#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 1.90 0.34 -0.52 -2.85 -1.26 -4.99 119.74 112.36 1d5g s LYS 2 Ca 0.00 -0.09 0.07 0.00 -1.00 0.00 0.00 55.97 54.95 1d5g s LYS 2 Cb 0.00 -2.02 0.62 0.00 -2.06 0.00 0.00 37.83 34.36 1d5g s LYS 2 CO 0.00 -1.56 1.82 -1.35 0.10 0.00 0.00 175.35 174.36 1d5g h PRO 3 N -0.95 0.29 -3.35 1.78 0.11 -1.98 -3.19 132.00 124.71 1d5g h PRO 3 Ca -0.45 -0.09 -0.79 0.00 0.11 0.00 0.00 66.00 64.78 1d5g h PRO 3 Cb 1.31 -0.03 -0.23 0.00 0.11 0.00 0.00 31.00 32.16 1d5g h PRO 3 CO 0.61 0.51 1.14 0.41 -0.21 0.00 0.00 178.00 180.46 1d5g n GLY 4 N -0.60 4.75 3.88 -0.55 0.00 -1.26 -4.96 105.19 106.44 1d5g n GLY 4 Ca -0.01 -2.43 -0.30 0.00 0.00 0.00 0.00 46.02 43.28 1d5g n GLY 4 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d5g s ASP 5 N -0.14 6.27 0.11 1.61 -4.77 -1.21 -4.09 116.67 114.44 1d5g s ASP 5 Ca 0.35 1.32 -0.28 0.00 -3.30 0.00 0.00 52.55 50.64 1d5g s ASP 5 Cb 0.03 -2.42 -0.06 0.00 -1.09 0.00 0.00 42.92 39.38 1d5g s ASP 5 CO 0.04 -0.78 0.88 -0.63 0.70 0.00 0.00 175.17 175.38 1d5g s ILE 6 N -3.04 4.51 0.03 2.11 1.09 -1.26 -2.00 121.20 122.64 1d5g s ILE 6 Ca 0.54 1.90 0.01 0.00 -1.10 0.00 0.00 60.65 62.00 1d5g s ILE 6 Cb -0.11 -4.24 -0.02 0.00 -1.06 0.00 0.00 42.46 37.03 1d5g s ILE 6 CO 0.50 0.37 -0.05 0.72 -0.10 0.00 0.00 174.94 176.39 1d5g s PHE 7 N -0.26 0.42 -0.24 3.97 -0.71 0.75 -4.98 117.98 116.93 1d5g s PHE 7 Ca 0.43 -0.55 0.01 0.00 -1.04 0.00 0.00 56.93 55.78 1d5g s PHE 7 Cb -0.23 -0.28 0.04 0.00 -1.21 0.00 0.00 43.02 41.35 1d5g s PHE 7 CO 0.28 -0.16 -0.11 -1.83 -1.34 0.00 0.00 175.22 172.06 1d5g s GLU 8 N -1.64 2.58 0.01 1.99 -1.05 -1.26 -1.35 118.70 117.97 1d5g s GLU 8 Ca -0.12 -1.13 -0.01 0.00 -0.15 0.00 0.00 54.97 53.56 1d5g s GLU 8 Cb -0.09 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.70 1d5g s GLU 8 CO -0.01 -0.45 0.14 0.14 0.95 0.00 0.00 175.26 176.03 1d5g s VAL 9 N 1.21 5.08 -0.06 1.83 -7.23 -0.34 -4.98 120.40 115.91 1d5g s VAL 9 Ca -0.03 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.85 1d5g s VAL 9 Cb -0.17 -3.38 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 1d5g s VAL 9 CO -0.06 0.29 -0.24 -1.61 -0.31 0.00 0.00 175.10 173.16 1d5g s GLU 10 N -1.99 2.55 0.05 4.82 8.01 -1.26 -1.97 118.70 128.91 1d5g s GLU 10 Ca 0.27 -0.87 0.05 0.00 0.01 0.00 0.00 54.97 54.43 1d5g s GLU 10 Cb -0.12 -2.11 -0.03 0.00 -4.31 0.00 0.00 34.13 27.56 1d5g s GLU 10 CO 0.19 0.33 -0.13 -0.51 0.01 0.00 0.00 175.26 175.14 1d5g s LEU 11 N -0.05 2.23 -0.03 1.80 1.43 0.01 -5.01 118.68 119.05 1d5g s LEU 11 Ca -0.06 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1d5g s LEU 11 Cb -0.14 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.56 1d5g s LEU 11 CO 0.04 -0.04 -0.09 0.00 0.23 0.00 0.00 176.35 176.50 1d5g s ALA 12 N -1.08 0.89 -0.09 4.21 0.00 -1.26 -0.03 121.76 124.40 1d5g s ALA 12 Ca -0.01 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 1d5g s ALA 12 Cb -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1d5g s ALA 12 CO 0.02 0.14 1.68 0.21 0.00 0.00 0.00 175.76 177.80 1d5g s LYS 13 N 0.24 4.06 0.00 0.00 2.20 -0.88 -4.89 119.74 120.47 1d5g s LYS 13 Ca -0.04 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 1d5g s LYS 13 Cb -0.09 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1d5g s LYS 13 CO 0.01 -0.99 0.00 0.27 -0.36 0.00 0.00 175.35 174.28 1d5g n ASN 14 N 7.58 0.00 0.05 1.43 0.23 -1.26 -4.92 115.26 118.38 1d5g n ASN 14 Ca 0.18 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 54.03 1d5g n ASN 14 Cb 0.43 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.70 -1.62 0.53 3.32 -2.03 -3.48 116.42 113.85 1d5g h ASP 15 Ca 0.00 -0.82 -0.02 0.00 0.02 0.00 0.00 57.03 56.21 1d5g h ASP 15 Cb 0.00 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1d5g h ASP 15 CO 0.00 1.44 0.03 -0.46 -1.72 0.00 0.00 179.24 178.53 1d5g n ASN 16 N -4.00 -0.42 0.00 6.45 6.94 -1.26 -5.04 115.26 117.94 1d5g n ASN 16 Ca -0.12 -1.35 0.00 0.00 -0.02 0.00 0.00 54.58 53.09 1d5g n ASN 16 Cb 0.85 0.71 0.00 0.00 -2.36 0.00 0.00 39.78 38.98 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1d5g n SER 17 N -1.40 0.00 0.00 0.53 7.64 -1.26 -4.53 113.62 114.60 1d5g n SER 17 Ca -0.01 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1d5g n SER 17 Cb 0.12 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 1d5g n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1d5g n LEU 18 N -1.86 0.00 -0.02 -3.43 4.32 -1.26 -4.65 117.00 110.11 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 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 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 3.30 0.59 3.18 -0.72 0.00 -1.26 -1.31 105.19 108.97 1d5g n GLY 19 Ca 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.24 0.14 0.11 -0.61 2.07 -1.26 -2.14 121.20 118.27 1d5g s ILE 20 Ca 0.00 -1.15 0.10 0.00 -1.41 0.00 0.00 60.65 58.18 1d5g s ILE 20 Cb 0.00 -1.19 -0.04 0.00 0.13 0.00 0.00 42.46 41.36 1d5g s ILE 20 CO 0.00 -0.64 -0.25 -0.94 -1.91 0.00 0.00 174.94 171.21 1d5g s SER 21 N -2.58 2.99 0.29 4.50 1.04 -0.20 -4.90 113.70 114.83 1d5g s SER 21 Ca 0.01 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1d5g s SER 21 Cb 0.03 -0.19 -0.06 0.00 0.10 0.00 0.00 66.02 65.90 1d5g s SER 21 CO -0.08 0.14 -0.08 -0.69 0.98 0.00 0.00 173.24 173.50 1d5g s VAL 22 N -1.07 1.82 0.04 5.02 1.01 -1.26 -0.96 120.40 125.01 1d5g s VAL 22 Ca 0.11 -2.17 0.01 0.00 0.00 0.00 0.00 61.98 59.93 1d5g s VAL 22 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 1d5g s VAL 22 CO 0.05 -0.31 -0.06 0.28 0.00 0.00 0.00 175.10 175.06 1d5g s THR 23 N -2.90 0.38 0.00 3.92 -1.32 -0.30 -4.58 115.64 110.85 1d5g s THR 23 Ca 0.29 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 1d5g s THR 23 Cb 0.02 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1d5g s THR 23 CO 0.13 -0.53 0.00 0.61 -2.21 0.00 0.00 174.62 172.61 1d5g n GLY 24 N 1.22 0.44 2.06 6.08 0.00 -1.26 -2.20 105.19 111.53 1d5g n GLY 24 Ca -0.21 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 1.38 3.97 -0.02 0.00 0.09 -4.89 105.19 105.72 1d5g n GLY 25 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1d5g n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 26 N -3.06 4.81 0.15 1.61 1.01 -1.26 -0.93 120.40 122.73 1d5g s VAL 26 Ca 0.00 -1.01 0.35 0.00 0.00 0.00 0.00 61.98 61.31 1d5g s VAL 26 Cb 0.00 -3.68 0.39 0.00 0.00 0.00 0.00 36.38 33.08 1d5g s VAL 26 CO 0.00 -0.27 2.03 -0.55 0.00 0.00 0.00 175.10 176.30 1d5g h ASN 27 N 1.09 0.00 -3.36 3.32 7.08 -1.90 -2.91 115.58 118.91 1d5g h ASN 27 Ca -0.50 0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.23 1d5g h ASN 27 Cb 1.24 0.00 -0.35 0.00 -2.08 0.00 0.00 38.32 37.13 1d5g h ASN 27 CO 0.58 0.00 -0.80 0.28 -2.08 0.00 0.00 177.43 175.41 1d5g s THR 28 N -3.72 0.96 0.00 6.14 -1.32 -1.26 -3.64 115.64 112.80 1d5g s THR 28 Ca 0.00 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 1d5g s THR 28 Cb 0.10 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.16 1d5g s THR 28 CO 0.50 0.33 0.00 -1.54 -2.21 0.00 0.00 174.62 171.70 1d5g n SER 29 N 4.20 0.00 0.02 8.08 3.41 -1.20 -4.87 113.62 123.25 1d5g n SER 29 Ca -0.20 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.22 1d5g n SER 29 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.34 -0.21 -3.33 3.04 -1.83 -3.47 116.25 111.79 1d5g h VAL 30 Ca 0.00 -2.12 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 1d5g h VAL 30 Cb 0.00 2.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1d5g h VAL 30 CO 0.00 0.64 0.00 0.54 -1.01 0.00 0.00 177.57 177.74 1d5g n ARG 31 N -4.04 1.43 -1.15 4.17 5.12 -1.26 -4.99 116.66 115.95 1d5g n ARG 31 Ca -0.10 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.55 1d5g n ARG 31 Cb 0.77 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.98 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1d5g n HIS 32 N 0.00 1.33 0.00 -1.55 1.44 -1.26 -4.34 115.22 110.83 1d5g n HIS 32 Ca 0.00 -2.35 0.00 0.00 -2.01 0.00 0.00 57.72 53.36 1d5g n HIS 32 Cb 0.00 -2.07 0.00 0.00 0.12 0.00 0.00 29.99 28.04 1d5g n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1d5g n GLY 33 N 3.12 0.55 0.00 -1.39 0.00 -1.10 -4.29 105.19 102.07 1d5g n GLY 33 Ca 0.62 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 1.58 3.11 -0.02 0.00 -1.26 -3.72 105.19 104.88 1d5g n GLY 34 Ca 0.00 -1.69 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.26 1.44 -0.01 -0.61 -1.09 -1.26 -0.73 121.20 116.67 1d5g s ILE 35 Ca 0.00 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 57.79 1d5g s ILE 35 Cb 0.00 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.61 1d5g s ILE 35 CO 0.00 0.42 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.47 1d5g s TYR 36 N 0.29 1.69 -0.04 3.97 5.04 -0.93 -2.81 117.35 124.55 1d5g s TYR 36 Ca -0.10 -0.32 -0.30 0.00 -2.44 0.00 0.00 57.07 53.91 1d5g s TYR 36 Cb -0.14 -1.08 -0.03 0.00 0.35 0.00 0.00 41.96 41.07 1d5g s TYR 36 CO 0.04 -0.02 1.03 0.08 -1.34 0.00 0.00 175.55 175.34 1d5g s VAL 37 N -0.47 4.69 -0.11 3.14 1.01 -0.73 -1.14 120.40 126.78 1d5g s VAL 37 Ca 0.07 1.95 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 1d5g s VAL 37 Cb -0.07 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1d5g s VAL 37 CO -0.00 0.08 -0.14 1.17 0.00 0.00 0.00 175.10 176.20 1d5g n LYS 38 N 4.49 0.35 -3.46 2.72 4.81 -0.13 -0.58 118.16 126.35 1d5g n LYS 38 Ca 0.08 0.47 -0.13 0.00 -0.87 0.00 0.00 58.31 57.85 1d5g n LYS 38 Cb 0.49 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 34.03 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 -2.79 -1.68 -0.06 3.14 0.00 -1.13 -4.40 121.76 114.85 1d5g s ALA 39 Ca -0.11 0.80 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 1d5g s ALA 39 Cb 0.02 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1d5g s ALA 39 CO 0.17 -0.64 0.51 0.08 0.00 0.00 0.00 175.76 175.88 1d5g s VAL 40 N -2.90 5.06 -0.08 0.00 1.01 -1.26 -1.04 120.40 121.20 1d5g s VAL 40 Ca -0.02 1.04 -0.27 0.00 0.00 0.00 0.00 61.98 62.73 1d5g s VAL 40 Cb -0.01 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1d5g s VAL 40 CO -0.06 0.40 0.86 -0.63 0.00 0.00 0.00 175.10 175.67 1d5g s ILE 41 N 0.05 4.91 -0.01 2.22 -1.09 -0.91 -4.94 121.20 121.44 1d5g s ILE 41 Ca 0.27 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 60.44 1d5g s ILE 41 Cb -0.16 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1d5g s ILE 41 CO 0.13 0.13 2.29 -0.81 -1.23 0.00 0.00 174.94 175.45 1d5g n PRO 42 N 4.38 1.21 -2.79 2.79 -0.04 -1.26 -3.46 135.00 135.82 1d5g n PRO 42 Ca 0.04 -0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 1d5g n PRO 42 Cb 0.50 -1.20 0.04 0.00 -0.04 0.00 0.00 33.50 32.80 1d5g n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1d5g n GLN 43 N 1.64 1.10 -3.59 0.54 6.02 -1.26 -5.08 117.38 116.75 1d5g n GLN 43 Ca 0.09 -2.89 -0.04 0.00 -0.01 0.00 0.00 57.00 54.14 1d5g n GLN 43 Cb 0.58 -1.10 -0.02 0.00 1.02 0.00 0.00 30.24 30.72 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1d5g s GLY 44 N -2.43 -0.35 0.46 1.08 0.00 -1.22 -4.89 107.32 99.96 1d5g s GLY 44 Ca 0.29 1.27 0.16 0.00 0.00 0.00 0.00 44.72 46.44 1d5g s GLY 44 CO -0.02 0.41 2.01 0.00 0.00 0.00 0.00 173.10 175.50 1d5g h ALA 45 N 2.00 2.08 -0.92 3.20 0.00 -1.79 -1.97 119.26 121.86 1d5g h ALA 45 Ca -0.16 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.87 1d5g h ALA 45 Cb 1.19 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1d5g h ALA 45 CO 0.25 -0.20 0.59 0.00 0.00 0.00 0.00 179.25 179.90 1d5g h ALA 46 N 1.75 1.70 0.18 0.00 0.00 -1.45 0.69 119.26 122.12 1d5g h ALA 46 Ca 0.23 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.84 1d5g h ALA 46 Cb 0.52 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1d5g h ALA 46 CO -0.05 0.07 -1.34 1.49 0.00 0.00 0.00 179.25 179.42 1d5g h GLU 47 N 0.82 0.54 -0.28 0.00 4.57 -1.61 -2.38 114.58 116.26 1d5g h GLU 47 Ca 0.45 -0.82 0.03 0.00 -1.18 0.00 0.00 59.36 57.84 1d5g h GLU 47 Cb 0.58 0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 29.43 1d5g h GLU 47 CO -0.22 1.38 0.09 0.77 -1.18 0.00 0.00 179.01 179.86 1d5g h SER 48 N 0.20 0.09 0.13 1.04 0.02 -0.99 -3.30 113.55 110.74 1d5g h SER 48 Ca -0.21 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1d5g h SER 48 Cb 2.03 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.59 1d5g h SER 48 CO 0.25 0.09 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.18 1d5g h ASP 49 N 0.21 -0.15 -3.16 3.07 3.58 -1.01 -3.51 116.42 115.46 1d5g h ASP 49 Ca 0.12 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1d5g h ASP 49 Cb 0.10 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1d5g h ASP 49 CO -0.13 0.04 -0.03 0.61 -2.88 0.00 0.00 179.24 176.85 1d5g n GLY 50 N 0.94 -0.70 0.00 -0.78 0.00 -0.89 -5.04 105.19 98.71 1d5g n GLY 50 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.53 0.22 -4.88 1.61 0.63 -1.26 -5.07 116.66 107.37 1d5g n ARG 51 Ca 0.01 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.68 1d5g n ARG 51 Cb 0.07 -0.53 -0.16 0.00 0.45 0.00 0.00 32.46 32.29 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1d5g s ILE 52 N -1.06 1.46 0.13 5.15 1.01 -1.26 -5.14 121.20 121.50 1d5g s ILE 52 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.91 1d5g s ILE 52 Cb 0.00 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1d5g s ILE 52 CO 0.00 0.42 0.11 0.00 0.00 0.00 0.00 174.94 175.47 1d5g n HIS 53 N 2.77 -0.33 -1.71 3.97 1.44 -1.26 -4.97 115.22 115.13 1d5g n HIS 53 Ca -0.16 -1.12 -0.43 0.00 -2.01 0.00 0.00 57.72 54.00 1d5g n HIS 53 Cb 0.53 0.12 -0.02 0.00 0.12 0.00 0.00 29.99 30.74 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 -0.25 2.42 -1.01 -1.40 2.85 -1.26 -2.88 118.16 116.62 1d5g n LYS 54 Ca 0.03 0.86 -0.00 0.00 -1.05 0.00 0.00 58.31 58.15 1d5g n LYS 54 Cb 0.24 -2.59 -0.00 0.00 -0.65 0.00 0.00 35.03 32.03 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 2.23 0.44 3.82 2.58 0.00 0.25 -4.87 105.19 109.65 1d5g n GLY 55 Ca 0.10 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.12 6.10 -0.19 1.61 1.01 -1.14 -3.95 116.67 117.99 1d5g s ASP 56 Ca 0.00 1.72 0.01 0.00 0.71 0.00 0.00 52.55 54.99 1d5g s ASP 56 Cb 0.00 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.45 1d5g s ASP 56 CO 0.00 -0.95 -0.11 -0.60 0.21 0.00 0.00 175.17 173.73 1d5g s ARG 57 N -4.09 2.05 0.23 8.23 3.00 -0.29 -1.77 118.95 126.30 1d5g s ARG 57 Ca 0.62 -0.81 -0.03 0.00 -1.00 0.00 0.00 55.73 54.51 1d5g s ARG 57 Cb -0.14 -2.38 -0.05 0.00 0.00 0.00 0.00 34.95 32.39 1d5g s ARG 57 CO 0.35 -0.41 0.46 0.14 0.00 0.00 0.00 175.30 175.84 1d5g s VAL 58 N 1.41 5.13 0.00 7.11 -7.23 -1.12 -0.00 120.40 125.69 1d5g s VAL 58 Ca -0.01 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1d5g s VAL 58 Cb -0.16 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.06 1d5g s VAL 58 CO -0.08 -0.21 0.00 0.18 -0.31 0.00 0.00 175.10 174.68 1d5g n LEU 59 N -0.69 0.00 -4.88 1.32 4.77 -0.30 -4.59 117.00 112.64 1d5g n LEU 59 Ca -0.03 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.59 1d5g n LEU 59 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1d5g n LEU 59 CO 0.48 0.00 -0.12 0.00 -1.33 0.00 0.00 177.39 176.42 1d5g s ALA 60 N -2.00 3.86 -0.54 -1.18 0.00 -0.92 -4.69 121.76 116.29 1d5g s ALA 60 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1d5g s ALA 60 Cb 0.00 -2.02 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1d5g s ALA 60 CO 0.00 0.62 0.63 0.08 0.00 0.00 0.00 175.76 177.09 1d5g s VAL 61 N -1.12 4.91 -1.37 0.00 1.01 -0.46 -1.62 120.40 121.75 1d5g s VAL 61 Ca 0.20 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 1d5g s VAL 61 Cb -0.13 -4.37 0.03 0.00 0.00 0.00 0.00 36.38 31.91 1d5g s VAL 61 CO 0.09 -0.93 1.07 -3.20 0.00 0.00 0.00 175.10 172.13 1d5g n ASN 62 N 6.09 -4.92 0.00 3.32 5.15 -0.80 -2.28 115.26 121.82 1d5g n ASN 62 Ca -0.09 -0.63 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1d5g n ASN 62 Cb 0.43 -4.70 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 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 -1.77 3.13 3.55 8.20 0.00 -1.26 -5.03 105.19 112.01 1d5g n GLY 63 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.95 4.88 -0.43 1.61 1.01 -0.97 -4.94 120.40 118.61 1d5g s VAL 64 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 1d5g s VAL 64 Cb 0.00 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1d5g s VAL 64 CO 0.00 -0.39 1.08 -0.44 0.00 0.00 0.00 175.10 175.35 1d5g s SER 65 N 1.86 6.68 -0.72 3.32 0.01 -1.26 -1.35 113.70 122.24 1d5g s SER 65 Ca 0.23 0.55 0.02 0.00 1.31 0.00 0.00 55.95 58.07 1d5g s SER 65 Cb -0.14 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.73 1d5g s SER 65 CO 0.16 -1.11 0.52 -0.22 0.41 0.00 0.00 173.24 173.00 1d5g s LEU 66 N 4.11 4.97 0.41 2.44 1.98 -1.26 -5.05 118.68 126.27 1d5g s LEU 66 Ca 0.45 -3.60 -0.25 0.00 -2.89 0.00 0.00 54.13 47.84 1d5g s LEU 66 Cb -0.09 -1.73 -0.08 0.00 0.66 0.00 0.00 46.19 44.95 1d5g s LEU 66 CO 0.26 -0.16 1.20 -1.83 -1.89 0.00 0.00 176.35 173.93 1d5g s GLU 67 N -1.12 4.00 0.00 1.98 -1.05 -1.26 -3.84 118.70 117.41 1d5g s GLU 67 Ca 0.23 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 56.96 1d5g s GLU 67 Cb -0.10 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.92 1d5g s GLU 67 CO -0.12 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.12 1d5g n GLY 68 N 0.63 1.86 3.68 -3.83 0.00 -1.26 -5.06 105.19 101.22 1d5g n GLY 68 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1d5g n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g n ALA 69 N -1.63 1.70 -1.45 4.61 0.00 -1.25 -4.82 120.51 117.67 1d5g n ALA 69 Ca 0.00 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.55 1d5g n ALA 69 Cb 0.00 -2.42 0.10 0.00 0.00 0.00 0.00 19.45 17.13 1d5g n ALA 69 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1d5g s THR 70 N 1.44 3.04 0.21 0.00 -4.23 -1.26 -4.47 115.64 110.38 1d5g s THR 70 Ca 0.80 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 61.54 1d5g s THR 70 Cb -0.63 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.38 1d5g s THR 70 CO 0.38 -0.44 1.88 -0.74 -0.54 0.00 0.00 174.62 175.16 1d5g h HIS 71 N -1.18 0.98 -0.91 3.99 2.76 -1.38 -1.48 115.15 117.93 1d5g h HIS 71 Ca -0.47 0.02 0.10 0.00 -2.20 0.00 0.00 60.37 57.82 1d5g h HIS 71 Cb 1.27 -0.33 -0.07 0.00 1.55 0.00 0.00 27.41 29.83 1d5g h HIS 71 CO 0.47 0.62 0.58 -0.22 -1.30 0.00 0.00 177.93 178.09 1d5g h LYS 72 N 1.05 0.86 -0.18 5.26 1.63 -1.94 -0.47 116.57 122.78 1d5g h LYS 72 Ca 0.28 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.91 1d5g h LYS 72 Cb -0.11 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.33 1d5g h LYS 72 CO -0.06 0.57 -0.36 1.96 -3.45 0.00 0.00 179.45 178.11 1d5g h GLN 73 N 0.88 0.57 -0.08 1.90 1.08 -1.65 -2.50 115.11 115.31 1d5g h GLN 73 Ca 0.43 -0.36 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1d5g h GLN 73 Cb 0.44 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1d5g h GLN 73 CO -0.19 0.97 0.01 0.00 -0.95 0.00 0.00 178.83 178.67 1d5g h ALA 74 N 0.59 0.10 0.21 3.87 0.00 -1.26 -3.06 119.26 119.72 1d5g h ALA 74 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1d5g h ALA 74 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1d5g h ALA 74 CO 0.08 -0.23 -0.10 0.28 0.00 0.00 0.00 179.25 179.27 1d5g h VAL 75 N -0.13 0.81 0.00 0.00 2.07 -1.10 -2.25 116.25 115.65 1d5g h VAL 75 Ca 0.02 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1d5g h VAL 75 Cb 0.31 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1d5g h VAL 75 CO 0.00 0.03 -0.11 -0.33 0.02 0.00 0.00 177.57 177.18 1d5g h GLU 76 N -0.34 0.00 -0.67 1.57 5.08 -1.58 0.31 114.58 118.94 1d5g h GLU 76 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1d5g h GLU 76 Cb 0.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1d5g h GLU 76 CO 0.05 0.11 0.15 1.15 -1.00 0.00 0.00 179.01 179.46 1d5g h THR 77 N 0.00 1.26 0.00 1.13 2.02 -1.39 -0.55 112.91 115.38 1d5g h THR 77 Ca -0.00 -0.98 -0.14 0.00 0.77 0.00 0.00 66.41 66.06 1d5g h THR 77 Cb 0.66 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1d5g h THR 77 CO 0.01 0.37 -0.69 -0.07 0.37 0.00 0.00 175.52 175.52 1d5g h LEU 78 N 1.01 0.00 -0.39 2.58 3.38 -0.79 -3.20 115.31 117.90 1d5g h LEU 78 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1d5g h LEU 78 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1d5g h LEU 78 CO 0.01 0.64 -0.02 0.03 0.09 0.00 0.00 178.44 179.18 1d5g h ARG 79 N 0.00 0.71 -2.48 1.13 3.08 -0.87 -3.29 114.38 112.66 1d5g h ARG 79 Ca -0.02 -0.24 -0.34 0.00 0.07 0.00 0.00 59.98 59.45 1d5g h ARG 79 Cb 1.50 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.46 1d5g h ARG 79 CO 0.08 0.82 1.20 -1.71 -1.07 0.00 0.00 179.97 179.29 1d5g n ASN 80 N -4.42 5.99 0.00 7.04 5.15 -0.22 -4.26 115.26 124.54 1d5g n ASN 80 Ca -0.01 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.53 1d5g n ASN 80 Cb 0.31 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.20 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1d5g n THR 81 N 3.00 0.00 0.00 -0.44 -2.24 -1.24 -4.95 114.28 108.41 1d5g n THR 81 Ca 0.52 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 1d5g n THR 81 Cb 0.59 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1d5g n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d5g n GLY 82 N 3.61 2.42 0.01 3.38 0.00 -1.26 -4.65 105.19 108.70 1d5g n GLY 82 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.15 1.61 4.15 -1.97 -3.40 115.11 110.35 1d5g h GLN 83 Ca 0.00 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.97 1d5g h GLN 83 Cb 0.00 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 27.41 1d5g h GLN 83 CO 0.00 0.00 -0.80 0.54 -1.93 0.00 0.00 178.83 176.64 1d5g s VAL 84 N -1.14 1.00 -0.31 2.39 0.11 -1.26 -2.08 120.40 119.12 1d5g s VAL 84 Ca -0.01 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1d5g s VAL 84 Cb 0.00 -0.86 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 1d5g s VAL 84 CO 0.01 0.20 0.01 -0.69 -3.33 0.00 0.00 175.10 171.30 1d5g s VAL 85 N -0.45 2.95 -0.13 2.04 1.01 0.96 -4.89 120.40 121.89 1d5g s VAL 85 Ca 0.04 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1d5g s VAL 85 Cb -0.06 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1d5g s VAL 85 CO -0.00 -0.15 -0.18 -2.28 0.00 0.00 0.00 175.10 172.49 1d5g s HIS 86 N 1.23 2.72 0.03 5.22 5.04 -1.26 -0.81 115.29 127.44 1d5g s HIS 86 Ca -0.04 -0.99 -0.02 0.00 -1.54 0.00 0.00 55.06 52.47 1d5g s HIS 86 Cb -0.20 -1.82 -0.02 0.00 0.04 0.00 0.00 32.58 30.58 1d5g s HIS 86 CO -0.02 -0.41 0.02 -0.51 -2.34 0.00 0.00 174.74 171.48 1d5g s LEU 87 N 0.58 2.09 -0.14 8.88 1.43 -0.83 -1.90 118.68 128.80 1d5g s LEU 87 Ca -0.11 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1d5g s LEU 87 Cb -0.16 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.37 1d5g s LEU 87 CO 0.03 -0.40 -0.18 -0.22 0.23 0.00 0.00 176.35 175.81 1d5g s LEU 88 N -1.80 1.93 0.17 1.79 1.98 -0.64 -1.20 118.68 120.91 1d5g s LEU 88 Ca -0.10 -0.54 -0.09 0.00 -2.89 0.00 0.00 54.13 50.51 1d5g s LEU 88 Cb -0.05 -1.30 -0.01 0.00 0.66 0.00 0.00 46.19 45.49 1d5g s LEU 88 CO -0.03 0.03 0.29 -1.48 -1.89 0.00 0.00 176.35 173.27 1d5g s LEU 89 N 1.02 0.93 -0.04 -0.68 2.34 -0.46 -1.14 118.68 120.64 1d5g s LEU 89 Ca -0.04 -0.90 0.03 0.00 0.06 0.00 0.00 54.13 53.27 1d5g s LEU 89 Cb -0.15 1.19 -0.03 0.00 -0.56 0.00 0.00 46.19 46.64 1d5g s LEU 89 CO -0.04 -0.91 -0.10 -0.70 -1.06 0.00 0.00 176.35 173.54 1d5g s GLU 90 N -3.98 2.58 0.25 1.48 2.12 0.99 -0.18 118.70 121.96 1d5g s GLU 90 Ca 0.19 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.56 1d5g s GLU 90 Cb 0.03 -2.48 -0.09 0.00 0.26 0.00 0.00 34.13 31.85 1d5g s GLU 90 CO 0.01 0.63 1.20 0.15 -0.54 0.00 0.00 175.26 176.71 1d5g s LYS 91 N -0.97 4.50 0.00 4.30 -0.14 -0.85 -1.14 119.74 125.44 1d5g s LYS 91 Ca 0.13 1.95 0.00 0.00 -1.36 0.00 0.00 55.97 56.69 1d5g s LYS 91 Cb -0.11 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 1d5g s LYS 91 CO 0.03 -0.03 0.00 0.41 -0.76 0.00 0.00 175.35 175.00 1d5g n GLY 92 N 1.58 1.11 3.94 -3.33 0.00 -1.25 -4.46 105.19 102.77 1d5g n GLY 92 Ca 0.02 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 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 0.99 2.52 0.53 1.61 -0.21 -1.26 -4.62 119.66 119.22 1d5g s GLN 93 Ca 0.00 -0.36 -0.08 0.00 0.02 0.00 0.00 55.36 54.94 1d5g s GLN 93 Cb 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1d5g s GLN 93 CO 0.00 -0.90 0.88 0.45 -2.12 0.00 0.00 175.29 173.60 1d5g s SER 94 N -4.42 6.27 1.16 5.90 0.15 -1.26 -4.96 113.70 116.54 1d5g s SER 94 Ca 0.57 1.12 -0.16 0.00 0.70 0.00 0.00 55.95 58.18 1d5g s SER 94 Cb -0.11 -2.34 0.27 0.00 -1.71 0.00 0.00 66.02 62.14 1d5g s SER 94 CO 0.43 -0.67 1.06 -2.84 1.20 0.00 0.00 173.24 172.41 1d5g s PRO 95 N -4.85 -0.89 0.00 5.44 0.02 -1.26 -5.18 135.00 128.28 1d5g s PRO 95 Ca 0.50 0.31 0.22 0.00 0.02 0.00 0.00 61.00 62.05 1d5g s PRO 95 Cb -0.11 -1.60 0.17 0.00 0.02 0.00 0.00 34.50 32.99 1d5g s PRO 95 CO 0.47 -3.57 1.20 0.25 -0.33 0.00 0.00 177.00 175.02