#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 3.54 0.03 0.54 -2.85 -1.26 -5.00 119.74 114.74 1d5g s LYS 2 Ca 0.00 1.01 -0.24 0.00 -1.00 0.00 0.00 55.97 55.74 1d5g s LYS 2 Cb 0.00 -2.07 -0.17 0.00 -2.06 0.00 0.00 37.83 33.53 1d5g s LYS 2 CO 0.00 -0.62 1.47 -1.35 0.10 0.00 0.00 175.35 174.95 1d5g h PRO 3 N 0.35 0.04 -2.44 1.78 0.11 -1.98 -3.28 132.00 126.58 1d5g h PRO 3 Ca -0.46 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.01 1d5g h PRO 3 Cb 1.20 -0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1d5g h PRO 3 CO 0.59 0.32 1.80 0.41 -0.21 0.00 0.00 178.00 180.91 1d5g n GLY 4 N -0.32 4.71 3.85 -0.55 0.00 -1.26 -4.72 105.19 106.90 1d5g n GLY 4 Ca -0.07 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 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 0.67 6.67 -0.12 1.61 2.15 -1.24 -4.29 116.67 122.12 1d5g s ASP 5 Ca 0.58 1.42 -0.20 0.00 0.43 0.00 0.00 52.55 54.79 1d5g s ASP 5 Cb 0.25 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.39 1d5g s ASP 5 CO -0.12 -0.44 0.55 -0.63 -0.17 0.00 0.00 175.17 174.36 1d5g s ILE 6 N -2.38 5.13 0.10 4.11 1.09 -1.26 -1.01 121.20 126.97 1d5g s ILE 6 Ca 0.57 1.09 0.01 0.00 -1.10 0.00 0.00 60.65 61.21 1d5g s ILE 6 Cb -0.10 -3.88 -0.04 0.00 -1.06 0.00 0.00 42.46 37.38 1d5g s ILE 6 CO 0.26 0.27 -0.04 0.72 -0.10 0.00 0.00 174.94 176.06 1d5g s PHE 7 N 0.89 0.82 -0.04 3.97 -0.71 0.02 -4.98 117.98 117.95 1d5g s PHE 7 Ca 0.29 -1.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.21 1d5g s PHE 7 Cb -0.16 -0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 41.13 1d5g s PHE 7 CO 0.12 -0.26 -0.13 -1.83 -1.34 0.00 0.00 175.22 171.78 1d5g s GLU 8 N -3.89 2.51 -0.12 1.99 -1.05 -1.26 -0.58 118.70 116.30 1d5g s GLU 8 Ca 0.13 -0.70 -0.06 0.00 -0.15 0.00 0.00 54.97 54.20 1d5g s GLU 8 Cb 0.06 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.31 1d5g s GLU 8 CO -0.05 0.62 0.09 0.08 0.95 0.00 0.00 175.26 176.95 1d5g s VAL 9 N -0.77 5.06 -0.32 1.83 1.01 -0.41 -5.00 120.40 121.79 1d5g s VAL 9 Ca 0.12 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1d5g s VAL 9 Cb -0.11 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.17 1d5g s VAL 9 CO 0.01 0.59 0.03 -1.61 0.00 0.00 0.00 175.10 174.12 1d5g s GLU 10 N -0.80 1.54 0.22 2.72 2.02 -1.26 -2.55 118.70 120.59 1d5g s GLU 10 Ca 0.13 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.45 1d5g s GLU 10 Cb -0.12 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 1d5g s GLU 10 CO 0.03 -0.87 0.11 -0.11 0.02 0.00 0.00 175.26 174.44 1d5g n LEU 11 N 4.34 0.00 -3.91 1.80 7.94 -0.03 -5.03 117.00 122.12 1d5g n LEU 11 Ca 0.00 -1.80 -0.09 0.00 -1.11 0.00 0.00 56.01 53.01 1d5g n LEU 11 Cb 0.42 0.72 -0.01 0.00 0.53 0.00 0.00 43.42 45.08 1d5g n LEU 11 CO 0.21 -0.29 0.38 0.00 -1.11 0.00 0.00 177.39 176.58 1d5g s ALA 12 N -2.68 -0.50 -0.03 1.96 0.00 -1.26 -0.90 121.76 118.34 1d5g s ALA 12 Ca 0.16 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 1d5g s ALA 12 Cb 0.01 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.96 1d5g s ALA 12 CO 0.11 -0.94 1.46 0.21 0.00 0.00 0.00 175.76 176.60 1d5g s LYS 13 N -3.20 4.25 0.00 0.00 2.20 0.29 -4.89 119.74 118.39 1d5g s LYS 13 Ca 0.18 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1d5g s LYS 13 Cb -0.04 -3.69 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1d5g s LYS 13 CO 0.11 -0.67 0.00 0.27 -0.36 0.00 0.00 175.35 174.71 1d5g n ASN 14 N 5.95 0.00 -0.01 1.43 0.23 -1.26 -4.94 115.26 116.66 1d5g n ASN 14 Ca 0.14 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.14 1d5g n ASN 14 Cb 0.43 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.09 0.00 0.53 5.19 -1.94 -3.49 116.42 116.62 1d5g h ASP 15 Ca 0.00 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1d5g h ASP 15 Cb 0.00 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1d5g h ASP 15 CO 0.00 0.50 0.00 -3.20 -3.12 0.00 0.00 179.24 173.42 1d5g n ASN 16 N -4.82 0.51 0.00 6.45 2.85 -1.26 -5.13 115.26 113.86 1d5g n ASN 16 Ca -0.04 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1d5g n ASN 16 Cb 0.16 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.18 1d5g n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 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 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1d5g n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.34 0.00 -0.27 1.04 4.77 -1.26 -4.55 117.00 116.39 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 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1d5g n LEU 18 CO 0.00 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.39 1d5g n GLY 19 N 2.05 0.67 3.17 -0.72 0.00 -1.26 -2.89 105.19 106.21 1d5g n GLY 19 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.78 0.12 0.15 -0.61 2.07 -1.26 -1.56 121.20 118.32 1d5g s ILE 20 Ca 0.00 -0.95 0.11 0.00 -1.41 0.00 0.00 60.65 58.39 1d5g s ILE 20 Cb 0.00 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 1d5g s ILE 20 CO 0.00 -0.53 -0.24 -0.55 -1.91 0.00 0.00 174.94 171.71 1d5g s SER 21 N -2.16 3.20 0.14 4.50 0.15 -0.28 -4.86 113.70 114.38 1d5g s SER 21 Ca -0.04 -0.79 0.09 0.00 0.70 0.00 0.00 55.95 55.91 1d5g s SER 21 Cb -0.00 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1d5g s SER 21 CO -0.05 0.13 -0.21 -0.69 1.20 0.00 0.00 173.24 173.62 1d5g s VAL 22 N -1.37 1.85 -0.01 4.45 1.01 -1.26 -0.51 120.40 124.57 1d5g s VAL 22 Ca 0.15 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1d5g s VAL 22 Cb -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1d5g s VAL 22 CO 0.07 -0.15 -0.01 0.28 0.00 0.00 0.00 175.10 175.29 1d5g s THR 23 N -1.53 0.13 0.00 3.92 -1.32 -0.23 -4.54 115.64 112.07 1d5g s THR 23 Ca 0.12 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1d5g s THR 23 Cb -0.08 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1d5g s THR 23 CO 0.06 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1d5g n GLY 24 N 3.23 0.65 1.47 6.08 0.00 -1.26 -3.40 105.19 111.95 1d5g n GLY 24 Ca -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.64 0.00 -0.02 0.00 -1.26 -4.88 105.19 99.67 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 -2.90 0.00 -0.05 1.61 0.24 -1.26 -1.15 118.33 114.81 1d5g n VAL 26 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1d5g n VAL 26 Cb 0.13 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 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 0.46 -5.33 -1.34 7.08 -1.95 -3.34 115.58 111.16 1d5g h ASN 27 Ca 0.00 -0.55 -0.29 0.00 -3.08 0.00 0.00 56.30 52.38 1d5g h ASN 27 Cb 0.00 -0.13 -0.15 0.00 -2.08 0.00 0.00 38.32 35.96 1d5g h ASN 27 CO 0.00 0.93 -0.61 0.28 -2.08 0.00 0.00 177.43 175.95 1d5g s THR 28 N -4.02 0.14 0.04 6.14 -1.32 -1.26 -4.85 115.64 110.51 1d5g s THR 28 Ca -0.14 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.34 1d5g s THR 28 Cb 0.05 -2.53 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 1d5g s THR 28 CO 0.78 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.95 1d5g n SER 29 N -0.44 -0.34 -0.09 8.08 2.88 -1.25 -4.78 113.62 117.67 1d5g n SER 29 Ca 0.02 0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.52 1d5g n SER 29 Cb 0.66 0.69 -0.05 0.00 -0.75 0.00 0.00 64.21 64.75 1d5g n SER 29 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1d5g n VAL 30 N -2.60 1.47 0.00 2.46 0.31 -0.53 -5.00 118.33 114.45 1d5g n VAL 30 Ca 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1d5g n VAL 30 Cb 0.00 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 1d5g n VAL 30 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1d5g n ARG 31 N -4.51 0.00 -2.53 5.55 0.63 -1.26 -4.95 116.66 109.59 1d5g n ARG 31 Ca -0.19 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.45 1d5g n ARG 31 Cb 0.47 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.38 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 0.00 3.50 0.00 -0.14 1.44 -1.26 -4.98 115.22 113.77 1d5g n HIS 32 Ca 0.00 -3.21 0.00 0.00 -2.01 0.00 0.00 57.72 52.50 1d5g n HIS 32 Cb 0.00 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 29.81 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 -0.43 0.19 0.00 -1.39 0.00 -1.26 -2.92 105.19 99.38 1d5g n GLY 33 Ca 0.39 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 1.70 3.25 -0.02 0.00 -1.26 -1.45 105.19 107.40 1d5g n GLY 34 Ca 0.00 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.00 1.47 0.03 -0.61 -1.09 -1.26 -4.25 121.20 113.48 1d5g s ILE 35 Ca 0.00 -1.53 0.06 0.00 -2.23 0.00 0.00 60.65 56.95 1d5g s ILE 35 Cb 0.00 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.43 1d5g s ILE 35 CO 0.00 -0.20 -0.19 -0.47 -1.23 0.00 0.00 174.94 172.85 1d5g s TYR 36 N -1.45 1.64 0.06 3.97 5.04 -1.22 -2.99 117.35 122.40 1d5g s TYR 36 Ca 0.05 -0.35 -0.31 0.00 -2.44 0.00 0.00 57.07 54.02 1d5g s TYR 36 Cb -0.09 -0.99 -0.06 0.00 0.35 0.00 0.00 41.96 41.17 1d5g s TYR 36 CO 0.04 0.05 1.24 0.08 -1.34 0.00 0.00 175.55 175.62 1d5g s VAL 37 N -0.72 3.89 -0.08 3.14 1.01 -0.58 -1.06 120.40 125.99 1d5g s VAL 37 Ca 0.06 1.35 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 1d5g s VAL 37 Cb -0.08 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 1d5g s VAL 37 CO 0.01 0.10 -0.02 0.50 0.00 0.00 0.00 175.10 175.69 1d5g h LYS 38 N 6.87 0.00 -2.35 2.72 3.64 -1.03 -3.11 116.57 123.30 1d5g h LYS 38 Ca -0.41 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1d5g h LYS 38 Cb 1.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 1d5g h LYS 38 CO 0.83 0.00 0.47 0.00 -2.27 0.00 0.00 179.45 178.48 1d5g s ALA 39 N -2.69 -1.68 -0.03 5.00 0.00 -1.20 -4.55 121.76 116.61 1d5g s ALA 39 Ca -0.02 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.10 1d5g s ALA 39 Cb 0.00 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 1d5g s ALA 39 CO 0.02 -0.96 0.45 0.08 0.00 0.00 0.00 175.76 175.35 1d5g s VAL 40 N -3.27 5.04 -0.23 0.00 1.01 -1.26 -1.13 120.40 120.55 1d5g s VAL 40 Ca 0.10 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 62.75 1d5g s VAL 40 Cb -0.01 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1d5g s VAL 40 CO -0.00 0.50 0.87 -0.63 0.00 0.00 0.00 175.10 175.84 1d5g s ILE 41 N -0.55 4.81 -1.54 2.22 -1.09 -0.60 -4.93 121.20 119.51 1d5g s ILE 41 Ca 0.25 1.67 -0.12 0.00 -2.23 0.00 0.00 60.65 60.22 1d5g s ILE 41 Cb -0.17 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 1d5g s ILE 41 CO 0.13 -0.09 2.59 -0.81 -1.23 0.00 0.00 174.94 175.54 1d5g n PRO 42 N 6.00 3.29 0.00 2.79 -0.04 -1.26 -3.80 135.00 141.98 1d5g n PRO 42 Ca 0.07 -2.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1d5g n PRO 42 Cb 0.47 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 4.81 0.00 -0.32 0.54 6.02 -1.26 -5.10 117.38 122.08 1d5g n GLN 43 Ca 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 1d5g n GLN 43 Cb 0.31 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.18 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 4.79 0.30 1.08 0.00 -1.25 -4.88 105.19 105.23 1d5g n GLY 44 Ca 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 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 1.09 1.21 -0.93 4.61 0.00 -1.77 -1.96 119.26 121.51 1d5g h ALA 45 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1d5g h ALA 45 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1d5g h ALA 45 CO 0.00 0.55 0.56 0.00 0.00 0.00 0.00 179.25 180.36 1d5g h ALA 46 N 1.34 1.18 0.34 0.00 0.00 -1.84 0.10 119.26 120.38 1d5g h ALA 46 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1d5g h ALA 46 Cb 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1d5g h ALA 46 CO -0.00 0.64 -0.16 1.49 0.00 0.00 0.00 179.25 181.21 1d5g h GLU 47 N 1.28 -0.44 0.65 0.00 4.81 -1.81 -2.89 114.58 116.18 1d5g h GLU 47 Ca 0.33 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1d5g h GLU 47 Cb -0.06 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1d5g h GLU 47 CO -0.06 -0.12 -0.35 1.03 -0.73 0.00 0.00 179.01 178.78 1d5g h SER 48 N -0.89 -0.85 0.40 1.04 0.87 -1.00 -3.22 113.55 109.91 1d5g h SER 48 Ca -0.05 0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 1d5g h SER 48 Cb 0.53 0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.74 1d5g h SER 48 CO 0.08 -0.57 -1.44 -0.78 -0.53 0.00 0.00 176.83 173.58 1d5g h ASP 49 N -0.92 0.64 -1.39 6.23 3.58 -1.20 -3.50 116.42 119.86 1d5g h ASP 49 Ca -0.09 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.64 1d5g h ASP 49 Cb 0.73 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1d5g h ASP 49 CO 0.12 1.58 0.00 0.61 -2.88 0.00 0.00 179.24 178.67 1d5g n GLY 50 N 1.67 -1.43 0.33 -0.78 0.00 -1.10 -5.07 105.19 98.81 1d5g n GLY 50 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.02 0.00 -4.51 1.61 5.12 -1.16 -5.06 116.66 112.67 1d5g n ARG 51 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1d5g n ARG 51 Cb 0.00 -0.48 -0.14 0.00 -1.16 0.00 0.00 32.46 30.68 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 -1.30 1.17 0.14 0.55 1.01 -1.26 -5.14 121.20 116.37 1d5g s ILE 52 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.83 1d5g s ILE 52 Cb 0.00 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 1d5g s ILE 52 CO 0.00 0.16 0.07 0.00 0.00 0.00 0.00 174.94 175.17 1d5g n HIS 53 N 2.26 -0.08 -1.68 3.97 1.44 -1.26 -4.78 115.22 115.08 1d5g n HIS 53 Ca -0.16 -0.99 -0.45 0.00 -2.01 0.00 0.00 57.72 54.11 1d5g n HIS 53 Cb 0.55 0.04 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.30 2.22 -1.00 -1.40 4.81 -1.26 -2.78 118.16 118.45 1d5g n LYS 54 Ca -0.00 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1d5g n LYS 54 Cb 0.22 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.75 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 2.78 0.44 3.80 3.14 0.00 -1.18 -4.67 105.19 109.51 1d5g n GLY 55 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.01 5.71 0.03 1.61 1.01 -1.12 -4.09 116.67 117.81 1d5g s ASP 56 Ca 0.00 1.79 0.07 0.00 0.71 0.00 0.00 52.55 55.12 1d5g s ASP 56 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 1d5g s ASP 56 CO 0.00 -1.22 -0.21 -0.13 0.21 0.00 0.00 175.17 173.82 1d5g s ARG 57 N -4.22 1.44 0.14 8.23 0.52 -0.68 -1.53 118.95 122.85 1d5g s ARG 57 Ca 0.63 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.96 1d5g s ARG 57 Cb -0.16 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1d5g s ARG 57 CO 0.40 0.39 0.23 0.14 0.02 0.00 0.00 175.30 176.48 1d5g s VAL 58 N -0.74 5.13 0.00 3.52 -7.23 -1.16 -0.15 120.40 119.77 1d5g s VAL 58 Ca 0.08 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1d5g s VAL 58 Cb -0.09 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1d5g s VAL 58 CO 0.01 -0.05 0.00 0.18 -0.31 0.00 0.00 175.10 174.93 1d5g n LEU 59 N -0.35 0.00 -4.90 1.32 4.32 -0.01 -4.37 117.00 113.00 1d5g n LEU 59 Ca -0.07 0.00 -0.32 0.00 -0.02 0.00 0.00 56.01 55.60 1d5g n LEU 59 Cb 0.54 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 1d5g n LEU 59 CO 0.48 0.00 -0.09 0.00 -1.22 0.00 0.00 177.39 176.56 1d5g s ALA 60 N -2.00 3.91 -0.41 -1.18 0.00 -1.09 -4.03 121.76 116.97 1d5g s ALA 60 Ca 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.22 1d5g s ALA 60 Cb 0.00 -1.96 0.11 0.00 0.00 0.00 0.00 23.12 21.26 1d5g s ALA 60 CO 0.00 0.74 0.21 0.08 0.00 0.00 0.00 175.76 176.79 1d5g s VAL 61 N -1.48 3.40 -1.04 0.00 1.01 -0.19 -1.34 120.40 120.75 1d5g s VAL 61 Ca 0.34 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 1d5g s VAL 61 Cb -0.13 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1d5g s VAL 61 CO 0.23 -0.65 0.86 -3.20 0.00 0.00 0.00 175.10 172.34 1d5g n ASN 62 N 4.64 -6.36 0.00 3.32 5.15 -0.35 -2.73 115.26 118.93 1d5g n ASN 62 Ca -0.04 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 1d5g n ASN 62 Cb 0.41 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.02 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 -1.41 1.62 3.70 8.20 0.00 -1.26 -4.99 105.19 111.05 1d5g n GLY 63 Ca -0.07 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1d5g n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 64 N -0.29 4.97 -0.10 1.61 1.01 -1.10 -4.94 120.40 121.55 1d5g s VAL 64 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 1d5g s VAL 64 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1d5g s VAL 64 CO 0.00 0.17 1.13 -0.55 0.00 0.00 0.00 175.10 175.85 1d5g s SER 65 N 0.94 7.11 -1.28 3.32 0.15 -1.26 -1.02 113.70 121.65 1d5g s SER 65 Ca 0.40 1.67 -0.12 0.00 0.70 0.00 0.00 55.95 58.59 1d5g s SER 65 Cb -0.18 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.72 1d5g s SER 65 CO 0.18 -0.57 1.77 0.18 1.20 0.00 0.00 173.24 176.00 1d5g n LEU 66 N 5.40 6.06 -4.55 3.45 4.32 -1.26 -4.95 117.00 125.48 1d5g n LEU 66 Ca 0.11 -4.45 -0.38 0.00 -0.02 0.00 0.00 56.01 51.27 1d5g n LEU 66 Cb 0.47 -1.57 -0.03 0.00 -1.62 0.00 0.00 43.42 40.66 1d5g n LEU 66 CO 0.54 1.02 1.64 -1.61 -1.22 0.00 0.00 177.39 177.76 1d5g s GLU 67 N 1.50 2.57 0.00 3.23 2.02 -1.26 -3.64 118.70 123.12 1d5g s GLU 67 Ca 0.43 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.09 1d5g s GLU 67 Cb 0.06 -4.42 0.00 0.00 0.10 0.00 0.00 34.13 29.87 1d5g s GLU 67 CO -0.00 -2.81 0.00 0.41 0.02 0.00 0.00 175.26 172.88 1d5g n GLY 68 N 5.75 0.55 3.74 -1.39 0.00 -1.15 -5.03 105.19 107.67 1d5g n GLY 68 Ca 0.22 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 3.35 0.85 4.61 0.00 -1.24 -4.98 121.76 122.36 1d5g s ALA 69 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1d5g s ALA 69 Cb 0.00 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.90 1d5g s ALA 69 CO 0.00 -0.15 1.22 0.95 0.00 0.00 0.00 175.76 177.78 1d5g s THR 70 N -0.36 2.00 0.21 0.00 -4.23 -1.26 -4.65 115.64 107.35 1d5g s THR 70 Ca 0.48 -0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 60.89 1d5g s THR 70 Cb -0.29 -3.00 0.16 0.00 1.34 0.00 0.00 72.50 70.72 1d5g s THR 70 CO 0.35 0.00 1.83 -0.74 -0.54 0.00 0.00 174.62 175.52 1d5g h HIS 71 N -1.21 1.09 -0.99 3.99 2.76 -1.26 0.03 115.15 119.57 1d5g h HIS 71 Ca -0.46 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.72 1d5g h HIS 71 Cb 1.30 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.86 1d5g h HIS 71 CO -0.09 0.76 0.65 -0.22 -1.30 0.00 0.00 177.93 177.73 1d5g h LYS 72 N 1.10 1.23 -0.32 5.26 1.63 -1.94 0.12 116.57 123.65 1d5g h LYS 72 Ca 0.28 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.87 1d5g h LYS 72 Cb 0.04 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1d5g h LYS 72 CO -0.04 0.82 -0.33 1.96 -3.45 0.00 0.00 179.45 178.40 1d5g h GLN 73 N 1.27 0.79 -0.55 1.90 1.08 -1.75 -0.95 115.11 116.90 1d5g h GLN 73 Ca 0.38 -0.42 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1d5g h GLN 73 Cb -0.04 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1d5g h GLN 73 CO -0.11 1.05 0.18 0.00 -0.95 0.00 0.00 178.83 179.00 1d5g h ALA 74 N 0.73 0.71 -0.25 3.87 0.00 -0.80 -1.96 119.26 121.56 1d5g h ALA 74 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1d5g h ALA 74 Cb 0.91 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1d5g h ALA 74 CO 0.08 0.37 -0.28 0.28 0.00 0.00 0.00 179.25 179.70 1d5g h VAL 75 N 0.76 1.31 -0.68 0.00 2.07 -0.95 -2.76 116.25 116.00 1d5g h VAL 75 Ca 0.18 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1d5g h VAL 75 Cb 0.27 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1d5g h VAL 75 CO -0.01 0.46 0.35 -0.08 0.02 0.00 0.00 177.57 178.31 1d5g h GLU 76 N 0.34 0.97 0.00 1.57 4.81 -1.17 -2.09 114.58 119.01 1d5g h GLU 76 Ca 0.03 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1d5g h GLU 76 Cb 0.85 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1d5g h GLU 76 CO 0.07 0.75 0.00 1.79 -0.73 0.00 0.00 179.01 180.89 1d5g h THR 77 N 0.94 0.00 0.23 0.32 1.35 -1.40 -0.91 112.91 113.44 1d5g h THR 77 Ca 0.24 -0.38 -0.33 0.00 -0.55 0.00 0.00 66.41 65.39 1d5g h THR 77 Cb 0.09 1.26 0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1d5g h THR 77 CO -0.03 0.00 -1.46 -0.07 -0.25 0.00 0.00 175.52 173.71 1d5g h LEU 78 N 0.00 0.76 0.00 3.87 3.38 -1.09 -3.38 115.31 118.85 1d5g h LEU 78 Ca 0.00 -0.83 -0.20 0.00 0.09 0.00 0.00 57.88 56.94 1d5g h LEU 78 Cb 0.44 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1d5g h LEU 78 CO 0.00 1.65 -1.25 0.03 0.09 0.00 0.00 178.44 178.96 1d5g h ARG 79 N 0.13 0.00 -2.92 1.13 3.08 -1.21 -3.37 114.38 111.22 1d5g h ARG 79 Ca -0.24 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.11 1d5g h ARG 79 Cb 2.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.16 1d5g h ARG 79 CO 0.26 0.50 3.35 0.09 -1.07 0.00 0.00 179.97 183.10 1d5g n ASN 80 N -3.07 8.31 0.00 7.04 3.02 -0.36 -4.58 115.26 125.62 1d5g n ASN 80 Ca -0.08 -2.77 0.00 0.00 -0.03 0.00 0.00 54.58 51.70 1d5g n ASN 80 Cb 0.89 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 3.04 0.00 0.00 3.41 -2.24 -1.26 -4.91 114.28 112.32 1d5g n THR 81 Ca 0.72 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 1d5g n THR 81 Cb 0.24 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 3.90 0.16 0.07 3.38 0.00 -1.26 -4.91 105.19 106.52 1d5g n GLY 82 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -6.01 1.61 5.75 -2.00 -3.45 115.11 111.02 1d5g h GLN 83 Ca 0.00 0.00 -0.65 0.00 -0.15 0.00 0.00 58.65 57.85 1d5g h GLN 83 Cb 0.00 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 1d5g h GLN 83 CO 0.00 0.86 -0.57 0.54 -2.65 0.00 0.00 178.83 177.00 1d5g s VAL 84 N -2.15 4.76 -0.29 2.39 0.11 -1.26 -0.54 120.40 123.41 1d5g s VAL 84 Ca -0.18 -0.43 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1d5g s VAL 84 Cb -0.02 -3.19 0.08 0.00 -1.53 0.00 0.00 36.38 31.72 1d5g s VAL 84 CO 0.58 0.32 -0.03 -0.69 -3.33 0.00 0.00 175.10 171.96 1d5g s VAL 85 N -1.23 2.07 -0.19 2.04 1.01 -0.08 -4.94 120.40 119.09 1d5g s VAL 85 Ca 0.24 -1.85 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 1d5g s VAL 85 Cb -0.12 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.92 1d5g s VAL 85 CO 0.15 -0.29 -0.14 -1.00 0.00 0.00 0.00 175.10 173.82 1d5g s HIS 86 N 1.08 2.84 0.20 5.22 3.76 -1.26 -0.85 115.29 126.28 1d5g s HIS 86 Ca -0.00 -1.33 -0.11 0.00 -0.15 0.00 0.00 55.06 53.47 1d5g s HIS 86 Cb -0.19 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.52 1d5g s HIS 86 CO -0.07 -0.67 0.37 -0.48 -0.85 0.00 0.00 174.74 173.03 1d5g s LEU 87 N 1.28 0.65 -0.04 0.89 2.34 -1.06 -1.21 118.68 121.53 1d5g s LEU 87 Ca 0.04 -0.86 0.07 0.00 0.06 0.00 0.00 54.13 53.43 1d5g s LEU 87 Cb -0.14 1.46 -0.01 0.00 -0.56 0.00 0.00 46.19 46.93 1d5g s LEU 87 CO -0.08 -0.99 -0.25 -0.76 -1.06 0.00 0.00 176.35 173.21 1d5g s LEU 88 N -2.98 2.06 0.18 1.48 1.02 -0.45 -1.28 118.68 118.70 1d5g s LEU 88 Ca 0.19 -0.49 0.08 0.00 0.02 0.00 0.00 54.13 53.93 1d5g s LEU 88 Cb 0.02 -1.34 -0.04 0.00 0.02 0.00 0.00 46.19 44.84 1d5g s LEU 88 CO 0.03 0.27 -0.17 -0.76 0.02 0.00 0.00 176.35 175.75 1d5g s LEU 89 N -0.35 2.48 -0.11 1.79 1.02 0.25 -0.83 118.68 122.92 1d5g s LEU 89 Ca 0.02 -0.91 0.00 0.00 0.02 0.00 0.00 54.13 53.27 1d5g s LEU 89 Cb -0.12 -0.78 -0.02 0.00 0.02 0.00 0.00 46.19 45.29 1d5g s LEU 89 CO 0.02 -0.08 -0.12 -0.70 0.02 0.00 0.00 176.35 175.49 1d5g s GLU 90 N -3.06 3.19 0.28 1.70 2.12 0.79 -0.80 118.70 122.92 1d5g s GLU 90 Ca 0.18 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 1d5g s GLU 90 Cb -0.04 -2.60 -0.10 0.00 0.26 0.00 0.00 34.13 31.65 1d5g s GLU 90 CO 0.07 0.33 1.28 0.21 -0.54 0.00 0.00 175.26 176.60 1d5g s LYS 91 N 0.06 4.41 0.00 4.30 2.47 -0.18 -1.69 119.74 129.11 1d5g s LYS 91 Ca -0.05 2.10 0.00 0.00 -1.56 0.00 0.00 55.97 56.47 1d5g s LYS 91 Cb -0.14 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1d5g s LYS 91 CO 0.04 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 175.81 1d5g n GLY 92 N 1.38 1.21 3.99 5.54 0.00 -1.26 -4.30 105.19 111.76 1d5g n GLY 92 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.39 -0.02 1.61 -0.21 -1.26 -4.67 119.66 117.50 1d5g s GLN 93 Ca 0.00 -1.65 -0.30 0.00 0.02 0.00 0.00 55.36 53.43 1d5g s GLN 93 Cb 0.00 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 1d5g s GLN 93 CO 0.00 -0.68 1.21 -1.12 -2.12 0.00 0.00 175.29 172.58 1d5g s SER 94 N -4.51 7.05 -0.06 5.90 0.01 -1.26 -4.93 113.70 115.89 1d5g s SER 94 Ca 0.55 1.90 -0.04 0.00 1.31 0.00 0.00 55.95 59.67 1d5g s SER 94 Cb -0.05 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1d5g s SER 94 CO 0.34 -0.56 0.17 1.55 0.41 0.00 0.00 173.24 175.15 1d5g h PRO 95 N 7.30 -0.12 0.00 12.44 0.13 -1.98 -3.54 132.00 146.22 1d5g h PRO 95 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1d5g h PRO 95 Cb 1.18 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d5g h PRO 95 CO 0.86 -0.08 0.00 -2.37 -0.23 0.00 0.00 178.00 176.18