#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 3.42 0.17 -0.52 1.02 -1.26 -4.97 119.74 117.61 1d5g s LYS 2 Ca 0.00 0.84 -0.09 0.00 0.02 0.00 0.00 55.97 56.74 1d5g s LYS 2 Cb 0.00 -2.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1d5g s LYS 2 CO 0.00 -0.71 1.57 -1.00 -0.92 0.00 0.00 175.35 174.29 1d5g h PRO 3 N -0.32 0.96 -2.54 -1.68 0.13 -2.01 -3.22 132.00 123.32 1d5g h PRO 3 Ca -0.44 -0.40 -0.76 0.00 -0.87 0.00 0.00 66.00 63.53 1d5g h PRO 3 Cb 1.20 -0.04 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 1d5g h PRO 3 CO 0.60 1.07 0.57 0.41 -0.23 0.00 0.00 178.00 180.42 1d5g n GLY 4 N -0.16 5.51 3.95 1.56 0.00 -1.26 -4.89 105.19 109.90 1d5g n GLY 4 Ca 0.00 -2.66 -0.28 0.00 0.00 0.00 0.00 46.02 43.08 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 -1.89 3.56 0.34 1.61 -1.08 -1.22 -4.00 116.67 113.98 1d5g s ASP 5 Ca 0.37 0.13 -0.27 0.00 -0.52 0.00 0.00 52.55 52.26 1d5g s ASP 5 Cb 0.13 -0.30 -0.09 0.00 -1.46 0.00 0.00 42.92 41.20 1d5g s ASP 5 CO -0.01 -2.43 1.07 -0.63 0.52 0.00 0.00 175.17 173.69 1d5g s ILE 6 N -3.66 3.62 0.09 4.11 1.01 -1.26 -1.26 121.20 123.86 1d5g s ILE 6 Ca 0.71 1.42 -0.09 0.00 0.00 0.00 0.00 60.65 62.70 1d5g s ILE 6 Cb -0.05 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 1d5g s ILE 6 CO 0.50 0.18 0.20 0.72 0.00 0.00 0.00 174.94 176.54 1d5g s PHE 7 N -1.42 0.17 -0.11 3.97 -0.71 -0.19 -4.90 117.98 114.79 1d5g s PHE 7 Ca 0.51 -0.59 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1d5g s PHE 7 Cb -0.27 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.50 1d5g s PHE 7 CO 0.34 -0.56 -0.12 -1.83 -1.34 0.00 0.00 175.22 171.72 1d5g s GLU 8 N -3.87 1.89 -0.15 1.99 -1.05 -1.26 -0.59 118.70 115.67 1d5g s GLU 8 Ca 0.06 -0.42 -0.05 0.00 -0.15 0.00 0.00 54.97 54.40 1d5g s GLU 8 Cb 0.05 -1.74 -0.04 0.00 -0.44 0.00 0.00 34.13 31.96 1d5g s GLU 8 CO -0.10 -0.16 0.03 0.08 0.95 0.00 0.00 175.26 176.06 1d5g s VAL 9 N 1.29 4.54 -0.21 1.83 1.01 -0.21 -5.00 120.40 123.66 1d5g s VAL 9 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1d5g s VAL 9 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1d5g s VAL 9 CO -0.05 0.51 -0.06 -0.70 0.00 0.00 0.00 175.10 174.80 1d5g s GLU 10 N -0.02 3.37 0.00 2.72 2.12 -1.26 -1.16 118.70 124.47 1d5g s GLU 10 Ca 0.05 -0.64 0.00 0.00 0.36 0.00 0.00 54.97 54.74 1d5g s GLU 10 Cb -0.12 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1d5g s GLU 10 CO 0.01 -0.14 0.00 -0.11 -0.54 0.00 0.00 175.26 174.49 1d5g n LEU 11 N 4.60 0.00 -3.90 2.70 7.94 0.75 -5.01 117.00 124.08 1d5g n LEU 11 Ca -0.18 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.63 1d5g n LEU 11 Cb 0.51 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.42 1d5g n LEU 11 CO 0.29 0.00 0.30 0.00 -1.11 0.00 0.00 177.39 176.88 1d5g s ALA 12 N -2.00 -0.74 -0.52 1.96 0.00 -1.26 -1.50 121.76 117.70 1d5g s ALA 12 Ca 0.00 -0.54 -0.28 0.00 0.00 0.00 0.00 51.96 51.15 1d5g s ALA 12 Cb 0.00 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1d5g s ALA 12 CO 0.00 -0.91 1.66 0.21 0.00 0.00 0.00 175.76 176.72 1d5g s LYS 13 N -3.95 3.09 0.00 0.00 2.20 0.43 -4.86 119.74 116.65 1d5g s LYS 13 Ca 0.16 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1d5g s LYS 13 Cb -0.03 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1d5g s LYS 13 CO 0.06 -2.17 0.00 0.27 -0.36 0.00 0.00 175.35 173.15 1d5g n ASN 14 N 10.79 0.00 -0.02 1.43 0.23 -1.26 -4.86 115.26 121.58 1d5g n ASN 14 Ca 0.18 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 54.02 1d5g n ASN 14 Cb 0.50 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.06 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 0.29 -5.38 0.53 3.32 -1.98 -3.49 116.42 109.72 1d5g h ASP 15 Ca 0.00 -0.81 -0.46 0.00 0.02 0.00 0.00 57.03 55.78 1d5g h ASP 15 Cb 0.00 -0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.32 1d5g h ASP 15 CO 0.00 1.57 -0.51 0.20 -1.72 0.00 0.00 179.24 178.78 1d5g s ASN 16 N -6.95 1.69 -0.04 6.45 0.01 -1.26 -5.03 114.94 109.80 1d5g s ASN 16 Ca -0.21 -1.70 -0.01 0.00 -0.71 0.00 0.00 52.86 50.22 1d5g s ASN 16 Cb 0.04 0.52 -0.00 0.00 0.41 0.00 0.00 41.25 42.22 1d5g s ASN 16 CO 0.73 -1.01 -0.03 0.77 -1.51 0.00 0.00 177.10 176.05 1d5g h SER 17 N 2.14 0.00 0.00 -1.22 4.64 -1.92 -3.40 113.55 113.78 1d5g h SER 17 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1d5g h SER 17 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1d5g h SER 17 CO 0.42 0.22 0.00 0.18 -0.87 0.00 0.00 176.83 176.78 1d5g n LEU 18 N -3.06 0.00 -0.17 5.97 4.77 -1.26 -4.67 117.00 118.58 1d5g n LEU 18 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1d5g n LEU 18 Cb 0.04 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1d5g n LEU 18 CO 0.02 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1d5g n GLY 19 N 2.57 0.60 3.18 -0.72 0.00 -1.26 -1.24 105.19 108.32 1d5g n GLY 19 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.56 0.14 0.06 -0.61 2.07 -1.26 -1.17 121.20 118.87 1d5g s ILE 20 Ca 0.00 -1.15 0.08 0.00 -1.41 0.00 0.00 60.65 58.17 1d5g s ILE 20 Cb 0.00 -1.18 -0.03 0.00 0.13 0.00 0.00 42.46 41.38 1d5g s ILE 20 CO 0.00 -0.63 -0.22 -0.55 -1.91 0.00 0.00 174.94 171.62 1d5g s SER 21 N -2.56 2.67 0.12 4.50 0.15 -0.27 -4.85 113.70 113.46 1d5g s SER 21 Ca 0.01 -0.59 0.10 0.00 0.70 0.00 0.00 55.95 56.17 1d5g s SER 21 Cb 0.03 -0.21 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1d5g s SER 21 CO -0.08 0.16 -0.25 -0.69 1.20 0.00 0.00 173.24 173.58 1d5g s VAL 22 N -0.90 2.04 -0.20 4.45 1.01 -1.26 -0.98 120.40 124.55 1d5g s VAL 22 Ca 0.08 -1.67 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 1d5g s VAL 22 Cb -0.09 -1.82 0.07 0.00 0.00 0.00 0.00 36.38 34.53 1d5g s VAL 22 CO 0.03 0.03 0.07 0.28 0.00 0.00 0.00 175.10 175.51 1d5g s THR 23 N -1.10 0.22 0.00 3.92 -1.32 -0.82 -4.64 115.64 111.90 1d5g s THR 23 Ca 0.11 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1d5g s THR 23 Cb -0.10 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 1d5g s THR 23 CO 0.05 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 1d5g n GLY 24 N 5.16 1.24 2.27 6.08 0.00 -1.26 -4.24 105.19 114.44 1d5g n GLY 24 Ca -0.07 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 0.19 0.00 -0.02 0.00 -1.26 -4.67 105.19 99.43 1d5g n GLY 25 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1d5g n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d5g n VAL 26 N -3.75 0.00 0.00 1.61 0.24 -1.26 -1.65 118.33 113.53 1d5g n VAL 26 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1d5g n VAL 26 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1d5g n VAL 26 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1d5g n ASN 27 N 0.00 0.00 -3.90 -1.34 0.23 -1.26 -3.90 115.26 105.10 1d5g n ASN 27 Ca 0.00 0.01 -0.28 0.00 -0.53 0.00 0.00 54.58 53.78 1d5g n ASN 27 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 1d5g n ASN 27 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1d5g s THR 28 N -0.02 1.12 0.00 5.53 -1.32 -1.26 -2.55 115.64 117.14 1d5g s THR 28 Ca 0.00 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 1d5g s THR 28 Cb 0.00 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.71 1d5g s THR 28 CO 0.00 0.15 0.00 -0.24 -2.21 0.00 0.00 174.62 172.32 1d5g n SER 29 N 4.87 0.00 -0.01 8.08 2.88 -1.26 -4.99 113.62 123.19 1d5g n SER 29 Ca -0.12 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.30 1d5g n SER 29 Cb 0.48 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1d5g n SER 29 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1d5g h VAL 30 N 0.00 1.22 -0.84 2.46 3.04 -1.89 -3.48 116.25 116.77 1d5g h VAL 30 Ca 0.00 -1.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 1d5g h VAL 30 Cb 0.00 2.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1d5g h VAL 30 CO 0.00 0.35 0.00 0.54 -1.01 0.00 0.00 177.57 177.45 1d5g n ARG 31 N -4.79 1.31 -2.28 4.17 5.12 -1.26 -5.04 116.66 113.89 1d5g n ARG 31 Ca -0.08 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.46 1d5g n ARG 31 Cb 0.31 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.58 1d5g n ARG 31 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1d5g s HIS 32 N 0.69 2.00 0.03 -1.55 -3.43 -1.26 -4.32 115.29 107.45 1d5g s HIS 32 Ca 0.00 0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 1d5g s HIS 32 Cb 0.00 -4.34 0.00 0.00 -1.43 0.00 0.00 32.58 26.81 1d5g s HIS 32 CO 0.00 -2.09 0.00 0.41 -2.00 0.00 0.00 174.74 171.06 1d5g n GLY 33 N 5.95 -1.85 0.00 -1.38 0.00 -1.06 -4.55 105.19 102.31 1d5g n GLY 33 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.55 0.85 3.21 -0.02 0.00 -1.26 -4.61 105.19 102.81 1d5g n GLY 34 Ca 0.00 -1.58 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.19 1.57 0.02 -0.61 -1.09 -0.95 -4.21 121.20 113.75 1d5g s ILE 35 Ca 0.00 -0.90 0.07 0.00 -2.23 0.00 0.00 60.65 57.60 1d5g s ILE 35 Cb 0.00 -1.32 -0.02 0.00 -1.58 0.00 0.00 42.46 39.54 1d5g s ILE 35 CO 0.00 0.41 -0.22 -0.47 -1.23 0.00 0.00 174.94 173.43 1d5g s TYR 36 N -0.51 1.94 -0.03 3.97 5.04 -1.26 -1.33 117.35 125.17 1d5g s TYR 36 Ca 0.08 -0.38 -0.23 0.00 -2.44 0.00 0.00 57.07 54.10 1d5g s TYR 36 Cb -0.08 -1.19 -0.05 0.00 0.35 0.00 0.00 41.96 41.00 1d5g s TYR 36 CO -0.00 0.06 0.67 0.08 -1.34 0.00 0.00 175.55 175.01 1d5g s VAL 37 N -0.70 4.96 -0.17 3.14 1.01 -0.96 -1.95 120.40 125.73 1d5g s VAL 37 Ca 0.08 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.24 1d5g s VAL 37 Cb -0.09 -4.01 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 1d5g s VAL 37 CO 0.01 0.33 0.37 0.50 0.00 0.00 0.00 175.10 176.30 1d5g h LYS 38 N 6.22 0.00 -2.19 2.72 3.64 -1.32 -1.66 116.57 123.98 1d5g h LYS 38 Ca -0.43 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1d5g h LYS 38 Cb 1.20 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 1d5g h LYS 38 CO 0.73 0.83 0.47 0.00 -2.27 0.00 0.00 179.45 179.21 1d5g s ALA 39 N -2.36 -1.83 -0.00 5.00 0.00 -1.17 -4.68 121.76 116.72 1d5g s ALA 39 Ca -0.22 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.67 1d5g s ALA 39 Cb 0.02 0.23 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 1d5g s ALA 39 CO 0.55 -0.61 0.47 0.54 0.00 0.00 0.00 175.76 176.71 1d5g s VAL 40 N -2.71 4.97 -0.21 0.00 0.11 -1.26 -1.11 120.40 120.19 1d5g s VAL 40 Ca 0.03 0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 59.81 1d5g s VAL 40 Cb -0.01 -3.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 1d5g s VAL 40 CO -0.06 0.52 0.86 -0.63 -3.33 0.00 0.00 175.10 172.45 1d5g s ILE 41 N -0.72 4.84 -1.53 7.04 -1.09 -0.32 -4.92 121.20 124.49 1d5g s ILE 41 Ca 0.26 1.65 -0.09 0.00 -2.23 0.00 0.00 60.65 60.24 1d5g s ILE 41 Cb -0.17 -4.15 -0.08 0.00 -1.58 0.00 0.00 42.46 36.47 1d5g s ILE 41 CO 0.15 -0.04 2.85 -0.81 -1.23 0.00 0.00 174.94 175.86 1d5g n PRO 42 N 5.70 3.49 -1.54 2.79 -0.04 -1.26 -3.63 135.00 140.50 1d5g n PRO 42 Ca 0.06 -2.10 -0.04 0.00 -0.04 0.00 0.00 63.50 61.37 1d5g n PRO 42 Cb 0.48 -2.76 -0.01 0.00 -0.04 0.00 0.00 33.50 31.18 1d5g n PRO 42 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1d5g n GLN 43 N 3.68 0.42 -3.87 0.54 0.00 -1.26 -5.07 117.38 111.80 1d5g n GLN 43 Ca 0.74 -1.25 0.01 0.00 -0.00 0.00 0.00 57.00 56.50 1d5g n GLN 43 Cb 0.22 0.35 0.01 0.00 0.00 0.00 0.00 30.24 30.82 1d5g n GLN 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1d5g s GLY 44 N -1.24 -0.12 0.28 1.69 0.00 -1.24 -4.83 107.32 101.85 1d5g s GLY 44 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 44.72 44.90 1d5g s GLY 44 CO -0.05 3.34 1.36 0.00 0.00 0.00 0.00 173.10 177.75 1d5g n ALA 45 N -0.74 0.50 -0.37 3.20 0.00 -1.18 -1.99 120.51 119.94 1d5g n ALA 45 Ca -0.01 0.92 -0.03 0.00 0.00 0.00 0.00 53.44 54.33 1d5g n ALA 45 Cb 0.60 -0.71 0.10 0.00 0.00 0.00 0.00 19.45 19.44 1d5g n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d5g h ALA 46 N 1.74 1.24 0.18 0.00 0.00 -1.42 0.15 119.26 121.14 1d5g h ALA 46 Ca 0.56 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 55.04 1d5g h ALA 46 Cb 1.20 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1d5g h ALA 46 CO -0.80 0.66 -1.70 1.49 0.00 0.00 0.00 179.25 178.91 1d5g h GLU 47 N 1.33 0.37 0.60 0.00 4.57 -1.70 -1.07 114.58 118.68 1d5g h GLU 47 Ca 0.35 -0.64 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 1d5g h GLU 47 Cb -0.11 0.24 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1d5g h GLU 47 CO -0.07 1.31 -0.29 0.77 -1.18 0.00 0.00 179.01 179.55 1d5g h SER 48 N 0.04 -0.68 0.93 1.04 0.02 -1.19 -3.06 113.55 110.65 1d5g h SER 48 Ca -0.34 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.46 1d5g h SER 48 Cb 2.04 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.74 1d5g h SER 48 CO 0.16 -0.48 -0.82 -0.78 -1.14 0.00 0.00 176.83 173.78 1d5g h ASP 49 N -0.82 0.00 -2.18 3.07 3.58 -0.91 -3.49 116.42 115.67 1d5g h ASP 49 Ca -0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1d5g h ASP 49 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1d5g h ASP 49 CO 0.14 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.92 1d5g n GLY 50 N 0.97 -0.21 1.85 -0.78 0.00 -0.99 -5.06 105.19 100.96 1d5g n GLY 50 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.48 0.00 -4.38 1.61 5.12 -0.44 -5.02 116.66 113.08 1d5g n ARG 51 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1d5g n ARG 51 Cb 0.11 -0.08 -0.17 0.00 -1.16 0.00 0.00 32.46 31.17 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 -2.00 1.24 0.04 0.55 1.01 -1.24 -5.11 121.20 115.70 1d5g s ILE 52 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.16 1d5g s ILE 52 Cb 0.00 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.30 1d5g s ILE 52 CO 0.00 0.39 0.02 1.41 0.00 0.00 0.00 174.94 176.76 1d5g n HIS 53 N 4.22 -0.03 -1.68 3.97 8.25 -1.26 -4.67 115.22 124.02 1d5g n HIS 53 Ca -0.19 -0.32 -0.45 0.00 -0.26 0.00 0.00 57.72 56.50 1d5g n HIS 53 Cb 0.51 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 1d5g n HIS 53 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1d5g n LYS 54 N -0.09 2.35 -1.29 -0.41 4.81 -1.26 -2.90 118.16 119.37 1d5g n LYS 54 Ca -0.00 0.85 -0.04 0.00 -0.87 0.00 0.00 58.31 58.25 1d5g n LYS 54 Cb 0.07 -2.65 -0.01 0.00 0.02 0.00 0.00 35.03 32.45 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 3.68 0.60 3.87 3.14 0.00 -0.63 -4.94 105.19 110.91 1d5g n GLY 55 Ca 0.17 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.93 6.30 -0.19 1.61 1.01 -1.14 -3.95 116.67 117.37 1d5g s ASP 56 Ca 0.00 1.35 0.01 0.00 0.71 0.00 0.00 52.55 54.63 1d5g s ASP 56 Cb 0.00 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.53 1d5g s ASP 56 CO 0.00 -0.77 -0.14 -0.60 0.21 0.00 0.00 175.17 173.87 1d5g s ARG 57 N -4.90 2.42 -0.13 8.23 3.52 -0.75 -2.26 118.95 125.08 1d5g s ARG 57 Ca 0.54 -0.88 -0.06 0.00 -0.13 0.00 0.00 55.73 55.20 1d5g s ARG 57 Cb -0.11 -2.49 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 1d5g s ARG 57 CO 0.48 -0.35 0.11 0.14 -0.81 0.00 0.00 175.30 174.87 1d5g s VAL 58 N 1.33 5.23 0.00 7.11 -7.23 -0.44 -0.23 120.40 126.17 1d5g s VAL 58 Ca 0.01 0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 1d5g s VAL 58 Cb -0.15 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.51 1d5g s VAL 58 CO -0.10 0.59 0.00 -0.11 -0.31 0.00 0.00 175.10 175.17 1d5g n LEU 59 N 2.30 0.00 -4.74 1.32 7.94 0.00 -2.24 117.00 121.59 1d5g n LEU 59 Ca -0.19 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.32 1d5g n LEU 59 Cb 0.54 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.44 1d5g n LEU 59 CO 0.32 0.00 0.37 0.00 -1.11 0.00 0.00 177.39 176.97 1d5g s ALA 60 N -2.00 3.39 -0.67 1.96 0.00 -1.12 -3.96 121.76 119.35 1d5g s ALA 60 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 1d5g s ALA 60 Cb 0.00 -2.89 0.17 0.00 0.00 0.00 0.00 23.12 20.40 1d5g s ALA 60 CO 0.00 0.01 0.58 0.54 0.00 0.00 0.00 175.76 176.90 1d5g s VAL 61 N 0.32 4.93 -1.19 0.00 0.11 0.15 -1.58 120.40 123.14 1d5g s VAL 61 Ca 0.35 -2.27 -0.05 0.00 -2.93 0.00 0.00 61.98 57.09 1d5g s VAL 61 Cb -0.18 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 1d5g s VAL 61 CO 0.19 -0.93 0.84 -3.20 -3.33 0.00 0.00 175.10 168.67 1d5g n ASN 62 N 4.28 -3.42 0.00 3.54 5.15 -0.19 -3.23 115.26 121.39 1d5g n ASN 62 Ca 0.04 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1d5g n ASN 62 Cb 0.43 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 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 -1.40 2.93 3.71 8.20 0.00 -1.26 -5.02 105.19 112.33 1d5g n GLY 63 Ca -0.21 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1d5g n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d5g s VAL 64 N -0.38 5.01 0.58 1.61 1.01 -1.20 -4.89 120.40 122.14 1d5g s VAL 64 Ca 0.00 1.49 -0.14 0.00 0.00 0.00 0.00 61.98 63.33 1d5g s VAL 64 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1d5g s VAL 64 CO 0.00 0.20 1.02 -0.55 0.00 0.00 0.00 175.10 175.78 1d5g s SER 65 N 0.89 6.20 0.02 3.32 0.15 -1.26 -0.67 113.70 122.35 1d5g s SER 65 Ca 0.38 1.58 0.22 0.00 0.70 0.00 0.00 55.95 58.83 1d5g s SER 65 Cb -0.18 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1d5g s SER 65 CO 0.17 -0.89 0.95 0.00 1.20 0.00 0.00 173.24 174.68 1d5g n LEU 66 N -2.20 0.62 -4.71 3.45 -0.00 -1.25 -4.91 117.00 108.00 1d5g n LEU 66 Ca 0.07 -0.14 -0.42 0.00 -0.00 0.00 0.00 56.01 55.52 1d5g n LEU 66 Cb 0.54 -0.07 -0.03 0.00 -0.00 0.00 0.00 43.42 43.86 1d5g n LEU 66 CO 0.51 0.09 1.19 -1.83 -0.00 0.00 0.00 177.39 177.36 1d5g s GLU 67 N -3.18 4.25 0.00 1.47 -1.05 -1.26 -2.25 118.70 116.68 1d5g s GLU 67 Ca 0.04 2.23 0.00 0.00 -0.15 0.00 0.00 54.97 57.09 1d5g s GLU 67 Cb 0.15 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 1d5g s GLU 67 CO 0.83 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.86 1d5g n GLY 68 N 3.72 3.25 3.82 -3.83 0.00 -1.26 -5.01 105.19 105.89 1d5g n GLY 68 Ca 0.14 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1d5g n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g s ALA 69 N 0.00 2.98 0.67 4.61 0.00 -0.96 -5.00 121.76 124.07 1d5g s ALA 69 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1d5g s ALA 69 Cb 0.00 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 20.07 1d5g s ALA 69 CO 0.00 -0.19 0.89 0.25 0.00 0.00 0.00 175.76 176.71 1d5g n THR 70 N -1.16 0.00 -0.32 0.00 -2.24 -1.26 -4.87 114.28 104.42 1d5g n THR 70 Ca 0.08 -1.57 0.18 0.00 -2.27 0.00 0.00 64.05 60.47 1d5g n THR 70 Cb 0.54 -0.83 0.43 0.00 -2.10 0.00 0.00 70.33 68.37 1d5g n THR 70 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1d5g h HIS 71 N -0.42 0.82 -0.44 4.78 2.76 -1.58 -1.22 115.15 119.86 1d5g h HIS 71 Ca -0.30 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 57.95 1d5g h HIS 71 Cb 1.15 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.83 1d5g h HIS 71 CO 0.00 0.13 0.17 -0.22 -1.30 0.00 0.00 177.93 176.71 1d5g h LYS 72 N 0.54 0.35 0.05 5.26 1.63 -1.94 -1.08 116.57 121.37 1d5g h LYS 72 Ca 0.58 -0.02 -0.24 0.00 -0.85 0.00 0.00 60.65 60.12 1d5g h LYS 72 Cb 1.23 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1d5g h LYS 72 CO -0.33 0.23 -1.05 0.37 -3.45 0.00 0.00 179.45 175.21 1d5g h GLN 73 N 0.36 0.29 -0.05 1.90 5.75 -1.77 -3.19 115.11 118.39 1d5g h GLN 73 Ca 0.20 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.32 1d5g h GLN 73 Cb 0.17 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1d5g h GLN 73 CO -0.18 1.11 0.03 0.00 -2.65 0.00 0.00 178.83 177.14 1d5g h ALA 74 N 0.74 0.07 0.00 3.38 0.00 -1.08 -1.66 119.26 120.70 1d5g h ALA 74 Ca -0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1d5g h ALA 74 Cb 1.73 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1d5g h ALA 74 CO 0.17 -0.44 -0.37 -0.24 0.00 0.00 0.00 179.25 178.37 1d5g h VAL 75 N 0.07 1.20 -0.29 0.00 3.04 -1.27 0.19 116.25 119.19 1d5g h VAL 75 Ca 0.02 -1.30 -0.17 0.00 -1.01 0.00 0.00 66.70 64.24 1d5g h VAL 75 Cb -0.01 1.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1d5g h VAL 75 CO -0.00 0.36 -0.49 -0.08 -1.01 0.00 0.00 177.57 176.36 1d5g h GLU 76 N 0.00 0.79 -0.42 4.17 4.81 -1.53 -2.56 114.58 119.84 1d5g h GLU 76 Ca -0.00 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1d5g h GLU 76 Cb 0.69 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1d5g h GLU 76 CO 0.05 1.10 0.03 1.15 -0.73 0.00 0.00 179.01 180.60 1d5g h THR 77 N 0.62 1.25 0.08 0.32 2.02 -0.52 -3.24 112.91 113.44 1d5g h THR 77 Ca 0.03 -0.96 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 1d5g h THR 77 Cb 1.06 1.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1d5g h THR 77 CO 0.11 0.33 -0.46 0.25 0.37 0.00 0.00 175.52 176.11 1d5g h LEU 78 N 0.56 0.27 -1.42 2.58 6.46 -1.05 -3.36 115.31 119.36 1d5g h LEU 78 Ca 0.12 -0.96 0.03 0.00 -0.12 0.00 0.00 57.88 56.95 1d5g h LEU 78 Cb 0.44 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1d5g h LEU 78 CO 0.02 1.21 0.41 0.03 -0.62 0.00 0.00 178.44 179.49 1d5g h ARG 79 N -0.62 0.74 -2.33 1.25 3.08 -1.58 -3.07 114.38 111.86 1d5g h ARG 79 Ca -0.08 -0.04 -0.67 0.00 0.07 0.00 0.00 59.98 59.26 1d5g h ARG 79 Cb 1.35 -0.17 -0.17 0.00 0.08 0.00 0.00 29.97 31.07 1d5g h ARG 79 CO 0.09 0.49 1.50 0.09 -1.07 0.00 0.00 179.97 181.06 1d5g n ASN 80 N -4.46 7.41 -0.00 7.04 3.02 -1.22 -4.21 115.26 122.84 1d5g n ASN 80 Ca 0.07 -3.27 -0.00 0.00 -0.03 0.00 0.00 54.58 51.35 1d5g n ASN 80 Cb 0.11 -1.28 -0.00 0.00 -0.61 0.00 0.00 39.78 38.00 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 1.10 0.10 0.00 3.41 -2.24 -1.16 -5.00 114.28 110.49 1d5g n THR 81 Ca 0.56 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.59 1d5g n THR 81 Cb 0.35 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 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 2.49 1.39 0.11 3.38 0.00 -1.26 -4.85 105.19 106.44 1d5g n GLY 82 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 0.25 -6.15 1.61 4.15 -1.98 -3.43 115.11 109.56 1d5g h GLN 83 Ca 0.00 -0.43 -0.56 0.00 0.77 0.00 0.00 58.65 58.43 1d5g h GLN 83 Cb 0.00 0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.80 1d5g h GLN 83 CO 0.00 1.21 -0.53 0.14 -1.93 0.00 0.00 178.83 177.71 1d5g s VAL 84 N -2.41 4.73 -0.18 2.39 -7.23 -1.26 -0.43 120.40 116.00 1d5g s VAL 84 Ca -0.15 -0.98 -0.01 0.00 -1.81 0.00 0.00 61.98 59.02 1d5g s VAL 84 Cb 0.01 -3.43 0.05 0.00 0.56 0.00 0.00 36.38 33.57 1d5g s VAL 84 CO 0.80 -0.11 -0.02 -0.69 -0.31 0.00 0.00 175.10 174.76 1d5g s VAL 85 N -1.76 1.00 -0.14 1.32 1.01 -0.56 -4.87 120.40 116.39 1d5g s VAL 85 Ca 0.32 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1d5g s VAL 85 Cb -0.10 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1d5g s VAL 85 CO 0.25 -0.01 -0.08 -2.28 0.00 0.00 0.00 175.10 172.98 1d5g s HIS 86 N 1.66 1.71 0.10 5.22 2.46 -1.26 -0.18 115.29 125.00 1d5g s HIS 86 Ca -0.01 -0.98 -0.10 0.00 0.47 0.00 0.00 55.06 54.44 1d5g s HIS 86 Cb -0.16 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.96 1d5g s HIS 86 CO -0.07 -0.59 0.23 -0.48 -2.47 0.00 0.00 174.74 171.36 1d5g s LEU 87 N 1.63 1.21 -0.11 8.88 2.34 -0.31 -1.02 118.68 131.30 1d5g s LEU 87 Ca 0.03 -0.62 0.03 0.00 0.06 0.00 0.00 54.13 53.63 1d5g s LEU 87 Cb -0.14 1.18 0.01 0.00 -0.56 0.00 0.00 46.19 46.68 1d5g s LEU 87 CO -0.08 -0.77 -0.22 -0.76 -1.06 0.00 0.00 176.35 173.46 1d5g s LEU 88 N -2.86 2.05 0.24 1.48 1.02 -0.62 -1.04 118.68 118.95 1d5g s LEU 88 Ca 0.06 -0.55 0.10 0.00 0.02 0.00 0.00 54.13 53.76 1d5g s LEU 88 Cb 0.04 -1.37 -0.05 0.00 0.02 0.00 0.00 46.19 44.83 1d5g s LEU 88 CO -0.10 0.12 -0.18 -0.76 0.02 0.00 0.00 176.35 175.45 1d5g s LEU 89 N 0.56 2.56 -0.18 1.79 1.02 0.25 -0.82 118.68 123.87 1d5g s LEU 89 Ca -0.14 -1.01 -0.04 0.00 0.02 0.00 0.00 54.13 52.96 1d5g s LEU 89 Cb -0.17 -0.92 -0.02 0.00 0.02 0.00 0.00 46.19 45.10 1d5g s LEU 89 CO 0.04 -0.04 -0.02 -0.70 0.02 0.00 0.00 176.35 175.64 1d5g s GLU 90 N -3.50 3.63 0.25 1.70 2.12 0.68 -1.02 118.70 122.56 1d5g s GLU 90 Ca 0.26 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1d5g s GLU 90 Cb -0.03 -2.98 -0.09 0.00 0.26 0.00 0.00 34.13 31.28 1d5g s GLU 90 CO 0.11 0.13 1.28 0.21 -0.54 0.00 0.00 175.26 176.45 1d5g s LYS 91 N 0.67 4.42 0.33 4.30 2.20 -0.39 -1.81 119.74 129.46 1d5g s LYS 91 Ca -0.01 2.07 -0.19 0.00 -0.36 0.00 0.00 55.97 57.48 1d5g s LYS 91 Cb -0.14 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 1d5g s LYS 91 CO 0.02 -0.16 0.82 0.20 -0.36 0.00 0.00 175.35 175.87 1d5g s GLY 92 N -0.11 2.46 -0.14 5.54 0.00 -1.25 -4.34 107.32 109.48 1d5g s GLY 92 Ca 0.52 0.22 -0.23 0.00 0.00 0.00 0.00 44.72 45.24 1d5g s GLY 92 CO 0.43 0.51 0.70 1.20 0.00 0.00 0.00 173.10 175.94 1d5g s GLN 93 N -2.71 4.32 0.48 2.90 -0.21 -1.26 -4.85 119.66 118.33 1d5g s GLN 93 Ca 0.54 0.81 -0.20 0.00 0.02 0.00 0.00 55.36 56.53 1d5g s GLN 93 Cb -0.12 -3.52 -0.09 0.00 1.00 0.00 0.00 33.01 30.28 1d5g s GLN 93 CO 0.18 -0.13 1.00 0.45 -2.12 0.00 0.00 175.29 174.67 1d5g s SER 94 N 1.02 6.53 1.21 5.90 0.15 -1.26 -5.03 113.70 122.22 1d5g s SER 94 Ca 0.34 1.79 -0.18 0.00 0.70 0.00 0.00 55.95 58.60 1d5g s SER 94 Cb -0.17 -2.54 0.29 0.00 -1.71 0.00 0.00 66.02 61.89 1d5g s SER 94 CO 0.14 -0.65 1.06 -2.84 1.20 0.00 0.00 173.24 172.15 1d5g s PRO 95 N -3.40 -1.29 0.00 5.44 0.02 -1.26 -5.24 135.00 129.27 1d5g s PRO 95 Ca 0.64 0.18 0.00 0.00 0.02 0.00 0.00 61.00 61.84 1d5g s PRO 95 Cb -0.13 -1.57 0.00 0.00 0.02 0.00 0.00 34.50 32.82 1d5g s PRO 95 CO 0.21 -3.81 0.40 -2.37 -0.33 0.00 0.00 177.00 171.10