#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 0.28 -0.20 1.61 1.04 -1.26 -5.05 113.70 110.12 2dl3 s SER 2 Ca 0.00 -0.26 0.12 0.00 0.48 0.00 0.00 55.95 56.29 2dl3 s SER 2 Cb 0.00 0.03 -0.21 0.00 0.10 0.00 0.00 66.02 65.94 2dl3 s SER 2 CO 0.00 -0.13 -0.01 -1.54 0.98 0.00 0.00 173.24 172.54 2dl3 n SER 3 N 2.32 0.89 0.00 7.02 3.41 -1.26 -5.07 113.62 120.93 2dl3 n SER 3 Ca -0.18 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2dl3 n SER 3 Cb 0.57 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 2dl3 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl3 n GLY 4 N 1.99 1.36 3.77 5.00 0.00 -1.26 -4.90 105.19 111.15 2dl3 n GLY 4 Ca -0.34 -0.63 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 2dl3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl3 s SER 5 N -4.00 4.44 0.08 1.61 0.01 -1.26 -5.16 113.70 109.42 2dl3 s SER 5 Ca 0.00 -1.15 -0.20 0.00 1.31 0.00 0.00 55.95 55.91 2dl3 s SER 5 Cb 0.00 -0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.01 2dl3 s SER 5 CO 0.00 -0.65 0.47 -0.44 0.41 0.00 0.00 173.24 173.03 2dl3 s SER 6 N -3.96 -0.36 0.65 2.44 0.01 -1.26 -5.18 113.70 106.03 2dl3 s SER 6 Ca 0.37 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 2dl3 s SER 6 Cb 0.03 0.48 0.10 0.00 0.21 0.00 0.00 66.02 66.84 2dl3 s SER 6 CO 0.21 -0.77 0.67 0.61 0.41 0.00 0.00 173.24 174.37 2dl3 n GLY 7 N 0.17 0.52 3.71 3.44 0.00 -1.26 -4.81 105.19 106.96 2dl3 n GLY 7 Ca -0.18 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.53 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 -4.23 2.88 0.01 1.61 0.52 0.97 -4.68 118.95 116.04 2dl3 s ARG 8 Ca 0.44 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 2dl3 s ARG 8 Cb -0.02 -2.74 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 2dl3 s ARG 8 CO 0.29 0.64 1.44 -1.25 0.02 0.00 0.00 175.30 176.45 2dl3 s PRO 9 N -1.48 4.27 0.00 3.54 0.04 -1.26 -1.17 135.00 138.94 2dl3 s PRO 9 Ca 0.19 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2dl3 s PRO 9 Cb -0.12 -3.58 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 2dl3 s PRO 9 CO 0.10 -0.60 -0.01 0.00 0.04 0.00 0.00 177.00 176.52 2dl3 s ALA 10 N 2.45 0.08 -0.07 8.56 0.00 -0.08 -0.28 121.76 132.42 2dl3 s ALA 10 Ca 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 2dl3 s ALA 10 Cb -0.33 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2dl3 s ALA 10 CO 0.27 0.01 -0.01 0.50 0.00 0.00 0.00 175.76 176.54 2dl3 s ARG 11 N -0.07 2.92 -0.35 0.00 3.52 -0.19 -0.73 118.95 124.04 2dl3 s ARG 11 Ca -0.00 -0.46 -0.28 0.00 -0.13 0.00 0.00 55.73 54.86 2dl3 s ARG 11 Cb -0.01 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2dl3 s ARG 11 CO -0.00 0.69 1.04 0.00 -0.81 0.00 0.00 175.30 176.22 2dl3 s ALA 12 N -0.90 3.43 0.10 6.12 0.00 -0.69 0.11 121.76 129.93 2dl3 s ALA 12 Ca 0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.79 2dl3 s ALA 12 Cb -0.11 -3.66 -0.17 0.00 0.00 0.00 0.00 23.12 19.17 2dl3 s ALA 12 CO 0.03 -1.62 1.24 0.87 0.00 0.00 0.00 175.76 176.28 2dl3 h LYS 13 N 8.35 0.51 -4.94 0.00 1.57 -0.71 0.21 116.57 121.56 2dl3 h LYS 13 Ca -0.22 -0.58 -0.32 0.00 -1.87 0.00 0.00 60.65 57.66 2dl3 h LYS 13 Cb 1.07 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 2dl3 h LYS 13 CO 1.03 1.21 -0.67 -0.06 -0.57 0.00 0.00 179.45 180.39 2dl3 s PHE 14 N -3.20 1.32 0.06 -1.35 0.40 -1.13 -4.76 117.98 109.32 2dl3 s PHE 14 Ca -0.07 -0.93 -0.31 0.00 -0.60 0.00 0.00 56.93 55.02 2dl3 s PHE 14 Cb 0.08 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.81 2dl3 s PHE 14 CO 0.89 -0.10 1.20 0.34 0.70 0.00 0.00 175.22 178.25 2dl3 s ASP 15 N -3.21 7.08 -0.17 1.36 2.15 -1.26 -4.26 116.67 118.37 2dl3 s ASP 15 Ca 0.23 2.02 0.01 0.00 0.43 0.00 0.00 52.55 55.24 2dl3 s ASP 15 Cb 0.05 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2dl3 s ASP 15 CO 0.04 -0.46 -0.18 0.12 -0.17 0.00 0.00 175.17 174.52 2dl3 s PHE 16 N 1.02 2.58 -0.32 -5.34 2.19 0.97 -4.96 117.98 114.13 2dl3 s PHE 16 Ca 0.58 -1.51 -0.15 0.00 0.33 0.00 0.00 56.93 56.19 2dl3 s PHE 16 Cb -0.29 -1.81 -0.02 0.00 -1.31 0.00 0.00 43.02 39.58 2dl3 s PHE 16 CO 0.29 -0.76 0.35 0.21 1.83 0.00 0.00 175.22 177.15 2dl3 s LYS 17 N 1.35 3.70 -0.45 10.12 2.20 -1.26 -1.08 119.74 134.32 2dl3 s LYS 17 Ca 0.05 -0.29 -0.28 0.00 -0.36 0.00 0.00 55.97 55.08 2dl3 s LYS 17 Cb -0.13 -3.76 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2dl3 s LYS 17 CO -0.12 -0.44 1.09 0.00 -0.36 0.00 0.00 175.35 175.51 2dl3 s ALA 18 N 2.02 3.21 0.15 3.13 0.00 -1.26 -4.91 121.76 124.10 2dl3 s ALA 18 Ca 0.12 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 2dl3 s ALA 18 Cb -0.16 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.17 2dl3 s ALA 18 CO 0.11 -2.12 1.74 -0.56 0.00 0.00 0.00 175.76 174.94 2dl3 h GLN 19 N 9.05 0.65 -4.86 0.00 3.07 -1.96 -3.46 115.11 117.60 2dl3 h GLN 19 Ca -0.23 -0.09 -0.42 0.00 0.09 0.00 0.00 58.65 58.00 2dl3 h GLN 19 Cb 1.06 -0.12 -0.14 0.00 0.08 0.00 0.00 27.48 28.37 2dl3 h GLN 19 CO 1.10 0.54 -0.54 0.95 0.09 0.00 0.00 178.83 180.97 2dl3 s THR 20 N -5.77 0.17 0.18 1.86 -4.23 -1.26 -5.05 115.64 101.54 2dl3 s THR 20 Ca -0.13 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.20 2dl3 s THR 20 Cb 0.11 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.59 2dl3 s THR 20 CO 0.75 0.00 1.64 0.25 -0.54 0.00 0.00 174.62 176.72 2dl3 h LEU 21 N 2.21 -0.58 -0.71 4.79 5.85 -1.97 -1.16 115.31 123.74 2dl3 h LEU 21 Ca -0.31 0.15 0.24 0.00 0.84 0.00 0.00 57.88 58.80 2dl3 h LEU 21 Cb 1.24 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 42.48 2dl3 h LEU 21 CO 0.46 -0.20 0.15 1.17 -0.34 0.00 0.00 178.44 179.69 2dl3 n LYS 22 N -5.37 -0.05 -3.99 1.25 4.81 -1.26 -4.27 118.16 109.29 2dl3 n LYS 22 Ca 0.03 1.03 -0.22 0.00 -0.87 0.00 0.00 58.31 58.29 2dl3 n LYS 22 Cb 0.28 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.58 2dl3 n LYS 22 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2dl3 s GLU 23 N -5.41 3.37 -0.03 1.64 2.02 -0.44 -1.14 118.70 118.71 2dl3 s GLU 23 Ca -0.08 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.18 2dl3 s GLU 23 Cb 0.22 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 2dl3 s GLU 23 CO 0.56 0.43 -0.19 -1.17 0.02 0.00 0.00 175.26 174.91 2dl3 s LEU 24 N -3.90 2.00 0.64 1.80 2.96 -0.92 -4.64 118.68 116.63 2dl3 s LEU 24 Ca 0.34 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 53.73 2dl3 s LEU 24 Cb -0.09 -1.01 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 2dl3 s LEU 24 CO 0.28 0.21 1.11 -2.16 -1.32 0.00 0.00 176.35 174.48 2dl3 s PRO 25 N -0.30 2.89 -0.20 0.98 0.04 -1.26 -4.54 135.00 132.62 2dl3 s PRO 25 Ca 0.04 1.42 -0.04 0.00 0.04 0.00 0.00 61.00 62.46 2dl3 s PRO 25 Cb -0.09 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.59 2dl3 s PRO 25 CO 0.00 -1.19 0.30 -0.51 0.04 0.00 0.00 177.00 175.65 2dl3 s LEU 26 N -4.70 -0.37 0.25 -3.56 1.43 -0.24 -4.95 118.68 106.53 2dl3 s LEU 26 Ca 0.68 0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 2dl3 s LEU 26 Cb -0.21 0.78 -0.09 0.00 0.03 0.00 0.00 46.19 46.70 2dl3 s LEU 26 CO 0.39 -0.29 0.84 -1.58 0.23 0.00 0.00 176.35 175.94 2dl3 s GLN 27 N 2.44 4.51 -0.50 1.70 0.74 -1.26 -0.02 119.66 127.28 2dl3 s GLN 27 Ca 0.07 1.17 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 2dl3 s GLN 27 Cb -0.14 -2.99 -0.10 0.00 1.10 0.00 0.00 33.01 30.87 2dl3 s GLN 27 CO -0.12 0.41 2.38 1.17 -0.55 0.00 0.00 175.29 178.57 2dl3 n LYS 28 N 0.96 1.02 0.00 1.67 4.81 -1.26 -1.52 118.16 123.84 2dl3 n LYS 28 Ca -0.02 0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 2dl3 n LYS 28 Cb 0.50 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.70 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 6.20 1.26 3.55 3.14 0.00 0.73 -4.99 105.19 115.08 2dl3 n GLY 29 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 4.45 -0.30 1.61 1.11 -0.58 -4.85 116.67 116.11 2dl3 s ASP 30 Ca 0.00 -0.12 -0.16 0.00 0.18 0.00 0.00 52.55 52.45 2dl3 s ASP 30 Cb 0.00 -1.04 -0.02 0.00 1.07 0.00 0.00 42.92 42.93 2dl3 s ASP 30 CO 0.00 0.33 0.43 -0.63 1.18 0.00 0.00 175.17 176.48 2dl3 s ILE 31 N -0.85 5.12 0.20 0.77 -1.09 -1.26 -1.70 121.20 122.39 2dl3 s ILE 31 Ca 0.14 0.49 0.10 0.00 -2.23 0.00 0.00 60.65 59.15 2dl3 s ILE 31 Cb -0.11 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2dl3 s ILE 31 CO 0.03 0.02 -0.20 0.68 -1.23 0.00 0.00 174.94 174.23 2dl3 s VAL 32 N 2.19 2.13 -0.25 2.92 -7.23 0.09 -4.95 120.40 115.30 2dl3 s VAL 32 Ca 0.17 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2dl3 s VAL 32 Cb -0.16 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.76 2dl3 s VAL 32 CO 0.11 -0.28 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.28 2dl3 s TYR 33 N -2.05 3.07 -0.25 2.82 2.02 -1.25 -0.91 117.35 120.80 2dl3 s TYR 33 Ca 0.21 -1.39 -0.21 0.00 -0.37 0.00 0.00 57.07 55.30 2dl3 s TYR 33 Cb -0.06 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 2dl3 s TYR 33 CO 0.09 -0.69 0.67 0.42 -1.57 0.00 0.00 175.55 174.48 2dl3 s ILE 34 N 1.37 4.96 -0.11 2.71 1.01 -0.32 -2.48 121.20 128.34 2dl3 s ILE 34 Ca 0.01 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 2dl3 s ILE 34 Cb -0.16 -3.97 -0.26 0.00 0.01 0.00 0.00 42.46 38.07 2dl3 s ILE 34 CO -0.03 0.01 0.44 1.88 0.00 0.00 0.00 174.94 177.24 2dl3 h TYR 35 N 7.84 0.46 -4.07 3.97 0.05 -0.83 0.28 116.97 124.67 2dl3 h TYR 35 Ca -0.26 -0.34 -0.30 0.00 0.05 0.00 0.00 58.73 57.88 2dl3 h TYR 35 Cb 1.12 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.69 2dl3 h TYR 35 CO 0.75 1.69 -0.62 -1.59 -1.05 0.00 0.00 178.16 177.34 2dl3 s LYS 36 N -2.52 1.30 -0.36 4.88 -2.85 -1.14 -4.87 119.74 114.17 2dl3 s LYS 36 Ca -0.21 -1.69 -0.01 0.00 -1.00 0.00 0.00 55.97 53.06 2dl3 s LYS 36 Cb 0.06 -0.07 0.09 0.00 -2.06 0.00 0.00 37.83 35.85 2dl3 s LYS 36 CO 0.76 -0.31 0.10 -1.14 0.10 0.00 0.00 175.35 174.86 2dl3 s GLN 37 N -4.07 2.04 0.03 1.78 0.74 -1.26 -1.70 119.66 117.22 2dl3 s GLN 37 Ca 0.37 -1.65 -0.11 0.00 0.05 0.00 0.00 55.36 54.02 2dl3 s GLN 37 Cb 0.07 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 2dl3 s GLN 37 CO 0.12 -0.89 1.17 0.82 -0.55 0.00 0.00 175.29 175.95 2dl3 h ILE 38 N 6.45 0.00 -4.72 -2.34 1.08 -1.81 -3.47 117.51 112.70 2dl3 h ILE 38 Ca -0.14 0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 63.84 2dl3 h ILE 38 Cb 1.05 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.68 2dl3 h ILE 38 CO 0.61 0.00 -0.43 0.47 -0.69 0.00 0.00 178.15 178.10 2dl3 n ASP 39 N -3.27 0.49 0.21 1.72 9.92 -1.19 -4.96 116.55 119.46 2dl3 n ASP 39 Ca -0.03 -3.03 0.15 0.00 -0.53 0.00 0.00 54.79 51.35 2dl3 n ASP 39 Cb 0.13 1.19 0.69 0.00 -0.64 0.00 0.00 41.12 42.49 2dl3 n ASP 39 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2dl3 h GLN 40 N 0.00 0.00 0.00 -1.24 4.15 -2.03 -2.36 115.11 113.62 2dl3 h GLN 40 Ca -0.27 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.15 2dl3 h GLN 40 Cb 1.12 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 2dl3 h GLN 40 CO 0.41 0.00 -0.25 0.09 -1.93 0.00 0.00 178.83 177.15 2dl3 n ASN 41 N -2.56 1.44 -4.03 -0.69 4.13 -1.26 -4.93 115.26 107.36 2dl3 n ASN 41 Ca -0.00 -2.72 -0.08 0.00 1.68 0.00 0.00 54.58 53.45 2dl3 n ASN 41 Cb 0.16 -0.35 -0.09 0.00 -1.54 0.00 0.00 39.78 37.96 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 -1.79 0.49 0.25 3.10 0.52 -0.89 -2.29 118.94 118.33 2dl3 s TRP 42 Ca 0.21 -0.96 -0.06 0.00 0.02 0.00 0.00 56.10 55.31 2dl3 s TRP 42 Cb 0.19 -0.30 -0.02 0.00 -1.15 0.00 0.00 33.47 32.20 2dl3 s TRP 42 CO 0.00 -0.48 0.36 0.71 0.02 0.00 0.00 176.95 177.57 2dl3 s TYR 43 N -3.94 0.80 -0.04 -1.98 2.02 0.24 -3.19 117.35 111.26 2dl3 s TYR 43 Ca 0.11 -1.08 -0.01 0.00 -0.37 0.00 0.00 57.07 55.72 2dl3 s TYR 43 Cb 0.07 -0.13 0.03 0.00 -0.40 0.00 0.00 41.96 41.53 2dl3 s TYR 43 CO -0.07 -0.90 0.06 -2.00 -1.57 0.00 0.00 175.55 171.07 2dl3 s GLU 44 N -3.86 -0.02 0.00 -0.62 2.56 -0.69 -1.20 118.70 114.87 2dl3 s GLU 44 Ca 0.30 0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.56 2dl3 s GLU 44 Cb 0.02 -0.30 0.00 0.00 2.00 0.00 0.00 34.13 35.85 2dl3 s GLU 44 CO 0.13 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.02 2dl3 n GLY 45 N 4.54 3.66 2.98 -1.50 0.00 -1.14 -0.12 105.19 113.61 2dl3 n GLY 45 Ca -0.20 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 1.26 0.58 -0.09 1.61 2.12 -1.04 -2.77 118.70 120.37 2dl3 s GLU 46 Ca 0.00 -0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 2dl3 s GLU 46 Cb 0.00 -0.56 0.04 0.00 0.26 0.00 0.00 34.13 33.87 2dl3 s GLU 46 CO 0.00 0.14 0.08 -1.58 -0.54 0.00 0.00 175.26 173.35 2dl3 s HIS 47 N -0.10 0.09 -1.27 5.30 2.46 0.63 -3.80 115.29 118.61 2dl3 s HIS 47 Ca 0.02 0.06 -0.07 0.00 0.47 0.00 0.00 55.06 55.53 2dl3 s HIS 47 Cb -0.03 -0.55 -0.01 0.00 -0.13 0.00 0.00 32.58 31.86 2dl3 s HIS 47 CO -0.00 -0.32 0.65 1.58 -2.47 0.00 0.00 174.74 174.18 2dl3 n HIS 48 N 5.29 -1.85 -3.11 3.88 -0.00 -1.26 -1.39 115.22 116.79 2dl3 n HIS 48 Ca -0.05 0.68 -0.21 0.00 -0.00 0.00 0.00 57.72 58.14 2dl3 n HIS 48 Cb 0.50 -3.85 0.04 0.00 -0.00 0.00 0.00 29.99 26.68 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 -1.73 -0.43 2.69 1.57 0.00 -1.26 -4.99 105.19 101.04 2dl3 n GLY 49 Ca -0.22 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.78 0.25 -0.21 1.61 3.52 -0.48 -5.13 118.95 112.74 2dl3 s ARG 50 Ca 0.35 0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 55.89 2dl3 s ARG 50 Cb -0.16 -1.22 -0.05 0.00 -1.56 0.00 0.00 34.95 31.97 2dl3 s ARG 50 CO 0.44 -0.46 0.26 0.08 -0.81 0.00 0.00 175.30 174.81 2dl3 s VAL 51 N 2.06 5.30 0.15 7.11 1.01 -1.26 -0.27 120.40 134.50 2dl3 s VAL 51 Ca 0.03 0.43 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 2dl3 s VAL 51 Cb -0.14 -3.60 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2dl3 s VAL 51 CO -0.06 0.33 0.91 -0.83 0.00 0.00 0.00 175.10 175.46 2dl3 s GLY 52 N 0.87 -0.25 0.11 4.51 0.00 -1.11 -4.87 107.32 106.58 2dl3 s GLY 52 Ca 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 2dl3 s GLY 52 CO 0.05 0.03 0.28 -0.26 0.00 0.00 0.00 173.10 173.20 2dl3 s ILE 53 N -3.35 5.30 0.05 0.90 -4.36 -0.29 -2.88 121.20 116.57 2dl3 s ILE 53 Ca 0.11 -0.32 -0.20 0.00 -0.26 0.00 0.00 60.65 59.98 2dl3 s ILE 53 Cb -0.02 -3.66 0.04 0.00 1.25 0.00 0.00 42.46 40.08 2dl3 s ILE 53 CO 0.01 0.05 0.46 0.72 0.24 0.00 0.00 174.94 176.42 2dl3 s PHE 54 N -1.62 -0.34 0.50 1.37 -0.12 -0.34 -2.16 117.98 115.27 2dl3 s PHE 54 Ca 0.37 0.34 -0.21 0.00 -0.05 0.00 0.00 56.93 57.38 2dl3 s PHE 54 Cb -0.12 0.28 -0.07 0.00 -0.63 0.00 0.00 43.02 42.48 2dl3 s PHE 54 CO 0.27 -0.61 1.15 -1.25 -0.05 0.00 0.00 175.22 174.73 2dl3 s PRO 55 N -2.49 3.54 0.12 1.99 0.04 -1.26 0.79 135.00 137.73 2dl3 s PRO 55 Ca -0.05 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 2dl3 s PRO 55 Cb -0.01 -2.19 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 2dl3 s PRO 55 CO -0.02 -0.71 1.29 -0.09 0.04 0.00 0.00 177.00 177.51 2dl3 h ARG 56 N 1.60 0.42 0.00 4.56 2.43 -1.74 -3.09 114.38 118.56 2dl3 h ARG 56 Ca -0.50 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.21 2dl3 h ARG 56 Cb 1.26 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 2dl3 h ARG 56 CO 0.58 1.12 0.03 0.25 -1.51 0.00 0.00 179.97 180.45 2dl3 n THR 57 N -3.75 1.65 -0.06 0.20 -2.24 -1.26 -0.69 114.28 108.13 2dl3 n THR 57 Ca -0.07 0.56 -0.09 0.00 -2.27 0.00 0.00 64.05 62.18 2dl3 n THR 57 Cb 0.84 -1.56 -0.15 0.00 -2.10 0.00 0.00 70.33 67.36 2dl3 n THR 57 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dl3 n TYR 58 N -1.66 0.44 -3.89 4.78 4.02 -1.17 -4.89 117.16 114.80 2dl3 n TYR 58 Ca -0.00 0.16 -0.24 0.00 -0.01 0.00 0.00 57.90 57.81 2dl3 n TYR 58 Cb 0.04 -1.08 -0.04 0.00 -0.02 0.00 0.00 39.34 38.24 2dl3 n TYR 58 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2dl3 s ILE 59 N -2.54 2.24 -0.11 -0.72 -5.25 0.14 0.02 121.20 114.98 2dl3 s ILE 59 Ca -0.08 -1.53 -0.01 0.00 -0.99 0.00 0.00 60.65 58.04 2dl3 s ILE 59 Cb 0.07 -2.77 0.03 0.00 2.95 0.00 0.00 42.46 42.74 2dl3 s ILE 59 CO 0.83 0.00 -0.01 -0.70 -1.79 0.00 0.00 174.94 173.27 2dl3 s GLU 60 N -4.08 0.80 -0.24 0.37 2.56 0.30 -4.77 118.70 113.64 2dl3 s GLU 60 Ca 0.41 -0.09 -0.28 0.00 0.00 0.00 0.00 54.97 55.01 2dl3 s GLU 60 Cb -0.00 -1.35 -0.04 0.00 2.00 0.00 0.00 34.13 34.73 2dl3 s GLU 60 CO 0.24 -0.37 2.13 -0.51 -0.56 0.00 0.00 175.26 176.18 2dl3 s LEU 61 N 1.89 3.46 -0.65 2.70 1.43 -1.26 -1.02 118.68 125.23 2dl3 s LEU 61 Ca 0.04 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 54.64 2dl3 s LEU 61 Cb -0.13 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.61 2dl3 s LEU 61 CO -0.06 -1.90 1.17 -0.76 0.23 0.00 0.00 176.35 175.02 2dl3 s LEU 62 N 7.98 3.52 0.00 1.79 1.43 0.61 -4.97 118.68 129.05 2dl3 s LEU 62 Ca 0.96 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 2dl3 s LEU 62 Cb -0.31 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 2dl3 s LEU 62 CO 0.35 -1.58 1.54 -0.44 0.23 0.00 0.00 176.35 176.45 2dl3 s SER 63 N 3.32 6.73 0.00 2.29 0.01 -1.26 -4.57 113.70 120.22 2dl3 s SER 63 Ca 0.36 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.87 2dl3 s SER 63 Cb -0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2dl3 s SER 63 CO 0.19 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2dl3 n GLY 64 N 3.88 0.44 3.69 3.44 0.00 -1.26 -5.13 105.19 110.25 2dl3 n GLY 64 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.74 -0.03 1.61 0.04 -1.26 -5.08 135.00 131.02 2dl3 s PRO 65 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2dl3 s PRO 65 Cb 0.00 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.80 2dl3 s PRO 65 CO 0.00 -2.55 0.00 -1.54 0.04 0.00 0.00 177.00 172.95 2dl3 s SER 66 N -3.44 0.37 0.18 6.66 1.04 -1.26 -5.12 113.70 112.13 2dl3 s SER 66 Ca 0.65 -0.02 -0.33 0.00 0.48 0.00 0.00 55.95 56.73 2dl3 s SER 66 Cb -0.18 -0.20 -0.15 0.00 0.10 0.00 0.00 66.02 65.58 2dl3 s SER 66 CO 0.57 -0.10 1.25 -1.20 0.98 0.00 0.00 173.24 174.74 2dl3 n SER 67 N 4.12 1.74 0.00 7.02 7.64 -1.26 -5.35 113.62 127.53 2dl3 n SER 67 Ca -0.27 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.75 2dl3 n SER 67 Cb 0.50 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2dl3 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64