#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 s PRO 8 N 0.00 3.05 -0.12 1.97 0.02 -1.26 -5.04 135.00 133.63 2dd4 s PRO 8 Ca 0.00 1.67 0.02 0.00 0.02 0.00 0.00 61.00 62.71 2dd4 s PRO 8 Cb 0.00 -1.96 -0.00 0.00 0.02 0.00 0.00 34.50 32.56 2dd4 s PRO 8 CO 0.00 -1.10 -0.19 0.08 -0.33 0.00 0.00 177.00 175.46 2dd4 s VAL 9 N -1.81 2.45 -0.19 3.83 1.01 -1.26 -5.11 120.40 119.32 2dd4 s VAL 9 Ca 0.74 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2dd4 s VAL 9 Cb -0.26 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2dd4 s VAL 9 CO 0.32 0.54 0.12 0.26 0.00 0.00 0.00 175.10 176.35 2dd4 s TRP 10 N 0.45 3.41 -0.66 5.22 0.52 -1.26 -5.04 118.94 121.58 2dd4 s TRP 10 Ca -0.14 0.32 -0.27 0.00 0.02 0.00 0.00 56.10 56.03 2dd4 s TRP 10 Cb -0.17 -2.12 0.03 0.00 -1.15 0.00 0.00 33.47 30.06 2dd4 s TRP 10 CO 0.06 0.33 1.29 0.34 0.02 0.00 0.00 176.95 178.99 2dd4 s ASP 11 N 0.18 6.22 0.00 2.95 -1.08 -1.26 -4.85 116.67 118.82 2dd4 s ASP 11 Ca 0.08 -0.15 0.23 0.00 -0.52 0.00 0.00 52.55 52.20 2dd4 s ASP 11 Cb -0.11 -2.56 0.77 0.00 -1.46 0.00 0.00 42.92 39.57 2dd4 s ASP 11 CO -0.01 -1.73 1.57 0.54 0.52 0.00 0.00 175.17 176.07 2dd4 n ARG 12 N 8.97 1.80 -0.00 4.34 1.74 -1.26 -4.01 116.66 128.24 2dd4 n ARG 12 Ca 0.07 -1.19 0.04 0.00 -0.77 0.00 0.00 57.85 56.00 2dd4 n ARG 12 Cb 0.49 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.42 0.00 0.05 0.55 -2.24 -1.26 -4.75 114.28 107.05 2dd4 n THR 13 Ca 0.17 -0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2dd4 n THR 13 Cb 0.37 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.84 -0.32 4.78 -0.00 -1.99 -1.52 115.15 115.25 2dd4 h HIS 14 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2dd4 h HIS 14 Cb 0.28 0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 28.03 2dd4 h HIS 14 CO 0.00 -0.40 0.14 1.25 -0.00 0.00 0.00 177.93 178.92 2dd4 h HIS 15 N -0.45 0.25 -0.42 5.26 6.17 -1.85 -1.96 115.15 122.15 2dd4 h HIS 15 Ca 0.06 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.15 2dd4 h HIS 15 Cb 0.54 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 30.39 2dd4 h HIS 15 CO -0.34 0.12 0.20 0.00 0.71 0.00 0.00 177.93 178.63 2dd4 h ALA 16 N 1.19 0.53 -0.75 5.26 0.00 -1.84 0.16 119.26 123.81 2dd4 h ALA 16 Ca 0.14 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dd4 h ALA 16 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2dd4 h ALA 16 CO -0.12 0.09 0.50 0.87 0.00 0.00 0.00 179.25 180.59 2dd4 h LYS 17 N 0.53 0.96 0.08 0.00 1.57 -1.08 0.02 116.57 118.65 2dd4 h LYS 17 Ca 0.14 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.59 2dd4 h LYS 17 Cb 0.11 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.22 2dd4 h LYS 17 CO -0.02 0.64 -1.14 1.98 -0.57 0.00 0.00 179.45 180.34 2dd4 h MET 18 N 0.99 0.50 0.00 3.15 4.05 -1.00 -3.38 114.93 119.24 2dd4 h MET 18 Ca 0.28 -0.65 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 2dd4 h MET 18 Cb -0.08 0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2dd4 h MET 18 CO -0.07 1.27 -1.69 0.00 0.23 0.00 0.00 176.91 176.65 2dd4 n ALA 19 N -2.61 3.41 -1.66 0.39 0.00 0.01 -4.85 120.51 115.20 2dd4 n ALA 19 Ca -0.10 -0.54 -0.47 0.00 0.00 0.00 0.00 53.44 52.32 2dd4 n ALA 19 Cb 0.94 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.03 0.06 -0.81 0.00 -1.04 -0.03 -0.16 114.28 110.28 2dd4 n THR 20 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2dd4 n THR 20 Cb 0.50 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 3.44 0.84 1.06 3.41 0.00 -1.26 -4.72 105.19 107.95 2dd4 n GLY 21 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 0.11 0.00 -0.61 5.41 -0.03 -5.16 119.36 117.07 2dd4 n ILE 22 Ca 0.00 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2dd4 n ILE 22 Cb 0.00 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 2dd4 n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2dd4 n GLY 23 N 2.96 1.71 3.02 7.39 0.00 0.77 -4.67 105.19 116.37 2dd4 n GLY 23 Ca 0.00 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 2.02 0.00 1.61 -1.08 -1.26 -0.80 116.67 117.16 2dd4 s ASP 24 Ca 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 2dd4 s ASP 24 Cb 0.00 -0.90 0.27 0.00 -1.46 0.00 0.00 42.92 40.83 2dd4 s ASP 24 CO 0.00 0.01 1.20 -0.81 0.52 0.00 0.00 175.17 176.09 2dd4 n PRO 25 N 4.06 1.33 -0.18 4.34 -0.04 -1.26 -4.95 135.00 138.28 2dd4 n PRO 25 Ca -0.20 -0.50 0.20 0.00 -0.04 0.00 0.00 63.50 62.95 2dd4 n PRO 25 Cb 0.51 -1.15 0.56 0.00 -0.04 0.00 0.00 33.50 33.39 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 0.85 0.29 0.00 0.54 7.50 -1.81 -0.70 115.11 121.78 2dd4 h GLN 26 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2dd4 h GLN 26 Cb 0.19 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.66 2dd4 h GLN 26 CO 0.00 0.19 0.00 0.00 -1.50 0.00 0.00 178.83 177.52 2dd4 n PHE 28 N -1.57 0.00 -1.60 0.00 3.72 -0.27 -5.00 117.46 112.74 2dd4 n PHE 28 Ca 0.02 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.94 2dd4 n PHE 28 Cb 0.12 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.21 1.33 0.00 -1.08 4.81 -0.90 -1.46 118.16 121.07 2dd4 n LYS 29 Ca 0.08 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2dd4 n LYS 29 Cb 0.41 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.42 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 2.20 2.63 0.04 3.14 0.00 -1.26 -4.88 105.19 107.06 2dd4 n GLY 30 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2dd4 n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dd4 n MET 31 N -2.00 0.10 0.02 1.61 2.81 -0.54 -3.54 117.12 115.58 2dd4 n MET 31 Ca 0.00 0.07 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 2dd4 n MET 31 Cb 0.00 -1.61 0.19 0.00 -0.71 0.00 0.00 33.22 31.09 2dd4 n MET 31 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dd4 n ALA 32 N -1.60 3.39 -0.11 3.04 0.00 -1.26 -4.58 120.51 119.39 2dd4 n ALA 32 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2dd4 n ALA 32 Cb 0.37 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2dd4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dd4 n GLY 33 N 1.44 -0.29 3.73 0.00 0.00 -1.23 -4.80 105.19 104.05 2dd4 n GLY 33 Ca 0.04 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2dd4 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dd4 s LYS 34 N 0.00 4.58 0.33 1.61 1.02 -1.26 -4.98 119.74 121.04 2dd4 s LYS 34 Ca 0.00 1.69 -0.28 0.00 0.02 0.00 0.00 55.97 57.41 2dd4 s LYS 34 Cb 0.00 -3.30 -0.09 0.00 -0.52 0.00 0.00 37.83 33.92 2dd4 s LYS 34 CO 0.00 0.04 1.13 -1.54 -0.92 0.00 0.00 175.35 174.07 2dd4 s SER 35 N 0.07 6.96 0.32 2.83 1.04 -1.26 -4.94 113.70 118.72 2dd4 s SER 35 Ca 0.50 2.31 0.17 0.00 0.48 0.00 0.00 55.95 59.41 2dd4 s SER 35 Cb -0.29 -2.62 0.31 0.00 0.10 0.00 0.00 66.02 63.52 2dd4 s SER 35 CO 0.34 -0.36 1.55 0.50 0.98 0.00 0.00 173.24 176.25 2dd4 h LYS 36 N 3.30 0.00 -5.25 4.02 3.64 -1.96 -3.46 116.57 116.85 2dd4 h LYS 36 Ca -0.48 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.45 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 0.65 0.45 -0.64 -0.06 -2.27 0.00 0.00 179.45 177.59 2dd4 s PHE 37 N -3.19 1.85 0.14 1.91 0.08 -1.26 -5.12 117.98 112.38 2dd4 s PHE 37 Ca 0.03 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.19 2dd4 s PHE 37 Cb 0.09 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2dd4 s PHE 37 CO 0.72 0.05 0.01 -0.80 -0.10 0.00 0.00 175.22 175.10 2dd4 s ASN 38 N -3.42 0.83 0.24 1.36 -0.87 -1.26 -5.08 114.94 106.74 2dd4 s ASN 38 Ca 0.33 -1.15 -0.30 0.00 -1.57 0.00 0.00 52.86 50.17 2dd4 s ASN 38 Cb 0.07 0.18 -0.14 0.00 -0.02 0.00 0.00 41.25 41.34 2dd4 s ASN 38 CO 0.13 -0.61 1.17 0.52 -2.57 0.00 0.00 177.10 175.74 2dd4 n VAL 39 N -0.13 1.38 0.00 1.60 0.31 -1.26 -1.40 118.33 118.83 2dd4 n VAL 39 Ca -0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2dd4 n VAL 39 Cb 0.63 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 1.67 3.32 3.77 2.92 0.00 0.11 -5.00 105.19 111.98 2dd4 n GLY 40 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.56 6.15 -0.22 1.61 1.01 -0.49 -4.69 116.67 119.48 2dd4 s ASP 41 Ca 0.00 2.63 -0.14 0.00 0.71 0.00 0.00 52.55 55.75 2dd4 s ASP 41 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2dd4 s ASP 41 CO 0.00 -0.96 0.31 -0.13 0.21 0.00 0.00 175.17 174.61 2dd4 s ARG 42 N -2.39 4.13 0.07 8.23 1.81 -1.26 -1.15 118.95 128.39 2dd4 s ARG 42 Ca 0.60 0.02 0.04 0.00 -1.72 0.00 0.00 55.73 54.67 2dd4 s ARG 42 Cb -0.37 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 2dd4 s ARG 42 CO 0.47 -0.02 -0.13 0.14 -0.68 0.00 0.00 175.30 175.08 2dd4 s VAL 43 N 1.27 1.00 0.01 3.52 -7.23 -0.26 -0.42 120.40 118.30 2dd4 s VAL 43 Ca 0.15 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2dd4 s VAL 43 Cb -0.14 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2dd4 s VAL 43 CO 0.07 -0.29 -0.00 -0.60 -0.31 0.00 0.00 175.10 173.96 2dd4 s ARG 44 N -1.84 2.74 -0.28 4.82 3.52 -0.17 -0.50 118.95 127.24 2dd4 s ARG 44 Ca -0.02 -0.65 -0.21 0.00 -0.13 0.00 0.00 55.73 54.71 2dd4 s ARG 44 Cb -0.09 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 2dd4 s ARG 44 CO 0.02 0.61 0.69 0.42 -0.81 0.00 0.00 175.30 176.23 2dd4 s ILE 45 N -1.12 4.91 0.23 4.11 -1.09 -0.20 -2.43 121.20 125.61 2dd4 s ILE 45 Ca 0.20 1.10 -0.30 0.00 -2.23 0.00 0.00 60.65 59.43 2dd4 s ILE 45 Cb -0.12 -4.03 -0.09 0.00 -1.58 0.00 0.00 42.46 36.65 2dd4 s ILE 45 CO 0.11 -0.10 1.23 -0.54 -1.23 0.00 0.00 174.94 174.41 2dd4 s LYS 46 N 2.68 4.47 -1.33 2.79 1.02 0.87 -0.25 119.74 129.99 2dd4 s LYS 46 Ca 0.28 1.97 -0.10 0.00 0.02 0.00 0.00 55.97 58.14 2dd4 s LYS 46 Cb -0.15 -3.19 0.13 0.00 -0.52 0.00 0.00 37.83 34.10 2dd4 s LYS 46 CO 0.10 -0.09 2.05 -3.47 -0.92 0.00 0.00 175.35 173.02 2dd4 n ASP 47 N 2.01 5.35 -4.76 2.83 2.03 -1.26 -4.77 116.55 117.98 2dd4 n ASP 47 Ca 0.03 -3.04 -0.33 0.00 0.52 0.00 0.00 54.79 51.97 2dd4 n ASP 47 Cb 0.44 -1.50 0.06 0.00 -0.72 0.00 0.00 41.12 39.39 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 0.07 3.36 0.40 -2.67 1.43 -1.26 -4.94 118.68 115.08 2dd4 s LEU 48 Ca 0.44 2.08 -0.26 0.00 -1.03 0.00 0.00 54.13 55.36 2dd4 s LEU 48 Cb 0.12 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 2dd4 s LEU 48 CO -0.03 -1.80 1.27 -2.65 0.23 0.00 0.00 176.35 173.37 2dd4 n PRO 49 N -2.52 1.96 -0.16 1.29 -0.02 -1.26 -4.92 135.00 129.37 2dd4 n PRO 49 Ca 0.11 0.70 0.07 0.00 -2.02 0.00 0.00 63.50 62.35 2dd4 n PRO 49 Cb 0.52 -2.36 0.14 0.00 -0.02 0.00 0.00 33.50 31.77 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 0.34 2.72 -4.62 2.55 5.75 -1.26 -5.02 116.55 117.00 2dd4 n ASP 50 Ca 0.06 -2.65 -0.49 0.00 -0.01 0.00 0.00 54.79 51.71 2dd4 n ASP 50 Cb 0.39 -0.32 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.70 2.22 0.00 -2.12 7.94 -1.26 -2.85 117.00 120.22 2dd4 n LEU 51 Ca 0.13 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2dd4 n LEU 51 Cb 0.57 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.23 2dd4 n LEU 51 CO 0.05 -0.82 0.00 0.49 -1.11 0.00 0.00 177.39 176.00 2dd4 n PHE 52 N 2.44 0.00 -3.58 1.96 3.72 -1.26 -4.84 117.46 115.90 2dd4 n PHE 52 Ca 0.16 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2dd4 n PHE 52 Cb 0.25 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2dd4 n PHE 52 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2dd4 s TYR 53 N 0.00 -0.42 -0.18 1.38 5.04 -1.13 -5.17 117.35 116.87 2dd4 s TYR 53 Ca 0.00 0.77 -0.31 0.00 -2.44 0.00 0.00 57.07 55.09 2dd4 s TYR 53 Cb 0.00 0.43 0.14 0.00 0.35 0.00 0.00 41.96 42.88 2dd4 s TYR 53 CO 0.00 -0.35 1.13 -0.08 -1.34 0.00 0.00 175.55 174.90 2dd4 s THR 54 N -0.91 0.00 -0.07 4.34 -1.32 -1.26 -4.81 115.64 111.60 2dd4 s THR 54 Ca -0.02 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.56 2dd4 s THR 54 Cb -0.01 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.14 2dd4 s THR 54 CO 0.01 0.00 1.05 0.54 -2.21 0.00 0.00 174.62 174.01 2dd4 n ARG 55 N 0.36 1.31 -3.54 7.08 1.74 -1.26 -4.89 116.66 117.47 2dd4 n ARG 55 Ca -0.05 -1.93 -0.41 0.00 -0.77 0.00 0.00 57.85 54.69 2dd4 n ARG 55 Cb 0.59 -1.15 -0.08 0.00 -1.02 0.00 0.00 32.46 30.80 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 -1.77 4.37 0.36 0.55 2.01 -1.26 -5.00 115.64 114.90 2dd4 s THR 56 Ca 0.17 -2.04 -0.25 0.00 0.31 0.00 0.00 61.69 59.89 2dd4 s THR 56 Cb 0.15 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.69 2dd4 s THR 56 CO 0.02 -0.83 0.72 0.23 -0.69 0.00 0.00 174.62 174.07 2dd4 n MET 57 N 4.60 0.80 -0.09 4.92 2.81 -1.26 -4.88 117.12 124.02 2dd4 n MET 57 Ca -0.03 0.29 0.05 0.00 -1.81 0.00 0.00 57.70 56.19 2dd4 n MET 57 Cb 0.41 -1.60 0.38 0.00 -0.71 0.00 0.00 33.22 31.71 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 1.22 1.08 0.00 2.03 2.02 -1.99 -2.06 112.91 115.22 2dd4 h THR 58 Ca -0.39 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2dd4 h THR 58 Cb 1.38 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2dd4 h THR 58 CO 0.55 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.56 2dd4 n TYR 59 N -4.46 0.00 0.58 3.16 0.18 -1.26 -2.09 117.16 113.26 2dd4 n TYR 59 Ca 0.06 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.95 2dd4 n TYR 59 Cb 0.12 -0.50 -0.14 0.00 -0.38 0.00 0.00 39.34 38.44 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 -1.50 0.00 -1.69 -3.48 -2.24 -0.77 -4.91 114.28 99.70 2dd4 n THR 60 Ca 0.01 -0.21 -0.44 0.00 -2.27 0.00 0.00 64.05 61.14 2dd4 n THR 60 Cb 0.07 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -1.82 2.54 -0.67 -0.78 5.12 -0.89 -1.76 116.66 118.40 2dd4 n ARG 61 Ca 0.01 0.92 0.00 0.00 -1.93 0.00 0.00 57.85 56.85 2dd4 n ARG 61 Cb 0.43 -2.77 0.00 0.00 -1.16 0.00 0.00 32.46 28.96 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 4.03 1.48 3.89 -0.13 0.00 0.65 -4.98 105.19 110.13 2dd4 n GLY 62 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.60 3.45 -0.09 4.61 0.00 -0.72 -4.71 121.76 120.70 2dd4 s ALA 63 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2dd4 s ALA 63 Cb 0.00 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2dd4 s ALA 63 CO 0.00 0.01 -0.08 0.99 0.00 0.00 0.00 175.76 176.68 2dd4 s THR 64 N -2.34 3.55 0.34 0.00 2.01 -1.26 -1.03 115.64 116.91 2dd4 s THR 64 Ca 0.48 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.03 2dd4 s THR 64 Cb -0.10 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2dd4 s THR 64 CO 0.33 0.57 0.30 -0.83 -0.69 0.00 0.00 174.62 174.30 2dd4 s GLY 65 N -0.40 2.35 -0.12 4.40 0.00 0.35 -4.66 107.32 109.24 2dd4 s GLY 65 Ca 0.05 -2.07 0.00 0.00 0.00 0.00 0.00 44.72 42.70 2dd4 s GLY 65 CO 0.02 -1.45 -0.13 -1.59 0.00 0.00 0.00 173.10 169.96 2dd4 s THR 66 N -3.37 3.12 -0.10 0.90 2.01 -0.32 -1.10 115.64 116.78 2dd4 s THR 66 Ca 0.40 -0.65 -0.30 0.00 0.31 0.00 0.00 61.69 61.46 2dd4 s THR 66 Cb 0.02 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2dd4 s THR 66 CO 0.28 0.53 1.24 -0.63 -0.69 0.00 0.00 174.62 175.36 2dd4 s ILE 67 N 0.17 4.23 -0.75 1.82 1.01 -0.30 -0.70 121.20 126.68 2dd4 s ILE 67 Ca -0.07 1.53 0.12 0.00 0.00 0.00 0.00 60.65 62.24 2dd4 s ILE 67 Cb -0.15 -3.99 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 2dd4 s ILE 67 CO 0.05 -0.06 0.58 1.33 0.00 0.00 0.00 174.94 176.84 2dd4 n VAL 68 N 4.94 0.00 -3.62 2.92 0.24 -0.29 0.06 118.33 122.58 2dd4 n VAL 68 Ca 0.12 -0.26 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 2dd4 n VAL 68 Cb 0.45 1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.98 0.33 -0.61 7.34 3.52 -1.22 -4.89 118.95 121.44 2dd4 s ARG 69 Ca 0.06 0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.69 2dd4 s ARG 69 Cb 0.09 0.16 0.15 0.00 -1.56 0.00 0.00 34.95 33.79 2dd4 s ARG 69 CO 0.44 -0.08 0.58 -0.51 -0.81 0.00 0.00 175.30 174.92 2dd4 s LEU 70 N -0.60 6.23 0.16 -0.88 1.02 -1.26 -0.89 118.68 122.46 2dd4 s LEU 70 Ca 0.04 -1.95 -0.10 0.00 0.02 0.00 0.00 54.13 52.14 2dd4 s LEU 70 Cb -0.02 -2.22 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 2dd4 s LEU 70 CO -0.06 -0.82 1.50 -0.37 0.02 0.00 0.00 176.35 176.62 2dd4 h VAL 71 N 5.66 1.27 0.00 -1.59 -1.51 -1.82 -3.49 116.25 114.76 2dd4 h VAL 71 Ca -0.21 -1.53 0.00 0.00 -1.23 0.00 0.00 66.70 63.73 2dd4 h VAL 71 Cb 1.09 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 2dd4 h VAL 71 CO 0.99 0.51 0.00 0.00 -1.23 0.00 0.00 177.57 177.84 2dd4 n TYR 72 N -4.06 0.00 -4.93 5.19 0.18 -1.25 -5.05 117.16 107.23 2dd4 n TYR 72 Ca -0.02 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.45 2dd4 n TYR 72 Cb 0.53 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.35 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 -1.90 2.15 -0.12 -3.48 2.02 -1.26 -1.27 118.70 114.84 2dd4 s GLU 73 Ca 0.00 -0.91 -0.33 0.00 0.02 0.00 0.00 54.97 53.75 2dd4 s GLU 73 Cb 0.00 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.19 2dd4 s GLU 73 CO 0.00 0.56 1.08 0.45 0.02 0.00 0.00 175.26 177.38 2dd4 s SER 74 N -1.00 -0.23 0.58 -0.19 0.15 -0.71 -4.51 113.70 107.79 2dd4 s SER 74 Ca 0.12 0.00 -0.19 0.00 0.70 0.00 0.00 55.95 56.59 2dd4 s SER 74 Cb -0.10 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2dd4 s SER 74 CO 0.02 -0.38 1.16 -2.84 1.20 0.00 0.00 173.24 172.40 2dd4 s PRO 75 N -2.68 3.14 0.49 5.44 0.02 -1.26 -1.31 135.00 138.84 2dd4 s PRO 75 Ca 0.08 1.68 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 2dd4 s PRO 75 Cb -0.01 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 2dd4 s PRO 75 CO -0.06 -1.04 1.19 0.00 -0.33 0.00 0.00 177.00 176.76 2dd4 s ALA 76 N -1.75 2.89 0.49 -1.55 0.00 -1.26 -4.76 121.76 115.82 2dd4 s ALA 76 Ca 0.74 0.99 0.15 0.00 0.00 0.00 0.00 51.96 53.84 2dd4 s ALA 76 Cb -0.26 -3.41 1.18 0.00 0.00 0.00 0.00 23.12 20.62 2dd4 s ALA 76 CO 0.31 -0.82 2.11 0.00 0.00 0.00 0.00 175.76 177.36 2dd4 h ALA 77 N 1.78 1.98 -0.01 0.00 0.00 -1.98 0.12 119.26 121.16 2dd4 h ALA 77 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dd4 h ALA 77 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dd4 h ALA 77 CO 0.59 -0.01 0.01 0.93 0.00 0.00 0.00 179.25 180.77 2dd4 h GLU 78 N 0.15 0.00 0.00 0.00 3.07 -1.90 -0.92 114.58 114.98 2dd4 h GLU 78 Ca 0.07 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.54 2dd4 h GLU 78 Cb 0.11 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 27.96 2dd4 h GLU 78 CO -0.01 0.00 -2.40 -0.25 -1.40 0.00 0.00 179.01 174.94 2dd4 n ASP 79 N -3.56 1.97 -0.37 1.42 8.00 0.23 -4.51 116.55 119.72 2dd4 n ASP 79 Ca -0.03 0.10 0.01 0.00 0.71 0.00 0.00 54.79 55.58 2dd4 n ASP 79 Cb 0.09 -0.57 0.15 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.48 1.18 0.00 -1.24 4.81 -0.86 0.00 114.58 118.00 2dd4 h GLU 80 Ca -0.60 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 2dd4 h GLU 80 Cb 1.70 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2dd4 h GLU 80 CO -0.25 0.78 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2dd4 n ALA 81 N -2.37 1.41 -0.84 2.92 0.00 -0.36 -1.69 120.51 119.58 2dd4 n ALA 81 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.65 2dd4 n ALA 81 Cb 0.13 -1.17 0.13 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 -1.60 0.13 -1.11 0.00 3.72 -0.68 -4.98 117.46 112.93 2dd4 n PHE 82 Ca 0.02 -0.88 -0.04 0.00 -0.05 0.00 0.00 57.45 56.50 2dd4 n PHE 82 Cb 0.11 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.49 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 -1.10 0.69 3.18 1.37 0.00 -0.68 -5.01 105.19 103.63 2dd4 n GLY 83 Ca 0.14 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.87 5.43 -0.06 1.61 0.02 -0.10 -4.91 114.94 114.06 2dd4 s ASN 84 Ca 0.00 -1.86 0.09 0.00 -1.02 0.00 0.00 52.86 50.08 2dd4 s ASN 84 Cb 0.00 -1.90 0.21 0.00 0.02 0.00 0.00 41.25 39.58 2dd4 s ASN 84 CO 0.00 -0.57 1.15 -0.62 0.02 0.00 0.00 177.10 177.09 2dd4 n GLU 85 N 4.74 2.56 0.26 -0.60 1.02 -1.26 -3.03 120.64 124.33 2dd4 n GLU 85 Ca -0.06 -2.07 0.17 0.00 -0.02 0.00 0.00 57.16 55.18 2dd4 n GLU 85 Cb 0.42 -1.30 0.65 0.00 -0.02 0.00 0.00 31.44 31.18 2dd4 n GLU 85 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dd4 h GLU 86 N 0.73 0.00 -5.32 3.49 9.09 -1.97 -3.42 114.58 117.18 2dd4 h GLU 86 Ca 0.00 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.76 2dd4 h GLU 86 Cb 0.81 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 27.64 2dd4 h GLU 86 CO 0.03 0.00 -0.75 -0.80 0.05 0.00 0.00 179.01 177.54 2dd4 s ASN 87 N -5.59 4.09 -0.01 3.06 0.02 -1.26 -5.11 114.94 110.14 2dd4 s ASN 87 Ca 0.02 -0.31 0.08 0.00 -1.02 0.00 0.00 52.86 51.63 2dd4 s ASN 87 Cb 0.09 -1.63 -0.02 0.00 0.02 0.00 0.00 41.25 39.71 2dd4 s ASN 87 CO 0.54 0.17 -0.25 -0.69 0.02 0.00 0.00 177.10 176.88 2dd4 s VAL 88 N 0.35 1.98 0.15 1.60 1.01 -1.26 -4.13 120.40 120.10 2dd4 s VAL 88 Ca -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2dd4 s VAL 88 Cb -0.16 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2dd4 s VAL 88 CO 0.05 0.54 0.06 -1.83 0.00 0.00 0.00 175.10 173.92 2dd4 s GLU 89 N -0.65 1.01 0.32 2.72 -1.05 -0.43 -4.22 118.70 116.41 2dd4 s GLU 89 Ca 0.10 -1.50 -0.27 0.00 -0.15 0.00 0.00 54.97 53.15 2dd4 s GLU 89 Cb -0.10 0.17 -0.09 0.00 -0.44 0.00 0.00 34.13 33.67 2dd4 s GLU 89 CO -0.01 -0.27 1.06 -1.58 0.95 0.00 0.00 175.26 175.42 2dd4 s TRP 90 N -4.01 3.51 -0.07 4.83 0.52 -1.26 -1.74 118.94 120.72 2dd4 s TRP 90 Ca 0.27 1.70 0.01 0.00 0.02 0.00 0.00 56.10 58.11 2dd4 s TRP 90 Cb 0.07 -3.19 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 2dd4 s TRP 90 CO 0.04 -0.47 -0.09 -0.06 0.02 0.00 0.00 176.95 176.40 2dd4 s PHE 91 N -1.35 2.88 0.03 -1.98 0.40 -0.39 -0.66 117.98 116.90 2dd4 s PHE 91 Ca 0.49 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.81 2dd4 s PHE 91 Cb -0.28 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 2dd4 s PHE 91 CO 0.35 0.24 -0.21 0.71 0.70 0.00 0.00 175.22 177.01 2dd4 s TYR 92 N -0.66 1.85 -0.25 0.36 2.02 -0.70 -2.37 117.35 117.61 2dd4 s TYR 92 Ca 0.10 -0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 2dd4 s TYR 92 Cb -0.11 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.29 2dd4 s TYR 92 CO 0.01 0.07 0.36 0.45 -1.57 0.00 0.00 175.55 174.87 2dd4 s SER 93 N -1.03 6.29 -0.05 2.29 0.15 -0.06 -1.17 113.70 120.12 2dd4 s SER 93 Ca 0.08 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.10 2dd4 s SER 93 Cb -0.09 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 2dd4 s SER 93 CO 0.01 -0.12 -0.16 -0.63 1.20 0.00 0.00 173.24 173.54 2dd4 s ILE 94 N 1.74 2.91 -0.19 6.45 1.09 0.21 -1.14 121.20 132.28 2dd4 s ILE 94 Ca 0.15 -0.78 -0.06 0.00 -1.10 0.00 0.00 60.65 58.87 2dd4 s ILE 94 Cb -0.15 -2.13 -0.03 0.00 -1.06 0.00 0.00 42.46 39.09 2dd4 s ILE 94 CO 0.09 0.59 0.01 -0.69 -0.10 0.00 0.00 174.94 174.84 2dd4 s VAL 95 N -0.71 4.20 0.01 2.92 1.01 0.12 -1.86 120.40 126.09 2dd4 s VAL 95 Ca 0.11 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2dd4 s VAL 95 Cb -0.11 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2dd4 s VAL 95 CO 0.00 0.45 -0.12 -0.36 0.00 0.00 0.00 175.10 175.07 2dd4 s PHE 96 N 0.70 2.74 0.10 5.22 0.08 0.62 -1.17 117.98 126.27 2dd4 s PHE 96 Ca 0.01 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 2dd4 s PHE 96 Cb -0.14 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 2dd4 s PHE 96 CO 0.02 0.30 0.97 0.00 -0.10 0.00 0.00 175.22 176.41 2dd4 s ALA 97 N -0.93 3.24 0.35 5.36 0.00 -1.26 -0.85 121.76 127.66 2dd4 s ALA 97 Ca 0.15 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2dd4 s ALA 97 Cb -0.11 -3.29 0.77 0.00 0.00 0.00 0.00 23.12 20.49 2dd4 s ALA 97 CO 0.06 -0.05 1.89 1.96 0.00 0.00 0.00 175.76 179.61 2dd4 h GLN 98 N 5.72 0.72 0.00 0.00 1.08 -1.69 -0.36 115.11 120.58 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 -0.92 116.57 118.12 2dd4 h LYS 99 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2dd4 h LYS 99 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2dd4 h LYS 99 CO -0.18 0.01 -0.24 -0.25 -2.00 0.00 0.00 179.45 176.80 2dd4 n ASP 100 N -3.17 0.35 -0.11 7.07 8.00 -0.15 -4.10 116.55 124.45 2dd4 n ASP 100 Ca -0.02 -0.09 -0.21 0.00 0.71 0.00 0.00 54.79 55.19 2dd4 n ASP 100 Cb 0.16 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.35 1.98 -4.24 0.64 4.77 -0.47 -4.85 117.00 113.48 2dd4 n LEU 101 Ca 0.08 0.15 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 2dd4 n LEU 101 Cb 0.33 -0.67 -0.13 0.00 -2.33 0.00 0.00 43.42 40.61 2dd4 n LEU 101 CO 0.30 0.58 -0.34 0.26 -1.33 0.00 0.00 177.39 176.85 2dd4 s TRP 102 N -2.40 3.16 0.49 -1.77 0.52 -0.50 -5.00 118.94 113.43 2dd4 s TRP 102 Ca -0.30 -1.45 0.23 0.00 0.02 0.00 0.00 56.10 54.61 2dd4 s TRP 102 Cb 0.10 -2.15 1.29 0.00 -1.15 0.00 0.00 33.47 31.57 2dd4 s TRP 102 CO 0.41 -0.70 1.93 -1.35 0.02 0.00 0.00 176.95 177.26 2dd4 h PRO 103 N 8.10 0.15 -0.00 4.98 0.11 -1.87 -1.72 132.00 141.74 2dd4 h PRO 103 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2dd4 h PRO 103 Cb 1.10 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2dd4 h PRO 103 CO 0.58 0.10 -0.19 -0.85 -0.21 0.00 0.00 178.00 177.42 2dd4 n GLU 104 N -4.39 0.41 -1.65 1.05 0.00 -1.26 -4.93 120.64 109.87 2dd4 n GLU 104 Ca 0.14 -0.16 -0.46 0.00 0.00 0.00 0.00 57.16 56.68 2dd4 n GLU 104 Cb 0.68 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.16 1.98 -2.53 -1.84 9.36 -0.65 -4.90 117.16 117.42 2dd4 n TYR 105 Ca 0.11 0.46 -0.41 0.00 3.32 0.00 0.00 57.90 61.38 2dd4 n TYR 105 Cb 0.31 -2.43 -0.04 0.00 -0.63 0.00 0.00 39.34 36.54 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 0.37 7.32 0.35 2.98 0.15 -1.26 -4.91 113.70 118.70 2dd4 s SER 106 Ca 0.72 2.13 0.26 0.00 0.70 0.00 0.00 55.95 59.77 2dd4 s SER 106 Cb -0.71 -2.61 1.21 0.00 -1.71 0.00 0.00 66.02 62.19 2dd4 s SER 106 CO 0.48 -0.14 1.79 0.44 1.20 0.00 0.00 173.24 177.01 2dd4 h ASP 107 N 4.50 0.00 -0.17 5.45 3.32 -1.99 -1.86 116.42 125.68 2dd4 h ASP 107 Ca -0.45 0.00 -0.03 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 0.70 0.00 0.02 0.74 -1.72 0.00 0.00 179.24 178.98 2dd4 h THR 108 N 0.00 1.15 -1.93 0.35 2.02 -2.01 -2.47 112.91 110.02 2dd4 h THR 108 Ca 0.00 -0.56 -0.69 0.00 0.77 0.00 0.00 66.41 65.93 2dd4 h THR 108 Cb 0.26 0.93 -0.34 0.00 -1.74 0.00 0.00 68.15 67.26 2dd4 h THR 108 CO 0.00 0.19 0.23 0.49 0.37 0.00 0.00 175.52 176.81 2dd4 n PHE 109 N -4.35 3.25 0.29 3.16 3.72 -0.70 -4.84 117.46 117.99 2dd4 n PHE 109 Ca 0.01 -2.87 0.19 0.00 -0.05 0.00 0.00 57.45 54.73 2dd4 n PHE 109 Cb 0.19 -0.73 1.00 0.00 -0.94 0.00 0.00 39.48 38.99 2dd4 n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dd4 h ALA 110 N 3.07 1.37 -0.02 4.37 0.00 -1.55 -2.86 119.26 123.65 2dd4 h ALA 110 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2dd4 h ALA 110 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dd4 h ALA 110 CO 1.12 -0.14 -0.26 0.09 0.00 0.00 0.00 179.25 180.06 2dd4 n ASN 111 N -3.39 2.14 -4.76 0.00 3.02 -1.26 -4.93 115.26 106.07 2dd4 n ASN 111 Ca -0.02 -1.58 -0.39 0.00 -0.03 0.00 0.00 54.58 52.56 2dd4 n ASN 111 Cb 0.19 0.24 0.01 0.00 -0.61 0.00 0.00 39.78 39.61 2dd4 n ASN 111 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dd4 s ASP 112 N -2.29 5.94 0.27 6.41 1.01 -1.08 -4.95 116.67 121.98 2dd4 s ASP 112 Ca 0.24 2.79 0.03 0.00 0.71 0.00 0.00 52.55 56.32 2dd4 s ASP 112 Cb 0.19 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2dd4 s ASP 112 CO 0.46 -1.12 0.23 0.42 0.21 0.00 0.00 175.17 175.37 2dd4 s THR 113 N -1.25 0.00 -0.03 -1.27 -4.23 -1.26 -1.90 115.64 105.70 2dd4 s THR 113 Ca 0.61 -1.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2dd4 s THR 113 Cb -0.41 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2dd4 s THR 113 CO 0.52 0.00 0.03 -0.22 -0.54 0.00 0.00 174.62 174.40 2dd4 s LEU 114 N -3.27 0.95 -0.10 4.79 0.20 -0.03 -4.80 118.68 116.42 2dd4 s LEU 114 Ca 0.39 0.03 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2dd4 s LEU 114 Cb 0.04 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.66 2dd4 s LEU 114 CO 0.20 -0.14 -0.18 -0.70 -0.29 0.00 0.00 176.35 175.24 2dd4 s GLU 115 N 1.24 3.02 0.20 1.98 2.12 -1.26 -0.28 118.70 125.73 2dd4 s GLU 115 Ca -0.07 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.33 2dd4 s GLU 115 Cb -0.13 -2.43 0.02 0.00 0.26 0.00 0.00 34.13 31.85 2dd4 s GLU 115 CO -0.03 0.30 0.49 -0.08 -0.54 0.00 0.00 175.26 175.40 2dd4 s THR 116 N 0.09 0.03 -0.11 -1.70 -1.32 -0.77 -4.97 115.64 106.88 2dd4 s THR 116 Ca -0.08 -1.00 -0.05 0.00 -1.21 0.00 0.00 61.69 59.35 2dd4 s THR 116 Cb -0.15 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 2dd4 s THR 116 CO 0.05 -0.12 0.07 -1.61 -2.21 0.00 0.00 174.62 170.80 2dd4 s GLU 117 N -3.92 3.28 -0.03 7.08 2.02 -1.26 -0.61 118.70 125.26 2dd4 s GLU 117 Ca 0.13 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.85 2dd4 s GLU 117 Cb -0.01 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2dd4 s GLU 117 CO 0.00 0.70 -0.01 0.42 0.02 0.00 0.00 175.26 176.39 2dd4 s ILE 118 N -0.84 0.26 0.57 -1.63 -1.09 -0.32 -4.92 121.20 113.23 2dd4 s ILE 118 Ca 0.13 0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.38 2dd4 s ILE 118 Cb -0.12 -0.32 -0.05 0.00 -1.58 0.00 0.00 42.46 40.40 2dd4 s ILE 118 CO 0.03 0.15 1.09 -2.16 -1.23 0.00 0.00 174.94 172.81 2dd4 s PRO 119 N 0.80 3.33 0.42 2.79 0.04 -1.26 -1.72 135.00 139.40 2dd4 s PRO 119 Ca -0.08 1.41 0.24 0.00 0.04 0.00 0.00 61.00 62.60 2dd4 s PRO 119 Cb -0.12 -2.02 1.26 0.00 0.04 0.00 0.00 34.50 33.66 2dd4 s PRO 119 CO -0.01 -0.83 1.70 1.49 0.04 0.00 0.00 177.00 179.40 2dd4 h GLU 120 N 0.85 0.24 -0.16 4.56 4.81 -1.23 -2.03 114.58 121.61 2dd4 h GLU 120 Ca -0.48 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2dd4 h GLU 120 Cb 1.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2dd4 h GLU 120 CO 0.57 0.16 0.22 0.07 -0.73 0.00 0.00 179.01 179.29 2dd4 h ARG 121 N 0.24 0.00 -0.01 1.92 0.11 -1.91 -1.14 114.38 113.59 2dd4 h ARG 121 Ca 0.69 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.77 2dd4 h ARG 121 Cb 2.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.08 2dd4 h ARG 121 CO -0.35 0.00 -0.23 0.66 0.10 0.00 0.00 179.97 180.16 2dd4 n TYR 122 N -3.61 0.00 -3.96 4.08 4.01 -0.76 -4.92 117.16 112.00 2dd4 n TYR 122 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 2dd4 n TYR 122 Cb 0.33 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.38 4.24 -0.03 7.72 1.43 -0.43 -0.09 118.68 129.15 2dd4 s LEU 123 Ca 0.26 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2dd4 s LEU 123 Cb 0.19 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 44.06 2dd4 s LEU 123 CO 0.48 0.31 0.10 -1.83 0.23 0.00 0.00 176.35 175.64 2dd4 s GLU 124 N -1.60 0.20 0.22 1.70 -1.05 -1.02 -4.93 118.70 112.21 2dd4 s GLU 124 Ca 0.22 0.00 -0.32 0.00 -0.15 0.00 0.00 54.97 54.73 2dd4 s GLU 124 Cb -0.12 0.09 -0.14 0.00 -0.44 0.00 0.00 34.13 33.51 2dd4 s GLU 124 CO 0.13 -0.03 1.28 1.17 0.95 0.00 0.00 175.26 178.75 2dd4 n LYS 125 N 2.66 1.63 0.00 -4.83 4.81 -1.26 -1.00 118.16 120.17 2dd4 n LYS 125 Ca -0.15 0.58 0.10 0.00 -0.87 0.00 0.00 58.31 57.97 2dd4 n LYS 125 Cb 0.58 -2.15 0.09 0.00 0.02 0.00 0.00 35.03 33.57 2dd4 n LYS 125 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57