#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 3.57 0.44 -0.52 -2.85 -1.26 -5.01 119.74 114.11 1d5g s LYS 2 Ca 0.00 -0.08 0.24 0.00 -1.00 0.00 0.00 55.97 55.13 1d5g s LYS 2 Cb 0.00 -2.62 0.56 0.00 -2.06 0.00 0.00 37.83 33.71 1d5g s LYS 2 CO 0.00 0.14 1.68 -1.00 0.10 0.00 0.00 175.35 176.27 1d5g h PRO 3 N 1.20 0.00 -2.86 1.78 0.13 -2.04 -3.29 132.00 126.93 1d5g h PRO 3 Ca -0.48 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.89 1d5g h PRO 3 Cb 1.20 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.16 1d5g h PRO 3 CO 0.64 0.11 1.95 0.41 -0.23 0.00 0.00 178.00 180.88 1d5g n GLY 4 N 0.81 5.21 3.92 1.56 0.00 -1.26 -4.98 105.19 110.45 1d5g n GLY 4 Ca 0.03 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 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 0.04 4.46 -0.09 1.61 1.47 -1.24 -4.53 116.67 118.39 1d5g s ASP 5 Ca 0.45 0.58 -0.20 0.00 1.18 0.00 0.00 52.55 54.56 1d5g s ASP 5 Cb 0.15 -1.08 -0.04 0.00 -0.34 0.00 0.00 42.92 41.61 1d5g s ASP 5 CO -0.05 -1.89 0.57 -0.63 0.68 0.00 0.00 175.17 173.85 1d5g s ILE 6 N -3.49 5.11 0.22 2.11 1.09 -1.26 -1.04 121.20 123.94 1d5g s ILE 6 Ca 0.63 1.16 0.02 0.00 -1.10 0.00 0.00 60.65 61.36 1d5g s ILE 6 Cb -0.10 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.34 1d5g s ILE 6 CO 0.48 0.31 0.03 0.72 -0.10 0.00 0.00 174.94 176.38 1d5g s PHE 7 N 0.62 1.41 -0.04 3.97 -0.71 -0.10 -5.00 117.98 118.14 1d5g s PHE 7 Ca 0.31 -1.05 0.05 0.00 -1.04 0.00 0.00 56.93 55.20 1d5g s PHE 7 Cb -0.16 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.82 1d5g s PHE 7 CO 0.14 -0.21 -0.19 -1.83 -1.34 0.00 0.00 175.22 171.80 1d5g s GLU 8 N -3.94 1.79 -0.14 1.99 -1.05 -1.26 -1.42 118.70 114.67 1d5g s GLU 8 Ca 0.30 -0.66 -0.07 0.00 -0.15 0.00 0.00 54.97 54.39 1d5g s GLU 8 Cb 0.07 -1.60 -0.04 0.00 -0.44 0.00 0.00 34.13 32.12 1d5g s GLU 8 CO 0.08 0.31 0.10 0.14 0.95 0.00 0.00 175.26 176.84 1d5g s VAL 9 N -0.13 5.11 -0.51 1.83 -7.23 -0.32 -4.97 120.40 114.18 1d5g s VAL 9 Ca -0.00 0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.27 1d5g s VAL 9 Cb -0.10 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.72 1d5g s VAL 9 CO 0.01 0.54 0.30 -1.61 -0.31 0.00 0.00 175.10 174.04 1d5g s GLU 10 N -0.39 1.67 0.17 4.82 2.02 -1.26 -2.12 118.70 123.61 1d5g s GLU 10 Ca 0.10 -2.43 0.03 0.00 0.02 0.00 0.00 54.97 52.69 1d5g s GLU 10 Cb -0.12 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 1d5g s GLU 10 CO 0.02 -1.19 0.09 -0.11 0.02 0.00 0.00 175.26 174.09 1d5g n LEU 11 N 3.08 0.00 -4.28 1.80 7.94 -0.35 -5.04 117.00 120.15 1d5g n LEU 11 Ca 0.11 -1.43 -0.15 0.00 -1.11 0.00 0.00 56.01 53.43 1d5g n LEU 11 Cb 0.35 0.59 -0.10 0.00 0.53 0.00 0.00 43.42 44.79 1d5g n LEU 11 CO 0.26 -0.23 -0.32 0.00 -1.11 0.00 0.00 177.39 176.00 1d5g s ALA 12 N -2.55 1.55 -0.09 1.96 0.00 -1.26 -1.03 121.76 120.33 1d5g s ALA 12 Ca 0.13 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1d5g s ALA 12 Cb 0.01 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1d5g s ALA 12 CO 0.09 -0.32 1.40 0.21 0.00 0.00 0.00 175.76 177.14 1d5g s LYS 13 N -3.92 4.24 0.00 0.00 2.20 0.59 -4.78 119.74 118.07 1d5g s LYS 13 Ca 0.28 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1d5g s LYS 13 Cb 0.06 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1d5g s LYS 13 CO 0.07 -0.70 0.00 0.27 -0.36 0.00 0.00 175.35 174.63 1d5g n ASN 14 N 6.40 0.00 0.09 1.43 0.23 -1.26 -4.87 115.26 117.28 1d5g n ASN 14 Ca 0.14 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.97 1d5g n ASN 14 Cb 0.44 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.00 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 0.73 -5.28 0.53 3.32 -2.02 -3.48 116.42 110.23 1d5g h ASP 15 Ca 0.00 -0.88 -0.13 0.00 0.02 0.00 0.00 57.03 56.04 1d5g h ASP 15 Cb 0.00 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 39.17 1d5g h ASP 15 CO 0.00 1.55 -0.64 0.21 -1.72 0.00 0.00 179.24 178.64 1d5g s ASN 16 N -7.29 0.40 -0.02 6.45 3.84 -1.26 -5.06 114.94 112.01 1d5g s ASN 16 Ca -0.11 -1.02 -0.01 0.00 0.21 0.00 0.00 52.86 51.94 1d5g s ASN 16 Cb 0.04 0.24 -0.00 0.00 -0.55 0.00 0.00 41.25 40.98 1d5g s ASN 16 CO 0.90 -0.65 -0.01 0.28 -2.79 0.00 0.00 177.10 174.83 1d5g h SER 17 N 3.03 0.00 0.00 -4.21 0.02 -1.93 -3.39 113.55 107.06 1d5g h SER 17 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1d5g h SER 17 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1d5g h SER 17 CO 0.63 0.10 0.00 0.18 -1.14 0.00 0.00 176.83 176.59 1d5g n LEU 18 N -2.52 0.00 -0.78 5.07 4.32 -1.26 -4.86 117.00 116.98 1d5g n LEU 18 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1d5g n LEU 18 Cb 0.01 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 1d5g n LEU 18 CO 0.01 -0.04 0.00 0.61 -1.22 0.00 0.00 177.39 176.74 1d5g n GLY 19 N 2.55 0.47 2.87 -0.72 0.00 -1.26 -3.10 105.19 106.00 1d5g n GLY 19 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1d5g n GLY 19 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1d5g n ILE 20 N -0.78 0.00 -4.64 -0.61 3.06 -1.26 -3.98 119.36 111.15 1d5g n ILE 20 Ca 0.00 -2.15 -0.23 0.00 -2.50 0.00 0.00 62.75 57.86 1d5g n ILE 20 Cb 0.38 1.03 -0.15 0.00 0.54 0.00 0.00 39.64 41.44 1d5g n ILE 20 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1d5g s SER 21 N -3.09 1.99 0.18 9.51 1.04 -0.56 -4.86 113.70 117.91 1d5g s SER 21 Ca 0.33 -0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.46 1d5g s SER 21 Cb 0.02 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 1d5g s SER 21 CO 0.23 0.15 -0.19 -0.69 0.98 0.00 0.00 173.24 173.72 1d5g s VAL 22 N -0.59 1.97 0.00 5.02 1.01 -1.26 -1.16 120.40 125.40 1d5g s VAL 22 Ca 0.05 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 60.04 1d5g s VAL 22 Cb -0.07 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1d5g s VAL 22 CO 0.00 -0.31 -0.04 0.28 0.00 0.00 0.00 175.10 175.03 1d5g s THR 23 N -2.09 0.33 0.05 3.92 -1.32 -0.42 -4.72 115.64 111.39 1d5g s THR 23 Ca 0.18 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1d5g s THR 23 Cb -0.06 -0.31 0.00 0.00 -1.51 0.00 0.00 72.50 70.62 1d5g s THR 23 CO 0.08 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 1d5g n GLY 24 N 2.70 -2.03 0.00 6.08 0.00 -1.26 -2.71 105.19 107.97 1d5g n GLY 24 Ca -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.06 0.91 3.93 -0.02 0.00 -1.26 -4.59 105.19 103.10 1d5g n GLY 25 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.37 2.01 0.25 1.61 1.01 -1.26 -0.09 120.40 122.56 1d5g s VAL 26 Ca 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 61.98 62.18 1d5g s VAL 26 Cb 0.00 -2.97 0.23 0.00 0.00 0.00 0.00 36.38 33.64 1d5g s VAL 26 CO 0.00 0.00 1.90 -0.55 0.00 0.00 0.00 175.10 176.45 1d5g h ASN 27 N -1.47 0.00 -3.63 3.32 7.08 -1.91 -3.31 115.58 115.66 1d5g h ASN 27 Ca -0.44 0.00 -0.38 0.00 -3.08 0.00 0.00 56.30 52.40 1d5g h ASN 27 Cb 1.25 0.00 -0.32 0.00 -2.08 0.00 0.00 38.32 37.17 1d5g h ASN 27 CO 0.43 0.22 -0.76 0.28 -2.08 0.00 0.00 177.43 175.51 1d5g s THR 28 N -3.86 0.47 0.00 6.14 -1.32 -1.26 -4.04 115.64 111.77 1d5g s THR 28 Ca -0.01 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1d5g s THR 28 Cb 0.12 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 1d5g s THR 28 CO 0.63 0.18 0.00 -1.54 -2.21 0.00 0.00 174.62 171.68 1d5g n SER 29 N 3.66 0.00 -0.07 8.08 3.41 -1.25 -4.96 113.62 122.49 1d5g n SER 29 Ca -0.22 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.19 1d5g n SER 29 Cb 0.53 0.00 -0.12 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 1.01 -1.24 -3.33 3.04 -1.85 -3.48 116.25 110.40 1d5g h VAL 30 Ca 0.00 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1d5g h VAL 30 Cb 0.00 2.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 1d5g h VAL 30 CO 0.00 0.47 0.00 0.54 -1.01 0.00 0.00 177.57 177.57 1d5g n ARG 31 N -4.28 2.20 -1.90 4.17 5.12 -1.26 -5.00 116.66 115.70 1d5g n ARG 31 Ca -0.28 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.21 1d5g n ARG 31 Cb 0.73 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.03 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 3.42 0.00 -1.55 1.44 -1.26 -4.53 115.22 112.74 1d5g n HIS 32 Ca 0.00 -2.93 0.00 0.00 -2.01 0.00 0.00 57.72 52.78 1d5g n HIS 32 Cb 0.00 -2.41 0.00 0.00 0.12 0.00 0.00 29.99 27.70 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 3.81 -0.34 0.00 -1.39 0.00 -1.26 -1.18 105.19 104.83 1d5g n GLY 33 Ca 0.49 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.14 0.46 3.24 -0.02 0.00 -1.26 -4.27 105.19 103.20 1d5g n GLY 34 Ca 0.00 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.90 1.47 -0.02 -0.61 -1.09 -0.77 -4.19 121.20 115.10 1d5g s ILE 35 Ca 0.00 -1.41 0.06 0.00 -2.23 0.00 0.00 60.65 57.07 1d5g s ILE 35 Cb 0.00 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.51 1d5g s ILE 35 CO 0.00 -0.09 -0.19 -0.47 -1.23 0.00 0.00 174.94 172.95 1d5g s TYR 36 N -1.16 1.77 -0.10 3.97 5.04 -1.10 -0.89 117.35 124.87 1d5g s TYR 36 Ca 0.03 -0.35 -0.28 0.00 -2.44 0.00 0.00 57.07 54.03 1d5g s TYR 36 Cb -0.10 -1.14 -0.02 0.00 0.35 0.00 0.00 41.96 41.05 1d5g s TYR 36 CO 0.03 -0.05 0.92 0.08 -1.34 0.00 0.00 175.55 175.20 1d5g s VAL 37 N -0.41 4.85 0.00 3.14 1.01 -0.16 -1.30 120.40 127.53 1d5g s VAL 37 Ca 0.06 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1d5g s VAL 37 Cb -0.08 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1d5g s VAL 37 CO -0.00 0.06 0.00 1.17 0.00 0.00 0.00 175.10 176.33 1d5g n LYS 38 N 4.77 0.00 -3.53 2.72 4.81 -0.31 -1.54 118.16 125.08 1d5g n LYS 38 Ca 0.06 0.31 -0.11 0.00 -0.87 0.00 0.00 58.31 57.69 1d5g n LYS 38 Cb 0.49 -0.80 -0.03 0.00 0.02 0.00 0.00 35.03 34.71 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 -3.02 -1.26 -0.16 3.14 0.00 -1.13 -4.23 121.76 115.10 1d5g s ALA 39 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 1d5g s ALA 39 Cb 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1d5g s ALA 39 CO 0.00 -0.70 0.07 0.54 0.00 0.00 0.00 175.76 175.67 1d5g s VAL 40 N -3.77 4.91 -0.25 0.00 0.11 -1.26 -1.50 120.40 118.64 1d5g s VAL 40 Ca 0.02 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.82 1d5g s VAL 40 Cb 0.00 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 1d5g s VAL 40 CO -0.12 0.50 0.89 -0.63 -3.33 0.00 0.00 175.10 172.40 1d5g s ILE 41 N 0.01 4.77 -1.44 7.04 -1.09 -1.26 -4.96 121.20 124.29 1d5g s ILE 41 Ca 0.07 1.64 -0.09 0.00 -2.23 0.00 0.00 60.65 60.03 1d5g s ILE 41 Cb -0.12 -4.18 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1d5g s ILE 41 CO 0.01 -0.15 2.98 -0.81 -1.23 0.00 0.00 174.94 175.74 1d5g n PRO 42 N 6.16 3.62 0.00 2.79 -0.04 -1.26 -3.76 135.00 142.51 1d5g n PRO 42 Ca 0.07 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1d5g n PRO 42 Cb 0.47 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.28 0.00 -1.86 0.54 6.02 -1.26 -5.08 117.38 119.02 1d5g n GLN 43 Ca 0.74 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.71 1d5g n GLN 43 Cb 0.30 -0.45 0.01 0.00 1.02 0.00 0.00 30.24 31.12 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 1.54 0.35 1.08 0.00 -1.25 -5.05 105.19 101.87 1d5g n GLY 44 Ca 0.00 -1.05 0.05 0.00 0.00 0.00 0.00 46.02 45.02 1d5g n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5g n ALA 45 N -2.34 0.18 -0.22 4.61 0.00 -1.26 -1.28 120.51 120.20 1d5g n ALA 45 Ca -0.04 1.05 0.01 0.00 0.00 0.00 0.00 53.44 54.46 1d5g n ALA 45 Cb 0.16 -0.61 0.13 0.00 0.00 0.00 0.00 19.45 19.14 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 1.84 0.86 0.00 0.00 0.00 -1.78 0.11 119.26 120.29 1d5g h ALA 46 Ca 0.44 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1d5g h ALA 46 Cb 0.69 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1d5g h ALA 46 CO -0.99 -0.19 -0.06 1.49 0.00 0.00 0.00 179.25 179.49 1d5g h GLU 47 N 0.42 0.00 -0.72 0.00 4.22 -1.61 -2.97 114.58 113.91 1d5g h GLU 47 Ca 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.75 1d5g h GLU 47 Cb 0.45 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1d5g h GLU 47 CO -0.34 0.73 0.32 0.77 -2.18 0.00 0.00 179.01 178.32 1d5g h SER 48 N -1.00 0.95 0.00 1.04 0.02 -1.04 -3.10 113.55 110.42 1d5g h SER 48 Ca -0.02 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1d5g h SER 48 Cb 0.76 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1d5g h SER 48 CO -0.01 0.82 -0.36 -0.78 -1.14 0.00 0.00 176.83 175.37 1d5g h ASP 49 N 1.03 0.00 -1.26 3.07 3.58 -1.18 -3.50 116.42 118.17 1d5g h ASP 49 Ca 0.25 -0.63 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1d5g h ASP 49 Cb 0.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1d5g h ASP 49 CO -0.03 1.02 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 1d5g n GLY 50 N 1.59 -0.59 0.00 -0.78 0.00 -1.12 -5.08 105.19 99.21 1d5g n GLY 50 Ca -0.14 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.11 4.70 -4.22 1.61 0.63 -1.24 -5.08 116.66 112.95 1d5g n ARG 51 Ca 0.00 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.73 1d5g n ARG 51 Cb 0.00 -0.53 -0.12 0.00 0.45 0.00 0.00 32.46 32.26 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 -0.27 1.26 0.44 5.15 1.09 -1.26 -5.08 121.20 122.53 1d5g s ILE 52 Ca 0.00 -1.34 0.05 0.00 -1.10 0.00 0.00 60.65 58.27 1d5g s ILE 52 Cb 0.00 -1.19 -0.06 0.00 -1.06 0.00 0.00 42.46 40.15 1d5g s ILE 52 CO 0.00 -0.16 0.02 -1.38 -0.10 0.00 0.00 174.94 173.32 1d5g s HIS 53 N -1.21 2.32 0.33 3.97 -3.43 -1.26 -4.91 115.29 111.10 1d5g s HIS 53 Ca 0.00 -0.75 -0.29 0.00 -0.80 0.00 0.00 55.06 53.22 1d5g s HIS 53 Cb -0.10 -1.74 -0.12 0.00 -1.43 0.00 0.00 32.58 29.19 1d5g s HIS 53 CO 0.03 0.36 1.37 0.36 -2.00 0.00 0.00 174.74 174.86 1d5g n LYS 54 N -1.08 2.25 -1.34 -0.38 2.85 -1.26 -3.39 118.16 115.81 1d5g n LYS 54 Ca -0.09 0.79 -0.05 0.00 -1.05 0.00 0.00 58.31 57.91 1d5g n LYS 54 Cb 0.67 -2.43 -0.02 0.00 -0.65 0.00 0.00 35.03 32.61 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 1.06 0.63 3.90 2.58 0.00 -0.59 -4.74 105.19 108.04 1d5g n GLY 55 Ca 0.06 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1d5g n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d5g s ASP 56 N -2.91 5.21 -0.28 1.61 -1.08 -1.22 -4.02 116.67 113.97 1d5g s ASP 56 Ca 0.00 0.84 0.02 0.00 -0.52 0.00 0.00 52.55 52.89 1d5g s ASP 56 Cb 0.00 -1.61 0.08 0.00 -1.46 0.00 0.00 42.92 39.93 1d5g s ASP 56 CO 0.00 -1.41 -0.01 -0.60 0.52 0.00 0.00 175.17 173.67 1d5g s ARG 57 N -5.28 1.53 0.03 4.34 3.52 -1.07 -0.99 118.95 121.02 1d5g s ARG 57 Ca 0.58 -1.32 -0.13 0.00 -0.13 0.00 0.00 55.73 54.73 1d5g s ARG 57 Cb -0.11 -2.73 -0.06 0.00 -1.56 0.00 0.00 34.95 30.50 1d5g s ARG 57 CO 0.48 -0.76 0.40 0.14 -0.81 0.00 0.00 175.30 174.75 1d5g s VAL 58 N 1.24 5.06 0.00 7.11 -7.23 -0.07 -0.37 120.40 126.14 1d5g s VAL 58 Ca 0.01 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1d5g s VAL 58 Cb -0.19 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.07 1d5g s VAL 58 CO -0.10 0.48 0.00 0.18 -0.31 0.00 0.00 175.10 175.35 1d5g n LEU 59 N 1.50 0.00 -4.89 1.32 4.77 0.10 -1.85 117.00 117.95 1d5g n LEU 59 Ca -0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 1d5g n LEU 59 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1d5g n LEU 59 CO 0.39 0.00 0.26 0.00 -1.33 0.00 0.00 177.39 176.71 1d5g s ALA 60 N -2.00 3.55 -0.30 -1.18 0.00 -1.10 -4.81 121.76 115.91 1d5g s ALA 60 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 51.53 1d5g s ALA 60 Cb 0.00 -2.42 0.06 0.00 0.00 0.00 0.00 23.12 20.77 1d5g s ALA 60 CO 0.00 0.23 -0.01 0.08 0.00 0.00 0.00 175.76 176.06 1d5g s VAL 61 N -2.10 2.74 -1.26 0.00 1.01 -1.11 -1.69 120.40 117.99 1d5g s VAL 61 Ca 0.46 -1.57 -0.00 0.00 0.00 0.00 0.00 61.98 60.87 1d5g s VAL 61 Cb -0.11 -2.64 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1d5g s VAL 61 CO 0.29 -0.16 0.81 -3.20 0.00 0.00 0.00 175.10 172.84 1d5g n ASN 62 N 4.54 -1.55 0.00 3.32 4.05 0.29 -1.94 115.26 123.97 1d5g n ASN 62 Ca -0.11 -0.74 0.00 0.00 0.45 0.00 0.00 54.58 54.17 1d5g n ASN 62 Cb 0.43 -4.47 0.00 0.00 1.23 0.00 0.00 39.78 36.97 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 -1.40 2.79 3.45 8.20 0.00 -1.26 -4.98 105.19 111.99 1d5g n GLY 63 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.60 4.35 -0.73 1.61 1.01 -0.82 -4.97 120.40 119.25 1d5g s VAL 64 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1d5g s VAL 64 Cb 0.00 -4.70 0.02 0.00 0.00 0.00 0.00 36.38 31.70 1d5g s VAL 64 CO 0.00 -1.47 1.37 -0.44 0.00 0.00 0.00 175.10 174.56 1d5g s SER 65 N 3.70 6.05 -0.79 3.32 0.01 -1.26 -2.74 113.70 121.98 1d5g s SER 65 Ca 0.23 -0.39 -0.17 0.00 1.31 0.00 0.00 55.95 56.94 1d5g s SER 65 Cb -0.16 -2.56 0.16 0.00 0.21 0.00 0.00 66.02 63.67 1d5g s SER 65 CO 0.08 -1.90 0.87 -0.22 0.41 0.00 0.00 173.24 172.48 1d5g s LEU 66 N 6.18 5.81 0.13 2.44 1.98 -1.26 -5.02 118.68 128.94 1d5g s LEU 66 Ca 0.40 -2.12 -0.31 0.00 -2.89 0.00 0.00 54.13 49.21 1d5g s LEU 66 Cb -0.08 -2.30 -0.09 0.00 0.66 0.00 0.00 46.19 44.38 1d5g s LEU 66 CO 0.15 -0.89 1.45 -1.83 -1.89 0.00 0.00 176.35 173.33 1d5g s GLU 67 N 1.72 4.29 0.00 1.98 -1.05 -1.26 -2.56 118.70 121.81 1d5g s GLU 67 Ca 0.21 2.16 0.00 0.00 -0.15 0.00 0.00 54.97 57.19 1d5g s GLU 67 Cb -0.12 -3.22 0.00 0.00 -0.44 0.00 0.00 34.13 30.34 1d5g s GLU 67 CO -0.05 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.08 1d5g n GLY 68 N 3.58 0.86 3.73 -3.83 0.00 -0.33 -5.05 105.19 104.15 1d5g n GLY 68 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.45 3.34 0.87 4.61 0.00 -1.06 -4.79 121.76 122.29 1d5g s ALA 69 Ca 0.00 0.77 -0.10 0.00 0.00 0.00 0.00 51.96 52.63 1d5g s ALA 69 Cb 0.00 -3.37 0.17 0.00 0.00 0.00 0.00 23.12 19.92 1d5g s ALA 69 CO 0.00 -0.27 1.20 0.95 0.00 0.00 0.00 175.76 177.65 1d5g s THR 70 N 0.32 2.05 0.19 0.00 -4.23 -1.26 -4.30 115.64 108.41 1d5g s THR 70 Ca 0.52 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1d5g s THR 70 Cb -0.28 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 70.83 1d5g s THR 70 CO 0.32 0.00 1.79 -0.74 -0.54 0.00 0.00 174.62 175.45 1d5g h HIS 71 N -1.23 0.51 -0.70 3.99 2.76 -0.78 0.43 115.15 120.12 1d5g h HIS 71 Ca -0.41 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 57.81 1d5g h HIS 71 Cb 1.25 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 30.01 1d5g h HIS 71 CO -0.79 0.24 0.43 -0.22 -1.30 0.00 0.00 177.93 176.29 1d5g h LYS 72 N 0.53 0.82 -0.32 5.26 1.63 -1.95 0.76 116.57 123.30 1d5g h LYS 72 Ca 0.24 -0.05 -0.17 0.00 -0.85 0.00 0.00 60.65 59.83 1d5g h LYS 72 Cb 0.16 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1d5g h LYS 72 CO -0.17 0.54 -0.46 1.96 -3.45 0.00 0.00 179.45 177.88 1d5g h GLN 73 N 0.84 0.85 0.12 1.90 1.08 -1.83 -0.99 115.11 117.08 1d5g h GLN 73 Ca 0.29 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1d5g h GLN 73 Cb 0.04 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1d5g h GLN 73 CO -0.12 1.12 -0.06 0.00 -0.95 0.00 0.00 178.83 178.83 1d5g h ALA 74 N 0.80 -0.17 -0.43 3.87 0.00 -0.76 -1.69 119.26 120.88 1d5g h ALA 74 Ca 0.04 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1d5g h ALA 74 Cb 1.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1d5g h ALA 74 CO 0.10 -0.52 0.02 0.28 0.00 0.00 0.00 179.25 179.13 1d5g h VAL 75 N -0.31 1.22 -0.36 0.00 2.07 -0.82 0.11 116.25 118.17 1d5g h VAL 75 Ca -0.02 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1d5g h VAL 75 Cb 0.25 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1d5g h VAL 75 CO 0.03 0.31 0.18 -0.08 0.02 0.00 0.00 177.57 178.03 1d5g h GLU 76 N 0.66 0.35 -0.50 1.57 4.81 -1.18 0.11 114.58 120.39 1d5g h GLU 76 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1d5g h GLU 76 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1d5g h GLU 76 CO 0.01 0.23 0.14 1.15 -0.73 0.00 0.00 179.01 179.82 1d5g h THR 77 N 0.36 1.21 0.11 0.32 2.02 -0.59 -2.10 112.91 114.24 1d5g h THR 77 Ca 0.15 -0.73 -0.27 0.00 0.77 0.00 0.00 66.41 66.33 1d5g h THR 77 Cb 0.06 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1d5g h THR 77 CO -0.11 0.27 -1.19 -0.07 0.37 0.00 0.00 175.52 174.79 1d5g h LEU 78 N 0.73 0.51 -1.39 2.58 3.38 -0.55 -3.17 115.31 117.41 1d5g h LEU 78 Ca 0.17 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1d5g h LEU 78 Cb 0.24 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1d5g h LEU 78 CO -0.01 1.37 -0.30 0.03 0.09 0.00 0.00 178.44 179.62 1d5g h ARG 79 N 0.13 0.00 -1.93 1.13 3.08 -0.71 -3.00 114.38 113.08 1d5g h ARG 79 Ca -0.14 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.42 1d5g h ARG 79 Cb 1.89 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.77 1d5g h ARG 79 CO 0.20 0.30 0.42 -1.71 -1.07 0.00 0.00 179.97 178.11 1d5g n ASN 80 N -3.92 6.51 0.00 7.04 5.15 -0.80 -4.47 115.26 124.78 1d5g n ASN 80 Ca -0.02 -3.22 0.00 0.00 -0.60 0.00 0.00 54.58 50.75 1d5g n ASN 80 Cb 0.37 -1.21 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 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 0.76 0.00 0.00 -0.44 -2.24 -1.13 -4.96 114.28 106.26 1d5g n THR 81 Ca 0.47 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.73 1d5g n THR 81 Cb 0.55 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 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 1.88 1.35 0.05 3.38 0.00 -1.26 -4.19 105.19 106.40 1d5g n GLY 82 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.99 1.61 4.15 -1.94 -3.40 115.11 109.53 1d5g h GLN 83 Ca 0.00 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.75 1d5g h GLN 83 Cb 0.00 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.57 1d5g h GLN 83 CO 0.00 0.00 -0.60 0.54 -1.93 0.00 0.00 178.83 176.84 1d5g s VAL 84 N -1.70 4.51 -0.47 2.39 0.11 -1.26 -0.30 120.40 123.68 1d5g s VAL 84 Ca -0.05 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.72 1d5g s VAL 84 Cb 0.01 -2.97 0.12 0.00 -1.53 0.00 0.00 36.38 32.01 1d5g s VAL 84 CO 0.07 0.49 0.21 -0.69 -3.33 0.00 0.00 175.10 171.85 1d5g s VAL 85 N -1.03 2.39 -0.35 2.04 1.01 -0.20 -4.81 120.40 119.45 1d5g s VAL 85 Ca 0.17 -3.01 0.02 0.00 0.00 0.00 0.00 61.98 59.16 1d5g s VAL 85 Cb -0.12 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1d5g s VAL 85 CO 0.07 -0.76 0.10 -2.28 0.00 0.00 0.00 175.10 172.24 1d5g s HIS 86 N 0.06 2.59 0.13 5.22 5.04 -1.26 -1.21 115.29 125.86 1d5g s HIS 86 Ca 0.16 -2.37 0.07 0.00 -1.54 0.00 0.00 55.06 51.38 1d5g s HIS 86 Cb -0.24 -2.25 -0.04 0.00 0.04 0.00 0.00 32.58 30.09 1d5g s HIS 86 CO -0.02 -0.89 -0.16 -0.51 -2.34 0.00 0.00 174.74 170.82 1d5g s LEU 87 N 1.11 2.40 -0.07 8.88 1.43 -0.90 -0.55 118.68 130.98 1d5g s LEU 87 Ca 0.11 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1d5g s LEU 87 Cb -0.19 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1d5g s LEU 87 CO -0.15 -0.08 -0.24 -0.76 0.23 0.00 0.00 176.35 175.36 1d5g s LEU 88 N -2.45 2.05 0.02 1.79 2.01 -0.68 -1.17 118.68 120.24 1d5g s LEU 88 Ca 0.11 -0.50 -0.13 0.00 0.01 0.00 0.00 54.13 53.61 1d5g s LEU 88 Cb -0.06 -1.33 0.02 0.00 0.01 0.00 0.00 46.19 44.83 1d5g s LEU 88 CO 0.04 0.21 0.28 -1.48 1.01 0.00 0.00 176.35 176.42 1d5g s LEU 89 N -0.01 0.98 -0.21 1.79 2.34 -0.51 -0.72 118.68 122.34 1d5g s LEU 89 Ca -0.07 -0.13 -0.03 0.00 0.06 0.00 0.00 54.13 53.95 1d5g s LEU 89 Cb -0.15 1.23 -0.01 0.00 -0.56 0.00 0.00 46.19 46.71 1d5g s LEU 89 CO 0.05 -0.54 -0.05 -0.70 -1.06 0.00 0.00 176.35 174.04 1d5g s GLU 90 N -2.10 3.38 0.25 1.48 2.12 0.51 -0.92 118.70 123.41 1d5g s GLU 90 Ca -0.08 -0.63 -0.31 0.00 0.36 0.00 0.00 54.97 54.31 1d5g s GLU 90 Cb -0.03 -2.97 -0.13 0.00 0.26 0.00 0.00 34.13 31.26 1d5g s GLU 90 CO -0.01 -0.16 1.36 1.63 -0.54 0.00 0.00 175.26 177.54 1d5g n LYS 91 N 4.67 1.94 -1.64 4.30 5.02 -0.20 -2.59 118.16 129.65 1d5g n LYS 91 Ca -0.18 0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 56.51 1d5g n LYS 91 Cb 0.51 -2.31 0.12 0.00 -0.02 0.00 0.00 35.03 33.33 1d5g n LYS 91 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1d5g s GLY 92 N 0.16 1.58 0.62 0.72 0.00 -1.26 -4.82 107.32 104.33 1d5g s GLY 92 Ca 0.67 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1d5g s GLY 92 CO 0.52 -0.01 0.86 1.20 0.00 0.00 0.00 173.10 175.66 1d5g s GLN 93 N -5.36 2.09 0.08 2.90 -0.21 -1.26 -4.94 119.66 112.97 1d5g s GLN 93 Ca 0.63 -1.31 -0.24 0.00 0.02 0.00 0.00 55.36 54.46 1d5g s GLN 93 Cb -0.14 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1d5g s GLN 93 CO 0.52 -1.06 0.75 0.45 -2.12 0.00 0.00 175.29 173.83 1d5g s SER 94 N -4.65 7.25 0.99 5.90 0.15 -1.26 -4.95 113.70 117.12 1d5g s SER 94 Ca 0.63 1.48 -0.16 0.00 0.70 0.00 0.00 55.95 58.60 1d5g s SER 94 Cb -0.06 -2.46 0.20 0.00 -1.71 0.00 0.00 66.02 61.98 1d5g s SER 94 CO 0.41 0.10 1.25 -2.16 1.20 0.00 0.00 173.24 174.04 1d5g s PRO 95 N -0.47 0.44 0.00 5.44 0.04 -1.26 -5.21 135.00 133.97 1d5g s PRO 95 Ca 0.37 -0.24 0.26 0.00 0.04 0.00 0.00 61.00 61.43 1d5g s PRO 95 Cb -0.21 -1.81 0.70 0.00 0.04 0.00 0.00 34.50 33.22 1d5g s PRO 95 CO 0.23 -2.58 1.55 0.25 0.04 0.00 0.00 177.00 176.49