#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 2.26 0.13 -0.52 1.02 -1.26 -5.02 119.74 116.35 1d5g s LYS 2 Ca 0.00 -0.78 -0.16 0.00 0.02 0.00 0.00 55.97 55.06 1d5g s LYS 2 Cb 0.00 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1d5g s LYS 2 CO 0.00 -0.99 1.64 -1.35 -0.92 0.00 0.00 175.35 173.73 1d5g h PRO 3 N -0.19 0.63 -2.00 -1.68 0.11 -1.98 -3.25 132.00 123.64 1d5g h PRO 3 Ca -0.41 -0.14 -0.61 0.00 0.11 0.00 0.00 66.00 64.95 1d5g h PRO 3 Cb 1.29 -0.09 -0.21 0.00 0.11 0.00 0.00 31.00 32.10 1d5g h PRO 3 CO 0.50 0.64 0.66 0.41 -0.21 0.00 0.00 178.00 180.01 1d5g n GLY 4 N -0.62 4.82 2.83 -0.55 0.00 -1.26 -4.86 105.19 105.55 1d5g n GLY 4 Ca -0.00 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 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 0.30 0.30 -4.76 1.61 -0.08 -1.23 -4.42 116.55 108.28 1d5g n ASP 5 Ca 0.51 -1.47 -0.40 0.00 -1.51 0.00 0.00 54.79 51.92 1d5g n ASP 5 Cb 0.42 -0.68 -0.05 0.00 2.34 0.00 0.00 41.12 43.15 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 -2.90 4.65 0.03 5.18 1.01 -1.26 -0.80 121.20 127.10 1d5g s ILE 6 Ca 0.54 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.81 1d5g s ILE 6 Cb -0.02 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1d5g s ILE 6 CO 0.37 0.42 -0.10 0.72 0.00 0.00 0.00 174.94 176.35 1d5g s PHE 7 N -0.43 0.89 -0.19 3.97 -0.71 -0.28 -4.95 117.98 116.28 1d5g s PHE 7 Ca 0.36 -0.32 -0.03 0.00 -1.04 0.00 0.00 56.93 55.91 1d5g s PHE 7 Cb -0.21 -0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 41.05 1d5g s PHE 7 CO 0.23 -0.01 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.82 1d5g s GLU 8 N -0.95 3.39 0.06 1.99 2.02 -1.26 -1.29 118.70 122.67 1d5g s GLU 8 Ca -0.01 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.36 1d5g s GLU 8 Cb -0.07 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.24 1d5g s GLU 8 CO 0.01 -0.05 0.14 0.14 0.02 0.00 0.00 175.26 175.52 1d5g s VAL 9 N 1.06 4.94 -0.37 2.63 -7.23 -0.92 -5.04 120.40 115.47 1d5g s VAL 9 Ca 0.00 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1d5g s VAL 9 Cb -0.15 -3.38 0.15 0.00 0.56 0.00 0.00 36.38 33.56 1d5g s VAL 9 CO -0.01 0.15 0.25 -0.70 -0.31 0.00 0.00 175.10 174.48 1d5g s GLU 10 N -2.40 0.67 0.35 4.82 2.12 -1.26 -3.12 118.70 119.88 1d5g s GLU 10 Ca 0.31 -1.57 0.04 0.00 0.36 0.00 0.00 54.97 54.11 1d5g s GLU 10 Cb -0.13 -1.37 -0.03 0.00 0.26 0.00 0.00 34.13 32.87 1d5g s GLU 10 CO 0.24 -1.26 0.17 -1.17 -0.54 0.00 0.00 175.26 172.70 1d5g s LEU 11 N 0.76 1.83 0.25 2.70 2.96 -0.79 -5.03 118.68 121.35 1d5g s LEU 11 Ca 0.22 -1.64 -0.00 0.00 -0.22 0.00 0.00 54.13 52.49 1d5g s LEU 11 Cb -0.15 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 1d5g s LEU 11 CO -0.05 -0.93 0.22 0.00 -1.32 0.00 0.00 176.35 174.27 1d5g s ALA 12 N -3.41 1.20 0.20 5.97 0.00 -1.26 -0.95 121.76 123.51 1d5g s ALA 12 Ca 0.32 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1d5g s ALA 12 Cb 0.04 1.37 -0.09 0.00 0.00 0.00 0.00 23.12 24.44 1d5g s ALA 12 CO 0.18 -0.64 1.35 0.21 0.00 0.00 0.00 175.76 176.86 1d5g s LYS 13 N -3.90 4.36 0.00 0.00 2.20 0.43 -4.77 119.74 118.06 1d5g s LYS 13 Ca 0.38 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1d5g s LYS 13 Cb 0.05 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1d5g s LYS 13 CO 0.16 -0.31 0.00 0.09 -0.36 0.00 0.00 175.35 174.94 1d5g n ASN 14 N 2.66 0.00 0.08 1.43 3.02 -1.26 -4.93 115.26 116.25 1d5g n ASN 14 Ca 0.07 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 1d5g n ASN 14 Cb 0.42 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.67 1d5g n ASN 14 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1d5g h ASP 15 N 0.00 0.32 -3.18 6.41 3.32 -1.94 -3.47 116.42 117.89 1d5g h ASP 15 Ca 0.00 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.67 1d5g h ASP 15 Cb 0.00 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1d5g h ASP 15 CO 0.00 0.90 -0.08 -3.20 -1.72 0.00 0.00 179.24 175.14 1d5g n ASN 16 N -3.83 -0.96 -0.01 6.45 5.15 -1.26 -4.97 115.26 115.83 1d5g n ASN 16 Ca -0.03 -2.28 -0.00 0.00 -0.60 0.00 0.00 54.58 51.67 1d5g n ASN 16 Cb 0.67 1.78 -0.00 0.00 -0.53 0.00 0.00 39.78 41.70 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1d5g h SER 17 N 1.35 0.00 0.00 1.20 0.87 -1.92 -3.40 113.55 111.64 1d5g h SER 17 Ca -0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1d5g h SER 17 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1d5g h SER 17 CO 0.25 0.11 0.00 0.18 -0.53 0.00 0.00 176.83 176.85 1d5g n LEU 18 N -2.60 0.00 0.00 2.23 4.32 -1.26 -4.53 117.00 115.16 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 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 1d5g n GLY 19 N 2.74 0.62 3.13 -0.72 0.00 -1.26 -1.17 105.19 108.53 1d5g n GLY 19 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.28 0.27 0.01 -0.61 2.07 -1.26 -1.25 121.20 119.14 1d5g s ILE 20 Ca 0.00 -1.87 0.07 0.00 -1.41 0.00 0.00 60.65 57.44 1d5g s ILE 20 Cb 0.00 -1.78 -0.02 0.00 0.13 0.00 0.00 42.46 40.79 1d5g s ILE 20 CO 0.00 -0.75 -0.23 -0.55 -1.91 0.00 0.00 174.94 171.51 1d5g s SER 21 N -3.00 2.71 0.03 4.50 0.15 -0.03 -4.79 113.70 113.27 1d5g s SER 21 Ca 0.15 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1d5g s SER 21 Cb 0.07 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1d5g s SER 21 CO -0.04 0.25 -0.12 -0.69 1.20 0.00 0.00 173.24 173.84 1d5g s VAL 22 N -0.64 0.95 -0.13 4.45 1.01 -1.26 -0.33 120.40 124.45 1d5g s VAL 22 Ca 0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1d5g s VAL 22 Cb -0.09 -0.88 0.05 0.00 0.00 0.00 0.00 36.38 35.46 1d5g s VAL 22 CO 0.00 -0.04 0.04 0.28 0.00 0.00 0.00 175.10 175.38 1d5g s THR 23 N -0.85 0.27 0.17 3.92 -1.32 -0.18 -4.71 115.64 112.93 1d5g s THR 23 Ca -0.00 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1d5g s THR 23 Cb -0.08 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 1d5g s THR 23 CO 0.01 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1d5g n GLY 24 N 5.16 -1.64 0.00 6.08 0.00 -1.26 -4.08 105.19 109.45 1d5g n GLY 24 Ca -0.07 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.64 0.55 0.47 -0.02 0.00 -1.26 -3.95 105.19 98.34 1d5g n GLY 25 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 1d5g n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1d5g n VAL 26 N 0.00 0.79 0.00 1.61 3.14 -1.26 -2.84 118.33 119.76 1d5g n VAL 26 Ca 0.00 0.27 0.00 0.00 -2.96 0.00 0.00 64.34 61.65 1d5g n VAL 26 Cb 0.00 -1.71 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1d5g n ASN 27 N -3.38 0.00 -3.71 6.55 0.23 -1.26 -4.11 115.26 109.58 1d5g n ASN 27 Ca -0.05 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.71 1d5g n ASN 27 Cb 0.17 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.74 1d5g n ASN 27 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1d5g s THR 28 N 0.65 1.34 0.00 5.53 -4.23 -1.26 -0.59 115.64 117.08 1d5g s THR 28 Ca 0.00 -2.42 0.00 0.00 -1.18 0.00 0.00 61.69 58.09 1d5g s THR 28 Cb 0.00 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1d5g s THR 28 CO 0.00 -0.87 0.00 -1.54 -0.54 0.00 0.00 174.62 171.67 1d5g n SER 29 N 3.69 0.00 0.28 3.99 3.41 -1.26 -4.99 113.62 118.74 1d5g n SER 29 Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1d5g n SER 29 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1d5g h VAL 30 N 0.00 0.21 -1.15 -3.33 3.04 -1.88 -3.47 116.25 109.67 1d5g h VAL 30 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1d5g h VAL 30 Cb 0.00 0.30 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 1d5g h VAL 30 CO 0.00 0.03 0.00 0.54 -1.01 0.00 0.00 177.57 177.13 1d5g n ARG 31 N -5.30 2.49 -2.70 4.17 5.12 -1.26 -5.04 116.66 114.14 1d5g n ARG 31 Ca -0.11 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.39 1d5g n ARG 31 Cb 0.33 0.00 -0.02 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 1.17 2.79 0.00 -1.55 -3.43 -1.26 -4.37 115.29 108.64 1d5g s HIS 32 Ca 0.00 -1.16 0.00 0.00 -0.80 0.00 0.00 55.06 53.10 1d5g s HIS 32 Cb 0.00 -4.55 0.00 0.00 -1.43 0.00 0.00 32.58 26.60 1d5g s HIS 32 CO 0.00 -1.76 0.00 0.41 -2.00 0.00 0.00 174.74 171.39 1d5g n GLY 33 N 6.16 -1.44 0.00 -1.38 0.00 0.24 -3.65 105.19 105.13 1d5g n GLY 33 Ca 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 2.19 3.18 -0.02 0.00 -1.26 -4.39 105.19 104.89 1d5g n GLY 34 Ca 0.00 -1.57 -0.28 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 -1.04 1.62 -0.00 -0.61 -1.09 -1.26 -4.06 121.20 114.76 1d5g s ILE 35 Ca 0.00 -0.83 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 1d5g s ILE 35 Cb 0.00 -1.37 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1d5g s ILE 35 CO 0.00 0.46 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.50 1d5g s TYR 36 N -0.13 1.73 0.15 3.97 5.04 -1.25 -3.51 117.35 123.35 1d5g s TYR 36 Ca -0.01 -0.34 -0.30 0.00 -2.44 0.00 0.00 57.07 53.98 1d5g s TYR 36 Cb -0.11 -1.10 -0.07 0.00 0.35 0.00 0.00 41.96 41.03 1d5g s TYR 36 CO 0.02 -0.00 1.07 0.08 -1.34 0.00 0.00 175.55 175.38 1d5g s VAL 37 N -0.53 4.05 -0.13 3.14 1.01 -0.89 -1.01 120.40 126.04 1d5g s VAL 37 Ca 0.07 1.72 -0.09 0.00 0.00 0.00 0.00 61.98 63.68 1d5g s VAL 37 Cb -0.08 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1d5g s VAL 37 CO -0.00 0.27 0.06 0.50 0.00 0.00 0.00 175.10 175.93 1d5g h LYS 38 N 5.39 0.00 -2.44 2.72 3.64 -0.96 -2.76 116.57 122.16 1d5g h LYS 38 Ca -0.44 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1d5g h LYS 38 Cb 1.21 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 1d5g h LYS 38 CO 0.73 0.22 0.44 0.00 -2.27 0.00 0.00 179.45 178.57 1d5g s ALA 39 N -2.55 -1.68 -0.22 5.00 0.00 -1.09 -4.55 121.76 116.68 1d5g s ALA 39 Ca -0.10 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1d5g s ALA 39 Cb 0.01 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1d5g s ALA 39 CO 0.21 -0.88 0.40 0.08 0.00 0.00 0.00 175.76 175.57 1d5g s VAL 40 N -3.32 5.18 -0.02 0.00 1.01 -1.26 -0.85 120.40 121.14 1d5g s VAL 40 Ca 0.08 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 1d5g s VAL 40 Cb -0.02 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1d5g s VAL 40 CO -0.03 0.22 0.84 -0.63 0.00 0.00 0.00 175.10 175.50 1d5g s ILE 41 N 1.53 4.93 -1.21 2.22 -1.09 -0.38 -4.95 121.20 122.26 1d5g s ILE 41 Ca 0.18 1.76 -0.21 0.00 -2.23 0.00 0.00 60.65 60.15 1d5g s ILE 41 Cb -0.15 -4.18 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1d5g s ILE 41 CO 0.08 0.22 1.86 -2.16 -1.23 0.00 0.00 174.94 173.71 1d5g s PRO 42 N 0.83 2.98 0.00 2.79 0.04 -1.26 -4.11 135.00 136.26 1d5g s PRO 42 Ca 0.45 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 60.09 1d5g s PRO 42 Cb -0.20 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1d5g s PRO 42 CO 0.23 -3.40 0.00 0.94 0.04 0.00 0.00 177.00 174.82 1d5g n GLN 43 N 8.35 0.00 0.00 4.56 -0.06 -1.26 -5.14 117.38 123.83 1d5g n GLN 43 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 1d5g n GLN 43 Cb 0.46 -0.46 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1d5g n GLY 44 N 1.21 4.22 0.33 1.69 0.00 -1.26 -4.71 105.19 106.67 1d5g n GLY 44 Ca 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.49 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 1.64 1.40 -0.34 4.61 0.00 -1.65 -0.21 119.26 124.72 1d5g h ALA 45 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1d5g h ALA 45 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1d5g h ALA 45 CO 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 179.25 179.35 1d5g h ALA 46 N 1.57 0.39 0.18 0.00 0.00 -1.40 -0.42 119.26 119.58 1d5g h ALA 46 Ca 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1d5g h ALA 46 Cb 0.67 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1d5g h ALA 46 CO -0.35 -0.27 -0.08 1.49 0.00 0.00 0.00 179.25 180.04 1d5g h GLU 47 N 0.27 -0.23 0.60 0.00 4.57 -1.71 -1.98 114.58 116.11 1d5g h GLU 47 Ca 0.15 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1d5g h GLU 47 Cb 0.12 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1d5g h GLU 47 CO -0.15 0.19 -0.29 1.03 -1.18 0.00 0.00 179.01 178.61 1d5g h SER 48 N -0.86 -0.68 -0.19 1.04 0.87 -0.94 -3.08 113.55 109.70 1d5g h SER 48 Ca -0.02 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.36 1d5g h SER 48 Cb 0.52 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1d5g h SER 48 CO 0.04 -0.48 -0.60 -0.78 -0.53 0.00 0.00 176.83 174.48 1d5g h ASP 49 N -0.82 0.90 -0.99 6.23 3.58 -1.29 -3.49 116.42 120.56 1d5g h ASP 49 Ca -0.08 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1d5g h ASP 49 Cb 0.62 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1d5g h ASP 49 CO 0.14 1.29 0.00 0.61 -2.88 0.00 0.00 179.24 178.40 1d5g n GLY 50 N 0.42 0.30 1.85 -0.78 0.00 -1.14 -5.08 105.19 100.76 1d5g n GLY 50 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.20 0.00 -4.68 1.61 3.00 -0.76 -5.05 116.66 110.58 1d5g n ARG 51 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 1d5g n ARG 51 Cb 0.04 -0.07 -0.16 0.00 0.00 0.00 0.00 32.46 32.26 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 1.23 0.46 5.15 1.09 -1.25 -5.08 121.20 120.79 1d5g s ILE 52 Ca 0.00 -0.58 0.04 0.00 -1.10 0.00 0.00 60.65 59.01 1d5g s ILE 52 Cb 0.00 -1.08 -0.05 0.00 -1.06 0.00 0.00 42.46 40.28 1d5g s ILE 52 CO 0.00 0.37 0.01 -1.00 -0.10 0.00 0.00 174.94 174.21 1d5g s HIS 53 N 0.26 2.18 -0.16 3.97 3.76 -1.26 -4.73 115.29 119.31 1d5g s HIS 53 Ca -0.07 -0.82 -0.31 0.00 -0.15 0.00 0.00 55.06 53.71 1d5g s HIS 53 Cb -0.12 -1.68 -0.08 0.00 1.11 0.00 0.00 32.58 31.80 1d5g s HIS 53 CO 0.02 0.33 2.10 1.17 -0.85 0.00 0.00 174.74 177.51 1d5g n LYS 54 N -1.11 2.06 -1.70 1.40 0.00 -1.26 -1.91 118.16 115.64 1d5g n LYS 54 Ca -0.12 0.66 -0.04 0.00 0.00 0.00 0.00 58.31 58.81 1d5g n LYS 54 Cb 0.67 -2.95 -0.01 0.00 0.00 0.00 0.00 35.03 32.74 1d5g n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d5g n GLY 55 N 5.36 0.40 3.87 3.14 0.00 -1.04 -4.85 105.19 112.07 1d5g n GLY 55 Ca 0.28 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.87 6.26 -0.09 1.61 1.01 -0.80 -3.92 116.67 117.86 1d5g s ASP 56 Ca 0.00 1.37 0.03 0.00 0.71 0.00 0.00 52.55 54.66 1d5g s ASP 56 Cb 0.00 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.49 1d5g s ASP 56 CO 0.00 -0.81 -0.18 -0.60 0.21 0.00 0.00 175.17 173.79 1d5g s ARG 57 N -5.04 2.41 0.54 8.23 3.52 -0.43 -2.09 118.95 126.08 1d5g s ARG 57 Ca 0.54 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 55.47 1d5g s ARG 57 Cb -0.11 -1.91 0.01 0.00 -1.56 0.00 0.00 34.95 31.39 1d5g s ARG 57 CO 0.51 0.07 0.79 0.14 -0.81 0.00 0.00 175.30 176.01 1d5g s VAL 58 N 0.60 3.47 0.00 7.11 -7.23 -1.23 -0.14 120.40 122.98 1d5g s VAL 58 Ca -0.15 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1d5g s VAL 58 Cb -0.17 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1d5g s VAL 58 CO 0.05 -0.28 0.00 0.18 -0.31 0.00 0.00 175.10 174.74 1d5g n LEU 59 N -2.36 0.00 -4.89 1.32 4.77 0.41 -4.60 117.00 111.65 1d5g n LEU 59 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 1d5g n LEU 59 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1d5g n LEU 59 CO 0.49 0.00 -0.14 0.00 -1.33 0.00 0.00 177.39 176.41 1d5g s ALA 60 N -2.00 3.91 -0.34 -1.18 0.00 -1.19 -4.50 121.76 116.46 1d5g s ALA 60 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1d5g s ALA 60 Cb 0.00 -1.95 0.08 0.00 0.00 0.00 0.00 23.12 21.26 1d5g s ALA 60 CO 0.00 0.69 0.05 0.54 0.00 0.00 0.00 175.76 177.05 1d5g s VAL 61 N -1.24 2.72 -1.24 0.00 0.11 -0.25 -0.98 120.40 119.52 1d5g s VAL 61 Ca 0.24 -1.92 -0.01 0.00 -2.93 0.00 0.00 61.98 57.37 1d5g s VAL 61 Cb -0.13 -2.79 -0.00 0.00 -1.53 0.00 0.00 36.38 31.93 1d5g s VAL 61 CO 0.14 -0.41 0.87 -3.20 -3.33 0.00 0.00 175.10 169.17 1d5g n ASN 62 N 4.47 -1.91 0.00 3.54 4.05 0.23 -1.77 115.26 123.87 1d5g n ASN 62 Ca -0.05 -0.71 0.00 0.00 0.45 0.00 0.00 54.58 54.27 1d5g n ASN 62 Cb 0.42 -4.67 0.00 0.00 1.23 0.00 0.00 39.78 36.76 1d5g n ASN 62 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1d5g n GLY 63 N -1.32 2.94 3.49 8.20 0.00 -1.26 -4.98 105.19 112.25 1d5g n GLY 63 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1d5g n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 64 N -1.42 4.18 -0.08 1.61 1.01 -0.73 -5.00 120.40 119.97 1d5g s VAL 64 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1d5g s VAL 64 Cb 0.00 -4.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1d5g s VAL 64 CO 0.00 -1.48 1.04 -0.94 0.00 0.00 0.00 175.10 173.71 1d5g s SER 65 N 3.51 7.23 -0.78 3.32 1.04 -1.26 -1.10 113.70 125.66 1d5g s SER 65 Ca 0.27 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.31 1d5g s SER 65 Cb -0.14 -2.56 0.35 0.00 0.10 0.00 0.00 66.02 63.77 1d5g s SER 65 CO 0.13 -0.45 1.54 0.00 0.98 0.00 0.00 173.24 175.45 1d5g n LEU 66 N 4.91 6.27 -4.74 2.42 -0.00 -1.26 -5.03 117.00 119.56 1d5g n LEU 66 Ca 0.09 -5.30 -0.41 0.00 -0.00 0.00 0.00 56.01 50.38 1d5g n LEU 66 Cb 0.49 -0.88 -0.03 0.00 -0.00 0.00 0.00 43.42 43.00 1d5g n LEU 66 CO 0.53 2.09 1.07 -1.83 -0.00 0.00 0.00 177.39 179.25 1d5g s GLU 67 N -3.94 4.30 0.00 1.47 -1.05 -1.26 -2.94 118.70 115.29 1d5g s GLU 67 Ca 0.46 2.21 0.00 0.00 -0.15 0.00 0.00 54.97 57.49 1d5g s GLU 67 Cb 0.31 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1d5g s GLU 67 CO -0.21 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.02 1d5g n GLY 68 N 2.49 0.84 3.82 -3.83 0.00 -1.24 -5.02 105.19 102.25 1d5g n GLY 68 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.36 2.81 0.76 4.61 0.00 -1.15 -4.83 121.76 120.61 1d5g s ALA 69 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1d5g s ALA 69 Cb 0.00 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1d5g s ALA 69 CO 0.00 -0.76 1.07 0.95 0.00 0.00 0.00 175.76 177.02 1d5g s THR 70 N -2.62 2.18 0.14 0.00 -4.23 -1.26 -4.54 115.64 105.32 1d5g s THR 70 Ca 0.61 -0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.60 1d5g s THR 70 Cb -0.14 -2.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1d5g s THR 70 CO 0.40 0.00 1.78 -0.74 -0.54 0.00 0.00 174.62 175.52 1d5g h HIS 71 N -0.78 0.45 -0.26 3.99 2.76 -1.74 -1.49 115.15 118.07 1d5g h HIS 71 Ca -0.41 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 57.63 1d5g h HIS 71 Cb 1.28 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.08 1d5g h HIS 71 CO -0.24 0.31 -0.37 -0.22 -1.30 0.00 0.00 177.93 176.11 1d5g h LYS 72 N 0.46 0.60 -0.12 5.26 1.63 -1.95 -2.59 116.57 119.87 1d5g h LYS 72 Ca 0.13 -0.29 -0.14 0.00 -0.85 0.00 0.00 60.65 59.49 1d5g h LYS 72 Cb -0.02 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1d5g h LYS 72 CO -0.03 0.88 -0.55 0.37 -3.45 0.00 0.00 179.45 176.67 1d5g h GLN 73 N 0.50 0.35 0.26 1.90 5.75 -1.83 0.96 115.11 123.00 1d5g h GLN 73 Ca 0.05 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1d5g h GLN 73 Cb 0.87 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.45 1d5g h GLN 73 CO 0.07 0.81 -0.12 0.00 -2.65 0.00 0.00 178.83 176.94 1d5g h ALA 74 N 1.15 -0.34 0.00 3.38 0.00 -1.29 -2.46 119.26 119.70 1d5g h ALA 74 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1d5g h ALA 74 Cb 1.05 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1d5g h ALA 74 CO 0.09 -0.60 0.00 -0.39 0.00 0.00 0.00 179.25 178.35 1d5g h VAL 75 N -0.52 0.00 -0.46 0.00 -1.51 -1.29 -1.76 116.25 110.71 1d5g h VAL 75 Ca -0.04 -0.75 -0.08 0.00 -1.23 0.00 0.00 66.70 64.61 1d5g h VAL 75 Cb 0.39 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1d5g h VAL 75 CO 0.06 0.00 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.30 1d5g h GLU 76 N 0.00 0.82 0.00 5.19 4.81 -0.86 -1.50 114.58 123.03 1d5g h GLU 76 Ca 0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1d5g h GLU 76 Cb 0.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1d5g h GLU 76 CO 0.00 0.88 -0.19 1.15 -0.73 0.00 0.00 179.01 180.12 1d5g h THR 77 N 0.66 1.13 0.11 0.32 2.02 -0.90 -0.22 112.91 116.03 1d5g h THR 77 Ca 0.13 -0.67 -0.28 0.00 0.77 0.00 0.00 66.41 66.36 1d5g h THR 77 Cb 0.52 1.36 0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1d5g h THR 77 CO 0.03 0.19 -1.19 -0.07 0.37 0.00 0.00 175.52 174.85 1d5g h LEU 78 N 0.00 0.65 -0.56 2.58 3.38 -1.23 -3.32 115.31 116.80 1d5g h LEU 78 Ca -0.00 -0.61 -0.14 0.00 0.09 0.00 0.00 57.88 57.22 1d5g h LEU 78 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1d5g h LEU 78 CO 0.03 1.44 -0.34 0.03 0.09 0.00 0.00 178.44 179.68 1d5g h ARG 79 N 0.19 0.78 -2.60 1.13 3.08 -0.73 -3.23 114.38 112.99 1d5g h ARG 79 Ca -0.15 -0.38 -0.45 0.00 0.07 0.00 0.00 59.98 59.08 1d5g h ARG 79 Cb 1.87 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 1d5g h ARG 79 CO 0.21 1.00 2.00 0.27 -1.07 0.00 0.00 179.97 182.38 1d5g n ASN 80 N -4.06 7.02 0.00 7.04 2.04 -0.14 -4.00 115.26 123.16 1d5g n ASN 80 Ca -0.01 -2.51 0.00 0.00 -0.44 0.00 0.00 54.58 51.62 1d5g n ASN 80 Cb 0.50 -1.46 0.00 0.00 -2.53 0.00 0.00 39.78 36.29 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 3.15 0.00 0.00 5.53 -2.24 -1.22 -4.96 114.28 114.53 1d5g n THR 81 Ca 0.61 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.53 1d5g n THR 81 Cb 0.51 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.47 1.01 0.08 3.38 0.00 -1.26 -4.72 105.19 106.15 1d5g n GLY 82 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 0.08 -5.79 1.61 4.15 -1.98 -3.44 115.11 109.73 1d5g h GLN 83 Ca 0.00 -0.13 -0.67 0.00 0.77 0.00 0.00 58.65 58.62 1d5g h GLN 83 Cb 0.00 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 27.60 1d5g h GLN 83 CO 0.00 0.99 -0.59 0.54 -1.93 0.00 0.00 178.83 177.85 1d5g s VAL 84 N -2.68 4.61 -0.64 2.39 0.11 -1.26 -0.43 120.40 122.50 1d5g s VAL 84 Ca -0.02 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.95 1d5g s VAL 84 Cb 0.09 -2.97 0.17 0.00 -1.53 0.00 0.00 36.38 32.13 1d5g s VAL 84 CO 0.84 0.59 0.46 -0.69 -3.33 0.00 0.00 175.10 172.96 1d5g s VAL 85 N -0.72 2.33 -0.27 2.04 1.01 -0.13 -4.88 120.40 119.78 1d5g s VAL 85 Ca 0.12 -3.92 0.02 0.00 0.00 0.00 0.00 61.98 58.19 1d5g s VAL 85 Cb -0.12 -2.54 0.06 0.00 0.00 0.00 0.00 36.38 33.78 1d5g s VAL 85 CO 0.02 -1.06 -0.08 -2.28 0.00 0.00 0.00 175.10 171.71 1d5g s HIS 86 N -1.13 3.29 0.24 5.22 5.04 -1.26 -1.88 115.29 124.81 1d5g s HIS 86 Ca 0.27 -2.25 -0.10 0.00 -1.54 0.00 0.00 55.06 51.43 1d5g s HIS 86 Cb -0.03 -2.01 -0.01 0.00 0.04 0.00 0.00 32.58 30.57 1d5g s HIS 86 CO -0.17 -0.87 0.40 -0.48 -2.34 0.00 0.00 174.74 171.28 1d5g s LEU 87 N 1.13 0.51 -0.15 8.88 2.34 -1.18 -0.60 118.68 129.61 1d5g s LEU 87 Ca -0.07 -1.03 0.01 0.00 0.06 0.00 0.00 54.13 53.09 1d5g s LEU 87 Cb -0.20 1.45 0.02 0.00 -0.56 0.00 0.00 46.19 46.90 1d5g s LEU 87 CO -0.04 -1.07 -0.17 -0.22 -1.06 0.00 0.00 176.35 173.79 1d5g s LEU 88 N -3.05 1.87 0.29 1.48 2.96 -0.15 -2.16 118.68 119.91 1d5g s LEU 88 Ca 0.26 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1d5g s LEU 88 Cb 0.01 -1.28 -0.06 0.00 0.50 0.00 0.00 46.19 45.36 1d5g s LEU 88 CO 0.10 -0.01 0.08 -0.76 -1.32 0.00 0.00 176.35 174.44 1d5g s LEU 89 N 1.26 1.86 -0.03 -0.68 1.02 -0.41 -0.45 118.68 121.26 1d5g s LEU 89 Ca 0.01 -1.38 0.03 0.00 0.02 0.00 0.00 54.13 52.82 1d5g s LEU 89 Cb -0.14 -0.15 0.00 0.00 0.02 0.00 0.00 46.19 45.93 1d5g s LEU 89 CO -0.09 -0.68 -0.12 -0.70 0.02 0.00 0.00 176.35 174.79 1d5g s GLU 90 N -3.97 1.22 0.17 1.70 2.12 0.80 -1.13 118.70 119.60 1d5g s GLU 90 Ca 0.37 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.00 1d5g s GLU 90 Cb 0.08 -1.10 -0.07 0.00 0.26 0.00 0.00 34.13 33.29 1d5g s GLU 90 CO 0.14 0.16 1.10 0.21 -0.54 0.00 0.00 175.26 176.33 1d5g s LYS 91 N 0.14 4.58 0.00 4.30 2.47 0.02 -1.31 119.74 129.94 1d5g s LYS 91 Ca -0.03 1.71 0.00 0.00 -1.56 0.00 0.00 55.97 56.09 1d5g s LYS 91 Cb -0.09 -3.29 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 1d5g s LYS 91 CO 0.01 0.05 0.00 0.41 0.16 0.00 0.00 175.35 175.98 1d5g n GLY 92 N 2.14 0.91 3.81 5.54 0.00 -1.25 -4.28 105.19 112.05 1d5g n GLY 92 Ca 0.03 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 0.57 3.50 0.80 1.61 -0.21 -1.26 -4.49 119.66 120.17 1d5g s GLN 93 Ca 0.00 1.20 -0.11 0.00 0.02 0.00 0.00 55.36 56.47 1d5g s GLN 93 Cb 0.00 -2.06 0.07 0.00 1.00 0.00 0.00 33.01 32.02 1d5g s GLN 93 CO 0.00 -0.67 1.09 -1.12 -2.12 0.00 0.00 175.29 172.47 1d5g s SER 94 N -2.67 4.37 0.29 5.90 0.01 -1.26 -4.93 113.70 115.42 1d5g s SER 94 Ca 0.64 1.64 -0.29 0.00 1.31 0.00 0.00 55.95 59.24 1d5g s SER 94 Cb -0.15 -2.36 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 1d5g s SER 94 CO 0.33 -2.09 1.28 -2.84 0.41 0.00 0.00 173.24 170.33 1d5g s PRO 95 N -4.97 4.40 0.00 12.44 0.02 -1.26 -5.21 135.00 140.42 1d5g s PRO 95 Ca 0.61 2.12 0.15 0.00 0.02 0.00 0.00 61.00 63.90 1d5g s PRO 95 Cb -0.16 -3.12 0.12 0.00 0.02 0.00 0.00 34.50 31.35 1d5g s PRO 95 CO 0.56 -0.15 0.97 0.25 -0.33 0.00 0.00 177.00 178.29