#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 s TRP 10 N 0.00 3.17 -0.42 3.52 0.52 -1.26 -5.06 118.94 119.41 2dd4 s TRP 10 Ca 0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 56.10 55.73 2dd4 s TRP 10 Cb 0.00 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 2dd4 s TRP 10 CO 0.00 0.01 1.19 0.34 0.02 0.00 0.00 176.95 178.50 2dd4 s ASP 11 N 0.65 6.64 -0.07 2.95 -1.08 -1.26 -4.89 116.67 119.61 2dd4 s ASP 11 Ca 0.02 0.70 0.20 0.00 -0.52 0.00 0.00 52.55 52.95 2dd4 s ASP 11 Cb -0.13 -2.55 0.68 0.00 -1.46 0.00 0.00 42.92 39.46 2dd4 s ASP 11 CO 0.02 -1.20 1.59 0.54 0.52 0.00 0.00 175.17 176.63 2dd4 n ARG 12 N 7.66 3.32 -0.00 4.34 1.74 -1.26 -4.32 116.66 128.15 2dd4 n ARG 12 Ca 0.13 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.43 2dd4 n ARG 12 Cb 0.48 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2dd4 n ARG 12 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dd4 n THR 13 N 1.30 0.00 -0.06 0.55 -2.24 -1.26 -4.81 114.28 107.76 2dd4 n THR 13 Ca 0.25 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 2dd4 n THR 13 Cb 0.78 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2dd4 n THR 13 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2dd4 h HIS 14 N 0.00 -1.06 0.13 4.78 6.17 -2.00 -0.42 115.15 122.74 2dd4 h HIS 14 Ca 0.00 0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.13 2dd4 h HIS 14 Cb 0.03 0.50 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 2dd4 h HIS 14 CO 0.00 -0.43 -0.10 1.25 0.71 0.00 0.00 177.93 179.36 2dd4 h HIS 15 N -0.37 -0.26 -0.38 5.26 6.17 -1.88 -1.62 115.15 122.07 2dd4 h HIS 15 Ca 0.12 -0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.23 2dd4 h HIS 15 Cb 0.58 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 2dd4 h HIS 15 CO -0.51 -0.16 0.19 0.00 0.71 0.00 0.00 177.93 178.16 2dd4 h ALA 16 N 0.62 0.47 -0.70 5.26 0.00 -1.84 0.22 119.26 123.29 2dd4 h ALA 16 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2dd4 h ALA 16 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2dd4 h ALA 16 CO -0.01 -0.17 0.46 0.87 0.00 0.00 0.00 179.25 180.40 2dd4 h LYS 17 N 0.39 0.78 0.21 0.00 1.57 -0.94 0.66 116.57 119.24 2dd4 h LYS 17 Ca 0.16 -0.05 -0.32 0.00 -1.87 0.00 0.00 60.65 58.58 2dd4 h LYS 17 Cb 0.06 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 32.22 2dd4 h LYS 17 CO -0.11 0.51 -1.41 1.98 -0.57 0.00 0.00 179.45 179.86 2dd4 h MET 18 N 0.80 0.44 0.00 3.15 4.05 -0.53 -3.39 114.93 119.45 2dd4 h MET 18 Ca 0.28 -0.75 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 2dd4 h MET 18 Cb 0.12 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2dd4 h MET 18 CO -0.08 1.36 -1.48 0.00 0.23 0.00 0.00 176.91 176.93 2dd4 n ALA 19 N -2.66 3.47 -1.68 0.39 0.00 0.70 -4.85 120.51 115.90 2dd4 n ALA 19 Ca -0.14 -0.51 -0.45 0.00 0.00 0.00 0.00 53.44 52.34 2dd4 n ALA 19 Cb 1.08 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 2dd4 n ALA 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dd4 n THR 20 N -2.00 0.36 -0.84 0.00 -1.04 0.21 0.06 114.28 111.01 2dd4 n THR 20 Ca -0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2dd4 n THR 20 Cb 0.47 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 2dd4 n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dd4 n GLY 21 N 2.96 0.54 0.83 3.41 0.00 -1.26 -4.71 105.19 106.96 2dd4 n GLY 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2dd4 n GLY 21 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2dd4 n ILE 22 N -2.13 0.00 0.00 -0.61 2.08 -0.00 -5.15 119.36 113.54 2dd4 n ILE 22 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2dd4 n ILE 22 Cb 0.04 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 2dd4 n ILE 22 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2dd4 n GLY 23 N 2.81 1.11 3.12 7.39 0.00 0.11 -4.62 105.19 115.12 2dd4 n GLY 23 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 2dd4 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dd4 s ASP 24 N -0.36 2.42 0.00 1.61 -1.08 -1.26 -0.88 116.67 117.12 2dd4 s ASP 24 Ca 0.00 -0.43 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 2dd4 s ASP 24 Cb 0.00 -1.10 0.56 0.00 -1.46 0.00 0.00 42.92 40.92 2dd4 s ASP 24 CO 0.00 0.10 1.38 -0.81 0.52 0.00 0.00 175.17 176.36 2dd4 n PRO 25 N 3.64 1.25 -0.33 4.34 -0.04 -1.26 -4.95 135.00 137.65 2dd4 n PRO 25 Ca -0.21 -0.38 0.18 0.00 -0.04 0.00 0.00 63.50 63.06 2dd4 n PRO 25 Cb 0.52 -1.21 0.42 0.00 -0.04 0.00 0.00 33.50 33.20 2dd4 n PRO 25 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2dd4 h GLN 26 N 0.69 0.53 0.00 0.54 7.50 -1.80 0.90 115.11 123.46 2dd4 h GLN 26 Ca 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 2dd4 h GLN 26 Cb 0.15 -0.12 0.00 0.00 0.05 0.00 0.00 27.48 27.56 2dd4 h GLN 26 CO 0.00 0.35 0.00 0.00 -1.50 0.00 0.00 178.83 177.68 2dd4 n PHE 28 N -1.90 0.06 -1.65 0.00 3.72 0.31 -4.99 117.46 113.00 2dd4 n PHE 28 Ca 0.00 -0.03 -0.46 0.00 -0.05 0.00 0.00 57.45 56.91 2dd4 n PHE 28 Cb 0.08 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.58 2dd4 n PHE 28 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dd4 n LYS 29 N 1.20 1.92 -0.15 -1.08 4.81 -0.51 -1.75 118.16 122.60 2dd4 n LYS 29 Ca 0.13 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 2dd4 n LYS 29 Cb 0.53 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.20 2dd4 n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dd4 n GLY 30 N 2.71 2.21 0.12 3.14 0.00 -1.26 -4.89 105.19 107.22 2dd4 n GLY 30 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2dd4 n GLY 30 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2dd4 h MET 31 N 2.52 0.00 0.00 1.61 2.86 -1.72 -3.24 114.93 116.96 2dd4 h MET 31 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dd4 h MET 31 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2dd4 h MET 31 CO 0.00 0.00 -0.46 0.00 1.06 0.00 0.00 176.91 177.51 2dd4 h ALA 32 N 2.44 0.70 -0.09 6.32 0.00 -1.77 -3.42 119.26 123.43 2dd4 h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dd4 h ALA 32 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2dd4 h ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2dd4 n GLY 33 N 1.31 0.02 3.73 0.00 0.00 -1.22 -4.80 105.19 104.22 2dd4 n GLY 33 Ca 0.04 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2dd4 n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dd4 s LYS 34 N 0.00 4.67 0.29 1.61 2.36 -1.26 -4.98 119.74 122.43 2dd4 s LYS 34 Ca 0.00 1.55 -0.29 0.00 -2.55 0.00 0.00 55.97 54.68 2dd4 s LYS 34 Cb 0.00 -3.34 -0.10 0.00 -1.05 0.00 0.00 37.83 33.35 2dd4 s LYS 34 CO 0.00 0.18 1.19 -1.54 1.55 0.00 0.00 175.35 176.73 2dd4 s SER 35 N -0.10 7.07 0.33 1.43 1.04 -1.26 -4.94 113.70 117.27 2dd4 s SER 35 Ca 0.48 2.43 0.18 0.00 0.48 0.00 0.00 55.95 59.51 2dd4 s SER 35 Cb -0.26 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.52 2dd4 s SER 35 CO 0.32 -0.31 1.55 0.50 0.98 0.00 0.00 173.24 176.28 2dd4 h LYS 36 N 3.76 0.00 -5.24 4.02 3.64 -1.97 -3.46 116.57 117.33 2dd4 h LYS 36 Ca -0.47 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.47 2dd4 h LYS 36 Cb 1.22 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2dd4 h LYS 36 CO 0.67 0.40 -0.65 -0.06 -2.27 0.00 0.00 179.45 177.54 2dd4 s PHE 37 N -3.16 1.77 0.16 1.91 0.08 -1.26 -5.12 117.98 112.36 2dd4 s PHE 37 Ca 0.03 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.22 2dd4 s PHE 37 Cb 0.08 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 2dd4 s PHE 37 CO 0.71 0.06 0.03 -0.80 -0.10 0.00 0.00 175.22 175.12 2dd4 s ASN 38 N -3.39 0.89 0.20 1.36 -0.87 -1.26 -5.07 114.94 106.80 2dd4 s ASN 38 Ca 0.31 -1.20 -0.32 0.00 -1.57 0.00 0.00 52.86 50.08 2dd4 s ASN 38 Cb 0.06 0.18 -0.14 0.00 -0.02 0.00 0.00 41.25 41.33 2dd4 s ASN 38 CO 0.11 -0.63 1.32 0.52 -2.57 0.00 0.00 177.10 175.85 2dd4 n VAL 39 N -0.20 0.84 0.00 1.60 0.31 -1.26 -1.80 118.33 117.82 2dd4 n VAL 39 Ca -0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2dd4 n VAL 39 Cb 0.63 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2dd4 n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dd4 n GLY 40 N 2.18 3.12 3.77 2.92 0.00 0.52 -5.01 105.19 112.69 2dd4 n GLY 40 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2dd4 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dd4 s ASP 41 N -0.36 6.29 -0.25 1.61 1.01 -0.74 -4.71 116.67 119.52 2dd4 s ASP 41 Ca 0.00 2.61 -0.17 0.00 0.71 0.00 0.00 52.55 55.70 2dd4 s ASP 41 Cb 0.00 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2dd4 s ASP 41 CO 0.00 -0.86 0.46 -0.13 0.21 0.00 0.00 175.17 174.85 2dd4 s ARG 42 N -2.28 4.08 0.08 8.23 1.81 -1.26 -1.81 118.95 127.79 2dd4 s ARG 42 Ca 0.58 0.24 0.06 0.00 -1.72 0.00 0.00 55.73 54.89 2dd4 s ARG 42 Cb -0.37 -3.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.47 2dd4 s ARG 42 CO 0.47 -0.27 -0.17 0.14 -0.68 0.00 0.00 175.30 174.79 2dd4 s VAL 43 N 2.05 1.38 0.00 3.52 -7.23 -0.35 0.29 120.40 120.07 2dd4 s VAL 43 Ca 0.19 -1.40 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 2dd4 s VAL 43 Cb -0.16 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 2dd4 s VAL 43 CO 0.09 -0.14 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.10 2dd4 s ARG 44 N -1.79 2.62 -0.29 4.82 3.52 -0.49 -0.30 118.95 127.05 2dd4 s ARG 44 Ca 0.02 -0.69 -0.23 0.00 -0.13 0.00 0.00 55.73 54.69 2dd4 s ARG 44 Cb -0.10 -2.55 -0.00 0.00 -1.56 0.00 0.00 34.95 30.74 2dd4 s ARG 44 CO 0.03 0.61 0.78 0.42 -0.81 0.00 0.00 175.30 176.33 2dd4 s ILE 45 N -1.03 4.82 0.32 4.11 -1.09 -0.23 -2.68 121.20 125.42 2dd4 s ILE 45 Ca 0.18 1.26 -0.29 0.00 -2.23 0.00 0.00 60.65 59.57 2dd4 s ILE 45 Cb -0.11 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.55 2dd4 s ILE 45 CO 0.09 -0.19 1.23 -0.54 -1.23 0.00 0.00 174.94 174.30 2dd4 s LYS 46 N 2.89 4.41 -1.25 2.79 1.02 0.73 -0.19 119.74 130.13 2dd4 s LYS 46 Ca 0.32 2.06 -0.08 0.00 0.02 0.00 0.00 55.97 58.29 2dd4 s LYS 46 Cb -0.14 -3.07 0.19 0.00 -0.52 0.00 0.00 37.83 34.29 2dd4 s LYS 46 CO 0.11 -0.09 1.85 -3.47 -0.92 0.00 0.00 175.35 172.84 2dd4 n ASP 47 N 0.84 5.49 -4.77 2.83 2.03 -1.26 -4.73 116.55 116.98 2dd4 n ASP 47 Ca 0.00 -3.17 -0.34 0.00 0.52 0.00 0.00 54.79 51.80 2dd4 n ASP 47 Cb 0.43 -1.44 0.03 0.00 -0.72 0.00 0.00 41.12 39.43 2dd4 n ASP 47 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2dd4 s LEU 48 N -0.72 3.54 0.36 -2.67 1.43 -1.26 -4.94 118.68 114.43 2dd4 s LEU 48 Ca 0.39 2.13 -0.26 0.00 -1.03 0.00 0.00 54.13 55.36 2dd4 s LEU 48 Cb 0.10 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.63 2dd4 s LEU 48 CO 0.01 -1.52 1.09 -2.65 0.23 0.00 0.00 176.35 173.51 2dd4 n PRO 49 N -1.95 1.56 -0.08 1.29 -0.02 -1.26 -4.90 135.00 129.64 2dd4 n PRO 49 Ca 0.11 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 2dd4 n PRO 49 Cb 0.51 -2.07 0.10 0.00 -0.02 0.00 0.00 33.50 32.02 2dd4 n PRO 49 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2dd4 n ASP 50 N 0.76 2.37 -4.62 2.55 5.75 -1.26 -5.03 116.55 117.07 2dd4 n ASP 50 Ca 0.08 -2.63 -0.48 0.00 -0.01 0.00 0.00 54.79 51.76 2dd4 n ASP 50 Cb 0.36 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 2dd4 n ASP 50 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2dd4 n LEU 51 N -0.92 2.29 0.00 -2.12 7.94 -1.26 -2.90 117.00 120.03 2dd4 n LEU 51 Ca 0.10 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 2dd4 n LEU 51 Cb 0.51 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2dd4 n LEU 51 CO 0.02 -0.84 0.00 0.49 -1.11 0.00 0.00 177.39 175.95 2dd4 n PHE 52 N 2.14 0.00 -3.58 1.96 0.99 -1.26 -4.84 117.46 112.87 2dd4 n PHE 52 Ca 0.15 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.49 2dd4 n PHE 52 Cb 0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.69 2dd4 n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2dd4 s TYR 53 N 0.00 -0.42 -0.20 1.38 5.04 -1.14 -5.17 117.35 116.84 2dd4 s TYR 53 Ca 0.00 0.79 -0.30 0.00 -2.44 0.00 0.00 57.07 55.12 2dd4 s TYR 53 Cb 0.00 0.43 0.15 0.00 0.35 0.00 0.00 41.96 42.89 2dd4 s TYR 53 CO 0.00 -0.36 1.14 -0.08 -1.34 0.00 0.00 175.55 174.91 2dd4 s THR 54 N -0.89 0.00 -0.10 4.34 -1.32 -1.26 -4.82 115.64 111.59 2dd4 s THR 54 Ca -0.02 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.60 2dd4 s THR 54 Cb -0.01 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 2dd4 s THR 54 CO 0.01 0.00 1.11 0.54 -2.21 0.00 0.00 174.62 174.07 2dd4 n ARG 55 N 0.54 1.44 -3.63 7.08 1.74 -1.26 -4.88 116.66 117.69 2dd4 n ARG 55 Ca -0.06 -2.28 -0.39 0.00 -0.77 0.00 0.00 57.85 54.36 2dd4 n ARG 55 Cb 0.58 -1.34 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 2dd4 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2dd4 s THR 56 N -2.35 4.03 0.24 0.55 2.01 -1.26 -4.99 115.64 113.87 2dd4 s THR 56 Ca 0.24 -2.39 -0.28 0.00 0.31 0.00 0.00 61.69 59.57 2dd4 s THR 56 Cb 0.21 -3.63 -0.15 0.00 0.01 0.00 0.00 72.50 68.94 2dd4 s THR 56 CO 0.02 -0.83 0.80 0.23 -0.69 0.00 0.00 174.62 174.15 2dd4 n MET 57 N 4.17 0.74 -0.21 4.92 2.81 -1.26 -4.87 117.12 123.41 2dd4 n MET 57 Ca 0.02 0.26 0.11 0.00 -1.81 0.00 0.00 57.70 56.28 2dd4 n MET 57 Cb 0.40 -1.47 0.40 0.00 -0.71 0.00 0.00 33.22 31.85 2dd4 n MET 57 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2dd4 h THR 58 N 1.58 0.88 0.00 2.03 2.02 -1.99 -1.89 112.91 115.55 2dd4 h THR 58 Ca -0.35 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2dd4 h THR 58 Cb 1.38 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2dd4 h THR 58 CO 0.59 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.60 2dd4 n TYR 59 N -4.51 0.77 0.62 3.16 0.18 -1.26 -2.15 117.16 113.97 2dd4 n TYR 59 Ca 0.14 0.36 0.11 0.00 1.88 0.00 0.00 57.90 60.40 2dd4 n TYR 59 Cb 0.41 -1.08 -0.04 0.00 -0.38 0.00 0.00 39.34 38.24 2dd4 n TYR 59 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2dd4 n THR 60 N -2.26 0.08 -1.69 -3.48 -2.24 -0.71 -4.89 114.28 99.09 2dd4 n THR 60 Ca -0.00 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 61.13 2dd4 n THR 60 Cb 0.10 0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.71 2dd4 n THR 60 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dd4 n ARG 61 N -1.85 2.40 -0.79 -0.78 5.12 -0.91 -1.62 116.66 118.23 2dd4 n ARG 61 Ca 0.02 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2dd4 n ARG 61 Cb 0.42 -2.68 0.00 0.00 -1.16 0.00 0.00 32.46 29.05 2dd4 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd4 n GLY 62 N 3.72 1.27 3.88 -0.13 0.00 0.73 -4.97 105.19 109.69 2dd4 n GLY 62 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2dd4 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dd4 s ALA 63 N -3.61 3.50 -0.09 4.61 0.00 -0.64 -4.73 121.76 120.80 2dd4 s ALA 63 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2dd4 s ALA 63 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2dd4 s ALA 63 CO 0.00 0.28 -0.06 0.99 0.00 0.00 0.00 175.76 176.97 2dd4 s THR 64 N -2.06 3.80 0.26 0.00 2.01 -1.26 -1.07 115.64 117.32 2dd4 s THR 64 Ca 0.48 -0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2dd4 s THR 64 Cb -0.11 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2dd4 s THR 64 CO 0.26 0.57 0.24 0.61 -0.69 0.00 0.00 174.62 175.62 2dd4 n GLY 65 N 2.55 3.04 3.35 4.40 0.00 0.59 -4.68 105.19 114.44 2dd4 n GLY 65 Ca -0.18 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 2dd4 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dd4 s THR 66 N -3.03 2.92 -0.05 2.61 2.01 -0.12 -1.21 115.64 118.77 2dd4 s THR 66 Ca 0.31 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 2dd4 s THR 66 Cb 0.01 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 2dd4 s THR 66 CO 0.22 0.53 1.20 -0.63 -0.69 0.00 0.00 174.62 175.25 2dd4 s ILE 67 N 0.39 4.24 -0.58 1.82 1.01 -0.75 -0.47 121.20 126.86 2dd4 s ILE 67 Ca -0.11 1.57 0.06 0.00 0.00 0.00 0.00 60.65 62.17 2dd4 s ILE 67 Cb -0.16 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2dd4 s ILE 67 CO 0.06 0.01 0.49 1.33 0.00 0.00 0.00 174.94 176.82 2dd4 n VAL 68 N 4.57 0.00 -3.64 2.92 0.24 -0.38 -0.35 118.33 121.69 2dd4 n VAL 68 Ca 0.11 -0.43 -0.05 0.00 -2.04 0.00 0.00 64.34 61.93 2dd4 n VAL 68 Cb 0.46 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 2dd4 n VAL 68 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2dd4 s ARG 69 N -1.06 0.22 -0.54 7.34 3.52 -1.22 -4.92 118.95 122.29 2dd4 s ARG 69 Ca 0.05 0.20 -0.17 0.00 -0.13 0.00 0.00 55.73 55.68 2dd4 s ARG 69 Cb 0.05 0.11 0.11 0.00 -1.56 0.00 0.00 34.95 33.66 2dd4 s ARG 69 CO 0.17 -0.04 0.56 -0.51 -0.81 0.00 0.00 175.30 174.66 2dd4 s LEU 70 N -0.23 5.75 0.16 -0.88 1.02 -1.26 -0.83 118.68 122.42 2dd4 s LEU 70 Ca 0.06 -1.54 -0.06 0.00 0.02 0.00 0.00 54.13 52.61 2dd4 s LEU 70 Cb -0.04 -2.25 0.03 0.00 0.02 0.00 0.00 46.19 43.94 2dd4 s LEU 70 CO -0.10 -0.91 1.44 -0.37 0.02 0.00 0.00 176.35 176.43 2dd4 h VAL 71 N 5.88 1.32 0.00 -1.59 -1.51 -1.80 -3.49 116.25 115.06 2dd4 h VAL 71 Ca -0.29 -1.89 0.00 0.00 -1.23 0.00 0.00 66.70 63.29 2dd4 h VAL 71 Cb 1.10 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 2dd4 h VAL 71 CO 1.03 0.59 0.00 0.00 -1.23 0.00 0.00 177.57 177.96 2dd4 n TYR 72 N -3.94 0.00 -4.68 5.19 0.18 -1.25 -5.04 117.16 107.63 2dd4 n TYR 72 Ca -0.04 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.43 2dd4 n TYR 72 Cb 0.65 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.48 2dd4 n TYR 72 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2dd4 s GLU 73 N -1.70 1.94 -0.26 -3.48 2.02 -1.26 -1.11 118.70 114.85 2dd4 s GLU 73 Ca 0.00 -1.05 -0.33 0.00 0.02 0.00 0.00 54.97 53.61 2dd4 s GLU 73 Cb 0.00 -2.11 0.17 0.00 0.10 0.00 0.00 34.13 32.28 2dd4 s GLU 73 CO 0.00 0.52 1.31 0.45 0.02 0.00 0.00 175.26 177.56 2dd4 s SER 74 N -1.48 -0.07 0.54 -0.19 0.15 -0.62 -4.58 113.70 107.45 2dd4 s SER 74 Ca 0.14 0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 2dd4 s SER 74 Cb -0.10 0.07 -0.05 0.00 -1.71 0.00 0.00 66.02 64.22 2dd4 s SER 74 CO 0.05 -0.09 1.20 -2.16 1.20 0.00 0.00 173.24 173.43 2dd4 s PRO 75 N -1.60 3.32 0.64 5.44 0.04 -1.26 -1.82 135.00 139.75 2dd4 s PRO 75 Ca 0.09 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 2dd4 s PRO 75 Cb -0.01 -2.13 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2dd4 s PRO 75 CO -0.05 -0.93 1.26 0.00 0.04 0.00 0.00 177.00 177.32 2dd4 s ALA 76 N -1.58 2.41 0.42 8.56 0.00 -1.26 -4.73 121.76 125.58 2dd4 s ALA 76 Ca 0.71 1.11 0.12 0.00 0.00 0.00 0.00 51.96 53.90 2dd4 s ALA 76 Cb -0.30 -3.51 0.91 0.00 0.00 0.00 0.00 23.12 20.22 2dd4 s ALA 76 CO 0.34 -1.48 1.97 0.00 0.00 0.00 0.00 175.76 176.60 2dd4 h ALA 77 N 0.58 1.63 -0.19 0.00 0.00 -1.98 0.53 119.26 119.83 2dd4 h ALA 77 Ca -0.50 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.30 2dd4 h ALA 77 Cb 1.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dd4 h ALA 77 CO 0.53 0.27 0.16 0.93 0.00 0.00 0.00 179.25 181.15 2dd4 h GLU 78 N 0.15 0.00 0.01 0.00 3.07 -1.89 -0.14 114.58 115.77 2dd4 h GLU 78 Ca 0.03 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.48 2dd4 h GLU 78 Cb 0.29 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 2dd4 h GLU 78 CO 0.02 0.00 -2.40 -0.25 -1.40 0.00 0.00 179.01 174.97 2dd4 n ASP 79 N -4.19 1.97 -0.35 1.42 8.00 -0.53 -4.48 116.55 118.40 2dd4 n ASP 79 Ca 0.02 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2dd4 n ASP 79 Cb 0.29 -0.65 0.14 0.00 -0.02 0.00 0.00 41.12 40.88 2dd4 n ASP 79 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dd4 h GLU 80 N -0.49 1.13 0.00 -1.24 4.81 -0.78 0.18 114.58 118.18 2dd4 h GLU 80 Ca -0.61 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 2dd4 h GLU 80 Cb 1.75 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.88 2dd4 h GLU 80 CO -0.23 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2dd4 n ALA 81 N -2.36 1.50 -1.11 2.92 0.00 -0.08 -1.62 120.51 119.76 2dd4 n ALA 81 Ca 0.13 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.62 2dd4 n ALA 81 Cb 0.12 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 18.54 2dd4 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2dd4 n PHE 82 N -1.39 0.00 -1.28 0.00 3.72 -0.61 -4.98 117.46 112.92 2dd4 n PHE 82 Ca 0.03 -0.86 -0.07 0.00 -0.05 0.00 0.00 57.45 56.50 2dd4 n PHE 82 Cb 0.09 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 2dd4 n PHE 82 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dd4 n GLY 83 N -1.23 0.88 3.16 1.37 0.00 -0.64 -5.00 105.19 103.73 2dd4 n GLY 83 Ca 0.13 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2dd4 n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dd4 s ASN 84 N -2.91 5.42 -0.03 1.61 0.02 -0.05 -4.92 114.94 114.09 2dd4 s ASN 84 Ca 0.00 -1.95 0.08 0.00 -1.02 0.00 0.00 52.86 49.97 2dd4 s ASN 84 Cb 0.00 -1.90 0.21 0.00 0.02 0.00 0.00 41.25 39.59 2dd4 s ASN 84 CO 0.00 -0.59 1.17 -0.62 0.02 0.00 0.00 177.10 177.08 2dd4 n GLU 85 N 4.72 2.80 0.24 -0.60 1.02 -1.26 -3.11 120.64 124.44 2dd4 n GLU 85 Ca -0.05 -1.97 0.07 0.00 -0.02 0.00 0.00 57.16 55.19 2dd4 n GLU 85 Cb 0.41 -1.25 0.57 0.00 -0.02 0.00 0.00 31.44 31.16 2dd4 n GLU 85 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2dd4 h GLU 86 N 1.08 0.00 -5.61 3.49 3.07 -1.97 -3.42 114.58 111.21 2dd4 h GLU 86 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 2dd4 h GLU 86 Cb 0.74 0.00 -0.18 0.00 -0.84 0.00 0.00 28.75 28.47 2dd4 h GLU 86 CO 0.02 0.12 -0.63 -0.80 -1.40 0.00 0.00 179.01 176.32 2dd4 s ASN 87 N -6.91 5.09 -0.04 1.42 0.01 -1.26 -5.10 114.94 108.14 2dd4 s ASN 87 Ca -0.04 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.18 2dd4 s ASN 87 Cb 0.16 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 2dd4 s ASN 87 CO 0.67 0.26 -0.19 -0.69 -1.51 0.00 0.00 177.10 175.65 2dd4 s VAL 88 N -0.20 1.54 0.20 1.60 1.01 -1.26 -3.97 120.40 119.32 2dd4 s VAL 88 Ca 0.05 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2dd4 s VAL 88 Cb -0.13 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 2dd4 s VAL 88 CO 0.02 0.44 0.05 -1.83 0.00 0.00 0.00 175.10 173.79 2dd4 s GLU 89 N -0.11 1.20 0.33 2.72 -1.05 -0.76 -4.07 118.70 116.96 2dd4 s GLU 89 Ca -0.01 -1.61 -0.27 0.00 -0.15 0.00 0.00 54.97 52.93 2dd4 s GLU 89 Cb -0.11 -0.15 -0.09 0.00 -0.44 0.00 0.00 34.13 33.34 2dd4 s GLU 89 CO 0.02 -0.23 1.04 -1.58 0.95 0.00 0.00 175.26 175.45 2dd4 s TRP 90 N -3.79 3.52 -0.09 4.83 0.52 -1.26 -1.58 118.94 121.09 2dd4 s TRP 90 Ca 0.30 1.72 -0.00 0.00 0.02 0.00 0.00 56.10 58.14 2dd4 s TRP 90 Cb 0.07 -3.13 -0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2dd4 s TRP 90 CO 0.08 -0.35 -0.07 -0.06 0.02 0.00 0.00 176.95 176.57 2dd4 s PHE 91 N -1.42 2.94 -0.03 -1.98 0.40 -0.27 -0.78 117.98 116.83 2dd4 s PHE 91 Ca 0.50 -0.11 0.07 0.00 -0.60 0.00 0.00 56.93 56.79 2dd4 s PHE 91 Cb -0.25 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.49 2dd4 s PHE 91 CO 0.32 0.20 -0.24 0.71 0.70 0.00 0.00 175.22 176.92 2dd4 s TYR 92 N -0.46 2.20 -0.22 0.36 2.02 -0.61 -2.16 117.35 118.47 2dd4 s TYR 92 Ca 0.07 -0.50 -0.19 0.00 -0.37 0.00 0.00 57.07 56.08 2dd4 s TYR 92 Cb -0.12 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 2dd4 s TYR 92 CO 0.02 -0.10 0.53 0.45 -1.57 0.00 0.00 175.55 174.88 2dd4 s SER 93 N -0.40 6.54 -0.03 2.29 0.15 -0.01 -1.29 113.70 120.94 2dd4 s SER 93 Ca 0.04 0.65 0.07 0.00 0.70 0.00 0.00 55.95 57.41 2dd4 s SER 93 Cb -0.11 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 2dd4 s SER 93 CO 0.01 -0.23 -0.23 -0.63 1.20 0.00 0.00 173.24 173.36 2dd4 s ILE 94 N 1.88 2.29 -0.18 6.45 1.01 -0.03 -1.25 121.20 131.38 2dd4 s ILE 94 Ca 0.24 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2dd4 s ILE 94 Cb -0.15 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 2dd4 s ILE 94 CO 0.09 0.58 -0.03 -0.69 0.00 0.00 0.00 174.94 174.90 2dd4 s VAL 95 N -0.56 3.81 0.05 2.92 1.01 0.38 -1.98 120.40 126.02 2dd4 s VAL 95 Ca 0.08 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2dd4 s VAL 95 Cb -0.11 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2dd4 s VAL 95 CO 0.00 0.46 -0.10 -0.36 0.00 0.00 0.00 175.10 175.10 2dd4 s PHE 96 N 0.78 2.77 0.07 5.22 0.08 0.15 -0.95 117.98 126.10 2dd4 s PHE 96 Ca -0.01 -0.12 -0.28 0.00 0.12 0.00 0.00 56.93 56.63 2dd4 s PHE 96 Cb -0.14 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 2dd4 s PHE 96 CO 0.02 0.36 0.91 0.00 -0.10 0.00 0.00 175.22 176.41 2dd4 s ALA 97 N -1.06 3.26 0.33 5.36 0.00 -1.26 -1.27 121.76 127.12 2dd4 s ALA 97 Ca 0.18 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.69 2dd4 s ALA 97 Cb -0.11 -3.21 0.78 0.00 0.00 0.00 0.00 23.12 20.58 2dd4 s ALA 97 CO 0.09 -0.05 1.82 1.96 0.00 0.00 0.00 175.76 179.59 2dd4 h GLN 98 N 5.89 0.72 0.00 0.00 1.08 -1.63 -0.01 115.11 121.16 2dd4 h GLN 98 Ca -0.43 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2dd4 h GLN 98 Cb 1.21 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2dd4 h GLN 98 CO 0.72 0.48 -0.01 1.57 -0.95 0.00 0.00 178.83 180.64 2dd4 h LYS 99 N 0.74 0.00 -0.00 1.46 2.10 -1.83 -1.03 116.57 118.01 2dd4 h LYS 99 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 2dd4 h LYS 99 Cb 0.82 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.15 2dd4 h LYS 99 CO -0.28 0.01 -0.19 -0.25 -2.00 0.00 0.00 179.45 176.74 2dd4 n ASP 100 N -3.14 0.27 -0.10 7.07 8.00 -0.02 -4.04 116.55 124.58 2dd4 n ASP 100 Ca -0.02 0.01 -0.19 0.00 0.71 0.00 0.00 54.79 55.30 2dd4 n ASP 100 Cb 0.17 -0.16 -0.08 0.00 -0.02 0.00 0.00 41.12 41.04 2dd4 n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dd4 n LEU 101 N -1.38 2.04 -4.21 0.64 4.77 -0.51 -4.86 117.00 113.49 2dd4 n LEU 101 Ca 0.08 0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.82 2dd4 n LEU 101 Cb 0.32 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 2dd4 n LEU 101 CO 0.29 0.58 -0.32 0.26 -1.33 0.00 0.00 177.39 176.87 2dd4 s TRP 102 N -2.38 3.26 0.37 -1.77 0.52 -0.51 -5.00 118.94 113.43 2dd4 s TRP 102 Ca -0.28 -1.71 0.16 0.00 0.02 0.00 0.00 56.10 54.28 2dd4 s TRP 102 Cb 0.09 -2.17 1.04 0.00 -1.15 0.00 0.00 33.47 31.29 2dd4 s TRP 102 CO 0.40 -0.78 1.75 -1.35 0.02 0.00 0.00 176.95 176.99 2dd4 h PRO 103 N 8.08 0.43 -0.01 4.98 0.11 -1.87 -1.05 132.00 142.67 2dd4 h PRO 103 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2dd4 h PRO 103 Cb 1.07 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2dd4 h PRO 103 CO 0.56 0.29 -0.02 -0.85 -0.21 0.00 0.00 178.00 177.76 2dd4 n GLU 104 N -4.72 1.10 -1.68 1.05 0.00 -1.26 -4.92 120.64 110.21 2dd4 n GLU 104 Ca 0.26 -0.33 -0.45 0.00 0.00 0.00 0.00 57.16 56.65 2dd4 n GLU 104 Cb 0.85 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.77 2dd4 n GLU 104 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2dd4 n TYR 105 N -0.66 2.26 -2.49 -1.84 9.36 -0.40 -4.91 117.16 118.48 2dd4 n TYR 105 Ca 0.20 0.38 -0.41 0.00 3.32 0.00 0.00 57.90 61.39 2dd4 n TYR 105 Cb 0.22 -2.49 -0.04 0.00 -0.63 0.00 0.00 39.34 36.41 2dd4 n TYR 105 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2dd4 s SER 106 N 0.42 7.21 0.37 2.98 0.15 -1.26 -4.92 113.70 118.65 2dd4 s SER 106 Ca 0.69 2.05 0.26 0.00 0.70 0.00 0.00 55.95 59.66 2dd4 s SER 106 Cb -0.64 -2.60 1.31 0.00 -1.71 0.00 0.00 66.02 62.39 2dd4 s SER 106 CO 0.47 -0.30 1.80 0.44 1.20 0.00 0.00 173.24 176.85 2dd4 h ASP 107 N 5.67 0.00 -0.08 5.45 3.32 -1.99 -1.38 116.42 127.40 2dd4 h ASP 107 Ca -0.43 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 2dd4 h ASP 107 Cb 1.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 2dd4 h ASP 107 CO 0.75 0.00 -0.06 0.74 -1.72 0.00 0.00 179.24 178.95 2dd4 h THR 108 N 0.00 1.17 -1.92 0.35 2.02 -2.01 -2.79 112.91 109.73 2dd4 h THR 108 Ca 0.00 -0.71 -0.69 0.00 0.77 0.00 0.00 66.41 65.78 2dd4 h THR 108 Cb 0.15 1.08 -0.34 0.00 -1.74 0.00 0.00 68.15 67.29 2dd4 h THR 108 CO 0.00 0.23 0.19 0.49 0.37 0.00 0.00 175.52 176.80 2dd4 n PHE 109 N -4.30 3.27 0.29 3.16 3.72 -0.52 -4.84 117.46 118.23 2dd4 n PHE 109 Ca 0.00 -2.89 0.11 0.00 -0.05 0.00 0.00 57.45 54.62 2dd4 n PHE 109 Cb 0.24 -0.70 0.50 0.00 -0.94 0.00 0.00 39.48 38.57 2dd4 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd4 n ALA 110 N -0.40 1.38 1.06 4.37 0.00 -1.05 -2.78 120.51 123.09 2dd4 n ALA 110 Ca 0.44 0.12 0.11 0.00 0.00 0.00 0.00 53.44 54.12 2dd4 n ALA 110 Cb 0.41 -1.33 0.11 0.00 0.00 0.00 0.00 19.45 18.63 2dd4 n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2dd4 n ASN 111 N -2.17 1.30 -4.77 0.00 5.03 -1.26 -4.93 115.26 108.46 2dd4 n ASN 111 Ca 0.01 -1.04 -0.40 0.00 0.87 0.00 0.00 54.58 54.02 2dd4 n ASN 111 Cb 0.14 0.48 0.00 0.00 -1.02 0.00 0.00 39.78 39.38 2dd4 n ASN 111 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2dd4 s ASP 112 N -2.69 6.22 0.26 6.41 1.01 -1.12 -4.96 116.67 121.81 2dd4 s ASP 112 Ca 0.16 2.76 0.02 0.00 0.71 0.00 0.00 52.55 56.20 2dd4 s ASP 112 Cb 0.18 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 2dd4 s ASP 112 CO 0.65 -0.92 0.17 0.42 0.21 0.00 0.00 175.17 175.69 2dd4 s THR 113 N -1.23 0.12 -0.02 -1.27 -4.23 -1.26 -1.66 115.64 106.08 2dd4 s THR 113 Ca 0.57 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2dd4 s THR 113 Cb -0.40 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 70.95 2dd4 s THR 113 CO 0.52 0.00 -0.00 -0.22 -0.54 0.00 0.00 174.62 174.38 2dd4 s LEU 114 N -3.27 1.29 -0.06 4.79 0.20 -0.40 -4.81 118.68 116.42 2dd4 s LEU 114 Ca 0.39 -0.02 0.06 0.00 0.69 0.00 0.00 54.13 55.24 2dd4 s LEU 114 Cb 0.06 -0.19 -0.01 0.00 -0.43 0.00 0.00 46.19 45.62 2dd4 s LEU 114 CO 0.17 -0.08 -0.24 -0.70 -0.29 0.00 0.00 176.35 175.21 2dd4 s GLU 115 N 0.85 2.55 0.21 1.98 2.12 -1.26 -0.67 118.70 124.48 2dd4 s GLU 115 Ca -0.08 -0.87 -0.17 0.00 0.36 0.00 0.00 54.97 54.21 2dd4 s GLU 115 Cb -0.12 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.18 2dd4 s GLU 115 CO -0.02 0.33 0.53 -0.08 -0.54 0.00 0.00 175.26 175.49 2dd4 s THR 116 N -0.06 0.02 -0.12 -1.70 -1.32 -0.84 -4.97 115.64 106.65 2dd4 s THR 116 Ca -0.06 -0.94 -0.05 0.00 -1.21 0.00 0.00 61.69 59.43 2dd4 s THR 116 Cb -0.14 -1.76 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 2dd4 s THR 116 CO 0.04 -0.09 0.06 -1.61 -2.21 0.00 0.00 174.62 170.81 2dd4 s GLU 117 N -3.91 3.34 -0.02 7.08 2.02 -1.26 -0.85 118.70 125.10 2dd4 s GLU 117 Ca 0.12 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2dd4 s GLU 117 Cb -0.01 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.22 2dd4 s GLU 117 CO 0.01 0.63 -0.05 0.42 0.02 0.00 0.00 175.26 176.29 2dd4 s ILE 118 N -0.65 0.47 0.52 -1.63 1.09 -0.42 -4.92 121.20 115.66 2dd4 s ILE 118 Ca 0.11 -0.17 -0.19 0.00 -1.10 0.00 0.00 60.65 59.31 2dd4 s ILE 118 Cb -0.12 -0.46 -0.07 0.00 -1.06 0.00 0.00 42.46 40.75 2dd4 s ILE 118 CO 0.02 0.17 1.04 -2.16 -0.10 0.00 0.00 174.94 173.92 2dd4 s PRO 119 N 0.41 3.67 0.39 2.79 0.04 -1.26 -1.57 135.00 139.47 2dd4 s PRO 119 Ca -0.05 1.31 0.23 0.00 0.04 0.00 0.00 61.00 62.53 2dd4 s PRO 119 Cb -0.09 -2.08 1.33 0.00 0.04 0.00 0.00 34.50 33.71 2dd4 s PRO 119 CO -0.00 -0.53 1.61 1.49 0.04 0.00 0.00 177.00 179.60 2dd4 h GLU 120 N 1.23 0.09 -0.19 4.56 4.81 -1.30 -2.10 114.58 121.68 2dd4 h GLU 120 Ca -0.49 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2dd4 h GLU 120 Cb 1.22 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2dd4 h GLU 120 CO 0.59 0.06 0.25 0.07 -0.73 0.00 0.00 179.01 179.25 2dd4 h ARG 121 N 0.09 0.00 -0.09 1.92 0.11 -1.92 -0.97 114.38 113.52 2dd4 h ARG 121 Ca 0.82 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.90 2dd4 h ARG 121 Cb 2.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.36 2dd4 h ARG 121 CO -0.60 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.13 2dd4 n TYR 122 N -3.62 0.11 -4.24 4.08 4.01 -0.79 -4.91 117.16 111.79 2dd4 n TYR 122 Ca 0.02 -0.05 -0.34 0.00 -0.16 0.00 0.00 57.90 57.37 2dd4 n TYR 122 Cb 0.38 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.32 2dd4 n TYR 122 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2dd4 s LEU 123 N -1.83 3.72 -0.04 7.72 1.43 -0.37 -0.19 118.68 129.12 2dd4 s LEU 123 Ca 0.35 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 2dd4 s LEU 123 Cb 0.20 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2dd4 s LEU 123 CO 0.31 0.33 0.11 -1.83 0.23 0.00 0.00 176.35 175.50 2dd4 s GLU 124 N -1.27 0.17 0.28 1.70 -1.05 -1.09 -4.94 118.70 112.49 2dd4 s GLU 124 Ca 0.17 0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.79 2dd4 s GLU 124 Cb -0.12 0.08 -0.14 0.00 -0.44 0.00 0.00 34.13 33.52 2dd4 s GLU 124 CO 0.07 -0.03 1.17 0.36 0.95 0.00 0.00 175.26 177.79 2dd4 n LYS 125 N 2.84 1.64 0.00 -4.83 -0.00 -1.26 -1.39 118.16 115.16 2dd4 n LYS 125 Ca -0.14 0.58 0.15 0.00 -0.00 0.00 0.00 58.31 58.90 2dd4 n LYS 125 Cb 0.59 -2.07 0.78 0.00 -0.00 0.00 0.00 35.03 34.33 2dd4 n LYS 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40