#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 2.05 0.19 -0.52 1.02 -1.26 -4.99 119.74 116.22 1d5g s LYS 2 Ca 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 1d5g s LYS 2 Cb 0.00 -2.18 0.10 0.00 -0.52 0.00 0.00 37.83 35.23 1d5g s LYS 2 CO 0.00 -1.32 1.73 -1.35 -0.92 0.00 0.00 175.35 173.50 1d5g h PRO 3 N -0.63 1.03 -2.34 -1.68 0.11 -1.97 -3.26 132.00 123.25 1d5g h PRO 3 Ca -0.44 -0.21 -0.78 0.00 0.11 0.00 0.00 66.00 64.69 1d5g h PRO 3 Cb 1.30 -0.16 -0.30 0.00 0.11 0.00 0.00 31.00 31.96 1d5g h PRO 3 CO 0.56 0.88 0.74 0.41 -0.21 0.00 0.00 178.00 180.38 1d5g n GLY 4 N -0.78 5.92 3.85 -0.55 0.00 -1.26 -4.60 105.19 107.76 1d5g n GLY 4 Ca 0.05 -2.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.12 1d5g n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d5g s ASP 5 N -1.72 6.62 -0.03 1.61 2.15 -1.23 -4.44 116.67 119.63 1d5g s ASP 5 Ca 0.39 1.49 -0.21 0.00 0.43 0.00 0.00 52.55 54.65 1d5g s ASP 5 Cb 0.18 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 1d5g s ASP 5 CO -0.10 -0.53 0.60 -0.63 -0.17 0.00 0.00 175.17 174.33 1d5g s ILE 6 N -2.55 4.96 0.03 4.11 1.09 -1.26 -0.79 121.20 126.80 1d5g s ILE 6 Ca 0.57 1.24 -0.08 0.00 -1.10 0.00 0.00 60.65 61.29 1d5g s ILE 6 Cb -0.10 -3.93 -0.00 0.00 -1.06 0.00 0.00 42.46 37.37 1d5g s ILE 6 CO 0.30 0.38 0.16 0.72 -0.10 0.00 0.00 174.94 176.40 1d5g s PHE 7 N 0.05 0.09 -0.14 3.97 -0.71 -0.12 -4.98 117.98 116.14 1d5g s PHE 7 Ca 0.31 -0.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 1d5g s PHE 7 Cb -0.18 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.59 1d5g s PHE 7 CO 0.16 -0.39 -0.12 -1.83 -1.34 0.00 0.00 175.22 171.70 1d5g s GLU 8 N -2.37 2.11 -0.12 1.99 -1.05 -1.26 -0.30 118.70 117.70 1d5g s GLU 8 Ca -0.07 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.21 1d5g s GLU 8 Cb -0.02 -2.00 -0.04 0.00 -0.44 0.00 0.00 34.13 31.63 1d5g s GLU 8 CO -0.03 -0.25 0.05 0.08 0.95 0.00 0.00 175.26 176.06 1d5g s VAL 9 N 1.54 4.70 -0.17 1.83 1.01 -0.98 -4.98 120.40 123.34 1d5g s VAL 9 Ca 0.05 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1d5g s VAL 9 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1d5g s VAL 9 CO -0.10 0.57 -0.06 -0.70 0.00 0.00 0.00 175.10 174.81 1d5g s GLU 10 N -0.57 3.52 0.12 2.72 2.12 -1.26 -2.69 118.70 122.67 1d5g s GLU 10 Ca 0.10 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.86 1d5g s GLU 10 Cb -0.12 -2.88 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 1d5g s GLU 10 CO 0.02 0.11 0.07 -0.11 -0.54 0.00 0.00 175.26 174.81 1d5g n LEU 11 N 3.90 0.00 -4.01 2.70 7.94 0.44 -5.01 117.00 122.96 1d5g n LEU 11 Ca -0.18 -1.04 -0.08 0.00 -1.11 0.00 0.00 56.01 53.60 1d5g n LEU 11 Cb 0.52 0.44 -0.10 0.00 0.53 0.00 0.00 43.42 44.82 1d5g n LEU 11 CO 0.31 -0.17 -0.29 0.00 -1.11 0.00 0.00 177.39 176.13 1d5g s ALA 12 N -2.41 0.24 -0.31 1.96 0.00 -1.26 -1.14 121.76 118.84 1d5g s ALA 12 Ca 0.10 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 1d5g s ALA 12 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1d5g s ALA 12 CO 0.07 -0.35 1.55 0.21 0.00 0.00 0.00 175.76 177.24 1d5g s LYS 13 N -3.31 3.64 0.00 0.00 2.20 0.46 -4.82 119.74 117.91 1d5g s LYS 13 Ca 0.01 1.33 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 1d5g s LYS 13 Cb 0.03 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 1d5g s LYS 13 CO -0.08 -1.48 0.00 0.27 -0.36 0.00 0.00 175.35 173.70 1d5g n ASN 14 N 8.85 0.00 0.05 1.43 0.23 -1.26 -4.85 115.26 119.71 1d5g n ASN 14 Ca 0.18 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 54.02 1d5g n ASN 14 Cb 0.47 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 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 0.53 -5.23 0.53 3.32 -1.97 -3.49 116.42 110.11 1d5g h ASP 15 Ca 0.00 -0.91 -0.48 0.00 0.02 0.00 0.00 57.03 55.66 1d5g h ASP 15 Cb 0.00 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 39.25 1d5g h ASP 15 CO 0.00 1.60 -0.50 0.21 -1.72 0.00 0.00 179.24 178.82 1d5g s ASN 16 N -7.15 1.88 0.00 6.45 2.47 -1.26 -4.99 114.94 112.33 1d5g s ASN 16 Ca -0.16 -1.73 0.00 0.00 0.42 0.00 0.00 52.86 51.40 1d5g s ASN 16 Cb 0.03 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 40.38 1d5g s ASN 16 CO 0.83 -1.03 0.00 -1.54 -3.72 0.00 0.00 177.10 171.64 1d5g n SER 17 N -1.44 0.00 0.00 -4.21 3.41 -1.26 -4.42 113.62 105.69 1d5g n SER 17 Ca 0.04 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1d5g n SER 17 Cb 0.63 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.83 0.00 -0.47 1.04 4.77 -1.26 -4.71 117.00 114.55 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 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1d5g n LEU 18 CO 0.00 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1d5g n GLY 19 N 2.26 0.49 3.04 -0.72 0.00 -1.26 -1.45 105.19 107.55 1d5g n GLY 19 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.94 0.06 0.23 -0.61 2.07 -1.26 -3.58 121.20 116.17 1d5g s ILE 20 Ca 0.00 -0.48 -0.18 0.00 -1.41 0.00 0.00 60.65 58.58 1d5g s ILE 20 Cb 0.00 -0.30 -0.08 0.00 0.13 0.00 0.00 42.46 42.21 1d5g s ILE 20 CO 0.00 -0.27 0.70 -0.55 -1.91 0.00 0.00 174.94 172.91 1d5g s SER 21 N -0.87 6.96 0.12 4.50 0.15 -0.48 -4.97 113.70 119.10 1d5g s SER 21 Ca -0.10 1.34 0.06 0.00 0.70 0.00 0.00 55.95 57.94 1d5g s SER 21 Cb -0.06 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 1d5g s SER 21 CO 0.01 -0.01 0.00 -0.69 1.20 0.00 0.00 173.24 173.75 1d5g s VAL 22 N -1.62 3.94 -0.11 4.45 1.01 -1.26 -0.68 120.40 126.14 1d5g s VAL 22 Ca 0.45 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1d5g s VAL 22 Cb -0.15 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.36 1d5g s VAL 22 CO 0.20 0.05 0.05 0.28 0.00 0.00 0.00 175.10 175.68 1d5g s THR 23 N -1.43 0.11 0.00 3.92 -1.32 -0.56 -4.61 115.64 111.75 1d5g s THR 23 Ca 0.26 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1d5g s THR 23 Cb -0.11 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 1d5g s THR 23 CO 0.18 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1d5g n GLY 24 N 5.22 1.16 2.10 6.08 0.00 -1.26 -4.02 105.19 114.47 1d5g n GLY 24 Ca -0.06 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 0.32 0.00 -0.02 0.00 -1.26 -4.65 105.19 99.58 1d5g n GLY 25 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1d5g n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d5g n VAL 26 N -3.72 0.00 -0.01 1.61 0.24 -1.26 -0.95 118.33 114.24 1d5g n VAL 26 Ca -0.05 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.13 1d5g n VAL 26 Cb 0.45 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.84 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 0.71 -3.25 -1.34 7.08 -1.91 -2.79 115.58 114.08 1d5g h ASN 27 Ca 0.00 -0.39 -0.52 0.00 -3.08 0.00 0.00 56.30 52.31 1d5g h ASN 27 Cb 0.00 -0.20 -0.38 0.00 -2.08 0.00 0.00 38.32 35.66 1d5g h ASN 27 CO 0.00 1.13 -0.79 0.28 -2.08 0.00 0.00 177.43 175.97 1d5g s THR 28 N -3.97 0.89 0.00 6.14 -1.32 -1.26 -4.23 115.64 111.90 1d5g s THR 28 Ca -0.08 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1d5g s THR 28 Cb 0.11 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1d5g s THR 28 CO 0.86 0.23 0.00 -0.24 -2.21 0.00 0.00 174.62 173.25 1d5g n SER 29 N 4.97 0.00 -0.02 8.08 2.88 -1.26 -4.92 113.62 123.34 1d5g n SER 29 Ca -0.11 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.31 1d5g n SER 29 Cb 0.49 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 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 1.29 -1.67 2.46 3.04 -1.86 -3.48 116.25 116.03 1d5g h VAL 30 Ca 0.00 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.04 1d5g h VAL 30 Cb 0.00 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1d5g h VAL 30 CO 0.00 0.38 0.00 0.54 -1.01 0.00 0.00 177.57 177.48 1d5g n ARG 31 N -4.76 1.66 -2.43 4.17 5.12 -1.26 -5.04 116.66 114.12 1d5g n ARG 31 Ca -0.08 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.46 1d5g n ARG 31 Cb 0.33 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.60 1d5g n ARG 31 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1d5g s HIS 32 N 0.01 2.36 0.11 -1.55 -3.43 -1.26 -4.46 115.29 107.07 1d5g s HIS 32 Ca 0.00 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 1d5g s HIS 32 Cb 0.00 -4.53 0.00 0.00 -1.43 0.00 0.00 32.58 26.62 1d5g s HIS 32 CO 0.00 -1.86 0.00 0.41 -2.00 0.00 0.00 174.74 171.29 1d5g n GLY 33 N 6.73 -1.91 0.00 -1.38 0.00 -1.05 -0.87 105.19 106.70 1d5g n GLY 33 Ca 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.60 1.31 3.22 -0.02 0.00 -1.20 -4.57 105.19 101.33 1d5g n GLY 34 Ca -0.01 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1d5g n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d5g s ILE 35 N -1.82 1.59 0.01 -0.61 -1.09 -1.05 -4.21 121.20 114.02 1d5g s ILE 35 Ca 0.00 -1.03 0.07 0.00 -2.23 0.00 0.00 60.65 57.45 1d5g s ILE 35 Cb 0.00 -1.35 -0.02 0.00 -1.58 0.00 0.00 42.46 39.51 1d5g s ILE 35 CO 0.00 0.29 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.33 1d5g s TYR 36 N -0.66 1.78 -0.05 3.97 5.04 -1.26 -1.09 117.35 125.09 1d5g s TYR 36 Ca 0.07 -0.35 -0.18 0.00 -2.44 0.00 0.00 57.07 54.17 1d5g s TYR 36 Cb -0.08 -1.11 -0.05 0.00 0.35 0.00 0.00 41.96 41.07 1d5g s TYR 36 CO 0.01 0.02 0.51 0.08 -1.34 0.00 0.00 175.55 174.83 1d5g s VAL 37 N -0.62 5.04 -0.09 3.14 1.01 -0.20 -1.50 120.40 127.18 1d5g s VAL 37 Ca 0.07 1.05 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 1d5g s VAL 37 Cb -0.08 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1d5g s VAL 37 CO 0.00 0.41 -0.12 1.17 0.00 0.00 0.00 175.10 176.56 1d5g n LYS 38 N 2.92 0.30 -3.52 2.72 4.81 0.14 -1.62 118.16 123.91 1d5g n LYS 38 Ca -0.08 0.40 -0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1d5g n LYS 38 Cb 0.51 -1.34 -0.03 0.00 0.02 0.00 0.00 35.03 34.20 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 -2.84 -1.84 0.03 3.14 0.00 -1.20 -4.45 121.76 114.60 1d5g s ALA 39 Ca -0.10 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 1d5g s ALA 39 Cb 0.01 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 1d5g s ALA 39 CO 0.15 -0.62 0.65 0.54 0.00 0.00 0.00 175.76 176.48 1d5g s VAL 40 N -2.75 4.81 -0.23 0.00 0.11 -1.26 -1.39 120.40 119.70 1d5g s VAL 40 Ca 0.04 1.38 -0.24 0.00 -2.93 0.00 0.00 61.98 60.22 1d5g s VAL 40 Cb -0.01 -3.99 -0.01 0.00 -1.53 0.00 0.00 36.38 30.84 1d5g s VAL 40 CO -0.07 0.42 0.80 -0.63 -3.33 0.00 0.00 175.10 172.30 1d5g s ILE 41 N -0.31 4.86 0.00 7.04 -1.09 -1.23 -4.93 121.20 125.54 1d5g s ILE 41 Ca 0.33 1.53 -0.02 0.00 -2.23 0.00 0.00 60.65 60.26 1d5g s ILE 41 Cb -0.19 -4.10 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 1d5g s ILE 41 CO 0.20 -0.04 2.00 -2.65 -1.23 0.00 0.00 174.94 173.22 1d5g n PRO 42 N 5.80 1.03 -2.71 2.79 -0.02 -1.26 -4.02 135.00 136.61 1d5g n PRO 42 Ca 0.05 -0.33 -0.03 0.00 -2.02 0.00 0.00 63.50 61.16 1d5g n PRO 42 Cb 0.48 -1.49 0.10 0.00 -0.02 0.00 0.00 33.50 32.57 1d5g n PRO 42 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1d5g n GLN 43 N 2.14 1.39 -2.14 -0.52 0.00 -1.26 -5.02 117.38 111.97 1d5g n GLN 43 Ca 0.14 -2.02 0.00 0.00 -0.00 0.00 0.00 57.00 55.13 1d5g n GLN 43 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 30.24 30.47 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1d5g n GLY 44 N -1.01 0.77 0.29 1.69 0.00 -1.26 -4.90 105.19 100.77 1d5g n GLY 44 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.08 1d5g n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g h ALA 45 N 2.00 1.11 -0.74 4.61 0.00 -1.80 -0.72 119.26 123.72 1d5g h ALA 45 Ca -0.05 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1d5g h ALA 45 Cb 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.87 1d5g h ALA 45 CO 0.06 -0.02 0.33 0.00 0.00 0.00 0.00 179.25 179.63 1d5g h ALA 46 N 1.47 1.04 0.41 0.00 0.00 -1.49 0.47 119.26 121.15 1d5g h ALA 46 Ca 0.39 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1d5g h ALA 46 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1d5g h ALA 46 CO -0.29 -0.14 -0.20 1.49 0.00 0.00 0.00 179.25 180.11 1d5g h GLU 47 N 0.51 -0.54 -0.14 0.00 4.57 -1.64 -1.69 114.58 115.65 1d5g h GLU 47 Ca 0.39 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.64 1d5g h GLU 47 Cb 0.53 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1d5g h GLU 47 CO -0.35 -0.36 -0.07 0.77 -1.18 0.00 0.00 179.01 177.82 1d5g h SER 48 N -1.01 -0.24 1.06 1.04 0.02 -0.99 -2.77 113.55 110.66 1d5g h SER 48 Ca -0.06 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1d5g h SER 48 Cb 0.43 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1d5g h SER 48 CO 0.09 -0.10 -0.98 -0.78 -1.14 0.00 0.00 176.83 173.93 1d5g h ASP 49 N -0.06 0.00 -2.28 3.07 3.58 -1.11 -3.49 116.42 116.13 1d5g h ASP 49 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1d5g h ASP 49 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1d5g h ASP 49 CO -0.18 0.79 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 1d5g n GLY 50 N 1.34 -0.13 0.81 -0.78 0.00 -1.04 -5.07 105.19 100.32 1d5g n GLY 50 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.64 0.00 -4.66 1.61 0.00 -0.66 -5.04 116.66 107.28 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 0.26 -0.33 -0.16 0.00 0.00 0.00 0.00 32.46 32.23 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 -1.47 1.18 0.37 5.15 1.01 -1.26 -5.06 121.20 121.12 1d5g s ILE 52 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1d5g s ILE 52 Cb 0.00 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.37 1d5g s ILE 52 CO 0.00 0.35 0.04 -1.00 0.00 0.00 0.00 174.94 174.34 1d5g s HIS 53 N 0.22 2.12 0.24 3.97 3.76 -1.26 -4.85 115.29 119.50 1d5g s HIS 53 Ca -0.06 -0.89 -0.31 0.00 -0.15 0.00 0.00 55.06 53.65 1d5g s HIS 53 Cb -0.12 -1.45 -0.13 0.00 1.11 0.00 0.00 32.58 31.99 1d5g s HIS 53 CO 0.02 0.14 1.54 1.17 -0.85 0.00 0.00 174.74 176.76 1d5g n LYS 54 N -0.83 2.38 -1.02 1.40 4.81 -1.26 -3.39 118.16 120.25 1d5g n LYS 54 Ca -0.04 0.85 -0.01 0.00 -0.87 0.00 0.00 58.31 58.24 1d5g n LYS 54 Cb 0.67 -2.59 -0.00 0.00 0.02 0.00 0.00 35.03 33.12 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d5g n GLY 55 N 2.56 0.47 3.89 3.14 0.00 -0.64 -4.93 105.19 109.68 1d5g n GLY 55 Ca 0.12 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.21 5.00 -0.03 1.61 1.01 -1.22 -3.61 116.67 117.22 1d5g s ASP 56 Ca 0.00 0.97 0.03 0.00 0.71 0.00 0.00 52.55 54.26 1d5g s ASP 56 Cb 0.00 -1.62 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1d5g s ASP 56 CO 0.00 -1.61 -0.10 -0.60 0.21 0.00 0.00 175.17 173.07 1d5g s ARG 57 N -5.46 1.08 0.03 8.23 3.52 -0.71 -1.04 118.95 124.60 1d5g s ARG 57 Ca 0.60 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.89 1d5g s ARG 57 Cb -0.11 -1.00 -0.04 0.00 -1.56 0.00 0.00 34.95 32.25 1d5g s ARG 57 CO 0.51 0.13 -0.06 0.14 -0.81 0.00 0.00 175.30 175.21 1d5g s VAL 58 N 0.18 3.71 0.25 7.11 -7.23 -0.25 -0.42 120.40 123.76 1d5g s VAL 58 Ca -0.03 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1d5g s VAL 58 Cb -0.09 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1d5g s VAL 58 CO 0.01 0.32 0.00 -0.11 -0.31 0.00 0.00 175.10 175.01 1d5g n LEU 59 N 1.30 0.10 -4.82 1.32 7.94 -0.58 -2.53 117.00 119.73 1d5g n LEU 59 Ca -0.14 0.42 -0.36 0.00 -1.11 0.00 0.00 56.01 54.82 1d5g n LEU 59 Cb 0.52 0.25 -0.07 0.00 0.53 0.00 0.00 43.42 44.66 1d5g n LEU 59 CO 0.32 -0.79 -0.20 0.00 -1.11 0.00 0.00 177.39 175.61 1d5g s ALA 60 N -2.00 3.73 -0.28 1.96 0.00 -1.19 -0.92 121.76 123.06 1d5g s ALA 60 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1d5g s ALA 60 Cb 0.00 -1.90 0.07 0.00 0.00 0.00 0.00 23.12 21.30 1d5g s ALA 60 CO 0.00 0.55 -0.03 0.54 0.00 0.00 0.00 175.76 176.82 1d5g s VAL 61 N -0.79 1.84 -1.46 0.00 0.11 0.47 -0.19 120.40 120.39 1d5g s VAL 61 Ca 0.13 -1.66 -0.11 0.00 -2.93 0.00 0.00 61.98 57.41 1d5g s VAL 61 Cb -0.12 -2.16 0.05 0.00 -1.53 0.00 0.00 36.38 32.63 1d5g s VAL 61 CO 0.03 -0.27 1.06 -3.20 -3.33 0.00 0.00 175.10 169.39 1d5g n ASN 62 N 4.51 -5.33 0.00 3.54 5.15 -0.45 -0.87 115.26 121.81 1d5g n ASN 62 Ca -0.07 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 1d5g n ASN 62 Cb 0.43 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.32 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 -1.81 0.87 3.28 8.20 0.00 -1.26 -5.02 105.19 109.45 1d5g n GLY 63 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.13 4.14 -0.13 1.61 1.01 -0.05 -5.08 120.40 118.77 1d5g s VAL 64 Ca 0.00 -1.28 -0.29 0.00 0.00 0.00 0.00 61.98 60.41 1d5g s VAL 64 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1d5g s VAL 64 CO 0.00 -0.39 1.09 -0.55 0.00 0.00 0.00 175.10 175.25 1d5g s SER 65 N 1.85 7.13 -0.28 3.32 0.15 -1.26 -0.39 113.70 124.21 1d5g s SER 65 Ca 0.02 1.59 0.04 0.00 0.70 0.00 0.00 55.95 58.30 1d5g s SER 65 Cb -0.22 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.00 1d5g s SER 65 CO 0.03 -0.57 1.57 0.00 1.20 0.00 0.00 173.24 175.47 1d5g n LEU 66 N 5.53 5.29 -4.76 3.45 -0.00 -0.10 -4.90 117.00 121.51 1d5g n LEU 66 Ca 0.11 -2.78 -0.41 0.00 -0.00 0.00 0.00 56.01 52.92 1d5g n LEU 66 Cb 0.47 -0.71 -0.01 0.00 -0.00 0.00 0.00 43.42 43.17 1d5g n LEU 66 CO 0.53 0.81 1.15 -1.83 -0.00 0.00 0.00 177.39 178.05 1d5g s GLU 67 N -2.19 4.18 0.00 1.47 -1.05 -1.26 -2.52 118.70 117.33 1d5g s GLU 67 Ca 0.38 2.47 0.00 0.00 -0.15 0.00 0.00 54.97 57.67 1d5g s GLU 67 Cb 0.31 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.97 1d5g s GLU 67 CO 0.08 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.20 1d5g n GLY 68 N 1.47 1.99 3.77 -3.83 0.00 -0.05 -4.91 105.19 103.62 1d5g n GLY 68 Ca 0.05 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.42 3.28 0.60 4.61 0.00 -1.05 -4.42 121.76 124.36 1d5g s ALA 69 Ca 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.65 1d5g s ALA 69 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1d5g s ALA 69 CO 0.00 -0.09 0.93 0.95 0.00 0.00 0.00 175.76 177.54 1d5g s THR 70 N -1.36 3.83 0.17 0.00 -4.23 -1.26 -3.60 115.64 109.19 1d5g s THR 70 Ca 0.49 0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.94 1d5g s THR 70 Cb -0.27 -3.53 0.09 0.00 1.34 0.00 0.00 72.50 70.13 1d5g s THR 70 CO 0.34 -0.58 1.60 -0.74 -0.54 0.00 0.00 174.62 174.71 1d5g h HIS 71 N -0.22 -0.81 0.00 3.99 2.76 -1.31 0.11 115.15 119.68 1d5g h HIS 71 Ca -0.45 0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 57.69 1d5g h HIS 71 Cb 1.25 0.42 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 1d5g h HIS 71 CO 0.50 -0.36 -0.41 -0.22 -1.30 0.00 0.00 177.93 176.14 1d5g h LYS 72 N -0.21 0.00 -0.04 5.26 1.63 -1.93 0.33 116.57 121.60 1d5g h LYS 72 Ca 0.19 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 1d5g h LYS 72 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1d5g h LYS 72 CO -0.56 0.41 -0.27 0.37 -3.45 0.00 0.00 179.45 175.95 1d5g h GLN 73 N 0.00 0.26 -0.48 1.90 5.75 -1.76 -3.21 115.11 117.58 1d5g h GLN 73 Ca -0.00 -0.22 -0.10 0.00 -0.15 0.00 0.00 58.65 58.18 1d5g h GLN 73 Cb 0.73 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 1d5g h GLN 73 CO 0.05 0.88 -0.08 0.00 -2.65 0.00 0.00 178.83 177.04 1d5g h ALA 74 N 0.38 0.65 -0.32 3.38 0.00 -0.67 -3.11 119.26 119.57 1d5g h ALA 74 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1d5g h ALA 74 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1d5g h ALA 74 CO 0.06 0.53 0.04 -0.24 0.00 0.00 0.00 179.25 179.63 1d5g h VAL 75 N 0.75 1.17 -0.48 0.00 3.04 -1.04 -1.60 116.25 118.09 1d5g h VAL 75 Ca 0.13 -0.65 -0.06 0.00 -1.01 0.00 0.00 66.70 65.11 1d5g h VAL 75 Cb 0.62 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 1d5g h VAL 75 CO 0.04 0.23 0.06 -0.08 -1.01 0.00 0.00 177.57 176.81 1d5g h GLU 76 N 0.47 0.76 -0.27 4.17 4.81 -1.54 0.43 114.58 123.40 1d5g h GLU 76 Ca 0.11 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1d5g h GLU 76 Cb 0.25 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1d5g h GLU 76 CO 0.00 0.73 -0.25 1.15 -0.73 0.00 0.00 179.01 179.91 1d5g h THR 77 N 0.72 1.27 0.11 0.32 2.02 -1.30 -0.98 112.91 115.07 1d5g h THR 77 Ca 0.15 -1.29 -0.28 0.00 0.77 0.00 0.00 66.41 65.76 1d5g h THR 77 Cb 0.36 1.34 0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1d5g h THR 77 CO 0.01 0.41 -1.20 -0.07 0.37 0.00 0.00 175.52 175.04 1d5g h LEU 78 N 0.46 0.70 0.02 2.58 3.38 -0.94 -3.31 115.31 118.20 1d5g h LEU 78 Ca 0.07 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 1d5g h LEU 78 Cb 0.68 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1d5g h LEU 78 CO 0.05 1.47 -0.01 0.03 0.09 0.00 0.00 178.44 180.08 1d5g h ARG 79 N 0.21 -0.03 -2.87 1.13 3.08 -0.89 -3.25 114.38 111.77 1d5g h ARG 79 Ca -0.16 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 59.18 1d5g h ARG 79 Cb 1.87 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.87 1d5g h ARG 79 CO 0.22 0.13 3.06 0.09 -1.07 0.00 0.00 179.97 182.39 1d5g n ASN 80 N -5.03 8.09 -0.08 7.04 3.02 -0.38 -4.04 115.26 123.88 1d5g n ASN 80 Ca -0.08 -2.88 -0.08 0.00 -0.03 0.00 0.00 54.58 51.52 1d5g n ASN 80 Cb 0.11 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 37.79 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 2.72 1.31 0.00 3.41 -2.24 -1.23 -4.89 114.28 113.37 1d5g n THR 81 Ca 0.68 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.65 1d5g n THR 81 Cb 0.25 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 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 1.48 1.34 0.07 3.38 0.00 -1.26 -4.64 105.19 105.57 1d5g n GLY 82 Ca -0.12 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -6.43 1.61 4.15 -1.96 -3.40 115.11 109.08 1d5g h GLN 83 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 1d5g h GLN 83 Cb 0.00 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 27.52 1d5g h GLN 83 CO 0.00 0.70 -0.73 0.14 -1.93 0.00 0.00 178.83 177.01 1d5g s VAL 84 N -2.08 3.45 -0.09 2.39 -7.23 -1.26 -0.41 120.40 115.17 1d5g s VAL 84 Ca -0.15 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1d5g s VAL 84 Cb -0.01 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1d5g s VAL 84 CO 0.48 0.27 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.76 1d5g s VAL 85 N -1.09 1.03 -0.05 1.32 1.01 -0.29 -4.90 120.40 117.43 1d5g s VAL 85 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1d5g s VAL 85 Cb -0.11 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1d5g s VAL 85 CO 0.10 0.36 -0.00 -2.28 0.00 0.00 0.00 175.10 173.27 1d5g s HIS 86 N 1.33 0.57 0.14 5.22 2.46 -1.26 -0.42 115.29 123.33 1d5g s HIS 86 Ca -0.02 -0.11 -0.10 0.00 0.47 0.00 0.00 55.06 55.29 1d5g s HIS 86 Cb -0.14 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.65 1d5g s HIS 86 CO -0.04 -0.25 0.29 -0.48 -2.47 0.00 0.00 174.74 171.79 1d5g s LEU 87 N 1.56 0.98 -0.12 8.88 2.34 -1.09 -1.34 118.68 129.89 1d5g s LEU 87 Ca -0.02 -0.69 0.03 0.00 0.06 0.00 0.00 54.13 53.51 1d5g s LEU 87 Cb -0.13 1.30 0.00 0.00 -0.56 0.00 0.00 46.19 46.80 1d5g s LEU 87 CO -0.03 -0.84 -0.21 -0.76 -1.06 0.00 0.00 176.35 173.45 1d5g s LEU 88 N -2.90 2.23 0.27 1.48 1.02 0.74 -2.32 118.68 119.20 1d5g s LEU 88 Ca 0.10 -0.53 0.11 0.00 0.02 0.00 0.00 54.13 53.84 1d5g s LEU 88 Cb 0.03 -1.47 -0.05 0.00 0.02 0.00 0.00 46.19 44.73 1d5g s LEU 88 CO -0.06 0.13 -0.15 -0.76 0.02 0.00 0.00 176.35 175.53 1d5g s LEU 89 N 0.54 2.73 -0.13 1.79 1.02 0.59 -1.53 118.68 123.69 1d5g s LEU 89 Ca -0.13 -0.92 0.03 0.00 0.02 0.00 0.00 54.13 53.13 1d5g s LEU 89 Cb -0.17 -1.26 0.01 0.00 0.02 0.00 0.00 46.19 44.79 1d5g s LEU 89 CO 0.04 0.04 -0.22 -0.70 0.02 0.00 0.00 176.35 175.53 1d5g s GLU 90 N -3.48 3.02 0.50 1.70 2.12 0.44 -0.94 118.70 122.07 1d5g s GLU 90 Ca 0.30 -0.86 -0.22 0.00 0.36 0.00 0.00 54.97 54.55 1d5g s GLU 90 Cb -0.06 -2.40 -0.06 0.00 0.26 0.00 0.00 34.13 31.87 1d5g s GLU 90 CO 0.16 0.03 1.19 0.21 -0.54 0.00 0.00 175.26 176.31 1d5g s LYS 91 N 0.70 3.50 0.00 4.30 2.20 0.03 -1.74 119.74 128.73 1d5g s LYS 91 Ca -0.10 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 1d5g s LYS 91 Cb -0.16 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 1d5g s LYS 91 CO 0.01 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 1d5g n GLY 92 N 0.43 0.89 3.95 5.54 0.00 -1.24 -4.36 105.19 110.42 1d5g n GLY 92 Ca 0.09 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 0.16 3.42 -0.10 1.61 -0.21 -1.26 -4.23 119.66 119.05 1d5g s GLN 93 Ca 0.00 -0.71 -0.21 0.00 0.02 0.00 0.00 55.36 54.46 1d5g s GLN 93 Cb 0.00 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.07 1d5g s GLN 93 CO 0.00 0.46 0.62 0.45 -2.12 0.00 0.00 175.29 174.70 1d5g s SER 94 N -3.69 6.85 1.05 5.90 0.15 -1.26 -5.05 113.70 117.65 1d5g s SER 94 Ca 0.34 1.02 -0.07 0.00 0.70 0.00 0.00 55.95 57.95 1d5g s SER 94 Cb -0.10 -2.36 0.10 0.00 -1.71 0.00 0.00 66.02 61.94 1d5g s SER 94 CO 0.29 -0.10 0.43 -0.81 1.20 0.00 0.00 173.24 174.25 1d5g n PRO 95 N 3.92 -1.14 0.00 5.44 -0.04 -1.26 -5.25 135.00 136.67 1d5g n PRO 95 Ca -0.03 -0.68 0.13 0.00 -0.04 0.00 0.00 63.50 62.88 1d5g n PRO 95 Cb 0.51 -0.54 0.39 0.00 -0.04 0.00 0.00 33.50 33.82 1d5g n PRO 95 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09