#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 3.16 0.11 -0.52 -2.85 -1.26 -5.01 119.74 113.37 1d5g s LYS 2 Ca 0.00 0.49 -0.13 0.00 -1.00 0.00 0.00 55.97 55.34 1d5g s LYS 2 Cb 0.00 -2.09 -0.13 0.00 -2.06 0.00 0.00 37.83 33.55 1d5g s LYS 2 CO 0.00 -0.79 1.35 -1.00 0.10 0.00 0.00 175.35 175.01 1d5g h PRO 3 N -0.43 0.81 -2.84 1.78 0.13 -2.01 -3.33 132.00 126.10 1d5g h PRO 3 Ca -0.45 -0.57 -0.75 0.00 -0.87 0.00 0.00 66.00 63.36 1d5g h PRO 3 Cb 1.23 0.09 -0.32 0.00 0.13 0.00 0.00 31.00 32.13 1d5g h PRO 3 CO 0.63 1.20 0.37 0.41 -0.23 0.00 0.00 178.00 180.37 1d5g n GLY 4 N 0.52 4.92 3.95 1.56 0.00 -1.26 -4.93 105.19 109.95 1d5g n GLY 4 Ca -0.06 -2.68 -0.29 0.00 0.00 0.00 0.00 46.02 42.99 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 -1.54 3.18 0.02 1.61 2.15 -1.25 -4.19 116.67 116.65 1d5g s ASP 5 Ca 0.33 0.09 -0.24 0.00 0.43 0.00 0.00 52.55 53.16 1d5g s ASP 5 Cb 0.05 -0.13 -0.05 0.00 -0.30 0.00 0.00 42.92 42.48 1d5g s ASP 5 CO 0.04 -2.67 0.73 -0.63 -0.17 0.00 0.00 175.17 172.47 1d5g s ILE 6 N -3.79 4.81 0.03 4.11 1.09 -1.26 -0.53 121.20 125.65 1d5g s ILE 6 Ca 0.74 1.54 0.02 0.00 -1.10 0.00 0.00 60.65 61.85 1d5g s ILE 6 Cb -0.03 -4.07 -0.02 0.00 -1.06 0.00 0.00 42.46 37.28 1d5g s ILE 6 CO 0.52 0.36 -0.07 0.72 -0.10 0.00 0.00 174.94 176.37 1d5g s PHE 7 N 0.04 0.61 -0.13 3.97 -0.71 -0.79 -4.96 117.98 116.02 1d5g s PHE 7 Ca 0.37 -0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1d5g s PHE 7 Cb -0.20 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.21 1d5g s PHE 7 CO 0.21 -0.06 0.01 -1.83 -1.34 0.00 0.00 175.22 172.21 1d5g s GLU 8 N -1.09 3.42 -0.33 1.99 -1.05 -1.26 -0.80 118.70 119.58 1d5g s GLU 8 Ca -0.06 -0.42 -0.11 0.00 -0.15 0.00 0.00 54.97 54.23 1d5g s GLU 8 Cb -0.07 -2.93 -0.01 0.00 -0.44 0.00 0.00 34.13 30.67 1d5g s GLU 8 CO 0.00 0.48 0.20 0.08 0.95 0.00 0.00 175.26 176.97 1d5g s VAL 9 N -0.25 4.96 -0.42 1.83 1.01 -0.31 -4.99 120.40 122.23 1d5g s VAL 9 Ca 0.06 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1d5g s VAL 9 Cb -0.12 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1d5g s VAL 9 CO 0.02 0.02 0.15 -1.61 0.00 0.00 0.00 175.10 173.68 1d5g s GLU 10 N 1.67 1.68 0.00 2.72 2.02 -1.26 -1.90 118.70 123.63 1d5g s GLU 10 Ca 0.05 -2.20 0.00 0.00 0.02 0.00 0.00 54.97 52.85 1d5g s GLU 10 Cb -0.17 -3.22 0.00 0.00 0.10 0.00 0.00 34.13 30.84 1d5g s GLU 10 CO 0.08 -1.02 0.00 -0.11 0.02 0.00 0.00 175.26 174.24 1d5g n LEU 11 N 3.74 0.00 -3.89 1.80 7.94 -0.84 -5.00 117.00 120.75 1d5g n LEU 11 Ca 0.04 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.86 1d5g n LEU 11 Cb 0.37 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.28 1d5g n LEU 11 CO 0.27 0.00 0.26 0.00 -1.11 0.00 0.00 177.39 176.81 1d5g s ALA 12 N -2.00 -0.65 0.08 1.96 0.00 -1.26 -1.47 121.76 118.42 1d5g s ALA 12 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1d5g s ALA 12 Cb 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 24.00 1d5g s ALA 12 CO 0.00 -0.87 1.29 -1.59 0.00 0.00 0.00 175.76 174.59 1d5g s LYS 13 N -3.95 4.38 0.00 0.00 -2.85 -0.40 -4.87 119.74 112.04 1d5g s LYS 13 Ca 0.16 1.90 0.00 0.00 -1.00 0.00 0.00 55.97 57.03 1d5g s LYS 13 Cb -0.02 -3.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 1d5g s LYS 13 CO 0.05 -0.35 0.00 0.27 0.10 0.00 0.00 175.35 175.42 1d5g n ASN 14 N 4.04 0.01 0.04 0.03 0.23 -1.26 -4.94 115.26 113.41 1d5g n ASN 14 Ca 0.10 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.13 1d5g n ASN 14 Cb 0.45 -0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.13 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 -0.15 0.00 0.53 1.82 -1.96 -3.48 116.42 113.18 1d5g h ASP 15 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1d5g h ASP 15 Cb 0.00 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1d5g h ASP 15 CO 0.00 0.20 0.00 -3.20 -1.61 0.00 0.00 179.24 174.63 1d5g n ASN 16 N -4.17 0.00 0.00 2.28 5.15 -1.26 -4.98 115.26 112.28 1d5g n ASN 16 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1d5g n ASN 16 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1d5g n SER 17 N 0.00 0.00 0.00 1.20 3.41 -1.26 -4.43 113.62 112.54 1d5g n SER 17 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1d5g n SER 17 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.22 0.00 -0.26 1.04 4.77 -1.26 -4.33 117.00 115.74 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 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1d5g n LEU 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1d5g n GLY 19 N 4.10 0.59 2.98 -0.72 0.00 -1.26 -1.47 105.19 109.41 1d5g n GLY 19 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.65 0.07 0.09 -0.61 2.07 -1.26 -1.16 121.20 118.76 1d5g s ILE 20 Ca 0.00 -0.61 0.09 0.00 -1.41 0.00 0.00 60.65 58.72 1d5g s ILE 20 Cb 0.00 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.33 1d5g s ILE 20 CO 0.00 -0.34 -0.24 -0.55 -1.91 0.00 0.00 174.94 171.91 1d5g s SER 21 N -1.01 2.89 0.20 4.50 0.15 -0.29 -4.91 113.70 115.22 1d5g s SER 21 Ca -0.11 -0.66 0.09 0.00 0.70 0.00 0.00 55.95 55.97 1d5g s SER 21 Cb -0.07 -0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.00 1d5g s SER 21 CO -0.00 0.15 -0.19 -0.69 1.20 0.00 0.00 173.24 173.71 1d5g s VAL 22 N -1.01 2.01 -0.15 4.45 1.01 -1.26 -0.95 120.40 124.50 1d5g s VAL 22 Ca 0.10 -2.09 -0.03 0.00 0.00 0.00 0.00 61.98 59.95 1d5g s VAL 22 Cb -0.10 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.32 1d5g s VAL 22 CO 0.04 -0.36 0.05 0.28 0.00 0.00 0.00 175.10 175.11 1d5g s THR 23 N -2.28 0.23 0.00 3.92 -1.32 -0.66 -4.67 115.64 110.87 1d5g s THR 23 Ca 0.21 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1d5g s THR 23 Cb -0.05 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1d5g s THR 23 CO 0.09 -0.11 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1d5g n GLY 24 N 5.17 -1.28 0.00 6.08 0.00 -1.26 -4.05 105.19 109.85 1d5g n GLY 24 Ca -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.37 0.76 0.00 -0.02 0.00 -1.26 -3.78 105.19 99.53 1d5g n GLY 25 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 0.00 -0.07 1.61 0.24 -1.26 -3.12 118.33 115.73 1d5g n VAL 26 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1d5g n VAL 26 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 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 0.91 -4.24 -1.34 7.08 -1.92 -3.34 115.58 112.73 1d5g h ASN 27 Ca 0.00 -0.48 -0.11 0.00 -3.08 0.00 0.00 56.30 52.63 1d5g h ASN 27 Cb 0.00 -0.26 -0.23 0.00 -2.08 0.00 0.00 38.32 35.76 1d5g h ASN 27 CO 0.00 1.26 -0.20 0.28 -2.08 0.00 0.00 177.43 176.69 1d5g s THR 28 N -4.13 0.01 0.03 6.14 -1.32 -1.26 -4.74 115.64 110.37 1d5g s THR 28 Ca -0.10 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 1d5g s THR 28 Cb 0.10 -0.63 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1d5g s THR 28 CO 0.88 -0.06 0.00 -0.24 -2.21 0.00 0.00 174.62 172.99 1d5g n SER 29 N 2.33 -0.28 -0.07 8.08 2.88 -1.26 -4.93 113.62 120.36 1d5g n SER 29 Ca -0.16 0.07 -0.06 0.00 -1.33 0.00 0.00 58.87 57.39 1d5g n SER 29 Cb 0.57 0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 64.64 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 0.19 0.00 2.46 2.07 -1.47 -3.47 116.25 116.03 1d5g h VAL 30 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1d5g h VAL 30 Cb 0.00 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1d5g h VAL 30 CO 0.00 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 176.51 1d5g n ARG 31 N -4.63 0.00 -2.76 1.57 0.63 -1.26 -4.92 116.66 105.29 1d5g n ARG 31 Ca -0.09 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.65 1d5g n ARG 31 Cb 0.27 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.17 1d5g n ARG 31 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1d5g n HIS 32 N -0.64 2.17 0.00 -0.14 1.44 -1.26 -5.02 115.22 111.78 1d5g n HIS 32 Ca 0.00 -3.30 0.00 0.00 -2.01 0.00 0.00 57.72 52.41 1d5g n HIS 32 Cb 0.00 -0.32 0.00 0.00 0.12 0.00 0.00 29.99 29.79 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 -0.16 0.26 0.00 -1.39 0.00 -1.26 -4.66 105.19 97.98 1d5g n GLY 33 Ca 0.25 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.76 3.26 -0.02 0.00 -1.26 -1.50 105.19 104.91 1d5g n GLY 34 Ca 0.00 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.18 1.63 -0.04 -0.61 -1.09 -1.25 -4.12 121.20 112.54 1d5g s ILE 35 Ca 0.00 -1.44 0.04 0.00 -2.23 0.00 0.00 60.65 57.02 1d5g s ILE 35 Cb 0.00 -1.48 -0.00 0.00 -1.58 0.00 0.00 42.46 39.40 1d5g s ILE 35 CO 0.00 -0.02 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.04 1d5g s TYR 36 N -1.09 1.72 0.02 3.97 6.14 -1.25 -3.10 117.35 123.77 1d5g s TYR 36 Ca 0.06 -0.48 -0.30 0.00 0.64 0.00 0.00 57.07 56.98 1d5g s TYR 36 Cb -0.10 -1.16 -0.04 0.00 0.42 0.00 0.00 41.96 41.09 1d5g s TYR 36 CO 0.03 -0.16 1.03 0.08 0.64 0.00 0.00 175.55 177.18 1d5g s VAL 37 N 0.00 4.65 -0.14 3.14 1.01 -0.95 -1.66 120.40 126.45 1d5g s VAL 37 Ca -0.03 1.92 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 1d5g s VAL 37 Cb -0.11 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1d5g s VAL 37 CO 0.02 0.16 -0.14 0.50 0.00 0.00 0.00 175.10 175.64 1d5g h LYS 38 N 6.71 0.00 -2.61 2.72 3.64 -1.31 -2.61 116.57 123.10 1d5g h LYS 38 Ca -0.41 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.04 1d5g h LYS 38 Cb 1.22 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 1d5g h LYS 38 CO 0.76 0.07 0.37 0.00 -2.27 0.00 0.00 179.45 178.37 1d5g s ALA 39 N -2.70 -1.64 -0.11 5.00 0.00 -1.04 -4.50 121.76 116.78 1d5g s ALA 39 Ca -0.15 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1d5g s ALA 39 Cb 0.02 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.76 1d5g s ALA 39 CO 0.23 -0.83 0.41 0.08 0.00 0.00 0.00 175.76 175.65 1d5g s VAL 40 N -3.46 5.20 -0.23 0.00 1.01 -1.26 -1.14 120.40 120.51 1d5g s VAL 40 Ca 0.06 0.81 -0.26 0.00 0.00 0.00 0.00 61.98 62.59 1d5g s VAL 40 Cb -0.02 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1d5g s VAL 40 CO -0.06 0.39 0.89 -0.63 0.00 0.00 0.00 175.10 175.69 1d5g s ILE 41 N 0.29 4.80 -1.49 2.22 -1.09 -0.31 -4.95 121.20 120.67 1d5g s ILE 41 Ca 0.23 1.70 -0.13 0.00 -2.23 0.00 0.00 60.65 60.21 1d5g s ILE 41 Cb -0.15 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.57 1d5g s ILE 41 CO 0.09 -0.09 2.40 -0.81 -1.23 0.00 0.00 174.94 175.30 1d5g n PRO 42 N 6.02 3.03 0.00 2.79 -0.04 -1.26 -3.94 135.00 141.60 1d5g n PRO 42 Ca 0.07 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1d5g n PRO 42 Cb 0.47 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 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 5.50 0.00 0.00 0.54 6.02 -1.26 -5.10 117.38 123.08 1d5g n GLN 43 Ca 0.58 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1d5g n GLN 43 Cb 0.35 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.25 1d5g n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d5g n GLY 44 N 0.00 1.53 0.27 1.08 0.00 -1.25 -5.02 105.19 101.80 1d5g n GLY 44 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.98 -0.91 4.61 0.00 -1.78 -0.94 119.26 123.22 1d5g h ALA 45 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1d5g h ALA 45 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1d5g h ALA 45 CO 0.00 0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.93 1d5g h ALA 46 N 1.38 1.16 -0.00 0.00 0.00 -1.45 0.17 119.26 120.52 1d5g h ALA 46 Ca 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1d5g h ALA 46 Cb 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1d5g h ALA 46 CO -0.20 0.54 -0.00 1.49 0.00 0.00 0.00 179.25 181.08 1d5g h GLU 47 N 1.22 0.00 0.17 0.00 4.22 -1.71 -2.75 114.58 115.74 1d5g h GLU 47 Ca 0.34 -0.00 0.01 0.00 0.08 0.00 0.00 59.36 59.79 1d5g h GLU 47 Cb -0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1d5g h GLU 47 CO -0.08 0.69 -0.31 1.03 -2.18 0.00 0.00 179.01 178.16 1d5g h SER 48 N -0.69 -0.87 0.12 1.04 0.87 -0.97 -3.25 113.55 109.79 1d5g h SER 48 Ca -0.00 0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 1d5g h SER 48 Cb 0.69 0.32 0.02 0.00 -0.44 0.00 0.00 62.40 62.99 1d5g h SER 48 CO 0.00 -0.41 -0.78 -0.78 -0.53 0.00 0.00 176.83 174.33 1d5g h ASP 49 N -0.56 0.49 -2.78 6.23 1.82 -0.84 -3.50 116.42 117.28 1d5g h ASP 49 Ca 0.02 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.74 1d5g h ASP 49 Cb 0.57 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1d5g h ASP 49 CO -0.15 1.36 0.00 0.61 -1.61 0.00 0.00 179.24 179.45 1d5g n GLY 50 N 1.55 -2.64 1.03 -0.78 0.00 -1.04 -5.07 105.19 98.25 1d5g n GLY 50 Ca -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1d5g n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5g n ARG 51 N 0.01 0.00 -4.81 1.61 5.12 -1.26 -5.08 116.66 112.25 1d5g n ARG 51 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 1d5g n ARG 51 Cb 0.00 -0.31 -0.16 0.00 -1.16 0.00 0.00 32.46 30.83 1d5g n ARG 51 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1d5g s ILE 52 N -1.65 1.42 0.40 0.55 1.01 -1.26 -5.11 121.20 116.56 1d5g s ILE 52 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1d5g s ILE 52 Cb 0.00 -1.24 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 1d5g s ILE 52 CO 0.00 0.41 0.05 0.00 0.00 0.00 0.00 174.94 175.40 1d5g n HIS 53 N 3.35 0.69 -1.68 3.97 1.44 -1.26 -4.94 115.22 116.78 1d5g n HIS 53 Ca -0.19 -2.18 -0.46 0.00 -2.01 0.00 0.00 57.72 52.88 1d5g n HIS 53 Cb 0.53 -0.19 -0.04 0.00 0.12 0.00 0.00 29.99 30.41 1d5g n HIS 53 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1d5g n LYS 54 N -0.98 2.34 -1.07 -1.40 4.81 -1.26 -2.37 118.16 118.23 1d5g n LYS 54 Ca -0.13 0.85 -0.03 0.00 -0.87 0.00 0.00 58.31 58.13 1d5g n LYS 54 Cb 0.54 -2.68 -0.01 0.00 0.02 0.00 0.00 35.03 32.90 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 4.00 0.58 3.78 3.14 0.00 -0.98 -4.52 105.19 111.19 1d5g n GLY 55 Ca 0.19 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.65 4.53 -0.20 1.61 1.01 -1.00 -3.90 116.67 116.07 1d5g s ASP 56 Ca 0.00 1.61 0.01 0.00 0.71 0.00 0.00 52.55 54.88 1d5g s ASP 56 Cb 0.00 -2.36 0.04 0.00 1.01 0.00 0.00 42.92 41.61 1d5g s ASP 56 CO 0.00 -1.98 -0.12 -0.13 0.21 0.00 0.00 175.17 173.15 1d5g s ARG 57 N -4.99 2.21 0.26 8.23 3.00 -0.95 -2.25 118.95 124.47 1d5g s ARG 57 Ca 0.61 -0.88 -0.15 0.00 0.00 0.00 0.00 55.73 55.30 1d5g s ARG 57 Cb -0.16 -2.48 -0.08 0.00 0.00 0.00 0.00 34.95 32.23 1d5g s ARG 57 CO 0.56 -0.40 0.69 0.14 0.00 0.00 0.00 175.30 176.28 1d5g s VAL 58 N 1.35 4.71 0.00 3.52 -7.23 -1.18 -0.37 120.40 121.20 1d5g s VAL 58 Ca -0.01 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1d5g s VAL 58 Cb -0.16 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.09 1d5g s VAL 58 CO -0.09 -0.02 0.00 0.18 -0.31 0.00 0.00 175.10 174.86 1d5g n LEU 59 N 0.07 0.00 -4.83 1.32 4.77 -0.68 -3.76 117.00 113.89 1d5g n LEU 59 Ca 0.01 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1d5g n LEU 59 Cb 0.52 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1d5g n LEU 59 CO 0.42 0.00 -0.03 0.00 -1.33 0.00 0.00 177.39 176.46 1d5g s ALA 60 N -2.00 3.75 -0.84 -1.18 0.00 -0.92 -4.41 121.76 116.16 1d5g s ALA 60 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1d5g s ALA 60 Cb 0.00 -2.22 0.18 0.00 0.00 0.00 0.00 23.12 21.08 1d5g s ALA 60 CO 0.00 0.46 0.89 0.08 0.00 0.00 0.00 175.76 177.19 1d5g s VAL 61 N -0.77 5.24 -1.25 0.00 1.01 0.17 -1.45 120.40 123.35 1d5g s VAL 61 Ca 0.19 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.12 1d5g s VAL 61 Cb -0.14 -4.58 -0.00 0.00 0.00 0.00 0.00 36.38 31.66 1d5g s VAL 61 CO 0.08 -1.20 0.82 -3.20 0.00 0.00 0.00 175.10 171.60 1d5g n ASN 62 N 5.07 -1.80 0.00 3.32 4.05 -0.80 -2.42 115.26 122.68 1d5g n ASN 62 Ca 0.15 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.44 1d5g n ASN 62 Cb 0.47 -4.49 0.00 0.00 1.23 0.00 0.00 39.78 36.99 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 -1.39 3.07 3.67 8.20 0.00 -1.26 -5.03 105.19 112.44 1d5g n GLY 63 Ca -0.28 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.62 4.91 0.01 1.61 1.01 -1.02 -4.95 120.40 120.35 1d5g s VAL 64 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 1d5g s VAL 64 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1d5g s VAL 64 CO 0.00 0.05 1.06 -0.55 0.00 0.00 0.00 175.10 175.66 1d5g s SER 65 N 1.14 7.26 -0.74 3.32 0.15 -1.26 -0.66 113.70 122.91 1d5g s SER 65 Ca 0.37 1.77 -0.03 0.00 0.70 0.00 0.00 55.95 58.76 1d5g s SER 65 Cb -0.17 -2.57 0.20 0.00 -1.71 0.00 0.00 66.02 61.77 1d5g s SER 65 CO 0.13 -0.35 2.37 -0.11 1.20 0.00 0.00 173.24 176.47 1d5g n LEU 66 N 4.03 7.11 -4.68 3.45 7.94 -1.26 -4.97 117.00 128.62 1d5g n LEU 66 Ca 0.07 -4.56 -0.42 0.00 -1.11 0.00 0.00 56.01 49.99 1d5g n LEU 66 Cb 0.49 -1.18 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 1d5g n LEU 66 CO 0.53 1.80 1.28 -1.61 -1.11 0.00 0.00 177.39 178.29 1d5g s GLU 67 N -2.81 4.22 0.00 1.96 2.02 -1.26 -2.76 118.70 120.07 1d5g s GLU 67 Ca 0.54 2.19 0.00 0.00 0.02 0.00 0.00 54.97 57.72 1d5g s GLU 67 Cb 0.37 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.91 1d5g s GLU 67 CO -0.28 -0.72 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1d5g n GLY 68 N 3.93 0.99 3.77 -1.39 0.00 -1.26 -5.04 105.19 106.19 1d5g n GLY 68 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.65 3.22 0.80 4.61 0.00 -1.11 -4.99 121.76 121.64 1d5g s ALA 69 Ca 0.00 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 1d5g s ALA 69 Cb 0.00 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 19.99 1d5g s ALA 69 CO 0.00 -0.08 1.12 0.95 0.00 0.00 0.00 175.76 177.74 1d5g s THR 70 N -1.46 2.12 0.19 0.00 -4.23 -1.26 -4.51 115.64 106.49 1d5g s THR 70 Ca 0.51 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1d5g s THR 70 Cb -0.25 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 70.88 1d5g s THR 70 CO 0.31 0.00 1.86 -0.74 -0.54 0.00 0.00 174.62 175.51 1d5g h HIS 71 N -0.95 0.80 -0.91 3.99 2.76 -1.66 -2.21 115.15 116.98 1d5g h HIS 71 Ca -0.41 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 57.79 1d5g h HIS 71 Cb 1.27 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.91 1d5g h HIS 71 CO -0.41 0.49 0.60 -0.22 -1.30 0.00 0.00 177.93 177.10 1d5g h LYS 72 N 0.86 1.19 -0.18 5.26 1.63 -1.95 -1.43 116.57 121.95 1d5g h LYS 72 Ca 0.24 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 59.79 1d5g h LYS 72 Cb -0.08 -0.27 -0.00 0.00 -0.60 0.00 0.00 32.23 31.28 1d5g h LYS 72 CO -0.06 0.79 -0.63 1.96 -3.45 0.00 0.00 179.45 178.06 1d5g h GLN 73 N 1.23 0.64 -0.25 1.90 1.08 -1.81 0.43 115.11 118.33 1d5g h GLN 73 Ca 0.34 -0.45 -0.09 0.00 -1.45 0.00 0.00 58.65 56.99 1d5g h GLN 73 Cb -0.13 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1d5g h GLN 73 CO -0.08 1.07 -0.25 0.00 -0.95 0.00 0.00 178.83 178.62 1d5g h ALA 74 N 0.83 1.12 0.13 3.87 0.00 -1.36 -2.43 119.26 121.41 1d5g h ALA 74 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1d5g h ALA 74 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1d5g h ALA 74 CO 0.12 0.55 -0.06 0.28 0.00 0.00 0.00 179.25 180.14 1d5g h VAL 75 N 0.41 0.96 -0.95 0.00 2.07 -0.99 -2.83 116.25 114.93 1d5g h VAL 75 Ca 0.06 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1d5g h VAL 75 Cb 0.66 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1d5g h VAL 75 CO 0.05 0.09 0.60 -0.08 0.02 0.00 0.00 177.57 178.25 1d5g h GLU 76 N -0.36 1.27 0.00 1.57 4.81 -0.86 -1.08 114.58 119.94 1d5g h GLU 76 Ca -0.02 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1d5g h GLU 76 Cb 0.29 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1d5g h GLU 76 CO 0.03 0.87 0.00 1.79 -0.73 0.00 0.00 179.01 180.97 1d5g h THR 77 N 1.30 0.00 0.00 0.32 1.35 -1.50 -0.68 112.91 113.70 1d5g h THR 77 Ca 0.35 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1d5g h THR 77 Cb -0.10 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1d5g h THR 77 CO -0.07 0.00 -0.54 -0.07 -0.25 0.00 0.00 175.52 174.59 1d5g h LEU 78 N 0.00 0.00 0.10 3.87 3.38 -0.97 -3.32 115.31 118.36 1d5g h LEU 78 Ca 0.00 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1d5g h LEU 78 Cb 0.49 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.26 1d5g h LEU 78 CO 0.00 0.01 -0.78 0.03 0.09 0.00 0.00 178.44 177.79 1d5g h ARG 79 N 0.00 0.35 -3.36 1.13 2.47 -0.52 -3.37 114.38 111.08 1d5g h ARG 79 Ca 0.00 -0.51 -0.71 0.00 -1.26 0.00 0.00 59.98 57.50 1d5g h ARG 79 Cb 0.96 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.41 1d5g h ARG 79 CO 0.00 1.21 3.13 0.09 0.56 0.00 0.00 179.97 184.96 1d5g n ASN 80 N -4.13 6.46 0.00 7.04 4.13 -0.33 -4.53 115.26 123.89 1d5g n ASN 80 Ca -0.13 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.30 1d5g n ASN 80 Cb 0.79 -1.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.48 1d5g n ASN 80 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1d5g n THR 81 N 3.78 0.00 0.00 3.41 -2.24 -1.26 -4.87 114.28 113.10 1d5g n THR 81 Ca 0.61 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.69 1d5g n THR 81 Cb 0.31 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.91 0.29 0.14 3.38 0.00 -1.26 -4.70 105.19 104.94 1d5g n GLY 82 Ca 0.00 -1.54 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 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 0.39 -6.15 1.61 5.75 -2.00 -3.43 115.11 111.29 1d5g h GLN 83 Ca 0.00 -0.46 -0.52 0.00 -0.15 0.00 0.00 58.65 57.51 1d5g h GLN 83 Cb 0.00 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.63 1d5g h GLN 83 CO 0.00 1.14 -0.51 0.54 -2.65 0.00 0.00 178.83 177.35 1d5g s VAL 84 N -3.04 3.33 -0.05 2.39 0.11 -1.26 -1.28 120.40 120.60 1d5g s VAL 84 Ca -0.13 -1.57 0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1d5g s VAL 84 Cb 0.03 -3.07 0.02 0.00 -1.53 0.00 0.00 36.38 31.83 1d5g s VAL 84 CO 0.83 -0.20 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.66 1d5g s VAL 85 N -2.36 0.55 -0.12 2.04 1.01 -0.54 -4.81 120.40 116.17 1d5g s VAL 85 Ca 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 1d5g s VAL 85 Cb -0.04 -0.59 0.06 0.00 0.00 0.00 0.00 36.38 35.80 1d5g s VAL 85 CO 0.24 0.24 0.14 -1.00 0.00 0.00 0.00 175.10 174.72 1d5g s HIS 86 N 1.10 -0.08 0.13 5.22 3.76 -1.26 -1.99 115.29 122.18 1d5g s HIS 86 Ca -0.08 0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.99 1d5g s HIS 86 Cb -0.14 -0.42 0.00 0.00 1.11 0.00 0.00 32.58 33.14 1d5g s HIS 86 CO -0.01 -0.38 0.29 -0.48 -0.85 0.00 0.00 174.74 173.31 1d5g s LEU 87 N 2.25 0.97 -0.14 0.89 2.34 -0.80 -1.90 118.68 122.28 1d5g s LEU 87 Ca 0.04 -0.66 0.02 0.00 0.06 0.00 0.00 54.13 53.59 1d5g s LEU 87 Cb -0.14 1.32 0.01 0.00 -0.56 0.00 0.00 46.19 46.83 1d5g s LEU 87 CO -0.07 -0.84 -0.20 -0.76 -1.06 0.00 0.00 176.35 173.41 1d5g s LEU 88 N -2.89 2.03 0.36 1.48 1.02 -0.53 -1.17 118.68 118.98 1d5g s LEU 88 Ca 0.09 -0.58 0.09 0.00 0.02 0.00 0.00 54.13 53.76 1d5g s LEU 88 Cb 0.03 -1.38 -0.06 0.00 0.02 0.00 0.00 46.19 44.80 1d5g s LEU 88 CO -0.06 0.06 -0.01 -0.76 0.02 0.00 0.00 176.35 175.59 1d5g s LEU 89 N 0.91 2.89 -0.10 1.79 1.02 0.02 -1.69 118.68 123.53 1d5g s LEU 89 Ca -0.05 -1.13 0.03 0.00 0.02 0.00 0.00 54.13 53.00 1d5g s LEU 89 Cb -0.15 -1.17 -0.01 0.00 0.02 0.00 0.00 46.19 44.88 1d5g s LEU 89 CO -0.03 -0.28 -0.19 -0.70 0.02 0.00 0.00 176.35 175.16 1d5g s GLU 90 N -3.69 3.06 -0.05 1.70 2.12 0.50 -1.88 118.70 120.46 1d5g s GLU 90 Ca 0.34 -0.80 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1d5g s GLU 90 Cb 0.03 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1d5g s GLU 90 CO 0.18 0.26 1.28 0.21 -0.54 0.00 0.00 175.26 176.65 1d5g s LYS 91 N 0.18 4.31 0.00 4.30 2.20 0.31 -2.23 119.74 128.82 1d5g s LYS 91 Ca -0.11 1.78 0.00 0.00 -0.36 0.00 0.00 55.97 57.27 1d5g s LYS 91 Cb -0.16 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1d5g s LYS 91 CO 0.06 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1d5g n GLY 92 N 3.50 0.60 3.88 5.54 0.00 -1.26 -4.29 105.19 113.16 1d5g n GLY 92 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.36 3.44 0.33 1.61 -0.21 -1.25 -4.83 119.66 118.39 1d5g s GLN 93 Ca 0.00 -0.14 -0.27 0.00 0.02 0.00 0.00 55.36 54.97 1d5g s GLN 93 Cb 0.00 -3.18 -0.09 0.00 1.00 0.00 0.00 33.01 30.73 1d5g s GLN 93 CO 0.00 0.77 1.14 -1.12 -2.12 0.00 0.00 175.29 173.96 1d5g s SER 94 N -1.09 6.94 0.02 5.90 0.01 -1.26 -4.98 113.70 119.23 1d5g s SER 94 Ca 0.16 2.31 -0.13 0.00 1.31 0.00 0.00 55.95 59.60 1d5g s SER 94 Cb -0.12 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.42 1d5g s SER 94 CO 0.05 -0.38 1.06 -0.65 0.41 0.00 0.00 173.24 173.73 1d5g h PRO 95 N 3.27 -0.45 0.00 12.44 0.11 -1.98 -3.54 132.00 141.84 1d5g h PRO 95 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1d5g h PRO 95 Cb 1.22 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1d5g h PRO 95 CO 0.65 -0.30 0.00 -2.37 -0.21 0.00 0.00 178.00 175.77