#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl3 s ARG 5 N 0.00 0.23 -0.28 3.23 0.52 -1.26 -5.05 118.95 116.34 3dl3 s ARG 5 Ca 0.00 -0.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.72 3dl3 s ARG 5 Cb 0.00 0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.57 3dl3 s ARG 5 CO 0.00 -0.04 1.11 0.42 0.02 0.00 0.00 175.30 176.80 3dl3 s ILE 6 N -0.67 4.49 0.25 1.52 1.01 -1.26 -4.98 121.20 121.57 3dl3 s ILE 6 Ca -0.07 1.75 -0.30 0.00 0.00 0.00 0.00 60.65 62.03 3dl3 s ILE 6 Cb -0.05 -4.33 -0.14 0.00 0.01 0.00 0.00 42.46 37.96 3dl3 s ILE 6 CO 0.00 -0.37 1.15 -2.65 0.00 0.00 0.00 174.94 173.06 3dl3 n PRO 7 N 6.75 1.49 0.00 2.79 -0.02 -1.26 -4.80 135.00 139.95 3dl3 n PRO 7 Ca 0.12 0.53 0.06 0.00 -2.02 0.00 0.00 63.50 62.19 3dl3 n PRO 7 Cb 0.47 -2.00 0.33 0.00 -0.02 0.00 0.00 33.50 32.28 3dl3 n PRO 7 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3dl3 n LYS 8 N 1.21 0.33 0.00 -0.52 2.85 -1.26 -1.79 118.16 118.98 3dl3 n LYS 8 Ca 0.11 0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.47 3dl3 n LYS 8 Cb 0.30 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 33.24 3dl3 n LYS 8 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3dl3 n ASN 9 N -1.03 2.28 -4.85 -5.58 2.04 -1.26 -4.98 115.26 101.87 3dl3 n ASN 9 Ca 0.08 -1.64 -0.30 0.00 -0.44 0.00 0.00 54.58 52.28 3dl3 n ASN 9 Cb 0.04 0.03 0.05 0.00 -2.53 0.00 0.00 39.78 37.38 3dl3 n ASN 9 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 3dl3 s TRP 10 N -1.35 3.21 0.11 -2.53 0.52 -0.74 -4.96 118.94 113.20 3dl3 s TRP 10 Ca 0.18 1.20 0.01 0.00 0.02 0.00 0.00 56.10 57.51 3dl3 s TRP 10 Cb 0.13 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 3dl3 s TRP 10 CO 0.21 -1.26 -0.02 0.99 0.02 0.00 0.00 176.95 176.89 3dl3 s THR 11 N -3.20 0.53 -0.28 2.01 2.01 0.03 -4.94 115.64 111.79 3dl3 s THR 11 Ca 0.58 -1.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.37 3dl3 s THR 11 Cb -0.13 -1.82 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 3dl3 s THR 11 CO 0.54 -0.73 1.31 -0.51 -0.69 0.00 0.00 174.62 174.54 3dl3 s ILE 12 N -3.74 4.13 -0.01 1.82 2.07 -1.26 -1.03 121.20 123.17 3dl3 s ILE 12 Ca 0.16 1.29 -0.10 0.00 -1.41 0.00 0.00 60.65 60.59 3dl3 s ILE 12 Cb 0.06 -4.12 -0.06 0.00 0.13 0.00 0.00 42.46 38.48 3dl3 s ILE 12 CO -0.02 -0.43 0.62 -0.61 -1.91 0.00 0.00 174.94 172.59 3dl3 h GLN 13 N 9.26 -0.35 -3.24 3.50 4.15 -0.73 -3.48 115.11 124.21 3dl3 h GLN 13 Ca -0.26 0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.03 3dl3 h GLN 13 Cb 1.10 0.08 -0.23 0.00 0.21 0.00 0.00 27.48 28.64 3dl3 h GLN 13 CO 1.03 -0.23 -0.42 -0.98 -1.93 0.00 0.00 178.83 176.29 3dl3 s ARG 14 N -2.90 0.43 -0.03 1.69 1.70 -1.21 -5.03 118.95 113.60 3dl3 s ARG 14 Ca -0.05 -0.02 0.04 0.00 -0.47 0.00 0.00 55.73 55.23 3dl3 s ARG 14 Cb 0.01 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 3dl3 s ARG 14 CO 0.16 -0.09 -0.15 -1.12 -1.08 0.00 0.00 175.30 173.02 3dl3 s SER 15 N -0.68 4.00 0.51 -2.89 0.01 -1.26 -1.72 113.70 111.66 3dl3 s SER 15 Ca -0.08 -0.24 -0.04 0.00 1.31 0.00 0.00 55.95 56.90 3dl3 s SER 15 Cb -0.04 -0.81 -0.01 0.00 0.21 0.00 0.00 66.02 65.37 3dl3 s SER 15 CO 0.02 0.33 0.79 0.42 0.41 0.00 0.00 173.24 175.20 3dl3 s THR 16 N -0.78 4.29 0.76 1.44 -4.23 -0.36 -5.01 115.64 111.75 3dl3 s THR 16 Ca 0.12 -0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3dl3 s THR 16 Cb -0.11 -3.64 0.06 0.00 1.34 0.00 0.00 72.50 70.15 3dl3 s THR 16 CO 0.02 -0.59 1.11 -2.16 -0.54 0.00 0.00 174.62 172.46 3dl3 s PRO 17 N -4.77 2.23 0.29 3.99 0.04 -1.26 -4.52 135.00 130.99 3dl3 s PRO 17 Ca 0.49 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 3dl3 s PRO 17 Cb -0.10 -2.03 -0.11 0.00 0.04 0.00 0.00 34.50 32.29 3dl3 s PRO 17 CO 0.43 -1.37 1.60 -0.06 0.04 0.00 0.00 177.00 177.64 3dl3 s PHE 18 N -3.43 2.76 0.20 0.56 0.08 -1.26 -4.67 117.98 112.21 3dl3 s PHE 18 Ca 0.60 0.75 0.09 0.00 0.12 0.00 0.00 56.93 58.50 3dl3 s PHE 18 Cb -0.11 -4.07 -0.04 0.00 -0.57 0.00 0.00 43.02 38.22 3dl3 s PHE 18 CO 0.48 -3.64 -0.08 -0.06 -0.10 0.00 0.00 175.22 171.82 3dl3 s PHE 19 N 0.08 2.63 0.19 0.36 0.08 0.61 -4.95 117.98 116.99 3dl3 s PHE 19 Ca 0.64 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 57.38 3dl3 s PHE 19 Cb -0.48 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3dl3 s PHE 19 CO 0.47 0.54 0.30 0.99 -0.10 0.00 0.00 175.22 177.41 3dl3 s THR 20 N -1.82 0.04 0.57 0.64 2.01 -1.26 -2.20 115.64 113.61 3dl3 s THR 20 Ca 0.26 -1.52 0.26 0.00 0.31 0.00 0.00 61.69 60.99 3dl3 s THR 20 Cb -0.08 -2.06 0.35 0.00 0.01 0.00 0.00 72.50 70.71 3dl3 s THR 20 CO 0.16 -0.17 2.13 0.11 -0.69 0.00 0.00 174.62 176.15 3dl3 h LYS 21 N 2.50 0.00 -0.11 4.92 1.57 -1.84 0.29 116.57 123.90 3dl3 h LYS 21 Ca -0.31 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.23 3dl3 h LYS 21 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 3dl3 h LYS 21 CO 0.46 0.00 -0.86 -0.44 -0.57 0.00 0.00 179.45 178.04 3dl3 h ASP 22 N 0.00 0.94 -0.02 0.86 3.32 -1.95 -3.38 116.42 116.20 3dl3 h ASP 22 Ca 0.07 -0.66 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3dl3 h ASP 22 Cb 0.36 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dl3 h ASP 22 CO -0.00 1.46 0.00 -0.46 -1.72 0.00 0.00 179.24 178.52 3dl3 n ASN 23 N -3.91 1.38 -4.76 6.45 6.94 -0.97 -5.05 115.26 115.34 3dl3 n ASN 23 Ca -0.09 -1.27 -0.41 0.00 -0.02 0.00 0.00 54.58 52.79 3dl3 n ASN 23 Cb 0.79 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.19 3dl3 n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3dl3 s VAL 24 N -0.35 2.16 0.13 3.53 0.11 1.00 -4.80 120.40 122.18 3dl3 s VAL 24 Ca 0.03 0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.92 3dl3 s VAL 24 Cb 0.02 -3.09 -0.07 0.00 -1.53 0.00 0.00 36.38 31.71 3dl3 s VAL 24 CO 0.03 0.03 1.18 -2.16 -3.33 0.00 0.00 175.10 170.84 3dl3 s PRO 25 N -0.95 4.49 0.41 1.54 0.04 -1.26 -4.91 135.00 134.35 3dl3 s PRO 25 Ca 0.59 1.80 0.27 0.00 0.04 0.00 0.00 61.00 63.71 3dl3 s PRO 25 Cb -0.46 -3.29 1.47 0.00 0.04 0.00 0.00 34.50 32.26 3dl3 s PRO 25 CO 0.52 -0.12 1.83 1.05 0.04 0.00 0.00 177.00 180.31 3dl3 h GLU 26 N 5.85 0.00 0.00 4.56 4.11 -2.00 -1.51 114.58 125.59 3dl3 h GLU 26 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3dl3 h GLU 26 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dl3 h GLU 26 CO 0.77 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.85 3dl3 h ALA 27 N 1.97 1.00 0.00 1.06 0.00 -1.95 -2.48 119.26 118.85 3dl3 h ALA 27 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3dl3 h ALA 27 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dl3 h ALA 27 CO 0.00 0.00 -1.74 1.28 0.00 0.00 0.00 179.25 178.79 3dl3 n LEU 28 N -2.93 0.52 0.04 0.00 4.77 -0.57 -4.05 117.00 114.79 3dl3 n LEU 28 Ca 0.00 0.23 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3dl3 n LEU 28 Cb 0.26 0.16 0.50 0.00 -2.33 0.00 0.00 43.42 42.01 3dl3 n LEU 28 CO 0.25 0.20 0.89 0.18 -1.33 0.00 0.00 177.39 177.58 3dl3 n LEU 29 N -2.75 0.30 -5.01 2.23 4.32 -0.95 -3.97 117.00 111.16 3dl3 n LEU 29 Ca -0.14 0.54 -0.18 0.00 -0.02 0.00 0.00 56.01 56.21 3dl3 n LEU 29 Cb 0.87 -0.45 0.02 0.00 -1.62 0.00 0.00 43.42 42.23 3dl3 n LEU 29 CO 0.43 -0.15 0.18 0.42 -1.22 0.00 0.00 177.39 177.06 3dl3 s THR 30 N -3.06 2.81 -0.55 -5.08 -4.23 -1.11 -4.58 115.64 99.84 3dl3 s THR 30 Ca 0.11 -1.01 -0.27 0.00 -1.18 0.00 0.00 61.69 59.33 3dl3 s THR 30 Cb 0.15 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.16 3dl3 s THR 30 CO 0.50 0.00 1.62 -2.28 -0.54 0.00 0.00 174.62 173.92 3dl3 s HIS 31 N -2.42 1.99 0.08 3.99 2.46 -1.26 -4.58 115.29 115.54 3dl3 s HIS 31 Ca 0.56 0.57 0.01 0.00 0.47 0.00 0.00 55.06 56.68 3dl3 s HIS 31 Cb -0.09 -4.26 -0.01 0.00 -0.13 0.00 0.00 32.58 28.10 3dl3 s HIS 31 CO 0.34 -2.25 0.07 -2.39 -2.47 0.00 0.00 174.74 168.04 3dl3 n HIS 32 N 10.79 -0.26 -4.08 3.88 1.44 -1.02 -4.97 115.22 121.00 3dl3 n HIS 32 Ca 0.16 -0.64 -0.10 0.00 -2.01 0.00 0.00 57.72 55.13 3dl3 n HIS 32 Cb 0.50 0.08 -0.08 0.00 0.12 0.00 0.00 29.99 30.61 3dl3 n HIS 32 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dl3 s ASN 33 N -1.54 0.06 0.34 4.39 4.22 -1.26 -0.94 114.94 120.21 3dl3 s ASN 33 Ca 0.09 -1.11 0.04 0.00 -2.14 0.00 0.00 52.86 49.73 3dl3 s ASN 33 Cb 0.00 0.46 -0.02 0.00 1.28 0.00 0.00 41.25 42.97 3dl3 s ASN 33 CO 0.06 -0.95 0.51 0.42 -2.04 0.00 0.00 177.10 175.10 3dl3 s THR 34 N -4.06 4.48 0.93 0.54 -4.23 -1.25 -4.95 115.64 107.08 3dl3 s THR 34 Ca 0.28 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.89 3dl3 s THR 34 Cb 0.04 -3.60 0.15 0.00 1.34 0.00 0.00 72.50 70.43 3dl3 s THR 34 CO 0.08 -0.30 1.13 0.00 -0.54 0.00 0.00 174.62 174.99 3dl3 s ALA 35 N -2.24 1.33 0.54 3.99 0.00 -1.26 -1.66 121.76 122.46 3dl3 s ALA 35 Ca 0.43 0.49 0.24 0.00 0.00 0.00 0.00 51.96 53.11 3dl3 s ALA 35 Cb -0.10 -3.41 1.42 0.00 0.00 0.00 0.00 23.12 21.03 3dl3 s ALA 35 CO 0.33 -2.80 2.05 -0.24 0.00 0.00 0.00 175.76 175.10 3dl3 h VAL 36 N -1.89 0.73 -0.77 0.00 3.04 -1.98 -3.05 116.25 112.32 3dl3 h VAL 36 Ca -0.45 0.00 -0.46 0.00 -1.01 0.00 0.00 66.70 64.78 3dl3 h VAL 36 Cb 1.27 0.82 -0.42 0.00 -2.01 0.00 0.00 31.29 30.95 3dl3 h VAL 36 CO 0.43 0.00 -0.91 -0.67 -1.01 0.00 0.00 177.57 175.41 3dl3 n ASP 37 N -4.28 3.82 -3.84 3.17 -0.08 -1.26 -4.78 116.55 109.31 3dl3 n ASP 37 Ca 0.05 -3.23 -0.12 0.00 -1.51 0.00 0.00 54.79 49.98 3dl3 n ASP 37 Cb 0.43 -0.40 -0.11 0.00 2.34 0.00 0.00 41.12 43.38 3dl3 n ASP 37 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3dl3 s VAL 38 N -4.42 0.05 -0.21 5.18 -7.23 -1.17 -4.34 120.40 108.26 3dl3 s VAL 38 Ca 0.43 -0.41 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 3dl3 s VAL 38 Cb 0.39 -0.39 -0.01 0.00 0.56 0.00 0.00 36.38 36.92 3dl3 s VAL 38 CO -0.01 -0.22 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.17 3dl3 s PHE 39 N -0.81 2.97 -0.60 2.82 0.40 -0.45 -3.39 117.98 118.92 3dl3 s PHE 39 Ca -0.09 -0.77 -0.20 0.00 -0.60 0.00 0.00 56.93 55.27 3dl3 s PHE 39 Cb -0.05 -2.09 0.09 0.00 0.51 0.00 0.00 43.02 41.48 3dl3 s PHE 39 CO 0.01 -0.44 0.78 0.20 0.70 0.00 0.00 175.22 176.47 3dl3 s GLY 40 N 1.28 1.65 -0.63 4.36 0.00 -0.85 -0.74 107.32 112.39 3dl3 s GLY 40 Ca 0.03 -2.05 -0.23 0.00 0.00 0.00 0.00 44.72 42.47 3dl3 s GLY 40 CO -0.01 1.72 0.97 1.62 0.00 0.00 0.00 173.10 177.40 3dl3 s GLN 41 N 3.11 3.18 -0.31 2.90 0.74 -0.42 -0.39 119.66 128.46 3dl3 s GLN 41 Ca 0.15 -0.63 -0.25 0.00 0.05 0.00 0.00 55.36 54.68 3dl3 s GLN 41 Cb -0.21 -4.17 0.01 0.00 1.10 0.00 0.00 33.01 29.73 3dl3 s GLN 41 CO 0.08 -1.73 0.88 0.42 -0.55 0.00 0.00 175.29 174.39 3dl3 s ILE 42 N 4.10 4.70 -0.22 -2.34 1.01 0.09 -1.57 121.20 126.97 3dl3 s ILE 42 Ca 0.25 1.34 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 3dl3 s ILE 42 Cb -0.15 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 3dl3 s ILE 42 CO 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 174.94 174.74 3dl3 s VAL 44 N 1.39 3.71 0.61 0.00 1.01 -0.73 -1.49 120.40 124.91 3dl3 s VAL 44 Ca 0.05 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 3dl3 s VAL 44 Cb -0.15 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3dl3 s VAL 44 CO 0.00 -0.13 1.18 1.21 0.00 0.00 0.00 175.10 177.36 3dl3 n GLU 46 N -1.81 1.15 0.00 2.72 4.07 -0.87 -0.64 120.64 125.27 3dl3 n GLU 46 Ca 0.03 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 3dl3 n GLU 46 Cb 0.58 -2.40 0.00 0.00 -0.06 0.00 0.00 31.44 29.57 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 1.03 -0.15 2.76 8.31 0.00 -1.25 -0.27 105.19 115.63 3dl3 n GLY 47 Ca 0.14 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3dl3 n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl3 s VAL 48 N 0.00 -0.07 -0.21 1.61 1.01 -1.26 -2.80 120.40 118.68 3dl3 s VAL 48 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 3dl3 s VAL 48 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3dl3 s VAL 48 CO 0.00 0.11 -0.01 -0.69 0.00 0.00 0.00 175.10 174.51 3dl3 s VAL 49 N 1.35 3.76 -0.32 2.92 1.01 -0.33 -1.28 120.40 127.52 3dl3 s VAL 49 Ca -0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 3dl3 s VAL 49 Cb -0.13 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3dl3 s VAL 49 CO -0.03 0.42 0.41 -0.89 0.00 0.00 0.00 175.10 175.01 3dl3 s THR 50 N 1.19 5.12 -0.22 3.92 2.01 0.75 -0.55 115.64 127.86 3dl3 s THR 50 Ca 0.03 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 3dl3 s THR 50 Cb -0.15 -3.82 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3dl3 s THR 50 CO 0.01 -0.03 0.19 -0.47 -0.69 0.00 0.00 174.62 173.62 3dl3 s TYR 51 N 2.15 3.35 -0.17 4.92 5.04 0.36 -1.25 117.35 131.74 3dl3 s TYR 51 Ca 0.15 0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 55.08 3dl3 s TYR 51 Cb -0.16 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.87 3dl3 s TYR 51 CO 0.11 0.12 -0.10 0.71 -1.34 0.00 0.00 175.55 175.05 3dl3 s TYR 52 N 0.89 2.87 0.05 4.97 2.02 0.30 -1.07 117.35 127.38 3dl3 s TYR 52 Ca 0.09 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.93 3dl3 s TYR 52 Cb -0.13 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 3dl3 s TYR 52 CO 0.03 -0.42 0.02 0.20 -1.57 0.00 0.00 175.55 173.81 3dl3 s GLY 53 N 0.92 1.94 0.02 0.71 0.00 0.18 -1.06 107.32 110.03 3dl3 s GLY 53 Ca -0.02 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.74 3dl3 s GLY 53 CO -0.00 -0.96 -0.20 -1.36 0.00 0.00 0.00 173.10 170.57 3dl3 s PHE 54 N -1.25 1.81 0.24 1.90 0.40 -0.36 -1.28 117.98 119.44 3dl3 s PHE 54 Ca 0.24 -0.36 -0.05 0.00 -0.60 0.00 0.00 56.93 56.16 3dl3 s PHE 54 Cb -0.12 -1.11 0.39 0.00 0.51 0.00 0.00 43.02 42.69 3dl3 s PHE 54 CO 0.16 0.04 1.77 0.00 0.70 0.00 0.00 175.22 177.90 3dl3 h ALA 55 N 5.18 1.06 -2.97 5.36 0.00 -1.87 -3.37 119.26 122.65 3dl3 h ALA 55 Ca -0.41 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3dl3 h ALA 55 Cb 1.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3dl3 h ALA 55 CO 0.45 -0.07 0.28 0.54 0.00 0.00 0.00 179.25 180.46 3dl3 s ASN 56 N -5.47 -0.07 0.64 0.00 2.20 -1.26 -4.91 114.94 106.06 3dl3 s ASN 56 Ca -0.12 -0.96 0.27 0.00 -0.94 0.00 0.00 52.86 51.10 3dl3 s ASN 56 Cb 0.19 0.80 1.42 0.00 -2.00 0.00 0.00 41.25 41.66 3dl3 s ASN 56 CO 0.77 -1.55 1.81 -1.28 -2.94 0.00 0.00 177.10 173.90 3dl3 h SER 57 N 2.00 0.00 0.00 3.54 0.87 -1.94 -1.00 113.55 117.02 3dl3 h SER 57 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3dl3 h SER 57 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 3dl3 h SER 57 CO 0.35 0.00 -1.02 -0.62 -0.53 0.00 0.00 176.83 175.01 3dl3 n GLU 58 N -3.10 0.11 -1.92 2.24 1.02 -1.26 -4.98 120.64 112.75 3dl3 n GLU 58 Ca 0.02 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 3dl3 n GLU 58 Cb 0.55 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3dl3 n GLU 58 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dl3 s ALA 59 N -2.99 2.81 -0.00 0.62 0.00 -0.38 -4.94 121.76 116.88 3dl3 s ALA 59 Ca 0.07 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.25 3dl3 s ALA 59 Cb 0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 3dl3 s ALA 59 CO 0.86 -1.19 0.02 0.25 0.00 0.00 0.00 175.76 175.70 3dl3 n THR 60 N -0.98 0.00 -5.04 0.00 -2.24 -1.26 -4.94 114.28 99.82 3dl3 n THR 60 Ca 0.10 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 3dl3 n THR 60 Cb 0.46 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 69.04 3dl3 n THR 60 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3dl3 s GLU 61 N -2.03 2.97 0.55 -0.78 2.56 -1.26 -5.11 118.70 115.60 3dl3 s GLU 61 Ca -0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 54.97 53.96 3dl3 s GLU 61 Cb 0.01 -2.39 -0.04 0.00 2.00 0.00 0.00 34.13 33.70 3dl3 s GLU 61 CO 0.04 0.30 1.35 -2.14 -0.56 0.00 0.00 175.26 174.26 3dl3 s PRO 62 N 0.07 3.09 -0.00 4.30 0.02 -1.26 -4.75 135.00 136.47 3dl3 s PRO 62 Ca -0.08 2.22 0.16 0.00 0.02 0.00 0.00 61.00 63.32 3dl3 s PRO 62 Cb -0.15 -2.22 -0.18 0.00 0.02 0.00 0.00 34.50 31.96 3dl3 s PRO 62 CO 0.05 -1.23 0.67 -0.85 -0.33 0.00 0.00 177.00 175.32 3dl3 n GLU 63 N -1.10 1.57 -3.69 5.54 0.28 -0.40 -4.95 120.64 117.88 3dl3 n GLU 63 Ca 0.11 -0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 3dl3 n GLU 63 Cb 0.45 -1.27 -0.09 0.00 1.43 0.00 0.00 31.44 31.95 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 -2.57 -0.01 -0.06 3.84 2.07 -1.17 -4.99 121.20 118.32 3dl3 s ILE 64 Ca 0.05 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 3dl3 s ILE 64 Cb 0.12 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 42.01 3dl3 s ILE 64 CO 0.67 0.01 -0.04 -0.75 -1.91 0.00 0.00 174.94 172.92 3dl3 s LYS 65 N 0.80 0.89 -0.03 3.50 2.20 -1.26 0.51 119.74 126.35 3dl3 s LYS 65 Ca -0.04 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3dl3 s LYS 65 Cb -0.05 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.33 3dl3 s LYS 65 CO -0.06 -0.14 0.00 0.54 -0.36 0.00 0.00 175.35 175.33 3dl3 s VAL 66 N 1.19 0.17 -0.13 4.02 0.11 -0.23 -5.00 120.40 120.54 3dl3 s VAL 66 Ca -0.06 0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 3dl3 s VAL 66 Cb -0.14 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3dl3 s VAL 66 CO -0.02 0.15 0.42 0.68 -3.33 0.00 0.00 175.10 173.00 3dl3 s VAL 67 N 1.07 5.22 -0.22 2.04 -7.23 -1.26 -0.49 120.40 119.53 3dl3 s VAL 67 Ca -0.09 0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 60.88 3dl3 s VAL 67 Cb -0.13 -3.76 -0.00 0.00 0.56 0.00 0.00 36.38 33.04 3dl3 s VAL 67 CO -0.02 0.35 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.43 3dl3 s ILE 68 N 0.56 3.19 0.37 -0.62 1.01 0.28 -4.98 121.20 121.02 3dl3 s ILE 68 Ca 0.23 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.36 3dl3 s ILE 68 Cb -0.14 -2.46 -0.00 0.00 0.01 0.00 0.00 42.46 39.86 3dl3 s ILE 68 CO 0.08 0.41 0.51 0.20 0.00 0.00 0.00 174.94 176.14 3dl3 s ASN 69 N 1.45 5.83 0.18 3.58 0.01 -1.26 -1.18 114.94 123.54 3dl3 s ASN 69 Ca 0.05 -0.29 -0.33 0.00 -0.71 0.00 0.00 52.86 51.58 3dl3 s ASN 69 Cb -0.14 -0.99 -0.14 0.00 0.41 0.00 0.00 41.25 40.38 3dl3 s ASN 69 CO -0.04 -0.56 1.50 0.00 -1.51 0.00 0.00 177.10 176.48 3dl3 n ALA 70 N -1.72 1.08 -0.19 0.60 0.00 -1.12 -1.36 120.51 117.81 3dl3 n ALA 70 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3dl3 n ALA 70 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3dl3 n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dl3 n GLY 71 N 2.95 0.63 3.54 0.00 0.00 0.19 -4.98 105.19 107.52 3dl3 n GLY 71 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.77 1.82 0.06 1.61 -0.21 -0.46 -5.02 119.66 116.69 3dl3 s GLN 72 Ca 0.00 -2.02 -0.13 0.00 0.02 0.00 0.00 55.36 53.23 3dl3 s GLN 72 Cb 0.00 -1.28 0.02 0.00 1.00 0.00 0.00 33.01 32.75 3dl3 s GLN 72 CO 0.00 -0.11 0.30 -0.59 -2.12 0.00 0.00 175.29 172.77 3dl3 s PHE 73 N -2.98 -0.08 -0.01 0.91 -0.12 -1.26 -1.77 117.98 112.68 3dl3 s PHE 73 Ca 0.36 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 3dl3 s PHE 73 Cb 0.09 0.09 -0.00 0.00 -0.63 0.00 0.00 43.02 42.57 3dl3 s PHE 73 CO 0.17 -0.54 -0.07 0.00 -0.05 0.00 0.00 175.22 174.73 3dl3 s ALA 74 N -2.91 0.59 -0.13 1.99 0.00 -0.65 -4.97 121.76 115.67 3dl3 s ALA 74 Ca -0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 3dl3 s ALA 74 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3dl3 s ALA 74 CO -0.06 0.14 0.10 0.95 0.00 0.00 0.00 175.76 176.89 3dl3 s THR 75 N -0.14 5.14 -0.23 0.00 -4.23 -1.26 -0.73 115.64 114.18 3dl3 s THR 75 Ca 0.02 0.08 -0.09 0.00 -1.18 0.00 0.00 61.69 60.52 3dl3 s THR 75 Cb -0.03 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 3dl3 s THR 75 CO -0.00 0.57 0.12 -0.55 -0.54 0.00 0.00 174.62 174.22 3dl3 s SER 76 N -0.61 5.76 0.68 3.99 0.15 0.47 -4.93 113.70 119.22 3dl3 s SER 76 Ca 0.12 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.61 3dl3 s SER 76 Cb -0.12 -2.03 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 3dl3 s SER 76 CO 0.02 0.05 1.27 -2.84 1.20 0.00 0.00 173.24 172.94 3dl3 s PRO 77 N 1.13 2.34 0.20 5.44 0.02 -1.26 -2.02 135.00 140.85 3dl3 s PRO 77 Ca 0.06 1.99 -0.33 0.00 0.02 0.00 0.00 61.00 62.74 3dl3 s PRO 77 Cb -0.14 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3dl3 s PRO 77 CO 0.04 -1.74 1.59 -2.30 -0.33 0.00 0.00 177.00 174.26 3dl3 n PRO 78 N -2.24 2.34 -0.89 5.54 -0.02 -1.22 -1.92 135.00 136.59 3dl3 n PRO 78 Ca 0.15 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3dl3 n PRO 78 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 3.23 -0.80 -2.63 -0.52 6.02 -0.67 -4.94 117.38 117.07 3dl3 n GLN 79 Ca 0.15 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 3dl3 n GLN 79 Cb 0.31 -4.06 -0.03 0.00 1.02 0.00 0.00 30.24 27.49 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 -1.65 3.43 0.24 1.08 5.04 -0.81 -4.66 117.35 120.01 3dl3 s TYR 80 Ca 0.00 1.50 -0.30 0.00 -2.44 0.00 0.00 57.07 55.83 3dl3 s TYR 80 Cb 0.00 -3.25 -0.09 0.00 0.35 0.00 0.00 41.96 38.97 3dl3 s TYR 80 CO 0.00 -0.49 1.06 -1.58 -1.34 0.00 0.00 175.55 173.20 3dl3 s TRP 81 N 2.14 3.68 0.26 4.97 0.52 -1.26 -3.92 118.94 125.33 3dl3 s TRP 81 Ca 0.50 1.73 -0.21 0.00 0.02 0.00 0.00 56.10 58.13 3dl3 s TRP 81 Cb -0.19 -3.21 0.04 0.00 -1.15 0.00 0.00 33.47 28.96 3dl3 s TRP 81 CO 0.18 -0.32 0.82 -3.38 0.02 0.00 0.00 176.95 174.27 3dl3 s HIS 82 N -0.92 -0.10 -0.09 -1.98 -3.43 -0.11 -1.22 115.29 107.44 3dl3 s HIS 82 Ca 0.45 -0.36 -0.09 0.00 -0.80 0.00 0.00 55.06 54.26 3dl3 s HIS 82 Cb -0.30 0.71 0.02 0.00 -1.43 0.00 0.00 32.58 31.59 3dl3 s HIS 82 CO 0.37 -1.17 0.25 0.50 -2.00 0.00 0.00 174.74 172.70 3dl3 s ARG 83 N -3.32 0.31 0.08 -0.38 3.52 -0.22 -2.44 118.95 116.49 3dl3 s ARG 83 Ca 0.13 0.33 0.09 0.00 -0.13 0.00 0.00 55.73 56.15 3dl3 s ARG 83 Cb -0.04 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3dl3 s ARG 83 CO 0.06 -0.04 -0.21 0.96 -0.81 0.00 0.00 175.30 175.27 3dl3 s ILE 84 N 0.09 2.63 -0.04 4.11 -4.36 -1.25 -0.54 121.20 121.84 3dl3 s ILE 84 Ca -0.00 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 3dl3 s ILE 84 Cb -0.02 -2.14 -0.00 0.00 1.25 0.00 0.00 42.46 41.55 3dl3 s ILE 84 CO 0.00 0.22 -0.16 -1.61 0.24 0.00 0.00 174.94 173.64 3dl3 s GLU 85 N -1.74 1.62 0.01 0.37 2.02 -0.38 -4.64 118.70 115.96 3dl3 s GLU 85 Ca 0.15 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.59 3dl3 s GLU 85 Cb -0.10 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 3dl3 s GLU 85 CO 0.06 0.24 0.02 -0.51 0.02 0.00 0.00 175.26 175.09 3dl3 s LEU 86 N -0.00 3.57 0.52 1.80 1.43 -1.26 -0.18 118.68 124.56 3dl3 s LEU 86 Ca -0.02 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.93 3dl3 s LEU 86 Cb -0.10 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.96 3dl3 s LEU 86 CO 0.02 0.26 0.96 -0.94 0.23 0.00 0.00 176.35 176.87 3dl3 s SER 87 N -1.70 6.51 0.51 2.29 1.04 -0.40 -4.93 113.70 117.02 3dl3 s SER 87 Ca 0.21 1.45 0.34 0.00 0.48 0.00 0.00 55.95 58.43 3dl3 s SER 87 Cb -0.12 -2.46 1.48 0.00 0.10 0.00 0.00 66.02 65.02 3dl3 s SER 87 CO 0.12 -0.62 1.77 0.44 0.98 0.00 0.00 173.24 175.93 3dl3 h ASP 88 N 0.67 0.09 -0.52 7.02 3.45 -2.00 -0.05 116.42 125.08 3dl3 h ASP 88 Ca -0.46 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3dl3 h ASP 88 Cb 1.19 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3dl3 h ASP 88 CO 0.62 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.39 3dl3 n ASP 89 N -4.27 3.89 -4.75 6.45 5.75 -1.26 -4.70 116.55 117.65 3dl3 n ASP 89 Ca 0.28 -2.28 -0.39 0.00 -0.01 0.00 0.00 54.79 52.40 3dl3 n ASP 89 Cb 1.26 -0.44 0.04 0.00 -1.03 0.00 0.00 41.12 40.95 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 -1.51 2.87 -0.24 2.12 0.00 -0.04 -3.75 121.76 121.22 3dl3 s ALA 90 Ca 0.41 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.70 3dl3 s ALA 90 Cb 0.25 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.92 3dl3 s ALA 90 CO 0.22 -1.37 0.39 -1.14 0.00 0.00 0.00 175.76 173.85 3dl3 s GLN 91 N -2.86 0.35 0.22 0.00 0.74 0.62 -4.35 119.66 114.39 3dl3 s GLN 91 Ca 0.70 0.63 -0.05 0.00 0.05 0.00 0.00 55.36 56.70 3dl3 s GLN 91 Cb -0.41 -0.32 -0.03 0.00 1.10 0.00 0.00 33.01 33.36 3dl3 s GLN 91 CO 0.49 -0.57 0.26 -0.59 -0.55 0.00 0.00 175.29 174.33 3dl3 s PHE 92 N 2.56 0.89 0.11 1.67 -0.71 -0.93 -2.05 117.98 119.52 3dl3 s PHE 92 Ca 0.10 -1.15 -0.07 0.00 -1.04 0.00 0.00 56.93 54.77 3dl3 s PHE 92 Cb -0.15 -0.29 -0.01 0.00 -1.21 0.00 0.00 43.02 41.36 3dl3 s PHE 92 CO -0.15 -0.78 0.16 0.54 -1.34 0.00 0.00 175.22 173.65 3dl3 s ASN 93 N -3.12 0.18 -0.09 1.98 4.22 -0.56 -0.28 114.94 117.28 3dl3 s ASN 93 Ca 0.33 -0.84 0.04 0.00 -2.14 0.00 0.00 52.86 50.25 3dl3 s ASN 93 Cb 0.04 0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.91 3dl3 s ASN 93 CO 0.11 -0.75 -0.20 -0.63 -2.04 0.00 0.00 177.10 173.59 3dl3 s ILE 94 N -3.92 1.74 -0.28 0.54 1.01 -1.26 -0.85 121.20 118.18 3dl3 s ILE 94 Ca 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3dl3 s ILE 94 Cb 0.05 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 41.01 3dl3 s ILE 94 CO -0.06 0.49 0.04 0.20 0.00 0.00 0.00 174.94 175.61 3dl3 s ASN 95 N 0.42 4.90 -0.30 3.58 0.01 -0.61 -1.22 114.94 121.72 3dl3 s ASN 95 Ca -0.17 -0.69 -0.20 0.00 -0.71 0.00 0.00 52.86 51.09 3dl3 s ASN 95 Cb -0.17 -1.83 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 3dl3 s ASN 95 CO 0.07 -0.16 0.63 -0.36 -1.51 0.00 0.00 177.10 175.77 3dl3 s PHE 96 N 1.47 3.22 0.09 2.20 0.08 -0.70 -1.30 117.98 123.04 3dl3 s PHE 96 Ca 0.02 0.62 -0.07 0.00 0.12 0.00 0.00 56.93 57.63 3dl3 s PHE 96 Cb -0.17 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.26 3dl3 s PHE 96 CO 0.01 -0.45 0.36 -1.58 -0.10 0.00 0.00 175.22 173.45 3dl3 s TRP 97 N 2.60 3.53 0.32 0.36 0.52 0.09 -0.01 118.94 126.34 3dl3 s TRP 97 Ca 0.25 0.64 -0.18 0.00 0.02 0.00 0.00 56.10 56.83 3dl3 s TRP 97 Cb -0.15 -2.05 0.05 0.00 -1.15 0.00 0.00 33.47 30.17 3dl3 s TRP 97 CO 0.11 0.50 0.83 0.45 0.02 0.00 0.00 176.95 178.87 3dl3 s SER 98 N -2.04 -0.05 0.00 2.95 0.15 -0.20 -1.34 113.70 113.16 3dl3 s SER 98 Ca 0.35 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.08 3dl3 s SER 98 Cb -0.13 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 3dl3 s SER 98 CO 0.20 -1.46 0.14 -0.67 1.20 0.00 0.00 173.24 172.66