 -0.06 0.71 1.01 -1.21 -2.19 120.40 122.71 1d5g s VAL 37 Ca 0.07 1.72 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 1d5g s VAL 37 Cb -0.07 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1d5g s VAL 37 CO -0.00 0.41 -0.10 1.17 0.00 0.00 0.00 175.10 176.58 1d5g n LYS 38 N 2.41 0.17 -3.58 2.72 4.81 -0.02 -1.97 118.16 122.70 1d5g n LYS 38 Ca -0.03 0.15 -0.11 0.00 -0.87 0.00 0.00 58.31 57.45 1d5g n LYS 38 Cb 0.50 -0.89 -0.04 0.00 0.02 0.00 0.00 35.03 34.62 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 -2.95 -1.12 -0.13 3.14 0.00 -1.16 -4.61 121.76 114.93 1d5g s ALA 39 Ca -0.08 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 1d5g s ALA 39 Cb 0.01 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1d5g s ALA 39 CO 0.12 -0.65 0.33 0.08 0.00 0.00 0.00 175.76 175.64 1d5g s VAL 40 N -3.61 5.26 -0.19 0.00 1.01 -1.26 -1.55 120.40 120.06 1d5g s VAL 40 Ca 0.01 0.63 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 1d5g s VAL 40 Cb 0.01 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1d5g s VAL 40 CO -0.11 0.41 0.86 -0.63 0.00 0.00 0.00 175.10 175.64 1d5g s ILE 41 N 0.22 4.84 -0.10 2.22 -1.09 -1.20 -4.96 121.20 121.13 1d5g s ILE 41 Ca 0.19 1.68 -0.01 0.00 -2.23 0.00 0.00 60.65 60.28 1d5g s ILE 41 Cb -0.14 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.62 1d5g s ILE 41 CO 0.06 -0.03 2.14 -0.81 -1.23 0.00 0.00 174.94 175.08 1d5g n PRO 42 N 5.57 1.33 -2.75 2.79 -0.04 -1.26 -3.96 135.00 136.68 1d5g n PRO 42 Ca 0.06 -0.57 -0.05 0.00 -0.04 0.00 0.00 63.50 62.91 1d5g n PRO 42 Cb 0.48 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.24 0.57 -3.65 0.54 -0.06 -1.26 -5.01 117.38 109.75 1d5g n GLN 43 Ca 0.13 -1.93 0.01 0.00 -2.00 0.00 0.00 57.00 53.20 1d5g n GLN 43 Cb 0.55 -1.42 -0.00 0.00 -4.06 0.00 0.00 30.24 25.31 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 0.37 -0.37 0.39 1.69 0.00 -1.25 -4.89 107.32 103.25 1d5g s GLY 44 Ca 0.30 0.58 0.06 0.00 0.00 0.00 0.00 44.72 45.66 1d5g s GLY 44 CO -0.09 0.29 2.02 0.00 0.00 0.00 0.00 173.10 175.32 1d5g h ALA 45 N 2.00 1.62 -0.80 3.20 0.00 -1.53 -0.05 119.26 123.70 1d5g h ALA 45 Ca -0.29 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.66 1d5g h ALA 45 Cb 1.21 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1d5g h ALA 45 CO 0.28 0.33 0.42 0.00 0.00 0.00 0.00 179.25 180.28 1d5g h ALA 46 N 1.68 1.15 0.08 0.00 0.00 -1.68 -1.58 119.26 118.91 1d5g h ALA 46 Ca 0.15 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.77 1d5g h ALA 46 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1d5g h ALA 46 CO -0.03 -0.01 -2.04 -1.91 0.00 0.00 0.00 179.25 175.26 1d5g n GLU 47 N -4.83 0.72 -0.01 0.00 4.07 -0.98 -1.27 120.64 118.34 1d5g n GLU 47 Ca 0.14 0.24 -0.05 0.00 -0.06 0.00 0.00 57.16 57.43 1d5g n GLU 47 Cb 0.33 -1.69 0.15 0.00 -0.06 0.00 0.00 31.44 30.18 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 0.05 0.58 0.09 4.31 0.02 -0.98 -3.18 113.55 114.44 1d5g h SER 48 Ca -0.43 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1d5g h SER 48 Cb 2.02 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.40 1d5g h SER 48 CO 0.06 0.84 -0.04 -0.78 -1.14 0.00 0.00 176.83 175.76 1d5g h ASP 49 N 0.49 -0.11 0.00 3.07 3.58 -1.50 -3.50 116.42 118.46 1d5g h ASP 49 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1d5g h ASP 49 Cb 0.75 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1d5g h ASP 49 CO 0.06 0.37 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 1d5g n GLY 50 N 1.46 0.72 0.44 -0.78 0.00 -1.10 -5.09 105.19 100.83 1d5g n GLY 50 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 -4.02 1.61 3.00 -0.39 -5.03 116.66 111.82 1d5g n ARG 51 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1d5g n ARG 51 Cb 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 32.46 31.83 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 -1.36 1.21 0.52 5.15 1.01 -1.20 -5.08 121.20 121.44 1d5g s ILE 52 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1d5g s ILE 52 Cb 0.00 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1d5g s ILE 52 CO 0.00 0.40 0.09 0.00 0.00 0.00 0.00 174.94 175.42 1d5g n HIS 53 N 4.76 0.81 -1.76 3.97 1.44 -1.26 -4.69 115.22 118.49 1d5g n HIS 53 Ca -0.15 -2.47 -0.40 0.00 -2.01 0.00 0.00 57.72 52.69 1d5g n HIS 53 Cb 0.50 -0.36 0.01 0.00 0.12 0.00 0.00 29.99 30.27 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 -1.38 2.32 -0.96 -1.40 2.85 -1.26 -4.03 118.16 114.29 1d5g n LYS 54 Ca -0.17 0.82 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 1d5g n LYS 54 Cb 0.64 -2.62 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1d5g n GLY 55 N 0.57 0.55 3.85 2.58 0.00 -0.83 -4.87 105.19 107.03 1d5g n GLY 55 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.29 3.97 -0.41 1.61 1.11 -1.26 -3.84 116.67 115.56 1d5g s ASP 56 Ca 0.00 0.83 0.01 0.00 0.18 0.00 0.00 52.55 53.57 1d5g s ASP 56 Cb 0.00 -1.33 0.13 0.00 1.07 0.00 0.00 42.92 42.79 1d5g s ASP 56 CO 0.00 -2.25 0.22 -0.60 1.18 0.00 0.00 175.17 173.72 1d5g s ARG 57 N -5.47 1.08 0.63 8.23 3.52 -0.40 -3.36 118.95 123.18 1d5g s ARG 57 Ca 0.63 -1.77 -0.11 0.00 -0.13 0.00 0.00 55.73 54.35 1d5g s ARG 57 Cb -0.12 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.13 1d5g s ARG 57 CO 0.51 -1.15 1.04 0.14 -0.81 0.00 0.00 175.30 175.03 1d5g s VAL 58 N 0.64 4.54 0.00 7.11 -7.23 -1.25 -0.44 120.40 123.76 1d5g s VAL 58 Ca 0.17 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.15 1d5g s VAL 58 Cb -0.23 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 32.89 1d5g s VAL 58 CO -0.02 -1.07 0.00 -0.11 -0.31 0.00 0.00 175.10 173.58 1d5g n LEU 59 N -2.78 0.00 -4.85 1.32 7.94 -0.16 -4.49 117.00 113.98 1d5g n LEU 59 Ca 0.06 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.62 1d5g n LEU 59 Cb 0.54 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.44 1d5g n LEU 59 CO 0.58 0.00 0.27 0.00 -1.11 0.00 0.00 177.39 177.13 1d5g s ALA 60 N -1.91 3.52 -0.63 1.96 0.00 -1.07 -4.08 121.76 119.55 1d5g s ALA 60 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.83 1d5g s ALA 60 Cb 0.00 -2.57 0.16 0.00 0.00 0.00 0.00 23.12 20.72 1d5g s ALA 60 CO 0.00 0.44 0.43 0.08 0.00 0.00 0.00 175.76 176.71 1d5g s VAL 61 N -1.63 3.56 -1.10 0.00 1.01 0.43 -2.00 120.40 120.67 1d5g s VAL 61 Ca 0.43 -3.11 -0.08 0.00 0.00 0.00 0.00 61.98 59.21 1d5g s VAL 61 Cb -0.14 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1d5g s VAL 61 CO 0.20 -0.88 0.89 -3.20 0.00 0.00 0.00 175.10 172.10 1d5g n ASN 62 N 3.31 -5.63 0.00 3.32 5.15 -0.40 -2.92 115.26 118.09 1d5g n ASN 62 Ca 0.09 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.29 1d5g n ASN 62 Cb 0.37 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.86 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 -1.33 1.82 3.66 8.20 0.00 -1.26 -4.98 105.19 111.30 1d5g n GLY 63 Ca -0.11 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 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 4.88 0.28 1.61 1.01 -1.15 -4.95 120.40 121.76 1d5g s VAL 64 Ca 0.00 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1d5g s VAL 64 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1d5g s VAL 64 CO 0.00 -0.00 1.01 -0.55 0.00 0.00 0.00 175.10 175.56 1d5g s SER 65 N 1.23 7.38 0.00 3.32 0.15 -1.26 -0.43 113.70 124.09 1d5g s SER 65 Ca 0.36 2.06 0.28 0.00 0.70 0.00 0.00 55.95 59.36 1d5g s SER 65 Cb -0.16 -2.61 1.04 0.00 -1.71 0.00 0.00 66.02 62.58 1d5g s SER 65 CO 0.10 -0.05 1.74 0.00 1.20 0.00 0.00 173.24 176.24 1d5g n LEU 66 N 1.10 1.00 -4.77 3.45 -0.00 -1.26 -4.94 117.00 111.60 1d5g n LEU 66 Ca -0.00 -0.27 -0.40 0.00 -0.00 0.00 0.00 56.01 55.34 1d5g n LEU 66 Cb 0.47 -0.08 0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1d5g n LEU 66 CO 0.50 0.18 1.03 -1.83 -0.00 0.00 0.00 177.39 177.27 1d5g s GLU 67 N -2.28 3.75 0.00 1.47 -1.05 -1.26 -2.26 118.70 117.07 1d5g s GLU 67 Ca 0.32 2.33 0.00 0.00 -0.15 0.00 0.00 54.97 57.47 1d5g s GLU 67 Cb 0.20 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1d5g s GLU 67 CO 0.43 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 176.32 1d5g n GLY 68 N 0.60 3.01 3.83 -3.83 0.00 0.04 -5.06 105.19 103.78 1d5g n GLY 68 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.99 2.95 0.76 4.61 0.00 -0.96 -4.88 121.76 121.25 1d5g s ALA 69 Ca 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.16 1d5g s ALA 69 Cb 0.00 -3.17 0.08 0.00 0.00 0.00 0.00 23.12 20.03 1d5g s ALA 69 CO 0.00 -0.39 1.10 0.95 0.00 0.00 0.00 175.76 177.42 1d5g s THR 70 N -2.49 2.14 0.19 0.00 -4.23 -1.26 -4.52 115.64 105.48 1d5g s THR 70 Ca 0.61 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.85 1d5g s THR 70 Cb -0.12 -2.99 0.10 0.00 1.34 0.00 0.00 72.50 70.83 1d5g s THR 70 CO 0.31 0.00 1.75 -0.74 -0.54 0.00 0.00 174.62 175.40 1d5g h HIS 71 N -0.85 0.36 -0.93 3.99 2.76 -1.57 0.80 115.15 119.71 1d5g h HIS 71 Ca -0.45 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.75 1d5g h HIS 71 Cb 1.32 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 1d5g h HIS 71 CO 0.23 0.12 0.61 -0.22 -1.30 0.00 0.00 177.93 177.37 1d5g h LYS 72 N 0.39 1.23 -0.21 5.26 1.63 -1.95 -0.78 116.57 122.15 1d5g h LYS 72 Ca 0.25 -0.08 -0.20 0.00 -0.85 0.00 0.00 60.65 59.77 1d5g h LYS 72 Cb 0.26 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1d5g h LYS 72 CO -0.24 0.82 -0.65 0.37 -3.45 0.00 0.00 179.45 176.30 1d5g h GLN 73 N 1.27 0.77 -0.50 1.90 5.75 -1.83 -2.74 115.11 119.73 1d5g h GLN 73 Ca 0.34 -0.54 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 1d5g h GLN 73 Cb -0.13 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 1d5g h GLN 73 CO -0.07 1.17 0.27 0.00 -2.65 0.00 0.00 178.83 177.55 1d5g h ALA 74 N 0.70 0.64 -0.32 3.38 0.00 -0.57 -1.85 119.26 121.25 1d5g h ALA 74 Ca -0.01 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1d5g h ALA 74 Cb 1.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1d5g h ALA 74 CO 0.13 0.17 -0.36 -0.39 0.00 0.00 0.00 179.25 178.80 1d5g h VAL 75 N 0.67 1.29 -0.94 0.00 -1.51 -1.19 -2.95 116.25 111.62 1d5g h VAL 75 Ca 0.18 -1.52 0.01 0.00 -1.23 0.00 0.00 66.70 64.14 1d5g h VAL 75 Cb 0.05 1.43 -0.05 0.00 -2.13 0.00 0.00 31.29 30.60 1d5g h VAL 75 CO -0.03 0.50 0.62 -0.08 -1.23 0.00 0.00 177.57 177.35 1d5g h GLU 76 N 0.60 1.23 -0.89 5.19 4.57 -1.40 -0.90 114.58 122.98 1d5g h GLU 76 Ca 0.06 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.21 1d5g h GLU 76 Cb 0.90 -0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 1d5g h GLU 76 CO 0.08 0.81 0.58 1.15 -1.18 0.00 0.00 179.01 180.45 1d5g h THR 77 N 1.26 1.12 0.07 0.32 2.02 -1.20 -1.75 112.91 114.76 1d5g h THR 77 Ca 0.35 -0.37 -0.26 0.00 0.77 0.00 0.00 66.41 66.90 1d5g h THR 77 Cb -0.12 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.23 1d5g h THR 77 CO -0.08 0.20 -1.27 -0.07 0.37 0.00 0.00 175.52 174.67 1d5g h LEU 78 N 1.07 0.24 -0.11 2.58 -0.00 -1.31 -3.38 115.31 114.40 1d5g h LEU 78 Ca 0.36 -0.28 -0.05 0.00 -0.00 0.00 0.00 57.88 57.91 1d5g h LEU 78 Cb 0.08 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1d5g h LEU 78 CO -0.12 1.23 -0.12 0.03 -0.00 0.00 0.00 178.44 179.46 1d5g h ARG 79 N 0.04 0.27 -1.62 1.13 3.08 -0.74 -3.33 114.38 113.22 1d5g h ARG 79 Ca -0.13 -0.15 -0.37 0.00 0.07 0.00 0.00 59.98 59.40 1d5g h ARG 79 Cb 1.92 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.82 1d5g h ARG 79 CO 0.16 0.69 0.41 0.27 -1.07 0.00 0.00 179.97 180.44 1d5g n ASN 80 N -4.62 6.50 0.00 7.04 2.04 -0.70 -4.21 115.26 121.31 1d5g n ASN 80 Ca -0.07 -3.11 0.00 0.00 -0.44 0.00 0.00 54.58 50.96 1d5g n ASN 80 Cb 0.34 -1.10 0.00 0.00 -2.53 0.00 0.00 39.78 36.49 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1d5g n THR 81 N 0.46 0.00 0.00 5.53 -2.24 -1.25 -5.04 114.28 111.74 1d5g n THR 81 Ca 0.36 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.54 1d5g n THR 81 Cb 0.58 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 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 1.83 1.46 0.09 3.38 0.00 -1.26 -4.89 105.19 105.80 1d5g n GLY 82 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 0.13 -6.58 1.61 4.15 -1.98 -3.42 115.11 109.02 1d5g h GLN 83 Ca 0.00 -0.21 -0.68 0.00 0.77 0.00 0.00 58.65 58.53 1d5g h GLN 83 Cb 0.00 0.08 -0.20 0.00 0.21 0.00 0.00 27.48 27.57 1d5g h GLN 83 CO 0.00 1.09 -0.79 0.54 -1.93 0.00 0.00 178.83 177.74 1d5g s VAL 84 N -2.37 2.95 -0.26 2.39 0.11 -1.26 -0.92 120.40 121.03 1d5g s VAL 84 Ca -0.17 -1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 57.65 1d5g s VAL 84 Cb -0.01 -2.29 0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1d5g s VAL 84 CO 0.75 0.26 -0.06 -0.69 -3.33 0.00 0.00 175.10 172.03 1d5g s VAL 85 N -1.01 2.72 -0.22 2.04 1.01 -0.02 -4.95 120.40 119.97 1d5g s VAL 85 Ca 0.16 -1.26 -0.02 0.00 0.00 0.00 0.00 61.98 60.86 1d5g s VAL 85 Cb -0.11 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.81 1d5g s VAL 85 CO 0.08 0.08 -0.09 -1.00 0.00 0.00 0.00 175.10 174.16 1d5g s HIS 86 N 1.25 2.94 -0.05 5.22 3.76 -1.26 -1.17 115.29 125.98 1d5g s HIS 86 Ca -0.03 -1.27 -0.08 0.00 -0.15 0.00 0.00 55.06 53.53 1d5g s HIS 86 Cb -0.18 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1d5g s HIS 86 CO -0.04 -0.66 0.19 -1.17 -0.85 0.00 0.00 174.74 172.21 1d5g s LEU 87 N 1.39 1.29 -0.12 0.89 0.20 -1.05 -1.28 118.68 120.01 1d5g s LEU 87 Ca 0.04 0.20 0.03 0.00 0.69 0.00 0.00 54.13 55.09 1d5g s LEU 87 Cb -0.14 0.74 0.01 0.00 -0.43 0.00 0.00 46.19 46.36 1d5g s LEU 87 CO -0.06 -0.19 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.38 1d5g s LEU 88 N -0.45 2.03 0.14 -0.68 1.98 -0.85 -1.98 118.68 118.87 1d5g s LEU 88 Ca -0.05 -0.56 -0.04 0.00 -2.89 0.00 0.00 54.13 50.58 1d5g s LEU 88 Cb -0.04 -1.36 -0.03 0.00 0.66 0.00 0.00 46.19 45.42 1d5g s LEU 88 CO 0.01 0.09 0.14 -1.48 -1.89 0.00 0.00 176.35 173.22 1d5g s LEU 89 N 0.72 1.50 -0.01 -0.68 2.34 -0.74 -0.99 118.68 120.82 1d5g s LEU 89 Ca -0.10 -1.04 0.07 0.00 0.06 0.00 0.00 54.13 53.12 1d5g s LEU 89 Cb -0.16 0.67 -0.02 0.00 -0.56 0.00 0.00 46.19 46.11 1d5g s LEU 89 CO 0.01 -0.78 -0.21 -0.70 -1.06 0.00 0.00 176.35 173.60 1d5g s GLU 90 N -4.00 2.17 0.25 1.48 2.12 0.42 -0.72 118.70 120.41 1d5g s GLU 90 Ca 0.19 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.33 1d5g s GLU 90 Cb 0.06 -2.15 -0.09 0.00 0.26 0.00 0.00 34.13 32.21 1d5g s GLU 90 CO -0.00 0.57 1.14 0.15 -0.54 0.00 0.00 175.26 176.57 1d5g s LYS 91 N -0.88 4.58 0.00 4.30 1.02 -0.20 -1.28 119.74 127.29 1d5g s LYS 91 Ca 0.11 1.84 0.00 0.00 0.02 0.00 0.00 55.97 57.94 1d5g s LYS 91 Cb -0.10 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1d5g s LYS 91 CO 0.01 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 1d5g n GLY 92 N 1.50 0.80 3.70 -3.33 0.00 -1.26 -4.56 105.19 102.04 1d5g n GLY 92 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 0.87 4.35 -0.15 1.61 -0.21 -1.25 -4.63 119.66 120.24 1d5g s GLN 93 Ca 0.00 0.80 -0.12 0.00 0.02 0.00 0.00 55.36 56.06 1d5g s GLN 93 Cb 0.00 -3.50 -0.08 0.00 1.00 0.00 0.00 33.01 30.43 1d5g s GLN 93 CO 0.00 -0.06 -0.00 0.77 -2.12 0.00 0.00 175.29 173.88 1d5g h SER 94 N 7.01 0.00 -0.22 5.90 0.02 -1.96 -3.41 113.55 120.89 1d5g h SER 94 Ca -0.37 -0.19 -0.70 0.00 -0.84 0.00 0.00 61.79 59.69 1d5g h SER 94 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 1d5g h SER 94 CO 0.77 0.94 3.30 -0.81 -1.14 0.00 0.00 176.83 179.89 1d5g n PRO 95 N -4.59 3.45 0.00 3.45 -0.04 -1.26 -5.22 135.00 130.80 1d5g n PRO 95 Ca -0.13 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1d5g n PRO 95 Cb 0.36 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 1d5g n PRO 95 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09