#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl3 s ILE 6 N 0.00 3.02 0.47 5.15 1.01 -1.26 -4.92 121.20 124.67 3dl3 s ILE 6 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.45 3dl3 s ILE 6 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 3dl3 s ILE 6 CO 0.00 -0.01 0.88 -0.81 0.00 0.00 0.00 174.94 175.00 3dl3 n PRO 7 N 8.39 1.06 -0.17 2.79 -0.04 -1.26 -4.89 135.00 140.88 3dl3 n PRO 7 Ca 0.27 0.39 0.18 0.00 -0.04 0.00 0.00 63.50 64.29 3dl3 n PRO 7 Cb 0.44 -1.95 0.54 0.00 -0.04 0.00 0.00 33.50 32.48 3dl3 n PRO 7 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3dl3 h LYS 8 N 1.09 0.34 0.00 0.54 6.56 -2.04 -1.68 116.57 121.39 3dl3 h LYS 8 Ca -0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3dl3 h LYS 8 Cb 1.36 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 3dl3 h LYS 8 CO 0.54 0.23 0.00 0.27 -2.06 0.00 0.00 179.45 178.42 3dl3 n ASN 9 N -4.46 0.00 -4.79 0.86 6.94 -1.26 -4.87 115.26 107.67 3dl3 n ASN 9 Ca 0.16 -0.39 -0.38 0.00 -0.02 0.00 0.00 54.58 53.94 3dl3 n ASN 9 Cb 0.61 -0.20 -0.06 0.00 -2.36 0.00 0.00 39.78 37.77 3dl3 n ASN 9 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3dl3 s TRP 10 N -2.40 3.77 0.13 -2.53 0.52 -0.63 -4.91 118.94 112.89 3dl3 s TRP 10 Ca 0.34 1.54 0.09 0.00 0.02 0.00 0.00 56.10 58.09 3dl3 s TRP 10 Cb 0.21 -2.71 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 3dl3 s TRP 10 CO 0.43 0.40 -0.21 -0.08 0.02 0.00 0.00 176.95 177.51 3dl3 s THR 11 N -1.36 1.86 -0.19 2.01 -1.32 -0.57 -4.89 115.64 111.18 3dl3 s THR 11 Ca 0.40 -1.72 -0.29 0.00 -1.21 0.00 0.00 61.69 58.87 3dl3 s THR 11 Cb -0.20 -1.74 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 3dl3 s THR 11 CO 0.23 -0.12 1.64 -0.63 -2.21 0.00 0.00 174.62 173.54 3dl3 s ILE 12 N -1.45 3.65 -0.21 5.08 1.01 -1.26 -1.67 121.20 126.34 3dl3 s ILE 12 Ca 0.11 0.74 0.19 0.00 0.00 0.00 0.00 60.65 61.69 3dl3 s ILE 12 Cb -0.09 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3dl3 s ILE 12 CO 0.06 -0.24 1.13 1.56 0.00 0.00 0.00 174.94 177.45 3dl3 h GLN 13 N 10.66 0.00 -1.70 2.79 1.08 -1.14 -3.48 115.11 123.32 3dl3 h GLN 13 Ca -0.35 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 56.89 3dl3 h GLN 13 Cb 1.16 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.34 3dl3 h GLN 13 CO 0.99 0.20 0.37 1.03 -0.95 0.00 0.00 178.83 180.47 3dl3 s ARG 14 N -3.11 0.58 0.03 1.46 0.52 -1.20 -5.04 118.95 112.20 3dl3 s ARG 14 Ca 0.01 0.70 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 3dl3 s ARG 14 Cb 0.08 0.28 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 3dl3 s ARG 14 CO 0.77 -0.07 -0.23 -1.12 0.02 0.00 0.00 175.30 174.67 3dl3 s SER 15 N 0.29 2.74 0.26 0.23 0.01 -1.26 -0.71 113.70 115.26 3dl3 s SER 15 Ca 0.02 -0.52 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 3dl3 s SER 15 Cb -0.05 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.87 3dl3 s SER 15 CO -0.05 0.22 0.53 0.28 0.41 0.00 0.00 173.24 174.63 3dl3 s THR 16 N -0.73 5.02 1.01 1.44 -1.32 -0.43 -5.03 115.64 115.60 3dl3 s THR 16 Ca 0.09 0.14 -0.17 0.00 -1.21 0.00 0.00 61.69 60.54 3dl3 s THR 16 Cb -0.09 -3.69 0.24 0.00 -1.51 0.00 0.00 72.50 67.45 3dl3 s THR 16 CO 0.01 -0.22 1.07 -0.81 -2.21 0.00 0.00 174.62 172.46 3dl3 n PRO 17 N -0.62 -2.19 -2.20 7.08 -0.04 -1.26 -4.45 135.00 131.31 3dl3 n PRO 17 Ca -0.01 -1.68 -0.41 0.00 -0.04 0.00 0.00 63.50 61.35 3dl3 n PRO 17 Cb 0.53 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 3dl3 n PRO 17 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dl3 s PHE 18 N -3.12 3.22 0.06 0.54 0.08 -1.26 -4.59 117.98 112.91 3dl3 s PHE 18 Ca 0.65 1.33 0.06 0.00 0.12 0.00 0.00 56.93 59.09 3dl3 s PHE 18 Cb -0.04 -3.60 -0.04 0.00 -0.57 0.00 0.00 43.02 38.77 3dl3 s PHE 18 CO 0.48 -1.76 -0.12 -0.06 -0.10 0.00 0.00 175.22 173.66 3dl3 s PHE 19 N -0.43 2.71 0.32 0.36 0.08 0.15 -4.94 117.98 116.24 3dl3 s PHE 19 Ca 0.53 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.48 3dl3 s PHE 19 Cb -0.37 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 3dl3 s PHE 19 CO 0.43 0.37 0.25 0.95 -0.10 0.00 0.00 175.22 177.12 3dl3 s THR 20 N -1.08 0.05 -0.74 0.64 -4.23 -1.26 -2.05 115.64 106.96 3dl3 s THR 20 Ca 0.18 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3dl3 s THR 20 Cb -0.11 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.36 3dl3 s THR 20 CO 0.10 0.00 1.36 1.17 -0.54 0.00 0.00 174.62 176.71 3dl3 n LYS 21 N -0.61 0.06 0.05 3.99 4.81 -1.26 -1.45 118.16 123.75 3dl3 n LYS 21 Ca 0.06 0.46 -0.18 0.00 -0.87 0.00 0.00 58.31 57.78 3dl3 n LYS 21 Cb 0.63 -1.66 -0.14 0.00 0.02 0.00 0.00 35.03 33.88 3dl3 n LYS 21 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3dl3 h ASP 22 N 0.00 0.40 0.00 3.14 3.45 -1.93 -3.41 116.42 118.07 3dl3 h ASP 22 Ca 0.00 -0.61 0.00 0.00 0.43 0.00 0.00 57.03 56.85 3dl3 h ASP 22 Cb 0.11 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3dl3 h ASP 22 CO 0.00 1.52 0.00 -0.46 -1.57 0.00 0.00 179.24 178.73 3dl3 n ASN 23 N -3.45 1.04 -4.68 6.45 0.23 -0.99 -5.05 115.26 108.81 3dl3 n ASN 23 Ca -0.20 -1.08 -0.45 0.00 -0.53 0.00 0.00 54.58 52.33 3dl3 n ASN 23 Cb 1.05 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.71 3dl3 n ASN 23 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3dl3 n VAL 24 N -0.04 0.04 -1.74 3.53 3.14 -0.53 -4.85 118.33 117.88 3dl3 n VAL 24 Ca 0.00 -0.01 -0.42 0.00 -2.96 0.00 0.00 64.34 60.95 3dl3 n VAL 24 Cb 0.03 -1.70 -0.01 0.00 -1.06 0.00 0.00 33.84 31.10 3dl3 n VAL 24 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3dl3 n PRO 25 N 3.79 2.58 0.21 1.45 -0.02 -1.26 -4.85 135.00 136.89 3dl3 n PRO 25 Ca 0.17 0.91 0.15 0.00 -2.02 0.00 0.00 63.50 62.71 3dl3 n PRO 25 Cb 0.31 -2.65 0.71 0.00 -0.02 0.00 0.00 33.50 31.85 3dl3 n PRO 25 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dl3 h GLU 26 N 3.97 0.00 0.00 -0.52 5.08 -2.01 -2.16 114.58 118.94 3dl3 h GLU 26 Ca -0.48 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3dl3 h GLU 26 Cb 1.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 3dl3 h GLU 26 CO 0.73 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 178.52 3dl3 h ALA 27 N 2.08 1.27 0.00 3.43 0.00 -1.91 -2.71 119.26 121.41 3dl3 h ALA 27 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3dl3 h ALA 27 Cb 0.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3dl3 h ALA 27 CO 0.00 0.28 -0.51 -0.07 0.00 0.00 0.00 179.25 178.95 3dl3 h LEU 28 N 0.00 0.00 -0.08 0.00 3.38 -1.76 -3.23 115.31 113.62 3dl3 h LEU 28 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dl3 h LEU 28 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3dl3 h LEU 28 CO 0.03 0.29 0.00 0.18 0.09 0.00 0.00 178.44 179.02 3dl3 n LEU 29 N -3.08 0.41 -4.57 1.67 4.77 -1.03 -1.69 117.00 113.49 3dl3 n LEU 29 Ca 0.01 0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 56.28 3dl3 n LEU 29 Cb 0.66 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 3dl3 n LEU 29 CO 0.39 -0.17 -0.24 0.42 -1.33 0.00 0.00 177.39 176.46 3dl3 s THR 30 N -3.08 1.00 0.12 -5.08 -4.23 -1.22 -4.46 115.64 98.69 3dl3 s THR 30 Ca 0.11 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.27 3dl3 s THR 30 Cb 0.14 -2.48 -0.17 0.00 1.34 0.00 0.00 72.50 71.34 3dl3 s THR 30 CO 0.51 0.00 1.12 1.41 -0.54 0.00 0.00 174.62 177.12 3dl3 n HIS 31 N -0.94 1.01 -3.56 3.99 8.25 -1.26 -4.53 115.22 118.18 3dl3 n HIS 31 Ca -0.08 0.79 -0.07 0.00 -0.26 0.00 0.00 57.72 58.10 3dl3 n HIS 31 Cb 0.66 -2.21 -0.03 0.00 1.12 0.00 0.00 29.99 29.53 3dl3 n HIS 31 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3dl3 s HIS 32 N -0.08 -0.25 0.13 4.41 -0.00 -0.89 -4.94 115.29 113.67 3dl3 s HIS 32 Ca 0.79 0.25 -0.06 0.00 -0.00 0.00 0.00 55.06 56.03 3dl3 s HIS 32 Cb -0.98 0.51 -0.02 0.00 -0.00 0.00 0.00 32.58 32.09 3dl3 s HIS 32 CO 0.52 -0.34 0.19 0.54 -0.00 0.00 0.00 174.74 175.65 3dl3 s ASN 33 N -1.96 0.15 0.80 7.38 4.22 -1.26 -1.59 114.94 122.68 3dl3 s ASN 33 Ca 0.05 -0.91 -0.11 0.00 -2.14 0.00 0.00 52.86 49.76 3dl3 s ASN 33 Cb -0.01 0.36 0.09 0.00 1.28 0.00 0.00 41.25 42.98 3dl3 s ASN 33 CO -0.05 -0.80 1.14 0.42 -2.04 0.00 0.00 177.10 175.78 3dl3 s THR 34 N -3.96 2.08 1.15 0.54 -4.23 -1.26 -4.89 115.64 105.07 3dl3 s THR 34 Ca 0.15 -0.09 -0.19 0.00 -1.18 0.00 0.00 61.69 60.38 3dl3 s THR 34 Cb 0.05 -2.99 0.29 0.00 1.34 0.00 0.00 72.50 71.19 3dl3 s THR 34 CO -0.03 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.92 3dl3 n ALA 35 N -3.25 -3.60 -0.24 3.99 0.00 -1.26 -2.56 120.51 113.59 3dl3 n ALA 35 Ca 0.09 -1.38 0.01 0.00 0.00 0.00 0.00 53.44 52.16 3dl3 n ALA 35 Cb 0.61 -0.11 0.13 0.00 0.00 0.00 0.00 19.45 20.08 3dl3 n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dl3 h VAL 36 N -2.91 0.87 -0.99 0.00 2.07 -1.97 -3.01 116.25 110.31 3dl3 h VAL 36 Ca -0.35 -0.21 -0.47 0.00 0.82 0.00 0.00 66.70 66.48 3dl3 h VAL 36 Cb 1.11 0.20 -0.42 0.00 -1.52 0.00 0.00 31.29 30.67 3dl3 h VAL 36 CO 0.22 0.11 -0.91 0.47 0.02 0.00 0.00 177.57 177.48 3dl3 n ASP 37 N -4.85 3.64 -4.07 0.57 10.43 -1.26 -4.69 116.55 116.32 3dl3 n ASP 37 Ca 0.10 -3.25 -0.30 0.00 2.57 0.00 0.00 54.79 53.92 3dl3 n ASP 37 Cb 0.25 -0.44 -0.17 0.00 1.84 0.00 0.00 41.12 42.61 3dl3 n ASP 37 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3dl3 s VAL 38 N -4.50 1.65 -0.07 2.53 1.01 -1.19 -4.26 120.40 115.57 3dl3 s VAL 38 Ca 0.41 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3dl3 s VAL 38 Cb 0.40 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3dl3 s VAL 38 CO -0.05 0.47 0.35 -0.36 0.00 0.00 0.00 175.10 175.51 3dl3 s PHE 39 N 1.09 3.63 -0.19 5.22 0.08 0.71 -3.88 117.98 124.63 3dl3 s PHE 39 Ca -0.03 0.82 -0.06 0.00 0.12 0.00 0.00 56.93 57.78 3dl3 s PHE 39 Cb -0.14 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 40.00 3dl3 s PHE 39 CO -0.04 0.52 0.04 0.20 -0.10 0.00 0.00 175.22 175.83 3dl3 s GLY 40 N -0.54 1.82 -0.30 4.36 0.00 -0.59 -0.20 107.32 111.87 3dl3 s GLY 40 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.10 3dl3 s GLY 40 CO 0.09 0.13 -0.02 1.62 0.00 0.00 0.00 173.10 174.93 3dl3 s GLN 41 N 0.65 2.07 -0.31 2.90 0.74 0.64 0.51 119.66 126.85 3dl3 s GLN 41 Ca 0.02 -1.51 -0.22 0.00 0.05 0.00 0.00 55.36 53.70 3dl3 s GLN 41 Cb -0.13 -3.09 -0.00 0.00 1.10 0.00 0.00 33.01 30.88 3dl3 s GLN 41 CO 0.02 -0.72 0.74 0.42 -0.55 0.00 0.00 175.29 175.20 3dl3 s ILE 42 N 1.09 4.84 -0.13 -2.34 1.01 0.32 -1.15 121.20 124.84 3dl3 s ILE 42 Ca -0.02 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.69 3dl3 s ILE 42 Cb -0.20 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 3dl3 s ILE 42 CO -0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 174.94 174.60 3dl3 s VAL 44 N 0.09 2.70 0.50 0.00 1.01 -0.90 -1.69 120.40 122.10 3dl3 s VAL 44 Ca -0.02 -1.70 -0.21 0.00 0.00 0.00 0.00 61.98 60.05 3dl3 s VAL 44 Cb -0.14 -2.97 -0.09 0.00 0.00 0.00 0.00 36.38 33.18 3dl3 s VAL 44 CO 0.03 -0.10 0.83 1.21 0.00 0.00 0.00 175.10 177.07 3dl3 n GLU 46 N -1.19 0.95 0.00 2.72 4.07 -0.94 -0.78 120.64 125.47 3dl3 n GLU 46 Ca -0.02 0.35 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 3dl3 n GLU 46 Cb 0.63 -1.92 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 3dl3 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3dl3 n GLY 47 N 1.42 -0.49 2.87 8.31 0.00 -1.24 -0.86 105.19 115.20 3dl3 n GLY 47 Ca 0.11 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 3dl3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dl3 s VAL 48 N 0.00 0.09 -0.16 1.61 0.11 -1.26 -3.08 120.40 117.71 3dl3 s VAL 48 Ca 0.00 -0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 3dl3 s VAL 48 Cb 0.00 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.75 3dl3 s VAL 48 CO 0.00 0.05 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.95 3dl3 s VAL 49 N 0.19 2.38 -0.20 2.04 1.01 -0.36 -1.59 120.40 123.87 3dl3 s VAL 49 Ca -0.02 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 3dl3 s VAL 49 Cb -0.03 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3dl3 s VAL 49 CO -0.01 0.53 0.36 -0.89 0.00 0.00 0.00 175.10 175.09 3dl3 s THR 50 N 0.92 5.23 -0.15 3.92 2.01 0.02 -0.68 115.64 126.90 3dl3 s THR 50 Ca -0.04 0.63 -0.07 0.00 0.31 0.00 0.00 61.69 62.52 3dl3 s THR 50 Cb -0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3dl3 s THR 50 CO -0.03 0.28 0.10 -0.47 -0.69 0.00 0.00 174.62 173.81 3dl3 s TYR 51 N 1.19 3.41 -0.19 4.92 5.04 0.26 -1.52 117.35 130.46 3dl3 s TYR 51 Ca 0.17 0.32 0.01 0.00 -2.44 0.00 0.00 57.07 55.13 3dl3 s TYR 51 Cb -0.14 -2.02 0.04 0.00 0.35 0.00 0.00 41.96 40.18 3dl3 s TYR 51 CO 0.07 0.44 -0.12 0.71 -1.34 0.00 0.00 175.55 175.31 3dl3 s TYR 52 N -0.27 2.42 -0.04 4.97 2.02 -0.40 -0.33 117.35 125.71 3dl3 s TYR 52 Ca 0.10 -1.53 -0.02 0.00 -0.37 0.00 0.00 57.07 55.24 3dl3 s TYR 52 Cb -0.12 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3dl3 s TYR 52 CO 0.01 -0.74 0.11 0.20 -1.57 0.00 0.00 175.55 173.56 3dl3 s GLY 53 N 1.40 2.06 0.06 0.71 0.00 -0.13 -1.12 107.32 110.29 3dl3 s GLY 53 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 44.72 44.02 3dl3 s GLY 53 CO -0.09 -0.63 -0.25 -1.36 0.00 0.00 0.00 173.10 170.77 3dl3 s PHE 54 N -1.15 2.15 0.21 1.90 0.40 -0.58 -1.12 117.98 119.78 3dl3 s PHE 54 Ca 0.21 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 56.05 3dl3 s PHE 54 Cb -0.12 -1.27 0.28 0.00 0.51 0.00 0.00 43.02 42.42 3dl3 s PHE 54 CO 0.11 0.14 1.77 0.00 0.70 0.00 0.00 175.22 177.94 3dl3 h ALA 55 N 4.69 0.85 -3.58 5.36 0.00 -1.88 -3.38 119.26 121.32 3dl3 h ALA 55 Ca -0.46 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3dl3 h ALA 55 Cb 1.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3dl3 h ALA 55 CO 0.43 -0.10 -0.11 0.27 0.00 0.00 0.00 179.25 179.74 3dl3 n ASN 56 N -4.91 -0.89 0.24 0.00 6.94 -1.26 -4.92 115.26 110.46 3dl3 n ASN 56 Ca 0.09 -2.27 0.09 0.00 -0.02 0.00 0.00 54.58 52.47 3dl3 n ASN 56 Cb 0.25 1.67 0.60 0.00 -2.36 0.00 0.00 39.78 39.93 3dl3 n ASN 56 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3dl3 h SER 57 N 1.32 0.00 -0.02 0.53 4.64 -1.95 -3.16 113.55 114.92 3dl3 h SER 57 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3dl3 h SER 57 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3dl3 h SER 57 CO 0.24 0.18 -0.25 -1.84 -0.87 0.00 0.00 176.83 174.30 3dl3 n GLU 58 N -3.82 1.58 -2.06 4.77 0.28 -1.26 -5.00 120.64 115.12 3dl3 n GLU 58 Ca -0.02 -1.07 -0.36 0.00 -0.16 0.00 0.00 57.16 55.55 3dl3 n GLU 58 Cb 0.28 -1.32 0.03 0.00 1.43 0.00 0.00 31.44 31.86 3dl3 n GLU 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dl3 s ALA 59 N -1.85 2.59 -0.06 -1.84 0.00 -1.20 -4.97 121.76 114.44 3dl3 s ALA 59 Ca 0.16 0.98 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3dl3 s ALA 59 Cb 0.14 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 3dl3 s ALA 59 CO 0.37 -1.08 0.10 -2.37 0.00 0.00 0.00 175.76 172.78 3dl3 n THR 60 N -1.50 0.39 -3.74 0.00 5.66 -1.26 -4.95 114.28 108.89 3dl3 n THR 60 Ca 0.13 -0.33 -0.36 0.00 -3.05 0.00 0.00 64.05 60.44 3dl3 n THR 60 Cb 0.50 -0.37 -0.07 0.00 -1.55 0.00 0.00 70.33 68.84 3dl3 n THR 60 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 3dl3 s GLU 61 N -2.40 3.87 0.16 1.09 8.01 -1.26 -5.06 118.70 123.11 3dl3 s GLU 61 Ca -0.04 -0.07 -0.31 0.00 0.01 0.00 0.00 54.97 54.56 3dl3 s GLU 61 Cb 0.04 -3.31 -0.09 0.00 -4.31 0.00 0.00 34.13 26.47 3dl3 s GLU 61 CO 0.39 0.52 1.38 -2.14 0.01 0.00 0.00 175.26 175.43 3dl3 s PRO 62 N -0.32 4.33 0.00 0.39 0.02 -1.26 -4.66 135.00 133.49 3dl3 s PRO 62 Ca 0.14 2.11 0.24 0.00 0.02 0.00 0.00 61.00 63.51 3dl3 s PRO 62 Cb -0.12 -3.21 0.55 0.00 0.02 0.00 0.00 34.50 31.74 3dl3 s PRO 62 CO 0.03 -0.39 1.46 -0.85 -0.33 0.00 0.00 177.00 176.92 3dl3 n GLU 63 N 3.39 2.10 -3.64 5.54 0.28 -0.28 -4.89 120.64 123.15 3dl3 n GLU 63 Ca 0.10 -1.62 -0.06 0.00 -0.16 0.00 0.00 57.16 55.41 3dl3 n GLU 63 Cb 0.42 -1.47 -0.07 0.00 1.43 0.00 0.00 31.44 31.75 3dl3 n GLU 63 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 3dl3 s ILE 64 N -1.86 0.00 -0.14 3.84 2.07 -1.18 -4.98 121.20 118.94 3dl3 s ILE 64 Ca 0.34 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.57 3dl3 s ILE 64 Cb 0.20 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.82 3dl3 s ILE 64 CO 0.31 0.00 -0.10 -0.75 -1.91 0.00 0.00 174.94 172.48 3dl3 s LYS 65 N 0.87 1.87 -0.10 3.50 2.20 -1.26 -0.96 119.74 125.87 3dl3 s LYS 65 Ca -0.04 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3dl3 s LYS 65 Cb -0.04 -1.92 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 3dl3 s LYS 65 CO -0.11 -0.29 -0.21 0.08 -0.36 0.00 0.00 175.35 174.46 3dl3 s VAL 66 N 1.58 1.86 -0.27 4.02 1.01 0.55 -4.95 120.40 124.20 3dl3 s VAL 66 Ca 0.04 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 3dl3 s VAL 66 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3dl3 s VAL 66 CO -0.09 0.51 0.34 -0.69 0.00 0.00 0.00 175.10 175.17 3dl3 s VAL 67 N 0.54 5.20 -0.22 2.92 1.01 -1.26 0.92 120.40 129.51 3dl3 s VAL 67 Ca -0.15 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 3dl3 s VAL 67 Cb -0.17 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3dl3 s VAL 67 CO 0.05 0.17 -0.02 -0.63 0.00 0.00 0.00 175.10 174.68 3dl3 s ILE 68 N 2.01 3.66 0.57 2.22 1.01 0.15 -5.00 121.20 125.82 3dl3 s ILE 68 Ca 0.14 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.46 3dl3 s ILE 68 Cb -0.16 -2.67 0.08 0.00 0.01 0.00 0.00 42.46 39.72 3dl3 s ILE 68 CO 0.10 0.41 0.63 0.59 0.00 0.00 0.00 174.94 176.68 3dl3 n ASN 69 N 4.62 2.38 -4.74 3.58 4.13 -1.26 -1.22 115.26 122.76 3dl3 n ASN 69 Ca -0.18 -2.69 -0.42 0.00 1.68 0.00 0.00 54.58 52.98 3dl3 n ASN 69 Cb 0.51 -0.26 -0.02 0.00 -1.54 0.00 0.00 39.78 38.47 3dl3 n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dl3 s ALA 70 N -2.73 3.79 0.00 5.41 0.00 -1.18 -2.32 121.76 124.72 3dl3 s ALA 70 Ca 0.48 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3dl3 s ALA 70 Cb -0.04 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3dl3 s ALA 70 CO 0.31 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.56 3dl3 n GLY 71 N 2.82 0.71 3.45 0.00 0.00 0.04 -5.02 105.19 107.20 3dl3 n GLY 71 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3dl3 n GLY 71 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dl3 s GLN 72 N -0.61 1.61 0.04 1.61 -0.21 -0.98 -5.02 119.66 116.10 3dl3 s GLN 72 Ca 0.00 -1.80 -0.09 0.00 0.02 0.00 0.00 55.36 53.49 3dl3 s GLN 72 Cb 0.00 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.65 3dl3 s GLN 72 CO 0.00 0.11 0.18 -0.59 -2.12 0.00 0.00 175.29 172.88 3dl3 s PHE 73 N -2.85 0.08 0.12 0.91 -0.12 -1.26 -2.11 117.98 112.74 3dl3 s PHE 73 Ca 0.29 -0.33 0.07 0.00 -0.05 0.00 0.00 56.93 56.92 3dl3 s PHE 73 Cb 0.02 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3dl3 s PHE 73 CO 0.13 -0.43 -0.18 0.00 -0.05 0.00 0.00 175.22 174.69 3dl3 s ALA 74 N -2.70 1.69 -0.08 1.99 0.00 -0.28 -4.96 121.76 117.42 3dl3 s ALA 74 Ca -0.04 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.66 3dl3 s ALA 74 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 3dl3 s ALA 74 CO -0.05 0.24 -0.13 0.95 0.00 0.00 0.00 175.76 176.78 3dl3 s THR 75 N -1.62 3.17 -0.26 0.00 -4.23 -1.26 -0.52 115.64 110.91 3dl3 s THR 75 Ca 0.08 -0.66 -0.05 0.00 -1.18 0.00 0.00 61.69 59.88 3dl3 s THR 75 Cb -0.08 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3dl3 s THR 75 CO 0.04 0.57 0.02 -0.44 -0.54 0.00 0.00 174.62 174.27 3dl3 s SER 76 N -0.32 4.74 0.98 3.99 0.01 0.18 -4.95 113.70 118.33 3dl3 s SER 76 Ca 0.03 -0.57 -0.11 0.00 1.31 0.00 0.00 55.95 56.62 3dl3 s SER 76 Cb -0.13 -1.81 0.18 0.00 0.21 0.00 0.00 66.02 64.47 3dl3 s SER 76 CO 0.02 -0.11 1.08 -2.65 0.41 0.00 0.00 173.24 172.00 3dl3 n PRO 77 N 4.82 -0.90 -1.73 12.44 -0.02 -1.26 -1.55 135.00 146.81 3dl3 n PRO 77 Ca -0.16 -0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 60.69 3dl3 n PRO 77 Cb 0.49 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 3dl3 n PRO 77 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3dl3 n PRO 78 N -4.30 2.62 -0.73 0.52 -0.02 -1.25 -2.54 135.00 129.29 3dl3 n PRO 78 Ca 0.10 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 3dl3 n PRO 78 Cb 0.53 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3dl3 n PRO 78 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dl3 n GLN 79 N 2.45 -0.46 -2.42 -0.52 6.02 -1.06 -4.94 117.38 116.45 3dl3 n GLN 79 Ca 0.10 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 3dl3 n GLN 79 Cb 0.36 -4.19 -0.03 0.00 1.02 0.00 0.00 30.24 27.39 3dl3 n GLN 79 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3dl3 s TYR 80 N -1.55 3.46 0.20 1.08 5.04 -1.05 -4.77 117.35 119.75 3dl3 s TYR 80 Ca 0.00 1.38 -0.19 0.00 -2.44 0.00 0.00 57.07 55.83 3dl3 s TYR 80 Cb 0.00 -3.40 -0.08 0.00 0.35 0.00 0.00 41.96 38.83 3dl3 s TYR 80 CO 0.00 -1.15 0.68 -1.58 -1.34 0.00 0.00 175.55 172.16 3dl3 s TRP 81 N 0.55 3.65 0.10 4.97 0.52 -1.26 -4.23 118.94 123.24 3dl3 s TRP 81 Ca 0.56 1.32 -0.26 0.00 0.02 0.00 0.00 56.10 57.73 3dl3 s TRP 81 Cb -0.30 -2.56 0.09 0.00 -1.15 0.00 0.00 33.47 29.54 3dl3 s TRP 81 CO 0.32 0.37 1.10 -3.38 0.02 0.00 0.00 176.95 175.37 3dl3 s HIS 82 N -1.49 -0.05 0.22 -1.98 -3.43 -0.62 -1.53 115.29 106.41 3dl3 s HIS 82 Ca 0.41 -0.21 -0.09 0.00 -0.80 0.00 0.00 55.06 54.38 3dl3 s HIS 82 Cb -0.16 0.62 -0.02 0.00 -1.43 0.00 0.00 32.58 31.59 3dl3 s HIS 82 CO 0.21 -0.65 0.35 -0.98 -2.00 0.00 0.00 174.74 171.66 3dl3 s ARG 83 N -2.70 1.40 0.03 -0.38 1.70 -0.28 -2.10 118.95 116.62 3dl3 s ARG 83 Ca 0.16 -1.37 -0.01 0.00 -0.47 0.00 0.00 55.73 54.05 3dl3 s ARG 83 Cb 0.00 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.75 3dl3 s ARG 83 CO 0.01 -0.54 -0.03 0.96 -1.08 0.00 0.00 175.30 174.62 3dl3 s ILE 84 N -4.06 0.15 -0.01 4.99 -4.36 -0.68 -1.27 121.20 115.95 3dl3 s ILE 84 Ca 0.27 -1.23 0.06 0.00 -0.26 0.00 0.00 60.65 59.50 3dl3 s ILE 84 Cb 0.02 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.99 3dl3 s ILE 84 CO 0.09 -0.68 -0.21 -1.61 0.24 0.00 0.00 174.94 172.78 3dl3 s GLU 85 N -2.36 1.66 0.03 0.37 2.02 -0.58 -4.37 118.70 115.47 3dl3 s GLU 85 Ca -0.08 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.22 3dl3 s GLU 85 Cb -0.03 -1.62 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 3dl3 s GLU 85 CO -0.04 0.44 -0.18 -0.51 0.02 0.00 0.00 175.26 174.99 3dl3 s LEU 86 N -0.54 2.62 0.91 1.80 1.43 -1.26 -0.80 118.68 122.84 3dl3 s LEU 86 Ca 0.08 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3dl3 s LEU 86 Cb -0.08 -1.53 0.14 0.00 0.03 0.00 0.00 46.19 44.75 3dl3 s LEU 86 CO -0.01 0.27 1.10 -0.94 0.23 0.00 0.00 176.35 177.01 3dl3 s SER 87 N -1.32 3.43 0.36 2.29 1.04 -0.62 -4.93 113.70 113.94 3dl3 s SER 87 Ca 0.14 1.24 0.06 0.00 0.48 0.00 0.00 55.95 57.87 3dl3 s SER 87 Cb -0.10 -1.90 0.67 0.00 0.10 0.00 0.00 66.02 64.78 3dl3 s SER 87 CO 0.05 -2.64 1.90 -0.78 0.98 0.00 0.00 173.24 172.75 3dl3 h ASP 88 N -1.55 0.42 -0.70 7.02 1.82 -2.00 -2.91 116.42 118.53 3dl3 h ASP 88 Ca -0.51 -0.07 -0.21 0.00 -0.39 0.00 0.00 57.03 55.85 3dl3 h ASP 88 Cb 1.31 -0.11 -0.13 0.00 0.68 0.00 0.00 39.33 41.08 3dl3 h ASP 88 CO 0.58 0.50 0.25 -0.90 -1.61 0.00 0.00 179.24 178.06 3dl3 n ASP 89 N -4.30 4.62 -4.78 2.28 5.75 -1.26 -4.58 116.55 114.28 3dl3 n ASP 89 Ca 0.01 -3.26 -0.37 0.00 -0.01 0.00 0.00 54.79 51.16 3dl3 n ASP 89 Cb 0.23 -0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 39.54 3dl3 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dl3 s ALA 90 N -3.02 3.15 -0.10 2.12 0.00 -1.10 -3.71 121.76 119.11 3dl3 s ALA 90 Ca 0.54 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3dl3 s ALA 90 Cb 0.44 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 20.35 3dl3 s ALA 90 CO 0.12 -0.10 0.19 -1.14 0.00 0.00 0.00 175.76 174.84 3dl3 s GLN 91 N -2.28 0.09 0.24 0.00 0.74 -0.04 -4.13 119.66 114.28 3dl3 s GLN 91 Ca 0.54 0.58 -0.19 0.00 0.05 0.00 0.00 55.36 56.34 3dl3 s GLN 91 Cb -0.22 -0.18 0.02 0.00 1.10 0.00 0.00 33.01 33.74 3dl3 s GLN 91 CO 0.28 -0.26 0.63 -0.59 -0.55 0.00 0.00 175.29 174.79 3dl3 s PHE 92 N 2.02 -0.15 0.11 1.67 -0.71 -0.87 -2.22 117.98 117.83 3dl3 s PHE 92 Ca -0.01 -0.24 -0.04 0.00 -1.04 0.00 0.00 56.93 55.59 3dl3 s PHE 92 Cb -0.12 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 3dl3 s PHE 92 CO -0.07 -1.09 0.11 0.54 -1.34 0.00 0.00 175.22 173.37 3dl3 s ASN 93 N -2.90 0.26 -0.10 1.98 4.22 -0.68 0.34 114.94 118.06 3dl3 s ASN 93 Ca 0.11 -0.97 0.04 0.00 -2.14 0.00 0.00 52.86 49.90 3dl3 s ASN 93 Cb -0.04 0.31 -0.00 0.00 1.28 0.00 0.00 41.25 42.80 3dl3 s ASN 93 CO 0.03 -0.73 -0.23 -0.63 -2.04 0.00 0.00 177.10 173.49 3dl3 s ILE 94 N -3.96 2.13 -0.13 0.54 1.01 -1.26 -1.26 121.20 118.28 3dl3 s ILE 94 Ca 0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3dl3 s ILE 94 Cb 0.06 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3dl3 s ILE 94 CO -0.04 0.56 0.00 0.20 0.00 0.00 0.00 174.94 175.66 3dl3 s ASN 95 N 0.28 5.19 -0.30 3.58 0.02 -0.30 -1.31 114.94 122.11 3dl3 s ASN 95 Ca -0.17 0.05 -0.07 0.00 -1.02 0.00 0.00 52.86 51.66 3dl3 s ASN 95 Cb -0.17 -1.67 0.01 0.00 0.02 0.00 0.00 41.25 39.44 3dl3 s ASN 95 CO 0.08 0.28 0.08 -0.36 0.02 0.00 0.00 177.10 177.20 3dl3 s PHE 96 N -0.27 3.15 0.02 2.20 0.08 0.12 -0.26 117.98 123.02 3dl3 s PHE 96 Ca 0.06 -0.94 -0.05 0.00 0.12 0.00 0.00 56.93 56.12 3dl3 s PHE 96 Cb -0.12 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.02 3dl3 s PHE 96 CO 0.02 -0.56 0.26 -1.58 -0.10 0.00 0.00 175.22 173.25 3dl3 s TRP 97 N 1.51 3.56 0.36 0.36 0.52 0.72 -0.53 118.94 125.44 3dl3 s TRP 97 Ca 0.03 0.50 -0.14 0.00 0.02 0.00 0.00 56.10 56.52 3dl3 s TRP 97 Cb -0.17 -1.94 0.05 0.00 -1.15 0.00 0.00 33.47 30.26 3dl3 s TRP 97 CO 0.03 0.60 0.73 0.45 0.02 0.00 0.00 176.95 178.78 3dl3 n SER 98 N 0.93 -2.12 0.00 2.95 2.88 -0.67 -0.21 113.62 117.39 3dl3 n SER 98 Ca -0.10 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.98 3dl3 n SER 98 Cb 0.53 3.52 0.00 0.00 -0.75 0.00 0.00 64.21 67.51 3dl3 n SER 98 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14