#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl3 s SER 2 N 0.00 3.60 -0.72 1.61 1.04 -1.26 -5.08 113.70 112.89 2dl3 s SER 2 Ca 0.00 -1.21 -0.27 0.00 0.48 0.00 0.00 55.95 54.95 2dl3 s SER 2 Cb 0.00 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.24 2dl3 s SER 2 CO 0.00 -0.31 1.34 -0.44 0.98 0.00 0.00 173.24 174.81 2dl3 s SER 3 N 1.60 6.07 0.00 7.02 0.01 -1.26 -4.68 113.70 122.47 2dl3 s SER 3 Ca 0.01 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2dl3 s SER 3 Cb -0.18 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2dl3 s SER 3 CO -0.12 -1.89 0.00 0.61 0.41 0.00 0.00 173.24 172.26 2dl3 n GLY 4 N 5.40 0.11 3.14 3.44 0.00 -1.26 -5.16 105.19 110.87 2dl3 n GLY 4 Ca 0.05 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 2dl3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl3 s SER 5 N 2.00 -0.31 0.08 1.61 0.15 -1.26 -5.16 113.70 110.80 2dl3 s SER 5 Ca 0.00 0.60 0.08 0.00 0.70 0.00 0.00 55.95 57.33 2dl3 s SER 5 Cb 0.00 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2dl3 s SER 5 CO 0.00 -0.13 -0.21 -0.94 1.20 0.00 0.00 173.24 173.16 2dl3 s SER 6 N 0.69 2.54 0.33 5.45 1.04 -1.26 -5.15 113.70 117.35 2dl3 s SER 6 Ca -0.04 -0.62 0.07 0.00 0.48 0.00 0.00 55.95 55.84 2dl3 s SER 6 Cb -0.06 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.86 2dl3 s SER 6 CO -0.04 0.11 0.27 0.61 0.98 0.00 0.00 173.24 175.16 2dl3 n GLY 7 N 1.41 2.95 3.27 7.32 0.00 -1.26 -4.44 105.19 114.44 2dl3 n GLY 7 Ca -0.18 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.66 2dl3 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dl3 s ARG 8 N -3.35 1.53 0.08 1.61 0.52 0.13 -4.79 118.95 114.68 2dl3 s ARG 8 Ca 0.38 -0.96 -0.31 0.00 -0.52 0.00 0.00 55.73 54.32 2dl3 s ARG 8 Cb 0.02 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.78 2dl3 s ARG 8 CO 0.27 0.42 1.39 -1.25 0.02 0.00 0.00 175.30 176.15 2dl3 s PRO 9 N -1.11 4.31 -0.03 3.54 0.04 -1.26 -0.14 135.00 140.35 2dl3 s PRO 9 Ca 0.09 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 2dl3 s PRO 9 Cb -0.09 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.12 2dl3 s PRO 9 CO 0.02 -0.47 0.06 0.00 0.04 0.00 0.00 177.00 176.64 2dl3 s ALA 10 N 1.51 -0.04 -0.04 8.56 0.00 0.26 -2.12 121.76 129.90 2dl3 s ALA 10 Ca 0.64 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 2dl3 s ALA 10 Cb -0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2dl3 s ALA 10 CO 0.29 -0.09 0.09 0.50 0.00 0.00 0.00 175.76 176.55 2dl3 s ARG 11 N 0.80 3.17 -0.53 0.00 3.52 -0.60 -0.21 118.95 125.09 2dl3 s ARG 11 Ca -0.06 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 54.91 2dl3 s ARG 11 Cb -0.09 -2.94 0.04 0.00 -1.56 0.00 0.00 34.95 30.40 2dl3 s ARG 11 CO -0.03 0.68 0.92 0.00 -0.81 0.00 0.00 175.30 176.06 2dl3 s ALA 12 N -1.13 3.18 0.30 6.12 0.00 -0.91 0.18 121.76 129.50 2dl3 s ALA 12 Ca 0.20 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.98 2dl3 s ALA 12 Cb -0.12 -3.69 0.46 0.00 0.00 0.00 0.00 23.12 19.77 2dl3 s ALA 12 CO 0.11 -2.31 1.79 0.87 0.00 0.00 0.00 175.76 176.21 2dl3 h LYS 13 N 9.26 0.57 -4.96 0.00 1.57 -0.57 0.11 116.57 122.55 2dl3 h LYS 13 Ca -0.26 -0.16 -0.42 0.00 -1.87 0.00 0.00 60.65 57.94 2dl3 h LYS 13 Cb 1.08 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 2dl3 h LYS 13 CO 1.07 0.67 -0.58 -0.06 -0.57 0.00 0.00 179.45 179.98 2dl3 s PHE 14 N -4.79 1.66 -0.03 -1.35 0.08 -1.02 -4.77 117.98 107.76 2dl3 s PHE 14 Ca -0.08 -1.22 -0.26 0.00 0.12 0.00 0.00 56.93 55.49 2dl3 s PHE 14 Cb 0.15 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2dl3 s PHE 14 CO 0.79 -0.34 0.81 0.16 -0.10 0.00 0.00 175.22 176.54 2dl3 s ASP 15 N -3.40 7.15 0.00 1.36 -4.77 -1.26 -3.80 116.67 111.96 2dl3 s ASP 15 Ca 0.35 1.39 0.06 0.00 -3.30 0.00 0.00 52.55 51.06 2dl3 s ASP 15 Cb 0.06 -2.48 -0.03 0.00 -1.09 0.00 0.00 42.92 39.39 2dl3 s ASP 15 CO 0.15 -0.15 -0.19 0.12 0.70 0.00 0.00 175.17 175.80 2dl3 s PHE 16 N 0.76 2.54 -0.20 2.11 2.19 0.40 -4.96 117.98 120.82 2dl3 s PHE 16 Ca 0.43 -0.28 -0.01 0.00 0.33 0.00 0.00 56.93 57.40 2dl3 s PHE 16 Cb -0.19 -1.51 0.01 0.00 -1.31 0.00 0.00 43.02 40.01 2dl3 s PHE 16 CO 0.22 0.17 -0.12 0.15 1.83 0.00 0.00 175.22 177.47 2dl3 s LYS 17 N -1.05 3.16 -0.41 10.12 1.02 -1.26 -1.81 119.74 129.51 2dl3 s LYS 17 Ca 0.13 -0.74 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 2dl3 s LYS 17 Cb -0.10 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 2dl3 s LYS 17 CO 0.02 -0.21 0.65 0.00 -0.92 0.00 0.00 175.35 174.89 2dl3 s ALA 18 N 1.38 3.38 0.17 5.17 0.00 -1.26 -4.89 121.76 125.71 2dl3 s ALA 18 Ca 0.05 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 2dl3 s ALA 18 Cb -0.14 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2dl3 s ALA 18 CO -0.08 -1.64 1.55 -0.56 0.00 0.00 0.00 175.76 175.03 2dl3 h GLN 19 N 8.74 0.96 -4.67 0.00 3.07 -1.97 -3.46 115.11 117.78 2dl3 h GLN 19 Ca -0.26 -0.42 -0.35 0.00 0.09 0.00 0.00 58.65 57.71 2dl3 h GLN 19 Cb 1.10 -0.03 -0.13 0.00 0.08 0.00 0.00 27.48 28.50 2dl3 h GLN 19 CO 0.88 1.09 -0.50 0.95 0.09 0.00 0.00 178.83 181.34 2dl3 s THR 20 N -4.63 0.00 0.21 1.86 -4.23 -1.26 -5.05 115.64 102.54 2dl3 s THR 20 Ca -0.11 -1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 2dl3 s THR 20 Cb 0.12 -2.50 0.22 0.00 1.34 0.00 0.00 72.50 71.68 2dl3 s THR 20 CO 0.87 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.84 2dl3 h LEU 21 N 2.33 -0.48 -0.75 4.79 5.85 -1.96 -1.08 115.31 124.01 2dl3 h LEU 21 Ca -0.30 0.17 0.16 0.00 0.84 0.00 0.00 57.88 58.76 2dl3 h LEU 21 Cb 1.24 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 42.47 2dl3 h LEU 21 CO 0.43 -0.18 -0.14 1.17 -0.34 0.00 0.00 178.44 179.38 2dl3 n LYS 22 N -5.38 -0.07 -3.78 1.25 0.00 -1.26 -4.29 118.16 104.64 2dl3 n LYS 22 Ca 0.08 1.16 -0.26 0.00 0.00 0.00 0.00 58.31 59.29 2dl3 n LYS 22 Cb 0.33 -1.76 -0.03 0.00 0.00 0.00 0.00 35.03 33.58 2dl3 n LYS 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dl3 s GLU 23 N -5.88 3.48 -0.08 1.64 2.02 -0.41 -2.15 118.70 117.32 2dl3 s GLU 23 Ca -0.11 -0.48 0.05 0.00 0.02 0.00 0.00 54.97 54.45 2dl3 s GLU 23 Cb 0.21 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 2dl3 s GLU 23 CO 0.59 0.42 -0.23 -1.17 0.02 0.00 0.00 175.26 174.88 2dl3 s LEU 24 N -3.48 2.18 0.22 1.80 2.96 -0.80 -4.63 118.68 116.93 2dl3 s LEU 24 Ca 0.37 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 2dl3 s LEU 24 Cb -0.11 -1.42 -0.09 0.00 0.50 0.00 0.00 46.19 45.08 2dl3 s LEU 24 CO 0.29 0.22 1.28 -2.16 -1.32 0.00 0.00 176.35 174.66 2dl3 s PRO 25 N 0.02 4.41 0.15 0.98 0.04 -1.26 -4.52 135.00 134.81 2dl3 s PRO 25 Ca -0.08 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.07 2dl3 s PRO 25 Cb -0.15 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2dl3 s PRO 25 CO 0.05 -0.19 -0.15 -0.51 0.04 0.00 0.00 177.00 176.24 2dl3 s LEU 26 N -0.48 2.44 0.03 -3.56 1.43 -0.75 -4.96 118.68 112.84 2dl3 s LEU 26 Ca 0.54 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 2dl3 s LEU 26 Cb -0.36 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2dl3 s LEU 26 CO 0.40 -0.14 -0.12 -1.10 0.23 0.00 0.00 176.35 175.63 2dl3 s GLN 27 N -2.93 0.85 -0.25 1.70 -0.21 -1.26 -0.45 119.66 117.11 2dl3 s GLN 27 Ca 0.13 -0.65 -0.35 0.00 0.02 0.00 0.00 55.36 54.51 2dl3 s GLN 27 Cb -0.04 -0.82 -0.11 0.00 1.00 0.00 0.00 33.01 33.04 2dl3 s GLN 27 CO 0.04 0.21 2.05 1.17 -2.12 0.00 0.00 175.29 176.64 2dl3 n LYS 28 N 2.08 1.51 -0.96 2.91 4.81 -1.25 -0.90 118.16 126.36 2dl3 n LYS 28 Ca -0.17 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2dl3 n LYS 28 Cb 0.55 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.04 2dl3 n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dl3 n GLY 29 N 5.56 1.12 3.55 3.14 0.00 0.37 -4.98 105.19 113.96 2dl3 n GLY 29 Ca 0.33 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 2dl3 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dl3 s ASP 30 N -2.51 5.52 -0.19 1.61 1.11 -0.08 -4.86 116.67 117.27 2dl3 s ASP 30 Ca 0.00 -0.05 -0.25 0.00 0.18 0.00 0.00 52.55 52.43 2dl3 s ASP 30 Cb 0.00 -1.98 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 2dl3 s ASP 30 CO 0.00 0.05 0.85 -0.63 1.18 0.00 0.00 175.17 176.61 2dl3 s ILE 31 N 1.14 4.85 0.24 0.77 -1.09 -1.26 -2.15 121.20 123.71 2dl3 s ILE 31 Ca 0.05 1.64 0.08 0.00 -2.23 0.00 0.00 60.65 60.19 2dl3 s ILE 31 Cb -0.14 -4.14 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 2dl3 s ILE 31 CO 0.04 -0.02 -0.12 0.68 -1.23 0.00 0.00 174.94 174.29 2dl3 s VAL 32 N 2.42 1.79 -0.27 2.92 -7.23 0.71 -4.94 120.40 115.81 2dl3 s VAL 32 Ca 0.38 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2dl3 s VAL 32 Cb -0.16 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.61 2dl3 s VAL 32 CO 0.10 -0.47 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.07 2dl3 s TYR 33 N -2.93 3.16 -0.23 2.82 2.02 -1.25 -0.57 117.35 120.38 2dl3 s TYR 33 Ca 0.26 -1.76 -0.23 0.00 -0.37 0.00 0.00 57.07 54.97 2dl3 s TYR 33 Cb 0.00 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2dl3 s TYR 33 CO 0.09 -0.77 0.74 0.42 -1.57 0.00 0.00 175.55 174.46 2dl3 s ILE 34 N 1.27 4.91 -0.13 2.71 1.01 0.80 -2.65 121.20 129.12 2dl3 s ILE 34 Ca -0.03 1.40 -0.14 0.00 0.00 0.00 0.00 60.65 61.88 2dl3 s ILE 34 Cb -0.18 -4.04 -0.26 0.00 0.01 0.00 0.00 42.46 37.99 2dl3 s ILE 34 CO -0.03 -0.00 0.45 1.88 0.00 0.00 0.00 174.94 177.24 2dl3 h TYR 35 N 7.65 0.38 -3.93 3.97 0.05 -0.99 0.38 116.97 124.47 2dl3 h TYR 35 Ca -0.26 -0.28 -0.10 0.00 0.05 0.00 0.00 58.73 58.14 2dl3 h TYR 35 Cb 1.11 -0.02 -0.14 0.00 1.01 0.00 0.00 36.73 38.70 2dl3 h TYR 35 CO 0.74 1.60 -0.40 -1.59 -1.05 0.00 0.00 178.16 177.46 2dl3 s LYS 36 N -2.48 0.95 -0.34 4.88 0.00 -1.19 -4.83 119.74 116.74 2dl3 s LYS 36 Ca -0.22 -1.11 -0.14 0.00 0.00 0.00 0.00 55.97 54.50 2dl3 s LYS 36 Cb 0.05 0.34 -0.02 0.00 0.00 0.00 0.00 37.83 38.20 2dl3 s LYS 36 CO 0.74 -0.31 0.30 -1.14 0.00 0.00 0.00 175.35 174.94 2dl3 s GLN 37 N -3.92 3.57 0.01 1.78 0.74 -1.26 -1.56 119.66 119.02 2dl3 s GLN 37 Ca 0.12 -0.49 -0.16 0.00 0.05 0.00 0.00 55.36 54.88 2dl3 s GLN 37 Cb 0.05 -3.79 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 2dl3 s GLN 37 CO -0.05 -0.46 0.98 0.82 -0.55 0.00 0.00 175.29 176.02 2dl3 h ILE 38 N 5.50 0.00 -4.66 -2.34 1.08 -1.79 -3.48 117.51 111.83 2dl3 h ILE 38 Ca -0.31 -0.15 -0.49 0.00 -0.39 0.00 0.00 64.86 63.53 2dl3 h ILE 38 Cb 1.15 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.80 2dl3 h ILE 38 CO 0.66 0.00 -0.40 0.47 -0.69 0.00 0.00 178.15 178.19 2dl3 n ASP 39 N -3.94 1.49 0.16 1.72 8.00 -1.23 -4.96 116.55 117.80 2dl3 n ASP 39 Ca -0.07 -2.85 0.13 0.00 0.71 0.00 0.00 54.79 52.71 2dl3 n ASP 39 Cb 0.22 0.79 0.57 0.00 -0.02 0.00 0.00 41.12 42.68 2dl3 n ASP 39 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2dl3 h GLN 40 N 0.00 0.00 0.00 -1.24 4.15 -2.03 -2.75 115.11 113.24 2dl3 h GLN 40 Ca -0.28 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.09 2dl3 h GLN 40 Cb 1.04 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.64 2dl3 h GLN 40 CO 0.45 0.00 -0.51 0.09 -1.93 0.00 0.00 178.83 176.93 2dl3 n ASN 41 N -2.38 0.99 -4.18 -0.69 4.13 -1.26 -4.98 115.26 106.89 2dl3 n ASN 41 Ca 0.01 -2.49 -0.11 0.00 1.68 0.00 0.00 54.58 53.66 2dl3 n ASN 41 Cb 0.18 -0.32 -0.10 0.00 -1.54 0.00 0.00 39.78 38.01 2dl3 n ASN 41 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2dl3 s TRP 42 N -1.07 1.04 0.30 3.10 0.52 -1.04 -2.05 118.94 119.75 2dl3 s TRP 42 Ca 0.20 -1.31 -0.05 0.00 0.02 0.00 0.00 56.10 54.96 2dl3 s TRP 42 Cb 0.20 -0.51 -0.00 0.00 -1.15 0.00 0.00 33.47 32.01 2dl3 s TRP 42 CO -0.04 -0.62 0.45 0.71 0.02 0.00 0.00 176.95 177.46 2dl3 s TYR 43 N -4.12 0.88 -0.08 -1.98 2.02 0.99 -3.52 117.35 111.53 2dl3 s TYR 43 Ca 0.34 -1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 55.86 2dl3 s TYR 43 Cb 0.07 -0.05 0.05 0.00 -0.40 0.00 0.00 41.96 41.63 2dl3 s TYR 43 CO 0.09 -1.06 0.16 -2.00 -1.57 0.00 0.00 175.55 171.18 2dl3 s GLU 44 N -3.41 0.05 0.00 -0.62 2.12 -0.60 -1.90 118.70 114.35 2dl3 s GLU 44 Ca 0.29 0.53 0.00 0.00 0.36 0.00 0.00 54.97 56.15 2dl3 s GLU 44 Cb 0.00 -0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.15 2dl3 s GLU 44 CO 0.16 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2dl3 n GLY 45 N 5.06 3.40 3.40 -1.50 0.00 -1.04 -0.47 105.19 114.03 2dl3 n GLY 45 Ca -0.10 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 2dl3 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dl3 s GLU 46 N 0.34 1.47 -0.30 1.61 2.12 -1.08 -2.02 118.70 120.83 2dl3 s GLU 46 Ca 0.00 -1.63 -0.04 0.00 0.36 0.00 0.00 54.97 53.66 2dl3 s GLU 46 Cb 0.00 -1.47 0.18 0.00 0.26 0.00 0.00 34.13 33.10 2dl3 s GLU 46 CO 0.00 0.27 0.71 -1.58 -0.54 0.00 0.00 175.26 174.12 2dl3 s HIS 47 N -2.53 -1.35 -1.33 5.30 2.46 0.18 -3.79 115.29 114.23 2dl3 s HIS 47 Ca 0.24 1.50 -0.06 0.00 0.47 0.00 0.00 55.06 57.22 2dl3 s HIS 47 Cb -0.04 0.50 0.02 0.00 -0.13 0.00 0.00 32.58 32.93 2dl3 s HIS 47 CO 0.10 -0.73 1.03 1.58 -2.47 0.00 0.00 174.74 174.24 2dl3 n HIS 48 N 5.43 -2.44 -2.05 3.88 -0.00 -1.26 -1.82 115.22 116.96 2dl3 n HIS 48 Ca -0.03 0.95 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 2dl3 n HIS 48 Cb 0.51 -4.80 -0.01 0.00 -0.00 0.00 0.00 29.99 25.69 2dl3 n HIS 48 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2dl3 n GLY 49 N -1.62 0.13 2.85 1.57 0.00 -1.26 -5.02 105.19 101.85 2dl3 n GLY 49 Ca -0.13 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.17 2dl3 n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dl3 s ARG 50 N -4.24 0.89 -0.12 1.61 3.52 -0.76 -5.14 118.95 114.71 2dl3 s ARG 50 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 2dl3 s ARG 50 Cb 0.00 -1.03 -0.03 0.00 -1.56 0.00 0.00 34.95 32.33 2dl3 s ARG 50 CO 0.00 -0.19 -0.03 0.08 -0.81 0.00 0.00 175.30 174.35 2dl3 s VAL 51 N 1.42 3.97 0.00 7.11 1.01 -1.26 0.49 120.40 133.14 2dl3 s VAL 51 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2dl3 s VAL 51 Cb -0.13 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2dl3 s VAL 51 CO -0.03 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2dl3 n GLY 52 N 2.98 2.48 3.33 4.51 0.00 -0.86 -4.88 105.19 112.76 2dl3 n GLY 52 Ca -0.18 -0.53 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 2dl3 n GLY 52 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dl3 s ILE 53 N -1.75 1.51 -0.11 -0.61 -4.36 -0.91 -2.48 121.20 112.47 2dl3 s ILE 53 Ca 0.00 -2.14 -0.30 0.00 -0.26 0.00 0.00 60.65 57.94 2dl3 s ILE 53 Cb 0.00 -2.07 0.10 0.00 1.25 0.00 0.00 42.46 41.74 2dl3 s ILE 53 CO 0.00 -0.58 0.86 0.72 0.24 0.00 0.00 174.94 176.18 2dl3 s PHE 54 N -3.12 -0.50 0.25 1.37 -0.12 -0.80 -1.91 117.98 113.16 2dl3 s PHE 54 Ca 0.22 0.87 -0.30 0.00 -0.05 0.00 0.00 56.93 57.68 2dl3 s PHE 54 Cb 0.01 0.43 -0.09 0.00 -0.63 0.00 0.00 43.02 42.74 2dl3 s PHE 54 CO 0.06 -0.46 1.27 -1.25 -0.05 0.00 0.00 175.22 174.79 2dl3 s PRO 55 N -1.11 4.43 0.12 1.99 0.04 -1.26 -0.01 135.00 139.20 2dl3 s PRO 55 Ca -0.06 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 2dl3 s PRO 55 Cb -0.00 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.32 2dl3 s PRO 55 CO 0.05 -0.14 1.77 -0.09 0.04 0.00 0.00 177.00 178.63 2dl3 h ARG 56 N 4.48 0.22 -1.47 4.56 1.12 -1.69 -1.99 114.38 119.61 2dl3 h ARG 56 Ca -0.46 -0.01 0.43 0.00 -1.11 0.00 0.00 59.98 58.82 2dl3 h ARG 56 Cb 1.22 -0.05 -0.07 0.00 -0.01 0.00 0.00 29.97 31.06 2dl3 h ARG 56 CO 0.72 0.15 1.05 1.79 -3.11 0.00 0.00 179.97 180.56 2dl3 h THR 57 N 0.23 0.25 -0.05 0.20 1.35 -1.93 1.04 112.91 114.00 2dl3 h THR 57 Ca 0.08 -0.01 -0.22 0.00 -0.55 0.00 0.00 66.41 65.71 2dl3 h THR 57 Cb 0.01 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 2dl3 h THR 57 CO -0.04 0.00 -0.86 1.88 -0.25 0.00 0.00 175.52 176.25 2dl3 h TYR 58 N 0.03 0.73 -5.09 4.73 -1.99 -1.75 -3.47 116.97 110.16 2dl3 h TYR 58 Ca 0.72 -0.36 -0.31 0.00 2.00 0.00 0.00 58.73 60.78 2dl3 h TYR 58 Cb 2.78 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 41.40 2dl3 h TYR 58 CO -0.00 1.17 -0.13 0.44 -0.00 0.00 0.00 178.16 179.63 2dl3 n ILE 59 N -3.82 0.00 -3.69 -2.88 -6.64 0.36 0.15 119.36 102.84 2dl3 n ILE 59 Ca -0.07 -1.18 -0.11 0.00 -1.77 0.00 0.00 62.75 59.63 2dl3 n ILE 59 Cb 0.79 -0.32 -0.11 0.00 -1.44 0.00 0.00 39.64 38.55 2dl3 n ILE 59 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 2dl3 s GLU 60 N -3.28 0.32 -0.13 6.28 -1.05 0.13 -4.69 118.70 116.28 2dl3 s GLU 60 Ca 0.20 0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 55.50 2dl3 s GLU 60 Cb -0.02 0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.65 2dl3 s GLU 60 CO 0.13 -0.19 1.69 -0.51 0.95 0.00 0.00 175.26 177.33 2dl3 s LEU 61 N 1.69 4.10 0.40 1.83 1.43 -1.26 -1.56 118.68 125.30 2dl3 s LEU 61 Ca -0.07 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 2dl3 s LEU 61 Cb -0.10 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.50 2dl3 s LEU 61 CO -0.11 -1.13 1.05 -0.76 0.23 0.00 0.00 176.35 175.62 2dl3 s LEU 62 N 4.80 4.14 0.16 1.79 1.43 -0.90 -4.98 118.68 125.12 2dl3 s LEU 62 Ca 0.75 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.96 2dl3 s LEU 62 Cb -0.30 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 41.69 2dl3 s LEU 62 CO 0.30 -0.49 -0.17 -0.55 0.23 0.00 0.00 176.35 175.68 2dl3 s SER 63 N -1.57 2.50 0.00 2.29 0.15 -1.26 -4.84 113.70 110.97 2dl3 s SER 63 Ca 0.58 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2dl3 s SER 63 Cb -0.22 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 2dl3 s SER 63 CO 0.27 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dl3 n GLY 64 N 0.23 -2.39 3.77 9.45 0.00 -1.26 -4.94 105.19 110.05 2dl3 n GLY 64 Ca -0.13 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 2dl3 n GLY 64 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl3 s PRO 65 N -0.42 3.65 -0.02 1.61 0.04 -1.26 -5.06 135.00 133.55 2dl3 s PRO 65 Ca 0.00 1.73 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2dl3 s PRO 65 Cb 0.00 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2dl3 s PRO 65 CO 0.00 -0.63 -0.18 -1.12 0.04 0.00 0.00 177.00 175.11 2dl3 s SER 66 N -1.47 2.17 -0.11 6.66 0.01 -1.26 -5.14 113.70 114.56 2dl3 s SER 66 Ca 0.66 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 2dl3 s SER 66 Cb -0.27 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 2dl3 s SER 66 CO 0.33 0.22 -0.07 -0.55 0.41 0.00 0.00 173.24 173.57 2dl3 s SER 67 N -0.36 4.54 0.00 2.44 0.15 -1.26 -5.28 113.70 113.94 2dl3 s SER 67 Ca 0.05 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2dl3 s SER 67 Cb -0.08 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2dl3 s SER 67 CO -0.00 0.26 0.50 0.61 1.20 0.00 0.00 173.24 175.80