#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd5 s VAL 9 N 0.00 3.53 -0.24 -1.45 -7.23 -1.26 -5.08 120.40 108.67 2dd5 s VAL 9 Ca 0.00 -0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 59.59 2dd5 s VAL 9 Cb 0.00 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 2dd5 s VAL 9 CO 0.00 0.45 0.22 0.26 -0.31 0.00 0.00 175.10 175.72 2dd5 s TRP 10 N 1.00 3.30 -0.35 2.82 0.52 -1.26 -5.03 118.94 119.94 2dd5 s TRP 10 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 56.10 56.13 2dd5 s TRP 10 Cb -0.15 -2.36 -0.01 0.00 -1.15 0.00 0.00 33.47 29.81 2dd5 s TRP 10 CO 0.00 -0.01 1.65 0.34 0.02 0.00 0.00 176.95 178.96 2dd5 s ASP 11 N 1.22 6.08 0.00 2.95 -1.08 -1.26 -4.87 116.67 119.71 2dd5 s ASP 11 Ca 0.10 1.16 0.20 0.00 -0.52 0.00 0.00 52.55 53.49 2dd5 s ASP 11 Cb -0.14 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 2dd5 s ASP 11 CO 0.07 -1.58 1.45 0.54 0.52 0.00 0.00 175.17 176.17 2dd5 n ARG 12 N 8.26 2.37 -0.00 4.34 1.74 -1.26 -4.18 116.66 127.93 2dd5 n ARG 12 Ca 0.20 -2.11 0.03 0.00 -0.77 0.00 0.00 57.85 55.20 2dd5 n ARG 12 Cb 0.47 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.39 2dd5 n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dd5 n THR 13 N 1.25 0.00 -0.05 0.55 -2.24 -1.26 -4.79 114.28 107.74 2dd5 n THR 13 Ca 0.20 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 2dd5 n THR 13 Cb 0.52 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 2dd5 n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dd5 h HIS 14 N 0.00 -1.05 -0.72 4.78 6.17 -1.99 -0.68 115.15 121.65 2dd5 h HIS 14 Ca 0.00 0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.15 2dd5 h HIS 14 Cb 0.20 0.50 -0.04 0.00 2.52 0.00 0.00 27.41 30.58 2dd5 h HIS 14 CO 0.00 -0.43 0.46 1.25 0.71 0.00 0.00 177.93 179.93 2dd5 h HIS 15 N -0.38 0.87 -0.53 5.26 6.17 -1.87 -1.62 115.15 123.06 2dd5 h HIS 15 Ca 0.11 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.13 2dd5 h HIS 15 Cb 0.58 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 30.20 2dd5 h HIS 15 CO -0.50 0.52 -0.00 0.00 0.71 0.00 0.00 177.93 178.66 2dd5 h ALA 16 N 1.29 1.00 0.00 5.26 0.00 -1.79 -0.59 119.26 124.43 2dd5 h ALA 16 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2dd5 h ALA 16 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2dd5 h ALA 16 CO -0.09 0.61 -0.29 0.87 0.00 0.00 0.00 179.25 180.35 2dd5 h LYS 17 N 0.83 0.00 0.07 0.00 1.57 -0.65 -0.64 116.57 117.76 2dd5 h LYS 17 Ca 0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 2dd5 h LYS 17 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2dd5 h LYS 17 CO 0.02 0.29 -1.61 1.98 -0.57 0.00 0.00 179.45 179.57 2dd5 h MET 18 N 0.00 0.15 -0.00 3.15 4.05 -0.84 -3.41 114.93 118.03 2dd5 h MET 18 Ca -0.00 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2dd5 h MET 18 Cb 0.60 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2dd5 h MET 18 CO 0.04 0.93 -0.37 0.00 0.23 0.00 0.00 176.91 177.74 2dd5 n ALA 19 N -2.65 3.11 -1.68 0.39 0.00 -0.27 -4.80 120.51 114.60 2dd5 n ALA 19 Ca -0.17 -0.32 -0.45 0.00 0.00 0.00 0.00 53.44 52.50 2dd5 n ALA 19 Cb 1.04 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 2dd5 n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dd5 n THR 20 N -0.92 0.21 -0.57 0.00 -1.04 -0.25 -0.35 114.28 111.35 2dd5 n THR 20 Ca 0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2dd5 n THR 20 Cb 0.17 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 2dd5 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dd5 n GLY 21 N 3.89 1.42 0.78 3.41 0.00 -1.26 -4.76 105.19 108.67 2dd5 n GLY 21 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2dd5 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dd5 n ILE 22 N -2.00 0.33 0.00 -0.61 5.41 0.35 -5.16 119.36 117.69 2dd5 n ILE 22 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2dd5 n ILE 22 Cb 0.00 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2dd5 n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dd5 n GLY 23 N 2.64 1.39 3.03 7.39 0.00 0.52 -4.64 105.19 115.53 2dd5 n GLY 23 Ca -0.12 -2.03 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 2dd5 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dd5 s ASP 24 N 0.00 1.83 -0.00 1.61 -1.08 -1.26 -0.73 116.67 117.03 2dd5 s ASP 24 Ca 0.00 -0.31 0.03 0.00 -0.52 0.00 0.00 52.55 51.75 2dd5 s ASP 24 Cb 0.00 -0.83 0.10 0.00 -1.46 0.00 0.00 42.92 40.72 2dd5 s ASP 24 CO 0.00 0.04 1.08 -0.81 0.52 0.00 0.00 175.17 176.00 2dd5 n PRO 25 N 3.77 1.26 -0.32 4.34 -0.04 -1.26 -4.95 135.00 137.79 2dd5 n PRO 25 Ca -0.23 -0.39 0.15 0.00 -0.04 0.00 0.00 63.50 62.99 2dd5 n PRO 25 Cb 0.52 -1.09 0.38 0.00 -0.04 0.00 0.00 33.50 33.26 2dd5 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dd5 h GLN 26 N 0.64 0.65 0.00 0.54 7.50 -1.81 -1.63 115.11 121.00 2dd5 h GLN 26 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2dd5 h GLN 26 Cb 0.15 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.54 2dd5 h GLN 26 CO 0.00 0.43 0.00 0.00 -1.50 0.00 0.00 178.83 177.76 2dd5 n PHE 28 N -2.23 0.00 -1.59 0.00 3.72 -0.61 -5.00 117.46 111.74 2dd5 n PHE 28 Ca -0.01 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.93 2dd5 n PHE 28 Cb 0.07 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 2dd5 n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dd5 n LYS 29 N 1.09 1.34 -0.12 -1.08 4.81 -0.86 -1.61 118.16 121.73 2dd5 n LYS 29 Ca 0.13 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 2dd5 n LYS 29 Cb 0.58 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2dd5 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dd5 n GLY 30 N 1.61 2.72 0.06 3.14 0.00 -1.26 -4.88 105.19 106.59 2dd5 n GLY 30 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2dd5 n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dd5 n MET 31 N -2.00 0.18 0.02 1.61 2.81 -0.64 -3.59 117.12 115.51 2dd5 n MET 31 Ca 0.00 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 56.13 2dd5 n MET 31 Cb 0.00 -1.68 0.20 0.00 -0.71 0.00 0.00 33.22 31.03 2dd5 n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dd5 n ALA 32 N -1.70 3.39 -0.26 3.04 0.00 -1.26 -4.54 120.51 119.18 2dd5 n ALA 32 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2dd5 n ALA 32 Cb 0.40 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2dd5 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dd5 n GLY 33 N 1.44 -0.02 3.71 0.00 0.00 -1.24 -4.77 105.19 104.31 2dd5 n GLY 33 Ca 0.04 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2dd5 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dd5 s LYS 34 N 0.00 4.45 0.35 1.61 2.36 -1.26 -4.99 119.74 122.27 2dd5 s LYS 34 Ca 0.00 1.63 -0.28 0.00 -2.55 0.00 0.00 55.97 54.76 2dd5 s LYS 34 Cb 0.00 -3.43 -0.10 0.00 -1.05 0.00 0.00 37.83 33.25 2dd5 s LYS 34 CO 0.00 -0.24 1.33 -1.54 1.55 0.00 0.00 175.35 176.45 2dd5 s SER 35 N 1.13 6.62 0.36 1.43 1.04 -1.26 -4.93 113.70 118.10 2dd5 s SER 35 Ca 0.56 2.73 0.19 0.00 0.48 0.00 0.00 55.95 59.90 2dd5 s SER 35 Cb -0.25 -2.65 0.29 0.00 0.10 0.00 0.00 66.02 63.51 2dd5 s SER 35 CO 0.27 -0.64 1.56 0.50 0.98 0.00 0.00 173.24 175.90 2dd5 h LYS 36 N 3.18 0.00 -5.18 4.02 3.64 -1.96 -3.46 116.57 116.80 2dd5 h LYS 36 Ca -0.49 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.50 2dd5 h LYS 36 Cb 1.23 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.91 2dd5 h LYS 36 CO 0.65 0.29 -0.68 -0.06 -2.27 0.00 0.00 179.45 177.37 2dd5 s PHE 37 N -3.14 1.55 0.21 1.91 0.08 -1.26 -5.12 117.98 112.20 2dd5 s PHE 37 Ca 0.05 -0.82 0.05 0.00 0.12 0.00 0.00 56.93 56.32 2dd5 s PHE 37 Cb 0.07 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 41.62 2dd5 s PHE 37 CO 0.70 0.07 -0.05 -0.80 -0.10 0.00 0.00 175.22 175.04 2dd5 s ASN 38 N -3.29 2.00 0.22 1.36 -0.87 -1.26 -5.06 114.94 108.04 2dd5 s ASN 38 Ca 0.25 -1.14 -0.32 0.00 -1.57 0.00 0.00 52.86 50.09 2dd5 s ASN 38 Cb 0.04 -0.03 -0.14 0.00 -0.02 0.00 0.00 41.25 41.10 2dd5 s ASN 38 CO 0.07 -0.41 1.42 0.52 -2.57 0.00 0.00 177.10 176.13 2dd5 n VAL 39 N -0.37 0.80 0.00 1.60 0.31 -1.26 -1.66 118.33 117.75 2dd5 n VAL 39 Ca -0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2dd5 n VAL 39 Cb 0.63 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2dd5 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dd5 n GLY 40 N 2.33 3.24 3.76 2.92 0.00 0.13 -5.00 105.19 112.56 2dd5 n GLY 40 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 2dd5 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dd5 s ASP 41 N -0.50 5.57 -0.22 1.61 1.01 -0.67 -4.69 116.67 118.77 2dd5 s ASP 41 Ca 0.00 2.45 -0.12 0.00 0.71 0.00 0.00 52.55 55.59 2dd5 s ASP 41 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2dd5 s ASP 41 CO 0.00 -1.34 0.21 -0.13 0.21 0.00 0.00 175.17 174.12 2dd5 s ARG 42 N -3.00 4.12 0.05 8.23 1.81 -1.26 -1.44 118.95 127.45 2dd5 s ARG 42 Ca 0.71 -0.15 0.04 0.00 -1.72 0.00 0.00 55.73 54.61 2dd5 s ARG 42 Cb -0.32 -3.52 -0.02 0.00 -0.45 0.00 0.00 34.95 30.64 2dd5 s ARG 42 CO 0.37 0.08 -0.12 0.14 -0.68 0.00 0.00 175.30 175.10 2dd5 s VAL 43 N 0.98 0.90 -0.04 3.52 -7.23 -0.63 -0.80 120.40 117.11 2dd5 s VAL 43 Ca 0.10 -1.09 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 2dd5 s VAL 43 Cb -0.13 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 2dd5 s VAL 43 CO 0.04 -0.19 0.03 -0.60 -0.31 0.00 0.00 175.10 174.08 2dd5 s ARG 44 N -1.43 2.98 -0.23 4.82 3.52 -0.31 -0.99 118.95 127.30 2dd5 s ARG 44 Ca -0.03 -0.47 -0.22 0.00 -0.13 0.00 0.00 55.73 54.88 2dd5 s ARG 44 Cb -0.09 -2.80 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 2dd5 s ARG 44 CO 0.01 0.67 0.70 0.42 -0.81 0.00 0.00 175.30 176.29 2dd5 s ILE 45 N -1.04 4.94 0.36 4.11 -1.09 -0.47 -2.46 121.20 125.55 2dd5 s ILE 45 Ca 0.18 1.31 -0.27 0.00 -2.23 0.00 0.00 60.65 59.64 2dd5 s ILE 45 Cb -0.12 -4.00 -0.09 0.00 -1.58 0.00 0.00 42.46 36.67 2dd5 s ILE 45 CO 0.08 0.02 1.15 -0.54 -1.23 0.00 0.00 174.94 174.42 2dd5 s LYS 46 N 2.43 4.28 -1.29 2.79 1.02 0.84 -0.55 119.74 129.26 2dd5 s LYS 46 Ca 0.30 1.84 -0.07 0.00 0.02 0.00 0.00 55.97 58.06 2dd5 s LYS 46 Cb -0.16 -2.86 0.15 0.00 -0.52 0.00 0.00 37.83 34.44 2dd5 s LYS 46 CO 0.09 -0.12 2.09 -3.47 -0.92 0.00 0.00 175.35 173.02 2dd5 n ASP 47 N 0.48 6.48 -4.76 2.83 2.03 -1.26 -4.75 116.55 117.61 2dd5 n ASP 47 Ca 0.02 -3.14 -0.33 0.00 0.52 0.00 0.00 54.79 51.86 2dd5 n ASP 47 Cb 0.46 -1.42 0.06 0.00 -0.72 0.00 0.00 41.12 39.50 2dd5 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dd5 s LEU 48 N -1.17 3.37 0.30 -2.67 1.43 -1.26 -4.94 118.68 113.74 2dd5 s LEU 48 Ca 0.46 2.09 -0.30 0.00 -1.03 0.00 0.00 54.13 55.36 2dd5 s LEU 48 Cb 0.13 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.67 2dd5 s LEU 48 CO -0.04 -1.81 1.41 -2.65 0.23 0.00 0.00 176.35 173.50 2dd5 n PRO 49 N -2.50 2.25 0.00 1.29 -0.02 -1.26 -4.92 135.00 129.84 2dd5 n PRO 49 Ca 0.11 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.50 2dd5 n PRO 49 Cb 0.52 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 2dd5 n PRO 49 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dd5 n ASP 50 N 1.56 2.40 -4.25 2.55 10.43 -1.26 -4.98 116.55 123.00 2dd5 n ASP 50 Ca 0.08 -1.70 -0.59 0.00 2.57 0.00 0.00 54.79 55.15 2dd5 n ASP 50 Cb 0.35 0.25 -0.08 0.00 1.84 0.00 0.00 41.12 43.47 2dd5 n ASP 50 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 2dd5 n LEU 51 N 0.59 0.61 0.00 0.64 7.94 -1.26 -1.83 117.00 123.69 2dd5 n LEU 51 Ca 0.11 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 56.09 2dd5 n LEU 51 Cb 0.50 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2dd5 n LEU 51 CO 0.21 -1.21 0.00 0.49 -1.11 0.00 0.00 177.39 175.77 2dd5 n PHE 52 N 2.64 0.00 -3.60 1.96 0.99 -1.26 -4.84 117.46 113.35 2dd5 n PHE 52 Ca 0.24 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.60 2dd5 n PHE 52 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.43 2dd5 n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2dd5 s TYR 53 N 0.00 -0.33 -0.22 1.38 5.04 -0.76 -5.16 117.35 117.30 2dd5 s TYR 53 Ca 0.00 0.61 -0.29 0.00 -2.44 0.00 0.00 57.07 54.95 2dd5 s TYR 53 Cb 0.00 0.44 0.15 0.00 0.35 0.00 0.00 41.96 42.91 2dd5 s TYR 53 CO 0.00 -0.27 1.15 -0.08 -1.34 0.00 0.00 175.55 175.01 2dd5 s THR 54 N -0.83 0.00 -0.12 4.34 -1.32 -1.26 -4.79 115.64 111.65 2dd5 s THR 54 Ca 0.01 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.63 2dd5 s THR 54 Cb -0.01 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.21 2dd5 s THR 54 CO -0.02 0.00 1.13 0.54 -2.21 0.00 0.00 174.62 174.07 2dd5 n ARG 55 N 0.91 1.89 -3.53 7.08 1.74 -1.26 -4.89 116.66 118.60 2dd5 n ARG 55 Ca -0.07 -2.30 -0.41 0.00 -0.77 0.00 0.00 57.85 54.29 2dd5 n ARG 55 Cb 0.58 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.55 2dd5 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dd5 s THR 56 N -2.33 4.32 0.28 0.55 2.01 -1.26 -5.02 115.64 114.19 2dd5 s THR 56 Ca 0.24 -1.80 -0.28 0.00 0.31 0.00 0.00 61.69 60.17 2dd5 s THR 56 Cb 0.21 -3.83 -0.15 0.00 0.01 0.00 0.00 72.50 68.74 2dd5 s THR 56 CO 0.03 -0.79 0.87 0.23 -0.69 0.00 0.00 174.62 174.27 2dd5 n MET 57 N 4.89 1.01 -0.27 4.92 2.81 -1.26 -4.88 117.12 124.34 2dd5 n MET 57 Ca -0.08 0.35 0.06 0.00 -1.81 0.00 0.00 57.70 56.23 2dd5 n MET 57 Cb 0.41 -1.64 0.29 0.00 -0.71 0.00 0.00 33.22 31.57 2dd5 n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dd5 h THR 58 N 1.69 1.01 0.00 2.03 2.02 -1.99 -1.94 112.91 115.72 2dd5 h THR 58 Ca -0.37 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2dd5 h THR 58 Cb 1.37 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2dd5 h THR 58 CO 0.59 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.64 2dd5 n TYR 59 N -4.50 0.19 0.44 3.16 0.18 -1.26 -1.72 117.16 113.65 2dd5 n TYR 59 Ca 0.14 0.09 0.11 0.00 1.88 0.00 0.00 57.90 60.12 2dd5 n TYR 59 Cb 0.26 -0.65 -0.14 0.00 -0.38 0.00 0.00 39.34 38.43 2dd5 n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dd5 n THR 60 N -1.69 0.02 -1.68 -3.48 -2.24 -0.73 -4.90 114.28 99.58 2dd5 n THR 60 Ca 0.00 -0.28 -0.45 0.00 -2.27 0.00 0.00 64.05 61.05 2dd5 n THR 60 Cb 0.04 0.42 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 2dd5 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dd5 n ARG 61 N -1.93 2.32 -0.29 -0.78 5.12 -0.70 -1.66 116.66 118.74 2dd5 n ARG 61 Ca -0.00 0.84 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2dd5 n ARG 61 Cb 0.46 -2.64 0.00 0.00 -1.16 0.00 0.00 32.46 29.12 2dd5 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd5 n GLY 62 N 3.67 2.39 3.88 -0.13 0.00 0.29 -4.98 105.19 110.32 2dd5 n GLY 62 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2dd5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dd5 s ALA 63 N -3.29 3.28 -0.08 4.61 0.00 -0.66 -4.71 121.76 120.91 2dd5 s ALA 63 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 51.96 51.77 2dd5 s ALA 63 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.30 2dd5 s ALA 63 CO 0.00 -0.24 -0.11 0.99 0.00 0.00 0.00 175.76 176.40 2dd5 s THR 64 N -2.63 3.28 0.22 0.00 2.01 -1.26 -1.37 115.64 115.88 2dd5 s THR 64 Ca 0.52 -0.62 0.05 0.00 0.31 0.00 0.00 61.69 61.94 2dd5 s THR 64 Cb -0.10 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2dd5 s THR 64 CO 0.38 0.57 0.19 0.61 -0.69 0.00 0.00 174.62 175.69 2dd5 n GLY 65 N 2.64 3.26 3.32 4.40 0.00 -0.16 -4.67 105.19 113.98 2dd5 n GLY 65 Ca -0.18 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2dd5 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dd5 s THR 66 N -2.87 2.65 -0.05 2.61 2.01 -0.17 -1.61 115.64 118.22 2dd5 s THR 66 Ca 0.26 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 2dd5 s THR 66 Cb 0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 2dd5 s THR 66 CO 0.18 0.54 1.30 -0.63 -0.69 0.00 0.00 174.62 175.32 2dd5 s ILE 67 N 0.26 4.03 -0.62 1.82 1.01 -0.52 -0.87 121.20 126.32 2dd5 s ILE 67 Ca -0.12 1.37 0.08 0.00 0.00 0.00 0.00 60.65 61.98 2dd5 s ILE 67 Cb -0.16 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2dd5 s ILE 67 CO 0.07 -0.02 0.48 1.33 0.00 0.00 0.00 174.94 176.80 2dd5 n VAL 68 N 4.75 0.00 -3.63 2.92 0.24 -0.07 0.19 118.33 122.74 2dd5 n VAL 68 Ca 0.12 -0.37 -0.07 0.00 -2.04 0.00 0.00 64.34 61.99 2dd5 n VAL 68 Cb 0.45 1.06 -0.06 0.00 -1.47 0.00 0.00 33.84 33.82 2dd5 n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dd5 s ARG 69 N -1.44 0.34 -0.58 7.34 3.52 -1.20 -4.89 118.95 122.04 2dd5 s ARG 69 Ca 0.05 0.25 -0.16 0.00 -0.13 0.00 0.00 55.73 55.74 2dd5 s ARG 69 Cb 0.07 0.16 0.14 0.00 -1.56 0.00 0.00 34.95 33.75 2dd5 s ARG 69 CO 0.26 -0.07 0.55 -0.51 -0.81 0.00 0.00 175.30 174.72 2dd5 s LEU 70 N -0.39 6.14 0.10 -0.88 1.02 -1.26 -0.60 118.68 122.81 2dd5 s LEU 70 Ca 0.04 -1.83 -0.15 0.00 0.02 0.00 0.00 54.13 52.20 2dd5 s LEU 70 Cb -0.03 -2.22 -0.07 0.00 0.02 0.00 0.00 46.19 43.88 2dd5 s LEU 70 CO -0.07 -0.86 1.45 -0.37 0.02 0.00 0.00 176.35 176.52 2dd5 h VAL 71 N 5.79 1.30 0.00 -1.59 -1.51 -1.81 -3.49 116.25 114.94 2dd5 h VAL 71 Ca -0.26 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2dd5 h VAL 71 Cb 1.09 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2dd5 h VAL 71 CO 1.02 0.43 0.00 0.00 -1.23 0.00 0.00 177.57 177.79 2dd5 n TYR 72 N -4.34 0.00 -4.85 5.19 0.18 -1.25 -5.04 117.16 107.05 2dd5 n TYR 72 Ca -0.03 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.43 2dd5 n TYR 72 Cb 0.41 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.24 2dd5 n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dd5 s GLU 73 N -1.89 2.36 -0.16 -3.48 2.02 -1.26 -1.27 118.70 115.02 2dd5 s GLU 73 Ca 0.00 -0.79 -0.32 0.00 0.02 0.00 0.00 54.97 53.89 2dd5 s GLU 73 Cb 0.00 -2.31 0.14 0.00 0.10 0.00 0.00 34.13 32.06 2dd5 s GLU 73 CO 0.00 0.60 1.11 0.45 0.02 0.00 0.00 175.26 177.44 2dd5 s SER 74 N -0.93 -0.23 0.64 -0.19 0.15 -0.52 -4.57 113.70 108.05 2dd5 s SER 74 Ca 0.12 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.74 2dd5 s SER 74 Cb -0.11 0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 2dd5 s SER 74 CO 0.02 -0.31 1.10 -2.16 1.20 0.00 0.00 173.24 173.09 2dd5 s PRO 75 N -1.98 2.92 0.60 5.44 0.04 -1.26 -1.36 135.00 139.41 2dd5 s PRO 75 Ca 0.05 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2dd5 s PRO 75 Cb -0.01 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2dd5 s PRO 75 CO -0.04 -1.14 1.21 0.00 0.04 0.00 0.00 177.00 177.06 2dd5 s ALA 76 N -2.38 2.52 0.40 8.56 0.00 -1.26 -4.77 121.76 124.83 2dd5 s ALA 76 Ca 0.66 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.71 2dd5 s ALA 76 Cb -0.19 -3.45 0.83 0.00 0.00 0.00 0.00 23.12 20.30 2dd5 s ALA 76 CO 0.41 -1.22 1.98 0.00 0.00 0.00 0.00 175.76 176.93 2dd5 h ALA 77 N 0.80 1.60 -0.13 0.00 0.00 -1.98 0.33 119.26 119.87 2dd5 h ALA 77 Ca -0.50 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.32 2dd5 h ALA 77 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dd5 h ALA 77 CO 0.55 0.30 0.15 0.93 0.00 0.00 0.00 179.25 181.18 2dd5 h GLU 78 N 0.35 0.00 0.00 0.00 3.07 -1.90 0.92 114.58 117.02 2dd5 h GLU 78 Ca 0.08 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.52 2dd5 h GLU 78 Cb 0.20 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.04 2dd5 h GLU 78 CO 0.00 0.00 -2.46 -0.25 -1.40 0.00 0.00 179.01 174.90 2dd5 n ASP 79 N -3.85 1.97 -0.32 1.42 8.00 -0.36 -4.48 116.55 118.93 2dd5 n ASP 79 Ca 0.00 0.12 0.03 0.00 0.71 0.00 0.00 54.79 55.66 2dd5 n ASP 79 Cb 0.26 -0.64 0.22 0.00 -0.02 0.00 0.00 41.12 40.93 2dd5 n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dd5 h GLU 80 N -0.52 1.05 0.00 -1.24 4.81 -0.78 -0.09 114.58 117.81 2dd5 h GLU 80 Ca -0.63 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.54 2dd5 h GLU 80 Cb 1.75 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.89 2dd5 h GLU 80 CO -0.25 0.69 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 2dd5 n ALA 81 N -2.39 1.26 -0.91 2.92 0.00 0.30 -1.71 120.51 119.97 2dd5 n ALA 81 Ca 0.14 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.79 2dd5 n ALA 81 Cb 0.18 -1.30 0.12 0.00 0.00 0.00 0.00 19.45 18.46 2dd5 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dd5 n PHE 82 N -2.12 0.01 -1.02 0.00 3.72 -0.57 -4.98 117.46 112.49 2dd5 n PHE 82 Ca 0.00 -0.93 -0.01 0.00 -0.05 0.00 0.00 57.45 56.47 2dd5 n PHE 82 Cb 0.10 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.50 2dd5 n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dd5 n GLY 83 N -1.29 0.49 3.26 1.37 0.00 -0.70 -5.01 105.19 103.31 2dd5 n GLY 83 Ca 0.14 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2dd5 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dd5 s ASN 84 N -2.49 5.83 -0.01 1.61 0.02 -0.15 -4.89 114.94 114.85 2dd5 s ASN 84 Ca 0.00 -1.72 0.06 0.00 -1.02 0.00 0.00 52.86 50.18 2dd5 s ASN 84 Cb 0.00 -2.06 0.17 0.00 0.02 0.00 0.00 41.25 39.38 2dd5 s ASN 84 CO 0.00 -0.68 1.14 -0.62 0.02 0.00 0.00 177.10 176.95 2dd5 n GLU 85 N 5.01 2.87 -0.06 -0.60 1.02 -1.26 -3.12 120.64 124.49 2dd5 n GLU 85 Ca -0.10 -1.85 0.03 0.00 -0.02 0.00 0.00 57.16 55.22 2dd5 n GLU 85 Cb 0.41 -1.18 0.37 0.00 -0.02 0.00 0.00 31.44 31.03 2dd5 n GLU 85 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dd5 h GLU 86 N 0.97 0.67 -5.61 3.49 3.07 -1.97 -3.42 114.58 111.77 2dd5 h GLU 86 Ca 0.00 -0.04 -0.65 0.00 -0.50 0.00 0.00 59.36 58.17 2dd5 h GLU 86 Cb 0.67 -0.15 -0.18 0.00 -0.84 0.00 0.00 28.75 28.25 2dd5 h GLU 86 CO 0.01 0.45 -0.63 -0.80 -1.40 0.00 0.00 179.01 176.64 2dd5 s ASN 87 N -6.59 5.15 -0.01 1.42 0.01 -1.26 -5.10 114.94 108.55 2dd5 s ASN 87 Ca -0.09 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.17 2dd5 s ASN 87 Cb 0.17 -1.67 -0.02 0.00 0.41 0.00 0.00 41.25 40.15 2dd5 s ASN 87 CO 0.75 0.27 -0.25 -0.69 -1.51 0.00 0.00 177.10 175.67 2dd5 s VAL 88 N -0.21 1.94 0.14 1.60 1.01 -1.26 -3.98 120.40 119.64 2dd5 s VAL 88 Ca 0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 2dd5 s VAL 88 Cb -0.12 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2dd5 s VAL 88 CO 0.02 0.51 0.07 -1.83 0.00 0.00 0.00 175.10 173.87 2dd5 s GLU 89 N -0.68 0.98 0.36 2.72 -1.05 -0.46 -4.15 118.70 116.43 2dd5 s GLU 89 Ca 0.10 -1.48 -0.25 0.00 -0.15 0.00 0.00 54.97 53.19 2dd5 s GLU 89 Cb -0.09 0.24 -0.09 0.00 -0.44 0.00 0.00 34.13 33.74 2dd5 s GLU 89 CO -0.00 -0.28 1.03 -1.58 0.95 0.00 0.00 175.26 175.37 2dd5 s TRP 90 N -4.06 3.43 -0.03 4.83 0.52 -1.26 -1.44 118.94 120.93 2dd5 s TRP 90 Ca 0.27 1.69 0.03 0.00 0.02 0.00 0.00 56.10 58.11 2dd5 s TRP 90 Cb 0.07 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 2dd5 s TRP 90 CO 0.04 -0.39 -0.12 -0.06 0.02 0.00 0.00 176.95 176.44 2dd5 s PHE 91 N -1.57 2.77 0.03 -1.98 0.40 -0.40 -0.96 117.98 116.27 2dd5 s PHE 91 Ca 0.54 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.83 2dd5 s PHE 91 Cb -0.23 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 2dd5 s PHE 91 CO 0.28 0.26 -0.21 0.71 0.70 0.00 0.00 175.22 176.97 2dd5 s TYR 92 N -0.82 1.83 -0.22 0.36 2.02 -0.63 -2.29 117.35 117.60 2dd5 s TYR 92 Ca 0.13 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2dd5 s TYR 92 Cb -0.11 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 2dd5 s TYR 92 CO 0.03 0.07 0.38 0.45 -1.57 0.00 0.00 175.55 174.90 2dd5 s SER 93 N -1.06 6.38 -0.03 2.29 0.15 0.23 -1.16 113.70 120.50 2dd5 s SER 93 Ca 0.08 0.45 0.07 0.00 0.70 0.00 0.00 55.95 57.25 2dd5 s SER 93 Cb -0.09 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2dd5 s SER 93 CO 0.01 -0.08 -0.25 -0.63 1.20 0.00 0.00 173.24 173.49 2dd5 s ILE 94 N 1.41 1.97 -0.18 6.45 1.01 0.27 -0.89 121.20 131.24 2dd5 s ILE 94 Ca 0.17 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.73 2dd5 s ILE 94 Cb -0.15 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 2dd5 s ILE 94 CO 0.08 0.55 -0.02 -0.69 0.00 0.00 0.00 174.94 174.87 2dd5 s VAL 95 N -0.46 3.97 0.06 2.92 1.01 -0.05 -1.67 120.40 126.20 2dd5 s VAL 95 Ca 0.06 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.79 2dd5 s VAL 95 Cb -0.11 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2dd5 s VAL 95 CO 0.00 0.46 -0.14 -0.36 0.00 0.00 0.00 175.10 175.07 2dd5 s PHE 96 N 0.62 2.65 0.04 5.22 0.08 0.54 -1.00 117.98 126.14 2dd5 s PHE 96 Ca -0.01 -0.20 -0.26 0.00 0.12 0.00 0.00 56.93 56.58 2dd5 s PHE 96 Cb -0.14 -1.46 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2dd5 s PHE 96 CO 0.02 0.34 0.81 0.00 -0.10 0.00 0.00 175.22 176.30 2dd5 s ALA 97 N -1.05 3.32 0.36 5.36 0.00 -1.26 -0.77 121.76 127.72 2dd5 s ALA 97 Ca 0.17 0.34 0.10 0.00 0.00 0.00 0.00 51.96 52.57 2dd5 s ALA 97 Cb -0.11 -3.08 0.85 0.00 0.00 0.00 0.00 23.12 20.79 2dd5 s ALA 97 CO 0.09 -0.00 1.87 1.96 0.00 0.00 0.00 175.76 179.67 2dd5 h GLN 98 N 5.92 0.64 0.00 0.00 1.08 -1.61 -0.06 115.11 121.07 2dd5 h GLN 98 Ca -0.43 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2dd5 h GLN 98 Cb 1.21 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2dd5 h GLN 98 CO 0.72 0.42 0.00 1.57 -0.95 0.00 0.00 178.83 180.59 2dd5 h LYS 99 N 0.66 0.00 0.00 1.46 2.10 -1.82 -0.52 116.57 118.44 2dd5 h LYS 99 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2dd5 h LYS 99 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2dd5 h LYS 99 CO -0.20 0.00 -0.38 -0.25 -2.00 0.00 0.00 179.45 176.62 2dd5 n ASP 100 N -2.96 0.75 -0.12 7.07 8.00 -0.04 -4.05 116.55 125.21 2dd5 n ASP 100 Ca -0.01 0.30 -0.21 0.00 0.71 0.00 0.00 54.79 55.58 2dd5 n ASP 100 Cb 0.19 -0.22 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 2dd5 n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dd5 n LEU 101 N -2.18 2.67 -4.15 0.64 4.77 -0.54 -4.90 117.00 113.31 2dd5 n LEU 101 Ca 0.04 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 2dd5 n LEU 101 Cb 0.44 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 2dd5 n LEU 101 CO 0.34 0.82 -0.41 0.26 -1.33 0.00 0.00 177.39 177.07 2dd5 s TRP 102 N -2.52 3.17 0.45 -1.77 0.52 -0.32 -5.00 118.94 113.48 2dd5 s TRP 102 Ca -0.34 -1.88 0.20 0.00 0.02 0.00 0.00 56.10 54.10 2dd5 s TRP 102 Cb 0.10 -2.03 1.17 0.00 -1.15 0.00 0.00 33.47 31.55 2dd5 s TRP 102 CO 0.59 -0.80 1.87 -1.35 0.02 0.00 0.00 176.95 177.28 2dd5 h PRO 103 N 7.94 0.31 -0.01 4.98 0.11 -1.87 -1.44 132.00 142.02 2dd5 h PRO 103 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dd5 h PRO 103 Cb 1.08 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2dd5 h PRO 103 CO 0.53 0.20 -0.16 -0.85 -0.21 0.00 0.00 178.00 177.51 2dd5 n GLU 104 N -4.46 0.73 -1.64 1.05 0.00 -1.26 -4.93 120.64 110.13 2dd5 n GLU 104 Ca 0.18 -0.33 -0.47 0.00 0.00 0.00 0.00 57.16 56.55 2dd5 n GLU 104 Cb 0.73 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.64 2dd5 n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dd5 n TYR 105 N -0.85 1.91 -2.42 -1.84 9.36 -0.54 -4.89 117.16 117.88 2dd5 n TYR 105 Ca 0.14 0.48 -0.41 0.00 3.32 0.00 0.00 57.90 61.43 2dd5 n TYR 105 Cb 0.30 -2.42 -0.04 0.00 -0.63 0.00 0.00 39.34 36.56 2dd5 n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dd5 s SER 106 N 0.36 7.15 0.61 2.98 0.15 -1.26 -4.92 113.70 118.77 2dd5 s SER 106 Ca 0.73 2.21 0.36 0.00 0.70 0.00 0.00 55.95 59.95 2dd5 s SER 106 Cb -0.74 -2.61 1.97 0.00 -1.71 0.00 0.00 66.02 62.94 2dd5 s SER 106 CO 0.48 -0.30 2.25 0.44 1.20 0.00 0.00 173.24 177.30 2dd5 h ASP 107 N 4.99 0.00 -0.26 5.45 3.32 -2.00 -1.37 116.42 126.55 2dd5 h ASP 107 Ca -0.45 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.64 2dd5 h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dd5 h ASP 107 CO 0.73 0.02 0.18 0.74 -1.72 0.00 0.00 179.24 179.19 2dd5 h THR 108 N 0.00 0.97 -1.80 0.35 2.02 -2.01 -2.09 112.91 110.35 2dd5 h THR 108 Ca -0.00 -0.06 -0.66 0.00 0.77 0.00 0.00 66.41 66.46 2dd5 h THR 108 Cb 0.11 0.77 -0.37 0.00 -1.74 0.00 0.00 68.15 66.92 2dd5 h THR 108 CO 0.00 0.03 -0.08 0.49 0.37 0.00 0.00 175.52 176.34 2dd5 n PHE 109 N -4.49 3.33 0.30 3.16 3.72 -0.52 -4.84 117.46 118.12 2dd5 n PHE 109 Ca 0.02 -2.95 0.07 0.00 -0.05 0.00 0.00 57.45 54.54 2dd5 n PHE 109 Cb 0.21 -0.52 0.33 0.00 -0.94 0.00 0.00 39.48 38.55 2dd5 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd5 n ALA 110 N -0.44 1.41 1.02 4.37 0.00 -0.79 -2.80 120.51 123.27 2dd5 n ALA 110 Ca 0.43 0.04 0.11 0.00 0.00 0.00 0.00 53.44 54.02 2dd5 n ALA 110 Cb 0.48 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.72 2dd5 n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dd5 n ASN 111 N -1.81 2.01 -4.77 0.00 5.03 -1.26 -4.94 115.26 109.53 2dd5 n ASN 111 Ca 0.02 -1.50 -0.39 0.00 0.87 0.00 0.00 54.58 53.58 2dd5 n ASN 111 Cb 0.12 0.44 -0.00 0.00 -1.02 0.00 0.00 39.78 39.32 2dd5 n ASN 111 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2dd5 s ASP 112 N -2.46 6.24 0.26 6.41 1.01 -1.12 -4.96 116.67 122.05 2dd5 s ASP 112 Ca 0.19 2.61 0.03 0.00 0.71 0.00 0.00 52.55 56.09 2dd5 s ASP 112 Cb 0.18 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 2dd5 s ASP 112 CO 0.56 -0.89 0.19 0.42 0.21 0.00 0.00 175.17 175.66 2dd5 s THR 113 N -1.30 0.03 -0.03 -1.27 -4.23 -1.26 -1.61 115.64 105.97 2dd5 s THR 113 Ca 0.58 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2dd5 s THR 113 Cb -0.37 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.00 2dd5 s THR 113 CO 0.47 0.00 0.01 -0.22 -0.54 0.00 0.00 174.62 174.34 2dd5 s LEU 114 N -3.26 1.09 -0.08 4.79 0.20 0.05 -4.80 118.68 116.67 2dd5 s LEU 114 Ca 0.39 -0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.23 2dd5 s LEU 114 Cb 0.05 -0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.60 2dd5 s LEU 114 CO 0.19 -0.11 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.26 2dd5 s GLU 115 N 1.10 2.83 0.24 1.98 2.12 -1.26 -0.34 118.70 125.37 2dd5 s GLU 115 Ca -0.09 -0.75 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 2dd5 s GLU 115 Cb -0.13 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 31.87 2dd5 s GLU 115 CO -0.02 0.41 0.58 -0.08 -0.54 0.00 0.00 175.26 175.61 2dd5 s THR 116 N -0.19 0.01 -0.09 -1.70 -1.32 -0.67 -4.97 115.64 106.71 2dd5 s THR 116 Ca -0.01 -1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 59.43 2dd5 s THR 116 Cb -0.13 -1.89 -0.03 0.00 -1.51 0.00 0.00 72.50 68.93 2dd5 s THR 116 CO 0.03 -0.04 0.01 -1.61 -2.21 0.00 0.00 174.62 170.80 2dd5 s GLU 117 N -3.93 3.01 -0.01 7.08 2.02 -1.26 -0.57 118.70 125.04 2dd5 s GLU 117 Ca 0.13 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2dd5 s GLU 117 Cb -0.03 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.41 2dd5 s GLU 117 CO 0.04 0.71 0.01 0.42 0.02 0.00 0.00 175.26 176.46 2dd5 s ILE 118 N -0.90 -0.00 0.58 -1.63 1.01 -0.31 -4.94 121.20 115.01 2dd5 s ILE 118 Ca 0.13 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 2dd5 s ILE 118 Cb -0.11 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 2dd5 s ILE 118 CO 0.03 0.07 1.10 -2.16 0.00 0.00 0.00 174.94 173.97 2dd5 s PRO 119 N 0.69 3.22 0.35 2.79 0.04 -1.26 -1.61 135.00 139.23 2dd5 s PRO 119 Ca -0.06 1.44 0.15 0.00 0.04 0.00 0.00 61.00 62.57 2dd5 s PRO 119 Cb -0.09 -2.00 1.03 0.00 0.04 0.00 0.00 34.50 33.48 2dd5 s PRO 119 CO -0.02 -0.92 1.72 1.49 0.04 0.00 0.00 177.00 179.31 2dd5 h GLU 120 N 0.73 0.42 -0.29 4.56 4.81 -1.39 -2.14 114.58 121.28 2dd5 h GLU 120 Ca -0.48 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.80 2dd5 h GLU 120 Cb 1.24 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2dd5 h GLU 120 CO 0.56 0.28 0.35 0.07 -0.73 0.00 0.00 179.01 179.54 2dd5 h ARG 121 N 0.43 0.00 -0.01 1.92 0.11 -1.92 -0.06 114.38 114.86 2dd5 h ARG 121 Ca 0.67 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.75 2dd5 h ARG 121 Cb 1.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.59 2dd5 h ARG 121 CO -0.45 0.00 -0.28 0.66 0.10 0.00 0.00 179.97 180.00 2dd5 n TYR 122 N -3.64 0.00 -3.93 4.08 4.01 -0.81 -4.92 117.16 111.96 2dd5 n TYR 122 Ca 0.04 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.45 2dd5 n TYR 122 Cb 0.49 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.34 2dd5 n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dd5 s LEU 123 N -2.55 4.31 -0.02 7.72 1.43 -0.04 -0.11 118.68 129.42 2dd5 s LEU 123 Ca 0.23 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.61 2dd5 s LEU 123 Cb 0.19 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.92 2dd5 s LEU 123 CO 0.54 0.28 0.13 -1.83 0.23 0.00 0.00 176.35 175.70 2dd5 s GLU 124 N -1.79 0.36 0.17 1.70 -1.05 -1.03 -4.94 118.70 112.12 2dd5 s GLU 124 Ca 0.25 -0.18 -0.34 0.00 -0.15 0.00 0.00 54.97 54.56 2dd5 s GLU 124 Cb -0.12 0.15 -0.15 0.00 -0.44 0.00 0.00 34.13 33.57 2dd5 s GLU 124 CO 0.16 -0.08 1.42 0.36 0.95 0.00 0.00 175.26 178.07 2dd5 n LYS 125 N 2.04 1.76 0.00 -4.83 2.85 -1.26 -1.16 118.16 117.55 2dd5 n LYS 125 Ca -0.19 0.63 0.00 0.00 -1.05 0.00 0.00 58.31 57.70 2dd5 n LYS 125 Cb 0.57 -2.30 0.02 0.00 -0.65 0.00 0.00 35.03 32.67 2dd5 n LYS 125 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35