#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 4.51 0.26 0.55 1.10 -1.26 -4.99 121.20 121.37 3dl3 s ILE 6 Ca 0.00 1.43 -0.30 0.00 -0.51 0.00 0.00 60.65 61.27 3dl3 s ILE 6 Cb 0.00 -4.40 -0.14 0.00 0.15 0.00 0.00 42.46 38.07 3dl3 s ILE 6 CO 0.00 -0.56 1.12 -2.65 -2.11 0.00 0.00 174.94 170.74 3dl3 n PRO 7 N 6.93 1.47 0.08 3.50 -0.02 -1.26 -4.87 135.00 140.84 3dl3 n PRO 7 Ca 0.10 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3dl3 n PRO 7 Cb 0.48 -1.98 0.38 0.00 -0.02 0.00 0.00 33.50 32.36 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 1.12 0.10 -0.07 -0.52 2.85 -1.26 -2.03 118.16 118.35 3dl3 n LYS 8 Ca 0.11 0.44 0.12 0.00 -1.05 0.00 0.00 58.31 57.93 3dl3 n LYS 8 Cb 0.31 -1.73 0.16 0.00 -0.65 0.00 0.00 35.03 33.11 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 -1.92 3.13 -4.90 -5.58 6.94 -1.26 -4.93 115.26 106.74 3dl3 n ASN 9 Ca 0.01 -1.98 -0.28 0.00 -0.02 0.00 0.00 54.58 52.30 3dl3 n ASN 9 Cb 0.13 -0.09 -0.01 0.00 -2.36 0.00 0.00 39.78 37.45 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 -1.81 3.56 0.22 -2.53 0.52 -0.86 -4.97 118.94 113.06 3dl3 s TRP 10 Ca 0.32 0.92 -0.00 0.00 0.02 0.00 0.00 56.10 57.36 3dl3 s TRP 10 Cb 0.21 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 3dl3 s TRP 10 CO 0.31 -0.30 0.12 0.95 0.02 0.00 0.00 176.95 178.05 3dl3 s THR 11 N -2.73 0.17 -0.24 2.01 -4.23 -1.18 -4.96 115.64 104.47 3dl3 s THR 11 Ca 0.49 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.71 3dl3 s THR 11 Cb -0.10 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 71.20 3dl3 s THR 11 CO 0.44 0.00 1.09 -0.63 -0.54 0.00 0.00 174.62 174.97 3dl3 s ILE 12 N -4.02 4.57 -0.09 2.99 1.01 -1.26 -2.43 121.20 121.97 3dl3 s ILE 12 Ca 0.39 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.96 3dl3 s ILE 12 Cb 0.07 -4.29 -0.24 0.00 0.01 0.00 0.00 42.46 38.01 3dl3 s ILE 12 CO 0.13 -0.25 0.48 0.00 0.00 0.00 0.00 174.94 175.29 3dl3 n GLN 13 N 6.52 0.69 -3.76 2.79 3.00 0.59 -4.93 117.38 122.27 3dl3 n GLN 13 Ca 0.12 0.26 -0.13 0.00 -0.01 0.00 0.00 57.00 57.25 3dl3 n GLN 13 Cb 0.46 -1.74 -0.13 0.00 0.00 0.00 0.00 30.24 28.83 3dl3 n GLN 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3dl3 s ARG 14 N -2.57 0.18 -0.13 -1.09 3.52 -1.18 -5.01 118.95 112.67 3dl3 s ARG 14 Ca -0.14 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3dl3 s ARG 14 Cb 0.07 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.43 3dl3 s ARG 14 CO 0.79 -0.11 -0.13 -1.12 -0.81 0.00 0.00 175.30 173.92 3dl3 s SER 15 N 0.80 2.48 0.62 -2.12 0.01 -1.26 0.51 113.70 114.73 3dl3 s SER 15 Ca -0.06 -0.43 -0.12 0.00 1.31 0.00 0.00 55.95 56.66 3dl3 s SER 15 Cb -0.07 -1.08 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 3dl3 s SER 15 CO -0.04 -0.04 1.03 0.28 0.41 0.00 0.00 173.24 174.88 3dl3 s THR 16 N 1.32 4.48 0.29 1.44 -1.32 -0.60 -5.01 115.64 116.24 3dl3 s THR 16 Ca 0.00 0.87 -0.05 0.00 -1.21 0.00 0.00 61.69 61.31 3dl3 s THR 16 Cb -0.14 -3.71 0.07 0.00 -1.51 0.00 0.00 72.50 67.21 3dl3 s THR 16 CO -0.07 -0.98 0.38 -0.81 -2.21 0.00 0.00 174.62 170.93 3dl3 n PRO 17 N -2.64 -0.49 -2.41 7.08 -0.04 -1.26 -4.44 135.00 130.79 3dl3 n PRO 17 Ca 0.07 -0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 62.53 3dl3 n PRO 17 Cb 0.54 -0.41 -0.04 0.00 -0.04 0.00 0.00 33.50 33.55 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 -1.83 3.49 0.12 0.54 2.99 -1.26 -4.55 117.98 117.48 3dl3 s PHE 18 Ca 0.22 1.65 0.09 0.00 0.00 0.00 0.00 56.93 58.89 3dl3 s PHE 18 Cb -0.01 -3.35 -0.04 0.00 0.00 0.00 0.00 43.02 39.62 3dl3 s PHE 18 CO 0.16 -0.78 -0.23 -0.06 -0.00 0.00 0.00 175.22 174.31 3dl3 s PHE 19 N -1.16 1.99 0.05 0.36 0.08 0.46 -4.95 117.98 114.80 3dl3 s PHE 19 Ca 0.45 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3dl3 s PHE 19 Cb -0.33 -1.07 -0.00 0.00 -0.57 0.00 0.00 43.02 41.04 3dl3 s PHE 19 CO 0.43 0.28 0.03 0.25 -0.10 0.00 0.00 175.22 176.11 3dl3 n THR 20 N 0.92 0.00 -0.06 0.64 -2.24 -1.26 -1.79 114.28 110.48 3dl3 n THR 20 Ca -0.18 -0.32 -0.02 0.00 -2.27 0.00 0.00 64.05 61.26 3dl3 n THR 20 Cb 0.54 0.15 0.23 0.00 -2.10 0.00 0.00 70.33 69.15 3dl3 n THR 20 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3dl3 h LYS 21 N 0.00 0.66 -0.13 -0.78 1.79 -1.84 -2.33 116.57 113.94 3dl3 h LYS 21 Ca -0.03 -0.16 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 3dl3 h LYS 21 Cb 0.16 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3dl3 h LYS 21 CO 0.05 0.67 -0.29 -0.44 -1.08 0.00 0.00 179.45 178.36 3dl3 h ASP 22 N 0.63 0.23 0.00 0.86 3.32 -1.95 -3.34 116.42 116.16 3dl3 h ASP 22 Ca 0.13 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3dl3 h ASP 22 Cb 0.38 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3dl3 h ASP 22 CO 0.01 0.52 -0.21 -0.46 -1.72 0.00 0.00 179.24 177.38 3dl3 n ASN 23 N -4.13 0.93 -4.70 6.45 6.94 -1.22 -5.07 115.26 114.46 3dl3 n ASN 23 Ca -0.01 -2.15 -0.42 0.00 -0.02 0.00 0.00 54.58 51.97 3dl3 n ASN 23 Cb 0.39 -0.21 -0.03 0.00 -2.36 0.00 0.00 39.78 37.57 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 -0.97 3.58 0.08 3.53 0.11 -0.88 -4.83 120.40 121.03 3dl3 s VAL 24 Ca 0.09 1.05 -0.31 0.00 -2.93 0.00 0.00 61.98 59.89 3dl3 s VAL 24 Cb 0.08 -3.67 -0.09 0.00 -1.53 0.00 0.00 36.38 31.17 3dl3 s VAL 24 CO 0.01 0.03 1.76 -2.84 -3.33 0.00 0.00 175.10 170.73 3dl3 s PRO 25 N 1.87 4.17 0.31 1.54 0.02 -1.26 -4.86 135.00 136.78 3dl3 s PRO 25 Ca 0.64 2.46 0.07 0.00 0.02 0.00 0.00 61.00 64.19 3dl3 s PRO 25 Cb -0.33 -3.68 0.80 0.00 0.02 0.00 0.00 34.50 31.31 3dl3 s PRO 25 CO 0.28 -0.81 1.73 1.49 -0.33 0.00 0.00 177.00 179.37 3dl3 h GLU 26 N 8.74 0.56 -0.64 5.54 4.81 -2.01 -0.66 114.58 130.93 3dl3 h GLU 26 Ca -0.45 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.82 3dl3 h GLU 26 Cb 1.21 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 3dl3 h GLU 26 CO 0.94 0.37 0.42 0.00 -0.73 0.00 0.00 179.01 180.01 3dl3 h ALA 27 N 1.70 1.80 -0.09 2.92 0.00 -1.97 -1.75 119.26 121.87 3dl3 h ALA 27 Ca 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.43 3dl3 h ALA 27 Cb 1.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3dl3 h ALA 27 CO -0.46 0.09 -0.22 -0.07 0.00 0.00 0.00 179.25 178.59 3dl3 h LEU 28 N 0.62 0.15 -0.11 0.00 3.38 -1.49 -2.92 115.31 114.94 3dl3 h LEU 28 Ca 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3dl3 h LEU 28 Cb 0.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dl3 h LEU 28 CO -0.09 0.39 -0.28 0.18 0.09 0.00 0.00 178.44 178.73 3dl3 n LEU 29 N -4.21 0.44 -4.92 1.67 4.77 -0.68 -4.58 117.00 109.49 3dl3 n LEU 29 Ca -0.01 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 3dl3 n LEU 29 Cb 0.32 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3dl3 n LEU 29 CO 0.38 0.10 0.49 0.28 -1.33 0.00 0.00 177.39 177.31 3dl3 s THR 30 N -2.83 3.67 -0.06 -5.08 -1.32 -1.09 -4.14 115.64 104.80 3dl3 s THR 30 Ca 0.17 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 3dl3 s THR 30 Cb 0.19 -3.44 -0.06 0.00 -1.51 0.00 0.00 72.50 67.67 3dl3 s THR 30 CO 0.59 -0.43 1.72 -2.28 -2.21 0.00 0.00 174.62 172.01 3dl3 s HIS 31 N -2.92 1.85 0.07 9.09 2.46 -1.26 -4.57 115.29 120.00 3dl3 s HIS 31 Ca 0.53 0.12 -0.06 0.00 0.47 0.00 0.00 55.06 56.12 3dl3 s HIS 31 Cb -0.10 -3.98 0.02 0.00 -0.13 0.00 0.00 32.58 28.39 3dl3 s HIS 31 CO 0.44 -4.08 0.30 -2.39 -2.47 0.00 0.00 174.74 166.54 3dl3 n HIS 32 N 7.43 -0.92 -4.01 3.88 1.44 -0.54 -4.98 115.22 117.51 3dl3 n HIS 32 Ca 0.18 -0.42 -0.10 0.00 -2.01 0.00 0.00 57.72 55.38 3dl3 n HIS 32 Cb 0.43 0.20 -0.08 0.00 0.12 0.00 0.00 29.99 30.67 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 -1.72 0.09 0.66 4.39 4.22 -1.26 -1.04 114.94 120.28 3dl3 s ASN 33 Ca 0.07 -0.96 -0.01 0.00 -2.14 0.00 0.00 52.86 49.81 3dl3 s ASN 33 Cb -0.01 0.41 0.08 0.00 1.28 0.00 0.00 41.25 43.02 3dl3 s ASN 33 CO 0.02 -0.87 0.92 0.42 -2.04 0.00 0.00 177.10 175.55 3dl3 s THR 34 N -3.99 2.35 1.12 0.54 -4.23 -1.26 -4.93 115.64 105.24 3dl3 s THR 34 Ca 0.20 -0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 3dl3 s THR 34 Cb 0.04 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.38 3dl3 s THR 34 CO 0.01 0.00 0.87 0.00 -0.54 0.00 0.00 174.62 174.97 3dl3 n ALA 35 N -2.68 -3.45 -0.30 3.99 0.00 -1.26 -2.77 120.51 114.04 3dl3 n ALA 35 Ca 0.11 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.19 3dl3 n ALA 35 Cb 0.60 -0.10 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 -0.24 0.00 0.00 0.00 177.50 177.26 3dl3 h VAL 36 N -2.84 1.03 -2.11 0.00 3.04 -1.99 -3.05 116.25 110.32 3dl3 h VAL 36 Ca -0.35 -0.31 -0.54 0.00 -1.01 0.00 0.00 66.70 64.49 3dl3 h VAL 36 Cb 1.10 0.03 -0.41 0.00 -2.01 0.00 0.00 31.29 29.99 3dl3 h VAL 36 CO 0.22 0.17 -0.88 0.47 -1.01 0.00 0.00 177.57 176.54 3dl3 n ASP 37 N -4.65 2.96 -3.82 3.17 10.43 -1.26 -4.70 116.55 118.68 3dl3 n ASP 37 Ca 0.12 -3.39 -0.17 0.00 2.57 0.00 0.00 54.79 53.91 3dl3 n ASP 37 Cb 0.18 -0.58 -0.16 0.00 1.84 0.00 0.00 41.12 42.40 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 -3.66 0.17 -0.17 2.53 1.01 -1.24 -4.17 120.40 114.87 3dl3 s VAL 38 Ca 0.45 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 3dl3 s VAL 38 Cb 0.32 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.40 3dl3 s VAL 38 CO -0.11 0.14 0.01 -0.36 0.00 0.00 0.00 175.10 174.78 3dl3 s PHE 39 N 1.03 3.13 -0.40 5.22 0.08 0.13 -3.01 117.98 124.15 3dl3 s PHE 39 Ca -0.10 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 56.71 3dl3 s PHE 39 Cb -0.13 -2.01 0.04 0.00 -0.57 0.00 0.00 43.02 40.35 3dl3 s PHE 39 CO -0.02 0.06 0.26 0.20 -0.10 0.00 0.00 175.22 175.61 3dl3 s GLY 40 N 0.35 1.97 -0.52 4.36 0.00 -0.23 -0.70 107.32 112.54 3dl3 s GLY 40 Ca -0.01 -1.84 -0.20 0.00 0.00 0.00 0.00 44.72 42.67 3dl3 s GLY 40 CO 0.02 0.91 0.71 1.62 0.00 0.00 0.00 173.10 176.35 3dl3 s GLN 41 N 1.57 3.16 -0.36 2.90 0.74 0.23 -0.46 119.66 127.44 3dl3 s GLN 41 Ca 0.03 -0.78 -0.20 0.00 0.05 0.00 0.00 55.36 54.46 3dl3 s GLN 41 Cb -0.20 -4.10 0.00 0.00 1.10 0.00 0.00 33.01 29.81 3dl3 s GLN 41 CO 0.07 -1.31 0.64 0.42 -0.55 0.00 0.00 175.29 174.55 3dl3 s ILE 42 N 2.96 4.88 -0.20 -2.34 1.01 0.13 -0.67 121.20 126.98 3dl3 s ILE 42 Ca 0.18 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.34 3dl3 s ILE 42 Cb -0.18 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3dl3 s ILE 42 CO 0.13 -0.33 0.05 0.00 0.00 0.00 0.00 174.94 174.79 3dl3 s VAL 44 N 0.74 3.60 0.63 0.00 1.01 -0.87 -1.13 120.40 124.37 3dl3 s VAL 44 Ca 0.03 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 3dl3 s VAL 44 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3dl3 s VAL 44 CO 0.02 -0.11 0.86 1.21 0.00 0.00 0.00 175.10 177.08 3dl3 n GLU 46 N -1.61 0.71 0.00 2.72 2.13 -0.66 -1.88 120.64 122.05 3dl3 n GLU 46 Ca 0.01 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.12 3dl3 n GLU 46 Cb 0.59 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3dl3 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dl3 n GLY 47 N 1.37 -0.55 2.89 8.31 0.00 -1.17 0.49 105.19 116.54 3dl3 n GLY 47 Ca 0.13 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 0.28 -0.19 1.61 1.01 -1.26 -3.48 120.40 118.36 3dl3 s VAL 48 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 3dl3 s VAL 48 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3dl3 s VAL 48 CO 0.00 0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.40 3dl3 s VAL 49 N 0.39 2.74 -0.16 2.92 1.01 -0.45 -1.81 120.40 125.04 3dl3 s VAL 49 Ca -0.04 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3dl3 s VAL 49 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3dl3 s VAL 49 CO -0.01 0.49 0.42 -0.89 0.00 0.00 0.00 175.10 175.11 3dl3 s THR 50 N 1.26 5.20 -0.12 3.92 2.01 0.19 0.15 115.64 128.26 3dl3 s THR 50 Ca 0.03 0.79 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 3dl3 s THR 50 Cb -0.14 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 3dl3 s THR 50 CO -0.06 0.29 -0.09 -0.47 -0.69 0.00 0.00 174.62 173.60 3dl3 s TYR 51 N 0.96 2.89 -0.13 4.92 5.04 0.70 -0.71 117.35 131.02 3dl3 s TYR 51 Ca 0.22 -0.37 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 3dl3 s TYR 51 Cb -0.15 -1.83 0.00 0.00 0.35 0.00 0.00 41.96 40.33 3dl3 s TYR 51 CO 0.08 -0.02 -0.20 0.71 -1.34 0.00 0.00 175.55 174.78 3dl3 s TYR 52 N 0.04 2.67 0.04 4.97 2.02 0.01 -0.78 117.35 126.33 3dl3 s TYR 52 Ca -0.03 -1.09 0.07 0.00 -0.37 0.00 0.00 57.07 55.65 3dl3 s TYR 52 Cb -0.14 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3dl3 s TYR 52 CO 0.04 -0.47 -0.17 0.20 -1.57 0.00 0.00 175.55 173.58 3dl3 s GLY 53 N 0.59 1.59 0.02 0.71 0.00 0.84 -1.66 107.32 109.41 3dl3 s GLY 53 Ca -0.11 -1.19 0.07 0.00 0.00 0.00 0.00 44.72 43.48 3dl3 s GLY 53 CO 0.03 -1.09 -0.20 -1.36 0.00 0.00 0.00 173.10 170.49 3dl3 s PHE 54 N -0.94 1.78 0.30 1.90 0.40 0.88 0.10 117.98 122.39 3dl3 s PHE 54 Ca 0.15 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 3dl3 s PHE 54 Cb -0.11 -1.10 0.48 0.00 0.51 0.00 0.00 43.02 42.80 3dl3 s PHE 54 CO 0.06 0.04 1.93 0.00 0.70 0.00 0.00 175.22 177.95 3dl3 h ALA 55 N 5.21 1.46 -2.90 5.36 0.00 -1.85 -3.36 119.26 123.18 3dl3 h ALA 55 Ca -0.41 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3dl3 h ALA 55 Cb 1.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3dl3 h ALA 55 CO 0.46 0.44 0.10 0.27 0.00 0.00 0.00 179.25 180.52 3dl3 n ASN 56 N -4.45 -1.35 0.26 0.00 0.23 -1.26 -4.92 115.26 103.76 3dl3 n ASN 56 Ca 0.12 -2.11 0.10 0.00 -0.53 0.00 0.00 54.58 52.16 3dl3 n ASN 56 Cb 0.13 2.30 0.70 0.00 -2.08 0.00 0.00 39.78 40.82 3dl3 n ASN 56 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3dl3 h SER 57 N 1.31 0.00 0.05 0.53 4.64 -1.94 -2.76 113.55 115.38 3dl3 h SER 57 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3dl3 h SER 57 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3dl3 h SER 57 CO 0.27 0.08 -0.56 -1.84 -0.87 0.00 0.00 176.83 173.91 3dl3 n GLU 58 N -4.10 0.84 -2.22 4.77 0.00 -1.26 -4.92 120.64 113.75 3dl3 n GLU 58 Ca -0.03 -0.66 -0.42 0.00 0.00 0.00 0.00 57.16 56.05 3dl3 n GLU 58 Cb 0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 3dl3 n GLU 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dl3 s ALA 59 N -2.62 3.56 -0.07 -1.84 0.00 -1.04 -4.88 121.76 114.87 3dl3 s ALA 59 Ca 0.17 1.04 0.17 0.00 0.00 0.00 0.00 51.96 53.34 3dl3 s ALA 59 Cb 0.18 -3.53 -0.26 0.00 0.00 0.00 0.00 23.12 19.51 3dl3 s ALA 59 CO 0.64 -0.63 0.39 0.25 0.00 0.00 0.00 175.76 176.41 3dl3 n THR 60 N 4.05 0.00 -3.70 0.00 -2.24 -1.26 -4.87 114.28 106.26 3dl3 n THR 60 Ca 0.11 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 3dl3 n THR 60 Cb 0.43 0.16 -0.09 0.00 -2.10 0.00 0.00 70.33 68.73 3dl3 n THR 60 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dl3 s GLU 61 N -3.15 4.10 0.42 -0.78 0.41 -1.26 -5.08 118.70 113.35 3dl3 s GLU 61 Ca -0.06 -0.26 -0.25 0.00 -0.41 0.00 0.00 54.97 53.99 3dl3 s GLU 61 Cb 0.11 -3.48 -0.08 0.00 -1.78 0.00 0.00 34.13 28.89 3dl3 s GLU 61 CO 0.71 0.14 1.28 -1.25 -0.49 0.00 0.00 175.26 175.65 3dl3 s PRO 62 N 0.81 3.92 0.05 0.39 0.04 -1.26 -4.72 135.00 134.23 3dl3 s PRO 62 Ca 0.07 2.09 0.24 0.00 0.04 0.00 0.00 61.00 63.45 3dl3 s PRO 62 Cb -0.13 -2.70 0.37 0.00 0.04 0.00 0.00 34.50 32.08 3dl3 s PRO 62 CO 0.02 -0.51 1.31 -0.85 0.04 0.00 0.00 177.00 177.02 3dl3 n GLU 63 N 0.02 0.14 -3.71 4.56 0.28 0.28 -4.86 120.64 117.36 3dl3 n GLU 63 Ca 0.04 0.03 -0.11 0.00 -0.16 0.00 0.00 57.16 56.96 3dl3 n GLU 63 Cb 0.44 -1.57 -0.11 0.00 1.43 0.00 0.00 31.44 31.63 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 -3.09 -0.02 -0.16 3.84 2.07 -1.10 -4.98 121.20 117.76 3dl3 s ILE 64 Ca 0.08 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.40 3dl3 s ILE 64 Cb 0.16 -0.58 0.04 0.00 0.13 0.00 0.00 42.46 42.20 3dl3 s ILE 64 CO 0.73 0.03 -0.05 -0.75 -1.91 0.00 0.00 174.94 172.99 3dl3 s LYS 65 N 1.18 1.40 -0.02 3.50 2.20 -1.26 -0.11 119.74 126.64 3dl3 s LYS 65 Ca -0.08 -0.50 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 3dl3 s LYS 65 Cb -0.08 -1.98 0.01 0.00 -1.51 0.00 0.00 37.83 34.27 3dl3 s LYS 65 CO -0.10 -0.43 -0.05 0.08 -0.36 0.00 0.00 175.35 174.49 3dl3 s VAL 66 N 1.65 0.45 0.24 4.02 1.01 0.04 -4.97 120.40 122.84 3dl3 s VAL 66 Ca 0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3dl3 s VAL 66 Cb -0.15 -0.42 -0.08 0.00 0.00 0.00 0.00 36.38 35.73 3dl3 s VAL 66 CO -0.08 0.16 0.64 0.68 0.00 0.00 0.00 175.10 176.50 3dl3 s VAL 67 N 0.24 4.78 -0.11 2.92 -7.23 -1.26 -0.21 120.40 119.52 3dl3 s VAL 67 Ca -0.03 0.83 0.01 0.00 -1.81 0.00 0.00 61.98 60.98 3dl3 s VAL 67 Cb -0.07 -3.68 0.02 0.00 0.56 0.00 0.00 36.38 33.22 3dl3 s VAL 67 CO -0.00 0.00 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.03 3dl3 s ILE 68 N -1.75 1.38 0.44 -0.62 1.01 0.12 -4.94 121.20 116.84 3dl3 s ILE 68 Ca 0.47 -0.55 0.08 0.00 0.00 0.00 0.00 60.65 60.65 3dl3 s ILE 68 Cb -0.12 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 41.07 3dl3 s ILE 68 CO 0.19 0.42 0.54 0.20 0.00 0.00 0.00 174.94 176.29 3dl3 s ASN 69 N 1.19 5.42 0.27 3.58 -0.87 -1.26 -1.35 114.94 121.92 3dl3 s ASN 69 Ca -0.03 -0.57 -0.29 0.00 -1.57 0.00 0.00 52.86 50.40 3dl3 s ASN 69 Cb -0.14 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.25 40.44 3dl3 s ASN 69 CO -0.04 -0.80 1.12 0.00 -2.57 0.00 0.00 177.10 174.81 3dl3 n ALA 70 N -1.81 0.07 -0.78 0.60 0.00 -1.23 -1.33 120.51 116.03 3dl3 n ALA 70 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3dl3 n ALA 70 Cb 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 1.39 0.84 3.46 0.00 0.00 -0.78 -5.03 105.19 105.05 3dl3 n GLY 71 Ca 0.10 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 -0.22 1.63 0.06 1.61 -0.21 -0.44 -5.03 119.66 117.05 3dl3 s GLN 72 Ca 0.00 -1.85 -0.11 0.00 0.02 0.00 0.00 55.36 53.41 3dl3 s GLN 72 Cb 0.00 -1.17 0.01 0.00 1.00 0.00 0.00 33.01 32.85 3dl3 s GLN 72 CO 0.00 -0.02 0.25 -0.59 -2.12 0.00 0.00 175.29 172.82 3dl3 s PHE 73 N -3.02 0.00 -0.02 0.91 -0.12 -1.26 -2.05 117.98 112.42 3dl3 s PHE 73 Ca 0.32 -0.27 0.04 0.00 -0.05 0.00 0.00 56.93 56.97 3dl3 s PHE 73 Cb 0.05 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3dl3 s PHE 73 CO 0.14 -0.52 -0.14 0.00 -0.05 0.00 0.00 175.22 174.65 3dl3 s ALA 74 N -3.08 1.19 -0.20 1.99 0.00 -0.25 -4.95 121.76 116.46 3dl3 s ALA 74 Ca -0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 3dl3 s ALA 74 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3dl3 s ALA 74 CO -0.07 0.25 -0.01 0.99 0.00 0.00 0.00 175.76 176.92 3dl3 s THR 75 N -0.12 3.84 -0.20 0.00 2.01 -1.26 0.19 115.64 120.11 3dl3 s THR 75 Ca 0.01 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3dl3 s THR 75 Cb -0.08 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3dl3 s THR 75 CO 0.00 0.43 0.41 -0.44 -0.69 0.00 0.00 174.62 174.34 3dl3 s SER 76 N 1.03 6.46 0.71 3.53 0.01 0.39 -4.91 113.70 120.92 3dl3 s SER 76 Ca 0.02 0.55 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 3dl3 s SER 76 Cb -0.14 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.86 3dl3 s SER 76 CO 0.01 -0.08 1.07 -2.16 0.41 0.00 0.00 173.24 172.49 3dl3 s PRO 77 N 1.28 2.85 -0.17 12.44 0.04 -1.26 -1.07 135.00 149.11 3dl3 s PRO 77 Ca 0.20 0.80 -0.41 0.00 0.04 0.00 0.00 61.00 61.63 3dl3 s PRO 77 Cb -0.15 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 3dl3 s PRO 77 CO 0.08 -1.12 1.46 -2.30 0.04 0.00 0.00 177.00 175.17 3dl3 n PRO 78 N -3.12 0.65 -1.34 0.56 -0.02 -1.17 -1.92 135.00 128.65 3dl3 n PRO 78 Ca 0.07 0.24 -0.12 0.00 -2.02 0.00 0.00 63.50 61.67 3dl3 n PRO 78 Cb 0.55 -1.83 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.50 -1.28 -3.03 -0.52 6.02 -1.11 -4.96 117.38 116.00 3dl3 n GLN 79 Ca 0.24 0.88 -0.40 0.00 -0.01 0.00 0.00 57.00 57.71 3dl3 n GLN 79 Cb 0.09 -5.07 -0.05 0.00 1.02 0.00 0.00 30.24 26.23 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 -2.19 3.65 -0.12 1.08 5.04 -0.81 -4.80 117.35 119.20 3dl3 s TYR 80 Ca 0.00 1.34 -0.26 0.00 -2.44 0.00 0.00 57.07 55.71 3dl3 s TYR 80 Cb 0.00 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 3dl3 s TYR 80 CO 0.00 0.18 0.84 -1.58 -1.34 0.00 0.00 175.55 173.65 3dl3 s TRP 81 N 0.40 3.49 0.35 4.97 0.52 -1.26 -4.17 118.94 123.24 3dl3 s TRP 81 Ca 0.38 1.34 -0.12 0.00 0.02 0.00 0.00 56.10 57.71 3dl3 s TRP 81 Cb -0.19 -3.00 0.03 0.00 -1.15 0.00 0.00 33.47 29.16 3dl3 s TRP 81 CO 0.20 -0.15 0.67 -3.38 0.02 0.00 0.00 176.95 174.31 3dl3 s HIS 82 N 1.75 0.37 -0.07 -1.98 -3.43 -0.21 -0.09 115.29 111.64 3dl3 s HIS 82 Ca 0.41 -0.87 -0.28 0.00 -0.80 0.00 0.00 55.06 53.52 3dl3 s HIS 82 Cb -0.17 0.51 0.06 0.00 -1.43 0.00 0.00 32.58 31.55 3dl3 s HIS 82 CO 0.16 -1.36 0.64 -0.98 -2.00 0.00 0.00 174.74 171.19 3dl3 s ARG 83 N -2.86 0.98 0.03 -0.38 1.70 -0.67 -1.47 118.95 116.29 3dl3 s ARG 83 Ca 0.20 0.29 0.06 0.00 -0.47 0.00 0.00 55.73 55.81 3dl3 s ARG 83 Cb -0.04 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3dl3 s ARG 83 CO 0.13 -0.28 -0.18 0.96 -1.08 0.00 0.00 175.30 174.85 3dl3 s ILE 84 N -1.01 1.41 -0.01 4.99 -4.36 -1.26 -0.81 121.20 120.14 3dl3 s ILE 84 Ca -0.10 -1.03 0.05 0.00 -0.26 0.00 0.00 60.65 59.31 3dl3 s ILE 84 Cb -0.01 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.44 3dl3 s ILE 84 CO 0.08 0.17 -0.16 -1.61 0.24 0.00 0.00 174.94 173.66 3dl3 s GLU 85 N -1.01 2.32 -0.01 0.37 2.02 0.11 -4.68 118.70 117.82 3dl3 s GLU 85 Ca 0.05 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.25 3dl3 s GLU 85 Cb -0.08 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 3dl3 s GLU 85 CO 0.01 0.59 -0.03 -0.51 0.02 0.00 0.00 175.26 175.34 3dl3 s LEU 86 N -0.98 3.36 1.03 1.80 1.43 -1.26 -0.63 118.68 123.42 3dl3 s LEU 86 Ca 0.13 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 3dl3 s LEU 86 Cb -0.11 -1.90 0.23 0.00 0.03 0.00 0.00 46.19 44.45 3dl3 s LEU 86 CO 0.02 0.29 1.29 -0.94 0.23 0.00 0.00 176.35 177.24 3dl3 s SER 87 N -1.40 2.50 0.24 2.29 1.04 -0.75 -4.96 113.70 112.66 3dl3 s SER 87 Ca 0.18 0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.90 3dl3 s SER 87 Cb -0.11 -0.35 0.27 0.00 0.10 0.00 0.00 66.02 65.93 3dl3 s SER 87 CO 0.08 -3.12 1.64 0.44 0.98 0.00 0.00 173.24 173.27 3dl3 h ASP 88 N -1.90 0.61 -0.73 7.02 5.19 -2.00 -3.15 116.42 121.46 3dl3 h ASP 88 Ca -0.44 -0.24 -0.37 0.00 -0.62 0.00 0.00 57.03 55.36 3dl3 h ASP 88 Cb 1.24 -0.17 -0.22 0.00 0.18 0.00 0.00 39.33 40.36 3dl3 h ASP 88 CO 0.35 0.88 0.35 -0.90 -3.12 0.00 0.00 179.24 176.79 3dl3 n ASP 89 N -4.08 3.26 -4.72 6.45 5.75 -1.26 -4.70 116.55 117.24 3dl3 n ASP 89 Ca -0.01 -3.67 -0.42 0.00 -0.01 0.00 0.00 54.79 50.69 3dl3 n ASP 89 Cb 0.46 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 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 -3.27 3.39 -0.08 2.12 0.00 -1.19 -3.02 121.76 119.71 3dl3 s ALA 90 Ca 0.52 0.86 -0.00 0.00 0.00 0.00 0.00 51.96 53.33 3dl3 s ALA 90 Cb 0.45 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 20.18 3dl3 s ALA 90 CO 0.06 -0.37 -0.05 -1.14 0.00 0.00 0.00 175.76 174.27 3dl3 s GLN 91 N 0.47 1.08 0.22 0.00 0.74 0.18 -4.26 119.66 118.10 3dl3 s GLN 91 Ca 0.55 -0.11 -0.16 0.00 0.05 0.00 0.00 55.36 55.69 3dl3 s GLN 91 Cb -0.30 -1.21 0.01 0.00 1.10 0.00 0.00 33.01 32.62 3dl3 s GLN 91 CO 0.32 -0.21 0.51 -0.59 -0.55 0.00 0.00 175.29 174.76 3dl3 s PHE 92 N 1.54 0.07 0.17 1.67 -0.71 -0.74 -1.66 117.98 118.32 3dl3 s PHE 92 Ca -0.00 -0.44 -0.06 0.00 -1.04 0.00 0.00 56.93 55.39 3dl3 s PHE 92 Cb -0.13 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 3dl3 s PHE 92 CO -0.04 -0.96 0.22 0.54 -1.34 0.00 0.00 175.22 173.64 3dl3 s ASN 93 N -2.93 0.11 -0.01 1.98 4.22 -0.29 -0.41 114.94 117.61 3dl3 s ASN 93 Ca 0.14 -1.04 0.03 0.00 -2.14 0.00 0.00 52.86 49.85 3dl3 s ASN 93 Cb -0.01 0.41 -0.01 0.00 1.28 0.00 0.00 41.25 42.92 3dl3 s ASN 93 CO 0.02 -0.87 -0.11 -0.63 -2.04 0.00 0.00 177.10 173.47 3dl3 s ILE 94 N -4.02 0.89 -0.13 0.54 1.01 -1.26 -0.54 121.20 117.68 3dl3 s ILE 94 Ca 0.23 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 3dl3 s ILE 94 Cb 0.04 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 3dl3 s ILE 94 CO 0.03 0.26 -0.10 0.20 0.00 0.00 0.00 174.94 175.33 3dl3 s ASN 95 N -0.16 4.32 -0.27 3.58 0.01 0.16 -1.56 114.94 121.02 3dl3 s ASN 95 Ca 0.03 -0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 3dl3 s ASN 95 Cb -0.05 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 39.95 3dl3 s ASN 95 CO -0.00 0.18 0.14 -0.36 -1.51 0.00 0.00 177.10 175.56 3dl3 s PHE 96 N 0.25 3.17 -0.10 2.20 0.08 0.18 -0.60 117.98 123.15 3dl3 s PHE 96 Ca -0.07 -0.10 -0.03 0.00 0.12 0.00 0.00 56.93 56.85 3dl3 s PHE 96 Cb -0.15 -2.32 -0.03 0.00 -0.57 0.00 0.00 43.02 39.94 3dl3 s PHE 96 CO 0.04 -0.24 0.03 -1.58 -0.10 0.00 0.00 175.22 173.37 3dl3 s TRP 97 N 1.70 3.24 0.17 0.36 0.52 0.13 -0.30 118.94 124.75 3dl3 s TRP 97 Ca 0.07 0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.28 3dl3 s TRP 97 Cb -0.16 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.32 3dl3 s TRP 97 CO 0.08 0.46 0.37 -1.54 0.02 0.00 0.00 176.95 176.33 3dl3 s SER 98 N -0.72 -0.07 0.47 2.95 1.04 -1.02 -0.70 113.70 115.66 3dl3 s SER 98 Ca 0.12 -0.70 0.31 0.00 0.48 0.00 0.00 55.95 56.15 3dl3 s SER 98 Cb -0.12 0.48 1.25 0.00 0.10 0.00 0.00 66.02 67.73 3dl3 s SER 98 CO 0.02 -0.94 1.90 -0.78 0.98 0.00 0.00 173.24 174.43 3dl3 h ASP 99 N 2.43 0.00 0.00 7.02 3.58 -1.88 -3.13 116.42 124.44 3dl3 h ASP 99 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3dl3 h ASP 99 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 3dl3 h ASP 99 CO 0.45 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.81